A0A077ZBC0_TRITR Loading...

beta-mannosidase

AlphaFold DB , UniProt , Accession A0A077ZBC0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,615 aa.

						>A0A077ZBC0_TRITR|A0A077ZBC0
MFTILGDMLKAVRYVVTLCMPVIFFARFHLPLQERSVDVLPSNLGVIDQHFTSQIIQYNLSNLNWKFQNSNQSYTGSARIPSCIHIDLLACGLIPDPYVGDNDVRLRWVALDNWTYSTTFRLQSPSLVHHKKKKKLLFFYGLDTIAQISLNGILLKRAENMHLSSTVDLSNVLTAGINRLEIAFASPVLQAKKLSDEYELAYGYDIPPKCPLAIQNGDCHVNFLRKMASSFSWDWAPSFPTVGIYKAASLLLFDCCIIREFSVLPKLNASDQMWRLHVQFELNCASSTNVTATVTLESTLNWTWQSPVTAGINQLDQVFTIPDISVERWWPYGYGKQRLYQVRGRIDCTIESDIKTIHIGFRTVTLSQLPAPAGNLFYFEVNGVPVFLKGANWVPVDSFLPRVSNDRVQFLLESSQQANMNCLRVWGGGAYESDFFYEEADRRGILIWQDLMFAVALYPVNKAFLESVGQEVAFQLGRLKHHPSIFVWSANNENELGINHWFHGTANKSTYQSDYLTLYRDLIGNIVSKVDQQSRPFVLSSPSNGELTIKEGGISSNPNSELYGDMHYYTVRDMWISYIHPVARCISEFGFQSLPFVETLQTAGFKDYDFRFNSQSMLHRQHHPTAHKSMAFNVKAHFRLIEYDDGKLTTSSRLVASKLWRWVFLTQLYQAIAYKTMVEHWRRWRSRFDGSGRGHTMCTLYWQLNDVWQAPSWSTIDYNLKWKIAHYYAQRFFAPLLLSAECYPNHSCDIYAISDLVKPVKNIRLTVQFLKWGSFQSECSLHTTLPIVQPLSAHVVFNFDKTTCDLRNFDILSLHLQGDENDATNVHLFSDLRNVSAEKLGNIESVQVDVGQQERHFQVSLSASQPVAFVWLDVANVTGYFSDNGFIMLQSKVTVTFYAKNVNDLNVIKDRLTVLTLSDVYNGAAMVVQHYNSISFLDVVNSWNEEDVVSWLRGLDDVVTPYLQVFTSSSIDGRKLLLLSSVDLIDMGITNLHALRTFINAIQLLINLCFEIDSENLQCIALQLSAKSRNLMHDLRCLVTPKGSKRLEWEVLPNSILSELSCLAEQTKKMVSWLDRSPFSADNSYHQIRDTILHLVVRIIQIIRSSCRNVGDTSRNCTQLCAICDRIVEESRDPLILQTAYLENVIVKRNSLQDELGFNIEAPYKGMHAISEVKFRSPADFCGRLMSGDEIVQVNEHTVIGWQLNFISELLLSCETLEVSLLLKKRPHQHDGIVKSLTANIKYPTTVDVPPTLTIHPLKKRRRSSSLGVLHVSFAELSLKHNDTEHHTDEWKNSIPPNCRQVDARSLSTSNSLMKPFDRRRATFSVDELREAHSFALNGGVPWRKRNSALIEEASSTSDLSQLNLDLFIEQYNECHRQSCVVERVPFIWDQAIYAEVELADHTSILEQGIAVDSFSSPEWHLSDKSVQLYQDHSSGNGEISNQNFKEGREGKCLSEAERSCSPSAADVESPRLFSGQTMPSDDECSSSMSMSFQSSCTTPLYPRSHSKLRKFFGESFDFPEARWYFEAKNCSAPVLSPPKVYAGVTLEGWAYQAQIDCKRSRHSNHKWVKRWLVLKGFFLYVYLNSESYQPEMVIRLSNCRVSPPGPELKTRKIK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	41.6	Very low	203 Å²	203	123.5 Å²	123.5	100%	1	66%	0.655	S	S	*	*				0	-60.1	0	-84.7	176.8	179.2	0	0	112.5	T3 I4	M1-T3 PolarHBondContact O-N 2.95Å; M1-I4 PolarHBondContact O-N 2.91Å
2	F	38.2	Very low	41.1	Very low	204 Å²	204	122.6 Å²	122.6	90%	0.895	66%	0.657	S	S	*	*	H	α-helix	trans	-53.4	-28.7	-177.9	-88.1	-84.3	0	0	0	115.7	I4	F2-I4 VanDerWaalsContact C-N 3.34Å; F2-I4 PolarHBondContact O-N 2.85Å
3	T	46	Very low	40.5	Very low	116 Å²	116	129.5 Å²	129.5	71%	0.712	67%	0.668	S	S	*	*	H	α-helix	trans	-68.1	-24.1	177	-4.1	0	0	0	0	114.9	M1	M1-T3 PolarHBondContact O-N 2.95Å
4	I	47.8	Very low	40.2	Very low	119 Å²	119	133.2 Å²	133.2	61%	0.61	67%	0.671	S	S	*	*	H	α-helix	trans	-87	-29.9	-171.9	-63.9	174.9	0	0	0	112	M1 F2 G6	M1-I4 PolarHBondContact O-N 2.91Å; F2-I4 VanDerWaalsContact C-N 3.34Å; F2-I4 PolarHBondContact O-N 2.85Å; I4-G6 VanDerWaalsContact C-N 3.27Å; I4-G6 PolarHBondContact O-N 3.25Å
5	L	41.4	Very low	39.7	Very low	123 Å²	123	132.9 Å²	132.9	64%	0.644	68%	0.678	S	S	*	*	H	α-helix	trans	-68.7	-25.9	171.4	-102.9	69.6	0	0	0	112.8	D7 L9	L5-D7 VanDerWaalsContact C-N 3.34Å; L5-D7 PolarHBondContact O-N 3.09Å; L5-L9 PolarHBondContact O-N 2.83Å
6	G	45.3	Very low	39.1	Very low	38 Å²	38	132.1 Å²	132.1	39%	0.392	68%	0.682	S	S	.	*	H	α-helix	trans	-67	-29	-175.2	0	0	0	0	0	114.8	I4	I4-G6 VanDerWaalsContact C-N 3.27Å; I4-G6 PolarHBondContact O-N 3.25Å
7	D	44.9	Very low	38.7	Very low	93 Å²	93	131.2 Å²	131.2	50%	0.497	68%	0.684	S	S	.	*	H	α-helix	trans	-102.4	-26.6	-177.9	-66.3	-44.2	0	0	0	113.3	L5 L9 K10 A11	L5-D7 VanDerWaalsContact C-N 3.34Å; L5-D7 PolarHBondContact O-N 3.09Å; D7-L9 PolarHBondContact O-N 2.87Å; D7-K10 WeakPolarHBondContact O-CB 3.5Å; D7-K10 PolarHBondContact O-N 3.44Å; D7-K10 WeakPolarHBondContact OD1-CD 3.41Å; D7-K10 WeakPolarHBondContact OD1-CE 3.29Å; D7-K10 IonicContact OD1-NZ 3.66Å; D7-K10 PolarHBondContact OD1-NZ 3.07Å; D7-A11 PolarHBondContact O-N 2.92Å; D7-A11 VanDerWaalsContact O-N 3.14Å
8	M	37.8	Very low	38.3	Very low	134 Å²	134	130.7 Å²	130.7	66%	0.66	68%	0.681	S	S	*	*	H	α-helix	trans	-62.2	-33.1	168.4	-65.4	-167	98.2	0	0	111.9	K10 A11 V12	M8-K10 VanDerWaalsContact C-N 3.26Å; M8-K10 PolarHBondContact O-N 2.99Å; M8-A11 PolarHBondContact O-N 2.9Å; M8-V12 PolarHBondContact O-N 3.27Å
9	L	39.4	Very low	37.8	Very low	130 Å²	130	130.2 Å²	130.2	68%	0.681	69%	0.689	S	S	*	*	H	α-helix	trans	-73.6	-9.1	172.9	-84.8	164.9	0	0	0	114.7	L5 D7	L5-L9 PolarHBondContact O-N 2.83Å; D7-L9 PolarHBondContact O-N 2.87Å
10	K	40.1	Very low	37.3	Very low	135 Å²	135	130.1 Å²	130.1	59%	0.587	69%	0.686	S	S	*	*	H	α-helix	trans	-90.1	-38.3	168.9	-64.5	173.5	-167	158	0	111.6	D7 M8 V12 R13	D7-K10 WeakPolarHBondContact O-CB 3.5Å; D7-K10 PolarHBondContact O-N 3.44Å; D7-K10 WeakPolarHBondContact OD1-CD 3.41Å; D7-K10 WeakPolarHBondContact OD1-CE 3.29Å; D7-K10 IonicContact OD1-NZ 3.66Å; D7-K10 PolarHBondContact OD1-NZ 3.07Å; M8-K10 VanDerWaalsContact C-N 3.26Å; M8-K10 PolarHBondContact O-N 2.99Å; K10-V12 PolarHBondContact O-N 2.84Å; K10-R13 PolarHBondContact O-N 2.78Å
11	A	38.8	Very low	37.1	Very low	64 Å²	64	126.8 Å²	126.8	53%	0.529	67%	0.672	S	S	.	*	H	α-helix	trans	-61.6	-38.6	-179.3	0	0	0	0	0	113.3	D7 M8 R13 Y14	D7-A11 PolarHBondContact O-N 2.92Å; D7-A11 VanDerWaalsContact O-N 3.14Å; M8-A11 PolarHBondContact O-N 2.9Å; A11-R13 PolarHBondContact O-N 2.89Å; A11-Y14 PolarHBondContact O-N 3.3Å
12	V	35.8	Very low	36.9	Very low	112 Å²	112	122.1 Å²	122.1	68%	0.679	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-70.6	-13	-179.1	-179.8	0	0	0	0	113	M8 K10	M8-V12 PolarHBondContact O-N 3.27Å; K10-V12 PolarHBondContact O-N 2.84Å
13	R	34.1	Very low	36.4	Very low	212 Å²	212	118.1 Å²	118.1	80%	0.8	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-85.8	-0.9	175.7	-99.9	-177	173.6	179.6	-1.7	115	K10 A11	K10-R13 PolarHBondContact O-N 2.78Å; A11-R13 PolarHBondContact O-N 2.89Å
14	Y	35.5	Very low	35.7	Very low	182 Å²	182	121.7 Å²	121.7	71%	0.714	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-102.9	7	-177.9	-115.7	-86.1	0	0	0	114.8	A11	A11-Y14 PolarHBondContact O-N 3.3Å
15	V	32.8	Very low	34.7	Very low	128 Å²	128	121.3 Å²	121.3	78%	0.776	64%	0.641	S	S	*	*	S	Bend	trans	-119	14.2	-179.4	-165.3	0	0	0	0	111.6
16	V	30.6	Very low	34	Very low	121 Å²	121	119.1 Å²	119.1	73%	0.733	64%	0.641	S	S	*	*	S	Bend	trans	-136.2	60.9	175.8	-167.6	0	0	0	0	108.8
17	T	31.9	Very low	33.1	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	66%	0.664	S	S	*	*			trans	-143.4	16.7	178.7	-39.8	0	0	0	0	112
18	L	32.3	Very low	32.3	Very low	122 Å²	122	132.3 Å²	132.3	64%	0.639	68%	0.677	S	S	*	*	S	Bend	trans	-125.7	134.8	163.9	-78.3	160.5	0	0	0	106.5
19	C	28.1	Very low	31.7	Very low	121 Å²	121	135.6 Å²	135.6	82%	0.818	69%	0.691	S	S	*	*	S	Bend	trans	66.8	143.8	-172	-56.4	0	0	0	0	117.1
20	M	27.7	Very low	30.9	Very low	128 Å²	128	135.1 Å²	135.1	63%	0.631	69%	0.688	S	S	*	*			trans	70.3	143.9	169.8	-70.8	-60.7	174.2	0	0	116.6	Q852	M20-Q852 PolarHBondContact SD-OE1 2.82Å; M20-Q852 VanDerWaalsContact SD-OE1 3.4Å
21	P	33.5	Very low	30.1	Very low	61 Å²	61	133.6 Å²	133.6	40%	0.396	69%	0.692	S	S	.	*				-131.1	-168.9	-101.3	34	-15	0	0	0	114.6	I23	P21-I23 PolarHBondContact O-N 3.44Å
22	V	32	Very low	29.5	Very low	104 Å²	104	137.6 Å²	137.6	63%	0.63	70%	0.704	S	S	*	*			trans	-58.9	91.5	176.8	-177.8	0	0	0	0	111.2	Q853	V22-Q853 PolarHBondContact O-NE2 3.44Å; V22-Q853 PolarHBondContact O-OE1 2.83Å
23	I	28.7	Very low	28.9	Very low	121 Å²	121	140.5 Å²	140.5	62%	0.621	71%	0.71	S	S	*	*			trans	-95.6	89.8	170	-60.6	168	0	0	0	107.9	P21 Q853	P21-I23 PolarHBondContact O-N 3.44Å; I23-Q853 VanDerWaalsContact CG1-NE2 3.26Å
24	F	30.5	Very low	28.4	Very low	190 Å²	190	137.5 Å²	137.5	83%	0.833	71%	0.705	S	S	*	*			trans	-150.3	28.7	164.3	-109.4	-66.7	0	0	0	114.7
25	F	28.4	Very low	27.9	Very low	111 Å²	111	137.8 Å²	137.8	49%	0.487	71%	0.705	S	S	.	*			trans	-93.8	163.4	155.4	-89.9	-94	0	0	0	110.5
26	A	26	Very low	27.5	Very low	78 Å²	78	137 Å²	137	65%	0.645	71%	0.705	S	S	*	*	S	Bend	trans	66.6	44.8	177.5	0	0	0	0	0	118
27	R	25.2	Very low	27.3	Very low	230 Å²	230	133.5 Å²	133.5	87%	0.868	68%	0.683	S	S	*	*			trans	-173.9	90.7	139.4	-106	171.4	-170.5	-161.5	3.9	112.8
28	F	28.1	Very low	27	Very low	177 Å²	177	134.2 Å²	134.2	78%	0.776	68%	0.683	S	S	*	*			trans	-172.2	81.2	140.8	-95.4	-57.1	0	0	0	110.8	L30	F28-L30 HydrophobicContact CD1-CB 4.27Å; F28-L30 HydrophobicContact CD1-CD1 3.76Å; F28-L30 HydrophobicContact CD1-CG 4.01Å; F28-L30 HydrophobicContact CE1-CD1 3.71Å; F28-L30 HydrophobicContact CE1-CG 4.4Å; F28-L30 PolarHBondContact O-N 3.3Å
29	H	25.2	Very low	26.9	Very low	204 Å²	204	134 Å²	134	94%	0.944	69%	0.686	S	S	*	*			trans	-75.6	77.9	148.3	-93.1	-15.6	0	0	0	108.1
30	L	23.2	Very low	27.1	Very low	120 Å²	120	133.5 Å²	133.5	63%	0.628	68%	0.675	S	S	*	*			trans	-123	109.2	154.7	-82.2	177.2	0	0	0	106.4	F28	F28-L30 HydrophobicContact CD1-CB 4.27Å; F28-L30 HydrophobicContact CD1-CD1 3.76Å; F28-L30 HydrophobicContact CD1-CG 4.01Å; F28-L30 HydrophobicContact CE1-CD1 3.71Å; F28-L30 HydrophobicContact CE1-CG 4.4Å; F28-L30 PolarHBondContact O-N 3.3Å
31	P	24.1	Very low	27.3	Very low	103 Å²	103	131.6 Å²	131.6	67%	0.669	67%	0.672	S	S	*	*			trans	-57	143.5	154.9	28.3	-33.2	0	0	0	107.5	Q33	P31-Q33 PolarHBondContact O-N 2.78Å
32	L	25.3	Very low	27.3	Very low	148 Å²	148	134.6 Å²	134.6	78%	0.775	69%	0.694	S	S	*	*			trans	-53.1	118.5	157.5	-86.6	167.9	0	0	0	106.1	E34	L32-E34 PolarHBondContact O-N 2.93Å
33	Q	22.7	Very low	27.1	Very low	173 Å²	173	136 Å²	136	81%	0.808	70%	0.698	S	S	*	*			trans	-62.2	106.5	-171.6	-71.8	-178.2	-55.3	0	0	109.3	P31 R35	P31-Q33 PolarHBondContact O-N 2.78Å; Q33-R35 PolarHBondContact O-N 3.04Å
34	E	25.3	Very low	27	Very low	149 Å²	149	138.2 Å²	138.2	70%	0.696	71%	0.711	S	S	*	*			trans	-50.5	112.3	146.6	-71.8	-164.8	126.4	0	0	105.9	L32 S36	L32-E34 PolarHBondContact O-N 2.93Å; E34-S36 PolarHBondContact O-N 3.47Å
35	R	25.1	Very low	26.7	Very low	188 Å²	188	132.4 Å²	132.4	71%	0.709	71%	0.705	S	S	*	*			trans	-54.2	119.8	165	-77.5	-179.7	171	177.5	-2.6	105.8	Q33 V37	Q33-R35 PolarHBondContact O-N 3.04Å; R35-V37 WeakPolarHBondContact O-CG2 3.49Å; R35-V37 PolarHBondContact O-N 3.02Å
36	S	22.7	Very low	26.7	Very low	111 Å²	111	133.8 Å²	133.8	78%	0.776	72%	0.722	S	S	*	*			trans	-31.5	95.6	-175.4	51.6	0	0	0	0	112.5	E34 D38	E34-S36 PolarHBondContact O-N 3.47Å; S36-D38 PolarHBondContact O-N 2.86Å
37	V	27.7	Very low	26.9	Very low	47 Å²	47	137.8 Å²	137.8	29%	0.285	73%	0.73	S	S	.	*			trans	-78.9	115.4	174.8	-178.7	0	0	0	0	105.7	R35 V39 N59	R35-V37 WeakPolarHBondContact O-CG2 3.49Å; R35-V37 PolarHBondContact O-N 3.02Å; V37-V39 PolarHBondContact O-N 2.83Å; V37-N59 HydrophobicContact CG1-CB 4.49Å
38	D	25.8	Very low	27	Very low	133 Å²	133	132.8 Å²	132.8	71%	0.711	72%	0.721	S	S	*	*			trans	-54.7	111.9	-176.9	-74.8	-52.1	0	0	0	110.7	S36 L40	S36-D38 PolarHBondContact O-N 2.86Å; D38-L40 PolarHBondContact O-N 2.95Å; D38-L40 VanDerWaalsContact O-N 3.13Å
39	V	29.2	Very low	26.9	Very low	116 Å²	116	131.8 Å²	131.8	70%	0.703	72%	0.719	S	S	*	*			trans	-66.4	112.7	178.5	177	0	0	0	0	107.5	V37 P41	V37-V39 PolarHBondContact O-N 2.83Å; V39-P41 WeakPolarHBondContact O-CD 3.44Å; V39-P41 WeakPolarHBondContact O-CG 3.32Å; V39-P41 VanDerWaalsContact O-N 3.1Å
40	L	33	Very low	27.1	Very low	112 Å²	112	130.1 Å²	130.1	59%	0.586	71%	0.711	S	S	*	*			trans	-60.8	107.1	172.7	-103.2	166.1	0	0	0	109.8	D38	D38-L40 PolarHBondContact O-N 2.95Å; D38-L40 VanDerWaalsContact O-N 3.13Å
41	P	32.3	Very low	27.8	Very low	88 Å²	88	131.3 Å²	131.3	57%	0.571	71%	0.712	S	S	*	*			trans	-78.8	143.6	172.7	-1.9	23.4	0	0	0	107.5	V39 N43	V39-P41 WeakPolarHBondContact O-CD 3.44Å; V39-P41 WeakPolarHBondContact O-CG 3.32Å; V39-P41 VanDerWaalsContact O-N 3.1Å; P41-N43 PolarHBondContact O-N 2.84Å; P41-N43 VanDerWaalsContact O-N 3.1Å
42	S	32.5	Very low	28.8	Very low	123 Å²	123	131.3 Å²	131.3	86%	0.86	71%	0.71	S	S	*	*	S	Bend	trans	-71.5	-2.7	-179.2	53.2	0	0	0	0	114.2
43	N	27.7	Very low	30.2	Very low	133 Å²	133	127.7 Å²	127.7	71%	0.711	70%	0.696	S	S	*	*	S	Bend	trans	-158.9	166	176.5	-92.3	-52.9	0	0	0	112.5	P41	P41-N43 PolarHBondContact O-N 2.84Å; P41-N43 VanDerWaalsContact O-N 3.1Å
44	L	26.4	Very low	32.5	Very low	169 Å²	169	125 Å²	125	89%	0.885	68%	0.684	S	S	*	*			trans	71.9	148.3	174.2	-61.5	160	0	0	0	115.7
45	G	24.8	Very low	35.2	Very low	68 Å²	68	120 Å²	120	70%	0.701	66%	0.661	S	S	*	*			trans	-148.7	156.4	178.2	0	0	0	0	0	110.8
46	V	29	Very low	38.1	Very low	139 Å²	139	112.5 Å²	112.5	84%	0.842	64%	0.635	S	S	*	*			trans	-135.9	131.2	-179.9	178.8	0	0	0	0	110
47	I	29.7	Very low	41	Very low	162 Å²	162	112.2 Å²	112.2	83%	0.831	62%	0.622	S	S	*	*			trans	9.9	132.2	158.2	-55.1	177.3	0	0	0	118.9
48	D	26.8	Very low	43.8	Very low	125 Å²	125	112.6 Å²	112.6	67%	0.668	62%	0.618	S	S	*	*			trans	-74	133.9	-178.8	-169.2	-0.1	0	0	0	114.6
49	Q	26.7	Very low	46.8	Very low	156 Å²	156	108.3 Å²	108.3	73%	0.729	60%	0.596	S	S	*	*			trans	177.8	145.1	132.8	-94.6	156.1	53.1	0	0	113.2
50	H	30.2	Very low	49.7	Very low	169 Å²	169	103.2 Å²	103.2	78%	0.782	56%	0.564	S	S	*	*	S	Bend	trans	86.2	-3.1	167.6	-63.3	-50.7	0	0	0	123.2	T52	H50-T52 PolarHBondContact O-N 2.84Å; H50-T52 VanDerWaalsContact O-N 3.16Å
51	F	37.4	Very low	52.1	Low	146 Å²	146	99.4 Å²	99.4	64%	0.64	55%	0.547	S	S	*	.			trans	-83.5	24.1	-174.8	-94.6	-82.9	0	0	0	118.2	S53	F51-S53 PolarHBondContact O-N 2.82Å
52	T	43.6	Very low	54.6	Low	103 Å²	103	100.5 Å²	100.5	63%	0.632	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.3	-166.9	39.1	0	0	0	0	117.7	H50 V128	H50-T52 PolarHBondContact O-N 2.84Å; H50-T52 VanDerWaalsContact O-N 3.16Å; T52-V128 HydrophobicContact CG2-CG2 4.15Å
53	S	55.9	Low	57.4	Low	71 Å²	71	96 Å²	96	50%	0.497	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	18.4	-165.7	55.8	0	0	0	0	116.3	F51	F51-S53 PolarHBondContact O-N 2.82Å
54	Q	70.9	Confident	60.5	Low	118 Å²	118	96.7 Å²	96.7	55%	0.551	52%	0.518	S	S	*	.			trans	-115.8	147.9	-177.3	-64.1	-172.9	1.3	0	0	113.2	K132	Q54-K132 WeakPolarHBondContact O-CE 3.3Å; Q54-K132 PolarHBondContact O-NZ 2.87Å
55	I	82.5	Confident	63.9	Low	42 Å²	42	88.8 Å²	88.8	22%	0.215	48%	0.476	C	S	.	.			trans	-72.1	130.5	165.1	-63.8	160.3	0	0	0	107.3	F253 I257 E351 D353	I55-F253 HydrophobicContact CG1-CB 4.09Å; I55-F253 HydrophobicContact CG2-CB 4.32Å; I55-I257 HydrophobicContact CD1-CG2 4.2Å; I55-I257 HydrophobicContact CG2-CG2 4Å; I55-E351 HydrophobicContact CD1-CB 4.34Å; I55-E351 HydrophobicContact CG1-CB 4.1Å; I55-E351 HydrophobicContact CG1-CG 4.12Å; I55-D353 HydrophobicContact CD1-CB 3.85Å
56	I	84.8	Confident	67.3	Low	32 Å²	32	91.7 Å²	91.7	16%	0.164	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.8	-174.6	-50.7	177.1	0	0	0	109	Y58 V128 L251 L252	I56-Y58 HydrophobicContact CG2-CD2 4.18Å; I56-Y58 HydrophobicContact CG2-CE1 4.17Å; I56-Y58 HydrophobicContact CG2-CE2 3.57Å; I56-V128 HydrophobicContact CD1-CG1 4.26Å; I56-L251 CarbonylContact O-C 3.6Å; I56-L251 WeakPolarHBondContact O-CA 3.08Å; I56-L252 HydrophobicContact CB-CB 4.35Å; I56-L252 PolarHBondContact N-O 3.42Å; I56-L252 PolarHBondContact O-N 2.02Å
57	Q	85.3	Confident	70.6	Confident	104 Å²	104	85.2 Å²	85.2	49%	0.486	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.1	176.8	173.2	165.6	-18.5	0	0	110.6	L251	Q57-L251 HydrophobicContact CB-CD2 3.49Å; Q57-L251 VanDerWaalsContact CB-CD2 3.49Å; Q57-L251 HydrophobicContact CG-CD2 3.47Å; Q57-L251 VanDerWaalsContact CG-CD2 3.47Å
58	Y	85.6	Confident	73.8	Confident	56 Å²	56	79.7 Å²	79.7	22%	0.22	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.9	170.5	-61.3	-71.4	0	0	0	110.5	I56 H129 S249 L250 L252	I56-Y58 HydrophobicContact CG2-CD2 4.18Å; I56-Y58 HydrophobicContact CG2-CE1 4.17Å; I56-Y58 HydrophobicContact CG2-CE2 3.57Å; Y58-H129 PolarHBondContact OH-CE1 2.8Å; Y58-H129 PolarHBondContact OH-ND1 3.48Å; Y58-S249 CarbonylContact O-C 3.6Å; Y58-S249 VanDerWaalsContact O-CA 3.26Å; Y58-S249 WeakPolarHBondContact O-CA 3.45Å; Y58-L250 HydrophobicContact CD2-CD2 4.42Å; Y58-L250 HydrophobicContact CD2-CG 4.5Å; Y58-L250 PolarHBondContact N-O 3.09Å; Y58-L250 PolarHBondContact O-N 3.02Å; Y58-L252 HydrophobicContact CD2-CD1 3.68Å; Y58-L252 HydrophobicContact CE2-CD1 3.61Å
59	N	87.7	Confident	77.2	Confident	43 Å²	43	73.9 Å²	73.9	23%	0.23	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.2	168.1	-174.8	-7.5	0	0	0	109.5	V37 S61	V37-N59 HydrophobicContact CG1-CB 4.49Å; N59-S61 VanDerWaalsContact C-N 3.31Å; N59-S61 PolarHBondContact O-N 2.76Å; N59-S61 VanDerWaalsContact OD1-CB 3.3Å; N59-S61 WeakPolarHBondContact OD1-CB 3.32Å; N59-S61 PolarHBondContact OD1-N 2.9Å; N59-S61 PolarHBondContact OD1-OG 2.87Å
60	L	90.4	Very high	80.4	Confident	8 Å²	8	70 Å²	70	4%	0.042	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-82.3	-8.3	-175.9	-55.6	177.9	0	0	0	113.3	N62 L63 W65 I80 L137 A248 L250	L60-N62 PolarHBondContact O-N 2.87Å; L60-L63 HydrophobicContact CB-CD1 4.39Å; L60-L63 HydrophobicContact CD2-CD1 3.77Å; L60-L63 PolarHBondContact O-N 3.12Å; L60-W65 HydrophobicContact CB-CZ2 4.43Å; L60-W65 PolarHBondContact O-NE1 3.21Å; L60-I80 HydrophobicContact CB-CD1 4.16Å; L60-L137 HydrophobicContact CD1-CD1 3.32Å; L60-A248 HydrophobicContact CB-CB 4.27Å; L60-A248 WeakPolarHBondContact CB-O 3.43Å; L60-A248 HydrophobicContact CD1-CB 4.03Å; L60-A248 PolarHBondContact N-O 3.27Å; L60-L250 HydrophobicContact CD2-CB 4.14Å
61	S	84.9	Confident	83.4	Confident	33 Å²	33	67.1 Å²	67.1	23%	0.231	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-57.8	-26.3	169.1	-67.9	0	0	0	0	113.5	N59 L63 I80	N59-S61 VanDerWaalsContact C-N 3.31Å; N59-S61 PolarHBondContact O-N 2.76Å; N59-S61 VanDerWaalsContact OD1-CB 3.3Å; N59-S61 WeakPolarHBondContact OD1-CB 3.32Å; N59-S61 PolarHBondContact OD1-N 2.9Å; N59-S61 PolarHBondContact OD1-OG 2.87Å; S61-L63 VanDerWaalsContact C-N 3.31Å; S61-L63 PolarHBondContact O-N 2.88Å; S61-I80 WeakPolarHBondContact CB-O 3.34Å; S61-I80 PolarHBondContact OG-O 3.15Å
62	N	84.6	Confident	86	Confident	110 Å²	110	66.3 Å²	66.3	59%	0.588	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-85.3	1	-178	-64.1	-11	0	0	0	113.6	L60	L60-N62 PolarHBondContact O-N 2.87Å
63	L	89.9	Confident	88.4	Confident	30 Å²	30	65.1 Å²	65.1	16%	0.157	34%	0.344	C	S	.	.	S	Bend	trans	-86.6	149.9	175.8	-61.7	-178.1	0	0	0	111.5	L60 S61 W65 T118 F120	L60-L63 HydrophobicContact CB-CD1 4.39Å; L60-L63 HydrophobicContact CD2-CD1 3.77Å; L60-L63 PolarHBondContact O-N 3.12Å; S61-L63 VanDerWaalsContact C-N 3.31Å; S61-L63 PolarHBondContact O-N 2.88Å; L63-W65 VanDerWaalsContact O-CD1 3.22Å; L63-W65 PolarHBondContact O-N 2.7Å; L63-T118 HydrophobicContact CB-CG2 4.42Å; L63-T118 HydrophobicContact CD1-CG2 3.84Å; L63-F120 HydrophobicContact CD1-CB 4.15Å; L63-F120 HydrophobicContact CD1-CD1 4.24Å; L63-F120 HydrophobicContact CD2-CB 4.09Å
64	N	93.4	Very high	90.3	Very high	147 Å²	147	65.5 Å²	65.5	79%	0.786	34%	0.335	S	S	*	.			trans	-70.6	95	169.7	-84.9	-31.2	0	0	0	109.8	T118	N64-T118 WeakPolarHBondContact O-CB 3.28Å; N64-T118 PolarHBondContact O-OG1 3.17Å
65	W	97	Very high	91.5	Very high	3 Å²	3	63.9 Å²	63.9	1%	0.011	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	148.4	171.5	-71.4	92	0	0	0	111.3	L60 L63 A78 I80 S117 T118 L180 I182 I244	L60-W65 HydrophobicContact CB-CZ2 4.43Å; L60-W65 PolarHBondContact O-NE1 3.21Å; L63-W65 VanDerWaalsContact O-CD1 3.22Å; L63-W65 PolarHBondContact O-N 2.7Å; W65-A78 HydrophobicContact CB-CB 3.85Å; W65-A78 PolarHBondContact O-N 3.28Å; W65-I80 HydrophobicContact CD2-CG2 4.31Å; W65-I80 HydrophobicContact CG-CG2 4.26Å; W65-I80 HydrophobicContact CZ2-CD1 3.8Å; W65-S117 CarbonylContact C-O 3.59Å; W65-S117 WeakPolarHBondContact CA-O 3.42Å; W65-T118 HydrophobicContact CD2-CG2 3.95Å; W65-T118 HydrophobicContact CE3-CG2 3.94Å; W65-T118 HydrophobicContact CH2-CG2 3.67Å; W65-T118 HydrophobicContact CZ2-CG2 3.66Å; W65-T118 HydrophobicContact CZ3-CG2 3.8Å; W65-L180 HydrophobicContact CH2-CD2 3.75Å; W65-L180 HydrophobicContact CH2-CG 4.18Å; W65-L180 HydrophobicContact CZ2-CD2 4.31Å; W65-I182 HydrophobicContact CH2-CD1 3.55Å; W65-I182 HydrophobicContact CZ3-CD1 3.55Å; W65-I244 HydrophobicContact CE3-CD1 4.41Å; W65-I244 HydrophobicContact CH2-CD1 4.1Å; W65-I244 HydrophobicContact CZ3-CD1 4.02Å
66	K	97.6	Very high	92.1	Very high	129 Å²	129	62.8 Å²	62.8	56%	0.561	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	147.7	173	-62.1	-175.5	-179.3	-175	0	109.8	G76 Y116 S117	K66-G76 CarbonylContact C-O 3.59Å; K66-G76 WeakPolarHBondContact CA-O 3.45Å; K66-G76 WeakPolarHBondContact CB-O 3.49Å; K66-Y116 CarbonylContact O-C 3.52Å; K66-Y116 WeakPolarHBondContact O-CA 3.5Å; K66-S117 PolarHBondContact N-O 2.72Å; K66-S117 PolarHBondContact O-N 3.03Å
67	F	97.8	Very high	92.7	Very high	3 Å²	3	65.2 Å²	65.2	1%	0.013	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.2	168	66.5	-95.6	0	0	0	111	T75 G76 S77 A78 I84 D87 L88 C91 L93 W114 T115	F67-T75 VanDerWaalsContact O-CA 3.29Å; F67-T75 WeakPolarHBondContact O-CA 3.3Å; F67-G76 PolarHBondContact N-O 2.95Å; F67-G76 PolarHBondContact O-N 3.39Å; F67-G76 VanDerWaalsContact O-N 3.13Å; F67-S77 WeakPolarHBondContact CE1-O 3.44Å; F67-A78 HydrophobicContact CD1-CB 4.14Å; F67-I84 HydrophobicContact CB-CD1 3.94Å; F67-I84 HydrophobicContact CD1-CD1 4.28Å; F67-I84 HydrophobicContact CD2-CD1 3.63Å; F67-I84 HydrophobicContact CE2-CD1 4.18Å; F67-I84 HydrophobicContact CG-CD1 3.69Å; F67-D87 HydrophobicContact CD1-CB 3.73Å; F67-D87 HydrophobicContact CE1-CB 3.69Å; F67-L88 HydrophobicContact CE2-CD2 3.59Å; F67-L88 HydrophobicContact CE2-CG 4.32Å; F67-L88 HydrophobicContact CZ-CD2 3.87Å; F67-L88 HydrophobicContact CZ-CG 4.4Å; F67-C91 HydrophobicContact CZ-CB 4.41Å; F67-L93 HydrophobicContact CE2-CD1 4.2Å; F67-L93 HydrophobicContact CZ-CD1 3.92Å; F67-W114 HydrophobicContact CD2-CE3 4.17Å; F67-W114 AromaticContact CD2-CZ3 3.9Å; F67-W114 HydrophobicContact CD2-CZ3 3.9Å; F67-W114 HydrophobicContact CE2-CZ3 4.19Å; F67-T115 CarbonylContact C-O 3.6Å; F67-T115 WeakPolarHBondContact CA-O 3.47Å
68	Q	97.5	Very high	93.2	Very high	46 Å²	46	60.7 Å²	60.7	22%	0.215	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.7	167	62.4	-178.3	41.9	0	0	110.3	Y74 T75 W114 T115	Q68-Y74 WeakPolarHBondContact CA-O 3.47Å; Q68-T75 HydrophobicContact CB-CG2 3.83Å; Q68-W114 CarbonylContact O-C 3.57Å; Q68-W114 WeakPolarHBondContact O-CA 3.3Å; Q68-T115 PolarHBondContact N-O 2.64Å; Q68-T115 PolarHBondContact O-N 3.28Å
69	N	97.5	Very high	93.5	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.016	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	175.6	171.7	80.1	-46.2	0	0	0	112.5	N71 Q72 S73 Y74 D112 N113 W114	N69-N71 VanDerWaalsContact C-N 3.32Å; N69-N71 PolarHBondContact ND2-OD1 3.41Å; N69-N71 PolarHBondContact O-N 2.8Å; N69-N71 PolarHBondContact OD1-OD1 2.94Å; N69-Q72 PolarHBondContact O-N 3.37Å; N69-Q72 WeakPolarHBondContact OD1-CA 3.49Å; N69-Q72 PolarHBondContact OD1-N 2.85Å; N69-S73 PolarHBondContact OD1-N 2.96Å; N69-Y74 PolarHBondContact N-O 3.44Å; N69-Y74 PolarHBondContact OD1-N 2.9Å; N69-Y74 PolarHBondContact OD1-O 2.87Å; N69-D112 WeakPolarHBondContact CB-OD2 3.3Å; N69-D112 PolarHBondContact ND2-OD2 3.06Å; N69-N113 CarbonylContact C-O 3.58Å; N69-N113 WeakPolarHBondContact CA-O 3.06Å; N69-W114 HydrophobicContact CB-CD2 4.06Å; N69-W114 HydrophobicContact CB-CE3 3.63Å; N69-W114 HydrophobicContact CB-CH2 3.73Å; N69-W114 HydrophobicContact CB-CZ2 4.13Å; N69-W114 HydrophobicContact CB-CZ3 3.48Å; N69-W114 VanDerWaalsContact CB-CZ3 3.48Å
70	S	94.6	Very high	93.8	Very high	75 Å²	75	66.1 Å²	66.1	52%	0.524	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-37.7	-172.1	62.7	0	0	0	0	115	D112 N113	S70-D112 WeakPolarHBondContact CB-OD1 3.08Å; S70-D112 PolarHBondContact N-OD1 2.91Å; S70-D112 PolarHBondContact OG-OD1 3.35Å; S70-N113 PolarHBondContact N-O 2.63Å
71	N	93.2	Very high	94	Very high	107 Å²	107	68.6 Å²	68.6	57%	0.572	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	4.5	179.7	72.2	10.6	0	0	0	113.7	N69 S73	N69-N71 VanDerWaalsContact C-N 3.32Å; N69-N71 PolarHBondContact ND2-OD1 3.41Å; N69-N71 PolarHBondContact O-N 2.8Å; N69-N71 PolarHBondContact OD1-OD1 2.94Å; N71-S73 PolarHBondContact O-N 3.37Å; N71-S73 VanDerWaalsContact OD1-CB 3.23Å; N71-S73 WeakPolarHBondContact OD1-CB 3.41Å; N71-S73 PolarHBondContact OD1-N 2.86Å; N71-S73 PolarHBondContact OD1-OG 2.86Å
72	Q	91.7	Very high	94.5	Very high	130 Å²	130	67.2 Å²	67.2	61%	0.607	36%	0.357	S	S	*	.	S	Bend	trans	60.2	17.4	-178.4	-53.6	171.1	31.5	0	0	115.3	N69 Y74	N69-Q72 PolarHBondContact O-N 3.37Å; N69-Q72 WeakPolarHBondContact OD1-CA 3.49Å; N69-Q72 PolarHBondContact OD1-N 2.85Å; Q72-Y74 VanDerWaalsContact C-N 3.34Å
73	S	93.9	Very high	95.1	Very high	77 Å²	77	62 Å²	62	54%	0.538	33%	0.33	S	S	.	.	S	Bend	trans	-74.5	-23.9	174.1	75.5	0	0	0	0	113.5	N69 N71	N69-S73 PolarHBondContact OD1-N 2.96Å; N71-S73 PolarHBondContact O-N 3.37Å; N71-S73 VanDerWaalsContact OD1-CB 3.23Å; N71-S73 WeakPolarHBondContact OD1-CB 3.41Å; N71-S73 PolarHBondContact OD1-N 2.86Å; N71-S73 PolarHBondContact OD1-OG 2.86Å
74	Y	95.1	Very high	95.5	Very high	80 Å²	80	60.7 Å²	60.7	31%	0.314	32%	0.322	S	S	.	.	S	Bend	trans	-116.8	114.8	174.1	-69.2	-83.4	0	0	0	109.2	Q68 N69 Q72 L88 L93 W108 W114	Q68-Y74 WeakPolarHBondContact CA-O 3.47Å; N69-Y74 PolarHBondContact N-O 3.44Å; N69-Y74 PolarHBondContact OD1-N 2.9Å; N69-Y74 PolarHBondContact OD1-O 2.87Å; Q72-Y74 VanDerWaalsContact C-N 3.34Å; Y74-L88 HydrophobicContact CD1-CD2 4.48Å; Y74-L93 HydrophobicContact CD1-CB 4.45Å; Y74-L93 HydrophobicContact CD1-CD1 4.43Å; Y74-W108 HydrophobicContact CD1-CH2 4.1Å; Y74-W108 AromaticContact CD2-CH2 3.76Å; Y74-W108 HydrophobicContact CD2-CH2 3.76Å; Y74-W108 AromaticContact CD2-CZ3 3.79Å; Y74-W108 HydrophobicContact CD2-CZ3 3.79Å; Y74-W108 AromaticContact CE1-CH2 3.9Å; Y74-W108 HydrophobicContact CE1-CH2 3.9Å; Y74-W108 HydrophobicContact CE1-CZ2 4.36Å; Y74-W108 AromaticContact CE2-CH2 3.56Å; Y74-W108 HydrophobicContact CE2-CH2 3.56Å; Y74-W108 HydrophobicContact CE2-CZ2 4.33Å; Y74-W108 AromaticContact CE2-CZ3 3.74Å; Y74-W108 HydrophobicContact CE2-CZ3 3.74Å; Y74-W108 HydrophobicContact CG-CH2 4.04Å; Y74-W108 HydrophobicContact CG-CZ3 4.4Å; Y74-W108 AromaticContact CZ-CH2 3.63Å; Y74-W114 HydrophobicContact CG-CH2 4.5Å
75	T	96.2	Very high	95.7	Very high	84 Å²	84	53.8 Å²	53.8	52%	0.515	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.2	175.3	67.8	0	0	0	0	110	F67 Q68	F67-T75 VanDerWaalsContact O-CA 3.29Å; F67-T75 WeakPolarHBondContact O-CA 3.3Å; Q68-T75 HydrophobicContact CB-CG2 3.83Å
76	G	96.2	Very high	95.7	Very high	18 Å²	18	55.5 Å²	55.5	19%	0.186	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	-178.7	178.9	0	0	0	0	0	113.2	K66 F67	K66-G76 CarbonylContact C-O 3.59Å; K66-G76 WeakPolarHBondContact CA-O 3.45Å; K66-G76 WeakPolarHBondContact CB-O 3.49Å; F67-G76 PolarHBondContact N-O 2.95Å; F67-G76 PolarHBondContact O-N 3.39Å; F67-G76 VanDerWaalsContact O-N 3.13Å
77	S	96.4	Very high	95.7	Very high	84 Å²	84	49.5 Å²	49.5	59%	0.587	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.1	171.9	-61.7	0	0	0	0	109.6	F67	F67-S77 WeakPolarHBondContact CE1-O 3.44Å
78	A	95.9	Very high	95.7	Very high	9 Å²	9	49.4 Å²	49.4	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	163.1	173	0	0	0	0	0	110.7	W65 F67 D87 Y116	W65-A78 HydrophobicContact CB-CB 3.85Å; W65-A78 PolarHBondContact O-N 3.28Å; F67-A78 HydrophobicContact CD1-CB 4.14Å; A78-D87 HydrophobicContact CB-CB 4.44Å; A78-Y116 HydrophobicContact CB-CD1 3.85Å; A78-Y116 HydrophobicContact CB-CE1 3.6Å
79	R	92.4	Very high	95.7	Very high	204 Å²	204	49.9 Å²	49.9	77%	0.77	27%	0.272	S	S	*	.			trans	-115.8	165.9	159.6	-64.5	-178	179.9	178.4	0.4	108.9	S82 D87	R79-S82 WeakPolarHBondContact O-CB 3.17Å; R79-D87 PolarHBondContact N-OD1 2.84Å; R79-D87 VanDerWaalsContact N-OD1 3.13Å
80	I	93	Very high	95.6	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.041	30%	0.304	C	S	.	.	S	Bend	trans	-134.6	140.6	163.7	68.6	170.1	0	0	0	109.4	L60 S61 W65 I244 A248	L60-I80 HydrophobicContact CB-CD1 4.16Å; S61-I80 WeakPolarHBondContact CB-O 3.34Å; S61-I80 PolarHBondContact OG-O 3.15Å; W65-I80 HydrophobicContact CD2-CG2 4.31Å; W65-I80 HydrophobicContact CG-CG2 4.26Å; W65-I80 HydrophobicContact CZ2-CD1 3.8Å; I80-I244 HydrophobicContact CB-CB 4.33Å; I80-I244 HydrophobicContact CB-CG2 4.14Å; I80-I244 HydrophobicContact CD1-CG2 4.12Å; I80-I244 HydrophobicContact CG2-CB 3.77Å; I80-I244 HydrophobicContact CG2-CD1 3.91Å; I80-I244 HydrophobicContact CG2-CG1 4.39Å; I80-I244 HydrophobicContact CG2-CG2 4.03Å; I80-A248 HydrophobicContact CD1-CB 3.9Å
81	P	94.4	Very high	95.8	Very high	61 Å²	61	52.6 Å²	52.6	40%	0.396	30%	0.296	S	S	.	.	S	Bend	cis	-64.9	139.8	-3.5	-15.9	30.4	0	0	0	112.7	I244 A247 P401	P81-I244 VanDerWaalsContact CA-O 3.28Å; P81-I244 WeakPolarHBondContact CA-O 3.25Å; P81-A247 HydrophobicContact CG-CB 4.46Å; P81-P401 HydrophobicContact CB-CB 4.39Å
82	S	95.8	Very high	95.9	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.028	30%	0.3	C	S	.	.			trans	-164.4	176.5	178.9	-162.8	0	0	0	0	111.1	R79 D87 I244	R79-S82 WeakPolarHBondContact O-CB 3.17Å; S82-D87 WeakPolarHBondContact CB-OD1 3.3Å; S82-D87 PolarHBondContact OG-OD1 2.84Å; S82-D87 PolarHBondContact OG-OD2 2.66Å; S82-I244 PolarHBondContact N-O 2.9Å; S82-I244 CarbonylContact O-C 3.58Å; S82-I244 PolarHBondContact O-N 3.09Å
83	C	97.2	Very high	96.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.007	29%	0.288	C	S	.	.			trans	-142.7	162	166.6	74.2	0	0	0	0	110.3	H85 I86 D87 Y116 T241 V242	C83-H85 VanDerWaalsContact C-N 3.27Å; C83-H85 PolarHBondContact O-N 2.71Å; C83-H85 VanDerWaalsContact O-N 3.12Å; C83-I86 WeakPolarHBondContact O-CA 3.33Å; C83-I86 WeakPolarHBondContact O-CB 2.91Å; C83-I86 PolarHBondContact O-N 2.8Å; C83-D87 PolarHBondContact O-N 2.86Å; C83-D87 VanDerWaalsContact O-N 3.08Å; C83-Y116 VanDerWaalsContact C-OH 3.31Å; C83-T241 HydrophobicContact CB-CG2 3.89Å; C83-T241 WeakPolarHBondContact CB-OG1 3.29Å; C83-T241 PolarHBondContact SG-OG1 3.2Å; C83-V242 CarbonylContact C-O 3.56Å; C83-V242 WeakPolarHBondContact CA-O 3.37Å; C83-V242 WeakPolarHBondContact CB-O 3.32Å
84	I	98.2	Very high	96.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-32.3	-164.5	-171.6	60.2	0	0	0	114.2	F67 I86 D87 L88 V109 W114 Y116 V242	F67-I84 HydrophobicContact CB-CD1 3.94Å; F67-I84 HydrophobicContact CD1-CD1 4.28Å; F67-I84 HydrophobicContact CD2-CD1 3.63Å; F67-I84 HydrophobicContact CE2-CD1 4.18Å; F67-I84 HydrophobicContact CG-CD1 3.69Å; I84-I86 VanDerWaalsContact C-N 3.33Å; I84-I86 PolarHBondContact O-N 2.04Å; I84-D87 PolarHBondContact O-N 2.76Å; I84-L88 HydrophobicContact CD1-CD1 4.4Å; I84-L88 HydrophobicContact CD1-CG 4.05Å; I84-L88 HydrophobicContact CG1-CD1 3.9Å; I84-L88 HydrophobicContact CG1-CG 4.08Å; I84-L88 VanDerWaalsContact O-CB 3.29Å; I84-L88 WeakPolarHBondContact O-CB 3.29Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.39Å; I84-L88 PolarHBondContact O-N 2.84Å; I84-V109 HydrophobicContact CG1-CG1 4.38Å; I84-V109 HydrophobicContact CG2-CG1 3.75Å; I84-W114 HydrophobicContact CD1-CD2 3.85Å; I84-W114 HydrophobicContact CD1-CE3 3.43Å; I84-W114 VanDerWaalsContact CD1-CE3 3.43Å; I84-W114 HydrophobicContact CD1-CG 4.42Å; I84-W114 HydrophobicContact CD1-CH2 4.37Å; I84-W114 HydrophobicContact CD1-CZ3 3.7Å; I84-W114 HydrophobicContact CG1-CD2 3.51Å; I84-W114 HydrophobicContact CG1-CE3 3.62Å; I84-W114 HydrophobicContact CG1-CG 3.94Å; I84-W114 HydrophobicContact CG1-CH2 4.17Å; I84-W114 HydrophobicContact CG1-CZ2 4.07Å; I84-W114 HydrophobicContact CG1-CZ3 3.93Å; I84-Y116 VanDerWaalsContact CA-OH 3.32Å; I84-Y116 WeakPolarHBondContact CA-OH 2.99Å; I84-Y116 PolarHBondContact N-OH 2.54Å; I84-Y116 VanDerWaalsContact N-OH 3.12Å; I84-V242 HydrophobicContact CB-CG2 4.39Å; I84-V242 HydrophobicContact CG2-CG2 3.81Å; I84-V242 PolarHBondContact N-O 3.49Å
85	H	97.8	Very high	96.4	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-37.9	173.9	-68.5	82.6	0	0	0	112	C83 L89 F239 T241 F399	C83-H85 VanDerWaalsContact C-N 3.27Å; C83-H85 PolarHBondContact O-N 2.71Å; C83-H85 VanDerWaalsContact O-N 3.12Å; H85-L89 VanDerWaalsContact O-CB 3.23Å; H85-L89 WeakPolarHBondContact O-CB 3.4Å; H85-L89 PolarHBondContact O-N 3.09Å; H85-L89 VanDerWaalsContact O-N 3.12Å; H85-F239 AromaticContact CD2-CD1 3.98Å; H85-F239 AromaticContact NE2-CD1 3.77Å; H85-T241 VanDerWaalsContact ND1-CB 3.34Å; H85-T241 WeakPolarHBondContact ND1-CB 3.41Å; H85-T241 PolarHBondContact ND1-OG1 2.86Å; H85-F399 HydrophobicContact CB-CD1 3.93Å; H85-F399 HydrophobicContact CB-CE1 3.39Å; H85-F399 HydrophobicContact CB-CZ 3.83Å; H85-F399 AromaticContact CG-CE1 3.54Å; H85-F399 AromaticContact ND1-CE1 3.91Å
86	I	97.4	Very high	96.4	Very high	38 Å²	38	42.9 Å²	42.9	20%	0.195	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-46.6	174.6	-62	171.6	0	0	0	110.1	C83 I84 L89 A90 F399 P401 R402	C83-I86 WeakPolarHBondContact O-CA 3.33Å; C83-I86 WeakPolarHBondContact O-CB 2.91Å; C83-I86 PolarHBondContact O-N 2.8Å; I84-I86 VanDerWaalsContact C-N 3.33Å; I84-I86 PolarHBondContact O-N 2.04Å; I86-L89 PolarHBondContact O-N 2.82Å; I86-A90 VanDerWaalsContact O-CB 3.31Å; I86-A90 WeakPolarHBondContact O-CB 3.39Å; I86-A90 PolarHBondContact O-N 2.94Å; I86-F399 HydrophobicContact CD1-CB 3.83Å; I86-F399 HydrophobicContact CG1-CB 4.04Å; I86-F399 HydrophobicContact CG1-CG 4.42Å; I86-P401 HydrophobicContact CD1-CB 4.04Å; I86-R402 HydrophobicContact CD1-CB 4.07Å
87	D	97.8	Very high	96.5	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-37.1	-176.7	-61.8	-48.3	0	0	0	112.4	F67 A78 R79 S82 C83 I84 C91 Y116	F67-D87 HydrophobicContact CD1-CB 3.73Å; F67-D87 HydrophobicContact CE1-CB 3.69Å; A78-D87 HydrophobicContact CB-CB 4.44Å; R79-D87 PolarHBondContact N-OD1 2.84Å; R79-D87 VanDerWaalsContact N-OD1 3.13Å; S82-D87 WeakPolarHBondContact CB-OD1 3.3Å; S82-D87 PolarHBondContact OG-OD1 2.84Å; S82-D87 PolarHBondContact OG-OD2 2.66Å; C83-D87 PolarHBondContact O-N 2.86Å; C83-D87 VanDerWaalsContact O-N 3.08Å; I84-D87 PolarHBondContact O-N 2.76Å; D87-C91 WeakPolarHBondContact O-CB 3.48Å; D87-C91 PolarHBondContact O-N 2.76Å; D87-C91 VanDerWaalsContact O-N 3.07Å; D87-C91 PolarHBondContact O-SG 3.22Å; D87-Y116 VanDerWaalsContact OD2-CE1 3.25Å; D87-Y116 WeakPolarHBondContact OD2-CE1 3.38Å; D87-Y116 VanDerWaalsContact OD2-CZ 3.31Å; D87-Y116 PolarHBondContact OD2-OH 2.91Å
88	L	98	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-42.9	172.3	-74.2	170	0	0	0	112.1	F67 Y74 I84 C91 G92 L93 I94 W108 V109 W114	F67-L88 HydrophobicContact CE2-CD2 3.59Å; F67-L88 HydrophobicContact CE2-CG 4.32Å; F67-L88 HydrophobicContact CZ-CD2 3.87Å; F67-L88 HydrophobicContact CZ-CG 4.4Å; Y74-L88 HydrophobicContact CD1-CD2 4.48Å; I84-L88 HydrophobicContact CD1-CD1 4.4Å; I84-L88 HydrophobicContact CD1-CG 4.05Å; I84-L88 HydrophobicContact CG1-CD1 3.9Å; I84-L88 HydrophobicContact CG1-CG 4.08Å; I84-L88 VanDerWaalsContact O-CB 3.29Å; I84-L88 WeakPolarHBondContact O-CB 3.29Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.39Å; I84-L88 PolarHBondContact O-N 2.84Å; L88-C91 PolarHBondContact O-N 3.04Å; L88-G92 PolarHBondContact O-N 2.97Å; L88-L93 HydrophobicContact CD2-CB 3.98Å; L88-L93 HydrophobicContact CD2-CD1 3.89Å; L88-L93 PolarHBondContact O-N 3Å; L88-I94 HydrophobicContact CB-CD1 3.68Å; L88-I94 HydrophobicContact CB-CG1 3.79Å; L88-I94 HydrophobicContact CB-CG2 4.27Å; L88-I94 HydrophobicContact CD1-CD1 4.34Å; L88-I94 HydrophobicContact CD1-CG2 4.34Å; L88-W108 HydrophobicContact CD1-CH2 4.44Å; L88-V109 HydrophobicContact CD1-CB 4.45Å; L88-V109 HydrophobicContact CD1-CG1 3.7Å; L88-V109 HydrophobicContact CD1-CG2 3.82Å; L88-W114 HydrophobicContact CD1-CH2 3.79Å; L88-W114 HydrophobicContact CD1-CZ2 4.06Å; L88-W114 HydrophobicContact CD1-CZ3 4.49Å; L88-W114 HydrophobicContact CD2-CH2 3.93Å; L88-W114 HydrophobicContact CD2-CZ3 4.16Å; L88-W114 HydrophobicContact CG-CH2 4.29Å
89	L	96.9	Very high	96.5	Very high	56 Å²	56	40.3 Å²	40.3	29%	0.293	24%	0.239	S	C	.	.	H	α-helix	trans	-65.1	-44.1	177.3	178.9	61.3	0	0	0	111	H85 I86 C91 G92 I94 D96	H85-L89 VanDerWaalsContact O-CB 3.23Å; H85-L89 WeakPolarHBondContact O-CB 3.4Å; H85-L89 PolarHBondContact O-N 3.09Å; H85-L89 VanDerWaalsContact O-N 3.12Å; I86-L89 PolarHBondContact O-N 2.82Å; L89-C91 PolarHBondContact O-N 2.86Å; L89-G92 PolarHBondContact O-N 3.02Å; L89-I94 HydrophobicContact CB-CD1 4.39Å; L89-I94 HydrophobicContact CB-CG1 4.14Å; L89-D96 HydrophobicContact CD1-CB 4.43Å
90	A	96.6	Very high	96.6	Very high	85 Å²	85	32.1 Å²	32.1	70%	0.702	22%	0.217	S	C	*	.	H	α-helix	trans	-64.4	-26.3	176.2	0	0	0	0	0	113.1	I86	I86-A90 VanDerWaalsContact O-CB 3.31Å; I86-A90 WeakPolarHBondContact O-CB 3.39Å; I86-A90 PolarHBondContact O-N 2.94Å
91	C	97	Very high	96.7	Very high	51 Å²	51	34.2 Å²	34.2	35%	0.345	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.8	171.1	-67.6	0	0	0	0	114	F67 D87 L88 L89 L93	F67-C91 HydrophobicContact CZ-CB 4.41Å; D87-C91 WeakPolarHBondContact O-CB 3.48Å; D87-C91 PolarHBondContact O-N 2.76Å; D87-C91 VanDerWaalsContact O-N 3.07Å; D87-C91 PolarHBondContact O-SG 3.22Å; L88-C91 PolarHBondContact O-N 3.04Å; L89-C91 PolarHBondContact O-N 2.86Å; C91-L93 HydrophobicContact CB-CD1 3.78Å; C91-L93 HydrophobicContact CB-CG 3.83Å; C91-L93 PolarHBondContact O-N 3.02Å
92	G	96.3	Very high	96.8	Very high	64 Å²	64	31.9 Å²	31.9	66%	0.66	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	19.9	-175.8	0	0	0	0	0	114.4	L88 L89	L88-G92 PolarHBondContact O-N 2.97Å; L89-G92 PolarHBondContact O-N 3.02Å
93	L	96.7	Very high	96.8	Very high	69 Å²	69	31.9 Å²	31.9	36%	0.361	21%	0.212	S	C	.	.	S	Bend	trans	-86.3	-16.6	-177.1	-65.4	172.6	0	0	0	113.1	F67 Y74 L88 C91	F67-L93 HydrophobicContact CE2-CD1 4.2Å; F67-L93 HydrophobicContact CZ-CD1 3.92Å; Y74-L93 HydrophobicContact CD1-CB 4.45Å; Y74-L93 HydrophobicContact CD1-CD1 4.43Å; L88-L93 HydrophobicContact CD2-CB 3.98Å; L88-L93 HydrophobicContact CD2-CD1 3.89Å; L88-L93 PolarHBondContact O-N 3Å; C91-L93 HydrophobicContact CB-CD1 3.78Å; C91-L93 HydrophobicContact CB-CG 3.83Å; C91-L93 PolarHBondContact O-N 3.02Å
94	I	97.4	Very high	96.8	Very high	11 Å²	11	35 Å²	35	6%	0.056	23%	0.232	C	C	.	.	S	Bend	trans	-134.5	152.5	171.6	61.4	178.3	0	0	0	109.5	L88 L89 P97 L106 W108	L88-I94 HydrophobicContact CB-CD1 3.68Å; L88-I94 HydrophobicContact CB-CG1 3.79Å; L88-I94 HydrophobicContact CB-CG2 4.27Å; L88-I94 HydrophobicContact CD1-CD1 4.34Å; L88-I94 HydrophobicContact CD1-CG2 4.34Å; L89-I94 HydrophobicContact CB-CD1 4.39Å; L89-I94 HydrophobicContact CB-CG1 4.14Å; I94-P97 HydrophobicContact CD1-CG 4.3Å; I94-L106 HydrophobicContact CB-CD1 4.28Å; I94-L106 HydrophobicContact CB-CD2 4.08Å; I94-L106 HydrophobicContact CD1-CD1 4.21Å; I94-L106 HydrophobicContact CG2-CD2 3.96Å; I94-W108 HydrophobicContact CG2-CZ2 3.93Å
95	P	96.9	Very high	96.7	Very high	71 Å²	71	42.4 Å²	42.4	46%	0.461	26%	0.259	S	S	.	.			trans	-66.1	169.4	162.7	32.2	-37.7	0	0	0	111.2	P97 N102	P95-P97 WeakPolarHBondContact O-CD 3.48Å; P95-N102 VanDerWaalsContact CG-ND2 3.35Å; P95-N102 WeakPolarHBondContact CG-ND2 3.45Å
96	D	96.7	Very high	96.7	Very high	59 Å²	59	42.7 Å²	42.7	32%	0.316	26%	0.261	S	S	.	.			trans	-56.5	122.3	173.9	-168.5	-39.8	0	0	0	110.4	L89 Y98 V99 N102	L89-D96 HydrophobicContact CD1-CB 4.43Å; D96-Y98 PolarHBondContact O-N 2.85Å; D96-Y98 VanDerWaalsContact O-N 3.12Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.37Å; D96-Y98 PolarHBondContact OD1-N 3.19Å; D96-V99 HydrophobicContact CB-CB 4.42Å; D96-V99 HydrophobicContact CB-CG2 3.92Å; D96-V99 PolarHBondContact O-N 3.42Å; D96-V99 VanDerWaalsContact O-N 3.14Å; D96-N102 PolarHBondContact O-ND2 3.06Å
97	P	97.4	Very high	96.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.013	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.2	178.6	-25.3	34.2	0	0	0	114.2	I94 P95 N102 L106 F239 F399	I94-P97 HydrophobicContact CD1-CG 4.3Å; P95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-N102 WeakPolarHBondContact O-CB 3.37Å; P97-L106 HydrophobicContact CB-CD1 4.16Å; P97-L106 HydrophobicContact CG-CD1 4.13Å; P97-F239 HydrophobicContact CB-CD1 4.42Å; P97-F239 HydrophobicContact CB-CE1 3.67Å; P97-F239 HydrophobicContact CB-CE2 4.04Å; P97-F239 HydrophobicContact CB-CZ 3.46Å; P97-F239 VanDerWaalsContact CB-CZ 3.46Å; P97-F239 WeakPolarHBondContact O-CZ 3.4Å; P97-F399 HydrophobicContact CB-CE2 4.03Å; P97-F399 HydrophobicContact CB-CZ 3.86Å; P97-F399 HydrophobicContact CG-CE2 4.08Å; P97-F399 HydrophobicContact CG-CZ 3.94Å
98	Y	97.2	Very high	96.7	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.012	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.4	-177.2	-77.7	15.5	0	0	0	114.1	D96 P237 F239 D397 S398 F399 R620 V707 W708 Q709 Y718	D96-Y98 PolarHBondContact O-N 2.85Å; D96-Y98 VanDerWaalsContact O-N 3.12Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.37Å; D96-Y98 PolarHBondContact OD1-N 3.19Å; Y98-P237 HydrophobicContact CE1-CG 4.35Å; Y98-F239 AromaticContact CD1-CE2 3.88Å; Y98-F239 HydrophobicContact CD1-CE2 3.88Å; Y98-F239 HydrophobicContact CE1-CD2 4.1Å; Y98-F239 AromaticContact CE1-CE2 3.81Å; Y98-F239 HydrophobicContact CE1-CE2 3.81Å; Y98-D397 PolarHBondContact OH-OD1 3.02Å; Y98-S398 VanDerWaalsContact OH-CB 3.31Å; Y98-S398 WeakPolarHBondContact OH-CB 3.25Å; Y98-S398 PolarHBondContact OH-N 3.16Å; Y98-S398 PolarHBondContact OH-OG 2.96Å; Y98-F399 HydrophobicContact CD1-CE2 4.27Å; Y98-F399 HydrophobicContact CE1-CD2 4.48Å; Y98-F399 AromaticContact CE1-CE2 3.84Å; Y98-F399 HydrophobicContact CE1-CE2 3.84Å; Y98-R620 PolarHBondContact O-NH1 3.29Å; Y98-R620 PolarHBondContact O-NH2 3.21Å; Y98-V707 VanDerWaalsContact CE2-O 3.28Å; Y98-V707 WeakPolarHBondContact CE2-O 3.45Å; Y98-V707 WeakPolarHBondContact OH-CG1 3.27Å; Y98-V707 PolarHBondContact OH-O 2.82Å; Y98-W708 HydrophobicContact CD2-CB 3.95Å; Y98-W708 HydrophobicContact CE1-CB 4.24Å; Y98-W708 HydrophobicContact CE2-CB 3.5Å; Y98-W708 HydrophobicContact CG-CB 4.47Å; Y98-Q709 VanDerWaalsContact CD2-OE1 3.26Å; Y98-Y718 HydrophobicContact CD2-CE1 4.23Å; Y98-Y718 HydrophobicContact CE2-CD2 4.47Å; Y98-Y718 HydrophobicContact CE2-CE1 4.24Å; Y98-Y718 AromaticContact CE2-CE2 3.83Å; Y98-Y718 HydrophobicContact CE2-CE2 3.83Å; Y98-Y718 AromaticContact CE2-CZ 3.7Å
99	V	96.4	Very high	96.7	Very high	52 Å²	52	48.2 Å²	48.2	32%	0.315	28%	0.279	S	S	.	.	S	Bend	trans	-94	130.5	179.7	168.5	0	0	0	0	112	D96 D101 N102 A603	D96-V99 HydrophobicContact CB-CB 4.42Å; D96-V99 HydrophobicContact CB-CG2 3.92Å; D96-V99 PolarHBondContact O-N 3.42Å; D96-V99 VanDerWaalsContact O-N 3.14Å; V99-D101 PolarHBondContact O-N 2.66Å; V99-N102 VanDerWaalsContact O-CB 3.26Å; V99-N102 WeakPolarHBondContact O-CB 3.37Å; V99-N102 PolarHBondContact O-N 2.92Å; V99-N102 PolarHBondContact O-ND2 3.13Å; V99-A603 WeakPolarHBondContact CA-O 3.38Å
100	G	93.1	Very high	96.7	Very high	31 Å²	31	45.7 Å²	45.7	32%	0.32	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	-128.8	176.9	0	0	0	0	0	113.5	A603 R620	G100-A603 PolarHBondContact N-O 3.49Å; G100-R620 PolarHBondContact O-NH2 2.82Å
101	D	94.8	Very high	96.7	Very high	53 Å²	53	45 Å²	45	28%	0.283	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	28.7	178.5	59.6	-36.2	0	0	0	112.5	V99 D103 V104 R105	V99-D101 PolarHBondContact O-N 2.66Å; D101-D103 VanDerWaalsContact C-N 3.27Å; D101-D103 VanDerWaalsContact C-OD1 3.24Å; D101-D103 WeakPolarHBondContact CA-OD1 3.42Å; D101-D103 PolarHBondContact O-N 2.75Å; D101-V104 PolarHBondContact O-N 2.77Å; D101-R105 WeakPolarHBondContact O-CG 3.45Å; D101-R105 PolarHBondContact O-N 3.39Å; D101-R105 VanDerWaalsContact O-N 3.11Å; D101-R105 IonicContact OD1-CZ 3.54Å; D101-R105 IonicContact OD1-NE 3.63Å; D101-R105 PolarHBondContact OD1-NE 2.73Å; D101-R105 IonicContact OD1-NH1 3.46Å; D101-R105 IonicContact OD1-NH2 2.75Å; D101-R105 PolarHBondContact OD1-NH2 3.23Å; D101-R105 IonicContact OD2-CZ 3.46Å; D101-R105 IonicContact OD2-NE 2.78Å; D101-R105 PolarHBondContact OD2-NE 2.62Å; D101-R105 IonicContact OD2-NH2 3.22Å; D101-R105 PolarHBondContact OD2-NH2 2.99Å
102	N	97.4	Very high	96.8	Very high	11 Å²	11	43.8 Å²	43.8	6%	0.059	24%	0.241	C	C	.	.	H	α-helix	trans	-70.4	-17.8	-175.7	-78.8	-20.3	0	0	0	114.2	P95 D96 P97 V99 R105 L106	P95-N102 VanDerWaalsContact CG-ND2 3.35Å; P95-N102 WeakPolarHBondContact CG-ND2 3.45Å; D96-N102 PolarHBondContact O-ND2 3.06Å; P97-N102 WeakPolarHBondContact O-CB 3.37Å; V99-N102 VanDerWaalsContact O-CB 3.26Å; V99-N102 WeakPolarHBondContact O-CB 3.37Å; V99-N102 PolarHBondContact O-N 2.92Å; V99-N102 PolarHBondContact O-ND2 3.13Å; N102-R105 PolarHBondContact O-N 2.97Å; N102-L106 HydrophobicContact CB-CD1 3.98Å; N102-L106 HydrophobicContact CB-CG 4.2Å; N102-L106 WeakPolarHBondContact O-CB 3.19Å; N102-L106 WeakPolarHBondContact O-CG 3.41Å; N102-L106 PolarHBondContact O-N 3.22Å
103	D	96.5	Very high	96.9	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-56.2	-49.1	166.4	59.6	-55	0	0	0	111.4	D101 P237 F239 H619	D101-D103 VanDerWaalsContact C-N 3.27Å; D101-D103 VanDerWaalsContact C-OD1 3.24Å; D101-D103 WeakPolarHBondContact CA-OD1 3.42Å; D101-D103 PolarHBondContact O-N 2.75Å; D103-P237 HydrophobicContact CB-CB 4.22Å; D103-F239 HydrophobicContact CB-CE1 4.34Å; D103-F239 HydrophobicContact CB-CE2 4.34Å; D103-F239 HydrophobicContact CB-CZ 3.79Å; D103-H619 IonicContact OD1-CD2 2.87Å; D103-H619 IonicContact OD1-CE1 3.2Å; D103-H619 IonicContact OD1-NE2 3.85Å; D103-H619 PolarHBondContact OD1-NE2 2.99Å; D103-H619 IonicContact OD2-CE1 3.3Å; D103-H619 IonicContact OD2-NE2 2.76Å; D103-H619 PolarHBondContact OD2-NE2 2.91Å; D103-H619 VanDerWaalsContact OD2-NE2 3.15Å
104	V	96.5	Very high	97	Very high	68 Å²	68	40.9 Å²	40.9	41%	0.412	21%	0.21	S	C	.	.	H	α-helix	trans	-72.8	-41.1	176.1	176.4	0	0	0	0	111.3	D101 N216	D101-V104 PolarHBondContact O-N 2.77Å; V104-N216 HydrophobicContact CG2-CB 4.03Å
105	R	96.9	Very high	97	Very high	155 Å²	155	41.7 Å²	41.7	59%	0.585	22%	0.216	S	C	*	.	H	α-helix	trans	-71.4	-29.9	-176.1	-64.4	179.2	-177.5	172.7	10.7	114.2	D101 N102	D101-R105 WeakPolarHBondContact O-CG 3.45Å; D101-R105 PolarHBondContact O-N 3.39Å; D101-R105 VanDerWaalsContact O-N 3.11Å; D101-R105 IonicContact OD1-CZ 3.54Å; D101-R105 IonicContact OD1-NE 3.63Å; D101-R105 PolarHBondContact OD1-NE 2.73Å; D101-R105 IonicContact OD1-NH1 3.46Å; D101-R105 IonicContact OD1-NH2 2.75Å; D101-R105 PolarHBondContact OD1-NH2 3.23Å; D101-R105 IonicContact OD2-CZ 3.46Å; D101-R105 IonicContact OD2-NE 2.78Å; D101-R105 PolarHBondContact OD2-NE 2.62Å; D101-R105 IonicContact OD2-NH2 3.22Å; D101-R105 PolarHBondContact OD2-NH2 2.99Å; N102-R105 PolarHBondContact O-N 2.97Å
106	L	97.7	Very high	97	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-98.2	1.5	-175.8	-57.7	178.8	0	0	0	113.8	I94 P97 N102 W108 V109	I94-L106 HydrophobicContact CB-CD1 4.28Å; I94-L106 HydrophobicContact CB-CD2 4.08Å; I94-L106 HydrophobicContact CD1-CD1 4.21Å; I94-L106 HydrophobicContact CG2-CD2 3.96Å; P97-L106 HydrophobicContact CB-CD1 4.16Å; P97-L106 HydrophobicContact CG-CD1 4.13Å; N102-L106 HydrophobicContact CB-CD1 3.98Å; N102-L106 HydrophobicContact CB-CG 4.2Å; N102-L106 WeakPolarHBondContact O-CB 3.19Å; N102-L106 WeakPolarHBondContact O-CG 3.41Å; N102-L106 PolarHBondContact O-N 3.22Å; L106-W108 PolarHBondContact O-N 2.88Å; L106-V109 WeakPolarHBondContact O-CB 3.32Å; L106-V109 WeakPolarHBondContact O-CG2 3.37Å; L106-V109 PolarHBondContact O-N 3.17Å
107	R	97	Very high	97.1	Very high	78 Å²	78	36.1 Å²	36.1	29%	0.294	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-23.3	175.8	-166	170.2	-178.6	159.1	-5.8	114.6	V109 A110 L111 N216 G217 D218	R107-V109 PolarHBondContact O-N 3.09Å; R107-A110 PolarHBondContact O-N 3.5Å; R107-L111 HydrophobicContact CG-CD1 4.4Å; R107-L111 WeakPolarHBondContact O-CG 3.46Å; R107-L111 PolarHBondContact O-N 2.99Å; R107-N216 PolarHBondContact NH1-O 2.71Å; R107-G217 VanDerWaalsContact CZ-O 3.26Å; R107-G217 PolarHBondContact NH1-O 3.11Å; R107-G217 VanDerWaalsContact NH1-O 3.09Å; R107-G217 PolarHBondContact NH2-O 2.93Å; R107-D218 IonicContact CZ-OD1 3.75Å; R107-D218 IonicContact CZ-OD2 2.72Å; R107-D218 IonicContact NE-OD1 2.72Å; R107-D218 PolarHBondContact NE-OD1 3.33Å; R107-D218 IonicContact NE-OD2 3.87Å; R107-D218 PolarHBondContact NE-OD2 3.13Å; R107-D218 IonicContact NH2-OD1 3.61Å; R107-D218 PolarHBondContact NH2-OD1 3.34Å; R107-D218 IonicContact NH2-OD2 2.65Å
108	W	97.1	Very high	97	Very high	78 Å²	78	36.2 Å²	36.2	30%	0.295	18%	0.184	S	C	.	.	H	α-helix	trans	-58.8	-31.2	171.4	72.1	-93.6	0	0	0	113.7	Y74 L88 I94 L106 A110 L111 D112 W114	Y74-W108 HydrophobicContact CD1-CH2 4.1Å; Y74-W108 AromaticContact CD2-CH2 3.76Å; Y74-W108 HydrophobicContact CD2-CH2 3.76Å; Y74-W108 AromaticContact CD2-CZ3 3.79Å; Y74-W108 HydrophobicContact CD2-CZ3 3.79Å; Y74-W108 AromaticContact CE1-CH2 3.9Å; Y74-W108 HydrophobicContact CE1-CH2 3.9Å; Y74-W108 HydrophobicContact CE1-CZ2 4.36Å; Y74-W108 AromaticContact CE2-CH2 3.56Å; Y74-W108 HydrophobicContact CE2-CH2 3.56Å; Y74-W108 HydrophobicContact CE2-CZ2 4.33Å; Y74-W108 AromaticContact CE2-CZ3 3.74Å; Y74-W108 HydrophobicContact CE2-CZ3 3.74Å; Y74-W108 HydrophobicContact CG-CH2 4.04Å; Y74-W108 HydrophobicContact CG-CZ3 4.4Å; Y74-W108 AromaticContact CZ-CH2 3.63Å; L88-W108 HydrophobicContact CD1-CH2 4.44Å; I94-W108 HydrophobicContact CG2-CZ2 3.93Å; L106-W108 PolarHBondContact O-N 2.88Å; W108-A110 VanDerWaalsContact C-N 3.33Å; W108-A110 PolarHBondContact O-N 3.19Å; W108-L111 PolarHBondContact O-N 2.82Å; W108-L111 VanDerWaalsContact O-N 3.16Å; W108-D112 PolarHBondContact O-N 3.36Å; W108-W114 HydrophobicContact CH2-CH2 4.25Å; W108-W114 HydrophobicContact CH2-CZ2 4.38Å; W108-W114 AromaticContact CZ3-CH2 3.96Å; W108-W114 HydrophobicContact CZ3-CH2 3.96Å; W108-W114 AromaticContact CZ3-CZ2 3.79Å; W108-W114 HydrophobicContact CZ3-CZ2 3.79Å
109	V	97.9	Very high	96.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-40.3	178.9	179.2	0	0	0	0	110.7	I84 L88 L106 R107 L111 W114	I84-V109 HydrophobicContact CG1-CG1 4.38Å; I84-V109 HydrophobicContact CG2-CG1 3.75Å; L88-V109 HydrophobicContact CD1-CB 4.45Å; L88-V109 HydrophobicContact CD1-CG1 3.7Å; L88-V109 HydrophobicContact CD1-CG2 3.82Å; L106-V109 WeakPolarHBondContact O-CB 3.32Å; L106-V109 WeakPolarHBondContact O-CG2 3.37Å; L106-V109 PolarHBondContact O-N 3.17Å; R107-V109 PolarHBondContact O-N 3.09Å; V109-L111 VanDerWaalsContact C-N 3.29Å; V109-L111 PolarHBondContact O-N 3.18Å; V109-W114 HydrophobicContact CG1-CZ2 4.04Å; V109-W114 PolarHBondContact O-NE1 2.87Å
110	A	97.5	Very high	96.4	Very high	3 Å²	3	39 Å²	39	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-74.4	-16.9	176.2	0	0	0	0	0	113.7	R107 W108 S186 V188 P240	R107-A110 PolarHBondContact O-N 3.5Å; W108-A110 VanDerWaalsContact C-N 3.33Å; W108-A110 PolarHBondContact O-N 3.19Å; A110-S186 WeakPolarHBondContact O-CB 3.43Å; A110-S186 PolarHBondContact O-OG 2.96Å; A110-V188 HydrophobicContact CB-CG2 4.26Å; A110-P240 HydrophobicContact CB-CB 4.01Å; A110-P240 HydrophobicContact CB-CG 4.26Å; A110-P240 WeakPolarHBondContact CB-O 3.46Å
111	L	97.5	Very high	95.8	Very high	71 Å²	71	45.3 Å²	45.3	37%	0.372	21%	0.214	S	C	.	.	H	α-helix	trans	-94	-13.3	-179.9	-69.5	168.1	0	0	0	113.8	R107 W108 V109 S186 V188 L189	R107-L111 HydrophobicContact CG-CD1 4.4Å; R107-L111 WeakPolarHBondContact O-CG 3.46Å; R107-L111 PolarHBondContact O-N 2.99Å; W108-L111 PolarHBondContact O-N 2.82Å; W108-L111 VanDerWaalsContact O-N 3.16Å; V109-L111 VanDerWaalsContact C-N 3.29Å; V109-L111 PolarHBondContact O-N 3.18Å; L111-S186 WeakPolarHBondContact CA-OG 3.35Å; L111-V188 HydrophobicContact CD2-CB 4.03Å; L111-V188 HydrophobicContact CD2-CG1 3.84Å; L111-L189 HydrophobicContact CD2-CD2 4.03Å; L111-L189 HydrophobicContact CD2-CG 4.24Å; L111-L189 WeakPolarHBondContact O-CD1 3.45Å
112	D	97.8	Very high	94.6	Very high	25 Å²	25	43.9 Å²	43.9	13%	0.134	21%	0.205	C	C	.	.	S	Bend	trans	-93.6	160.2	176.9	-153.9	-18.6	0	0	0	111.7	N69 S70 W108 W114	N69-D112 WeakPolarHBondContact CB-OD2 3.3Å; N69-D112 PolarHBondContact ND2-OD2 3.06Å; S70-D112 WeakPolarHBondContact CB-OD1 3.08Å; S70-D112 PolarHBondContact N-OD1 2.91Å; S70-D112 PolarHBondContact OG-OD1 3.35Å; W108-D112 PolarHBondContact O-N 3.36Å; D112-W114 HydrophobicContact CB-CZ2 4.34Å; D112-W114 VanDerWaalsContact O-CD1 3.31Å
113	N	98.2	Very high	92.7	Very high	72 Å²	72	49.2 Å²	49.2	39%	0.385	23%	0.23	S	C	.	.			trans	-96.3	139.3	173.3	-60.5	-37	0	0	0	109.4	N69 S70 F184 A185 S186	N69-N113 CarbonylContact C-O 3.58Å; N69-N113 WeakPolarHBondContact CA-O 3.06Å; S70-N113 PolarHBondContact N-O 2.63Å; N113-F184 WeakPolarHBondContact CA-O 3.3Å; N113-A185 WeakPolarHBondContact OD1-CA 3.32Å; N113-S186 PolarHBondContact OD1-N 3.32Å
114	W	98.4	Very high	90.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.4	-170.1	-64.1	93.9	0	0	0	112	F67 Q68 N69 Y74 I84 L88 W108 V109 D112 F184 V242	F67-W114 HydrophobicContact CD2-CE3 4.17Å; F67-W114 AromaticContact CD2-CZ3 3.9Å; F67-W114 HydrophobicContact CD2-CZ3 3.9Å; F67-W114 HydrophobicContact CE2-CZ3 4.19Å; Q68-W114 CarbonylContact O-C 3.57Å; Q68-W114 WeakPolarHBondContact O-CA 3.3Å; N69-W114 HydrophobicContact CB-CD2 4.06Å; N69-W114 HydrophobicContact CB-CE3 3.63Å; N69-W114 HydrophobicContact CB-CH2 3.73Å; N69-W114 HydrophobicContact CB-CZ2 4.13Å; N69-W114 HydrophobicContact CB-CZ3 3.48Å; N69-W114 VanDerWaalsContact CB-CZ3 3.48Å; Y74-W114 HydrophobicContact CG-CH2 4.5Å; I84-W114 HydrophobicContact CD1-CD2 3.85Å; I84-W114 HydrophobicContact CD1-CE3 3.43Å; I84-W114 VanDerWaalsContact CD1-CE3 3.43Å; I84-W114 HydrophobicContact CD1-CG 4.42Å; I84-W114 HydrophobicContact CD1-CH2 4.37Å; I84-W114 HydrophobicContact CD1-CZ3 3.7Å; I84-W114 HydrophobicContact CG1-CD2 3.51Å; I84-W114 HydrophobicContact CG1-CE3 3.62Å; I84-W114 HydrophobicContact CG1-CG 3.94Å; I84-W114 HydrophobicContact CG1-CH2 4.17Å; I84-W114 HydrophobicContact CG1-CZ2 4.07Å; I84-W114 HydrophobicContact CG1-CZ3 3.93Å; L88-W114 HydrophobicContact CD1-CH2 3.79Å; L88-W114 HydrophobicContact CD1-CZ2 4.06Å; L88-W114 HydrophobicContact CD1-CZ3 4.49Å; L88-W114 HydrophobicContact CD2-CH2 3.93Å; L88-W114 HydrophobicContact CD2-CZ3 4.16Å; L88-W114 HydrophobicContact CG-CH2 4.29Å; W108-W114 HydrophobicContact CH2-CH2 4.25Å; W108-W114 HydrophobicContact CH2-CZ2 4.38Å; W108-W114 AromaticContact CZ3-CH2 3.96Å; W108-W114 HydrophobicContact CZ3-CH2 3.96Å; W108-W114 AromaticContact CZ3-CZ2 3.79Å; W108-W114 HydrophobicContact CZ3-CZ2 3.79Å; V109-W114 HydrophobicContact CG1-CZ2 4.04Å; V109-W114 PolarHBondContact O-NE1 2.87Å; D112-W114 HydrophobicContact CB-CZ2 4.34Å; D112-W114 VanDerWaalsContact O-CD1 3.31Å; W114-F184 PolarHBondContact N-O 2.91Å; W114-F184 WeakPolarHBondContact O-CB 3.22Å; W114-F184 PolarHBondContact O-N 3.18Å; W114-V242 HydrophobicContact CB-CG2 4.14Å; W114-V242 HydrophobicContact CG-CG2 4.25Å
115	T	98.2	Very high	87.9	Confident	28 Å²	28	54.8 Å²	54.8	17%	0.172	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.8	177.2	-53.8	0	0	0	0	110.5	F67 Q68 E181 A183	F67-T115 CarbonylContact C-O 3.6Å; F67-T115 WeakPolarHBondContact CA-O 3.47Å; Q68-T115 PolarHBondContact N-O 2.64Å; Q68-T115 PolarHBondContact O-N 3.28Å; T115-E181 HydrophobicContact CG2-CB 4.3Å; T115-A183 HydrophobicContact CG2-CB 4.32Å
116	Y	97.9	Very high	85.4	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	136.6	164.6	-77.2	-107.7	0	0	0	108.7	K66 A78 C83 I84 D87 E181 I182 F184 I244	K66-Y116 CarbonylContact O-C 3.52Å; K66-Y116 WeakPolarHBondContact O-CA 3.5Å; A78-Y116 HydrophobicContact CB-CD1 3.85Å; A78-Y116 HydrophobicContact CB-CE1 3.6Å; C83-Y116 VanDerWaalsContact C-OH 3.31Å; I84-Y116 VanDerWaalsContact CA-OH 3.32Å; I84-Y116 WeakPolarHBondContact CA-OH 2.99Å; I84-Y116 PolarHBondContact N-OH 2.54Å; I84-Y116 VanDerWaalsContact N-OH 3.12Å; D87-Y116 VanDerWaalsContact OD2-CE1 3.25Å; D87-Y116 WeakPolarHBondContact OD2-CE1 3.38Å; D87-Y116 VanDerWaalsContact OD2-CZ 3.31Å; D87-Y116 PolarHBondContact OD2-OH 2.91Å; Y116-E181 CarbonylContact O-C 3.59Å; Y116-E181 WeakPolarHBondContact O-CA 3.38Å; Y116-I182 PolarHBondContact N-O 2.64Å; Y116-I182 PolarHBondContact O-N 2.72Å; Y116-F184 AromaticContact CD2-CD2 3.78Å; Y116-F184 HydrophobicContact CD2-CD2 3.78Å; Y116-F184 AromaticContact CD2-CE2 3.63Å; Y116-F184 HydrophobicContact CD2-CE2 3.63Å; Y116-F184 HydrophobicContact CE2-CD2 4.26Å; Y116-F184 HydrophobicContact CE2-CE2 4.16Å; Y116-F184 HydrophobicContact CG-CE2 4.32Å; Y116-I244 HydrophobicContact CD1-CD1 4.3Å; Y116-I244 HydrophobicContact CG-CD1 4.3Å
117	S	97.2	Very high	83.2	Confident	13 Å²	13	54.9 Å²	54.9	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150	177.9	65.1	0	0	0	0	112.2	W65 K66 L180	W65-S117 CarbonylContact C-O 3.59Å; W65-S117 WeakPolarHBondContact CA-O 3.42Å; K66-S117 PolarHBondContact N-O 2.72Å; K66-S117 PolarHBondContact O-N 3.03Å; S117-L180 CarbonylContact C-O 3.44Å; S117-L180 VanDerWaalsContact CA-O 3.29Å; S117-L180 WeakPolarHBondContact CA-O 3.48Å
118	T	95.8	Very high	81.1	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162.6	169.6	-167	0	0	0	0	111	L63 N64 W65 L180	L63-T118 HydrophobicContact CB-CG2 4.42Å; L63-T118 HydrophobicContact CD1-CG2 3.84Å; N64-T118 WeakPolarHBondContact O-CB 3.28Å; N64-T118 PolarHBondContact O-OG1 3.17Å; W65-T118 HydrophobicContact CD2-CG2 3.95Å; W65-T118 HydrophobicContact CE3-CG2 3.94Å; W65-T118 HydrophobicContact CH2-CG2 3.67Å; W65-T118 HydrophobicContact CZ2-CG2 3.66Å; W65-T118 HydrophobicContact CZ3-CG2 3.8Å; T118-L180 HydrophobicContact CG2-CB 4.25Å; T118-L180 HydrophobicContact CG2-CD2 4.43Å; T118-L180 PolarHBondContact N-O 3.2Å; T118-L180 PolarHBondContact O-N 2.98Å
119	T	92.6	Very high	79.2	Confident	88 Å²	88	51.6 Å²	51.6	54%	0.54	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.4	175.6	54.6	0	0	0	0	109.7	I177 N178 R179	T119-I177 HydrophobicContact CG2-CG2 4.47Å; T119-N178 VanDerWaalsContact CA-O 3.3Å; T119-N178 WeakPolarHBondContact CA-O 2.92Å; T119-R179 HydrophobicContact CG2-CB 4.23Å; T119-R179 HydrophobicContact CG2-CG 4.14Å
120	F	88	Confident	77.2	Confident	25 Å²	25	54.6 Å²	54.6	11%	0.11	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.8	174.5	60.1	-86.8	0	0	0	110.1	L63 L150 L173 N178 L180	L63-F120 HydrophobicContact CD1-CB 4.15Å; L63-F120 HydrophobicContact CD1-CD1 4.24Å; L63-F120 HydrophobicContact CD2-CB 4.09Å; F120-L150 HydrophobicContact CE1-CD1 4.26Å; F120-L150 HydrophobicContact CZ-CD1 4.16Å; F120-L173 HydrophobicContact CE2-CD2 3.66Å; F120-L173 HydrophobicContact CZ-CD2 3.69Å; F120-N178 HydrophobicContact CD2-CB 4.34Å; F120-N178 HydrophobicContact CE1-CB 4.12Å; F120-N178 HydrophobicContact CE2-CB 3.81Å; F120-N178 HydrophobicContact CZ-CB 3.69Å; F120-N178 PolarHBondContact N-O 2.83Å; F120-N178 VanDerWaalsContact N-O 3.1Å; F120-N178 PolarHBondContact O-N 2.96Å; F120-L180 HydrophobicContact CE1-CB 4.07Å
121	R	80.4	Confident	75.6	Confident	165 Å²	165	61.3 Å²	61.3	62%	0.623	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.2	-178.6	-171.5	176.9	-173.5	125.4	2.1	110.5	Q123 G176 I177	R121-Q123 PolarHBondContact O-N 2.76Å; R121-G176 CarbonylContact C-O 3.56Å; R121-G176 WeakPolarHBondContact CA-O 3.4Å; R121-I177 HydrophobicContact CB-CG1 4.34Å; R121-I177 HydrophobicContact CG-CG1 4.15Å
122	L	69.7	Low	74.7	Confident	22 Å²	22	58 Å²	58	12%	0.115	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	119.4	158.5	-64.9	178.8	0	0	0	107.2	L173 G176	L122-L173 HydrophobicContact CD1-CB 4.16Å; L122-L173 HydrophobicContact CD1-CD2 4.19Å; L122-G176 PolarHBondContact N-O 2.86Å; L122-G176 VanDerWaalsContact O-CA 3.31Å; L122-G176 WeakPolarHBondContact O-CA 3.48Å; L122-G176 PolarHBondContact O-N 2.7Å
123	Q	57.4	Low	74	Confident	123 Å²	123	61.5 Å²	61.5	58%	0.575	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-67.4	157.5	179.4	-64.7	-167.2	6	0	0	111	R121	R121-Q123 PolarHBondContact O-N 2.76Å
124	S	48.1	Very low	73.5	Confident	107 Å²	107	60.3 Å²	60.3	75%	0.748	31%	0.31	S	S	*	.	S	Bend	trans	-55.9	146.3	177	-138.5	0	0	0	0	110	S126	S124-S126 PolarHBondContact O-N 2.97Å
125	P	44.9	Very low	73	Confident	82 Å²	82	61.2 Å²	61.2	53%	0.532	31%	0.314	S	S	.	.			trans	-70	90.4	-144.7	26.5	-36.6	0	0	0	114.3	L127	P125-L127 PolarHBondContact O-N 3.31Å
126	S	44.2	Very low	72.7	Confident	55 Å²	55	60 Å²	60	39%	0.385	31%	0.307	S	S	.	.			trans	-53.7	121.3	139.2	55.4	0	0	0	0	106.7	S124 V128 H129	S124-S126 PolarHBondContact O-N 2.97Å; S126-V128 PolarHBondContact O-N 2.82Å; S126-H129 PolarHBondContact OG-CD2 2.97Å; S126-H129 VanDerWaalsContact OG-CD2 3.29Å
127	L	50.9	Low	72.4	Confident	112 Å²	112	60.1 Å²	60.1	59%	0.586	31%	0.307	S	S	*	.	H	α-helix	trans	-65.2	-7.6	-161.8	-75.1	137.6	0	0	0	114.1	P125 K131	P125-L127 PolarHBondContact O-N 3.31Å; L127-K131 WeakPolarHBondContact O-CB 3.33Å; L127-K131 WeakPolarHBondContact O-CD 3.37Å; L127-K131 WeakPolarHBondContact O-CG 3.32Å
128	V	53.6	Low	72.1	Confident	31 Å²	31	60 Å²	60	19%	0.188	31%	0.305	C	S	.	.	H	α-helix	trans	-74.8	-58.1	-176.2	-168.9	0	0	0	0	112.1	T52 I56 S126 H130 K131 K132	T52-V128 HydrophobicContact CG2-CG2 4.15Å; I56-V128 HydrophobicContact CD1-CG1 4.26Å; S126-V128 PolarHBondContact O-N 2.82Å; V128-H130 PolarHBondContact O-N 3.38Å; V128-K131 PolarHBondContact O-N 2.96Å; V128-K132 PolarHBondContact O-N 2.94Å
129	H	57.2	Low	72.1	Confident	57 Å²	57	59.8 Å²	59.8	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-69.2	-40.1	-165.8	-51.8	-64.9	0	0	0	114	Y58 S126 K131 K135	Y58-H129 PolarHBondContact OH-CE1 2.8Å; Y58-H129 PolarHBondContact OH-ND1 3.48Å; S126-H129 PolarHBondContact OG-CD2 2.97Å; S126-H129 VanDerWaalsContact OG-CD2 3.29Å; H129-K131 VanDerWaalsContact C-N 3.35Å; H129-K135 VanDerWaalsContact O-CE 3.32Å; H129-K135 WeakPolarHBondContact O-CE 3.43Å
130	H	55.3	Low	72.1	Confident	64 Å²	64	60.1 Å²	60.1	30%	0.296	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-34.5	177.8	-84.4	-75.4	0	0	0	112	V128 K132 K135	V128-H130 PolarHBondContact O-N 3.38Å; H130-K132 PolarHBondContact O-N 3.27Å; H130-K135 PolarHBondContact O-NZ 2.99Å
131	K	65	Low	72.4	Confident	143 Å²	143	59 Å²	59	62%	0.622	29%	0.291	S	S	*	.	H	α-helix	trans	-70.6	-24.7	179.2	-74.7	-175.5	-170.3	177.7	0	114.2	L127 V128 H129 K133	L127-K131 WeakPolarHBondContact O-CB 3.33Å; L127-K131 WeakPolarHBondContact O-CD 3.37Å; L127-K131 WeakPolarHBondContact O-CG 3.32Å; V128-K131 PolarHBondContact O-N 2.96Å; H129-K131 VanDerWaalsContact C-N 3.35Å; K131-K133 PolarHBondContact O-N 2.93Å
132	K	77.4	Confident	73.2	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	26%	0.261	C	S	.	.			trans	-50.1	113.1	178.2	-74.3	-52.8	-164.4	179.7	0	111.2	Q54 V128 H130 K134 K135 L252 D254 E351	Q54-K132 WeakPolarHBondContact O-CE 3.3Å; Q54-K132 PolarHBondContact O-NZ 2.87Å; V128-K132 PolarHBondContact O-N 2.94Å; H130-K132 PolarHBondContact O-N 3.27Å; K132-K134 VanDerWaalsContact C-N 3.3Å; K132-K134 PolarHBondContact O-N 3.24Å; K132-K135 PolarHBondContact O-NZ 2.87Å; K132-L252 HydrophobicContact CB-CB 3.87Å; K132-L252 HydrophobicContact CB-CD2 4.4Å; K132-L252 HydrophobicContact CG-CB 3.83Å; K132-D254 VanDerWaalsContact CA-OD1 3.28Å; K132-D254 WeakPolarHBondContact CA-OD1 3.44Å; K132-D254 WeakPolarHBondContact CD-OD2 3.34Å; K132-D254 WeakPolarHBondContact CE-OD2 3.25Å; K132-D254 IonicContact NZ-OD2 2.75Å; K132-D254 PolarHBondContact NZ-OD2 2.85Å; K132-E351 IonicContact NZ-OE1 3.09Å; K132-E351 PolarHBondContact NZ-OE1 2.92Å
133	K	82.8	Confident	74.5	Confident	100 Å²	100	50.3 Å²	50.3	44%	0.435	26%	0.257	S	S	.	.	S	Bend	trans	-57.2	-40.3	-170.7	-65.3	-173.1	-157.4	143.9	0	113.2	K131 F253 D254 A285 S286	K131-K133 PolarHBondContact O-N 2.93Å; K133-F253 PolarHBondContact N-O 2.83Å; K133-D254 VanDerWaalsContact CD-O 3.32Å; K133-D254 WeakPolarHBondContact CD-O 3.21Å; K133-D254 WeakPolarHBondContact CE-O 3.44Å; K133-D254 PolarHBondContact N-OD1 3.45Å; K133-D254 PolarHBondContact NZ-O 2.94Å; K133-A285 HydrophobicContact CB-CB 3.7Å; K133-A285 HydrophobicContact CD-CB 4.09Å; K133-S286 PolarHBondContact NZ-OG 3.23Å
134	K	88.9	Confident	76.4	Confident	47 Å²	47	44.5 Å²	44.5	20%	0.204	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.8	177.5	-79.5	-77	171.9	170.4	0	111.5	K132 L136 D168 S170 L252 F253 A285	K132-K134 VanDerWaalsContact C-N 3.3Å; K132-K134 PolarHBondContact O-N 3.24Å; K134-L136 HydrophobicContact CD-CD2 4.44Å; K134-D168 IonicContact NZ-OD2 2.71Å; K134-D168 PolarHBondContact NZ-OD2 3.41Å; K134-S170 WeakPolarHBondContact CA-OG 3.27Å; K134-L252 WeakPolarHBondContact O-CA 3.23Å; K134-F253 HydrophobicContact CB-CD1 4.02Å; K134-F253 HydrophobicContact CB-CD2 4.08Å; K134-F253 HydrophobicContact CB-CE1 3.6Å; K134-F253 HydrophobicContact CB-CE2 3.67Å; K134-F253 HydrophobicContact CB-CG 4.25Å; K134-F253 HydrophobicContact CB-CZ 3.41Å; K134-F253 VanDerWaalsContact CB-CZ 3.41Å; K134-F253 HydrophobicContact CG-CE2 4.02Å; K134-F253 HydrophobicContact CG-CZ 3.92Å; K134-F253 PolarHBondContact N-O 2.86Å; K134-F253 PolarHBondContact O-N 2.89Å; K134-A285 HydrophobicContact CB-CB 4.03Å; K134-A285 HydrophobicContact CG-CB 3.41Å; K134-A285 VanDerWaalsContact CG-CB 3.41Å
135	K	88.6	Confident	78.8	Confident	18 Å²	18	40.4 Å²	40.4	8%	0.078	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	99.4	-179.1	-50.9	-179.8	179.9	67.8	0	107.6	H129 H130 K132 L169 S170 L173 L251 L252	H129-K135 VanDerWaalsContact O-CE 3.32Å; H129-K135 WeakPolarHBondContact O-CE 3.43Å; H130-K135 PolarHBondContact O-NZ 2.99Å; K132-K135 PolarHBondContact O-NZ 2.87Å; K135-L169 WeakPolarHBondContact O-CA 3.18Å; K135-L169 WeakPolarHBondContact O-CB 3.25Å; K135-L169 PolarHBondContact O-N 2.94Å; K135-S170 PolarHBondContact N-OG 3.21Å; K135-L173 HydrophobicContact CB-CD1 3.91Å; K135-L173 HydrophobicContact CD-CD1 3.7Å; K135-L173 HydrophobicContact CG-CD1 4.42Å; K135-L251 CarbonylContact C-O 3.57Å; K135-L251 WeakPolarHBondContact CA-O 3.35Å; K135-L252 HydrophobicContact CB-CG 4.39Å; K135-L252 HydrophobicContact CD-CD2 4.39Å; K135-L252 HydrophobicContact CG-CD2 4.19Å; K135-L252 HydrophobicContact CG-CG 4.2Å
136	L	91	Very high	81.3	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.6	-171	-61.4	-175.1	0	0	0	111.9	K134 F138 D168 L250 L251 F253 I257 N283	K134-L136 HydrophobicContact CD-CD2 4.44Å; L136-F138 HydrophobicContact CB-CD2 4.15Å; L136-F138 HydrophobicContact CB-CE2 3.57Å; L136-F138 HydrophobicContact CB-CZ 4.44Å; L136-F138 HydrophobicContact CD1-CE2 4.06Å; L136-F138 HydrophobicContact CD1-CZ 4.2Å; L136-F138 HydrophobicContact CG-CE2 4.49Å; L136-D168 HydrophobicContact CD2-CB 3.77Å; L136-L250 WeakPolarHBondContact O-CA 3.31Å; L136-L251 PolarHBondContact N-O 3.13Å; L136-L251 PolarHBondContact O-N 2.86Å; L136-F253 HydrophobicContact CD1-CE1 3.68Å; L136-F253 HydrophobicContact CD1-CZ 3.87Å; L136-F253 HydrophobicContact CG-CE1 3.9Å; L136-F253 HydrophobicContact CG-CZ 4.37Å; L136-I257 HydrophobicContact CD1-CD1 4.14Å; L136-N283 HydrophobicContact CD1-CB 4.26Å; L136-N283 VanDerWaalsContact CD1-ND2 3.32Å; L136-N283 WeakPolarHBondContact CD1-ND2 3.25Å
137	L	91.7	Very high	83.9	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.9	173.9	170.6	61.4	0	0	0	109.5	L60 F139 I148 T166 V167 L169 L180 L250	L60-L137 HydrophobicContact CD1-CD1 3.32Å; L137-F139 HydrophobicContact CD1-CE2 3.99Å; L137-F139 HydrophobicContact CD1-CZ 4.04Å; L137-F139 HydrophobicContact CD2-CE2 3.59Å; L137-F139 HydrophobicContact CD2-CZ 3.89Å; L137-F139 HydrophobicContact CG-CD2 4.28Å; L137-F139 HydrophobicContact CG-CE2 3.62Å; L137-F139 HydrophobicContact CG-CZ 4.11Å; L137-I148 HydrophobicContact CD2-CG2 4.46Å; L137-T166 CarbonylContact O-C 3.54Å; L137-T166 WeakPolarHBondContact O-CA 3.46Å; L137-V167 HydrophobicContact CB-CB 4.35Å; L137-V167 PolarHBondContact N-O 3.03Å; L137-V167 PolarHBondContact O-N 3.06Å; L137-L169 HydrophobicContact CB-CD1 3.79Å; L137-L169 HydrophobicContact CB-CD2 4.23Å; L137-L169 HydrophobicContact CB-CG 3.86Å; L137-L169 HydrophobicContact CD2-CD1 4.18Å; L137-L169 HydrophobicContact CD2-CD2 4.31Å; L137-L180 HydrophobicContact CD2-CD1 3.82Å; L137-L180 HydrophobicContact CD2-CD2 4.14Å; L137-L250 HydrophobicContact CB-CD1 4.49Å
138	F	91.6	Very high	86.1	Confident	10 Å²	10	32.8 Å²	32.8	4%	0.044	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.2	177.5	-72.1	-101.4	0	0	0	110.3	L136 T166 A248 S249 L251 I257 R259	L136-F138 HydrophobicContact CB-CD2 4.15Å; L136-F138 HydrophobicContact CB-CE2 3.57Å; L136-F138 HydrophobicContact CB-CZ 4.44Å; L136-F138 HydrophobicContact CD1-CE2 4.06Å; L136-F138 HydrophobicContact CD1-CZ 4.2Å; L136-F138 HydrophobicContact CG-CE2 4.49Å; F138-T166 HydrophobicContact CD1-CG2 4.04Å; F138-T166 VanDerWaalsContact CD1-OG1 3.23Å; F138-T166 WeakPolarHBondContact CD1-OG1 3.03Å; F138-T166 HydrophobicContact CD2-CG2 4.33Å; F138-T166 HydrophobicContact CE1-CG2 3.7Å; F138-T166 WeakPolarHBondContact CE1-OG1 3.43Å; F138-T166 HydrophobicContact CE2-CG2 4Å; F138-T166 HydrophobicContact CG-CG2 4.35Å; F138-T166 HydrophobicContact CZ-CG2 3.67Å; F138-A248 CarbonylContact O-C 3.58Å; F138-A248 WeakPolarHBondContact O-CA 3.48Å; F138-A248 WeakPolarHBondContact O-CB 3.19Å; F138-S249 PolarHBondContact N-O 2.91Å; F138-S249 PolarHBondContact O-N 2.86Å; F138-L251 HydrophobicContact CD2-CD1 4Å; F138-L251 HydrophobicContact CD2-CG 4.14Å; F138-L251 HydrophobicContact CE2-CB 4.47Å; F138-L251 HydrophobicContact CE2-CD1 3.66Å; F138-L251 HydrophobicContact CE2-CG 4.14Å; F138-L251 HydrophobicContact CZ-CD1 4.36Å; F138-I257 HydrophobicContact CE2-CD1 4.14Å; F138-I257 HydrophobicContact CZ-CD1 4.07Å; F138-R259 HydrophobicContact CE1-CG 4.32Å
139	F	94.4	Very high	88.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.8	159.7	-59	-90.4	0	0	0	108	L137 G141 L142 I148 S164 S165 L180 I182 I244 A248	L137-F139 HydrophobicContact CD1-CE2 3.99Å; L137-F139 HydrophobicContact CD1-CZ 4.04Å; L137-F139 HydrophobicContact CD2-CE2 3.59Å; L137-F139 HydrophobicContact CD2-CZ 3.89Å; L137-F139 HydrophobicContact CG-CD2 4.28Å; L137-F139 HydrophobicContact CG-CE2 3.62Å; L137-F139 HydrophobicContact CG-CZ 4.11Å; F139-G141 PolarHBondContact O-N 2.93Å; F139-L142 HydrophobicContact CB-CD1 4.12Å; F139-L142 HydrophobicContact CB-CD2 3.93Å; F139-L142 HydrophobicContact CB-CG 3.83Å; F139-L142 HydrophobicContact CD1-CD2 3.77Å; F139-L142 HydrophobicContact CD2-CD1 4.33Å; F139-L142 HydrophobicContact CE1-CD2 4.49Å; F139-L142 HydrophobicContact CG-CD1 4.15Å; F139-L142 HydrophobicContact CG-CD2 3.92Å; F139-L142 HydrophobicContact CG-CG 4.19Å; F139-I148 HydrophobicContact CD2-CD1 3.84Å; F139-I148 HydrophobicContact CE2-CD1 3.81Å; F139-I148 HydrophobicContact CE2-CG1 4.25Å; F139-I148 HydrophobicContact CE2-CG2 3.94Å; F139-I148 HydrophobicContact CZ-CG2 4.4Å; F139-S164 CarbonylContact O-C 3.56Å; F139-S164 WeakPolarHBondContact O-CA 3.23Å; F139-S165 PolarHBondContact N-O 2.89Å; F139-S165 PolarHBondContact O-N 2.66Å; F139-L180 HydrophobicContact CZ-CD2 4.35Å; F139-I182 HydrophobicContact CE1-CD1 3.95Å; F139-I182 HydrophobicContact CE1-CG1 4.12Å; F139-I182 HydrophobicContact CZ-CD1 3.78Å; F139-I182 HydrophobicContact CZ-CG1 3.88Å; F139-I244 HydrophobicContact CD1-CG2 4.06Å; F139-I244 HydrophobicContact CE1-CD1 4.34Å; F139-A248 HydrophobicContact CD1-CB 3.53Å; F139-A248 HydrophobicContact CE1-CB 3.92Å; F139-A248 HydrophobicContact CG-CB 4.27Å
140	Y	92.7	Very high	89.9	Confident	96 Å²	96	29.6 Å²	29.6	38%	0.376	13%	0.133	S	C	.	.	S	Bend	trans	-77.2	-9.4	-177.8	-65.7	-71.9	0	0	0	113.6	A247 S249	Y140-A247 HydrophobicContact CD2-CB 4.16Å; Y140-A247 VanDerWaalsContact CD2-O 3.27Å; Y140-A247 WeakPolarHBondContact CD2-O 3.31Å; Y140-A247 PolarHBondContact N-O 2.9Å; Y140-S249 PolarHBondContact OH-OG 3.29Å
141	G	94.5	Very high	91.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.133	C	C	.	.			trans	-178.4	132	174.3	0	0	0	0	0	110.8	F139	F139-G141 PolarHBondContact O-N 2.93Å
142	L	97.5	Very high	92.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.134	C	C	.	.			trans	-124.5	125.7	176	-66.5	175.8	0	0	0	107.7	F139 T144 A146 I148 A158 M161 I182 F184 I244	F139-L142 HydrophobicContact CB-CD1 4.12Å; F139-L142 HydrophobicContact CB-CD2 3.93Å; F139-L142 HydrophobicContact CB-CG 3.83Å; F139-L142 HydrophobicContact CD1-CD2 3.77Å; F139-L142 HydrophobicContact CD2-CD1 4.33Å; F139-L142 HydrophobicContact CE1-CD2 4.49Å; F139-L142 HydrophobicContact CG-CD1 4.15Å; F139-L142 HydrophobicContact CG-CD2 3.92Å; F139-L142 HydrophobicContact CG-CG 4.19Å; L142-T144 WeakPolarHBondContact O-CA 3.5Å; L142-A146 HydrophobicContact CD1-CB 4.29Å; L142-I148 HydrophobicContact CD1-CD1 3.85Å; L142-I148 HydrophobicContact CD1-CG1 4.2Å; L142-A158 HydrophobicContact CD1-CB 3.93Å; L142-M161 WeakPolarHBondContact O-CA 3.49Å; L142-I182 HydrophobicContact CD2-CG2 4.47Å; L142-F184 HydrophobicContact CB-CE1 4.29Å; L142-F184 HydrophobicContact CD2-CZ 4.09Å; L142-I244 HydrophobicContact CD2-CB 4.28Å; L142-I244 HydrophobicContact CD2-CG1 3.8Å; L142-I244 HydrophobicContact CD2-CG2 4.19Å
143	D	97.5	Very high	93.6	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.027	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-104.8	106.9	180	-176.4	-2.4	0	0	0	109.9	M161 F184 K226 V242 G243 Y245	D143-M161 HydrophobicContact CB-CE 4.32Å; D143-M161 HydrophobicContact CB-CG 4.19Å; D143-F184 WeakPolarHBondContact O-CD1 3.44Å; D143-F184 WeakPolarHBondContact O-CE1 3.07Å; D143-K226 IonicContact OD1-NZ 3.81Å; D143-K226 PolarHBondContact OD1-NZ 3.16Å; D143-K226 IonicContact OD2-NZ 2.72Å; D143-K226 PolarHBondContact OD2-NZ 3.05Å; D143-V242 CarbonylContact O-C 3.57Å; D143-V242 WeakPolarHBondContact O-CA 3.17Å; D143-V242 WeakPolarHBondContact O-CB 3.11Å; D143-G243 PolarHBondContact N-O 2.97Å; D143-G243 PolarHBondContact O-N 3.02Å; D143-Y245 HydrophobicContact CB-CD1 3.87Å; D143-Y245 HydrophobicContact CB-CG 4.34Å
144	T	97.3	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	S	Bend	cis	-130.2	-52.8	-12.3	-73.3	0	0	0	0	110.1	L142 A146 A158 K226	L142-T144 WeakPolarHBondContact O-CA 3.5Å; T144-A146 PolarHBondContact O-N 3.04Å; T144-A158 CarbonylContact O-C 3.09Å; T144-A158 VanDerWaalsContact O-O 3.09Å; T144-K226 HydrophobicContact CG2-CB 4.42Å
145	I	97.9	Very high	94.4	Very high	21 Å²	21	29.1 Å²	29.1	11%	0.108	16%	0.16	C	C	.	.	S	Bend	trans	-90.9	105.3	179.4	-50.1	98.7	0	0	0	108.8	A158 E159 F184 A185 P187 Q190 L224	I145-A158 CarbonylContact C-O 3.54Å; I145-A158 WeakPolarHBondContact CA-O 3.2Å; I145-E159 HydrophobicContact CG2-CG 4.48Å; I145-F184 CarbonylContact O-C 3.59Å; I145-F184 VanDerWaalsContact O-CA 3.28Å; I145-F184 WeakPolarHBondContact O-CA 3.45Å; I145-A185 HydrophobicContact CB-CB 4.31Å; I145-A185 HydrophobicContact CG2-CB 4.17Å; I145-A185 PolarHBondContact O-N 3.18Å; I145-P187 HydrophobicContact CD1-CB 4.18Å; I145-Q190 HydrophobicContact CD1-CB 4.16Å; I145-Q190 HydrophobicContact CD1-CG 4.09Å; I145-Q190 HydrophobicContact CG1-CG 3.99Å; I145-Q190 HydrophobicContact CG2-CG 4.42Å; I145-L224 HydrophobicContact CD1-CD1 3.98Å; I145-L224 HydrophobicContact CD1-CD2 3.88Å; I145-L224 HydrophobicContact CG1-CD2 4.31Å
146	A	97.8	Very high	94.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.6	-170.2	0	0	0	0	0	113.1	L142 T144 R157 A158 I182 A183 F184	L142-A146 HydrophobicContact CD1-CB 4.29Å; T144-A146 PolarHBondContact O-N 3.04Å; A146-R157 CarbonylContact O-C 3.45Å; A146-R157 WeakPolarHBondContact O-CA 3.45Å; A146-A158 HydrophobicContact CB-CB 4.47Å; A146-A158 PolarHBondContact N-O 3.34Å; A146-A158 PolarHBondContact O-N 3.03Å; A146-I182 HydrophobicContact CB-CG2 3.92Å; A146-A183 CarbonylContact C-O 3.6Å; A146-A183 WeakPolarHBondContact CA-O 3.35Å; A146-F184 HydrophobicContact CB-CD1 3.69Å; A146-F184 HydrophobicContact CB-CE1 3.66Å; A146-F184 HydrophobicContact CB-CG 4.35Å; A146-F184 HydrophobicContact CB-CZ 4.29Å
147	Q	97.8	Very high	95	Very high	88 Å²	88	38.7 Å²	38.7	41%	0.411	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.8	170.9	-58.6	-164.8	15	0	0	110	L154 R157 I182 A183	Q147-L154 HydrophobicContact CB-CD1 3.83Å; Q147-R157 HydrophobicContact CG-CG 4.33Å; Q147-I182 CarbonylContact O-C 3.55Å; Q147-I182 WeakPolarHBondContact O-CA 3.49Å; Q147-A183 PolarHBondContact N-O 2.73Å; Q147-A183 PolarHBondContact O-N 3.04Å
148	I	96.9	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.6	-179.2	-53.6	166	0	0	0	108.6	L137 F139 L142 L155 K156 V167 L180 I182	L137-I148 HydrophobicContact CD2-CG2 4.46Å; F139-I148 HydrophobicContact CD2-CD1 3.84Å; F139-I148 HydrophobicContact CE2-CD1 3.81Å; F139-I148 HydrophobicContact CE2-CG1 4.25Å; F139-I148 HydrophobicContact CE2-CG2 3.94Å; F139-I148 HydrophobicContact CZ-CG2 4.4Å; L142-I148 HydrophobicContact CD1-CD1 3.85Å; L142-I148 HydrophobicContact CD1-CG1 4.2Å; I148-L155 PolarHBondContact O-N 2.88Å; I148-K156 HydrophobicContact CD1-CB 4.29Å; I148-K156 HydrophobicContact CD1-CG 4.47Å; I148-K156 PolarHBondContact N-O 3.26Å; I148-K156 PolarHBondContact O-N 3.16Å; I148-V167 HydrophobicContact CD1-CG2 3.94Å; I148-V167 HydrophobicContact CG2-CG2 4.42Å; I148-L180 HydrophobicContact CG2-CD1 4.16Å; I148-I182 HydrophobicContact CG1-CG1 4.36Å; I148-I182 HydrophobicContact CG2-CG1 4.49Å
149	S	96.5	Very high	95.3	Very high	21 Å²	21	43.8 Å²	43.8	15%	0.147	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.2	177.1	61.3	0	0	0	0	112.9	I153 E181	S149-I153 CarbonylContact C-O 3.55Å; S149-I153 WeakPolarHBondContact CA-O 3.39Å; S149-I153 WeakPolarHBondContact CB-O 3.41Å; S149-E181 PolarHBondContact N-O 3.1Å; S149-E181 PolarHBondContact O-N 3.49Å
150	L	94.1	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.1	176.3	-172.2	75.5	0	0	0	108.9	F120 G152 I153 L155 L169 V172 L173 N178 R179 L180	F120-L150 HydrophobicContact CE1-CD1 4.26Å; F120-L150 HydrophobicContact CZ-CD1 4.16Å; L150-G152 PolarHBondContact O-N 2.69Å; L150-G152 VanDerWaalsContact O-N 3.13Å; L150-I153 PolarHBondContact N-O 3.46Å; L150-I153 WeakPolarHBondContact O-CB 3.32Å; L150-I153 PolarHBondContact O-N 2.92Å; L150-L155 HydrophobicContact CB-CD1 3.65Å; L150-L155 HydrophobicContact CB-CG 4.38Å; L150-L169 HydrophobicContact CD2-CD1 4.31Å; L150-L169 HydrophobicContact CD2-CD2 4.21Å; L150-V172 HydrophobicContact CD2-CB 4.2Å; L150-V172 HydrophobicContact CD2-CG1 4.06Å; L150-L173 HydrophobicContact CD2-CD2 4.02Å; L150-L173 HydrophobicContact CD2-CG 4.21Å; L150-N178 HydrophobicContact CD1-CB 4.28Å; L150-R179 CarbonylContact C-O 3.55Å; L150-R179 WeakPolarHBondContact CA-O 3.47Å; L150-L180 HydrophobicContact CD1-CB 4.05Å; L150-L180 HydrophobicContact CD1-CD1 4.43Å
151	N	91.9	Very high	95.7	Very high	55 Å²	55	39.6 Å²	39.6	29%	0.294	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	32.9	-179.9	-55.8	-30.9	0	0	0	113.1	I153 T174 N178 R179	N151-I153 VanDerWaalsContact C-N 3.32Å; N151-T174 PolarHBondContact ND2-OG1 3.28Å; N151-N178 PolarHBondContact ND2-OD1 3.3Å; N151-N178 VanDerWaalsContact OD1-CA 3.28Å; N151-N178 WeakPolarHBondContact OD1-CA 3.48Å; N151-R179 PolarHBondContact N-O 3.46Å; N151-R179 PolarHBondContact OD1-N 3.11Å
152	G	90.9	Very high	95.8	Very high	62 Å²	62	39.8 Å²	39.8	64%	0.639	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	-8.3	-176.1	0	0	0	0	0	115.6	L150	L150-G152 PolarHBondContact O-N 2.69Å; L150-G152 VanDerWaalsContact O-N 3.13Å
153	I	93.5	Very high	95.7	Very high	97 Å²	97	41 Å²	41	50%	0.497	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.1	178.6	-57.7	170.4	0	0	0	109	S149 L150 N151 L155 V172	S149-I153 CarbonylContact C-O 3.55Å; S149-I153 WeakPolarHBondContact CA-O 3.39Å; S149-I153 WeakPolarHBondContact CB-O 3.41Å; L150-I153 PolarHBondContact N-O 3.46Å; L150-I153 WeakPolarHBondContact O-CB 3.32Å; L150-I153 PolarHBondContact O-N 2.92Å; N151-I153 VanDerWaalsContact C-N 3.32Å; I153-L155 HydrophobicContact CB-CD2 4.43Å; I153-L155 HydrophobicContact CG2-CD2 3.93Å; I153-L155 PolarHBondContact O-N 3.47Å; I153-V172 HydrophobicContact CD1-CG1 3.95Å
154	L	95.3	Very high	95.4	Very high	83 Å²	83	41.8 Å²	41.8	44%	0.435	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	125	172.1	178	65	0	0	0	110	Q147	Q147-L154 HydrophobicContact CB-CD1 3.83Å
155	L	94.1	Very high	95.2	Very high	49 Å²	49	42.1 Å²	42.1	26%	0.257	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-38.3	-175.9	-56	-176.9	0	0	0	113.3	I148 L150 I153 V167 L169 V172	I148-L155 PolarHBondContact O-N 2.88Å; L150-L155 HydrophobicContact CB-CD1 3.65Å; L150-L155 HydrophobicContact CB-CG 4.38Å; I153-L155 HydrophobicContact CB-CD2 4.43Å; I153-L155 HydrophobicContact CG2-CD2 3.93Å; I153-L155 PolarHBondContact O-N 3.47Å; L155-V167 HydrophobicContact CB-CG1 3.6Å; L155-V167 HydrophobicContact CD1-CG1 3.72Å; L155-V167 HydrophobicContact CG-CG1 4.3Å; L155-L169 HydrophobicContact CD1-CD2 3.42Å; L155-L169 VanDerWaalsContact CD1-CD2 3.42Å; L155-V172 HydrophobicContact CD2-CG1 4.25Å; L155-V172 HydrophobicContact CD2-CG2 4.17Å
156	K	94.8	Very high	94.9	Very high	73 Å²	73	42.5 Å²	42.5	32%	0.317	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	152.1	-176.5	179.6	161.6	177.5	165.5	0	111.8	I148 T166 V167	I148-K156 HydrophobicContact CD1-CB 4.29Å; I148-K156 HydrophobicContact CD1-CG 4.47Å; I148-K156 PolarHBondContact N-O 3.26Å; I148-K156 PolarHBondContact O-N 3.16Å; K156-T166 VanDerWaalsContact CD-O 3.29Å; K156-T166 WeakPolarHBondContact CD-O 3.32Å; K156-T166 PolarHBondContact NZ-O 3.36Å; K156-V167 HydrophobicContact CB-CG2 3.87Å; K156-V167 HydrophobicContact CD-CG2 3.89Å; K156-V167 HydrophobicContact CG-CG2 4.44Å
157	R	95.7	Very high	94.6	Very high	149 Å²	149	43 Å²	43	56%	0.562	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	147	162.8	-61.2	-172.3	179.9	169	2.1	109.9	A146 Q147	A146-R157 CarbonylContact O-C 3.45Å; A146-R157 WeakPolarHBondContact O-CA 3.45Å; Q147-R157 HydrophobicContact CG-CG 4.33Å
158	A	95.2	Very high	94.2	Very high	8 Å²	8	42 Å²	42	7%	0.066	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138	169.7	0	0	0	0	0	108.1	L142 T144 I145 A146 S165	L142-A158 HydrophobicContact CD1-CB 3.93Å; T144-A158 CarbonylContact O-C 3.09Å; T144-A158 VanDerWaalsContact O-O 3.09Å; I145-A158 CarbonylContact C-O 3.54Å; I145-A158 WeakPolarHBondContact CA-O 3.2Å; A146-A158 HydrophobicContact CB-CB 4.47Å; A146-A158 PolarHBondContact N-O 3.34Å; A146-A158 PolarHBondContact O-N 3.03Å; A158-S165 WeakPolarHBondContact CB-OG 3.38Å
159	E	95.5	Very high	93.9	Very high	111 Å²	111	42.2 Å²	42.2	52%	0.519	23%	0.226	S	C	.	.			trans	-139.9	13.2	-170.2	-58.5	-179.9	175.2	0	0	111.6	I145	I145-E159 HydrophobicContact CG2-CG 4.48Å
160	N	97.6	Very high	93.4	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.027	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-145.4	120.9	-176.1	-174.8	-35.4	0	0	0	110	H162 L163 R225 S467 E471	N160-H162 PolarHBondContact O-N 2.99Å; N160-H162 WeakPolarHBondContact OD1-CA 3.29Å; N160-H162 WeakPolarHBondContact OD1-CB 3.39Å; N160-H162 PolarHBondContact OD1-N 2.99Å; N160-L163 HydrophobicContact CB-CB 4.37Å; N160-L163 HydrophobicContact CB-CD1 4.07Å; N160-L163 HydrophobicContact CB-CG 4.39Å; N160-L163 PolarHBondContact O-N 3.36Å; N160-R225 HydrophobicContact CB-CB 3.96Å; N160-R225 VanDerWaalsContact ND2-CB 3.3Å; N160-R225 WeakPolarHBondContact ND2-CB 3.23Å; N160-S467 PolarHBondContact ND2-OG 3.08Å; N160-S467 VanDerWaalsContact ND2-OG 3.14Å; N160-E471 PolarHBondContact ND2-OE2 2.89Å; N160-E471 PolarHBondContact OD1-OE2 2.81Å
161	M	97.7	Very high	92.9	Very high	3 Å²	3	50 Å²	50	2%	0.015	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.2	-179.3	-169.2	-175.2	-176.5	0	0	112.6	L142 D143 R225 K226 M227 Y245 L400	L142-M161 WeakPolarHBondContact O-CA 3.49Å; D143-M161 HydrophobicContact CB-CE 4.32Å; D143-M161 HydrophobicContact CB-CG 4.19Å; M161-R225 WeakPolarHBondContact CB-O 3.48Å; M161-R225 PolarHBondContact N-O 3.11Å; M161-K226 HydrophobicContact CB-CB 4.5Å; M161-K226 HydrophobicContact SD-CB 4.48Å; M161-K226 HydrophobicContact SD-CG 4.02Å; M161-M227 HydrophobicContact SD-CB 4.07Å; M161-M227 PolarHBondContact SD-N 2.84Å; M161-Y245 HydrophobicContact CE-CD1 4.4Å; M161-Y245 HydrophobicContact CE-CD2 4.06Å; M161-Y245 HydrophobicContact CE-CE1 4.25Å; M161-Y245 HydrophobicContact CE-CE2 3.87Å; M161-Y245 HydrophobicContact CE-CG 4.32Å; M161-Y245 HydrophobicContact CG-CD1 4.36Å; M161-Y245 HydrophobicContact CG-CE1 3.69Å; M161-Y245 VanDerWaalsContact O-CE1 3.28Å; M161-Y245 WeakPolarHBondContact O-CE1 3.36Å; M161-Y245 PolarHBondContact O-OH 3.17Å; M161-L400 HydrophobicContact CE-CD1 3.72Å
162	H	96.8	Very high	92.6	Very high	3 Å²	3	49 Å²	49	1%	0.014	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.5	-168.1	-50.8	-54.1	0	0	0	113.1	N160 Y431 E471 F474 Q475	N160-H162 PolarHBondContact O-N 2.99Å; N160-H162 WeakPolarHBondContact OD1-CA 3.29Å; N160-H162 WeakPolarHBondContact OD1-CB 3.39Å; N160-H162 PolarHBondContact OD1-N 2.99Å; H162-Y431 HydrophobicContact CB-CD2 3.76Å; H162-Y431 HydrophobicContact CB-CE2 3.67Å; H162-Y431 AromaticContact CD2-CE2 3.9Å; H162-Y431 AromaticContact CG-CD2 3.64Å; H162-Y431 AromaticContact CG-CE2 3.56Å; H162-Y431 AromaticContact ND1-CD2 3.68Å; H162-E471 HydrophobicContact CB-CG 3.79Å; H162-E471 IonicContact CD2-OE1 3.14Å; H162-E471 IonicContact CD2-OE2 2.93Å; H162-F474 WeakPolarHBondContact O-CD1 3.48Å; H162-Q475 PolarHBondContact O-NE2 2.8Å
163	L	94.6	Very high	92.1	Very high	27 Å²	27	47.1 Å²	47.1	14%	0.141	24%	0.239	C	C	.	.	S	Bend	trans	-109.7	144.5	177.1	-81.1	175.4	0	0	0	112.9	N160 Q470 E471 F474	N160-L163 HydrophobicContact CB-CB 4.37Å; N160-L163 HydrophobicContact CB-CD1 4.07Å; N160-L163 HydrophobicContact CB-CG 4.39Å; N160-L163 PolarHBondContact O-N 3.36Å; L163-Q470 HydrophobicContact CD1-CB 3.82Å; L163-Q470 HydrophobicContact CD2-CB 4.23Å; L163-E471 HydrophobicContact CG-CB 4.32Å; L163-F474 HydrophobicContact CD2-CB 3.77Å; L163-F474 HydrophobicContact CD2-CD1 3.96Å; L163-F474 HydrophobicContact CD2-CG 4Å
164	S	92.3	Very high	91.3	Very high	21 Å²	21	45.8 Å²	45.8	15%	0.147	24%	0.235	C	C	.	.			trans	-80.8	144.2	169.4	65.4	0	0	0	0	111.7	F139 F474	F139-S164 CarbonylContact O-C 3.56Å; F139-S164 WeakPolarHBondContact O-CA 3.23Å; S164-F474 WeakPolarHBondContact OG-CE2 3Å; S164-F474 WeakPolarHBondContact OG-CZ 3.46Å
165	S	91.8	Very high	90.2	Very high	7 Å²	7	45.2 Å²	45.2	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	95	179.8	-84.7	0	0	0	0	111.6	F139 A158	F139-S165 PolarHBondContact N-O 2.89Å; F139-S165 PolarHBondContact O-N 2.66Å; A158-S165 WeakPolarHBondContact CB-OG 3.38Å
166	T	91.3	Very high	89.5	Confident	30 Å²	30	43.6 Å²	43.6	18%	0.184	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	142.4	166.2	-47.6	0	0	0	0	110.7	L137 F138 K156	L137-T166 CarbonylContact O-C 3.54Å; L137-T166 WeakPolarHBondContact O-CA 3.46Å; F138-T166 HydrophobicContact CD1-CG2 4.04Å; F138-T166 VanDerWaalsContact CD1-OG1 3.23Å; F138-T166 WeakPolarHBondContact CD1-OG1 3.03Å; F138-T166 HydrophobicContact CD2-CG2 4.33Å; F138-T166 HydrophobicContact CE1-CG2 3.7Å; F138-T166 WeakPolarHBondContact CE1-OG1 3.43Å; F138-T166 HydrophobicContact CE2-CG2 4Å; F138-T166 HydrophobicContact CG-CG2 4.35Å; F138-T166 HydrophobicContact CZ-CG2 3.67Å; K156-T166 VanDerWaalsContact CD-O 3.29Å; K156-T166 WeakPolarHBondContact CD-O 3.32Å; K156-T166 PolarHBondContact NZ-O 3.36Å
167	V	91.7	Very high	89.1	Confident	11 Å²	11	45.1 Å²	45.1	7%	0.067	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	134.7	176	-174.2	0	0	0	0	109.4	L137 I148 L155 K156 L169	L137-V167 HydrophobicContact CB-CB 4.35Å; L137-V167 PolarHBondContact N-O 3.03Å; L137-V167 PolarHBondContact O-N 3.06Å; I148-V167 HydrophobicContact CD1-CG2 3.94Å; I148-V167 HydrophobicContact CG2-CG2 4.42Å; L155-V167 HydrophobicContact CB-CG1 3.6Å; L155-V167 HydrophobicContact CD1-CG1 3.72Å; L155-V167 HydrophobicContact CG-CG1 4.3Å; K156-V167 HydrophobicContact CB-CG2 3.87Å; K156-V167 HydrophobicContact CD-CG2 3.89Å; K156-V167 HydrophobicContact CG-CG2 4.44Å; V167-L169 HydrophobicContact CB-CD2 4.46Å; V167-L169 HydrophobicContact CG1-CD2 3.86Å
168	D	90.8	Very high	88.8	Confident	68 Å²	68	38 Å²	38	36%	0.364	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.8	174.6	-167.6	-17.1	0	0	0	110.8	K134 L136 S170	K134-D168 IonicContact NZ-OD2 2.71Å; K134-D168 PolarHBondContact NZ-OD2 3.41Å; L136-D168 HydrophobicContact CD2-CB 3.77Å; D168-S170 WeakPolarHBondContact OD1-CB 3.32Å; D168-S170 PolarHBondContact OD1-N 3.2Å; D168-S170 PolarHBondContact OD1-OG 3.3Å
169	L	89.6	Confident	88.7	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	24%	0.237	C	C	.	.			trans	-102.8	1	-179.2	-54	-167.8	0	0	0	113.4	K135 L137 L150 L155 V167 N171 V172 L173 L250	K135-L169 WeakPolarHBondContact O-CA 3.18Å; K135-L169 WeakPolarHBondContact O-CB 3.25Å; K135-L169 PolarHBondContact O-N 2.94Å; L137-L169 HydrophobicContact CB-CD1 3.79Å; L137-L169 HydrophobicContact CB-CD2 4.23Å; L137-L169 HydrophobicContact CB-CG 3.86Å; L137-L169 HydrophobicContact CD2-CD1 4.18Å; L137-L169 HydrophobicContact CD2-CD2 4.31Å; L150-L169 HydrophobicContact CD2-CD1 4.31Å; L150-L169 HydrophobicContact CD2-CD2 4.21Å; L155-L169 HydrophobicContact CD1-CD2 3.42Å; L155-L169 VanDerWaalsContact CD1-CD2 3.42Å; V167-L169 HydrophobicContact CB-CD2 4.46Å; V167-L169 HydrophobicContact CG1-CD2 3.86Å; L169-N171 PolarHBondContact O-N 3.41Å; L169-V172 PolarHBondContact O-N 3.38Å; L169-L173 HydrophobicContact CB-CD1 3.61Å; L169-L173 HydrophobicContact CB-CG 3.85Å; L169-L173 HydrophobicContact CD1-CD1 4.08Å; L169-L173 HydrophobicContact CD1-CD2 4.28Å; L169-L173 HydrophobicContact CD1-CG 4.22Å; L169-L173 PolarHBondContact O-N 2.91Å; L169-L173 VanDerWaalsContact O-N 3.17Å; L169-L250 HydrophobicContact CD1-CD1 3.98Å
170	S	85.9	Confident	88.7	Confident	21 Å²	21	37.4 Å²	37.4	15%	0.147	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.1	-166.5	-53.1	0	0	0	0	114.1	K134 K135 D168	K134-S170 WeakPolarHBondContact CA-OG 3.27Å; K135-S170 PolarHBondContact N-OG 3.21Å; D168-S170 WeakPolarHBondContact OD1-CB 3.32Å; D168-S170 PolarHBondContact OD1-N 3.2Å; D168-S170 PolarHBondContact OD1-OG 3.3Å
171	N	84.2	Confident	88.7	Confident	165 Å²	165	38.3 Å²	38.3	88%	0.882	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	0.8	-178.2	-60.9	-12.1	0	0	0	113.9	L169	L169-N171 PolarHBondContact O-N 3.41Å
172	V	84.7	Confident	88.7	Confident	33 Å²	33	38.2 Å²	38.2	20%	0.2	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-22.7	-170.3	-163	0	0	0	0	113.1	L150 I153 L155 L169 T174	L150-V172 HydrophobicContact CD2-CB 4.2Å; L150-V172 HydrophobicContact CD2-CG1 4.06Å; I153-V172 HydrophobicContact CD1-CG1 3.95Å; L155-V172 HydrophobicContact CD2-CG1 4.25Å; L155-V172 HydrophobicContact CD2-CG2 4.17Å; L169-V172 PolarHBondContact O-N 3.38Å; V172-T174 PolarHBondContact O-N 3.19Å
173	L	80.4	Confident	88.7	Confident	23 Å²	23	39.7 Å²	39.7	12%	0.12	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-67.3	117.4	175.6	-78.3	161.5	0	0	0	111.7	F120 L122 K135 L150 L169 N178	F120-L173 HydrophobicContact CE2-CD2 3.66Å; F120-L173 HydrophobicContact CZ-CD2 3.69Å; L122-L173 HydrophobicContact CD1-CB 4.16Å; L122-L173 HydrophobicContact CD1-CD2 4.19Å; K135-L173 HydrophobicContact CB-CD1 3.91Å; K135-L173 HydrophobicContact CD-CD1 3.7Å; K135-L173 HydrophobicContact CG-CD1 4.42Å; L150-L173 HydrophobicContact CD2-CD2 4.02Å; L150-L173 HydrophobicContact CD2-CG 4.21Å; L169-L173 HydrophobicContact CB-CD1 3.61Å; L169-L173 HydrophobicContact CB-CG 3.85Å; L169-L173 HydrophobicContact CD1-CD1 4.08Å; L169-L173 HydrophobicContact CD1-CD2 4.28Å; L169-L173 HydrophobicContact CD1-CG 4.22Å; L169-L173 PolarHBondContact O-N 2.91Å; L169-L173 VanDerWaalsContact O-N 3.17Å; L173-N178 HydrophobicContact CD2-CB 4.44Å
174	T	76.8	Confident	88.9	Confident	68 Å²	68	38.7 Å²	38.7	42%	0.417	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-86.6	156.9	175.4	55.6	0	0	0	0	111.1	N151 V172 N178	N151-T174 PolarHBondContact ND2-OG1 3.28Å; V172-T174 PolarHBondContact O-N 3.19Å; T174-N178 PolarHBondContact N-OD1 3.31Å; T174-N178 PolarHBondContact O-ND2 2.91Å; T174-N178 PolarHBondContact OG1-OD1 2.98Å
175	A	72.8	Confident	89.2	Confident	72 Å²	72	39 Å²	39	60%	0.595	23%	0.228	S	C	*	.	S	Bend	trans	-69.7	138.3	169.1	0	0	0	0	0	110.2
176	G	79.3	Confident	89.5	Confident	14 Å²	14	38.7 Å²	38.7	14%	0.144	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.2	-138.9	-175.2	0	0	0	0	0	113.3	R121 L122 N178	R121-G176 CarbonylContact C-O 3.56Å; R121-G176 WeakPolarHBondContact CA-O 3.4Å; L122-G176 PolarHBondContact N-O 2.86Å; L122-G176 VanDerWaalsContact O-CA 3.31Å; L122-G176 WeakPolarHBondContact O-CA 3.48Å; L122-G176 PolarHBondContact O-N 2.7Å; G176-N178 PolarHBondContact O-ND2 3.5Å
177	I	86.5	Confident	89.8	Confident	106 Å²	106	37.3 Å²	37.3	54%	0.544	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.4	-171.5	-56.8	174.5	0	0	0	109.9	T119 R121	T119-I177 HydrophobicContact CG2-CG2 4.47Å; R121-I177 HydrophobicContact CB-CG1 4.34Å; R121-I177 HydrophobicContact CG-CG1 4.15Å
178	N	88.9	Confident	90.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141.6	171.8	-71	-102.6	0	0	0	109.4	T119 F120 L150 N151 L173 T174 G176	T119-N178 VanDerWaalsContact CA-O 3.3Å; T119-N178 WeakPolarHBondContact CA-O 2.92Å; F120-N178 HydrophobicContact CD2-CB 4.34Å; F120-N178 HydrophobicContact CE1-CB 4.12Å; F120-N178 HydrophobicContact CE2-CB 3.81Å; F120-N178 HydrophobicContact CZ-CB 3.69Å; F120-N178 PolarHBondContact N-O 2.83Å; F120-N178 VanDerWaalsContact N-O 3.1Å; F120-N178 PolarHBondContact O-N 2.96Å; L150-N178 HydrophobicContact CD1-CB 4.28Å; N151-N178 PolarHBondContact ND2-OD1 3.3Å; N151-N178 VanDerWaalsContact OD1-CA 3.28Å; N151-N178 WeakPolarHBondContact OD1-CA 3.48Å; L173-N178 HydrophobicContact CD2-CB 4.44Å; T174-N178 PolarHBondContact N-OD1 3.31Å; T174-N178 PolarHBondContact O-ND2 2.91Å; T174-N178 PolarHBondContact OG1-OD1 2.98Å; G176-N178 PolarHBondContact O-ND2 3.5Å
179	R	94.3	Very high	90.5	Very high	103 Å²	103	38.9 Å²	38.9	39%	0.389	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117	176.4	-173.5	-177.4	-173.2	-135.9	-0.6	109.3	T119 L150 N151 E181	T119-R179 HydrophobicContact CG2-CB 4.23Å; T119-R179 HydrophobicContact CG2-CG 4.14Å; L150-R179 CarbonylContact C-O 3.55Å; L150-R179 WeakPolarHBondContact CA-O 3.47Å; N151-R179 PolarHBondContact N-O 3.46Å; N151-R179 PolarHBondContact OD1-N 3.11Å; R179-E181 HydrophobicContact CG-CG 4.14Å; R179-E181 IonicContact CZ-OE1 3.32Å; R179-E181 IonicContact CZ-OE2 3.68Å; R179-E181 IonicContact NE-OE1 3.73Å; R179-E181 IonicContact NE-OE2 3.63Å; R179-E181 IonicContact NH1-OE1 3.94Å; R179-E181 PolarHBondContact NH1-OE1 2.92Å; R179-E181 IonicContact NH1-OE2 2.68Å; R179-E181 PolarHBondContact NH1-OE2 2.98Å; R179-E181 IonicContact NH2-OE1 2.73Å; R179-E181 PolarHBondContact NH2-OE1 2.78Å; R179-E181 IonicContact NH2-OE2 3.27Å
180	L	95.2	Very high	90.9	Very high	2 Å²	2	41 Å²	41	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.4	176.2	171.8	63.7	0	0	0	108.8	W65 S117 T118 F120 L137 F139 I148 L150 I182	W65-L180 HydrophobicContact CH2-CD2 3.75Å; W65-L180 HydrophobicContact CH2-CG 4.18Å; W65-L180 HydrophobicContact CZ2-CD2 4.31Å; S117-L180 CarbonylContact C-O 3.44Å; S117-L180 VanDerWaalsContact CA-O 3.29Å; S117-L180 WeakPolarHBondContact CA-O 3.48Å; T118-L180 HydrophobicContact CG2-CB 4.25Å; T118-L180 HydrophobicContact CG2-CD2 4.43Å; T118-L180 PolarHBondContact N-O 3.2Å; T118-L180 PolarHBondContact O-N 2.98Å; F120-L180 HydrophobicContact CE1-CB 4.07Å; L137-L180 HydrophobicContact CD2-CD1 3.82Å; L137-L180 HydrophobicContact CD2-CD2 4.14Å; F139-L180 HydrophobicContact CZ-CD2 4.35Å; I148-L180 HydrophobicContact CG2-CD1 4.16Å; L150-L180 HydrophobicContact CD1-CB 4.05Å; L150-L180 HydrophobicContact CD1-CD1 4.43Å; L180-I182 HydrophobicContact CD1-CD1 4.21Å; L180-I182 HydrophobicContact CD2-CD1 4.4Å; L180-I182 HydrophobicContact CG-CD1 3.93Å
181	E	97	Very high	91.4	Very high	25 Å²	25	40 Å²	40	12%	0.117	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.4	-179.9	-57.7	-176.6	88.7	0	0	110.7	T115 Y116 S149 R179	T115-E181 HydrophobicContact CG2-CB 4.3Å; Y116-E181 CarbonylContact O-C 3.59Å; Y116-E181 WeakPolarHBondContact O-CA 3.38Å; S149-E181 PolarHBondContact N-O 3.1Å; S149-E181 PolarHBondContact O-N 3.49Å; R179-E181 HydrophobicContact CG-CG 4.14Å; R179-E181 IonicContact CZ-OE1 3.32Å; R179-E181 IonicContact CZ-OE2 3.68Å; R179-E181 IonicContact NE-OE1 3.73Å; R179-E181 IonicContact NE-OE2 3.63Å; R179-E181 IonicContact NH1-OE1 3.94Å; R179-E181 PolarHBondContact NH1-OE1 2.92Å; R179-E181 IonicContact NH1-OE2 2.68Å; R179-E181 PolarHBondContact NH1-OE2 2.98Å; R179-E181 IonicContact NH2-OE1 2.73Å; R179-E181 PolarHBondContact NH2-OE1 2.78Å; R179-E181 IonicContact NH2-OE2 3.27Å
182	I	97.7	Very high	92.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	102.1	175.6	-58.9	87.4	0	0	0	106.8	W65 Y116 F139 L142 A146 Q147 I148 L180 F184 I244	W65-I182 HydrophobicContact CH2-CD1 3.55Å; W65-I182 HydrophobicContact CZ3-CD1 3.55Å; Y116-I182 PolarHBondContact N-O 2.64Å; Y116-I182 PolarHBondContact O-N 2.72Å; F139-I182 HydrophobicContact CE1-CD1 3.95Å; F139-I182 HydrophobicContact CE1-CG1 4.12Å; F139-I182 HydrophobicContact CZ-CD1 3.78Å; F139-I182 HydrophobicContact CZ-CG1 3.88Å; L142-I182 HydrophobicContact CD2-CG2 4.47Å; A146-I182 HydrophobicContact CB-CG2 3.92Å; Q147-I182 CarbonylContact O-C 3.55Å; Q147-I182 WeakPolarHBondContact O-CA 3.49Å; I148-I182 HydrophobicContact CG1-CG1 4.36Å; I148-I182 HydrophobicContact CG2-CG1 4.49Å; L180-I182 HydrophobicContact CD1-CD1 4.21Å; L180-I182 HydrophobicContact CD2-CD1 4.4Å; L180-I182 HydrophobicContact CG-CD1 3.93Å; I182-F184 HydrophobicContact CB-CE2 4.22Å; I182-F184 HydrophobicContact CG2-CD2 4.1Å; I182-F184 HydrophobicContact CG2-CE1 4.42Å; I182-F184 HydrophobicContact CG2-CE2 3.5Å; I182-F184 HydrophobicContact CG2-CZ 3.69Å; I182-I244 HydrophobicContact CD1-CD1 4.06Å; I182-I244 HydrophobicContact CG1-CD1 4.41Å
183	A	97.8	Very high	92.7	Very high	35 Å²	35	39.7 Å²	39.7	29%	0.289	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	111.1	-179.4	0	0	0	0	0	110.3	T115 A146 Q147	T115-A183 HydrophobicContact CG2-CB 4.32Å; A146-A183 CarbonylContact C-O 3.6Å; A146-A183 WeakPolarHBondContact CA-O 3.35Å; Q147-A183 PolarHBondContact N-O 2.73Å; Q147-A183 PolarHBondContact O-N 3.04Å
184	F	98.4	Very high	93.5	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.022	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136.9	176.1	-65.7	-90.9	0	0	0	111.4	N113 W114 Y116 L142 D143 I145 A146 I182 V242 G243 I244	N113-F184 WeakPolarHBondContact CA-O 3.3Å; W114-F184 PolarHBondContact N-O 2.91Å; W114-F184 WeakPolarHBondContact O-CB 3.22Å; W114-F184 PolarHBondContact O-N 3.18Å; Y116-F184 AromaticContact CD2-CD2 3.78Å; Y116-F184 HydrophobicContact CD2-CD2 3.78Å; Y116-F184 AromaticContact CD2-CE2 3.63Å; Y116-F184 HydrophobicContact CD2-CE2 3.63Å; Y116-F184 HydrophobicContact CE2-CD2 4.26Å; Y116-F184 HydrophobicContact CE2-CE2 4.16Å; Y116-F184 HydrophobicContact CG-CE2 4.32Å; L142-F184 HydrophobicContact CB-CE1 4.29Å; L142-F184 HydrophobicContact CD2-CZ 4.09Å; D143-F184 WeakPolarHBondContact O-CD1 3.44Å; D143-F184 WeakPolarHBondContact O-CE1 3.07Å; I145-F184 CarbonylContact O-C 3.59Å; I145-F184 VanDerWaalsContact O-CA 3.28Å; I145-F184 WeakPolarHBondContact O-CA 3.45Å; A146-F184 HydrophobicContact CB-CD1 3.69Å; A146-F184 HydrophobicContact CB-CE1 3.66Å; A146-F184 HydrophobicContact CB-CG 4.35Å; A146-F184 HydrophobicContact CB-CZ 4.29Å; I182-F184 HydrophobicContact CB-CE2 4.22Å; I182-F184 HydrophobicContact CG2-CD2 4.1Å; I182-F184 HydrophobicContact CG2-CE1 4.42Å; I182-F184 HydrophobicContact CG2-CE2 3.5Å; I182-F184 HydrophobicContact CG2-CZ 3.69Å; F184-V242 HydrophobicContact CB-CB 3.9Å; F184-V242 HydrophobicContact CB-CG1 4.25Å; F184-V242 HydrophobicContact CB-CG2 3.95Å; F184-V242 HydrophobicContact CD1-CB 4.05Å; F184-V242 HydrophobicContact CG-CB 4.02Å; F184-V242 HydrophobicContact CG-CG2 4.35Å; F184-G243 WeakPolarHBondContact CZ-O 3.47Å; F184-I244 HydrophobicContact CE2-CG1 4.15Å; F184-I244 HydrophobicContact CZ-CG1 3.96Å
185	A	98.1	Very high	94.5	Very high	28 Å²	28	38 Å²	38	23%	0.231	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-91	149.1	169	0	0	0	0	0	110.9	N113 I145 P187	N113-A185 WeakPolarHBondContact OD1-CA 3.32Å; I145-A185 HydrophobicContact CB-CB 4.31Å; I145-A185 HydrophobicContact CG2-CB 4.17Å; I145-A185 PolarHBondContact O-N 3.18Å; A185-P187 WeakPolarHBondContact O-CD 3.4Å
186	S	98.2	Very high	95.7	Very high	1 Å²	1	38 Å²	38	1%	0.007	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-54.1	121.4	172.1	166	0	0	0	0	110.5	A110 L111 N113 V188 L189 Q190	A110-S186 WeakPolarHBondContact O-CB 3.43Å; A110-S186 PolarHBondContact O-OG 2.96Å; L111-S186 WeakPolarHBondContact CA-OG 3.35Å; N113-S186 PolarHBondContact OD1-N 3.32Å; S186-V188 VanDerWaalsContact C-N 3.32Å; S186-V188 PolarHBondContact O-N 3.47Å; S186-V188 PolarHBondContact OG-N 3.28Å; S186-L189 PolarHBondContact OG-N 2.96Å; S186-Q190 VanDerWaalsContact O-CB 3.29Å; S186-Q190 WeakPolarHBondContact O-CB 3.4Å; S186-Q190 PolarHBondContact O-N 2.93Å
187	P	98.1	Very high	96.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-68	-34.1	178.8	26.6	-32.9	0	0	0	111.3	I145 A185 Q190 A191 L224 K226 F231 P240 V242	I145-P187 HydrophobicContact CD1-CB 4.18Å; A185-P187 WeakPolarHBondContact O-CD 3.4Å; P187-Q190 PolarHBondContact O-N 2.98Å; P187-A191 WeakPolarHBondContact O-CB 3.33Å; P187-A191 PolarHBondContact O-N 3.1Å; P187-L224 HydrophobicContact CB-CD1 3.73Å; P187-L224 WeakPolarHBondContact O-CD1 3.11Å; P187-K226 HydrophobicContact CB-CD 4.28Å; P187-F231 HydrophobicContact CB-CE2 4.35Å; P187-F231 HydrophobicContact CB-CZ 4.2Å; P187-P240 HydrophobicContact CG-CB 3.74Å; P187-P240 WeakPolarHBondContact CG-O 3.32Å; P187-V242 HydrophobicContact CG-CG1 4.14Å
188	V	97.9	Very high	97.1	Very high	15 Å²	15	37 Å²	37	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-47.8	178.2	-178.8	0	0	0	0	111.3	A110 L111 S186 K192 D218 F231 P240	A110-V188 HydrophobicContact CB-CG2 4.26Å; L111-V188 HydrophobicContact CD2-CB 4.03Å; L111-V188 HydrophobicContact CD2-CG1 3.84Å; S186-V188 VanDerWaalsContact C-N 3.32Å; S186-V188 PolarHBondContact O-N 3.47Å; S186-V188 PolarHBondContact OG-N 3.28Å; V188-K192 PolarHBondContact O-N 3.11Å; V188-K192 VanDerWaalsContact O-N 3.16Å; V188-D218 HydrophobicContact CG1-CB 4.25Å; V188-D218 WeakPolarHBondContact CG1-OD1 3.33Å; V188-D218 HydrophobicContact CG2-CB 4.03Å; V188-F231 HydrophobicContact CG2-CE1 4.26Å; V188-F231 HydrophobicContact CG2-CZ 4.32Å; V188-P240 HydrophobicContact CG2-CB 3.8Å; V188-P240 HydrophobicContact CG2-CG 3.74Å
189	L	98	Very high	97.5	Very high	96 Å²	96	40.1 Å²	40.1	50%	0.503	20%	0.198	S	C	.	.	H	α-helix	trans	-68.3	-38.7	179.2	-63	-179.2	0	0	0	111.7	L111 S186 K193	L111-L189 HydrophobicContact CD2-CD2 4.03Å; L111-L189 HydrophobicContact CD2-CG 4.24Å; L111-L189 WeakPolarHBondContact O-CD1 3.45Å; S186-L189 PolarHBondContact OG-N 2.96Å; L189-K193 WeakPolarHBondContact O-CB 3.2Å; L189-K193 PolarHBondContact O-N 2.77Å
190	Q	97.8	Very high	97.6	Very high	47 Å²	47	42.5 Å²	42.5	22%	0.22	22%	0.218	C	C	.	.	H	α-helix	trans	-72.2	-36.5	178.6	-175.4	58.1	30.7	0	0	112.6	I145 S186 P187 K193 L194	I145-Q190 HydrophobicContact CD1-CB 4.16Å; I145-Q190 HydrophobicContact CD1-CG 4.09Å; I145-Q190 HydrophobicContact CG1-CG 3.99Å; I145-Q190 HydrophobicContact CG2-CG 4.42Å; S186-Q190 VanDerWaalsContact O-CB 3.29Å; S186-Q190 WeakPolarHBondContact O-CB 3.4Å; S186-Q190 PolarHBondContact O-N 2.93Å; P187-Q190 PolarHBondContact O-N 2.98Å; Q190-K193 PolarHBondContact O-N 2.98Å; Q190-L194 HydrophobicContact CG-CD1 4.19Å; Q190-L194 VanDerWaalsContact O-CG 3.31Å; Q190-L194 WeakPolarHBondContact O-CG 3.35Å; Q190-L194 PolarHBondContact O-N 2.93Å
191	A	98.1	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-49.8	173.5	0	0	0	0	0	111.3	P187 K193 L194 S195 H220 L224 F231	P187-A191 WeakPolarHBondContact O-CB 3.33Å; P187-A191 PolarHBondContact O-N 3.1Å; A191-K193 VanDerWaalsContact C-N 3.35Å; A191-K193 PolarHBondContact O-N 2.94Å; A191-L194 PolarHBondContact O-N 2.8Å; A191-S195 PolarHBondContact O-N 2.86Å; A191-H220 HydrophobicContact CB-CB 4.15Å; A191-L224 HydrophobicContact CB-CD1 3.96Å; A191-L224 HydrophobicContact CB-CG 4Å; A191-F231 HydrophobicContact CB-CE1 4.14Å; A191-F231 HydrophobicContact CB-CZ 4.22Å
192	K	97.9	Very high	97.6	Very high	97 Å²	97	50 Å²	50	42%	0.422	26%	0.262	S	S	.	.	H	α-helix	trans	-58.1	-47	173.2	172.6	160.1	175.4	49.9	0	111.5	V188 L194 S195 D196	V188-K192 PolarHBondContact O-N 3.11Å; V188-K192 VanDerWaalsContact O-N 3.16Å; K192-L194 VanDerWaalsContact C-N 3.31Å; K192-L194 PolarHBondContact O-N 2.82Å; K192-S195 WeakPolarHBondContact O-CB 3.49Å; K192-S195 PolarHBondContact O-N 2.98Å; K192-S195 VanDerWaalsContact O-N 3.13Å; K192-D196 VanDerWaalsContact CE-OD2 3.31Å; K192-D196 WeakPolarHBondContact CE-OD2 3.3Å; K192-D196 WeakPolarHBondContact CG-OD2 3.44Å; K192-D196 IonicContact NZ-OD1 3.71Å; K192-D196 PolarHBondContact NZ-OD1 3.34Å; K192-D196 IonicContact NZ-OD2 2.78Å; K192-D196 PolarHBondContact NZ-OD2 3.34Å; K192-D196 VanDerWaalsContact O-CG 3.31Å; K192-D196 PolarHBondContact O-N 2.91Å
193	K	97.9	Very high	97.6	Very high	95 Å²	95	53.1 Å²	53.1	41%	0.413	29%	0.294	S	S	.	.	H	α-helix	trans	-56	-46.2	179.8	-170.1	-159.8	170	-138.3	0	111.7	L189 Q190 A191 S195 D196 E197	L189-K193 WeakPolarHBondContact O-CB 3.2Å; L189-K193 PolarHBondContact O-N 2.77Å; Q190-K193 PolarHBondContact O-N 2.98Å; A191-K193 VanDerWaalsContact C-N 3.35Å; A191-K193 PolarHBondContact O-N 2.94Å; K193-S195 VanDerWaalsContact C-N 3.34Å; K193-S195 PolarHBondContact O-N 2.85Å; K193-D196 PolarHBondContact O-N 2.8Å; K193-E197 WeakPolarHBondContact CE-OE1 3.45Å; K193-E197 VanDerWaalsContact CE-OE2 3.31Å; K193-E197 WeakPolarHBondContact CE-OE2 3.49Å; K193-E197 IonicContact NZ-OE1 3.33Å; K193-E197 PolarHBondContact NZ-OE1 2.8Å; K193-E197 IonicContact NZ-OE2 3.68Å; K193-E197 PolarHBondContact NZ-OE2 3.17Å; K193-E197 WeakPolarHBondContact O-CB 3.24Å; K193-E197 WeakPolarHBondContact O-CG 3.47Å; K193-E197 PolarHBondContact O-N 2.84Å
194	L	97.4	Very high	97.5	Very high	57 Å²	57	52.7 Å²	52.7	30%	0.298	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-35.2	178.7	-70.9	168.3	0	0	0	112.4	Q190 A191 K192 Y198 F223 L224	Q190-L194 HydrophobicContact CG-CD1 4.19Å; Q190-L194 VanDerWaalsContact O-CG 3.31Å; Q190-L194 WeakPolarHBondContact O-CG 3.35Å; Q190-L194 PolarHBondContact O-N 2.93Å; A191-L194 PolarHBondContact O-N 2.8Å; K192-L194 VanDerWaalsContact C-N 3.31Å; K192-L194 PolarHBondContact O-N 2.82Å; L194-Y198 VanDerWaalsContact O-CB 3.31Å; L194-Y198 WeakPolarHBondContact O-CB 3.5Å; L194-Y198 PolarHBondContact O-N 2.82Å; L194-F223 HydrophobicContact CB-CB 3.93Å; L194-F223 HydrophobicContact CB-CD1 4.04Å; L194-F223 HydrophobicContact CB-CG 4.27Å; L194-L224 HydrophobicContact CD1-CD2 3.81Å
195	S	97.8	Very high	97.4	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-44.8	171.7	-170.4	0	0	0	0	111.9	A191 K192 K193 Y198 E199 H220 F223	A191-S195 PolarHBondContact O-N 2.86Å; K192-S195 WeakPolarHBondContact O-CB 3.49Å; K192-S195 PolarHBondContact O-N 2.98Å; K192-S195 VanDerWaalsContact O-N 3.13Å; K193-S195 VanDerWaalsContact C-N 3.34Å; K193-S195 PolarHBondContact O-N 2.85Å; S195-Y198 PolarHBondContact O-N 2.89Å; S195-E199 WeakPolarHBondContact O-CB 3.39Å; S195-E199 PolarHBondContact O-N 2.78Å; S195-H220 VanDerWaalsContact CB-ND1 3.33Å; S195-H220 WeakPolarHBondContact CB-ND1 3.18Å; S195-H220 PolarHBondContact OG-CE1 2.79Å; S195-H220 PolarHBondContact OG-ND1 3.26Å; S195-F223 WeakPolarHBondContact OG-CE2 3.44Å
196	D	97.7	Very high	97.3	Very high	72 Å²	72	51.7 Å²	51.7	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-65.7	-40.4	178.6	-63.7	-25.4	0	0	0	111.4	K192 K193 L200	K192-D196 VanDerWaalsContact CE-OD2 3.31Å; K192-D196 WeakPolarHBondContact CE-OD2 3.3Å; K192-D196 WeakPolarHBondContact CG-OD2 3.44Å; K192-D196 IonicContact NZ-OD1 3.71Å; K192-D196 PolarHBondContact NZ-OD1 3.34Å; K192-D196 IonicContact NZ-OD2 2.78Å; K192-D196 PolarHBondContact NZ-OD2 3.34Å; K192-D196 VanDerWaalsContact O-CG 3.31Å; K192-D196 PolarHBondContact O-N 2.91Å; K193-D196 PolarHBondContact O-N 2.8Å; D196-L200 WeakPolarHBondContact O-CB 2.78Å; D196-L200 PolarHBondContact O-N 3.01Å
197	E	97.6	Very high	97.2	Very high	92 Å²	92	51.8 Å²	51.8	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-67	-36	175.2	-75.2	177.7	146.3	0	0	112.2	K193 A201	K193-E197 WeakPolarHBondContact CE-OE1 3.45Å; K193-E197 VanDerWaalsContact CE-OE2 3.31Å; K193-E197 WeakPolarHBondContact CE-OE2 3.49Å; K193-E197 IonicContact NZ-OE1 3.33Å; K193-E197 PolarHBondContact NZ-OE1 2.8Å; K193-E197 IonicContact NZ-OE2 3.68Å; K193-E197 PolarHBondContact NZ-OE2 3.17Å; K193-E197 WeakPolarHBondContact O-CB 3.24Å; K193-E197 WeakPolarHBondContact O-CG 3.47Å; K193-E197 PolarHBondContact O-N 2.84Å; E197-A201 VanDerWaalsContact O-CB 3.24Å; E197-A201 WeakPolarHBondContact O-CB 3.39Å; E197-A201 PolarHBondContact O-N 3.22Å; E197-A201 VanDerWaalsContact O-N 3.11Å
198	Y	97.5	Very high	96.9	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.027	29%	0.286	C	S	.	.	H	α-helix	trans	-73.4	-46.6	177.3	-168.5	-82.2	0	0	0	112.5	L194 S195 L200 A201 Y202 Y204 I206 F223 P459 V460 N461	L194-Y198 VanDerWaalsContact O-CB 3.31Å; L194-Y198 WeakPolarHBondContact O-CB 3.5Å; L194-Y198 PolarHBondContact O-N 2.82Å; S195-Y198 PolarHBondContact O-N 2.89Å; Y198-L200 PolarHBondContact O-N 2.85Å; Y198-A201 PolarHBondContact O-N 2.8Å; Y198-Y202 AromaticContact CD1-CD2 3.94Å; Y198-Y202 HydrophobicContact CD1-CD2 3.94Å; Y198-Y202 HydrophobicContact CD1-CG 4.28Å; Y198-Y202 AromaticContact CD2-CD2 3.58Å; Y198-Y202 HydrophobicContact CD2-CD2 3.58Å; Y198-Y202 AromaticContact CD2-CE2 3.73Å; Y198-Y202 HydrophobicContact CD2-CE2 3.73Å; Y198-Y202 HydrophobicContact CD2-CG 4.49Å; Y198-Y202 AromaticContact CE1-CD2 3.87Å; Y198-Y202 HydrophobicContact CE1-CD2 3.87Å; Y198-Y202 AromaticContact CE1-CG 3.87Å; Y198-Y202 HydrophobicContact CE1-CG 3.87Å; Y198-Y202 AromaticContact CE2-CD2 3.53Å; Y198-Y202 HydrophobicContact CE2-CD2 3.53Å; Y198-Y202 AromaticContact CE2-CE2 3.58Å; Y198-Y202 HydrophobicContact CE2-CE2 3.58Å; Y198-Y202 HydrophobicContact CE2-CG 4.12Å; Y198-Y202 AromaticContact CG-CD2 3.8Å; Y198-Y202 HydrophobicContact CG-CD2 3.8Å; Y198-Y202 HydrophobicContact CG-CE2 4.39Å; Y198-Y202 AromaticContact CZ-CD2 3.69Å; Y198-Y202 AromaticContact CZ-CG 3.8Å; Y198-Y202 PolarHBondContact O-N 3.39Å; Y198-Y204 HydrophobicContact CE1-CD2 4.47Å; Y198-Y204 AromaticContact CE1-CE2 3.89Å; Y198-Y204 HydrophobicContact CE1-CE2 3.89Å; Y198-Y204 AromaticContact CE1-CZ 3.95Å; Y198-Y204 PolarHBondContact OH-OH 2.8Å; Y198-I206 HydrophobicContact CD1-CD1 4.37Å; Y198-I206 HydrophobicContact CD1-CG1 4.01Å; Y198-I206 HydrophobicContact CE1-CD1 3.61Å; Y198-I206 HydrophobicContact CE1-CG1 3.75Å; Y198-F223 HydrophobicContact CD1-CE1 4.37Å; Y198-F223 HydrophobicContact CD1-CZ 4.48Å; Y198-F223 HydrophobicContact CD2-CE1 4.17Å; Y198-F223 AromaticContact CG-CE1 3.79Å; Y198-F223 HydrophobicContact CG-CE1 3.79Å; Y198-F223 HydrophobicContact CG-CZ 4.32Å; Y198-P459 HydrophobicContact CD2-CB 3.62Å; Y198-P459 HydrophobicContact CE2-CB 3.34Å; Y198-P459 HydrophobicContact CG-CB 4.37Å; Y198-V460 PolarHBondContact OH-N 2.74Å; Y198-N461 HydrophobicContact CD2-CB 4.26Å; Y198-N461 HydrophobicContact CE2-CB 3.97Å
199	E	96.5	Very high	96.8	Very high	64 Å²	64	55.5 Å²	55.5	30%	0.299	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-34.8	179.6	-169	166.2	169.3	0	0	111	S195 G203 Y204 D205 K209	S195-E199 WeakPolarHBondContact O-CB 3.39Å; S195-E199 PolarHBondContact O-N 2.78Å; E199-G203 VanDerWaalsContact O-CA 3.24Å; E199-G203 WeakPolarHBondContact O-CA 3.33Å; E199-G203 PolarHBondContact O-N 3.29Å; E199-Y204 WeakPolarHBondContact CA-O 3.35Å; E199-D205 HydrophobicContact CG-CB 4.43Å; E199-K209 VanDerWaalsContact CD-NZ 3.25Å; E199-K209 IonicContact OE1-NZ 3.56Å; E199-K209 PolarHBondContact OE1-NZ 2.8Å; E199-K209 WeakPolarHBondContact OE2-CE 3.32Å; E199-K209 IonicContact OE2-NZ 2.75Å; E199-K209 PolarHBondContact OE2-NZ 3.41Å
200	L	97	Very high	96.6	Very high	154 Å²	154	53.3 Å²	53.3	81%	0.806	29%	0.287	S	S	*	.	H	α-helix	trans	-69.7	-38.3	171.1	-179.2	62.1	0	0	0	113.9	D196 Y198	D196-L200 WeakPolarHBondContact O-CB 2.78Å; D196-L200 PolarHBondContact O-N 3.01Å; Y198-L200 PolarHBondContact O-N 2.85Å
201	A	97.1	Very high	96.3	Very high	76 Å²	76	53 Å²	53	63%	0.628	29%	0.289	S	S	*	.	H	α-helix	trans	-83.2	-31.6	-174.6	0	0	0	0	0	114.1	E197 Y198	E197-A201 VanDerWaalsContact O-CB 3.24Å; E197-A201 WeakPolarHBondContact O-CB 3.39Å; E197-A201 PolarHBondContact O-N 3.22Å; E197-A201 VanDerWaalsContact O-N 3.11Å; Y198-A201 PolarHBondContact O-N 2.8Å
202	Y	95.9	Very high	95.8	Very high	108 Å²	108	54.9 Å²	54.9	42%	0.424	30%	0.299	S	S	.	.	H	α-helix	trans	-110.2	-15	-176	-70.2	-90.1	0	0	0	113.5	Y198 Y204 N461	Y198-Y202 AromaticContact CD1-CD2 3.94Å; Y198-Y202 HydrophobicContact CD1-CD2 3.94Å; Y198-Y202 HydrophobicContact CD1-CG 4.28Å; Y198-Y202 AromaticContact CD2-CD2 3.58Å; Y198-Y202 HydrophobicContact CD2-CD2 3.58Å; Y198-Y202 AromaticContact CD2-CE2 3.73Å; Y198-Y202 HydrophobicContact CD2-CE2 3.73Å; Y198-Y202 HydrophobicContact CD2-CG 4.49Å; Y198-Y202 AromaticContact CE1-CD2 3.87Å; Y198-Y202 HydrophobicContact CE1-CD2 3.87Å; Y198-Y202 AromaticContact CE1-CG 3.87Å; Y198-Y202 HydrophobicContact CE1-CG 3.87Å; Y198-Y202 AromaticContact CE2-CD2 3.53Å; Y198-Y202 HydrophobicContact CE2-CD2 3.53Å; Y198-Y202 AromaticContact CE2-CE2 3.58Å; Y198-Y202 HydrophobicContact CE2-CE2 3.58Å; Y198-Y202 HydrophobicContact CE2-CG 4.12Å; Y198-Y202 AromaticContact CG-CD2 3.8Å; Y198-Y202 HydrophobicContact CG-CD2 3.8Å; Y198-Y202 HydrophobicContact CG-CE2 4.39Å; Y198-Y202 AromaticContact CZ-CD2 3.69Å; Y198-Y202 AromaticContact CZ-CG 3.8Å; Y198-Y202 PolarHBondContact O-N 3.39Å; Y202-Y204 VanDerWaalsContact C-N 3.34Å; Y202-Y204 VanDerWaalsContact O-CD1 3.31Å; Y202-Y204 WeakPolarHBondContact O-CD1 3.2Å; Y202-N461 HydrophobicContact CE2-CB 3.89Å; Y202-N461 WeakPolarHBondContact OH-CA 3.44Å; Y202-N461 VanDerWaalsContact OH-CB 3.31Å; Y202-N461 WeakPolarHBondContact OH-CB 3.33Å
203	G	96.4	Very high	95.5	Very high	66 Å²	66	54.5 Å²	54.5	68%	0.68	31%	0.314	S	S	*	.	S	Bend	trans	80.1	9.3	177.1	0	0	0	0	0	115.1	E199	E199-G203 VanDerWaalsContact O-CA 3.24Å; E199-G203 WeakPolarHBondContact O-CA 3.33Å; E199-G203 PolarHBondContact O-N 3.29Å
204	Y	96.5	Very high	95.3	Very high	25 Å²	25	53.1 Å²	53.1	10%	0.098	31%	0.31	C	S	.	.	S	Bend	trans	-148.9	162.3	177.3	66.8	-90.4	0	0	0	112.3	Y198 E199 Y202 I206 T505 A506 T510 Y511 D514	Y198-Y204 HydrophobicContact CE1-CD2 4.47Å; Y198-Y204 AromaticContact CE1-CE2 3.89Å; Y198-Y204 HydrophobicContact CE1-CE2 3.89Å; Y198-Y204 AromaticContact CE1-CZ 3.95Å; Y198-Y204 PolarHBondContact OH-OH 2.8Å; E199-Y204 WeakPolarHBondContact CA-O 3.35Å; Y202-Y204 VanDerWaalsContact C-N 3.34Å; Y202-Y204 VanDerWaalsContact O-CD1 3.31Å; Y202-Y204 WeakPolarHBondContact O-CD1 3.2Å; Y204-I206 HydrophobicContact CD2-CD1 4.27Å; Y204-I206 HydrophobicContact CE2-CD1 3.65Å; Y204-T505 VanDerWaalsContact CA-OG1 3.31Å; Y204-T505 WeakPolarHBondContact CA-OG1 3.49Å; Y204-A506 HydrophobicContact CD1-CB 4.38Å; Y204-A506 HydrophobicContact CD2-CB 3.73Å; Y204-A506 HydrophobicContact CE2-CB 4.47Å; Y204-A506 HydrophobicContact CG-CB 3.69Å; Y204-T510 HydrophobicContact CD1-CG2 4.42Å; Y204-T510 HydrophobicContact CE1-CG2 3.83Å; Y204-T510 HydrophobicContact CE2-CG2 4.15Å; Y204-Y511 AromaticContact CD2-CE1 3.85Å; Y204-Y511 HydrophobicContact CD2-CE1 3.85Å; Y204-Y511 HydrophobicContact CE2-CE1 4.03Å; Y204-D514 PolarHBondContact OH-OD2 3.2Å
205	D	95.9	Very high	95.1	Very high	13 Å²	13	51 Å²	51	7%	0.07	30%	0.299	C	S	.	.			trans	-99	161.7	-179.6	66.1	5.2	0	0	0	114.1	E199 P207 K209 G504 T505 Y511	E199-D205 HydrophobicContact CG-CB 4.43Å; D205-P207 WeakPolarHBondContact O-CD 3.36Å; D205-K209 HydrophobicContact CB-CD 4.31Å; D205-K209 VanDerWaalsContact CB-CE 3.47Å; D205-K209 VanDerWaalsContact CB-NZ 3.29Å; D205-K209 WeakPolarHBondContact OD2-CD 3.14Å; D205-K209 WeakPolarHBondContact OD2-CE 3.27Å; D205-K209 IonicContact OD2-NZ 3.86Å; D205-K209 PolarHBondContact OD2-NZ 3.44Å; D205-G504 WeakPolarHBondContact OD1-CA 3.29Å; D205-T505 PolarHBondContact N-OG1 3.49Å; D205-T505 PolarHBondContact OD1-N 2.98Å; D205-T505 PolarHBondContact OD1-OG1 2.77Å; D205-Y511 WeakPolarHBondContact O-CE1 3.42Å; D205-Y511 PolarHBondContact O-OH 3.19Å; D205-Y511 PolarHBondContact OD1-OH 2.7Å
206	I	96.9	Very high	94.9	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.31	C	S	.	.			trans	-109.6	104.5	177.3	-53.6	-64	0	0	0	109.2	Y198 Y204 N222 F223 L457 P459 Y511	Y198-I206 HydrophobicContact CD1-CD1 4.37Å; Y198-I206 HydrophobicContact CD1-CG1 4.01Å; Y198-I206 HydrophobicContact CE1-CD1 3.61Å; Y198-I206 HydrophobicContact CE1-CG1 3.75Å; Y204-I206 HydrophobicContact CD2-CD1 4.27Å; Y204-I206 HydrophobicContact CE2-CD1 3.65Å; I206-N222 WeakPolarHBondContact CG2-ND2 3.46Å; I206-N222 PolarHBondContact O-ND2 3.07Å; I206-F223 HydrophobicContact CB-CE2 3.92Å; I206-F223 HydrophobicContact CB-CZ 3.72Å; I206-F223 HydrophobicContact CG1-CE1 4.29Å; I206-F223 HydrophobicContact CG1-CE2 4.35Å; I206-F223 HydrophobicContact CG1-CZ 3.62Å; I206-L457 HydrophobicContact CG2-CB 3.68Å; I206-L457 WeakPolarHBondContact CG2-O 3.43Å; I206-P459 HydrophobicContact CG1-CB 4.25Å; I206-Y511 HydrophobicContact CD1-CE1 4.48Å
207	P	94.3	Very high	94.8	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.019	30%	0.298	C	S	.	.	S	Bend	trans	-77.7	159	-179	31.4	-37.5	0	0	0	113.7	D205 L457 F502 H503	D205-P207 WeakPolarHBondContact O-CD 3.36Å; P207-L457 HydrophobicContact CG-CD1 3.96Å; P207-L457 HydrophobicContact CG-CG 4.46Å; P207-L457 PolarHBondContact O-N 3.39Å; P207-F502 HydrophobicContact CG-CB 3.94Å; P207-H503 WeakPolarHBondContact CB-O 3.34Å
208	P	93.8	Very high	94.8	Very high	31 Å²	31	46 Å²	46	20%	0.201	28%	0.278	C	S	.	.			cis	-77.1	136.5	-6.4	32	-34.2	0	0	0	111.7	S1495	P208-S1495 WeakPolarHBondContact CB-OG 3.41Å
209	K	93.9	Very high	94.7	Very high	63 Å²	63	47.4 Å²	47.4	27%	0.274	29%	0.288	S	S	.	.	S	Bend	trans	-65.6	-39.2	179.8	-93.4	176.5	156.4	153.2	0	112.7	E199 D205 C219 H220	E199-K209 VanDerWaalsContact CD-NZ 3.25Å; E199-K209 IonicContact OE1-NZ 3.56Å; E199-K209 PolarHBondContact OE1-NZ 2.8Å; E199-K209 WeakPolarHBondContact OE2-CE 3.32Å; E199-K209 IonicContact OE2-NZ 2.75Å; E199-K209 PolarHBondContact OE2-NZ 3.41Å; D205-K209 HydrophobicContact CB-CD 4.31Å; D205-K209 VanDerWaalsContact CB-CE 3.47Å; D205-K209 VanDerWaalsContact CB-NZ 3.29Å; D205-K209 WeakPolarHBondContact OD2-CD 3.14Å; D205-K209 WeakPolarHBondContact OD2-CE 3.27Å; D205-K209 IonicContact OD2-NZ 3.86Å; D205-K209 PolarHBondContact OD2-NZ 3.44Å; K209-C219 VanDerWaalsContact O-CB 3.27Å; K209-C219 WeakPolarHBondContact O-CB 3.38Å; K209-H220 PolarHBondContact O-N 2.68Å
210	C	93.9	Very high	94.8	Very high	49 Å²	49	45.3 Å²	45.3	33%	0.331	28%	0.279	S	S	.	.	S	Bend	trans	-142.8	151.7	179.9	-65.4	0	0	0	0	111.2	C219	C210-C219 HydrophobicContact CB-CB 4.03Å; C210-C219 WeakPolarHBondContact CB-SG 3.35Å; C210-C219 WeakPolarHBondContact SG-CB 3.29Å; C210-C219 CovalentContact SG-SG 2.04Å; C210-C219 PolarHBondContact SG-SG 3.19Å
211	P	92.5	Very high	94.8	Very high	41 Å²	41	39.4 Å²	39.4	27%	0.266	25%	0.249	S	C	.	.			trans	-66.4	169.1	169.1	27.7	-33.7	0	0	0	112.2	Q215 D218	P211-Q215 VanDerWaalsContact CB-OE1 3.27Å; P211-D218 WeakPolarHBondContact CD-O 3.26Å; P211-D218 WeakPolarHBondContact CG-O 3.5Å
212	L	88.2	Confident	94.8	Very high	39 Å²	39	35.9 Å²	35.9	20%	0.204	22%	0.219	C	C	.	.			trans	-63.7	140	174.2	-93.1	173	0	0	0	111.4	I214 Q215 P624 Q1494	L212-I214 HydrophobicContact CB-CG2 4.17Å; L212-I214 PolarHBondContact O-N 3.01Å; L212-I214 VanDerWaalsContact O-N 3.11Å; L212-Q215 HydrophobicContact CB-CG 4.22Å; L212-Q215 WeakPolarHBondContact O-CB 3.31Å; L212-Q215 PolarHBondContact O-N 3.42Å; L212-P624 HydrophobicContact CD1-CG 4.03Å; L212-Q1494 VanDerWaalsContact CD2-O 3.3Å; L212-Q1494 WeakPolarHBondContact CD2-O 3.39Å; L212-Q1494 WeakPolarHBondContact CG-O 3.16Å
213	A	91.5	Very high	94.9	Very high	90 Å²	90	31.2 Å²	31.2	74%	0.744	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-58	-30.5	-175.3	0	0	0	0	0	114.1	Q215 N216	A213-Q215 PolarHBondContact O-N 3.36Å; A213-N216 PolarHBondContact O-N 3.02Å
214	I	92.1	Very high	94.9	Very high	65 Å²	65	28.3 Å²	28.3	33%	0.333	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-65.6	-19.3	176.2	-166.2	175.2	0	0	0	113.3	L212 N216 Q621 H622	L212-I214 HydrophobicContact CB-CG2 4.17Å; L212-I214 PolarHBondContact O-N 3.01Å; L212-I214 VanDerWaalsContact O-N 3.11Å; I214-N216 VanDerWaalsContact C-N 3.3Å; I214-N216 PolarHBondContact O-N 3.43Å; I214-Q621 WeakPolarHBondContact CD1-O 3.21Å; I214-Q621 VanDerWaalsContact CG1-O 3.25Å; I214-Q621 WeakPolarHBondContact CG1-O 3.4Å; I214-H622 WeakPolarHBondContact CG2-O 3.36Å; I214-H622 PolarHBondContact O-CD2 2.87Å
215	Q	93.8	Very high	95	Very high	14 Å²	14	27.4 Å²	27.4	7%	0.065	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-85.3	0.8	177.7	-53.1	178	-9.2	0	0	113.2	P211 L212 A213 G217 S232 H622	P211-Q215 VanDerWaalsContact CB-OE1 3.27Å; L212-Q215 HydrophobicContact CB-CG 4.22Å; L212-Q215 WeakPolarHBondContact O-CB 3.31Å; L212-Q215 PolarHBondContact O-N 3.42Å; A213-Q215 PolarHBondContact O-N 3.36Å; Q215-G217 PolarHBondContact O-N 2.82Å; Q215-S232 VanDerWaalsContact CB-OG 3.26Å; Q215-S232 WeakPolarHBondContact CB-OG 3.3Å; Q215-S232 WeakPolarHBondContact O-CB 3.49Å; Q215-S232 PolarHBondContact O-OG 2.89Å; Q215-H622 HydrophobicContact CB-CB 4.42Å; Q215-H622 HydrophobicContact CG-CB 4.2Å; Q215-H622 WeakPolarHBondContact CG-O 3.32Å; Q215-H622 PolarHBondContact O-CE1 2.95Å
216	N	94.4	Very high	95.1	Very high	42 Å²	42	27 Å²	27	23%	0.225	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	17	-177	-63.1	-60.4	0	0	0	115.6	V104 R107 A213 I214 H619	V104-N216 HydrophobicContact CG2-CB 4.03Å; R107-N216 PolarHBondContact NH1-O 2.71Å; A213-N216 PolarHBondContact O-N 3.02Å; I214-N216 VanDerWaalsContact C-N 3.3Å; I214-N216 PolarHBondContact O-N 3.43Å; N216-H619 PolarHBondContact ND2-CE1 3.02Å
217	G	95.2	Very high	95.1	Very high	12 Å²	12	27.3 Å²	27.3	12%	0.124	17%	0.166	C	C	.	.			trans	-76.1	178.4	-161.7	0	0	0	0	0	118.4	R107 Q215 F231 S232	R107-G217 VanDerWaalsContact CZ-O 3.26Å; R107-G217 PolarHBondContact NH1-O 3.11Å; R107-G217 VanDerWaalsContact NH1-O 3.09Å; R107-G217 PolarHBondContact NH2-O 2.93Å; Q215-G217 PolarHBondContact O-N 2.82Å; G217-F231 VanDerWaalsContact CA-O 3.25Å; G217-F231 WeakPolarHBondContact CA-O 3.43Å; G217-S232 WeakPolarHBondContact CA-OG 3.37Å
218	D	96.5	Very high	95.3	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.027	17%	0.168	C	C	.	.			trans	-109.8	154.4	173.9	-77.6	-78.5	0	0	0	111.5	R107 V188 P211 F231 S238 P240	R107-D218 IonicContact CZ-OD1 3.75Å; R107-D218 IonicContact CZ-OD2 2.72Å; R107-D218 IonicContact NE-OD1 2.72Å; R107-D218 PolarHBondContact NE-OD1 3.33Å; R107-D218 IonicContact NE-OD2 3.87Å; R107-D218 PolarHBondContact NE-OD2 3.13Å; R107-D218 IonicContact NH2-OD1 3.61Å; R107-D218 PolarHBondContact NH2-OD1 3.34Å; R107-D218 IonicContact NH2-OD2 2.65Å; V188-D218 HydrophobicContact CG1-CB 4.25Å; V188-D218 WeakPolarHBondContact CG1-OD1 3.33Å; V188-D218 HydrophobicContact CG2-CB 4.03Å; P211-D218 WeakPolarHBondContact CD-O 3.26Å; P211-D218 WeakPolarHBondContact CG-O 3.5Å; D218-F231 HydrophobicContact CB-CB 4.33Å; D218-F231 HydrophobicContact CB-CD1 3.49Å; D218-F231 VanDerWaalsContact CB-CD1 3.49Å; D218-F231 HydrophobicContact CB-CE1 4.08Å; D218-F231 HydrophobicContact CB-CG 4.09Å; D218-F231 PolarHBondContact N-O 3.05Å; D218-S238 PolarHBondContact OD2-OG 2.92Å; D218-P240 HydrophobicContact CB-CG 4.29Å
219	C	97.2	Very high	95.5	Very high	35 Å²	35	26.3 Å²	26.3	24%	0.236	16%	0.16	C	C	.	.	S	Bend	trans	-94.6	163.6	-170.1	-59.3	0	0	0	0	113.9	K209 C210 V221 F231	K209-C219 VanDerWaalsContact O-CB 3.27Å; K209-C219 WeakPolarHBondContact O-CB 3.38Å; C210-C219 HydrophobicContact CB-CB 4.03Å; C210-C219 WeakPolarHBondContact CB-SG 3.35Å; C210-C219 WeakPolarHBondContact SG-CB 3.29Å; C210-C219 CovalentContact SG-SG 2.04Å; C210-C219 PolarHBondContact SG-SG 3.19Å; C219-V221 PolarHBondContact O-N 3.14Å; C219-F231 WeakPolarHBondContact O-CE1 3.29Å
220	H	97.2	Very high	95.6	Very high	20 Å²	20	23.5 Å²	23.5	9%	0.093	15%	0.148	C	C	.	.			trans	63.4	23.8	169.8	-46.8	-80.6	0	0	0	117.1	A191 S195 K209 N222 F223	A191-H220 HydrophobicContact CB-CB 4.15Å; S195-H220 VanDerWaalsContact CB-ND1 3.33Å; S195-H220 WeakPolarHBondContact CB-ND1 3.18Å; S195-H220 PolarHBondContact OG-CE1 2.79Å; S195-H220 PolarHBondContact OG-ND1 3.26Å; K209-H220 PolarHBondContact O-N 2.68Å; H220-N222 VanDerWaalsContact C-OD1 3.3Å; H220-N222 PolarHBondContact O-N 3.31Å; H220-N222 PolarHBondContact O-OD1 3Å; H220-F223 HydrophobicContact CB-CD2 4.09Å; H220-F223 PolarHBondContact O-N 3.38Å
221	V	96.9	Very high	95.8	Very high	30 Å²	30	21.3 Å²	21.3	18%	0.182	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-55.3	-29.7	-178.2	69.4	0	0	0	0	113.8	C219 F223 L224 F231	C219-V221 PolarHBondContact O-N 3.14Å; V221-F223 PolarHBondContact O-N 3.44Å; V221-L224 PolarHBondContact O-N 2.92Å; V221-F231 HydrophobicContact CB-CB 3.86Å; V221-F231 HydrophobicContact CB-CD1 3.7Å; V221-F231 HydrophobicContact CB-CD2 4Å; V221-F231 HydrophobicContact CB-CE1 4.2Å; V221-F231 HydrophobicContact CB-CE2 4.46Å; V221-F231 HydrophobicContact CB-CG 3.6Å; V221-F231 HydrophobicContact CG1-CB 4.47Å; V221-F231 HydrophobicContact CG2-CB 3.95Å; V221-F231 HydrophobicContact CG2-CD1 4.12Å; V221-F231 HydrophobicContact CG2-CD2 3.46Å; V221-F231 VanDerWaalsContact CG2-CD2 3.46Å; V221-F231 HydrophobicContact CG2-CE2 3.91Å; V221-F231 HydrophobicContact CG2-CG 3.6Å; V221-F231 HydrophobicContact CG2-CZ 4.42Å
222	N	97.2	Very high	96.1	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.011	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-63.2	-15.6	176.4	59.2	-18.9	0	0	0	115	I206 H220 L224 A456 L457 Y458 P459	I206-N222 WeakPolarHBondContact CG2-ND2 3.46Å; I206-N222 PolarHBondContact O-ND2 3.07Å; H220-N222 VanDerWaalsContact C-OD1 3.3Å; H220-N222 PolarHBondContact O-N 3.31Å; H220-N222 PolarHBondContact O-OD1 3Å; N222-L224 VanDerWaalsContact C-N 3.28Å; N222-A456 HydrophobicContact CB-CB 3.85Å; N222-L457 WeakPolarHBondContact CB-O 3.24Å; N222-L457 PolarHBondContact ND2-O 2.03Å; N222-Y458 HydrophobicContact CB-CD1 3.98Å; N222-Y458 HydrophobicContact CB-CE1 3.94Å; N222-Y458 VanDerWaalsContact O-CD1 3.22Å; N222-Y458 WeakPolarHBondContact O-CD1 3.49Å; N222-P459 WeakPolarHBondContact O-CD 3.27Å
223	F	98	Very high	96.5	Very high	10 Å²	10	18.8 Å²	18.8	4%	0.044	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-80.8	-4.7	171.6	-76.4	-88	0	0	0	113.9	L194 S195 Y198 I206 H220 V221 P459	L194-F223 HydrophobicContact CB-CB 3.93Å; L194-F223 HydrophobicContact CB-CD1 4.04Å; L194-F223 HydrophobicContact CB-CG 4.27Å; S195-F223 WeakPolarHBondContact OG-CE2 3.44Å; Y198-F223 HydrophobicContact CD1-CE1 4.37Å; Y198-F223 HydrophobicContact CD1-CZ 4.48Å; Y198-F223 HydrophobicContact CD2-CE1 4.17Å; Y198-F223 AromaticContact CG-CE1 3.79Å; Y198-F223 HydrophobicContact CG-CE1 3.79Å; Y198-F223 HydrophobicContact CG-CZ 4.32Å; I206-F223 HydrophobicContact CB-CE2 3.92Å; I206-F223 HydrophobicContact CB-CZ 3.72Å; I206-F223 HydrophobicContact CG1-CE1 4.29Å; I206-F223 HydrophobicContact CG1-CE2 4.35Å; I206-F223 HydrophobicContact CG1-CZ 3.62Å; H220-F223 HydrophobicContact CB-CD2 4.09Å; H220-F223 PolarHBondContact O-N 3.38Å; V221-F223 PolarHBondContact O-N 3.44Å; F223-P459 HydrophobicContact CD1-CB 4.24Å; F223-P459 HydrophobicContact CD1-CG 3.78Å; F223-P459 HydrophobicContact CE1-CB 3.84Å; F223-P459 HydrophobicContact CE1-CG 3.88Å
224	L	97.6	Very high	96.6	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.031	9%	0.085	C	C	.	.	S	Bend	trans	-116.6	155.1	178.7	-61.8	-176.2	0	0	0	112.6	I145 P187 A191 L194 V221 N222 K226 F231	I145-L224 HydrophobicContact CD1-CD1 3.98Å; I145-L224 HydrophobicContact CD1-CD2 3.88Å; I145-L224 HydrophobicContact CG1-CD2 4.31Å; P187-L224 HydrophobicContact CB-CD1 3.73Å; P187-L224 WeakPolarHBondContact O-CD1 3.11Å; A191-L224 HydrophobicContact CB-CD1 3.96Å; A191-L224 HydrophobicContact CB-CG 4Å; L194-L224 HydrophobicContact CD1-CD2 3.81Å; V221-L224 PolarHBondContact O-N 2.92Å; N222-L224 VanDerWaalsContact C-N 3.28Å; L224-K226 HydrophobicContact CB-CB 4.34Å; L224-F231 HydrophobicContact CD1-CZ 4.15Å
225	R	98.3	Very high	96.8	Very high	5 Å²	5	12.2 Å²	12.2	2%	0.019	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-99.4	80.8	166.2	-62.9	-52.1	-54	143.3	-1.1	109.2	N160 M161 M452 F453 F464 V468 E471	N160-R225 HydrophobicContact CB-CB 3.96Å; N160-R225 VanDerWaalsContact ND2-CB 3.3Å; N160-R225 WeakPolarHBondContact ND2-CB 3.23Å; M161-R225 WeakPolarHBondContact CB-O 3.48Å; M161-R225 PolarHBondContact N-O 3.11Å; R225-M452 VanDerWaalsContact CZ-O 3.27Å; R225-M452 PolarHBondContact NH1-O 3.05Å; R225-M452 PolarHBondContact NH2-O 3.04Å; R225-F453 VanDerWaalsContact CZ-CE1 3.49Å; R225-F453 VanDerWaalsContact NH1-CE1 3.32Å; R225-F464 VanDerWaalsContact CD-CZ 3.45Å; R225-F464 HydrophobicContact CG-CE2 4.09Å; R225-F464 HydrophobicContact CG-CZ 4.33Å; R225-V468 HydrophobicContact CG-CG2 4.37Å; R225-E471 IonicContact CZ-OE1 3.06Å; R225-E471 IonicContact CZ-OE2 2.63Å; R225-E471 IonicContact NE-OE1 3.17Å; R225-E471 IonicContact NE-OE2 3.41Å; R225-E471 PolarHBondContact NE-OE2 3.32Å; R225-E471 IonicContact NH2-OE1 3.28Å; R225-E471 PolarHBondContact NH2-OE1 3.12Å; R225-E471 IonicContact NH2-OE2 2.64Å; R225-E471 PolarHBondContact NH2-OE2 3.18Å
226	K	97.9	Very high	96.9	Very high	6 Å²	6	11.6 Å²	11.6	3%	0.026	7%	0.067	C	C	.	.	S	Bend	trans	-146.3	158.7	-176.4	177.7	174.4	169.7	61.6	0	108.2	D143 T144 M161 P187 L224 A228 S230 F231 T241	D143-K226 IonicContact OD1-NZ 3.81Å; D143-K226 PolarHBondContact OD1-NZ 3.16Å; D143-K226 IonicContact OD2-NZ 2.72Å; D143-K226 PolarHBondContact OD2-NZ 3.05Å; T144-K226 HydrophobicContact CG2-CB 4.42Å; M161-K226 HydrophobicContact CB-CB 4.5Å; M161-K226 HydrophobicContact SD-CB 4.48Å; M161-K226 HydrophobicContact SD-CG 4.02Å; P187-K226 HydrophobicContact CB-CD 4.28Å; L224-K226 HydrophobicContact CB-CB 4.34Å; K226-A228 PolarHBondContact O-N 3.03Å; K226-A228 VanDerWaalsContact O-N 3.12Å; K226-S230 VanDerWaalsContact CE-OG 3.26Å; K226-S230 WeakPolarHBondContact CE-OG 3.2Å; K226-F231 HydrophobicContact CD-CE2 4.24Å; K226-T241 PolarHBondContact NZ-O 2.92Å
227	M	97.6	Very high	97.1	Very high	6 Å²	6	9.6 Å²	9.6	3%	0.03	6%	0.056	C	C	.	.			trans	-49.1	115.1	171.3	176.2	170.2	89.4	0	0	111.4	M161 S229 S230 P395 L400 G429 A430	M161-M227 HydrophobicContact SD-CB 4.07Å; M161-M227 PolarHBondContact SD-N 2.84Å; M227-S229 PolarHBondContact O-N 3.05Å; M227-S230 WeakPolarHBondContact O-CB 3.33Å; M227-S230 PolarHBondContact O-N 3.47Å; M227-S230 PolarHBondContact O-OG 3.05Å; M227-P395 HydrophobicContact CG-CG 4.45Å; M227-P395 HydrophobicContact SD-CB 3.96Å; M227-P395 HydrophobicContact SD-CG 3.58Å; M227-P395 VanDerWaalsContact SD-CG 3.58Å; M227-L400 HydrophobicContact SD-CD1 4.48Å; M227-L400 HydrophobicContact SD-CD2 4.17Å; M227-L400 HydrophobicContact SD-CG 4.48Å; M227-G429 VanDerWaalsContact CA-O 3.3Å; M227-G429 WeakPolarHBondContact CA-O 3.31Å; M227-G429 WeakPolarHBondContact CB-O 3.24Å; M227-G429 WeakPolarHBondContact CG-O 3.25Å; M227-A430 HydrophobicContact CB-CB 4.5Å
228	A	97.2	Very high	97.2	Very high	8 Å²	8	9.3 Å²	9.3	7%	0.066	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-65.8	-42.5	-169.6	0	0	0	0	0	112.1	K226 S230 F231 W233 G428	K226-A228 PolarHBondContact O-N 3.03Å; K226-A228 VanDerWaalsContact O-N 3.12Å; A228-S230 PolarHBondContact O-N 2.81Å; A228-F231 PolarHBondContact O-N 3.27Å; A228-W233 HydrophobicContact CB-CZ3 4.36Å; A228-G428 PolarHBondContact N-O 2.7Å
229	S	97.5	Very high	97.3	Very high	4 Å²	4	9.1 Å²	9.1	3%	0.028	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-63.6	-7.6	177.7	61.2	0	0	0	0	114.9	M227 F231 S232 G428	M227-S229 PolarHBondContact O-N 3.05Å; S229-F231 PolarHBondContact O-N 3.47Å; S229-S232 CarbonylContact O-C 3.52Å; S229-S232 WeakPolarHBondContact O-CA 3.47Å; S229-S232 PolarHBondContact O-N 3.47Å; S229-G428 PolarHBondContact N-O 2.88Å; S229-G428 VanDerWaalsContact N-O 3.09Å; S229-G428 PolarHBondContact OG-O 2.85Å
230	S	97.7	Very high	97.3	Very high	4 Å²	4	7.6 Å²	7.6	3%	0.028	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-70.4	-16.4	174.3	68.7	0	0	0	0	113.9	K226 M227 A228 F239 P240	K226-S230 VanDerWaalsContact CE-OG 3.26Å; K226-S230 WeakPolarHBondContact CE-OG 3.2Å; M227-S230 WeakPolarHBondContact O-CB 3.33Å; M227-S230 PolarHBondContact O-N 3.47Å; M227-S230 PolarHBondContact O-OG 3.05Å; A228-S230 PolarHBondContact O-N 2.81Å; S230-F239 CarbonylContact O-C 3.58Å; S230-F239 PolarHBondContact O-N 3.21Å; S230-P240 VanDerWaalsContact O-CD 3.3Å; S230-P240 WeakPolarHBondContact O-CD 3.32Å; S230-P240 WeakPolarHBondContact O-CG 3.43Å; S230-P240 VanDerWaalsContact O-N 3.14Å
231	F	98.1	Very high	97.3	Very high	3 Å²	3	6.9 Å²	6.9	1%	0.013	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	19.1	173.1	-80.9	-128.5	0	0	0	112.2	P187 V188 A191 G217 D218 C219 V221 L224 K226 A228 S229 S238 P240	P187-F231 HydrophobicContact CB-CE2 4.35Å; P187-F231 HydrophobicContact CB-CZ 4.2Å; V188-F231 HydrophobicContact CG2-CE1 4.26Å; V188-F231 HydrophobicContact CG2-CZ 4.32Å; A191-F231 HydrophobicContact CB-CE1 4.14Å; A191-F231 HydrophobicContact CB-CZ 4.22Å; G217-F231 VanDerWaalsContact CA-O 3.25Å; G217-F231 WeakPolarHBondContact CA-O 3.43Å; D218-F231 HydrophobicContact CB-CB 4.33Å; D218-F231 HydrophobicContact CB-CD1 3.49Å; D218-F231 VanDerWaalsContact CB-CD1 3.49Å; D218-F231 HydrophobicContact CB-CE1 4.08Å; D218-F231 HydrophobicContact CB-CG 4.09Å; D218-F231 PolarHBondContact N-O 3.05Å; C219-F231 WeakPolarHBondContact O-CE1 3.29Å; V221-F231 HydrophobicContact CB-CB 3.86Å; V221-F231 HydrophobicContact CB-CD1 3.7Å; V221-F231 HydrophobicContact CB-CD2 4Å; V221-F231 HydrophobicContact CB-CE1 4.2Å; V221-F231 HydrophobicContact CB-CE2 4.46Å; V221-F231 HydrophobicContact CB-CG 3.6Å; V221-F231 HydrophobicContact CG1-CB 4.47Å; V221-F231 HydrophobicContact CG2-CB 3.95Å; V221-F231 HydrophobicContact CG2-CD1 4.12Å; V221-F231 HydrophobicContact CG2-CD2 3.46Å; V221-F231 VanDerWaalsContact CG2-CD2 3.46Å; V221-F231 HydrophobicContact CG2-CE2 3.91Å; V221-F231 HydrophobicContact CG2-CG 3.6Å; V221-F231 HydrophobicContact CG2-CZ 4.42Å; L224-F231 HydrophobicContact CD1-CZ 4.15Å; K226-F231 HydrophobicContact CD-CE2 4.24Å; A228-F231 PolarHBondContact O-N 3.27Å; S229-F231 PolarHBondContact O-N 3.47Å; F231-S238 PolarHBondContact O-OG 3.01Å; F231-P240 HydrophobicContact CD2-CB 3.91Å; F231-P240 HydrophobicContact CD2-CG 3.78Å; F231-P240 HydrophobicContact CE2-CB 3.66Å; F231-P240 HydrophobicContact CE2-CG 3.99Å; F231-P240 HydrophobicContact CG-CG 4.07Å; F231-P240 HydrophobicContact CZ-CB 4.19Å; F231-P240 HydrophobicContact CZ-CG 4.45Å
232	S	97.6	Very high	97.4	Very high	4 Å²	4	5.6 Å²	5.6	3%	0.028	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.7	165	-164.2	92	0	0	0	0	115.6	Q215 G217 S229 A236	Q215-S232 VanDerWaalsContact CB-OG 3.26Å; Q215-S232 WeakPolarHBondContact CB-OG 3.3Å; Q215-S232 WeakPolarHBondContact O-CB 3.49Å; Q215-S232 PolarHBondContact O-OG 2.89Å; G217-S232 WeakPolarHBondContact CA-OG 3.37Å; S229-S232 CarbonylContact O-C 3.52Å; S229-S232 WeakPolarHBondContact O-CA 3.47Å; S229-S232 PolarHBondContact O-N 3.47Å; S232-A236 WeakPolarHBondContact CA-O 3.39Å; S232-A236 WeakPolarHBondContact CB-O 3.35Å
233	W	97.5	Very high	97.4	Very high	24 Å²	24	5.5 Å²	5.5	9%	0.091	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	175.1	170.7	-150.8	-94	0	0	0	109.1	A228 W235 A236 W426 A454 V455 H622 F1493	A228-W233 HydrophobicContact CB-CZ3 4.36Å; W233-W235 HydrophobicContact CB-CZ2 4.42Å; W233-W235 AromaticContact CD1-CD1 3.83Å; W233-W235 AromaticContact CD1-CE2 3.44Å; W233-W235 VanDerWaalsContact CD1-CE2 3.44Å; W233-W235 AromaticContact CD1-CZ2 3.71Å; W233-W235 AromaticContact CD1-NE1 3.21Å; W233-W235 HydrophobicContact CG-CZ2 4.05Å; W233-W235 AromaticContact NE1-NE1 3.77Å; W233-W235 PolarHBondContact O-N 2.9Å; W233-A236 HydrophobicContact CB-CB 3.8Å; W233-A236 PolarHBondContact N-O 3.41Å; W233-A236 PolarHBondContact O-N 3.22Å; W233-A236 VanDerWaalsContact O-N 3.09Å; W233-W426 AromaticContact CD2-CH2 3.7Å; W233-W426 HydrophobicContact CD2-CH2 3.7Å; W233-W426 HydrophobicContact CD2-CZ2 4.24Å; W233-W426 AromaticContact CE2-CH2 3.5Å; W233-W426 AromaticContact CE2-CZ2 3.55Å; W233-W426 HydrophobicContact CE3-CH2 4.01Å; W233-W426 HydrophobicContact CG-CH2 4.28Å; W233-W426 AromaticContact CH2-CH2 3.97Å; W233-W426 HydrophobicContact CH2-CH2 3.97Å; W233-W426 AromaticContact CH2-CZ2 3.9Å; W233-W426 HydrophobicContact CH2-CZ2 3.9Å; W233-W426 AromaticContact CZ2-CH2 3.68Å; W233-W426 HydrophobicContact CZ2-CH2 3.68Å; W233-W426 AromaticContact CZ2-CZ2 3.39Å; W233-W426 HydrophobicContact CZ2-CZ2 3.39Å; W233-W426 HydrophobicContact CZ3-CH2 4.13Å; W233-W426 AromaticContact NE1-CH2 3.93Å; W233-W426 AromaticContact NE1-CZ2 3.91Å; W233-A454 HydrophobicContact CH2-CB 4.26Å; W233-V455 HydrophobicContact CH2-CB 3.87Å; W233-V455 HydrophobicContact CH2-CG2 3.9Å; W233-V455 HydrophobicContact CZ2-CB 4.06Å; W233-V455 HydrophobicContact CZ2-CG2 3.67Å; W233-H622 WeakPolarHBondContact O-CB 3.04Å; W233-H622 PolarHBondContact O-ND1 3.03Å; W233-H622 VanDerWaalsContact O-ND1 3.15Å; W233-F1493 AromaticContact CE2-CE1 3.6Å; W233-F1493 AromaticContact CE2-CZ 3.9Å; W233-F1493 HydrophobicContact CH2-CE1 4.46Å; W233-F1493 HydrophobicContact CZ2-CD1 4.4Å; W233-F1493 AromaticContact CZ2-CE1 3.45Å; W233-F1493 HydrophobicContact CZ2-CE1 3.45Å; W233-F1493 VanDerWaalsContact CZ2-CE1 3.45Å; W233-F1493 AromaticContact CZ2-CZ 3.67Å; W233-F1493 HydrophobicContact CZ2-CZ 3.67Å; W233-F1493 AromaticContact NE1-CE1 3.53Å; W233-F1493 AromaticContact NE1-CZ 3.63Å
234	D	93.6	Very high	97.3	Very high	15 Å²	15	5 Å²	5	8%	0.08	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	0.6	178.6	72.3	-15.9	0	0	0	115.4	H622 H623 W713	D234-H622 VanDerWaalsContact C-CB 3.46Å; D234-H622 WeakPolarHBondContact CB-O 3.35Å; D234-H622 CarbonylContact O-C 3.49Å; D234-H622 WeakPolarHBondContact O-CB 3.37Å; D234-H623 HydrophobicContact CB-CB 4.2Å; D234-H623 PolarHBondContact O-N 2.83Å; D234-H623 IonicContact OD2-CE1 3.23Å; D234-H623 IonicContact OD2-CG 3.04Å; D234-H623 IonicContact OD2-ND1 3.49Å; D234-H623 PolarHBondContact OD2-ND1 2.88Å; D234-W713 HydrophobicContact CB-CH2 4.39Å; D234-W713 VanDerWaalsContact OD2-CH2 3.26Å; D234-W713 WeakPolarHBondContact OD2-CH2 3.46Å
235	W	95.6	Very high	97.3	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.008	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	9.4	167	44	-95.9	0	0	0	113.6	W233 V394 W426 W702 V707 W708 W713	W233-W235 HydrophobicContact CB-CZ2 4.42Å; W233-W235 AromaticContact CD1-CD1 3.83Å; W233-W235 AromaticContact CD1-CE2 3.44Å; W233-W235 VanDerWaalsContact CD1-CE2 3.44Å; W233-W235 AromaticContact CD1-CZ2 3.71Å; W233-W235 AromaticContact CD1-NE1 3.21Å; W233-W235 HydrophobicContact CG-CZ2 4.05Å; W233-W235 AromaticContact NE1-NE1 3.77Å; W233-W235 PolarHBondContact O-N 2.9Å; W235-V394 HydrophobicContact CE3-CG2 4.44Å; W235-V394 HydrophobicContact CH2-CB 3.65Å; W235-V394 HydrophobicContact CH2-CG1 3.58Å; W235-V394 HydrophobicContact CH2-CG2 4.33Å; W235-V394 HydrophobicContact CZ2-CB 4.29Å; W235-V394 HydrophobicContact CZ2-CG1 3.7Å; W235-V394 HydrophobicContact CZ3-CB 3.82Å; W235-V394 HydrophobicContact CZ3-CG1 4.09Å; W235-V394 HydrophobicContact CZ3-CG2 4.01Å; W235-W426 HydrophobicContact CH2-CE3 4.19Å; W235-W426 HydrophobicContact CH2-CH2 4.2Å; W235-W426 AromaticContact CH2-CZ3 3.61Å; W235-W426 HydrophobicContact CH2-CZ3 3.61Å; W235-W426 HydrophobicContact CZ2-CE3 4.08Å; W235-W426 AromaticContact CZ2-CH2 3.73Å; W235-W426 HydrophobicContact CZ2-CH2 3.73Å; W235-W426 HydrophobicContact CZ2-CZ2 4.43Å; W235-W426 AromaticContact CZ2-CZ3 3.52Å; W235-W426 HydrophobicContact CZ2-CZ3 3.52Å; W235-W702 AromaticContact CD1-NE1 3.81Å; W235-W702 AromaticContact CE2-CZ2 3.69Å; W235-W702 HydrophobicContact CZ2-CH2 4.32Å; W235-W702 AromaticContact CZ2-CZ2 3.73Å; W235-W702 HydrophobicContact CZ2-CZ2 3.73Å; W235-W702 AromaticContact NE1-CE2 3.77Å; W235-W702 AromaticContact NE1-CZ2 3.4Å; W235-W702 AromaticContact NE1-NE1 3.57Å; W235-V707 HydrophobicContact CE3-CG2 4.29Å; W235-V707 HydrophobicContact CZ3-CB 4.44Å; W235-V707 HydrophobicContact CZ3-CG2 3.71Å; W235-W708 PolarHBondContact O-NE1 3.23Å; W235-W713 HydrophobicContact CB-CE3 4.31Å; W235-W713 HydrophobicContact CB-CZ3 4Å; W235-W713 AromaticContact CD1-CE3 3.89Å; W235-W713 AromaticContact CD1-CZ3 3.62Å; W235-W713 HydrophobicContact CG-CE3 4.44Å; W235-W713 HydrophobicContact CG-CZ3 4.22Å
236	A	97.2	Very high	97.1	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.008	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.7	-174.6	0	0	0	0	0	113.9	S232 W233 H622 V707	S232-A236 WeakPolarHBondContact CA-O 3.39Å; S232-A236 WeakPolarHBondContact CB-O 3.35Å; W233-A236 HydrophobicContact CB-CB 3.8Å; W233-A236 PolarHBondContact N-O 3.41Å; W233-A236 PolarHBondContact O-N 3.22Å; W233-A236 VanDerWaalsContact O-N 3.09Å; A236-H622 PolarHBondContact O-CE1 3.08Å; A236-H622 VanDerWaalsContact O-CE1 3.31Å; A236-H622 PolarHBondContact O-ND1 3.47Å; A236-V707 HydrophobicContact CB-CG1 4.35Å
237	P	97.7	Very high	96.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	159.7	179.7	34.9	-34.3	0	0	0	113	Y98 D103 F239 S398 W708	Y98-P237 HydrophobicContact CE1-CG 4.35Å; D103-P237 HydrophobicContact CB-CB 4.22Å; P237-F239 HydrophobicContact CB-CD2 3.96Å; P237-F239 HydrophobicContact CB-CE2 3.72Å; P237-F239 HydrophobicContact CG-CD2 3.65Å; P237-F239 HydrophobicContact CG-CE2 3.66Å; P237-F239 PolarHBondContact O-N 3.23Å; P237-S398 WeakPolarHBondContact CG-OG 3.32Å; P237-W708 HydrophobicContact CB-CD2 4.06Å; P237-W708 HydrophobicContact CB-CE3 3.83Å; P237-W708 HydrophobicContact CB-CH2 3.99Å; P237-W708 HydrophobicContact CB-CZ2 4.2Å; P237-W708 HydrophobicContact CB-CZ3 3.81Å; P237-W708 HydrophobicContact CG-CD2 3.8Å; P237-W708 HydrophobicContact CG-CE3 3.88Å; P237-W708 HydrophobicContact CG-CG 4.1Å; P237-W708 HydrophobicContact CG-CZ3 4.38Å
238	S	97.9	Very high	96.5	Very high	5 Å²	5	8.6 Å²	8.6	4%	0.035	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	101.1	170.8	-154.5	0	0	0	0	110.8	D218 F231	D218-S238 PolarHBondContact OD2-OG 2.92Å; F231-S238 PolarHBondContact O-OG 3.01Å
239	F	97.8	Very high	96.2	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.009	5%	0.047	C	C	.	.			trans	-128.8	79	163.3	-66.7	-62.1	0	0	0	111.4	H85 P97 Y98 D103 S230 P237 T241 F399	H85-F239 AromaticContact CD2-CD1 3.98Å; H85-F239 AromaticContact NE2-CD1 3.77Å; P97-F239 HydrophobicContact CB-CD1 4.42Å; P97-F239 HydrophobicContact CB-CE1 3.67Å; P97-F239 HydrophobicContact CB-CE2 4.04Å; P97-F239 HydrophobicContact CB-CZ 3.46Å; P97-F239 VanDerWaalsContact CB-CZ 3.46Å; P97-F239 WeakPolarHBondContact O-CZ 3.4Å; Y98-F239 AromaticContact CD1-CE2 3.88Å; Y98-F239 HydrophobicContact CD1-CE2 3.88Å; Y98-F239 HydrophobicContact CE1-CD2 4.1Å; Y98-F239 AromaticContact CE1-CE2 3.81Å; Y98-F239 HydrophobicContact CE1-CE2 3.81Å; D103-F239 HydrophobicContact CB-CE1 4.34Å; D103-F239 HydrophobicContact CB-CE2 4.34Å; D103-F239 HydrophobicContact CB-CZ 3.79Å; S230-F239 CarbonylContact O-C 3.58Å; S230-F239 PolarHBondContact O-N 3.21Å; P237-F239 HydrophobicContact CB-CD2 3.96Å; P237-F239 HydrophobicContact CB-CE2 3.72Å; P237-F239 HydrophobicContact CG-CD2 3.65Å; P237-F239 HydrophobicContact CG-CE2 3.66Å; P237-F239 PolarHBondContact O-N 3.23Å; F239-T241 PolarHBondContact O-N 2.95Å; F239-F399 HydrophobicContact CB-CE1 3.72Å; F239-F399 HydrophobicContact CB-CZ 3.94Å; F239-F399 HydrophobicContact CD1-CE1 4.41Å; F239-F399 HydrophobicContact CD1-CZ 4.02Å; F239-F399 HydrophobicContact CD2-CE1 4.37Å; F239-F399 HydrophobicContact CD2-CE2 4.37Å; F239-F399 AromaticContact CD2-CZ 3.72Å; F239-F399 HydrophobicContact CD2-CZ 3.72Å; F239-F399 HydrophobicContact CE2-CZ 4.27Å; F239-F399 AromaticContact CG-CE1 3.93Å; F239-F399 HydrophobicContact CG-CE1 3.93Å; F239-F399 AromaticContact CG-CZ 3.61Å; F239-F399 HydrophobicContact CG-CZ 3.61Å
240	P	97.8	Very high	95.9	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.013	5%	0.048	C	C	.	.			trans	-70.4	64	171.1	-18.6	33.7	0	0	0	111.8	A110 P187 V188 D218 S230 F231	A110-P240 HydrophobicContact CB-CB 4.01Å; A110-P240 HydrophobicContact CB-CG 4.26Å; A110-P240 WeakPolarHBondContact CB-O 3.46Å; P187-P240 HydrophobicContact CG-CB 3.74Å; P187-P240 WeakPolarHBondContact CG-O 3.32Å; V188-P240 HydrophobicContact CG2-CB 3.8Å; V188-P240 HydrophobicContact CG2-CG 3.74Å; D218-P240 HydrophobicContact CB-CG 4.29Å; S230-P240 VanDerWaalsContact O-CD 3.3Å; S230-P240 WeakPolarHBondContact O-CD 3.32Å; S230-P240 WeakPolarHBondContact O-CG 3.43Å; S230-P240 VanDerWaalsContact O-N 3.14Å; F231-P240 HydrophobicContact CD2-CB 3.91Å; F231-P240 HydrophobicContact CD2-CG 3.78Å; F231-P240 HydrophobicContact CE2-CB 3.66Å; F231-P240 HydrophobicContact CE2-CG 3.99Å; F231-P240 HydrophobicContact CG-CG 4.07Å; F231-P240 HydrophobicContact CZ-CB 4.19Å; F231-P240 HydrophobicContact CZ-CG 4.45Å
241	T	97.5	Very high	95.5	Very high	5 Å²	5	9 Å²	9	3%	0.031	5%	0.049	C	C	.	.			trans	-66.2	162.6	-179.1	-160.3	0	0	0	0	111.9	C83 H85 K226 F239 F399	C83-T241 HydrophobicContact CB-CG2 3.89Å; C83-T241 WeakPolarHBondContact CB-OG1 3.29Å; C83-T241 PolarHBondContact SG-OG1 3.2Å; H85-T241 VanDerWaalsContact ND1-CB 3.34Å; H85-T241 WeakPolarHBondContact ND1-CB 3.41Å; H85-T241 PolarHBondContact ND1-OG1 2.86Å; K226-T241 PolarHBondContact NZ-O 2.92Å; F239-T241 PolarHBondContact O-N 2.95Å; T241-F399 HydrophobicContact CG2-CD1 4.31Å
242	V	98.1	Very high	95	Very high	4 Å²	4	9 Å²	9	2%	0.024	5%	0.05	C	C	.	.			trans	-130.2	154	171	-65.4	0	0	0	0	110.9	C83 I84 W114 D143 F184 P187	C83-V242 CarbonylContact C-O 3.56Å; C83-V242 WeakPolarHBondContact CA-O 3.37Å; C83-V242 WeakPolarHBondContact CB-O 3.32Å; I84-V242 HydrophobicContact CB-CG2 4.39Å; I84-V242 HydrophobicContact CG2-CG2 3.81Å; I84-V242 PolarHBondContact N-O 3.49Å; W114-V242 HydrophobicContact CB-CG2 4.14Å; W114-V242 HydrophobicContact CG-CG2 4.25Å; D143-V242 CarbonylContact O-C 3.57Å; D143-V242 WeakPolarHBondContact O-CA 3.17Å; D143-V242 WeakPolarHBondContact O-CB 3.11Å; F184-V242 HydrophobicContact CB-CB 3.9Å; F184-V242 HydrophobicContact CB-CG1 4.25Å; F184-V242 HydrophobicContact CB-CG2 3.95Å; F184-V242 HydrophobicContact CD1-CB 4.05Å; F184-V242 HydrophobicContact CG-CB 4.02Å; F184-V242 HydrophobicContact CG-CG2 4.35Å; P187-V242 HydrophobicContact CG-CG1 4.14Å
243	G	97.1	Very high	94.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	157.5	-178	172.6	0	0	0	0	0	115.9	D143 F184 Y245	D143-G243 PolarHBondContact N-O 2.97Å; D143-G243 PolarHBondContact O-N 3.02Å; F184-G243 WeakPolarHBondContact CZ-O 3.47Å; G243-Y245 VanDerWaalsContact C-N 3.33Å; G243-Y245 PolarHBondContact O-N 3.14Å; G243-Y245 VanDerWaalsContact O-N 3.16Å
244	I	97.2	Very high	94.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.			trans	-88.6	78.5	177.6	-56.7	167.3	0	0	0	106.8	W65 I80 P81 S82 Y116 F139 L142 I182 F184 K246	W65-I244 HydrophobicContact CE3-CD1 4.41Å; W65-I244 HydrophobicContact CH2-CD1 4.1Å; W65-I244 HydrophobicContact CZ3-CD1 4.02Å; I80-I244 HydrophobicContact CB-CB 4.33Å; I80-I244 HydrophobicContact CB-CG2 4.14Å; I80-I244 HydrophobicContact CD1-CG2 4.12Å; I80-I244 HydrophobicContact CG2-CB 3.77Å; I80-I244 HydrophobicContact CG2-CD1 3.91Å; I80-I244 HydrophobicContact CG2-CG1 4.39Å; I80-I244 HydrophobicContact CG2-CG2 4.03Å; P81-I244 VanDerWaalsContact CA-O 3.28Å; P81-I244 WeakPolarHBondContact CA-O 3.25Å; S82-I244 PolarHBondContact N-O 2.9Å; S82-I244 CarbonylContact O-C 3.58Å; S82-I244 PolarHBondContact O-N 3.09Å; Y116-I244 HydrophobicContact CD1-CD1 4.3Å; Y116-I244 HydrophobicContact CG-CD1 4.3Å; F139-I244 HydrophobicContact CD1-CG2 4.06Å; F139-I244 HydrophobicContact CE1-CD1 4.34Å; L142-I244 HydrophobicContact CD2-CB 4.28Å; L142-I244 HydrophobicContact CD2-CG1 3.8Å; L142-I244 HydrophobicContact CD2-CG2 4.19Å; I182-I244 HydrophobicContact CD1-CD1 4.06Å; I182-I244 HydrophobicContact CG1-CD1 4.41Å; F184-I244 HydrophobicContact CE2-CG1 4.15Å; F184-I244 HydrophobicContact CZ-CG1 3.96Å; I244-K246 WeakPolarHBondContact CG2-O 3.23Å; I244-K246 PolarHBondContact O-N 2.87Å
245	Y	95.8	Very high	93.9	Very high	18 Å²	18	8.5 Å²	8.5	7%	0.071	5%	0.048	C	C	.	.			trans	-81.8	-12	-164.2	90.8	-80.9	0	0	0	114.6	D143 M161 G243 L400	D143-Y245 HydrophobicContact CB-CD1 3.87Å; D143-Y245 HydrophobicContact CB-CG 4.34Å; M161-Y245 HydrophobicContact CE-CD1 4.4Å; M161-Y245 HydrophobicContact CE-CD2 4.06Å; M161-Y245 HydrophobicContact CE-CE1 4.25Å; M161-Y245 HydrophobicContact CE-CE2 3.87Å; M161-Y245 HydrophobicContact CE-CG 4.32Å; M161-Y245 HydrophobicContact CG-CD1 4.36Å; M161-Y245 HydrophobicContact CG-CE1 3.69Å; M161-Y245 VanDerWaalsContact O-CE1 3.28Å; M161-Y245 WeakPolarHBondContact O-CE1 3.36Å; M161-Y245 PolarHBondContact O-OH 3.17Å; G243-Y245 VanDerWaalsContact C-N 3.33Å; G243-Y245 PolarHBondContact O-N 3.14Å; G243-Y245 VanDerWaalsContact O-N 3.16Å; Y245-L400 HydrophobicContact CD2-CB 4.4Å; Y245-L400 HydrophobicContact CD2-CD1 4.23Å; Y245-L400 HydrophobicContact CE2-CD1 4.06Å
246	K	94.1	Very high	93.7	Very high	44 Å²	44	8.5 Å²	8.5	19%	0.191	5%	0.048	C	C	.	.	S	Bend	trans	-120.4	171	165.6	-64.9	-168.8	174.4	-169.5	0	109.9	I244	I244-K246 WeakPolarHBondContact CG2-O 3.23Å; I244-K246 PolarHBondContact O-N 2.87Å
247	A	91.7	Very high	93.5	Very high	36 Å²	36	8.5 Å²	8.5	30%	0.298	5%	0.049	S	C	.	.			trans	-60.8	165	-177.6	0	0	0	0	0	113	P81 Y140	P81-A247 HydrophobicContact CG-CB 4.46Å; Y140-A247 HydrophobicContact CD2-CB 4.16Å; Y140-A247 VanDerWaalsContact CD2-O 3.27Å; Y140-A247 WeakPolarHBondContact CD2-O 3.31Å; Y140-A247 PolarHBondContact N-O 2.9Å
248	A	92	Very high	93.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.2	172.8	0	0	0	0	0	111.1	L60 I80 F138 F139	L60-A248 HydrophobicContact CB-CB 4.27Å; L60-A248 WeakPolarHBondContact CB-O 3.43Å; L60-A248 HydrophobicContact CD1-CB 4.03Å; L60-A248 PolarHBondContact N-O 3.27Å; I80-A248 HydrophobicContact CD1-CB 3.9Å; F138-A248 CarbonylContact O-C 3.58Å; F138-A248 WeakPolarHBondContact O-CA 3.48Å; F138-A248 WeakPolarHBondContact O-CB 3.19Å; F139-A248 HydrophobicContact CD1-CB 3.53Å; F139-A248 HydrophobicContact CE1-CB 3.92Å; F139-A248 HydrophobicContact CG-CB 4.27Å
249	S	91.7	Very high	92.8	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.028	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.6	-174.5	56.4	0	0	0	0	112.5	Y58 F138 Y140	Y58-S249 CarbonylContact O-C 3.6Å; Y58-S249 VanDerWaalsContact O-CA 3.26Å; Y58-S249 WeakPolarHBondContact O-CA 3.45Å; F138-S249 PolarHBondContact N-O 2.91Å; F138-S249 PolarHBondContact O-N 2.86Å; Y140-S249 PolarHBondContact OH-OG 3.29Å
250	L	89.9	Confident	92.4	Very high	9 Å²	9	14.6 Å²	14.6	5%	0.047	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.5	171.9	174.4	60.9	0	0	0	109.3	Y58 L60 L136 L137 L169 L252	Y58-L250 HydrophobicContact CD2-CD2 4.42Å; Y58-L250 HydrophobicContact CD2-CG 4.5Å; Y58-L250 PolarHBondContact N-O 3.09Å; Y58-L250 PolarHBondContact O-N 3.02Å; L60-L250 HydrophobicContact CD2-CB 4.14Å; L136-L250 WeakPolarHBondContact O-CA 3.31Å; L137-L250 HydrophobicContact CB-CD1 4.49Å; L169-L250 HydrophobicContact CD1-CD1 3.98Å; L250-L252 HydrophobicContact CD1-CD1 4.5Å; L250-L252 HydrophobicContact CD2-CD1 4.32Å; L250-L252 HydrophobicContact CG-CD1 3.85Å
251	L	89.3	Confident	92.3	Very high	11 Å²	11	15.4 Å²	15.4	6%	0.058	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.1	-179.9	-57.7	-174.1	0	0	0	110.8	I56 Q57 K135 L136 F138 I257	I56-L251 CarbonylContact O-C 3.6Å; I56-L251 WeakPolarHBondContact O-CA 3.08Å; Q57-L251 HydrophobicContact CB-CD2 3.49Å; Q57-L251 VanDerWaalsContact CB-CD2 3.49Å; Q57-L251 HydrophobicContact CG-CD2 3.47Å; Q57-L251 VanDerWaalsContact CG-CD2 3.47Å; K135-L251 CarbonylContact C-O 3.57Å; K135-L251 WeakPolarHBondContact CA-O 3.35Å; L136-L251 PolarHBondContact N-O 3.13Å; L136-L251 PolarHBondContact O-N 2.86Å; F138-L251 HydrophobicContact CD2-CD1 4Å; F138-L251 HydrophobicContact CD2-CG 4.14Å; F138-L251 HydrophobicContact CE2-CB 4.47Å; F138-L251 HydrophobicContact CE2-CD1 3.66Å; F138-L251 HydrophobicContact CE2-CG 4.14Å; F138-L251 HydrophobicContact CZ-CD1 4.36Å; L251-I257 HydrophobicContact CD1-CD1 3.55Å
252	L	88.6	Confident	92.1	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.9	174.8	-56.4	79.8	0	0	0	110.6	I56 Y58 K132 K134 K135 L250	I56-L252 HydrophobicContact CB-CB 4.35Å; I56-L252 PolarHBondContact N-O 3.42Å; I56-L252 PolarHBondContact O-N 2.02Å; Y58-L252 HydrophobicContact CD2-CD1 3.68Å; Y58-L252 HydrophobicContact CE2-CD1 3.61Å; K132-L252 HydrophobicContact CB-CB 3.87Å; K132-L252 HydrophobicContact CB-CD2 4.4Å; K132-L252 HydrophobicContact CG-CB 3.83Å; K134-L252 WeakPolarHBondContact O-CA 3.23Å; K135-L252 HydrophobicContact CB-CG 4.39Å; K135-L252 HydrophobicContact CD-CD2 4.39Å; K135-L252 HydrophobicContact CG-CD2 4.19Å; K135-L252 HydrophobicContact CG-CG 4.2Å; L250-L252 HydrophobicContact CD1-CD1 4.5Å; L250-L252 HydrophobicContact CD2-CD1 4.32Å; L250-L252 HydrophobicContact CG-CD1 3.85Å
253	F	89.4	Confident	91.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.2	-173.5	62	-84.2	0	0	0	112.8	I55 K133 K134 L136 I257 N283 A285 E351	I55-F253 HydrophobicContact CG1-CB 4.09Å; I55-F253 HydrophobicContact CG2-CB 4.32Å; K133-F253 PolarHBondContact N-O 2.83Å; K134-F253 HydrophobicContact CB-CD1 4.02Å; K134-F253 HydrophobicContact CB-CD2 4.08Å; K134-F253 HydrophobicContact CB-CE1 3.6Å; K134-F253 HydrophobicContact CB-CE2 3.67Å; K134-F253 HydrophobicContact CB-CG 4.25Å; K134-F253 HydrophobicContact CB-CZ 3.41Å; K134-F253 VanDerWaalsContact CB-CZ 3.41Å; K134-F253 HydrophobicContact CG-CE2 4.02Å; K134-F253 HydrophobicContact CG-CZ 3.92Å; K134-F253 PolarHBondContact N-O 2.86Å; K134-F253 PolarHBondContact O-N 2.89Å; L136-F253 HydrophobicContact CD1-CE1 3.68Å; L136-F253 HydrophobicContact CD1-CZ 3.87Å; L136-F253 HydrophobicContact CG-CE1 3.9Å; L136-F253 HydrophobicContact CG-CZ 4.37Å; F253-I257 HydrophobicContact CB-CG2 4.04Å; F253-I257 HydrophobicContact CD1-CD1 4.33Å; F253-I257 HydrophobicContact CD1-CG1 4.36Å; F253-I257 HydrophobicContact CD1-CG2 3.62Å; F253-I257 HydrophobicContact CD2-CG2 4.17Å; F253-I257 HydrophobicContact CE1-CD1 3.76Å; F253-I257 HydrophobicContact CE1-CG1 3.87Å; F253-I257 HydrophobicContact CE1-CG2 4.02Å; F253-I257 HydrophobicContact CE2-CG1 4.43Å; F253-I257 HydrophobicContact CG-CG2 3.7Å; F253-I257 HydrophobicContact CZ-CD1 4.2Å; F253-I257 HydrophobicContact CZ-CG1 3.9Å; F253-I257 HydrophobicContact CZ-CG2 4.45Å; F253-N283 WeakPolarHBondContact CE2-O 3.23Å; F253-N283 HydrophobicContact CZ-CB 4.44Å; F253-N283 WeakPolarHBondContact CZ-O 3.42Å; F253-A285 HydrophobicContact CD2-CB 4.28Å; F253-A285 HydrophobicContact CE2-CB 4.07Å; F253-E351 WeakPolarHBondContact CA-OE1 3.44Å
254	D	87.2	Confident	91.9	Very high	27 Å²	27	15.7 Å²	15.7	14%	0.144	8%	0.079	C	C	.	.	S	Bend	trans	-111	-21.1	-178.7	-72.7	-49.8	0	0	0	114.1	K132 K133 I350 E351	K132-D254 VanDerWaalsContact CA-OD1 3.28Å; K132-D254 WeakPolarHBondContact CA-OD1 3.44Å; K132-D254 WeakPolarHBondContact CD-OD2 3.34Å; K132-D254 WeakPolarHBondContact CE-OD2 3.25Å; K132-D254 IonicContact NZ-OD2 2.75Å; K132-D254 PolarHBondContact NZ-OD2 2.85Å; K133-D254 VanDerWaalsContact CD-O 3.32Å; K133-D254 WeakPolarHBondContact CD-O 3.21Å; K133-D254 WeakPolarHBondContact CE-O 3.44Å; K133-D254 PolarHBondContact N-OD1 3.45Å; K133-D254 PolarHBondContact NZ-O 2.94Å; D254-I350 HydrophobicContact CB-CD1 3.52Å; D254-E351 VanDerWaalsContact N-CD 3.3Å; D254-E351 PolarHBondContact N-OE1 3.33Å; D254-E351 PolarHBondContact N-OE2 3.03Å
255	C	88.8	Confident	91.8	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.027	8%	0.083	C	C	.	.	S	Bend	trans	-118.2	-90.8	-179.7	-174.1	0	0	0	0	112.2	C284 A285 C348 I350 E351	C255-C284 CarbonylContact O-C 3.53Å; C255-C284 WeakPolarHBondContact O-CA 3.33Å; C255-A285 PolarHBondContact O-N 3.14Å; C255-C348 HydrophobicContact CB-CB 3.46Å; C255-C348 VanDerWaalsContact CB-CB 3.46Å; C255-C348 WeakPolarHBondContact CB-SG 3.3Å; C255-C348 WeakPolarHBondContact SG-CB 3.21Å; C255-C348 CovalentContact SG-SG 2.02Å; C255-C348 PolarHBondContact SG-SG 2.93Å; C255-I350 HydrophobicContact CB-CG1 4.34Å; C255-E351 HydrophobicContact CB-CB 4.49Å; C255-E351 PolarHBondContact N-OE2 3.27Å
256	C	90.7	Very high	91.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.014	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.1	-175.6	-61.2	0	0	0	0	111.1	N283 C284	C256-N283 VanDerWaalsContact CA-O 3.3Å; C256-N283 WeakPolarHBondContact CA-O 3.5Å; C256-C284 HydrophobicContact CB-CB 4.15Å; C256-C284 WeakPolarHBondContact CB-SG 3.25Å; C256-C284 WeakPolarHBondContact SG-CB 3.49Å; C256-C284 CovalentContact SG-SG 2.04Å; C256-C284 PolarHBondContact SG-SG 3.4Å
257	I	92.3	Very high	91.7	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	154.1	166.5	59.5	168.4	0	0	0	110.2	I55 L136 F138 L251 F253 R259 L282 N283	I55-I257 HydrophobicContact CD1-CG2 4.2Å; I55-I257 HydrophobicContact CG2-CG2 4Å; L136-I257 HydrophobicContact CD1-CD1 4.14Å; F138-I257 HydrophobicContact CE2-CD1 4.14Å; F138-I257 HydrophobicContact CZ-CD1 4.07Å; L251-I257 HydrophobicContact CD1-CD1 3.55Å; F253-I257 HydrophobicContact CB-CG2 4.04Å; F253-I257 HydrophobicContact CD1-CD1 4.33Å; F253-I257 HydrophobicContact CD1-CG1 4.36Å; F253-I257 HydrophobicContact CD1-CG2 3.62Å; F253-I257 HydrophobicContact CD2-CG2 4.17Å; F253-I257 HydrophobicContact CE1-CD1 3.76Å; F253-I257 HydrophobicContact CE1-CG1 3.87Å; F253-I257 HydrophobicContact CE1-CG2 4.02Å; F253-I257 HydrophobicContact CE2-CG1 4.43Å; F253-I257 HydrophobicContact CG-CG2 3.7Å; F253-I257 HydrophobicContact CZ-CD1 4.2Å; F253-I257 HydrophobicContact CZ-CG1 3.9Å; F253-I257 HydrophobicContact CZ-CG2 4.45Å; I257-R259 PolarHBondContact O-N 2.81Å; I257-L282 VanDerWaalsContact O-CA 3.3Å; I257-L282 WeakPolarHBondContact O-CA 3.43Å; I257-N283 HydrophobicContact CD1-CB 4.39Å; I257-N283 HydrophobicContact CG1-CB 3.92Å; I257-N283 PolarHBondContact N-O 2.93Å; I257-N283 PolarHBondContact O-N 3.4Å
258	I	93	Very high	91.7	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	108.6	168.7	-54	160.9	0	0	0	107	E260 F261 F280 L282 G344 I346 D353 K355	I258-E260 WeakPolarHBondContact CG2-O 3.45Å; I258-F261 HydrophobicContact CG2-CB 3.97Å; I258-F280 HydrophobicContact CD1-CD1 4.22Å; I258-F280 HydrophobicContact CD1-CE1 4.1Å; I258-F280 HydrophobicContact CG1-CD1 4.14Å; I258-F280 HydrophobicContact CG2-CD1 4.05Å; I258-L282 HydrophobicContact CB-CD2 4.25Å; I258-L282 HydrophobicContact CG1-CD2 3.85Å; I258-L282 HydrophobicContact CG2-CD2 4.42Å; I258-G344 WeakPolarHBondContact CD1-O 3.46Å; I258-I346 HydrophobicContact CD1-CB 4.27Å; I258-I346 HydrophobicContact CD1-CG1 3.79Å; I258-I346 HydrophobicContact CG1-CB 4.1Å; I258-I346 HydrophobicContact CG1-CG1 3.51Å; I258-D353 WeakPolarHBondContact CB-OD2 3.36Å; I258-D353 HydrophobicContact CD1-CB 4.06Å; I258-D353 HydrophobicContact CG1-CB 4.11Å; I258-D353 PolarHBondContact N-OD2 2.71Å; I258-K355 HydrophobicContact CB-CG 3.87Å; I258-K355 HydrophobicContact CD1-CG 4.02Å; I258-K355 HydrophobicContact CG2-CG 3.55Å; I258-K355 WeakPolarHBondContact O-CE 3.31Å; I258-K355 PolarHBondContact O-NZ 2.84Å
259	R	89.6	Confident	91.3	Very high	79 Å²	79	21.4 Å²	21.4	30%	0.298	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-49.2	173.4	168	166	150.7	-126.1	-11.9	110	F138 I257 E281	F138-R259 HydrophobicContact CE1-CG 4.32Å; I257-R259 PolarHBondContact O-N 2.81Å; R259-E281 WeakPolarHBondContact CD-OE1 3.45Å; R259-E281 WeakPolarHBondContact CG-OE1 3.43Å; R259-E281 IonicContact CZ-OE1 3.16Å; R259-E281 IonicContact CZ-OE2 3.78Å; R259-E281 PolarHBondContact N-O 3.46Å; R259-E281 IonicContact NE-OE1 2.82Å; R259-E281 PolarHBondContact NE-OE1 3.07Å; R259-E281 IonicContact NH1-OE1 2.78Å; R259-E281 PolarHBondContact NH1-OE1 3.44Å; R259-E281 IonicContact NH1-OE2 3.19Å; R259-E281 PolarHBondContact NH1-OE2 2.82Å; R259-E281 IonicContact NH2-OE1 3.23Å; R259-E281 IonicContact NH2-OE2 2.68Å
260	E	89.6	Confident	91.1	Very high	53 Å²	53	26.3 Å²	26.3	25%	0.248	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141	179.2	-76.9	161.7	-139.9	0	0	110.1	I258 F280 E281	I258-E260 WeakPolarHBondContact CG2-O 3.45Å; E260-F280 WeakPolarHBondContact O-CA 3.27Å; E260-E281 HydrophobicContact CB-CB 4.04Å; E260-E281 PolarHBondContact N-O 2.99Å; E260-E281 PolarHBondContact O-N 3.2Å
261	F	94.2	Very high	91.2	Very high	19 Å²	19	29.3 Å²	29.3	8%	0.083	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	113	174	175.6	-120.5	0	0	0	107.3	I258 V263 V278 Q279 F280 V342 G344 K355 I357	I258-F261 HydrophobicContact CG2-CB 3.97Å; F261-V263 HydrophobicContact CE1-CG2 3.95Å; F261-V263 HydrophobicContact CE2-CG2 3.99Å; F261-V263 HydrophobicContact CZ-CG2 3.57Å; F261-V278 HydrophobicContact CD2-CG1 4.37Å; F261-V278 HydrophobicContact CE2-CG1 3.56Å; F261-V278 HydrophobicContact CZ-CG1 4.32Å; F261-Q279 WeakPolarHBondContact CA-O 3.33Å; F261-F280 AromaticContact CD2-CD1 3.76Å; F261-F280 HydrophobicContact CD2-CD1 3.76Å; F261-F280 HydrophobicContact CD2-CD2 4.12Å; F261-F280 AromaticContact CD2-CE1 3.61Å; F261-F280 HydrophobicContact CD2-CE1 3.61Å; F261-F280 AromaticContact CD2-CE2 3.96Å; F261-F280 HydrophobicContact CD2-CE2 3.96Å; F261-F280 HydrophobicContact CD2-CG 4.03Å; F261-F280 AromaticContact CD2-CZ 3.73Å; F261-F280 HydrophobicContact CD2-CZ 3.73Å; F261-F280 HydrophobicContact CE2-CD1 4.33Å; F261-F280 HydrophobicContact CE2-CD2 4.24Å; F261-F280 AromaticContact CE2-CE1 3.8Å; F261-F280 HydrophobicContact CE2-CE1 3.8Å; F261-F280 AromaticContact CE2-CE2 3.65Å; F261-F280 HydrophobicContact CE2-CE2 3.65Å; F261-F280 AromaticContact CE2-CZ 3.43Å; F261-F280 HydrophobicContact CE2-CZ 3.43Å; F261-F280 VanDerWaalsContact CE2-CZ 3.43Å; F261-F280 HydrophobicContact CZ-CZ 4.44Å; F261-V342 HydrophobicContact CE1-CG1 4.49Å; F261-V342 HydrophobicContact CZ-CG1 4.11Å; F261-G344 VanDerWaalsContact CZ-CA 3.46Å; F261-K355 HydrophobicContact CB-CB 3.72Å; F261-K355 HydrophobicContact CB-CG 3.92Å; F261-K355 HydrophobicContact CD1-CB 3.79Å; F261-K355 HydrophobicContact CG-CB 4Å; F261-I357 HydrophobicContact CD1-CD1 4.05Å; F261-I357 HydrophobicContact CD1-CG1 4.15Å; F261-I357 HydrophobicContact CD1-CG2 4.45Å; F261-I357 HydrophobicContact CE1-CD1 4.04Å; F261-I357 HydrophobicContact CE1-CG1 3.92Å
262	S	93	Very high	91.3	Very high	13 Å²	13	33.3 Å²	33.3	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.6	178.9	76.2	0	0	0	0	110.6	Q279 G477 K480	S262-Q279 PolarHBondContact N-O 2.92Å; S262-Q279 PolarHBondContact O-N 3.05Å; S262-G477 WeakPolarHBondContact CB-O 3.48Å; S262-K480 VanDerWaalsContact OG-CE 3.23Å; S262-K480 WeakPolarHBondContact OG-CE 3.3Å
263	V	95.4	Very high	91.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.2	-179.3	179.9	0	0	0	0	108.3	F261 L276 H277 V278 V342 I357 I359 H481	F261-V263 HydrophobicContact CE1-CG2 3.95Å; F261-V263 HydrophobicContact CE2-CG2 3.99Å; F261-V263 HydrophobicContact CZ-CG2 3.57Å; V263-L276 HydrophobicContact CG1-CD1 3.35Å; V263-L276 HydrophobicContact CG1-CD2 4.28Å; V263-L276 HydrophobicContact CG1-CG 3.69Å; V263-H277 CarbonylContact C-O 3.54Å; V263-H277 WeakPolarHBondContact CA-O 3.45Å; V263-V278 HydrophobicContact CG1-CG2 4.21Å; V263-V278 HydrophobicContact CG2-CG1 4.14Å; V263-V278 HydrophobicContact CG2-CG2 4.15Å; V263-V342 HydrophobicContact CG1-CG2 4.5Å; V263-V342 HydrophobicContact CG2-CG1 4.18Å; V263-I357 HydrophobicContact CB-CD1 3.93Å; V263-I357 HydrophobicContact CG2-CD1 3.83Å; V263-I359 HydrophobicContact CB-CG2 4.19Å; V263-I359 HydrophobicContact CG1-CD1 4.42Å; V263-I359 HydrophobicContact CG1-CG2 4.1Å; V263-H481 WeakPolarHBondContact O-CA 3.32Å; V263-H481 VanDerWaalsContact O-CB 3.27Å; V263-H481 WeakPolarHBondContact O-CB 3.31Å
264	L	95.8	Very high	91.9	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	107.9	-179.5	-178.4	69.7	0	0	0	110.2	H277 K480 D531 Q532	L264-H277 HydrophobicContact CB-CB 4.34Å; L264-H277 PolarHBondContact N-O 3.39Å; L264-H277 PolarHBondContact O-N 3.16Å; L264-K480 HydrophobicContact CD1-CB 4.46Å; L264-K480 WeakPolarHBondContact CD1-O 3.4Å; L264-D531 WeakPolarHBondContact CD2-O 3.41Å; L264-Q532 HydrophobicContact CD2-CB 4.3Å
265	P	95.4	Very high	92.3	Very high	15 Å²	15	38.4 Å²	38.4	10%	0.097	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	121.4	171.8	-8.6	26.1	0	0	0	110.6	W274 L276 I359 F361	P265-W274 HydrophobicContact CB-CE3 3.93Å; P265-W274 HydrophobicContact CB-CZ3 4.27Å; P265-L276 HydrophobicContact CB-CD1 4.12Å; P265-L276 HydrophobicContact CG-CD1 3.94Å; P265-I359 HydrophobicContact CG-CB 4.12Å; P265-I359 HydrophobicContact CG-CD1 3.91Å; P265-I359 HydrophobicContact CG-CG1 4.49Å; P265-I359 HydrophobicContact CG-CG2 4.47Å; P265-F361 HydrophobicContact CB-CD1 3.62Å; P265-F361 HydrophobicContact CB-CE1 3.9Å; P265-F361 HydrophobicContact CB-CG 4.43Å; P265-F361 HydrophobicContact CG-CD1 4.3Å; P265-F361 HydrophobicContact CG-CE1 4.43Å
266	K	94.7	Very high	92.6	Very high	67 Å²	67	38.2 Å²	38.2	29%	0.291	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	118.3	173.8	-173.6	170.2	-175	173.3	0	110.6	R275 Q532 Q533	K266-R275 PolarHBondContact N-O 2.89Å; K266-R275 PolarHBondContact O-N 2.84Å; K266-Q532 PolarHBondContact NZ-O 2.8Å; K266-Q533 WeakPolarHBondContact CE-O 3.35Å; K266-Q533 PolarHBondContact NZ-O 2.81Å
267	L	94.4	Very high	92.8	Very high	28 Å²	28	39.5 Å²	39.5	15%	0.147	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.6	172.6	-178.1	60.1	0	0	0	109.4	W274 D323 T363	L267-W274 HydrophobicContact CB-CD2 3.97Å; L267-W274 HydrophobicContact CB-CE3 3.87Å; L267-W274 HydrophobicContact CB-CH2 3.77Å; L267-W274 HydrophobicContact CB-CZ2 3.89Å; L267-W274 HydrophobicContact CB-CZ3 3.79Å; L267-W274 HydrophobicContact CD1-CD2 4.26Å; L267-W274 HydrophobicContact CD1-CG 4.33Å; L267-W274 HydrophobicContact CD2-CZ2 4.22Å; L267-W274 HydrophobicContact CG-CZ2 4.44Å; L267-W274 VanDerWaalsContact N-CE3 3.27Å; L267-D323 HydrophobicContact CD1-CB 4.19Å; L267-T363 HydrophobicContact CB-CG2 3.72Å; L267-T363 HydrophobicContact CD2-CG2 3.93Å; L267-T363 HydrophobicContact CG-CG2 4.44Å
268	N	91.2	Very high	93	Very high	34 Å²	34	39.4 Å²	39.4	18%	0.182	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116	162.7	175.6	37.9	0	0	0	109.6	S270 D271 Q272 M273 R275	N268-S270 PolarHBondContact ND2-OG 2.98Å; N268-S270 PolarHBondContact O-N 3.3Å; N268-S270 PolarHBondContact OD1-N 2.79Å; N268-S270 PolarHBondContact OD1-OG 3.28Å; N268-S270 VanDerWaalsContact OD1-OG 3.09Å; N268-D271 VanDerWaalsContact CB-OD1 3.3Å; N268-D271 WeakPolarHBondContact CB-OD1 3.45Å; N268-D271 PolarHBondContact ND2-OD1 2.91Å; N268-D271 PolarHBondContact ND2-OD2 2.83Å; N268-Q272 WeakPolarHBondContact O-CA 3.39Å; N268-Q272 PolarHBondContact O-N 2.83Å; N268-M273 PolarHBondContact N-O 3.26Å; N268-R275 PolarHBondContact ND2-NH2 3.12Å
269	A	82.4	Confident	93.1	Very high	74 Å²	74	41.5 Å²	41.5	61%	0.612	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.5	-177	0	0	0	0	0	113.6	Q272	A269-Q272 PolarHBondContact O-NE2 3.28Å
270	S	88.8	Confident	93.4	Very high	107 Å²	107	37.8 Å²	37.8	75%	0.748	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-20.8	-176.9	60.5	0	0	0	0	115.1	N268	N268-S270 PolarHBondContact ND2-OG 2.98Å; N268-S270 PolarHBondContact O-N 3.3Å; N268-S270 PolarHBondContact OD1-N 2.79Å; N268-S270 PolarHBondContact OD1-OG 3.28Å; N268-S270 VanDerWaalsContact OD1-OG 3.09Å
271	D	91.3	Very high	93.6	Very high	71 Å²	71	36 Å²	36	38%	0.38	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-5.9	175.6	59.6	19.2	0	0	0	113.5	N268 M273 R275	N268-D271 VanDerWaalsContact CB-OD1 3.3Å; N268-D271 WeakPolarHBondContact CB-OD1 3.45Å; N268-D271 PolarHBondContact ND2-OD1 2.91Å; N268-D271 PolarHBondContact ND2-OD2 2.83Å; D271-M273 HydrophobicContact CB-CG 4.12Å; D271-M273 PolarHBondContact O-N 2.75Å; D271-M273 VanDerWaalsContact OD1-CB 3.32Å; D271-M273 WeakPolarHBondContact OD1-CB 3.47Å; D271-M273 PolarHBondContact OD1-N 3.5Å; D271-R275 IonicContact OD2-CZ 3.19Å; D271-R275 IonicContact OD2-NH2 3.7Å; D271-R275 PolarHBondContact OD2-NH2 2.97Å
272	Q	91.9	Very high	93.6	Very high	95 Å²	95	35.1 Å²	35.1	44%	0.444	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	29.3	-174.3	-58.8	-67	-52.4	0	0	113.4	N268 A269 D323	N268-Q272 WeakPolarHBondContact O-CA 3.39Å; N268-Q272 PolarHBondContact O-N 2.83Å; A269-Q272 PolarHBondContact O-NE2 3.28Å; Q272-D323 WeakPolarHBondContact O-CB 3.14Å; Q272-D323 PolarHBondContact O-N 2.6Å; Q272-D323 VanDerWaalsContact O-N 3.09Å
273	M	95.5	Very high	93.6	Very high	46 Å²	46	35.3 Å²	35.3	23%	0.227	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.2	175.7	-57.8	-67.1	-68.9	0	0	110.8	N268 D271 R275 P322	N268-M273 PolarHBondContact N-O 3.26Å; D271-M273 HydrophobicContact CB-CG 4.12Å; D271-M273 PolarHBondContact O-N 2.75Å; D271-M273 VanDerWaalsContact OD1-CB 3.32Å; D271-M273 WeakPolarHBondContact OD1-CB 3.47Å; D271-M273 PolarHBondContact OD1-N 3.5Å; M273-R275 PolarHBondContact O-N 2.96Å; M273-P322 HydrophobicContact CE-CG 3.9Å; M273-P322 HydrophobicContact SD-CB 4.05Å; M273-P322 HydrophobicContact SD-CG 4.02Å
274	W	95.5	Very high	93.5	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.3	164.2	-70.6	92.3	0	0	0	109.6	P265 L267 T320 I321 D323 R328 F361 R362 T363	P265-W274 HydrophobicContact CB-CE3 3.93Å; P265-W274 HydrophobicContact CB-CZ3 4.27Å; L267-W274 HydrophobicContact CB-CD2 3.97Å; L267-W274 HydrophobicContact CB-CE3 3.87Å; L267-W274 HydrophobicContact CB-CH2 3.77Å; L267-W274 HydrophobicContact CB-CZ2 3.89Å; L267-W274 HydrophobicContact CB-CZ3 3.79Å; L267-W274 HydrophobicContact CD1-CD2 4.26Å; L267-W274 HydrophobicContact CD1-CG 4.33Å; L267-W274 HydrophobicContact CD2-CZ2 4.22Å; L267-W274 HydrophobicContact CG-CZ2 4.44Å; L267-W274 VanDerWaalsContact N-CE3 3.27Å; W274-T320 CarbonylContact O-C 3.54Å; W274-T320 WeakPolarHBondContact O-CA 3.42Å; W274-I321 HydrophobicContact CB-CB 4.37Å; W274-I321 PolarHBondContact N-O 3.3Å; W274-I321 PolarHBondContact O-N 3.21Å; W274-D323 PolarHBondContact NE1-OD1 3.28Å; W274-R328 HydrophobicContact CZ2-CG 4.46Å; W274-F361 HydrophobicContact CB-CD1 4.14Å; W274-F361 HydrophobicContact CB-CE1 4.13Å; W274-F361 HydrophobicContact CD2-CB 4.29Å; W274-F361 AromaticContact CD2-CD1 3.63Å; W274-F361 HydrophobicContact CD2-CD1 3.63Å; W274-F361 HydrophobicContact CD2-CE1 4.48Å; W274-F361 HydrophobicContact CD2-CG 4.43Å; W274-F361 HydrophobicContact CE3-CB 4.42Å; W274-F361 AromaticContact CE3-CD1 3.79Å; W274-F361 HydrophobicContact CE3-CD1 3.79Å; W274-F361 AromaticContact CG-CD1 3.77Å; W274-F361 HydrophobicContact CG-CD1 3.77Å; W274-F361 HydrophobicContact CG-CE1 4.23Å; W274-F361 HydrophobicContact CH2-CB 4.26Å; W274-F361 HydrophobicContact CZ2-CB 4.1Å; W274-F361 HydrophobicContact CZ3-CB 4.4Å; W274-F361 HydrophobicContact CZ3-CD1 4.49Å; W274-R362 VanDerWaalsContact CH2-N 3.34Å; W274-T363 HydrophobicContact CH2-CG2 3.94Å
275	R	94.9	Very high	93.2	Very high	91 Å²	91	36 Å²	36	34%	0.343	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	111.2	166.7	-67.4	-178.2	-174.7	141.6	10.5	108.1	K266 N268 D271 M273 H277 V318 F319	K266-R275 PolarHBondContact N-O 2.89Å; K266-R275 PolarHBondContact O-N 2.84Å; N268-R275 PolarHBondContact ND2-NH2 3.12Å; D271-R275 IonicContact OD2-CZ 3.19Å; D271-R275 IonicContact OD2-NH2 3.7Å; D271-R275 PolarHBondContact OD2-NH2 2.97Å; M273-R275 PolarHBondContact O-N 2.96Å; R275-H277 PolarHBondContact O-CD2 2.84Å; R275-H277 PolarHBondContact O-N 3.02Å; R275-V318 HydrophobicContact CB-CG1 3.75Å; R275-V318 HydrophobicContact CG-CG1 4.18Å; R275-F319 CarbonylContact C-O 3.56Å; R275-F319 WeakPolarHBondContact CA-O 3.43Å
276	L	95.1	Very high	92.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	92.3	175.6	-166.2	70.8	0	0	0	107.6	V263 P265 V278 W302 V318 F319 I321 I359 F361	V263-L276 HydrophobicContact CG1-CD1 3.35Å; V263-L276 HydrophobicContact CG1-CD2 4.28Å; V263-L276 HydrophobicContact CG1-CG 3.69Å; P265-L276 HydrophobicContact CB-CD1 4.12Å; P265-L276 HydrophobicContact CG-CD1 3.94Å; L276-V278 HydrophobicContact CD2-CG2 4.26Å; L276-V278 HydrophobicContact CG-CG2 4.05Å; L276-V278 PolarHBondContact O-N 3.17Å; L276-W302 HydrophobicContact CD2-CZ3 4.27Å; L276-V318 WeakPolarHBondContact O-CA 2.99Å; L276-F319 HydrophobicContact CB-CB 4.33Å; L276-F319 PolarHBondContact N-O 2.8Å; L276-F319 PolarHBondContact O-N 3.12Å; L276-I321 HydrophobicContact CD2-CD1 4.31Å; L276-I359 HydrophobicContact CD1-CD1 3.68Å; L276-F361 HydrophobicContact CD1-CE1 4.25Å; L276-F361 HydrophobicContact CD1-CZ 4.43Å
277	H	95.4	Very high	92.7	Very high	29 Å²	29	37.7 Å²	37.7	13%	0.134	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	113.2	177.2	-63.8	-101.5	0	0	0	108.4	V263 L264 R275 V318 Q532	V263-H277 CarbonylContact C-O 3.54Å; V263-H277 WeakPolarHBondContact CA-O 3.45Å; L264-H277 HydrophobicContact CB-CB 4.34Å; L264-H277 PolarHBondContact N-O 3.39Å; L264-H277 PolarHBondContact O-N 3.16Å; R275-H277 PolarHBondContact O-CD2 2.84Å; R275-H277 PolarHBondContact O-N 3.02Å; H277-V318 WeakPolarHBondContact ND1-CG2 3.38Å; H277-Q532 PolarHBondContact CE1-OE1 2.83Å; H277-Q532 VanDerWaalsContact CE1-OE1 3.28Å; H277-Q532 PolarHBondContact ND1-OE1 3.34Å
278	V	95.7	Very high	92.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.7	-176.8	-177.5	0	0	0	0	109.2	F261 V263 L276 F280 V294 D316 Q317 F319	F261-V278 HydrophobicContact CD2-CG1 4.37Å; F261-V278 HydrophobicContact CE2-CG1 3.56Å; F261-V278 HydrophobicContact CZ-CG1 4.32Å; V263-V278 HydrophobicContact CG1-CG2 4.21Å; V263-V278 HydrophobicContact CG2-CG1 4.14Å; V263-V278 HydrophobicContact CG2-CG2 4.15Å; L276-V278 HydrophobicContact CD2-CG2 4.26Å; L276-V278 HydrophobicContact CG-CG2 4.05Å; L276-V278 PolarHBondContact O-N 3.17Å; V278-F280 HydrophobicContact CG1-CD2 4.08Å; V278-F280 HydrophobicContact CG1-CE2 3.67Å; V278-V294 HydrophobicContact CG1-CG2 3.9Å; V278-V294 HydrophobicContact CG2-CG1 4.4Å; V278-D316 WeakPolarHBondContact O-CA 3.5Å; V278-Q317 PolarHBondContact N-O 2.7Å; V278-Q317 PolarHBondContact O-N 3.05Å; V278-F319 HydrophobicContact CB-CE2 4.11Å; V278-F319 HydrophobicContact CG2-CD2 3.78Å; V278-F319 HydrophobicContact CG2-CE2 3.8Å
279	Q	95.1	Very high	92.6	Very high	46 Å²	46	41.1 Å²	41.1	22%	0.215	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.7	-179.7	-46.2	-167.6	-97.8	0	0	109.9	F261 S262 D316	F261-Q279 WeakPolarHBondContact CA-O 3.33Å; S262-Q279 PolarHBondContact N-O 2.92Å; S262-Q279 PolarHBondContact O-N 3.05Å; Q279-D316 WeakPolarHBondContact CB-OD1 3.36Å; Q279-D316 WeakPolarHBondContact CG-OD1 3.42Å; Q279-D316 PolarHBondContact NE2-OD1 2.88Å
280	F	95.6	Very high	93.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.6	169.3	-65.7	-109	0	0	0	109.9	I258 E260 F261 V278 L282 V294 W304 Q314 L315 I346	I258-F280 HydrophobicContact CD1-CD1 4.22Å; I258-F280 HydrophobicContact CD1-CE1 4.1Å; I258-F280 HydrophobicContact CG1-CD1 4.14Å; I258-F280 HydrophobicContact CG2-CD1 4.05Å; E260-F280 WeakPolarHBondContact O-CA 3.27Å; F261-F280 AromaticContact CD2-CD1 3.76Å; F261-F280 HydrophobicContact CD2-CD1 3.76Å; F261-F280 HydrophobicContact CD2-CD2 4.12Å; F261-F280 AromaticContact CD2-CE1 3.61Å; F261-F280 HydrophobicContact CD2-CE1 3.61Å; F261-F280 AromaticContact CD2-CE2 3.96Å; F261-F280 HydrophobicContact CD2-CE2 3.96Å; F261-F280 HydrophobicContact CD2-CG 4.03Å; F261-F280 AromaticContact CD2-CZ 3.73Å; F261-F280 HydrophobicContact CD2-CZ 3.73Å; F261-F280 HydrophobicContact CE2-CD1 4.33Å; F261-F280 HydrophobicContact CE2-CD2 4.24Å; F261-F280 AromaticContact CE2-CE1 3.8Å; F261-F280 HydrophobicContact CE2-CE1 3.8Å; F261-F280 AromaticContact CE2-CE2 3.65Å; F261-F280 HydrophobicContact CE2-CE2 3.65Å; F261-F280 AromaticContact CE2-CZ 3.43Å; F261-F280 HydrophobicContact CE2-CZ 3.43Å; F261-F280 VanDerWaalsContact CE2-CZ 3.43Å; F261-F280 HydrophobicContact CZ-CZ 4.44Å; V278-F280 HydrophobicContact CG1-CD2 4.08Å; V278-F280 HydrophobicContact CG1-CE2 3.67Å; F280-L282 HydrophobicContact CB-CD2 3.84Å; F280-L282 HydrophobicContact CB-CG 4.3Å; F280-L282 HydrophobicContact CD1-CD2 4.28Å; F280-V294 HydrophobicContact CE2-CG2 3.74Å; F280-V294 HydrophobicContact CZ-CG2 3.85Å; F280-W304 HydrophobicContact CD2-CH2 4.44Å; F280-W304 AromaticContact CE2-CH2 3.85Å; F280-W304 HydrophobicContact CE2-CH2 3.85Å; F280-W304 HydrophobicContact CE2-CZ2 4.43Å; F280-Q314 WeakPolarHBondContact O-CA 3.24Å; F280-Q314 PolarHBondContact O-OE1 2.94Å; F280-L315 HydrophobicContact CB-CB 4.31Å; F280-L315 PolarHBondContact N-O 3.04Å; F280-L315 PolarHBondContact O-N 2.85Å; F280-I346 HydrophobicContact CD1-CD1 3.83Å; F280-I346 HydrophobicContact CD1-CG1 3.91Å; F280-I346 HydrophobicContact CE1-CD1 3.87Å; F280-I346 HydrophobicContact CE1-CG1 3.97Å; F280-I346 HydrophobicContact CG-CD1 4.32Å; F280-I346 HydrophobicContact CZ-CD1 4.42Å
281	E	94.2	Very high	93.5	Very high	17 Å²	17	34.4 Å²	34.4	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.4	158.7	-162.9	-165	86.5	0	0	109.4	R259 E260 I312 N313 Q314	R259-E281 WeakPolarHBondContact CD-OE1 3.45Å; R259-E281 WeakPolarHBondContact CG-OE1 3.43Å; R259-E281 IonicContact CZ-OE1 3.16Å; R259-E281 IonicContact CZ-OE2 3.78Å; R259-E281 PolarHBondContact N-O 3.46Å; R259-E281 IonicContact NE-OE1 2.82Å; R259-E281 PolarHBondContact NE-OE1 3.07Å; R259-E281 IonicContact NH1-OE1 2.78Å; R259-E281 PolarHBondContact NH1-OE1 3.44Å; R259-E281 IonicContact NH1-OE2 3.19Å; R259-E281 PolarHBondContact NH1-OE2 2.82Å; R259-E281 IonicContact NH2-OE1 3.23Å; R259-E281 IonicContact NH2-OE2 2.68Å; E260-E281 HydrophobicContact CB-CB 4.04Å; E260-E281 PolarHBondContact N-O 2.99Å; E260-E281 PolarHBondContact O-N 3.2Å; E281-I312 VanDerWaalsContact CD-CG2 3.4Å; E281-I312 HydrophobicContact CG-CG2 3.53Å; E281-I312 WeakPolarHBondContact OE2-CG2 3.46Å; E281-N313 CarbonylContact C-O 3.53Å; E281-N313 WeakPolarHBondContact CA-O 3.36Å; E281-Q314 VanDerWaalsContact CG-NE2 3.31Å; E281-Q314 PolarHBondContact OE2-NE2 3.08Å
282	L	94.8	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	135	179.2	-51.7	-172.1	0	0	0	111	I257 I258 F280 V290 V308 I312 N313 L315 I346	I257-L282 VanDerWaalsContact O-CA 3.3Å; I257-L282 WeakPolarHBondContact O-CA 3.43Å; I258-L282 HydrophobicContact CB-CD2 4.25Å; I258-L282 HydrophobicContact CG1-CD2 3.85Å; I258-L282 HydrophobicContact CG2-CD2 4.42Å; F280-L282 HydrophobicContact CB-CD2 3.84Å; F280-L282 HydrophobicContact CB-CG 4.3Å; F280-L282 HydrophobicContact CD1-CD2 4.28Å; L282-V290 HydrophobicContact CD1-CG2 4.19Å; L282-V308 HydrophobicContact CD1-CG1 4.36Å; L282-I312 CarbonylContact O-C 3.45Å; L282-I312 WeakPolarHBondContact O-CA 3.31Å; L282-N313 HydrophobicContact CB-CB 4.46Å; L282-N313 PolarHBondContact N-O 2.74Å; L282-N313 PolarHBondContact O-N 2.89Å; L282-L315 HydrophobicContact CD1-CD1 3.58Å; L282-L315 HydrophobicContact CD1-CG 4.09Å; L282-L315 HydrophobicContact CG-CD1 4.42Å; L282-I346 HydrophobicContact CD1-CD1 3.97Å; L282-I346 HydrophobicContact CD1-CG1 4.2Å; L282-I346 HydrophobicContact CD1-CG2 4.21Å; L282-I346 HydrophobicContact CD2-CD1 4.07Å; L282-I346 HydrophobicContact CD2-CG1 3.69Å
283	N	92.9	Very high	93.9	Very high	16 Å²	16	27.5 Å²	27.5	9%	0.086	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.5	166.7	-165.7	-44.2	0	0	0	108.8	L136 F253 C256 I257 I312	L136-N283 HydrophobicContact CD1-CB 4.26Å; L136-N283 VanDerWaalsContact CD1-ND2 3.32Å; L136-N283 WeakPolarHBondContact CD1-ND2 3.25Å; F253-N283 WeakPolarHBondContact CE2-O 3.23Å; F253-N283 HydrophobicContact CZ-CB 4.44Å; F253-N283 WeakPolarHBondContact CZ-O 3.42Å; C256-N283 VanDerWaalsContact CA-O 3.3Å; C256-N283 WeakPolarHBondContact CA-O 3.5Å; I257-N283 HydrophobicContact CD1-CB 4.39Å; I257-N283 HydrophobicContact CG1-CB 3.92Å; I257-N283 PolarHBondContact N-O 2.93Å; I257-N283 PolarHBondContact O-N 3.4Å; N283-I312 HydrophobicContact CB-CD1 3.85Å; N283-I312 VanDerWaalsContact ND2-CD1 3.32Å; N283-I312 WeakPolarHBondContact ND2-CD1 3.23Å
284	C	92.9	Very high	94	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.2	-171.7	-68.7	0	0	0	0	112.3	C255 C256 T309 A310 G311	C255-C284 CarbonylContact O-C 3.53Å; C255-C284 WeakPolarHBondContact O-CA 3.33Å; C256-C284 HydrophobicContact CB-CB 4.15Å; C256-C284 WeakPolarHBondContact CB-SG 3.25Å; C256-C284 WeakPolarHBondContact SG-CB 3.49Å; C256-C284 CovalentContact SG-SG 2.04Å; C256-C284 PolarHBondContact SG-SG 3.4Å; C284-T309 WeakPolarHBondContact CB-O 3.28Å; C284-A310 WeakPolarHBondContact O-CA 3.34Å; C284-G311 PolarHBondContact N-O 3.39Å; C284-G311 PolarHBondContact O-N 3.11Å
285	A	90.3	Very high	94.1	Very high	17 Å²	17	26.5 Å²	26.5	14%	0.14	15%	0.148	C	C	.	.	S	Bend	trans	-82.7	-26.6	-175.8	0	0	0	0	0	114	K133 K134 F253 C255	K133-A285 HydrophobicContact CB-CB 3.7Å; K133-A285 HydrophobicContact CD-CB 4.09Å; K134-A285 HydrophobicContact CB-CB 4.03Å; K134-A285 HydrophobicContact CG-CB 3.41Å; K134-A285 VanDerWaalsContact CG-CB 3.41Å; F253-A285 HydrophobicContact CD2-CB 4.28Å; F253-A285 HydrophobicContact CE2-CB 4.07Å; C255-A285 PolarHBondContact O-N 3.14Å
286	S	87.9	Confident	94	Very high	37 Å²	37	22.4 Å²	22.4	26%	0.259	13%	0.133	S	C	.	.	S	Bend	trans	-155.3	150.4	179	54.4	0	0	0	0	109.5	K133 T288	K133-S286 PolarHBondContact NZ-OG 3.23Å; S286-T288 PolarHBondContact O-N 3.41Å
287	S	91.3	Very high	93.5	Very high	82 Å²	82	25 Å²	25	57%	0.573	15%	0.145	S	C	*	.			trans	-59.9	135.9	175.4	-47.7	0	0	0	0	111.6	V308 T309 A310	S287-V308 CarbonylContact C-O 3.6Å; S287-V308 WeakPolarHBondContact CA-O 3.31Å; S287-V308 WeakPolarHBondContact CB-O 3.41Å; S287-T309 WeakPolarHBondContact OG-CA 3.49Å; S287-A310 PolarHBondContact OG-N 3.05Å
288	T	90.5	Very high	92.6	Very high	37 Å²	37	28.3 Å²	28.3	23%	0.227	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	170	-176.1	-174.9	0	0	0	0	109.7	S286 V290 V308	S286-T288 PolarHBondContact O-N 3.41Å; T288-V290 HydrophobicContact CG2-CG1 4.09Å; T288-V308 HydrophobicContact CG2-CG2 3.69Å; T288-V308 PolarHBondContact N-O 3.47Å; T288-V308 VanDerWaalsContact O-CG2 3.29Å; T288-V308 WeakPolarHBondContact O-CG2 3.4Å; T288-V308 PolarHBondContact O-N 3.01Å
289	N	92.8	Very high	91.8	Very high	96 Å²	96	33.4 Å²	33.4	51%	0.513	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	143.6	155.2	-70.2	-2.1	0	0	0	109.2	S306 P307	N289-S306 WeakPolarHBondContact CA-O 3.41Å; N289-P307 WeakPolarHBondContact OD1-CA 3.17Å
290	V	94	Very high	91.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	149.4	166	-66.4	0	0	0	0	109.7	L282 T288 Q305 S306 V308 L315 I346 D347	L282-V290 HydrophobicContact CD1-CG2 4.19Å; T288-V290 HydrophobicContact CG2-CG1 4.09Å; V290-Q305 WeakPolarHBondContact O-CA 3.26Å; V290-S306 PolarHBondContact N-O 2.94Å; V290-S306 PolarHBondContact O-N 2.99Å; V290-V308 HydrophobicContact CG1-CG2 3.83Å; V290-V308 HydrophobicContact CG2-CG1 3.94Å; V290-V308 HydrophobicContact CG2-CG2 4.27Å; V290-L315 HydrophobicContact CG2-CD1 4.09Å; V290-I346 HydrophobicContact CB-CG2 4.03Å; V290-I346 HydrophobicContact CG1-CG2 4.1Å; V290-I346 HydrophobicContact CG2-CG2 4.48Å; V290-D347 WeakPolarHBondContact CA-O 3.17Å
291	T	96.3	Very high	91.4	Very high	39 Å²	39	39.4 Å²	39.4	24%	0.239	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.7	168.3	-57.4	0	0	0	0	107.8	T303 W304 Q305 D347	T291-T303 HydrophobicContact CG2-CG2 3.48Å; T291-T303 VanDerWaalsContact CG2-CG2 3.48Å; T291-W304 CarbonylContact C-O 3.57Å; T291-W304 WeakPolarHBondContact CA-O 3.32Å; T291-Q305 HydrophobicContact CG2-CG 4.39Å; T291-Q305 PolarHBondContact OG1-NE2 2.91Å; T291-D347 PolarHBondContact N-O 3.35Å; T291-D347 PolarHBondContact O-N 3.38Å
292	A	96.1	Very high	91.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137	177	0	0	0	0	0	109.5	T303 W304 L315 I346	A292-T303 CarbonylContact O-C 3.55Å; A292-T303 VanDerWaalsContact O-CA 3.29Å; A292-T303 WeakPolarHBondContact O-CA 3.32Å; A292-W304 HydrophobicContact CB-CD2 3.87Å; A292-W304 HydrophobicContact CB-CE3 4.06Å; A292-W304 HydrophobicContact CB-CH2 3.67Å; A292-W304 HydrophobicContact CB-CZ2 3.44Å; A292-W304 VanDerWaalsContact CB-CZ2 3.44Å; A292-W304 HydrophobicContact CB-CZ3 3.96Å; A292-W304 PolarHBondContact N-O 3.26Å; A292-W304 PolarHBondContact O-N 2.86Å; A292-L315 HydrophobicContact CB-CD1 4.48Å; A292-I346 HydrophobicContact CB-CD1 3.56Å
293	T	96.3	Very high	91.5	Very high	21 Å²	21	45.5 Å²	45.5	13%	0.129	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.4	177.6	-63.9	0	0	0	0	110.5	W302 T303 R345	T293-W302 CarbonylContact C-O 3.59Å; T293-W302 VanDerWaalsContact CA-O 3.3Å; T293-W302 WeakPolarHBondContact CA-O 3.4Å; T293-T303 WeakPolarHBondContact CG2-OG1 3.2Å; T293-T303 WeakPolarHBondContact OG1-CG2 3.45Å; T293-T303 PolarHBondContact OG1-OG1 2.81Å; T293-R345 PolarHBondContact N-O 3.4Å; T293-R345 PolarHBondContact O-N 2.82Å
294	V	97	Very high	91.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123	174.2	176.2	0	0	0	0	108.6	V278 F280 N301 W302 W304 F319 V342 R343	V278-V294 HydrophobicContact CG1-CG2 3.9Å; V278-V294 HydrophobicContact CG2-CG1 4.4Å; F280-V294 HydrophobicContact CE2-CG2 3.74Å; F280-V294 HydrophobicContact CZ-CG2 3.85Å; V294-N301 WeakPolarHBondContact O-CA 3.36Å; V294-W302 HydrophobicContact CB-CE3 4.31Å; V294-W302 HydrophobicContact CG1-CE3 4.06Å; V294-W302 HydrophobicContact CG1-CZ3 4.39Å; V294-W302 PolarHBondContact N-O 3Å; V294-W302 PolarHBondContact O-N 3.02Å; V294-W304 HydrophobicContact CG2-CH2 3.91Å; V294-W304 HydrophobicContact CG2-CZ3 3.84Å; V294-F319 HydrophobicContact CB-CE2 4.1Å; V294-F319 HydrophobicContact CG1-CE2 4.33Å; V294-F319 HydrophobicContact CG2-CE2 4.02Å; V294-V342 HydrophobicContact CG1-CG1 3.87Å; V294-R343 WeakPolarHBondContact CA-O 3.2Å
295	T	96.4	Very high	91.7	Very high	26 Å²	26	53.2 Å²	53.2	16%	0.16	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.4	177.7	-61.4	0	0	0	0	110.2	L300 N301 V342 R343	T295-L300 CarbonylContact C-O 3.59Å; T295-L300 WeakPolarHBondContact CA-O 3.44Å; T295-N301 VanDerWaalsContact CB-OD1 3.25Å; T295-N301 WeakPolarHBondContact CB-OD1 3.35Å; T295-N301 VanDerWaalsContact CG2-OD1 3.23Å; T295-N301 WeakPolarHBondContact CG2-OD1 3.44Å; T295-N301 PolarHBondContact OG1-OD1 3.28Å; T295-V342 CarbonylContact O-C 3.59Å; T295-V342 VanDerWaalsContact O-CA 3.32Å; T295-V342 WeakPolarHBondContact O-CA 3.33Å; T295-R343 PolarHBondContact N-O 2.83Å; T295-R343 PolarHBondContact O-N 3.32Å
296	L	94.4	Very high	91.9	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.4	170.7	179.2	70	0	0	0	109.4	S298 T299 L300 W302 I321 Y340 V342 I359 F361	L296-S298 PolarHBondContact O-N 3.47Å; L296-T299 PolarHBondContact O-N 3.4Å; L296-T299 VanDerWaalsContact O-N 3.13Å; L296-T299 PolarHBondContact O-OG1 2.9Å; L296-L300 HydrophobicContact CB-CB 4.27Å; L296-L300 HydrophobicContact CD2-CD1 4.19Å; L296-L300 PolarHBondContact N-O 3Å; L296-L300 PolarHBondContact O-N 3.32Å; L296-W302 HydrophobicContact CB-CH2 4.35Å; L296-W302 HydrophobicContact CB-CZ3 4.02Å; L296-W302 HydrophobicContact CD2-CH2 4.29Å; L296-I321 HydrophobicContact CD2-CD1 3.52Å; L296-Y340 HydrophobicContact CD1-CD1 4.09Å; L296-Y340 HydrophobicContact CD1-CG 4.35Å; L296-Y340 HydrophobicContact CG-CD1 4.4Å; L296-V342 HydrophobicContact CD1-CG2 3.97Å; L296-I359 HydrophobicContact CD1-CD1 4.15Å; L296-F361 HydrophobicContact CD2-CZ 4.1Å
297	E	84.6	Confident	92.2	Very high	55 Å²	55	56.4 Å²	56.4	26%	0.257	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	39.4	178.8	-66.8	-70	94.5	0	0	114.6	T299 R338 Y340 Q341	E297-T299 WeakPolarHBondContact O-CG2 3.13Å; E297-T299 PolarHBondContact O-N 3.08Å; E297-T299 PolarHBondContact O-OG1 2.92Å; E297-R338 IonicContact OE2-CZ 2.62Å; E297-R338 VanDerWaalsContact OE2-CZ 3.23Å; E297-R338 IonicContact OE2-NH1 3.39Å; E297-R338 PolarHBondContact OE2-NH1 2.77Å; E297-R338 IonicContact OE2-NH2 2.75Å; E297-R338 PolarHBondContact OE2-NH2 3.19Å; E297-Y340 HydrophobicContact CG-CD1 3.38Å; E297-Y340 HydrophobicContact CG-CE1 4.12Å; E297-Y340 HydrophobicContact CG-CG 4.09Å; E297-Q341 PolarHBondContact N-O 2.67Å; E297-Q341 VanDerWaalsContact N-O 3.11Å; E297-Q341 PolarHBondContact OE1-N 3.23Å
298	S	75.7	Confident	92.3	Very high	98 Å²	98	52.8 Å²	52.8	69%	0.685	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	9.2	-179.6	62.4	0	0	0	0	117	L296	L296-S298 PolarHBondContact O-N 3.47Å
299	T	78.1	Confident	92.5	Very high	109 Å²	109	55 Å²	55	67%	0.669	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-42.4	-168.5	41.3	0	0	0	0	112.6	L296 E297	L296-T299 PolarHBondContact O-N 3.4Å; L296-T299 VanDerWaalsContact O-N 3.13Å; L296-T299 PolarHBondContact O-OG1 2.9Å; E297-T299 WeakPolarHBondContact O-CG2 3.13Å; E297-T299 PolarHBondContact O-N 3.08Å; E297-T299 PolarHBondContact O-OG1 2.92Å
300	L	89.2	Confident	92.4	Very high	77 Å²	77	53.2 Å²	53.2	40%	0.403	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.9	173.8	-67.5	171.6	0	0	0	109.1	T295 L296 W302	T295-L300 CarbonylContact C-O 3.59Å; T295-L300 WeakPolarHBondContact CA-O 3.44Å; L296-L300 HydrophobicContact CB-CB 4.27Å; L296-L300 HydrophobicContact CD2-CD1 4.19Å; L296-L300 PolarHBondContact N-O 3Å; L296-L300 PolarHBondContact O-N 3.32Å; L300-W302 HydrophobicContact CB-CH2 3.77Å; L300-W302 HydrophobicContact CB-CZ2 4.09Å; L300-W302 HydrophobicContact CB-CZ3 4.2Å; L300-W302 HydrophobicContact CD1-CH2 4.19Å; L300-W302 HydrophobicContact CD1-CZ2 4.41Å
301	N	93.1	Very high	92.3	Very high	94 Å²	94	54.4 Å²	54.4	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.6	179.5	-69.9	-46.2	0	0	0	109.7	V294 T295	V294-N301 WeakPolarHBondContact O-CA 3.36Å; T295-N301 VanDerWaalsContact CB-OD1 3.25Å; T295-N301 WeakPolarHBondContact CB-OD1 3.35Å; T295-N301 VanDerWaalsContact CG2-OD1 3.23Å; T295-N301 WeakPolarHBondContact CG2-OD1 3.44Å; T295-N301 PolarHBondContact OG1-OD1 3.28Å
302	W	96	Very high	92.1	Very high	56 Å²	56	56.3 Å²	56.3	21%	0.212	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.8	171	-56.7	-83.2	0	0	0	109.3	L276 T293 V294 L296 L300 F319 I321	L276-W302 HydrophobicContact CD2-CZ3 4.27Å; T293-W302 CarbonylContact C-O 3.59Å; T293-W302 VanDerWaalsContact CA-O 3.3Å; T293-W302 WeakPolarHBondContact CA-O 3.4Å; V294-W302 HydrophobicContact CB-CE3 4.31Å; V294-W302 HydrophobicContact CG1-CE3 4.06Å; V294-W302 HydrophobicContact CG1-CZ3 4.39Å; V294-W302 PolarHBondContact N-O 3Å; V294-W302 PolarHBondContact O-N 3.02Å; L296-W302 HydrophobicContact CB-CH2 4.35Å; L296-W302 HydrophobicContact CB-CZ3 4.02Å; L296-W302 HydrophobicContact CD2-CH2 4.29Å; L300-W302 HydrophobicContact CB-CH2 3.77Å; L300-W302 HydrophobicContact CB-CZ2 4.09Å; L300-W302 HydrophobicContact CB-CZ3 4.2Å; L300-W302 HydrophobicContact CD1-CH2 4.19Å; L300-W302 HydrophobicContact CD1-CZ2 4.41Å; W302-F319 HydrophobicContact CB-CD1 3.75Å; W302-F319 HydrophobicContact CB-CE1 3.43Å; W302-F319 VanDerWaalsContact CB-CE1 3.43Å; W302-F319 HydrophobicContact CB-CE2 4.4Å; W302-F319 HydrophobicContact CB-CG 4.36Å; W302-F319 HydrophobicContact CB-CZ 3.8Å; W302-F319 AromaticContact CD1-CD1 3.54Å; W302-F319 HydrophobicContact CD2-CB 3.98Å; W302-F319 AromaticContact CD2-CD1 3.77Å; W302-F319 HydrophobicContact CD2-CD1 3.77Å; W302-F319 HydrophobicContact CD2-CD2 4.15Å; W302-F319 HydrophobicContact CD2-CE1 4.35Å; W302-F319 AromaticContact CD2-CG 3.66Å; W302-F319 HydrophobicContact CD2-CG 3.66Å; W302-F319 AromaticContact CE2-CG 3.97Å; W302-F319 HydrophobicContact CE3-CB 4.33Å; W302-F319 HydrophobicContact CE3-CD1 4.48Å; W302-F319 HydrophobicContact CE3-CD2 4.05Å; W302-F319 HydrophobicContact CE3-CG 4Å; W302-F319 HydrophobicContact CG-CB 4.47Å; W302-F319 AromaticContact CG-CD1 3.39Å; W302-F319 HydrophobicContact CG-CD1 3.39Å; W302-F319 HydrophobicContact CG-CD2 4.43Å; W302-F319 AromaticContact CG-CE1 3.67Å; W302-F319 HydrophobicContact CG-CE1 3.67Å; W302-F319 AromaticContact CG-CG 3.83Å; W302-F319 HydrophobicContact CG-CG 3.83Å; W302-F319 HydrophobicContact CG-CZ 4.3Å; W302-F319 HydrophobicContact CH2-CB 4.33Å; W302-F319 HydrophobicContact CZ2-CB 3.97Å; W302-F319 AromaticContact NE1-CD1 3.97Å; W302-I321 HydrophobicContact CH2-CD1 4Å; W302-I321 HydrophobicContact CH2-CG1 4.14Å; W302-I321 HydrophobicContact CZ2-CG1 4.22Å
303	T	96	Very high	92.1	Very high	89 Å²	89	57.3 Å²	57.3	55%	0.546	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.5	-178.8	-61.8	0	0	0	0	110.1	T291 A292 T293	T291-T303 HydrophobicContact CG2-CG2 3.48Å; T291-T303 VanDerWaalsContact CG2-CG2 3.48Å; A292-T303 CarbonylContact O-C 3.55Å; A292-T303 VanDerWaalsContact O-CA 3.29Å; A292-T303 WeakPolarHBondContact O-CA 3.32Å; T293-T303 WeakPolarHBondContact CG2-OG1 3.2Å; T293-T303 WeakPolarHBondContact OG1-CG2 3.45Å; T293-T303 PolarHBondContact OG1-OG1 2.81Å
304	W	95.4	Very high	92	Very high	44 Å²	44	61.1 Å²	61.1	17%	0.167	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	167.9	175.7	72.8	105.1	0	0	0	111	F280 T291 A292 V294 Q317 F319	F280-W304 HydrophobicContact CD2-CH2 4.44Å; F280-W304 AromaticContact CE2-CH2 3.85Å; F280-W304 HydrophobicContact CE2-CH2 3.85Å; F280-W304 HydrophobicContact CE2-CZ2 4.43Å; T291-W304 CarbonylContact C-O 3.57Å; T291-W304 WeakPolarHBondContact CA-O 3.32Å; A292-W304 HydrophobicContact CB-CD2 3.87Å; A292-W304 HydrophobicContact CB-CE3 4.06Å; A292-W304 HydrophobicContact CB-CH2 3.67Å; A292-W304 HydrophobicContact CB-CZ2 3.44Å; A292-W304 VanDerWaalsContact CB-CZ2 3.44Å; A292-W304 HydrophobicContact CB-CZ3 3.96Å; A292-W304 PolarHBondContact N-O 3.26Å; A292-W304 PolarHBondContact O-N 2.86Å; V294-W304 HydrophobicContact CG2-CH2 3.91Å; V294-W304 HydrophobicContact CG2-CZ3 3.84Å; W304-Q317 HydrophobicContact CD2-CG 4.02Å; W304-Q317 VanDerWaalsContact CE2-CG 3.48Å; W304-Q317 HydrophobicContact CE3-CG 4.39Å; W304-Q317 HydrophobicContact CH2-CB 4.31Å; W304-Q317 HydrophobicContact CH2-CG 3.81Å; W304-Q317 HydrophobicContact CZ2-CB 4.27Å; W304-Q317 HydrophobicContact CZ2-CG 3.37Å; W304-Q317 HydrophobicContact CZ3-CG 4.31Å; W304-F319 HydrophobicContact CE3-CZ 4.12Å; W304-F319 HydrophobicContact CH2-CZ 4.1Å; W304-F319 HydrophobicContact CZ3-CE2 4.34Å; W304-F319 AromaticContact CZ3-CZ 3.61Å; W304-F319 HydrophobicContact CZ3-CZ 3.61Å
305	Q	94.7	Very high	91.9	Very high	135 Å²	135	61.8 Å²	61.8	63%	0.631	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.1	171.9	-67.1	-171	-21	0	0	110.3	V290 T291	V290-Q305 WeakPolarHBondContact O-CA 3.26Å; T291-Q305 HydrophobicContact CG2-CG 4.39Å; T291-Q305 PolarHBondContact OG1-NE2 2.91Å
306	S	94.1	Very high	91.8	Very high	24 Å²	24	64.8 Å²	64.8	17%	0.168	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.1	173.3	-167.8	0	0	0	0	110.8	N289 V290 L315	N289-S306 WeakPolarHBondContact CA-O 3.41Å; V290-S306 PolarHBondContact N-O 2.94Å; V290-S306 PolarHBondContact O-N 2.99Å; S306-L315 VanDerWaalsContact OG-CD2 3.3Å; S306-L315 WeakPolarHBondContact OG-CD2 3.44Å
307	P	94.2	Very high	91.8	Very high	97 Å²	97	68.3 Å²	68.3	63%	0.63	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	143.4	162.2	31.3	-33.7	0	0	0	109.6	N289	N289-P307 WeakPolarHBondContact OD1-CA 3.17Å
308	V	93.9	Very high	92.4	Very high	6 Å²	6	69 Å²	69	4%	0.036	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.4	173.7	-70.4	0	0	0	0	109.7	L282 S287 T288 V290 N313 L315	L282-V308 HydrophobicContact CD1-CG1 4.36Å; S287-V308 CarbonylContact C-O 3.6Å; S287-V308 WeakPolarHBondContact CA-O 3.31Å; S287-V308 WeakPolarHBondContact CB-O 3.41Å; T288-V308 HydrophobicContact CG2-CG2 3.69Å; T288-V308 PolarHBondContact N-O 3.47Å; T288-V308 VanDerWaalsContact O-CG2 3.29Å; T288-V308 WeakPolarHBondContact O-CG2 3.4Å; T288-V308 PolarHBondContact O-N 3.01Å; V290-V308 HydrophobicContact CG1-CG2 3.83Å; V290-V308 HydrophobicContact CG2-CG1 3.94Å; V290-V308 HydrophobicContact CG2-CG2 4.27Å; V308-N313 WeakPolarHBondContact CA-OD1 3.39Å; V308-N313 HydrophobicContact CB-CB 4.38Å; V308-N313 HydrophobicContact CG1-CB 4.05Å; V308-L315 HydrophobicContact CG1-CD2 4.2Å
309	T	94.5	Very high	93.2	Very high	83 Å²	83	65.3 Å²	65.3	51%	0.509	36%	0.364	S	S	.	.			trans	-101.9	166.8	176.6	57.1	0	0	0	0	111.9	C284 S287 G311 N313	C284-T309 WeakPolarHBondContact CB-O 3.28Å; S287-T309 WeakPolarHBondContact OG-CA 3.49Å; T309-G311 PolarHBondContact O-N 2.85Å; T309-N313 PolarHBondContact N-OD1 2.66Å; T309-N313 PolarHBondContact O-ND2 3.31Å; T309-N313 PolarHBondContact OG1-OD1 3.25Å
310	A	91	Very high	94	Very high	58 Å²	58	64 Å²	64	48%	0.479	36%	0.356	S	S	.	.	S	Bend	trans	-63.1	131.5	168.7	0	0	0	0	0	111	C284 S287	C284-A310 WeakPolarHBondContact O-CA 3.34Å; S287-A310 PolarHBondContact OG-N 3.05Å
311	G	90.9	Very high	94.2	Very high	26 Å²	26	60.6 Å²	60.6	27%	0.268	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.8	-155.3	-175.2	0	0	0	0	0	113.4	C284 T309 N313	C284-G311 PolarHBondContact N-O 3.39Å; C284-G311 PolarHBondContact O-N 3.11Å; T309-G311 PolarHBondContact O-N 2.85Å; G311-N313 PolarHBondContact O-ND2 2.82Å; G311-N313 VanDerWaalsContact O-ND2 3.15Å
312	I	92.1	Very high	94.2	Very high	80 Å²	80	58.9 Å²	58.9	41%	0.41	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.1	176.3	-61.1	-58.9	0	0	0	109.9	E281 L282 N283	E281-I312 VanDerWaalsContact CD-CG2 3.4Å; E281-I312 HydrophobicContact CG-CG2 3.53Å; E281-I312 WeakPolarHBondContact OE2-CG2 3.46Å; L282-I312 CarbonylContact O-C 3.45Å; L282-I312 WeakPolarHBondContact O-CA 3.31Å; N283-I312 HydrophobicContact CB-CD1 3.85Å; N283-I312 VanDerWaalsContact ND2-CD1 3.32Å; N283-I312 WeakPolarHBondContact ND2-CD1 3.23Å
313	N	95.7	Very high	94.1	Very high	21 Å²	21	57.4 Å²	57.4	11%	0.112	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.5	175.5	-59.5	-103.8	0	0	0	108.9	E281 L282 V308 T309 G311	E281-N313 CarbonylContact C-O 3.53Å; E281-N313 WeakPolarHBondContact CA-O 3.36Å; L282-N313 HydrophobicContact CB-CB 4.46Å; L282-N313 PolarHBondContact N-O 2.74Å; L282-N313 PolarHBondContact O-N 2.89Å; V308-N313 WeakPolarHBondContact CA-OD1 3.39Å; V308-N313 HydrophobicContact CB-CB 4.38Å; V308-N313 HydrophobicContact CG1-CB 4.05Å; T309-N313 PolarHBondContact N-OD1 2.66Å; T309-N313 PolarHBondContact O-ND2 3.31Å; T309-N313 PolarHBondContact OG1-OD1 3.25Å; G311-N313 PolarHBondContact O-ND2 2.82Å; G311-N313 VanDerWaalsContact O-ND2 3.15Å
314	Q	94.3	Very high	93.9	Very high	101 Å²	101	61.1 Å²	61.1	47%	0.472	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127.2	173.3	-70.8	-74.1	-1.4	0	0	108.9	F280 E281	F280-Q314 WeakPolarHBondContact O-CA 3.24Å; F280-Q314 PolarHBondContact O-OE1 2.94Å; E281-Q314 VanDerWaalsContact CG-NE2 3.31Å; E281-Q314 PolarHBondContact OE2-NE2 3.08Å
315	L	95.4	Very high	93.7	Very high	14 Å²	14	62.4 Å²	62.4	7%	0.073	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	103.9	173.7	-55.6	-174.2	0	0	0	109.6	F280 L282 V290 A292 S306 V308 I346	F280-L315 HydrophobicContact CB-CB 4.31Å; F280-L315 PolarHBondContact N-O 3.04Å; F280-L315 PolarHBondContact O-N 2.85Å; L282-L315 HydrophobicContact CD1-CD1 3.58Å; L282-L315 HydrophobicContact CD1-CG 4.09Å; L282-L315 HydrophobicContact CG-CD1 4.42Å; V290-L315 HydrophobicContact CG2-CD1 4.09Å; A292-L315 HydrophobicContact CB-CD1 4.48Å; S306-L315 VanDerWaalsContact OG-CD2 3.3Å; S306-L315 WeakPolarHBondContact OG-CD2 3.44Å; V308-L315 HydrophobicContact CG1-CD2 4.2Å; L315-I346 HydrophobicContact CD1-CD1 4.46Å
316	D	93.9	Very high	93.7	Very high	89 Å²	89	56.9 Å²	56.9	48%	0.476	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.8	175.7	-64.4	-40.9	0	0	0	110.8	V278 Q279	V278-D316 WeakPolarHBondContact O-CA 3.5Å; Q279-D316 WeakPolarHBondContact CB-OD1 3.36Å; Q279-D316 WeakPolarHBondContact CG-OD1 3.42Å; Q279-D316 PolarHBondContact NE2-OD1 2.88Å
317	Q	95.7	Very high	93.7	Very high	78 Å²	78	60.1 Å²	60.1	36%	0.364	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160.4	169.7	-73.7	-61.5	-71.5	0	0	111	V278 W304 F319	V278-Q317 PolarHBondContact N-O 2.7Å; V278-Q317 PolarHBondContact O-N 3.05Å; W304-Q317 HydrophobicContact CD2-CG 4.02Å; W304-Q317 VanDerWaalsContact CE2-CG 3.48Å; W304-Q317 HydrophobicContact CE3-CG 4.39Å; W304-Q317 HydrophobicContact CH2-CB 4.31Å; W304-Q317 HydrophobicContact CH2-CG 3.81Å; W304-Q317 HydrophobicContact CZ2-CB 4.27Å; W304-Q317 HydrophobicContact CZ2-CG 3.37Å; W304-Q317 HydrophobicContact CZ3-CG 4.31Å; Q317-F319 HydrophobicContact CB-CE1 4.2Å; Q317-F319 HydrophobicContact CB-CE2 3.91Å; Q317-F319 HydrophobicContact CB-CZ 3.56Å; Q317-F319 HydrophobicContact CG-CZ 4.08Å
318	V	95.3	Very high	93.9	Very high	71 Å²	71	58.3 Å²	58.3	43%	0.43	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.8	174.5	-172.6	0	0	0	0	109.4	R275 L276 H277	R275-V318 HydrophobicContact CB-CG1 3.75Å; R275-V318 HydrophobicContact CG-CG1 4.18Å; L276-V318 WeakPolarHBondContact O-CA 2.99Å; H277-V318 WeakPolarHBondContact ND1-CG2 3.38Å
319	F	94.6	Very high	94.1	Very high	19 Å²	19	58 Å²	58	8%	0.083	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	150.2	176	-51.1	-66.5	0	0	0	110.6	R275 L276 V278 V294 W302 W304 Q317	R275-F319 CarbonylContact C-O 3.56Å; R275-F319 WeakPolarHBondContact CA-O 3.43Å; L276-F319 HydrophobicContact CB-CB 4.33Å; L276-F319 PolarHBondContact N-O 2.8Å; L276-F319 PolarHBondContact O-N 3.12Å; V278-F319 HydrophobicContact CB-CE2 4.11Å; V278-F319 HydrophobicContact CG2-CD2 3.78Å; V278-F319 HydrophobicContact CG2-CE2 3.8Å; V294-F319 HydrophobicContact CB-CE2 4.1Å; V294-F319 HydrophobicContact CG1-CE2 4.33Å; V294-F319 HydrophobicContact CG2-CE2 4.02Å; W302-F319 HydrophobicContact CB-CD1 3.75Å; W302-F319 HydrophobicContact CB-CE1 3.43Å; W302-F319 VanDerWaalsContact CB-CE1 3.43Å; W302-F319 HydrophobicContact CB-CE2 4.4Å; W302-F319 HydrophobicContact CB-CG 4.36Å; W302-F319 HydrophobicContact CB-CZ 3.8Å; W302-F319 AromaticContact CD1-CD1 3.54Å; W302-F319 HydrophobicContact CD2-CB 3.98Å; W302-F319 AromaticContact CD2-CD1 3.77Å; W302-F319 HydrophobicContact CD2-CD1 3.77Å; W302-F319 HydrophobicContact CD2-CD2 4.15Å; W302-F319 HydrophobicContact CD2-CE1 4.35Å; W302-F319 AromaticContact CD2-CG 3.66Å; W302-F319 HydrophobicContact CD2-CG 3.66Å; W302-F319 AromaticContact CE2-CG 3.97Å; W302-F319 HydrophobicContact CE3-CB 4.33Å; W302-F319 HydrophobicContact CE3-CD1 4.48Å; W302-F319 HydrophobicContact CE3-CD2 4.05Å; W302-F319 HydrophobicContact CE3-CG 4Å; W302-F319 HydrophobicContact CG-CB 4.47Å; W302-F319 AromaticContact CG-CD1 3.39Å; W302-F319 HydrophobicContact CG-CD1 3.39Å; W302-F319 HydrophobicContact CG-CD2 4.43Å; W302-F319 AromaticContact CG-CE1 3.67Å; W302-F319 HydrophobicContact CG-CE1 3.67Å; W302-F319 AromaticContact CG-CG 3.83Å; W302-F319 HydrophobicContact CG-CG 3.83Å; W302-F319 HydrophobicContact CG-CZ 4.3Å; W302-F319 HydrophobicContact CH2-CB 4.33Å; W302-F319 HydrophobicContact CZ2-CB 3.97Å; W302-F319 AromaticContact NE1-CD1 3.97Å; W304-F319 HydrophobicContact CE3-CZ 4.12Å; W304-F319 HydrophobicContact CH2-CZ 4.1Å; W304-F319 HydrophobicContact CZ3-CE2 4.34Å; W304-F319 AromaticContact CZ3-CZ 3.61Å; W304-F319 HydrophobicContact CZ3-CZ 3.61Å; Q317-F319 HydrophobicContact CB-CE1 4.2Å; Q317-F319 HydrophobicContact CB-CE2 3.91Å; Q317-F319 HydrophobicContact CB-CZ 3.56Å; Q317-F319 HydrophobicContact CG-CZ 4.08Å
320	T	94.3	Very high	94.3	Very high	82 Å²	82	56.7 Å²	56.7	50%	0.503	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.3	-176.1	54.2	0	0	0	0	111.8	W274	W274-T320 CarbonylContact O-C 3.54Å; W274-T320 WeakPolarHBondContact O-CA 3.42Å
321	I	93.8	Very high	94.6	Very high	5 Å²	5	54 Å²	54	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.1	-179.4	-56.4	162.5	0	0	0	109.2	W274 L276 L296 W302 S325 V326 F361	W274-I321 HydrophobicContact CB-CB 4.37Å; W274-I321 PolarHBondContact N-O 3.3Å; W274-I321 PolarHBondContact O-N 3.21Å; L276-I321 HydrophobicContact CD2-CD1 4.31Å; L296-I321 HydrophobicContact CD2-CD1 3.52Å; W302-I321 HydrophobicContact CH2-CD1 4Å; W302-I321 HydrophobicContact CH2-CG1 4.14Å; W302-I321 HydrophobicContact CZ2-CG1 4.22Å; I321-S325 VanDerWaalsContact CG2-OG 3.3Å; I321-S325 WeakPolarHBondContact CG2-OG 3.27Å; I321-V326 HydrophobicContact CG2-CG2 3.86Å; I321-F361 HydrophobicContact CD1-CE1 4.07Å; I321-F361 HydrophobicContact CD1-CZ 3.86Å
322	P	93.2	Very high	94.9	Very high	58 Å²	58	56 Å²	56	38%	0.377	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	133.5	176.6	-20.2	32	0	0	0	112.1	M273 I324 S325	M273-P322 HydrophobicContact CE-CG 3.9Å; M273-P322 HydrophobicContact SD-CB 4.05Å; M273-P322 HydrophobicContact SD-CG 4.02Å; P322-I324 VanDerWaalsContact C-N 3.25Å; P322-I324 HydrophobicContact CB-CG2 4.12Å; P322-I324 PolarHBondContact O-N 3.05Å; P322-S325 WeakPolarHBondContact O-CB 3.41Å; P322-S325 PolarHBondContact O-N 2.87Å; P322-S325 PolarHBondContact O-OG 2.95Å
323	D	93.2	Very high	94.9	Very high	26 Å²	26	54.6 Å²	54.6	14%	0.139	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-57.3	-35.5	-179.3	178.3	71.1	0	0	0	113.5	L267 Q272 W274 S325 V326 R328	L267-D323 HydrophobicContact CD1-CB 4.19Å; Q272-D323 WeakPolarHBondContact O-CB 3.14Å; Q272-D323 PolarHBondContact O-N 2.6Å; Q272-D323 VanDerWaalsContact O-N 3.09Å; W274-D323 PolarHBondContact NE1-OD1 3.28Å; D323-S325 PolarHBondContact O-N 3.05Å; D323-V326 WeakPolarHBondContact O-CB 3.24Å; D323-V326 PolarHBondContact O-N 2.87Å; D323-R328 IonicContact OD1-CZ 3.58Å; D323-R328 IonicContact OD1-NE 3.65Å; D323-R328 PolarHBondContact OD1-NE 3.24Å; D323-R328 IonicContact OD1-NH2 2.71Å; D323-R328 PolarHBondContact OD1-NH2 3.3Å; D323-R328 IonicContact OD2-CZ 3.7Å; D323-R328 IonicContact OD2-NE 2.71Å; D323-R328 IonicContact OD2-NH2 2.7Å; D323-R328 PolarHBondContact OD2-NH2 3.01Å
324	I	92.5	Very high	95	Very high	167 Å²	167	54.3 Å²	54.3	86%	0.856	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-60.9	-15.4	175.5	-165.1	165.3	0	0	0	114.4	P322	P322-I324 VanDerWaalsContact C-N 3.25Å; P322-I324 HydrophobicContact CB-CG2 4.12Å; P322-I324 PolarHBondContact O-N 3.05Å
325	S	91	Very high	95	Very high	70 Å²	70	51.3 Å²	51.3	49%	0.49	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-92.1	5.3	176	68.5	0	0	0	0	114.1	I321 P322 D323	I321-S325 VanDerWaalsContact CG2-OG 3.3Å; I321-S325 WeakPolarHBondContact CG2-OG 3.27Å; P322-S325 WeakPolarHBondContact O-CB 3.41Å; P322-S325 PolarHBondContact O-N 2.87Å; P322-S325 PolarHBondContact O-OG 2.95Å; D323-S325 PolarHBondContact O-N 3.05Å
326	V	93.3	Very high	95.1	Very high	20 Å²	20	57.2 Å²	57.2	12%	0.121	31%	0.313	C	S	.	.			trans	-123.9	122.2	-168.4	177.7	0	0	0	0	112	I321 D323 R328 Y340 F361	I321-V326 HydrophobicContact CG2-CG2 3.86Å; D323-V326 WeakPolarHBondContact O-CB 3.24Å; D323-V326 PolarHBondContact O-N 2.87Å; V326-R328 PolarHBondContact O-N 2.95Å; V326-Y340 HydrophobicContact CG1-CE2 4.4Å; V326-F361 HydrophobicContact CG1-CB 3.4Å; V326-F361 VanDerWaalsContact CG1-CB 3.4Å; V326-F361 HydrophobicContact CG1-CD1 4.23Å; V326-F361 HydrophobicContact CG1-CD2 3.51Å; V326-F361 HydrophobicContact CG1-CE2 4.3Å; V326-F361 HydrophobicContact CG1-CG 3.47Å; V326-F361 VanDerWaalsContact CG1-CG 3.47Å
327	E	95.5	Very high	95.3	Very high	92 Å²	92	55.5 Å²	55.5	43%	0.43	30%	0.302	S	S	.	.			trans	-75.5	101.9	161.7	-84.1	-174.7	-74.1	0	0	108.2	K336 R338 Y340	E327-K336 IonicContact OE2-NZ 3.61Å; E327-K336 PolarHBondContact OE2-NZ 3.46Å; E327-R338 HydrophobicContact CB-CB 4.13Å; E327-R338 HydrophobicContact CB-CG 3.91Å; E327-R338 IonicContact OE1-NE 3.57Å; E327-Y340 PolarHBondContact N-OH 2.97Å
328	R	97.1	Very high	95.4	Very high	58 Å²	58	55.4 Å²	55.4	22%	0.219	30%	0.298	C	S	.	.			trans	-61.6	148.9	179.6	-60.9	-172	-168.1	164.6	5.4	112.2	W274 D323 V326 F361	W274-R328 HydrophobicContact CZ2-CG 4.46Å; D323-R328 IonicContact OD1-CZ 3.58Å; D323-R328 IonicContact OD1-NE 3.65Å; D323-R328 PolarHBondContact OD1-NE 3.24Å; D323-R328 IonicContact OD1-NH2 2.71Å; D323-R328 PolarHBondContact OD1-NH2 3.3Å; D323-R328 IonicContact OD2-CZ 3.7Å; D323-R328 IonicContact OD2-NE 2.71Å; D323-R328 IonicContact OD2-NH2 2.7Å; D323-R328 PolarHBondContact OD2-NH2 3.01Å; V326-R328 PolarHBondContact O-N 2.95Å; R328-F361 CarbonylContact C-O 3.51Å; R328-F361 WeakPolarHBondContact CA-O 3.36Å; R328-F361 WeakPolarHBondContact CB-O 3.1Å
329	W	98.3	Very high	95.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.			trans	-79.7	141.9	173	-177.9	102.1	0	0	0	110.8	P331 F361 R362 N382 D441 L446 P483	W329-P331 HydrophobicContact CZ3-CB 4.42Å; W329-F361 PolarHBondContact N-O 2.82Å; W329-R362 HydrophobicContact CB-CB 4.33Å; W329-R362 HydrophobicContact CB-CG 4.39Å; W329-R362 HydrophobicContact CE3-CB 4.45Å; W329-R362 HydrophobicContact CE3-CG 3.87Å; W329-R362 WeakPolarHBondContact O-CB 3.43Å; W329-N382 PolarHBondContact O-ND2 2.95Å; W329-D441 PolarHBondContact NE1-O 2.71Å; W329-L446 HydrophobicContact CH2-CD2 4Å; W329-L446 HydrophobicContact CZ3-CD2 3.92Å; W329-P483 HydrophobicContact CB-CB 4.41Å; W329-P483 HydrophobicContact CD2-CB 3.69Å; W329-P483 HydrophobicContact CD2-CG 4.05Å; W329-P483 HydrophobicContact CE3-CB 4.02Å; W329-P483 HydrophobicContact CG-CB 3.89Å; W329-P483 HydrophobicContact CG-CG 4.04Å; W329-P483 HydrophobicContact CZ2-CB 4.39Å; W329-P483 HydrophobicContact CZ2-CG 4.39Å
330	W	98.3	Very high	95.6	Very high	56 Å²	56	53.6 Å²	53.6	21%	0.212	29%	0.285	C	S	.	.			trans	-132.2	151.6	179.9	-66.8	86.4	0	0	0	112.2	K336 Q337 N382 V384	W330-K336 PolarHBondContact N-O 2.78Å; W330-Q337 PolarHBondContact O-NE2 2.73Å; W330-N382 HydrophobicContact CE3-CB 4.37Å; W330-N382 HydrophobicContact CH2-CB 3.46Å; W330-N382 VanDerWaalsContact CH2-CB 3.46Å; W330-N382 HydrophobicContact CZ2-CB 3.76Å; W330-N382 HydrophobicContact CZ3-CB 3.78Å; W330-V384 HydrophobicContact CH2-CG2 3.74Å; W330-V384 HydrophobicContact CZ3-CB 4.06Å; W330-V384 HydrophobicContact CZ3-CG2 3.7Å
331	P	97.9	Very high	95.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.			trans	-72.2	165.2	172.5	32.2	-34.8	0	0	0	112	W329 G333 Y334 Q337 V381 V386 G444 L446	W329-P331 HydrophobicContact CZ3-CB 4.42Å; P331-G333 PolarHBondContact O-N 2.84Å; P331-Y334 HydrophobicContact CG-CD2 4.21Å; P331-Y334 HydrophobicContact CG-CG 4.24Å; P331-Y334 PolarHBondContact O-N 2.8Å; P331-Y334 VanDerWaalsContact O-N 3.08Å; P331-Q337 PolarHBondContact O-NE2 3.32Å; P331-V381 HydrophobicContact CG-CG2 4.38Å; P331-V386 HydrophobicContact CG-CG2 4.22Å; P331-G444 CarbonylContact C-O 3.56Å; P331-G444 WeakPolarHBondContact CA-O 3.36Å; P331-L446 HydrophobicContact CB-CD1 3.89Å; P331-L446 HydrophobicContact CB-CD2 3.98Å; P331-L446 HydrophobicContact CB-CG 3.71Å; P331-L446 HydrophobicContact CG-CD1 4.27Å
332	Y	96.5	Very high	95.8	Very high	70 Å²	70	51.4 Å²	51.4	28%	0.275	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	132.4	-178.6	-175.5	-111.6	0	0	0	111.4	Y334 Q416 M420 G444	Y332-Y334 VanDerWaalsContact C-N 3.33Å; Y332-Y334 WeakPolarHBondContact O-CD2 3.46Å; Y332-Y334 PolarHBondContact O-N 3.35Å; Y332-Q416 HydrophobicContact CD1-CG 4.18Å; Y332-Q416 HydrophobicContact CD2-CG 3.9Å; Y332-Q416 VanDerWaalsContact CD2-NE2 3.3Å; Y332-Q416 HydrophobicContact CE1-CG 4.01Å; Y332-Q416 HydrophobicContact CE2-CG 3.71Å; Y332-Q416 VanDerWaalsContact CE2-NE2 3.32Å; Y332-Q416 HydrophobicContact CG-CG 4.13Å; Y332-M420 WeakPolarHBondContact CD1-O 3.44Å; Y332-G444 PolarHBondContact N-O 3.02Å
333	G	93.8	Very high	96	Very high	50 Å²	50	54.2 Å²	54.2	52%	0.515	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-17.4	-174.7	0	0	0	0	0	115.9	P331	P331-G333 PolarHBondContact O-N 2.84Å
334	Y	96.3	Very high	96.1	Very high	15 Å²	15	53 Å²	53	6%	0.059	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-16.2	-174.7	-70.4	-107.4	0	0	0	114	P331 Y332 V384 V386 F387 V757 L791	P331-Y334 HydrophobicContact CG-CD2 4.21Å; P331-Y334 HydrophobicContact CG-CG 4.24Å; P331-Y334 PolarHBondContact O-N 2.8Å; P331-Y334 VanDerWaalsContact O-N 3.08Å; Y332-Y334 VanDerWaalsContact C-N 3.33Å; Y332-Y334 WeakPolarHBondContact O-CD2 3.46Å; Y332-Y334 PolarHBondContact O-N 3.35Å; Y334-V384 HydrophobicContact CD1-CG1 4.16Å; Y334-V384 HydrophobicContact CE1-CG1 4.34Å; Y334-V386 HydrophobicContact CD1-CG2 4.01Å; Y334-V386 HydrophobicContact CD2-CG1 4.46Å; Y334-V386 HydrophobicContact CE1-CB 4.33Å; Y334-V386 HydrophobicContact CE1-CG1 4.41Å; Y334-V386 HydrophobicContact CE1-CG2 3.88Å; Y334-V386 HydrophobicContact CE2-CG1 3.92Å; Y334-V386 HydrophobicContact CG-CG2 4.41Å; Y334-F387 PolarHBondContact OH-N 3.42Å; Y334-V757 HydrophobicContact CD1-CG1 3.89Å; Y334-V757 HydrophobicContact CE1-CG1 4.43Å; Y334-L791 HydrophobicContact CE1-CD2 3.72Å
335	G	95	Very high	96.2	Very high	38 Å²	38	48.7 Å²	48.7	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	172.3	-158.7	177.1	0	0	0	0	0	113.5	Q337	G335-Q337 PolarHBondContact O-NE2 2.93Å
336	K	97	Very high	96.5	Very high	138 Å²	138	45.5 Å²	45.5	60%	0.6	22%	0.216	S	C	*	.			trans	-87.4	146.5	176.2	-63.7	-174.8	-166.6	167.5	0	112.6	E327 W330 R338	E327-K336 IonicContact OE2-NZ 3.61Å; E327-K336 PolarHBondContact OE2-NZ 3.46Å; W330-K336 PolarHBondContact N-O 2.78Å; K336-R338 VanDerWaalsContact C-N 3.3Å; K336-R338 PolarHBondContact O-N 3.04Å; K336-R338 VanDerWaalsContact O-N 3.17Å
337	Q	97.8	Very high	96.4	Very high	52 Å²	52	46.5 Å²	46.5	24%	0.243	22%	0.221	C	C	.	.			trans	-90.2	55.5	177	-63.8	60.9	46.8	0	0	110.3	W330 P331 G335 L339 G444	W330-Q337 PolarHBondContact O-NE2 2.73Å; P331-Q337 PolarHBondContact O-NE2 3.32Å; G335-Q337 PolarHBondContact O-NE2 2.93Å; Q337-L339 PolarHBondContact O-N 3.24Å; Q337-G444 VanDerWaalsContact CG-CA 3.41Å
338	R	97.6	Very high	95.9	Very high	77 Å²	77	43.1 Å²	43.1	29%	0.291	21%	0.207	S	C	.	.			trans	-68.8	111.5	-177.3	-179.5	60.2	160.5	122.2	-1.2	110.4	E297 E327 K336 Y340	E297-R338 IonicContact OE2-CZ 2.62Å; E297-R338 VanDerWaalsContact OE2-CZ 3.23Å; E297-R338 IonicContact OE2-NH1 3.39Å; E297-R338 PolarHBondContact OE2-NH1 2.77Å; E297-R338 IonicContact OE2-NH2 2.75Å; E297-R338 PolarHBondContact OE2-NH2 3.19Å; E327-R338 HydrophobicContact CB-CB 4.13Å; E327-R338 HydrophobicContact CB-CG 3.91Å; E327-R338 IonicContact OE1-NE 3.57Å; K336-R338 VanDerWaalsContact C-N 3.3Å; K336-R338 PolarHBondContact O-N 3.04Å; K336-R338 VanDerWaalsContact O-N 3.17Å; R338-Y340 HydrophobicContact CG-CD2 3.95Å; R338-Y340 HydrophobicContact CG-CE2 3.45Å; R338-Y340 VanDerWaalsContact CG-CE2 3.45Å
339	L	97.6	Very high	94.9	Very high	29 Å²	29	46.3 Å²	46.3	15%	0.152	23%	0.233	C	C	.	.			trans	-99.4	141.7	169.4	-60.4	176.2	0	0	0	110	Q337 H358 I359 D441 R442 P483	Q337-L339 PolarHBondContact O-N 3.24Å; L339-H358 HydrophobicContact CB-CB 4.39Å; L339-I359 CarbonylContact C-O 3.49Å; L339-I359 WeakPolarHBondContact CA-O 3.45Å; L339-D441 HydrophobicContact CD1-CB 4.01Å; L339-D441 HydrophobicContact CD2-CB 4.12Å; L339-R442 HydrophobicContact CD1-CG 3.9Å; L339-P483 HydrophobicContact CD2-CG 3.67Å
340	Y	96.9	Very high	94	Very high	22 Å²	22	50.2 Å²	50.2	9%	0.086	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.2	176.6	-72.6	-113.8	0	0	0	109.2	L296 E297 V326 E327 R338 H358 I359 F361	L296-Y340 HydrophobicContact CD1-CD1 4.09Å; L296-Y340 HydrophobicContact CD1-CG 4.35Å; L296-Y340 HydrophobicContact CG-CD1 4.4Å; E297-Y340 HydrophobicContact CG-CD1 3.38Å; E297-Y340 HydrophobicContact CG-CE1 4.12Å; E297-Y340 HydrophobicContact CG-CG 4.09Å; V326-Y340 HydrophobicContact CG1-CE2 4.4Å; E327-Y340 PolarHBondContact N-OH 2.97Å; R338-Y340 HydrophobicContact CG-CD2 3.95Å; R338-Y340 HydrophobicContact CG-CE2 3.45Å; R338-Y340 VanDerWaalsContact CG-CE2 3.45Å; Y340-H358 CarbonylContact O-C 3.59Å; Y340-H358 VanDerWaalsContact O-CA 3.3Å; Y340-H358 WeakPolarHBondContact O-CA 3.33Å; Y340-I359 PolarHBondContact N-O 3.16Å; Y340-I359 PolarHBondContact O-N 2.65Å; Y340-F361 AromaticContact CD1-CE2 3.96Å; Y340-F361 HydrophobicContact CD1-CE2 3.96Å; Y340-F361 AromaticContact CD2-CD2 3.7Å; Y340-F361 HydrophobicContact CD2-CD2 3.7Å; Y340-F361 AromaticContact CD2-CE2 3.81Å; Y340-F361 HydrophobicContact CD2-CE2 3.81Å; Y340-F361 HydrophobicContact CE1-CE2 4.29Å; Y340-F361 AromaticContact CE2-CD2 3.81Å; Y340-F361 HydrophobicContact CE2-CD2 3.81Å; Y340-F361 HydrophobicContact CE2-CE2 4.12Å; Y340-F361 HydrophobicContact CG-CD2 4.15Å; Y340-F361 AromaticContact CG-CE2 3.76Å; Y340-F361 HydrophobicContact CG-CE2 3.76Å
341	Q	96.4	Very high	93.5	Very high	42 Å²	42	47.9 Å²	47.9	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.8	175.1	-175.8	169.6	95.7	0	0	111	E297 R343 T356 H358	E297-Q341 PolarHBondContact N-O 2.67Å; E297-Q341 VanDerWaalsContact N-O 3.11Å; E297-Q341 PolarHBondContact OE1-N 3.23Å; Q341-R343 HydrophobicContact CG-CG 4.34Å; Q341-R343 VanDerWaalsContact OE1-CZ 3.25Å; Q341-T356 HydrophobicContact CG-CG2 3.49Å; Q341-T356 VanDerWaalsContact CG-CG2 3.49Å; Q341-H358 PolarHBondContact NE2-NE2 3.46Å
342	V	96.8	Very high	93.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.9	171.5	-158.3	0	0	0	0	109.6	F261 V263 V294 T295 L296 T356 I357 I359	F261-V342 HydrophobicContact CE1-CG1 4.49Å; F261-V342 HydrophobicContact CZ-CG1 4.11Å; V263-V342 HydrophobicContact CG1-CG2 4.5Å; V263-V342 HydrophobicContact CG2-CG1 4.18Å; V294-V342 HydrophobicContact CG1-CG1 3.87Å; T295-V342 CarbonylContact O-C 3.59Å; T295-V342 VanDerWaalsContact O-CA 3.32Å; T295-V342 WeakPolarHBondContact O-CA 3.33Å; L296-V342 HydrophobicContact CD1-CG2 3.97Å; V342-T356 WeakPolarHBondContact O-CA 3.44Å; V342-I357 HydrophobicContact CB-CG1 4.37Å; V342-I357 PolarHBondContact N-O 2.85Å; V342-I357 PolarHBondContact O-N 2.84Å; V342-I359 HydrophobicContact CG2-CB 4.36Å; V342-I359 HydrophobicContact CG2-CD1 3.54Å; V342-I359 HydrophobicContact CG2-CG1 3.65Å; V342-I359 HydrophobicContact CG2-CG2 3.89Å
343	R	96.6	Very high	93	Very high	116 Å²	116	47.9 Å²	47.9	44%	0.438	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.4	173.8	-50.8	-175	-176.1	170.2	2	109.4	V294 T295 Q341 I354 K355 T356	V294-R343 WeakPolarHBondContact CA-O 3.2Å; T295-R343 PolarHBondContact N-O 2.83Å; T295-R343 PolarHBondContact O-N 3.32Å; Q341-R343 HydrophobicContact CG-CG 4.34Å; Q341-R343 VanDerWaalsContact OE1-CZ 3.25Å; R343-I354 HydrophobicContact CB-CG2 4.46Å; R343-K355 CarbonylContact C-O 3.6Å; R343-K355 WeakPolarHBondContact CA-O 3.46Å; R343-T356 HydrophobicContact CG-CG2 4.04Å
344	G	96.1	Very high	93	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.9	169.7	0	0	0	0	0	109.7	I258 F261 I354 K355	I258-G344 WeakPolarHBondContact CD1-O 3.46Å; F261-G344 VanDerWaalsContact CZ-CA 3.46Å; G344-I354 CarbonylContact O-C 3.55Å; G344-I354 WeakPolarHBondContact O-CA 3.22Å; G344-K355 PolarHBondContact N-O 2.94Å; G344-K355 PolarHBondContact O-N 3.49Å
345	R	95.4	Very high	92.9	Very high	78 Å²	78	50.4 Å²	50.4	29%	0.294	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.7	178.8	172.9	172.9	177	86.2	-2.8	110.2	T293 D347 S352 D353 I354	T293-R345 PolarHBondContact N-O 3.4Å; T293-R345 PolarHBondContact O-N 2.82Å; R345-D347 WeakPolarHBondContact CD-OD2 3.23Å; R345-D347 IonicContact CZ-OD1 3.98Å; R345-D347 IonicContact CZ-OD2 2.76Å; R345-D347 VanDerWaalsContact NE-CG 3.33Å; R345-D347 IonicContact NE-OD1 3.15Å; R345-D347 PolarHBondContact NE-OD1 3.4Å; R345-D347 IonicContact NE-OD2 2.77Å; R345-D347 PolarHBondContact NE-OD2 3.07Å; R345-D347 IonicContact NH2-OD1 2.71Å; R345-D347 PolarHBondContact NH2-OD1 2.73Å; R345-D347 IonicContact NH2-OD2 2.74Å; R345-S352 PolarHBondContact NH1-OG 2.87Å; R345-S352 PolarHBondContact NH2-OG 3.37Å; R345-D353 WeakPolarHBondContact CA-O 3.42Å; R345-I354 HydrophobicContact CB-CG1 4.21Å; R345-I354 HydrophobicContact CB-CG2 4.47Å; R345-I354 HydrophobicContact CG-CG1 4.09Å
346	I	95.3	Very high	92.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.9	171.2	-62.4	-63.9	0	0	0	108.5	I258 F280 L282 V290 A292 L315 S352 D353	I258-I346 HydrophobicContact CD1-CB 4.27Å; I258-I346 HydrophobicContact CD1-CG1 3.79Å; I258-I346 HydrophobicContact CG1-CB 4.1Å; I258-I346 HydrophobicContact CG1-CG1 3.51Å; F280-I346 HydrophobicContact CD1-CD1 3.83Å; F280-I346 HydrophobicContact CD1-CG1 3.91Å; F280-I346 HydrophobicContact CE1-CD1 3.87Å; F280-I346 HydrophobicContact CE1-CG1 3.97Å; F280-I346 HydrophobicContact CG-CD1 4.32Å; F280-I346 HydrophobicContact CZ-CD1 4.42Å; L282-I346 HydrophobicContact CD1-CD1 3.97Å; L282-I346 HydrophobicContact CD1-CG1 4.2Å; L282-I346 HydrophobicContact CD1-CG2 4.21Å; L282-I346 HydrophobicContact CD2-CD1 4.07Å; L282-I346 HydrophobicContact CD2-CG1 3.69Å; V290-I346 HydrophobicContact CB-CG2 4.03Å; V290-I346 HydrophobicContact CG1-CG2 4.1Å; V290-I346 HydrophobicContact CG2-CG2 4.48Å; A292-I346 HydrophobicContact CB-CD1 3.56Å; L315-I346 HydrophobicContact CD1-CD1 4.46Å; I346-S352 CarbonylContact O-C 3.58Å; I346-S352 WeakPolarHBondContact O-CA 3.41Å; I346-S352 WeakPolarHBondContact O-CB 3.29Å; I346-D353 PolarHBondContact N-O 2.87Å; I346-D353 PolarHBondContact O-N 2.85Å
347	D	92.8	Very high	92.8	Very high	42 Å²	42	46.2 Å²	46.2	23%	0.225	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125	178.1	-82.2	-64.5	0	0	0	111	V290 T291 R345 S352	V290-D347 WeakPolarHBondContact CA-O 3.17Å; T291-D347 PolarHBondContact N-O 3.35Å; T291-D347 PolarHBondContact O-N 3.38Å; R345-D347 WeakPolarHBondContact CD-OD2 3.23Å; R345-D347 IonicContact CZ-OD1 3.98Å; R345-D347 IonicContact CZ-OD2 2.76Å; R345-D347 VanDerWaalsContact NE-CG 3.33Å; R345-D347 IonicContact NE-OD1 3.15Å; R345-D347 PolarHBondContact NE-OD1 3.4Å; R345-D347 IonicContact NE-OD2 2.77Å; R345-D347 PolarHBondContact NE-OD2 3.07Å; R345-D347 IonicContact NH2-OD1 2.71Å; R345-D347 PolarHBondContact NH2-OD1 2.73Å; R345-D347 IonicContact NH2-OD2 2.74Å; D347-S352 VanDerWaalsContact OD1-CB 3.31Å; D347-S352 WeakPolarHBondContact OD1-CB 3.48Å
348	C	85	Confident	92.7	Very high	21 Å²	21	47.8 Å²	47.8	14%	0.142	24%	0.236	C	C	.	.			trans	-104.9	173.4	165.5	-68.4	0	0	0	0	110.8	C255 I350 E351	C255-C348 HydrophobicContact CB-CB 3.46Å; C255-C348 VanDerWaalsContact CB-CB 3.46Å; C255-C348 WeakPolarHBondContact CB-SG 3.3Å; C255-C348 WeakPolarHBondContact SG-CB 3.21Å; C255-C348 CovalentContact SG-SG 2.02Å; C255-C348 PolarHBondContact SG-SG 2.93Å; C348-I350 PolarHBondContact O-N 3.18Å; C348-I350 VanDerWaalsContact O-N 3.12Å; C348-E351 WeakPolarHBondContact CA-O 3.34Å; C348-E351 WeakPolarHBondContact CB-O 3.32Å; C348-E351 PolarHBondContact N-O 3.08Å
349	T	75.5	Confident	92.7	Very high	125 Å²	125	44.1 Å²	44.1	77%	0.767	22%	0.223	S	C	*	.	S	Bend	trans	-61.5	-15.9	173.7	50.6	0	0	0	0	115
350	I	80	Confident	92.7	Very high	81 Å²	81	43 Å²	43	42%	0.415	22%	0.219	S	C	.	.	S	Bend	trans	-140.2	-11	-171.1	56.4	170.6	0	0	0	115.3	D254 C255 C348	D254-I350 HydrophobicContact CB-CD1 3.52Å; C255-I350 HydrophobicContact CB-CG1 4.34Å; C348-I350 PolarHBondContact O-N 3.18Å; C348-I350 VanDerWaalsContact O-N 3.12Å
351	E	87.3	Confident	92.7	Very high	7 Å²	7	42 Å²	42	3%	0.033	22%	0.215	C	C	.	.			trans	-150.4	157.3	-172.3	-76.6	179.5	151	0	0	109.5	I55 K132 F253 D254 C255 C348	I55-E351 HydrophobicContact CD1-CB 4.34Å; I55-E351 HydrophobicContact CG1-CB 4.1Å; I55-E351 HydrophobicContact CG1-CG 4.12Å; K132-E351 IonicContact NZ-OE1 3.09Å; K132-E351 PolarHBondContact NZ-OE1 2.92Å; F253-E351 WeakPolarHBondContact CA-OE1 3.44Å; D254-E351 VanDerWaalsContact N-CD 3.3Å; D254-E351 PolarHBondContact N-OE1 3.33Å; D254-E351 PolarHBondContact N-OE2 3.03Å; C255-E351 HydrophobicContact CB-CB 4.49Å; C255-E351 PolarHBondContact N-OE2 3.27Å; C348-E351 WeakPolarHBondContact CA-O 3.34Å; C348-E351 WeakPolarHBondContact CB-O 3.32Å; C348-E351 PolarHBondContact N-O 3.08Å
352	S	90.4	Very high	92.7	Very high	48 Å²	48	40.7 Å²	40.7	34%	0.336	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	136	170.9	72.7	0	0	0	0	112.2	R345 I346 D347	R345-S352 PolarHBondContact NH1-OG 2.87Å; R345-S352 PolarHBondContact NH2-OG 3.37Å; I346-S352 CarbonylContact O-C 3.58Å; I346-S352 WeakPolarHBondContact O-CA 3.41Å; I346-S352 WeakPolarHBondContact O-CB 3.29Å; D347-S352 VanDerWaalsContact OD1-CB 3.31Å; D347-S352 WeakPolarHBondContact OD1-CB 3.48Å
353	D	92.9	Very high	92.7	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.123	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	154.9	173.4	-166.3	10.5	0	0	0	110.9	I55 I258 R345 I346 K355	I55-D353 HydrophobicContact CD1-CB 3.85Å; I258-D353 WeakPolarHBondContact CB-OD2 3.36Å; I258-D353 HydrophobicContact CD1-CB 4.06Å; I258-D353 HydrophobicContact CG1-CB 4.11Å; I258-D353 PolarHBondContact N-OD2 2.71Å; R345-D353 WeakPolarHBondContact CA-O 3.42Å; I346-D353 PolarHBondContact N-O 2.87Å; I346-D353 PolarHBondContact O-N 2.85Å; D353-K355 IonicContact OD2-NZ 3.8Å
354	I	93.9	Very high	92.8	Very high	50 Å²	50	37.6 Å²	37.6	26%	0.256	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	126.2	177.9	-45.5	178.4	0	0	0	109.9	R343 G344 R345	R343-I354 HydrophobicContact CB-CG2 4.46Å; G344-I354 CarbonylContact O-C 3.55Å; G344-I354 WeakPolarHBondContact O-CA 3.22Å; R345-I354 HydrophobicContact CB-CG1 4.21Å; R345-I354 HydrophobicContact CB-CG2 4.47Å; R345-I354 HydrophobicContact CG-CG1 4.09Å
355	K	94.2	Very high	92.8	Very high	67 Å²	67	40.9 Å²	40.9	29%	0.291	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	148.5	161.8	-57.3	-56	178.6	-167.3	0	110	I258 F261 R343 G344 D353	I258-K355 HydrophobicContact CB-CG 3.87Å; I258-K355 HydrophobicContact CD1-CG 4.02Å; I258-K355 HydrophobicContact CG2-CG 3.55Å; I258-K355 WeakPolarHBondContact O-CE 3.31Å; I258-K355 PolarHBondContact O-NZ 2.84Å; F261-K355 HydrophobicContact CB-CB 3.72Å; F261-K355 HydrophobicContact CB-CG 3.92Å; F261-K355 HydrophobicContact CD1-CB 3.79Å; F261-K355 HydrophobicContact CG-CB 4Å; R343-K355 CarbonylContact C-O 3.6Å; R343-K355 WeakPolarHBondContact CA-O 3.46Å; G344-K355 PolarHBondContact N-O 2.94Å; G344-K355 PolarHBondContact O-N 3.49Å; D353-K355 IonicContact OD2-NZ 3.8Å
356	T	94.8	Very high	92.9	Very high	63 Å²	63	38.6 Å²	38.6	39%	0.387	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.7	176	-60.2	0	0	0	0	108	Q341 V342 R343	Q341-T356 HydrophobicContact CG-CG2 3.49Å; Q341-T356 VanDerWaalsContact CG-CG2 3.49Å; V342-T356 WeakPolarHBondContact O-CA 3.44Å; R343-T356 HydrophobicContact CG-CG2 4.04Å
357	I	95.4	Very high	93	Very high	25 Å²	25	39.2 Å²	39.2	13%	0.128	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	170.6	175.3	62.2	178.9	0	0	0	109.3	F261 V263 V342 H481	F261-I357 HydrophobicContact CD1-CD1 4.05Å; F261-I357 HydrophobicContact CD1-CG1 4.15Å; F261-I357 HydrophobicContact CD1-CG2 4.45Å; F261-I357 HydrophobicContact CE1-CD1 4.04Å; F261-I357 HydrophobicContact CE1-CG1 3.92Å; V263-I357 HydrophobicContact CB-CD1 3.93Å; V263-I357 HydrophobicContact CG2-CD1 3.83Å; V342-I357 HydrophobicContact CB-CG1 4.37Å; V342-I357 PolarHBondContact N-O 2.85Å; V342-I357 PolarHBondContact O-N 2.84Å; I357-H481 HydrophobicContact CD1-CB 4.08Å
358	H	96.4	Very high	93.3	Very high	85 Å²	85	38.6 Å²	38.6	39%	0.394	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	140.6	175.3	-61.7	95.3	0	0	0	110.7	L339 Y340 Q341 H481	L339-H358 HydrophobicContact CB-CB 4.39Å; Y340-H358 CarbonylContact O-C 3.59Å; Y340-H358 VanDerWaalsContact O-CA 3.3Å; Y340-H358 WeakPolarHBondContact O-CA 3.33Å; Q341-H358 PolarHBondContact NE2-NE2 3.46Å; H358-H481 PolarHBondContact O-CD2 2.87Å
359	I	97.1	Very high	93.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.1	178.3	62.1	173.3	0	0	0	110.7	V263 P265 L276 L296 L339 Y340 V342 F361	V263-I359 HydrophobicContact CB-CG2 4.19Å; V263-I359 HydrophobicContact CG1-CD1 4.42Å; V263-I359 HydrophobicContact CG1-CG2 4.1Å; P265-I359 HydrophobicContact CG-CB 4.12Å; P265-I359 HydrophobicContact CG-CD1 3.91Å; P265-I359 HydrophobicContact CG-CG1 4.49Å; P265-I359 HydrophobicContact CG-CG2 4.47Å; L276-I359 HydrophobicContact CD1-CD1 3.68Å; L296-I359 HydrophobicContact CD1-CD1 4.15Å; L339-I359 CarbonylContact C-O 3.49Å; L339-I359 WeakPolarHBondContact CA-O 3.45Å; Y340-I359 PolarHBondContact N-O 3.16Å; Y340-I359 PolarHBondContact O-N 2.65Å; V342-I359 HydrophobicContact CG2-CB 4.36Å; V342-I359 HydrophobicContact CG2-CD1 3.54Å; V342-I359 HydrophobicContact CG2-CG1 3.65Å; V342-I359 HydrophobicContact CG2-CG2 3.89Å; I359-F361 HydrophobicContact CD1-CE1 4.31Å; I359-F361 HydrophobicContact CD1-CE2 3.8Å; I359-F361 HydrophobicContact CD1-CZ 3.68Å; I359-F361 HydrophobicContact CG1-CE2 4.32Å
360	G	97	Very high	94.8	Very high	7 Å²	7	41.8 Å²	41.8	7%	0.072	23%	0.232	C	C	.	.			trans	-116.4	126.6	164.2	0	0	0	0	0	110.1	R362	G360-R362 PolarHBondContact O-N 2.99Å
361	F	97.2	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.			trans	-78.8	109.3	174.4	-66	-90.8	0	0	0	109.3	P265 W274 L276 L296 I321 V326 R328 W329 Y340 I359	P265-F361 HydrophobicContact CB-CD1 3.62Å; P265-F361 HydrophobicContact CB-CE1 3.9Å; P265-F361 HydrophobicContact CB-CG 4.43Å; P265-F361 HydrophobicContact CG-CD1 4.3Å; P265-F361 HydrophobicContact CG-CE1 4.43Å; W274-F361 HydrophobicContact CB-CD1 4.14Å; W274-F361 HydrophobicContact CB-CE1 4.13Å; W274-F361 HydrophobicContact CD2-CB 4.29Å; W274-F361 AromaticContact CD2-CD1 3.63Å; W274-F361 HydrophobicContact CD2-CD1 3.63Å; W274-F361 HydrophobicContact CD2-CE1 4.48Å; W274-F361 HydrophobicContact CD2-CG 4.43Å; W274-F361 HydrophobicContact CE3-CB 4.42Å; W274-F361 AromaticContact CE3-CD1 3.79Å; W274-F361 HydrophobicContact CE3-CD1 3.79Å; W274-F361 AromaticContact CG-CD1 3.77Å; W274-F361 HydrophobicContact CG-CD1 3.77Å; W274-F361 HydrophobicContact CG-CE1 4.23Å; W274-F361 HydrophobicContact CH2-CB 4.26Å; W274-F361 HydrophobicContact CZ2-CB 4.1Å; W274-F361 HydrophobicContact CZ3-CB 4.4Å; W274-F361 HydrophobicContact CZ3-CD1 4.49Å; L276-F361 HydrophobicContact CD1-CE1 4.25Å; L276-F361 HydrophobicContact CD1-CZ 4.43Å; L296-F361 HydrophobicContact CD2-CZ 4.1Å; I321-F361 HydrophobicContact CD1-CE1 4.07Å; I321-F361 HydrophobicContact CD1-CZ 3.86Å; V326-F361 HydrophobicContact CG1-CB 3.4Å; V326-F361 VanDerWaalsContact CG1-CB 3.4Å; V326-F361 HydrophobicContact CG1-CD1 4.23Å; V326-F361 HydrophobicContact CG1-CD2 3.51Å; V326-F361 HydrophobicContact CG1-CE2 4.3Å; V326-F361 HydrophobicContact CG1-CG 3.47Å; V326-F361 VanDerWaalsContact CG1-CG 3.47Å; R328-F361 CarbonylContact C-O 3.51Å; R328-F361 WeakPolarHBondContact CA-O 3.36Å; R328-F361 WeakPolarHBondContact CB-O 3.1Å; W329-F361 PolarHBondContact N-O 2.82Å; Y340-F361 AromaticContact CD1-CE2 3.96Å; Y340-F361 HydrophobicContact CD1-CE2 3.96Å; Y340-F361 AromaticContact CD2-CD2 3.7Å; Y340-F361 HydrophobicContact CD2-CD2 3.7Å; Y340-F361 AromaticContact CD2-CE2 3.81Å; Y340-F361 HydrophobicContact CD2-CE2 3.81Å; Y340-F361 HydrophobicContact CE1-CE2 4.29Å; Y340-F361 AromaticContact CE2-CD2 3.81Å; Y340-F361 HydrophobicContact CE2-CD2 3.81Å; Y340-F361 HydrophobicContact CE2-CE2 4.12Å; Y340-F361 HydrophobicContact CG-CD2 4.15Å; Y340-F361 AromaticContact CG-CE2 3.76Å; Y340-F361 HydrophobicContact CG-CE2 3.76Å; I359-F361 HydrophobicContact CD1-CE1 4.31Å; I359-F361 HydrophobicContact CD1-CE2 3.8Å; I359-F361 HydrophobicContact CD1-CZ 3.68Å; I359-F361 HydrophobicContact CG1-CE2 4.32Å
362	R	97.1	Very high	95.9	Very high	15 Å²	15	43.2 Å²	43.2	6%	0.057	25%	0.249	C	C	.	.			trans	-159.5	141.3	176.9	64.4	104.6	-173.7	97.9	-7.6	113.1	W274 W329 G360 V364 N382 P483 I485	W274-R362 VanDerWaalsContact CH2-N 3.34Å; W329-R362 HydrophobicContact CB-CB 4.33Å; W329-R362 HydrophobicContact CB-CG 4.39Å; W329-R362 HydrophobicContact CE3-CB 4.45Å; W329-R362 HydrophobicContact CE3-CG 3.87Å; W329-R362 WeakPolarHBondContact O-CB 3.43Å; G360-R362 PolarHBondContact O-N 2.99Å; R362-V364 VanDerWaalsContact CZ-CG2 3.48Å; R362-N382 WeakPolarHBondContact CA-OD1 3.38Å; R362-N382 WeakPolarHBondContact CB-OD1 3.28Å; R362-P483 HydrophobicContact CG-CB 4.09Å; R362-P483 VanDerWaalsContact CZ-O 3.22Å; R362-P483 PolarHBondContact NE-O 2.92Å; R362-P483 PolarHBondContact NH2-O 3.38Å; R362-I485 PolarHBondContact NH2-O 3.24Å
363	T	96.8	Very high	96.2	Very high	40 Å²	40	42.4 Å²	42.4	25%	0.245	25%	0.245	C	C	.	.			trans	-90.1	149.5	173.4	56.2	0	0	0	0	111	L267 W274 V381 N382	L267-T363 HydrophobicContact CB-CG2 3.72Å; L267-T363 HydrophobicContact CD2-CG2 3.93Å; L267-T363 HydrophobicContact CG-CG2 4.44Å; W274-T363 HydrophobicContact CH2-CG2 3.94Å; T363-V381 WeakPolarHBondContact O-CA 3.37Å; T363-N382 PolarHBondContact N-OD1 2.84Å; T363-N382 VanDerWaalsContact N-OD1 3.11Å; T363-N382 PolarHBondContact O-N 3Å; T363-N382 WeakPolarHBondContact OG1-CA 3.14Å
364	V	97.5	Very high	96.4	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.9	169	174.1	0	0	0	0	109.3	R362 F379 E380 V381 F486 P536	R362-V364 VanDerWaalsContact CZ-CG2 3.48Å; V364-F379 HydrophobicContact CG1-CD1 4.23Å; V364-E380 VanDerWaalsContact CA-O 3.31Å; V364-E380 WeakPolarHBondContact CA-O 3.35Å; V364-V381 HydrophobicContact CG2-CG1 4.46Å; V364-V381 HydrophobicContact CG2-CG2 4.33Å; V364-F486 HydrophobicContact CG1-CB 4.22Å; V364-F486 HydrophobicContact CG1-CD2 4.43Å; V364-F486 HydrophobicContact CG2-CB 4.06Å; V364-P536 HydrophobicContact CG1-CG 4.24Å
365	T	96.9	Very high	96.5	Very high	69 Å²	69	40.8 Å²	40.8	42%	0.423	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.4	171.6	32.5	0	0	0	0	109.6	F379 E380	T365-F379 WeakPolarHBondContact O-CA 3.23Å; T365-E380 PolarHBondContact N-O 2.72Å; T365-E380 VanDerWaalsContact N-O 3.1Å; T365-E380 PolarHBondContact O-N 2.92Å; T365-E380 WeakPolarHBondContact OG1-CB 3.31Å; T365-E380 PolarHBondContact OG1-OE2 3.36Å
366	L	97.9	Very high	96.7	Very high	30 Å²	30	38.5 Å²	38.5	16%	0.157	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.1	168.3	169.4	54.7	0	0	0	107.1	Q368 F377 F379 P536 V538	L366-Q368 HydrophobicContact CD1-CG 4.32Å; L366-Q368 HydrophobicContact CG-CG 4.08Å; L366-F377 HydrophobicContact CD1-CD1 4.26Å; L366-F377 HydrophobicContact CD1-CD2 3.9Å; L366-F377 HydrophobicContact CD1-CE1 4.26Å; L366-F377 HydrophobicContact CD1-CE2 3.91Å; L366-F377 HydrophobicContact CD1-CG 4.1Å; L366-F377 HydrophobicContact CD1-CZ 4.1Å; L366-F377 HydrophobicContact CD2-CD2 4.42Å; L366-F377 HydrophobicContact CD2-CE2 3.77Å; L366-F377 HydrophobicContact CD2-CZ 4.1Å; L366-F377 HydrophobicContact CG-CE2 4.38Å; L366-F379 HydrophobicContact CB-CD1 4.02Å; L366-F379 HydrophobicContact CB-CE1 3.81Å; L366-F379 HydrophobicContact CB-CZ 4.46Å; L366-F379 HydrophobicContact CD1-CD1 4.25Å; L366-F379 HydrophobicContact CD1-CD2 4.25Å; L366-F379 HydrophobicContact CD1-CE1 3.97Å; L366-F379 HydrophobicContact CD1-CE2 3.97Å; L366-F379 HydrophobicContact CD1-CG 4.4Å; L366-F379 HydrophobicContact CD1-CZ 3.83Å; L366-F379 HydrophobicContact CD2-CE1 4.17Å; L366-F379 HydrophobicContact CD2-CZ 4.11Å; L366-F379 HydrophobicContact CG-CE1 4.19Å; L366-F379 HydrophobicContact CG-CZ 4.35Å; L366-P536 HydrophobicContact CB-CB 3.67Å; L366-P536 HydrophobicContact CB-CG 3.48Å; L366-P536 VanDerWaalsContact CB-CG 3.48Å; L366-P536 HydrophobicContact CD2-CB 4.13Å; L366-V538 HydrophobicContact CD2-CG1 4.12Å
367	S	97.4	Very high	96.9	Very high	15 Å²	15	35.6 Å²	35.6	11%	0.105	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.4	-178.8	-175.5	0	0	0	0	110	F377 Y378	S367-F377 WeakPolarHBondContact O-CA 3.48Å; S367-Y378 WeakPolarHBondContact CB-OH 3.4Å; S367-Y378 PolarHBondContact N-O 2.88Å; S367-Y378 PolarHBondContact O-N 2.91Å; S367-Y378 WeakPolarHBondContact OG-CE1 3.11Å; S367-Y378 VanDerWaalsContact OG-CZ 3.25Å; S367-Y378 PolarHBondContact OG-OH 3.01Å
368	Q	97.5	Very high	97	Very high	29 Å²	29	35.6 Å²	35.6	14%	0.136	21%	0.213	C	C	.	.			trans	-124.1	36.4	178.7	-68.6	177.1	96.9	0	0	111.6	L366 N375 L376 F377	L366-Q368 HydrophobicContact CD1-CG 4.32Å; L366-Q368 HydrophobicContact CG-CG 4.08Å; Q368-N375 PolarHBondContact O-ND2 3.13Å; Q368-L376 WeakPolarHBondContact CA-O 3.36Å; Q368-F377 HydrophobicContact CG-CD2 4.04Å
369	L	96.6	Very high	97.1	Very high	103 Å²	103	31.7 Å²	31.7	54%	0.539	19%	0.194	S	C	.	.			trans	-60.1	150.9	178.3	-60.3	173.1	0	0	0	111.4	A371 N375 L376	L369-A371 PolarHBondContact O-N 3.27Å; L369-N375 WeakPolarHBondContact O-CA 3.49Å; L369-L376 HydrophobicContact CB-CD1 4.3Å; L369-L376 PolarHBondContact O-N 2.62Å
370	P	96.8	Very high	97.1	Very high	109 Å²	109	33.7 Å²	33.7	71%	0.708	20%	0.204	S	C	*	.	B	Isolated β-bridge	trans	-56.2	136.6	174.4	-25.8	35.4	0	0	0	112.8
371	A	95.1	Very high	97.2	Very high	20 Å²	20	33.4 Å²	33.4	17%	0.165	20%	0.201	C	C	.	.			trans	-107.2	176.9	174.1	0	0	0	0	0	109.8	L369 A373 G374 L376 F688	L369-A371 PolarHBondContact O-N 3.27Å; A371-A373 PolarHBondContact O-N 3.12Å; A371-A373 VanDerWaalsContact O-N 3.13Å; A371-G374 PolarHBondContact N-O 2.81Å; A371-L376 HydrophobicContact CB-CD2 3.98Å; A371-L376 HydrophobicContact CB-CG 4.32Å; A371-F688 HydrophobicContact CB-CE1 4.03Å; A371-F688 HydrophobicContact CB-CZ 4.28Å
372	P	96	Very high	97.1	Very high	98 Å²	98	34 Å²	34	64%	0.636	20%	0.204	S	C	*	.	S	Bend	trans	-56.6	-28.8	178.2	-27.2	36.8	0	0	0	114	F688	P372-F688 HydrophobicContact CG-CD1 4.37Å; P372-F688 HydrophobicContact CG-CD2 3.75Å; P372-F688 HydrophobicContact CG-CE2 3.92Å; P372-F688 HydrophobicContact CG-CG 3.98Å; P372-F688 HydrophobicContact CG-CZ 4.3Å
373	A	95.9	Very high	97	Very high	32 Å²	32	35.8 Å²	35.8	26%	0.264	23%	0.227	S	C	.	.	S	Bend	trans	-139.6	138.1	159.5	0	0	0	0	0	108.3	A371 L562 R584 S691	A371-A373 PolarHBondContact O-N 3.12Å; A371-A373 VanDerWaalsContact O-N 3.13Å; A373-L562 HydrophobicContact CB-CD1 4.42Å; A373-L562 HydrophobicContact CB-CD2 3.86Å; A373-R584 PolarHBondContact O-NH2 2.77Å; A373-S691 WeakPolarHBondContact CB-O 3.31Å
374	G	96.1	Very high	97.1	Very high	17 Å²	17	35.4 Å²	35.4	18%	0.175	22%	0.224	C	C	.	.	S	Bend	trans	63.3	-149	-176.7	0	0	0	0	0	114.7	A371 Y563	A371-G374 PolarHBondContact N-O 2.81Å; G374-Y563 WeakPolarHBondContact CA-OH 3.45Å
375	N	97.6	Very high	97.1	Very high	22 Å²	22	36.9 Å²	36.9	12%	0.118	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-120.3	155.7	-175.8	-70.3	18.4	0	0	0	111.8	Q368 L369 L562 Y563 R584	Q368-N375 PolarHBondContact O-ND2 3.13Å; L369-N375 WeakPolarHBondContact O-CA 3.49Å; N375-L562 PolarHBondContact N-O 2.84Å; N375-Y563 HydrophobicContact CB-CD1 3.88Å; N375-Y563 HydrophobicContact CB-CE1 4.29Å; N375-R584 PolarHBondContact O-NE 3.48Å
376	L	97.6	Very high	97.1	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.099	21%	0.214	C	C	.	.			trans	-64.7	163.5	160.8	-60.6	-177	0	0	0	110.9	Q368 L369 A371 Y378 F688 H695	Q368-L376 WeakPolarHBondContact CA-O 3.36Å; L369-L376 HydrophobicContact CB-CD1 4.3Å; L369-L376 PolarHBondContact O-N 2.62Å; A371-L376 HydrophobicContact CB-CD2 3.98Å; A371-L376 HydrophobicContact CB-CG 4.32Å; L376-Y378 HydrophobicContact CB-CD1 4.13Å; L376-Y378 HydrophobicContact CB-CE1 4.27Å; L376-Y378 HydrophobicContact CD1-CD1 4.32Å; L376-Y378 HydrophobicContact CD1-CE1 3.78Å; L376-F688 HydrophobicContact CD2-CE1 4.1Å; L376-F688 HydrophobicContact CD2-CZ 3.88Å; L376-H695 HydrophobicContact CD2-CB 3.92Å
377	F	98.1	Very high	97.1	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	21%	0.206	C	C	.	.			trans	-151.4	99.2	166	-170.9	-89.2	0	0	0	108.7	L366 S367 Q368 F379 W448 V538 G564 D565 R584 C585	L366-F377 HydrophobicContact CD1-CD1 4.26Å; L366-F377 HydrophobicContact CD1-CD2 3.9Å; L366-F377 HydrophobicContact CD1-CE1 4.26Å; L366-F377 HydrophobicContact CD1-CE2 3.91Å; L366-F377 HydrophobicContact CD1-CG 4.1Å; L366-F377 HydrophobicContact CD1-CZ 4.1Å; L366-F377 HydrophobicContact CD2-CD2 4.42Å; L366-F377 HydrophobicContact CD2-CE2 3.77Å; L366-F377 HydrophobicContact CD2-CZ 4.1Å; L366-F377 HydrophobicContact CG-CE2 4.38Å; S367-F377 WeakPolarHBondContact O-CA 3.48Å; Q368-F377 HydrophobicContact CG-CD2 4.04Å; F377-F379 AromaticContact CE1-CE2 3.89Å; F377-F379 HydrophobicContact CE1-CE2 3.89Å; F377-F379 HydrophobicContact CE1-CZ 4.39Å; F377-F379 HydrophobicContact CZ-CE2 4.37Å; F377-F379 HydrophobicContact CZ-CZ 4.42Å; F377-W448 HydrophobicContact CE1-CH2 4.49Å; F377-V538 HydrophobicContact CZ-CG1 4.46Å; F377-G564 VanDerWaalsContact CB-O 3.23Å; F377-G564 WeakPolarHBondContact CB-O 3.42Å; F377-G564 WeakPolarHBondContact CD1-O 3.32Å; F377-G564 VanDerWaalsContact CD2-CA 3.47Å; F377-G564 WeakPolarHBondContact CG-O 3.43Å; F377-D565 HydrophobicContact CE1-CB 4.01Å; F377-D565 HydrophobicContact CZ-CB 4.38Å; F377-R584 HydrophobicContact CB-CB 3.75Å; F377-R584 HydrophobicContact CB-CG 4.34Å; F377-C585 HydrophobicContact CD1-CB 3.7Å; F377-C585 HydrophobicContact CE1-CB 4.12Å
378	Y	97.8	Very high	97.2	Very high	25 Å²	25	31.5 Å²	31.5	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.2	176.7	72.9	-86.9	0	0	0	111.6	S367 L376 E380 P385 H695 M697	S367-Y378 WeakPolarHBondContact CB-OH 3.4Å; S367-Y378 PolarHBondContact N-O 2.88Å; S367-Y378 PolarHBondContact O-N 2.91Å; S367-Y378 WeakPolarHBondContact OG-CE1 3.11Å; S367-Y378 VanDerWaalsContact OG-CZ 3.25Å; S367-Y378 PolarHBondContact OG-OH 3.01Å; L376-Y378 HydrophobicContact CB-CD1 4.13Å; L376-Y378 HydrophobicContact CB-CE1 4.27Å; L376-Y378 HydrophobicContact CD1-CD1 4.32Å; L376-Y378 HydrophobicContact CD1-CE1 3.78Å; Y378-E380 HydrophobicContact CD2-CG 4.11Å; Y378-E380 HydrophobicContact CE2-CG 3.47Å; Y378-E380 VanDerWaalsContact CE2-CG 3.47Å; Y378-E380 VanDerWaalsContact CE2-OE1 3.23Å; Y378-E380 WeakPolarHBondContact CE2-OE1 3.35Å; Y378-E380 PolarHBondContact OH-OE1 2.9Å; Y378-P385 HydrophobicContact CD2-CB 3.87Å; Y378-P385 HydrophobicContact CD2-CG 4.47Å; Y378-P385 HydrophobicContact CE2-CB 3.78Å; Y378-P385 HydrophobicContact CE2-CG 3.86Å; Y378-H695 AromaticContact CD1-CE1 3.73Å; Y378-M697 VanDerWaalsContact CB-CB 3.47Å; Y378-M697 HydrophobicContact CD2-CE 4.24Å; Y378-M697 HydrophobicContact CG-CE 4.4Å; Y378-M697 HydrophobicContact CG-CG 4.36Å
379	F	98.3	Very high	97.2	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.1	-179.6	-65.9	-93.9	0	0	0	111.4	V364 T365 L366 F377 V386 L388 W448 F486 V487 P536	V364-F379 HydrophobicContact CG1-CD1 4.23Å; T365-F379 WeakPolarHBondContact O-CA 3.23Å; L366-F379 HydrophobicContact CB-CD1 4.02Å; L366-F379 HydrophobicContact CB-CE1 3.81Å; L366-F379 HydrophobicContact CB-CZ 4.46Å; L366-F379 HydrophobicContact CD1-CD1 4.25Å; L366-F379 HydrophobicContact CD1-CD2 4.25Å; L366-F379 HydrophobicContact CD1-CE1 3.97Å; L366-F379 HydrophobicContact CD1-CE2 3.97Å; L366-F379 HydrophobicContact CD1-CG 4.4Å; L366-F379 HydrophobicContact CD1-CZ 3.83Å; L366-F379 HydrophobicContact CD2-CE1 4.17Å; L366-F379 HydrophobicContact CD2-CZ 4.11Å; L366-F379 HydrophobicContact CG-CE1 4.19Å; L366-F379 HydrophobicContact CG-CZ 4.35Å; F377-F379 AromaticContact CE1-CE2 3.89Å; F377-F379 HydrophobicContact CE1-CE2 3.89Å; F377-F379 HydrophobicContact CE1-CZ 4.39Å; F377-F379 HydrophobicContact CZ-CE2 4.37Å; F377-F379 HydrophobicContact CZ-CZ 4.42Å; F379-V386 PolarHBondContact O-N 3.37Å; F379-L388 HydrophobicContact CD2-CD1 3.78Å; F379-L388 HydrophobicContact CE2-CD1 4.13Å; F379-W448 HydrophobicContact CE2-CZ3 4.25Å; F379-F486 HydrophobicContact CB-CD2 4.46Å; F379-F486 HydrophobicContact CB-CE2 4.36Å; F379-F486 AromaticContact CD1-CD2 3.62Å; F379-F486 HydrophobicContact CD1-CD2 3.62Å; F379-F486 AromaticContact CD1-CE2 3.63Å; F379-F486 HydrophobicContact CD1-CE2 3.63Å; F379-F486 AromaticContact CD2-CE2 3.75Å; F379-F486 HydrophobicContact CD2-CE2 3.75Å; F379-F486 AromaticContact CE1-CD2 3.88Å; F379-F486 HydrophobicContact CE1-CD2 3.88Å; F379-F486 AromaticContact CE1-CE2 3.7Å; F379-F486 HydrophobicContact CE1-CE2 3.7Å; F379-F486 AromaticContact CE2-CE2 3.83Å; F379-F486 HydrophobicContact CE2-CE2 3.83Å; F379-F486 AromaticContact CG-CD2 3.96Å; F379-F486 HydrophobicContact CG-CD2 3.96Å; F379-F486 AromaticContact CG-CE2 3.64Å; F379-F486 HydrophobicContact CG-CE2 3.64Å; F379-F486 HydrophobicContact CZ-CD2 4.44Å; F379-F486 AromaticContact CZ-CE2 3.8Å; F379-F486 HydrophobicContact CZ-CE2 3.8Å; F379-V487 HydrophobicContact CE1-CB 3.85Å; F379-V487 HydrophobicContact CE1-CG1 4.41Å; F379-V487 HydrophobicContact CE1-CG2 4.05Å; F379-V487 HydrophobicContact CZ-CB 4.08Å; F379-V487 HydrophobicContact CZ-CG1 4.26Å; F379-V487 HydrophobicContact CZ-CG2 4.07Å; F379-P536 HydrophobicContact CD1-CG 4.37Å; F379-P536 HydrophobicContact CE1-CB 4.23Å; F379-P536 HydrophobicContact CE1-CG 4.09Å
380	E	98	Very high	97.3	Very high	42 Å²	42	25.6 Å²	25.6	20%	0.196	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.4	170.9	-62.2	168.4	175.4	0	0	108.9	V364 T365 Y378 V384 P385	V364-E380 VanDerWaalsContact CA-O 3.31Å; V364-E380 WeakPolarHBondContact CA-O 3.35Å; T365-E380 PolarHBondContact N-O 2.72Å; T365-E380 VanDerWaalsContact N-O 3.1Å; T365-E380 PolarHBondContact O-N 2.92Å; T365-E380 WeakPolarHBondContact OG1-CB 3.31Å; T365-E380 PolarHBondContact OG1-OE2 3.36Å; Y378-E380 HydrophobicContact CD2-CG 4.11Å; Y378-E380 HydrophobicContact CE2-CG 3.47Å; Y378-E380 VanDerWaalsContact CE2-CG 3.47Å; Y378-E380 VanDerWaalsContact CE2-OE1 3.23Å; Y378-E380 WeakPolarHBondContact CE2-OE1 3.35Å; Y378-E380 PolarHBondContact OH-OE1 2.9Å; E380-V384 CarbonylContact C-O 3.58Å; E380-V384 VanDerWaalsContact CA-O 3.25Å; E380-V384 WeakPolarHBondContact CA-O 3.14Å; E380-P385 HydrophobicContact CG-CG 4.25Å
381	V	98.1	Very high	97.4	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.6	170.6	-170.9	0	0	0	0	107.9	P331 T363 V364 G383 V384 V386 L446	P331-V381 HydrophobicContact CG-CG2 4.38Å; T363-V381 WeakPolarHBondContact O-CA 3.37Å; V364-V381 HydrophobicContact CG2-CG1 4.46Å; V364-V381 HydrophobicContact CG2-CG2 4.33Å; V381-G383 PolarHBondContact O-N 2.91Å; V381-G383 VanDerWaalsContact O-N 3.1Å; V381-V384 PolarHBondContact N-O 3.16Å; V381-V384 PolarHBondContact O-N 2.89Å; V381-V386 HydrophobicContact CB-CG2 4Å; V381-V386 HydrophobicContact CG2-CB 4.46Å; V381-V386 HydrophobicContact CG2-CG2 3.73Å; V381-L446 HydrophobicContact CG2-CD1 4.43Å; V381-L446 HydrophobicContact CG2-CD2 4.4Å
382	N	96.5	Very high	97.6	Very high	14 Å²	14	19.5 Å²	19.5	8%	0.075	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	22.5	-174.8	-60.9	-41.9	0	0	0	114.9	W329 W330 R362 T363	W329-N382 PolarHBondContact O-ND2 2.95Å; W330-N382 HydrophobicContact CE3-CB 4.37Å; W330-N382 HydrophobicContact CH2-CB 3.46Å; W330-N382 VanDerWaalsContact CH2-CB 3.46Å; W330-N382 HydrophobicContact CZ2-CB 3.76Å; W330-N382 HydrophobicContact CZ3-CB 3.78Å; R362-N382 WeakPolarHBondContact CA-OD1 3.38Å; R362-N382 WeakPolarHBondContact CB-OD1 3.28Å; T363-N382 PolarHBondContact N-OD1 2.84Å; T363-N382 VanDerWaalsContact N-OD1 3.11Å; T363-N382 PolarHBondContact O-N 3Å; T363-N382 WeakPolarHBondContact OG1-CA 3.14Å
383	G	95.2	Very high	97.7	Very high	52 Å²	52	15 Å²	15	54%	0.536	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	11.9	-175.6	0	0	0	0	0	114.9	V381	V381-G383 PolarHBondContact O-N 2.91Å; V381-G383 VanDerWaalsContact O-N 3.1Å
384	V	97.3	Very high	97.9	Very high	31 Å²	31	13.5 Å²	13.5	19%	0.188	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.7	174.8	-178.4	0	0	0	0	109.3	W330 Y334 E380 V381 V386 V757 L791	W330-V384 HydrophobicContact CH2-CG2 3.74Å; W330-V384 HydrophobicContact CZ3-CB 4.06Å; W330-V384 HydrophobicContact CZ3-CG2 3.7Å; Y334-V384 HydrophobicContact CD1-CG1 4.16Å; Y334-V384 HydrophobicContact CE1-CG1 4.34Å; E380-V384 CarbonylContact C-O 3.58Å; E380-V384 VanDerWaalsContact CA-O 3.25Å; E380-V384 WeakPolarHBondContact CA-O 3.14Å; V381-V384 PolarHBondContact N-O 3.16Å; V381-V384 PolarHBondContact O-N 2.89Å; V384-V386 PolarHBondContact O-N 3.48Å; V384-V757 HydrophobicContact CG1-CG1 4.13Å; V384-L791 HydrophobicContact CG1-CD1 3.62Å
385	P	97.5	Very high	97.9	Very high	42 Å²	42	13 Å²	13	27%	0.273	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	122.5	173.4	-23.5	33.6	0	0	0	111.4	Y378 E380 M697	Y378-P385 HydrophobicContact CD2-CB 3.87Å; Y378-P385 HydrophobicContact CD2-CG 4.47Å; Y378-P385 HydrophobicContact CE2-CB 3.78Å; Y378-P385 HydrophobicContact CE2-CG 3.86Å; E380-P385 HydrophobicContact CG-CG 4.25Å; P385-M697 HydrophobicContact CB-CE 3.85Å
386	V	97.8	Very high	97.9	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	119	178.6	178	0	0	0	0	108.9	P331 Y334 F379 V381 V384 L388 N421 L446	P331-V386 HydrophobicContact CG-CG2 4.22Å; Y334-V386 HydrophobicContact CD1-CG2 4.01Å; Y334-V386 HydrophobicContact CD2-CG1 4.46Å; Y334-V386 HydrophobicContact CE1-CB 4.33Å; Y334-V386 HydrophobicContact CE1-CG1 4.41Å; Y334-V386 HydrophobicContact CE1-CG2 3.88Å; Y334-V386 HydrophobicContact CE2-CG1 3.92Å; Y334-V386 HydrophobicContact CG-CG2 4.41Å; F379-V386 PolarHBondContact O-N 3.37Å; V381-V386 HydrophobicContact CB-CG2 4Å; V381-V386 HydrophobicContact CG2-CB 4.46Å; V381-V386 HydrophobicContact CG2-CG2 3.73Å; V384-V386 PolarHBondContact O-N 3.48Å; V386-L388 HydrophobicContact CG1-CD2 4.23Å; V386-L388 PolarHBondContact O-N 3.08Å; V386-N421 WeakPolarHBondContact CG1-ND2 3.33Å; V386-L446 HydrophobicContact CG1-CD1 4.14Å
387	F	98.3	Very high	97.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.072	C	C	.	.			trans	-70.9	120.2	165.7	-168.7	-66.5	0	0	0	108	Y334 K389 N421 R682 R685 T696 M697 T699	Y334-F387 PolarHBondContact OH-N 3.42Å; F387-K389 HydrophobicContact CD1-CG 3.69Å; F387-K389 HydrophobicContact CE1-CG 4.17Å; F387-N421 PolarHBondContact O-ND2 2.81Å; F387-R682 HydrophobicContact CE1-CG 3.95Å; F387-R682 HydrophobicContact CE2-CG 4.1Å; F387-R682 HydrophobicContact CZ-CB 4.43Å; F387-R682 HydrophobicContact CZ-CG 3.57Å; F387-R685 HydrophobicContact CD2-CB 4Å; F387-R685 HydrophobicContact CE2-CB 3.94Å; F387-T696 WeakPolarHBondContact CE2-O 3.38Å; F387-M697 CarbonylContact C-O 3.56Å; F387-M697 WeakPolarHBondContact CA-O 3.27Å; F387-M697 HydrophobicContact CB-CE 4.43Å; F387-M697 HydrophobicContact CB-SD 4.41Å; F387-M697 HydrophobicContact CD2-SD 4.05Å; F387-T699 HydrophobicContact CE1-CG2 4.16Å; F387-T699 HydrophobicContact CZ-CG2 3.97Å
388	L	98.6	Very high	97.9	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.3	179.7	-56.4	-179.4	0	0	0	110.6	F379 V386 C422 L446 F486 M697 C698 T699 L700	F379-L388 HydrophobicContact CD2-CD1 3.78Å; F379-L388 HydrophobicContact CE2-CD1 4.13Å; V386-L388 HydrophobicContact CG1-CD2 4.23Å; V386-L388 PolarHBondContact O-N 3.08Å; L388-C422 HydrophobicContact CB-CB 4.12Å; L388-C422 HydrophobicContact CD2-CB 4.12Å; L388-L446 HydrophobicContact CD2-CD1 3.82Å; L388-F486 HydrophobicContact CD1-CE2 3.95Å; L388-F486 HydrophobicContact CD1-CZ 3.65Å; L388-F486 HydrophobicContact CD2-CE2 4.36Å; L388-F486 HydrophobicContact CD2-CZ 4.13Å; L388-M697 PolarHBondContact N-O 3.38Å; L388-C698 HydrophobicContact CB-CB 4Å; L388-C698 HydrophobicContact CD1-CB 4.25Å; L388-C698 HydrophobicContact CG-CB 4.39Å; L388-C698 WeakPolarHBondContact O-CA 3.36Å; L388-T699 PolarHBondContact O-N 3.31Å; L388-L700 HydrophobicContact CB-CD2 4.35Å
389	K	98.7	Very high	97.9	Very high	9 Å²	9	10.4 Å²	10.4	4%	0.039	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.3	-177.8	-60.5	-177.5	-56.2	-179	0	109.5	F387 N419 M420 N421 C422 F733 D755	F387-K389 HydrophobicContact CD1-CG 3.69Å; F387-K389 HydrophobicContact CE1-CG 4.17Å; K389-N419 VanDerWaalsContact CE-O 3.23Å; K389-N419 WeakPolarHBondContact CE-O 3.13Å; K389-N419 PolarHBondContact NZ-O 3Å; K389-M420 CarbonylContact O-C 3.46Å; K389-M420 WeakPolarHBondContact O-CA 3.1Å; K389-M420 WeakPolarHBondContact O-CB 3.03Å; K389-N421 PolarHBondContact N-OD1 3.5Å; K389-N421 PolarHBondContact O-N 2.93Å; K389-N421 PolarHBondContact O-OD1 3.03Å; K389-C422 PolarHBondContact O-N 3.13Å; K389-F733 HydrophobicContact CB-CB 4.38Å; K389-F733 HydrophobicContact CB-CD1 3.64Å; K389-F733 HydrophobicContact CB-CD2 4.28Å; K389-F733 HydrophobicContact CB-CE1 3.85Å; K389-F733 HydrophobicContact CB-CE2 4.46Å; K389-F733 HydrophobicContact CB-CG 3.88Å; K389-F733 HydrophobicContact CB-CZ 4.26Å; K389-F733 HydrophobicContact CD-CB 3.98Å; K389-F733 HydrophobicContact CD-CD1 3.93Å; K389-F733 HydrophobicContact CD-CG 4.21Å; K389-F733 HydrophobicContact CG-CD1 3.81Å; K389-F733 HydrophobicContact CG-CE1 4.21Å; K389-F733 HydrophobicContact CG-CG 4.35Å; K389-F733 PolarHBondContact NZ-O 2.9Å; K389-D755 WeakPolarHBondContact CD-OD2 3.4Å; K389-D755 VanDerWaalsContact CE-OD2 3.29Å; K389-D755 WeakPolarHBondContact CE-OD2 3.49Å; K389-D755 IonicContact NZ-OD2 2.83Å; K389-D755 PolarHBondContact NZ-OD2 3.36Å
390	G	98.6	Very high	97.8	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-131.8	169.2	0	0	0	0	0	113.6	M420 C422 T699 L700 Y701 F733	G390-M420 VanDerWaalsContact CA-SD 3.54Å; G390-C422 WeakPolarHBondContact CA-O 3.31Å; G390-T699 PolarHBondContact N-O 2.86Å; G390-L700 WeakPolarHBondContact O-CA 3.38Å; G390-Y701 VanDerWaalsContact O-CD1 3.24Å; G390-Y701 WeakPolarHBondContact O-CD1 3.49Å; G390-Y701 PolarHBondContact O-N 2.76Å; G390-F733 VanDerWaalsContact N-CZ 3.3Å
391	A	98.8	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	168.2	-164.7	0	0	0	0	0	112.9	M420 L423 R424 Y701 L704	A391-M420 HydrophobicContact CB-CE 4.37Å; A391-M420 HydrophobicContact CB-SD 4.25Å; A391-L423 HydrophobicContact CB-CD2 4.14Å; A391-L423 VanDerWaalsContact O-CA 3.29Å; A391-L423 WeakPolarHBondContact O-CA 3.38Å; A391-L423 WeakPolarHBondContact O-CD2 3.48Å; A391-R424 PolarHBondContact O-N 3.04Å; A391-Y701 CarbonylContact C-O 3.26Å; A391-Y701 VanDerWaalsContact CA-O 3.24Å; A391-Y701 WeakPolarHBondContact CA-O 3.35Å; A391-Y701 HydrophobicContact CB-CD1 4.43Å; A391-Y701 HydrophobicContact CB-CD2 3.64Å; A391-Y701 HydrophobicContact CB-CE1 4.28Å; A391-Y701 HydrophobicContact CB-CE2 3.42Å; A391-Y701 VanDerWaalsContact CB-CE2 3.42Å; A391-Y701 HydrophobicContact CB-CG 4.16Å; A391-L704 HydrophobicContact CB-CB 3.89Å; A391-L704 HydrophobicContact CB-CD1 4.24Å
392	N	98.8	Very high	97.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.6	172.2	-69.1	-91.8	0	0	0	110.7	R424 S587 L700 Y701 W702 L704	N392-R424 CarbonylContact C-O 3.5Å; N392-R424 WeakPolarHBondContact CA-O 3Å; N392-R424 WeakPolarHBondContact OD1-CB 3.4Å; N392-R424 VanDerWaalsContact OD1-CD 3.27Å; N392-R424 WeakPolarHBondContact OD1-CD 3.47Å; N392-R424 WeakPolarHBondContact OD1-CG 3.49Å; N392-R424 PolarHBondContact OD1-NH1 3.04Å; N392-S587 PolarHBondContact ND2-O 3.29Å; N392-L700 PolarHBondContact ND2-O 3.22Å; N392-Y701 PolarHBondContact N-O 2.83Å; N392-Y701 PolarHBondContact ND2-O 3.46Å; N392-Y701 VanDerWaalsContact ND2-O 3.07Å; N392-W702 HydrophobicContact CB-CD2 4.31Å; N392-W702 HydrophobicContact CB-CE3 3.34Å; N392-W702 HydrophobicContact CB-CH2 4.32Å; N392-W702 HydrophobicContact CB-CZ3 3.37Å; N392-L704 WeakPolarHBondContact O-CB 3.42Å; N392-L704 PolarHBondContact O-N 3.34Å
393	W	98.8	Very high	97.4	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.015	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126.5	177.2	177.1	-82.5	0	0	0	110.1	V396 V408 L411 L412 L423 R424 V425 W426 E432 F436 L704	W393-V396 HydrophobicContact CH2-CG2 3.84Å; W393-V396 HydrophobicContact CZ2-CG2 3.39Å; W393-V408 HydrophobicContact CH2-CG1 4.35Å; W393-L411 HydrophobicContact CH2-CB 3.98Å; W393-L411 HydrophobicContact CH2-CD1 3.84Å; W393-L411 HydrophobicContact CZ3-CB 3.65Å; W393-L411 HydrophobicContact CZ3-CD1 4.02Å; W393-L411 HydrophobicContact CZ3-CG 4.49Å; W393-L412 HydrophobicContact CZ3-CD2 4.32Å; W393-L412 HydrophobicContact CZ3-CG 4.44Å; W393-L423 HydrophobicContact CE3-CD1 4.15Å; W393-R424 PolarHBondContact N-O 3.5Å; W393-V425 HydrophobicContact CB-CG2 4.42Å; W393-V425 HydrophobicContact CG-CG2 4.48Å; W393-W426 PolarHBondContact O-N 2.94Å; W393-E432 PolarHBondContact NE1-OE1 2.78Å; W393-F436 HydrophobicContact CD2-CD2 4.43Å; W393-F436 AromaticContact CD2-CE2 3.57Å; W393-F436 HydrophobicContact CD2-CE2 3.57Å; W393-F436 HydrophobicContact CD2-CZ 4.18Å; W393-F436 AromaticContact CE2-CD2 3.93Å; W393-F436 AromaticContact CE2-CE2 3.5Å; W393-F436 VanDerWaalsContact CE2-CE2 3.5Å; W393-F436 AromaticContact CE3-CE2 3.71Å; W393-F436 HydrophobicContact CE3-CE2 3.71Å; W393-F436 HydrophobicContact CE3-CZ 4.5Å; W393-F436 HydrophobicContact CG-CE2 4.22Å; W393-F436 HydrophobicContact CG-CZ 4.36Å; W393-F436 AromaticContact CH2-CD2 3.83Å; W393-F436 HydrophobicContact CH2-CD2 3.83Å; W393-F436 AromaticContact CH2-CE2 3.75Å; W393-F436 HydrophobicContact CH2-CE2 3.75Å; W393-F436 AromaticContact CZ2-CD2 3.61Å; W393-F436 HydrophobicContact CZ2-CD2 3.61Å; W393-F436 AromaticContact CZ2-CE2 3.6Å; W393-F436 HydrophobicContact CZ2-CE2 3.6Å; W393-F436 HydrophobicContact CZ3-CD2 4.31Å; W393-F436 AromaticContact CZ3-CE2 3.79Å; W393-F436 HydrophobicContact CZ3-CE2 3.79Å; W393-L704 HydrophobicContact CE3-CD2 3.65Å; W393-L704 HydrophobicContact CZ3-CD2 3.99Å
394	V	98.5	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.			trans	-113.7	164.4	172.4	-58.3	0	0	0	0	109.5	W235 W426 W702 N705	W235-V394 HydrophobicContact CE3-CG2 4.44Å; W235-V394 HydrophobicContact CH2-CB 3.65Å; W235-V394 HydrophobicContact CH2-CG1 3.58Å; W235-V394 HydrophobicContact CH2-CG2 4.33Å; W235-V394 HydrophobicContact CZ2-CB 4.29Å; W235-V394 HydrophobicContact CZ2-CG1 3.7Å; W235-V394 HydrophobicContact CZ3-CB 3.82Å; W235-V394 HydrophobicContact CZ3-CG1 4.09Å; W235-V394 HydrophobicContact CZ3-CG2 4.01Å; V394-W426 HydrophobicContact CG1-CE3 4.43Å; V394-W702 HydrophobicContact CG1-CH2 3.6Å; V394-W702 HydrophobicContact CG1-CZ2 3.63Å; V394-N705 VanDerWaalsContact CG2-O 3.27Å; V394-N705 WeakPolarHBondContact CG2-O 3.43Å; V394-N705 PolarHBondContact N-OD1 2.83Å; V394-N705 PolarHBondContact O-ND2 3.33Å; V394-N705 PolarHBondContact O-OD1 2.91Å
395	P	97.9	Very high	97.3	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.039	10%	0.104	C	C	.	.			trans	-50.9	143.2	176.2	-27.8	36.1	0	0	0	113.1	M227 D397 L400 N705 V707	M227-P395 HydrophobicContact CG-CG 4.45Å; M227-P395 HydrophobicContact SD-CB 3.96Å; M227-P395 HydrophobicContact SD-CG 3.58Å; M227-P395 VanDerWaalsContact SD-CG 3.58Å; P395-D397 VanDerWaalsContact C-N 3.29Å; P395-D397 PolarHBondContact O-N 3.36Å; P395-L400 HydrophobicContact CB-CD2 4.16Å; P395-N705 PolarHBondContact O-ND2 3.33Å; P395-V707 HydrophobicContact CB-CG2 4.1Å; P395-V707 WeakPolarHBondContact O-CG2 3.48Å
396	V	97.2	Very high	97.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.121	C	C	.	.	S	Bend	trans	-82.3	-9.6	-175.6	179.1	0	0	0	0	112.9	W393 V403 R407 L411	W393-V396 HydrophobicContact CH2-CG2 3.84Å; W393-V396 HydrophobicContact CZ2-CG2 3.39Å; V396-V403 HydrophobicContact CB-CG1 3.94Å; V396-V403 HydrophobicContact CB-CG2 3.97Å; V396-V403 HydrophobicContact CG1-CG1 4.02Å; V396-V403 HydrophobicContact CG1-CG2 4.37Å; V396-R407 HydrophobicContact CG1-CB 4.14Å; V396-R407 PolarHBondContact O-NH2 3.03Å; V396-L411 HydrophobicContact CG1-CD1 4.05Å; V396-L411 HydrophobicContact CG2-CD1 3.7Å
397	D	97.8	Very high	97.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.011	13%	0.129	C	C	.	.			trans	-162.1	156.5	179.5	-158.4	-56.4	0	0	0	109.4	Y98 P395 F399 R402 V403 Y718	Y98-D397 PolarHBondContact OH-OD1 3.02Å; P395-D397 VanDerWaalsContact C-N 3.29Å; P395-D397 PolarHBondContact O-N 3.36Å; D397-F399 PolarHBondContact O-N 2.97Å; D397-F399 WeakPolarHBondContact OD1-CD2 3.17Å; D397-F399 PolarHBondContact OD1-N 3.1Å; D397-R402 VanDerWaalsContact CG-NH2 3.33Å; D397-R402 IonicContact OD1-CZ 2.77Å; D397-R402 IonicContact OD1-NE 3.66Å; D397-R402 IonicContact OD1-NH2 2.69Å; D397-R402 PolarHBondContact OD1-NH2 2.96Å; D397-R402 VanDerWaalsContact OD1-NH2 3.09Å; D397-R402 IonicContact OD2-CZ 2.99Å; D397-R402 IonicContact OD2-NE 2.69Å; D397-R402 PolarHBondContact OD2-NE 3.24Å; D397-R402 IonicContact OD2-NH2 2.65Å; D397-R402 PolarHBondContact OD2-NH2 3.31Å; D397-V403 HydrophobicContact CB-CG2 3.63Å; D397-Y718 PolarHBondContact OD2-OH 3.35Å
398	S	97.2	Very high	97.1	Very high	7 Å²	7	24.5 Å²	24.5	5%	0.049	13%	0.129	C	C	.	.	S	Bend	trans	-67.8	-28.2	168.5	-58.8	0	0	0	0	111.3	Y98 P237 V707	Y98-S398 VanDerWaalsContact OH-CB 3.31Å; Y98-S398 WeakPolarHBondContact OH-CB 3.25Å; Y98-S398 PolarHBondContact OH-N 3.16Å; Y98-S398 PolarHBondContact OH-OG 2.96Å; P237-S398 WeakPolarHBondContact CG-OG 3.32Å; S398-V707 VanDerWaalsContact OG-CG1 3.26Å; S398-V707 WeakPolarHBondContact OG-CG1 3.44Å
399	F	97.4	Very high	97.1	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.013	14%	0.142	C	C	.	.	S	Bend	trans	-110.3	82.7	-176.6	-45.9	-67.8	0	0	0	109.5	H85 I86 P97 Y98 F239 T241 D397 P401 R402	H85-F399 HydrophobicContact CB-CD1 3.93Å; H85-F399 HydrophobicContact CB-CE1 3.39Å; H85-F399 HydrophobicContact CB-CZ 3.83Å; H85-F399 AromaticContact CG-CE1 3.54Å; H85-F399 AromaticContact ND1-CE1 3.91Å; I86-F399 HydrophobicContact CD1-CB 3.83Å; I86-F399 HydrophobicContact CG1-CB 4.04Å; I86-F399 HydrophobicContact CG1-CG 4.42Å; P97-F399 HydrophobicContact CB-CE2 4.03Å; P97-F399 HydrophobicContact CB-CZ 3.86Å; P97-F399 HydrophobicContact CG-CE2 4.08Å; P97-F399 HydrophobicContact CG-CZ 3.94Å; Y98-F399 HydrophobicContact CD1-CE2 4.27Å; Y98-F399 HydrophobicContact CE1-CD2 4.48Å; Y98-F399 AromaticContact CE1-CE2 3.84Å; Y98-F399 HydrophobicContact CE1-CE2 3.84Å; F239-F399 HydrophobicContact CB-CE1 3.72Å; F239-F399 HydrophobicContact CB-CZ 3.94Å; F239-F399 HydrophobicContact CD1-CE1 4.41Å; F239-F399 HydrophobicContact CD1-CZ 4.02Å; F239-F399 HydrophobicContact CD2-CE1 4.37Å; F239-F399 HydrophobicContact CD2-CE2 4.37Å; F239-F399 AromaticContact CD2-CZ 3.72Å; F239-F399 HydrophobicContact CD2-CZ 3.72Å; F239-F399 HydrophobicContact CE2-CZ 4.27Å; F239-F399 AromaticContact CG-CE1 3.93Å; F239-F399 HydrophobicContact CG-CE1 3.93Å; F239-F399 AromaticContact CG-CZ 3.61Å; F239-F399 HydrophobicContact CG-CZ 3.61Å; T241-F399 HydrophobicContact CG2-CD1 4.31Å; D397-F399 PolarHBondContact O-N 2.97Å; D397-F399 WeakPolarHBondContact OD1-CD2 3.17Å; D397-F399 PolarHBondContact OD1-N 3.1Å; F399-P401 VanDerWaalsContact C-N 3.26Å; F399-P401 WeakPolarHBondContact O-CD 3.5Å; F399-R402 WeakPolarHBondContact O-CB 3.3Å; F399-R402 PolarHBondContact O-N 2.88Å
400	L	96.2	Very high	97	Very high	36 Å²	36	27.5 Å²	27.5	19%	0.188	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-44.6	-37.4	-175.1	-56	-178.6	0	0	0	115.6	M161 M227 Y245 P395 R402 V403 A430	M161-L400 HydrophobicContact CE-CD1 3.72Å; M227-L400 HydrophobicContact SD-CD1 4.48Å; M227-L400 HydrophobicContact SD-CD2 4.17Å; M227-L400 HydrophobicContact SD-CG 4.48Å; Y245-L400 HydrophobicContact CD2-CB 4.4Å; Y245-L400 HydrophobicContact CD2-CD1 4.23Å; Y245-L400 HydrophobicContact CE2-CD1 4.06Å; P395-L400 HydrophobicContact CB-CD2 4.16Å; L400-R402 PolarHBondContact O-N 2.87Å; L400-R402 VanDerWaalsContact O-N 3.12Å; L400-V403 WeakPolarHBondContact O-CB 3.07Å; L400-V403 PolarHBondContact O-N 3.4Å; L400-V403 VanDerWaalsContact O-N 3.08Å; L400-A430 HydrophobicContact CD1-CB 3.93Å
401	P	94.7	Very high	97	Very high	38 Å²	38	27.6 Å²	27.6	25%	0.247	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-63.7	-12.4	175.7	-23.7	36	0	0	0	115.9	P81 I86 F399	P81-P401 HydrophobicContact CB-CB 4.39Å; I86-P401 HydrophobicContact CD1-CB 4.04Å; F399-P401 VanDerWaalsContact C-N 3.26Å; F399-P401 WeakPolarHBondContact O-CD 3.5Å
402	R	93.7	Very high	97	Very high	79 Å²	79	27.6 Å²	27.6	30%	0.298	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-86.2	-13.8	174.7	-167.5	167	70	172.3	-3.9	112.6	I86 D397 F399 L400 S404 Y718	I86-R402 HydrophobicContact CD1-CB 4.07Å; D397-R402 VanDerWaalsContact CG-NH2 3.33Å; D397-R402 IonicContact OD1-CZ 2.77Å; D397-R402 IonicContact OD1-NE 3.66Å; D397-R402 IonicContact OD1-NH2 2.69Å; D397-R402 PolarHBondContact OD1-NH2 2.96Å; D397-R402 VanDerWaalsContact OD1-NH2 3.09Å; D397-R402 IonicContact OD2-CZ 2.99Å; D397-R402 IonicContact OD2-NE 2.69Å; D397-R402 PolarHBondContact OD2-NE 3.24Å; D397-R402 IonicContact OD2-NH2 2.65Å; D397-R402 PolarHBondContact OD2-NH2 3.31Å; F399-R402 WeakPolarHBondContact O-CB 3.3Å; F399-R402 PolarHBondContact O-N 2.88Å; L400-R402 PolarHBondContact O-N 2.87Å; L400-R402 VanDerWaalsContact O-N 3.12Å; R402-S404 PolarHBondContact O-N 2.91Å; R402-Y718 PolarHBondContact NH2-OH 3.5Å; R402-Y718 VanDerWaalsContact NH2-OH 3.09Å
403	V	96.2	Very high	96.9	Very high	33 Å²	33	28.5 Å²	28.5	20%	0.2	15%	0.148	C	C	.	.			trans	-72.6	114.5	-179.9	-178.3	0	0	0	0	109.9	V396 D397 L400 V408	V396-V403 HydrophobicContact CB-CG1 3.94Å; V396-V403 HydrophobicContact CB-CG2 3.97Å; V396-V403 HydrophobicContact CG1-CG1 4.02Å; V396-V403 HydrophobicContact CG1-CG2 4.37Å; D397-V403 HydrophobicContact CB-CG2 3.63Å; L400-V403 WeakPolarHBondContact O-CB 3.07Å; L400-V403 PolarHBondContact O-N 3.4Å; L400-V403 VanDerWaalsContact O-N 3.08Å; V403-V408 HydrophobicContact CG1-CG2 3.72Å
404	S	94.9	Very high	96.9	Very high	48 Å²	48	28.3 Å²	28.3	34%	0.336	15%	0.147	S	C	.	.			trans	-85.7	152	174.1	69.3	0	0	0	0	112.2	R402 D406 R407 V408	R402-S404 PolarHBondContact O-N 2.91Å; S404-D406 PolarHBondContact O-N 2.65Å; S404-R407 PolarHBondContact O-N 2.84Å; S404-R407 PolarHBondContact OG-N 3.11Å; S404-V408 PolarHBondContact O-N 3.49Å
405	N	96.4	Very high	96.9	Very high	85 Å²	85	28.3 Å²	28.3	46%	0.455	15%	0.147	S	C	.	.	H	α-helix	trans	-54.5	-34	172.5	-70.3	13	0	0	0	111.9	R407 V408 Q409 F435	N405-R407 PolarHBondContact O-N 3.3Å; N405-V408 PolarHBondContact O-N 3.03Å; N405-Q409 VanDerWaalsContact O-CB 3.29Å; N405-Q409 WeakPolarHBondContact O-CB 3.22Å; N405-Q409 PolarHBondContact O-N 2.96Å; N405-F435 HydrophobicContact CB-CD1 3.94Å; N405-F435 HydrophobicContact CB-CE1 3.63Å; N405-F435 HydrophobicContact CB-CE2 4.22Å; N405-F435 HydrophobicContact CB-CG 4.38Å; N405-F435 HydrophobicContact CB-CZ 3.78Å; N405-F435 WeakPolarHBondContact ND2-CD2 3.44Å; N405-F435 WeakPolarHBondContact O-CE1 3.38Å
406	D	95.3	Very high	96.8	Very high	120 Å²	120	29.5 Å²	29.5	64%	0.642	15%	0.152	S	C	*	.	H	α-helix	trans	-63.5	-38.2	177.6	-52.4	-50.3	0	0	0	112.7	S404 F410	S404-D406 PolarHBondContact O-N 2.65Å; D406-F410 WeakPolarHBondContact O-CB 3.43Å; D406-F410 PolarHBondContact O-N 3.13Å
407	R	96.6	Very high	96.8	Very high	42 Å²	42	32.1 Å²	32.1	16%	0.158	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-44.4	174.8	-72.4	-178.1	61.2	89	-10.7	110.7	V396 S404 N405 F410 L411 Y718 L720	V396-R407 HydrophobicContact CG1-CB 4.14Å; V396-R407 PolarHBondContact O-NH2 3.03Å; S404-R407 PolarHBondContact O-N 2.84Å; S404-R407 PolarHBondContact OG-N 3.11Å; N405-R407 PolarHBondContact O-N 3.3Å; R407-F410 PolarHBondContact O-N 3.49Å; R407-L411 WeakPolarHBondContact O-CG 3.27Å; R407-L411 PolarHBondContact O-N 3.29Å; R407-L411 VanDerWaalsContact O-N 3.09Å; R407-Y718 PolarHBondContact NH1-O 3.37Å; R407-Y718 PolarHBondContact NH2-O 3.26Å; R407-L720 HydrophobicContact CG-CD1 4.18Å
408	V	98	Very high	96.8	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-46.1	177.4	176.3	0	0	0	0	111.1	W393 V403 S404 N405 F410 L411 L412 F435 F436	W393-V408 HydrophobicContact CH2-CG1 4.35Å; V403-V408 HydrophobicContact CG1-CG2 3.72Å; S404-V408 PolarHBondContact O-N 3.49Å; N405-V408 PolarHBondContact O-N 3.03Å; V408-F410 PolarHBondContact O-N 2.88Å; V408-L411 PolarHBondContact O-N 3.22Å; V408-L412 HydrophobicContact CG1-CD1 3.88Å; V408-L412 WeakPolarHBondContact O-CG 3.37Å; V408-L412 PolarHBondContact O-N 2.78Å; V408-F435 HydrophobicContact CB-CD1 4.26Å; V408-F435 HydrophobicContact CB-CE1 4.2Å; V408-F435 HydrophobicContact CG1-CD1 4.03Å; V408-F435 HydrophobicContact CG1-CE1 4.16Å; V408-F436 HydrophobicContact CG1-CB 4.05Å; V408-F436 HydrophobicContact CG1-CD2 4.03Å
409	Q	96.9	Very high	96.8	Very high	61 Å²	61	33 Å²	33	29%	0.285	17%	0.168	S	C	.	.	H	α-helix	trans	-61.2	-43	176.8	179.6	174.2	-30.9	0	0	111.6	N405 E413 F435	N405-Q409 VanDerWaalsContact O-CB 3.29Å; N405-Q409 WeakPolarHBondContact O-CB 3.22Å; N405-Q409 PolarHBondContact O-N 2.96Å; Q409-E413 WeakPolarHBondContact O-CB 3.48Å; Q409-E413 PolarHBondContact O-N 3.09Å; Q409-F435 HydrophobicContact CB-CE1 4.43Å; Q409-F435 HydrophobicContact CB-CZ 4.44Å
410	F	97.4	Very high	96.9	Very high	11 Å²	11	32.9 Å²	32.9	5%	0.048	17%	0.168	C	C	.	.	H	α-helix	trans	-62.8	-42.1	177.1	-177.6	-84.2	0	0	0	112.3	D406 R407 V408 S414 I716 L720 W722 T878 Y880 K900	D406-F410 WeakPolarHBondContact O-CB 3.43Å; D406-F410 PolarHBondContact O-N 3.13Å; R407-F410 PolarHBondContact O-N 3.49Å; V408-F410 PolarHBondContact O-N 2.88Å; F410-S414 VanDerWaalsContact CE1-OG 3.32Å; F410-S414 WeakPolarHBondContact CE1-OG 3.42Å; F410-S414 VanDerWaalsContact O-CB 3.29Å; F410-S414 WeakPolarHBondContact O-CB 3.44Å; F410-S414 PolarHBondContact O-N 3.09Å; F410-S414 PolarHBondContact O-OG 3.2Å; F410-I716 HydrophobicContact CE1-CG2 4.46Å; F410-L720 HydrophobicContact CB-CD1 4.09Å; F410-L720 HydrophobicContact CD1-CB 3.84Å; F410-L720 HydrophobicContact CD1-CD1 3.89Å; F410-L720 HydrophobicContact CD1-CD2 4.12Å; F410-L720 HydrophobicContact CD1-CG 4.18Å; F410-L720 HydrophobicContact CE1-CB 3.7Å; F410-L720 VanDerWaalsContact CE1-O 3.29Å; F410-L720 WeakPolarHBondContact CE1-O 3.28Å; F410-L720 HydrophobicContact CG-CD1 3.95Å; F410-L720 HydrophobicContact CZ-CB 4.28Å; F410-L720 WeakPolarHBondContact CZ-O 3.14Å; F410-W722 AromaticContact CE1-NE1 3.89Å; F410-W722 AromaticContact CZ-NE1 3.9Å; F410-T878 HydrophobicContact CD2-CG2 4.27Å; F410-T878 HydrophobicContact CE2-CG2 3.92Å; F410-T878 HydrophobicContact CZ-CG2 4.35Å; F410-Y880 HydrophobicContact CE2-CD1 4.11Å; F410-Y880 HydrophobicContact CE2-CE1 4.26Å; F410-Y880 HydrophobicContact CZ-CD1 4.08Å; F410-K900 HydrophobicContact CD2-CG 4.06Å; F410-K900 HydrophobicContact CE2-CG 3.96Å
411	L	98.5	Very high	97	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-69.1	-40.2	179.8	-68.3	171.6	0	0	0	112.2	W393 V396 R407 V408 S414 S415 N705 I716 L720	W393-L411 HydrophobicContact CH2-CB 3.98Å; W393-L411 HydrophobicContact CH2-CD1 3.84Å; W393-L411 HydrophobicContact CZ3-CB 3.65Å; W393-L411 HydrophobicContact CZ3-CD1 4.02Å; W393-L411 HydrophobicContact CZ3-CG 4.49Å; V396-L411 HydrophobicContact CG1-CD1 4.05Å; V396-L411 HydrophobicContact CG2-CD1 3.7Å; R407-L411 WeakPolarHBondContact O-CG 3.27Å; R407-L411 PolarHBondContact O-N 3.29Å; R407-L411 VanDerWaalsContact O-N 3.09Å; V408-L411 PolarHBondContact O-N 3.22Å; L411-S414 PolarHBondContact O-N 3.24Å; L411-S415 WeakPolarHBondContact O-CB 3.42Å; L411-S415 PolarHBondContact O-N 2.71Å; L411-S415 PolarHBondContact O-OG 3.2Å; L411-N705 HydrophobicContact CD1-CB 4.06Å; L411-N705 HydrophobicContact CD2-CB 4.01Å; L411-I716 HydrophobicContact CD2-CB 4.15Å; L411-I716 HydrophobicContact CD2-CD1 3.77Å; L411-I716 HydrophobicContact CD2-CG2 3.88Å; L411-L720 HydrophobicContact CD2-CD2 3.93Å; L411-L720 HydrophobicContact CG-CD2 4.09Å
412	L	98.4	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-72	-34.9	175.2	-68.1	174.3	0	0	0	112.3	W393 V408 Q416 L423 F436 E439 I445	W393-L412 HydrophobicContact CZ3-CD2 4.32Å; W393-L412 HydrophobicContact CZ3-CG 4.44Å; V408-L412 HydrophobicContact CG1-CD1 3.88Å; V408-L412 WeakPolarHBondContact O-CG 3.37Å; V408-L412 PolarHBondContact O-N 2.78Å; L412-Q416 PolarHBondContact O-N 2.93Å; L412-Q416 VanDerWaalsContact O-N 3.15Å; L412-L423 HydrophobicContact CD2-CD1 3.72Å; L412-F436 HydrophobicContact CD1-CD2 3.98Å; L412-F436 HydrophobicContact CD1-CE2 4.37Å; L412-F436 HydrophobicContact CD2-CD2 4.32Å; L412-F436 HydrophobicContact CD2-CE2 3.88Å; L412-F436 HydrophobicContact CG-CD2 4.44Å; L412-F436 HydrophobicContact CG-CE2 4.44Å; L412-E439 HydrophobicContact CB-CG 4.19Å; L412-E439 HydrophobicContact CD1-CB 3.73Å; L412-E439 HydrophobicContact CD1-CG 3.57Å; L412-I445 HydrophobicContact CB-CD1 4.24Å; L412-I445 HydrophobicContact CD2-CD1 3.92Å; L412-I445 WeakPolarHBondContact O-CD1 3.08Å
413	E	97	Very high	97.4	Very high	20 Å²	20	25.6 Å²	25.6	9%	0.093	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-46.3	169.8	-174.5	178.1	-170.2	0	0	111.1	Q409 Q416 Q417 Y880 K900	Q409-E413 WeakPolarHBondContact O-CB 3.48Å; Q409-E413 PolarHBondContact O-N 3.09Å; E413-Q416 WeakPolarHBondContact O-CB 3.39Å; E413-Q416 PolarHBondContact O-N 3.35Å; E413-Q416 VanDerWaalsContact O-N 3.15Å; E413-Q417 HydrophobicContact CG-CG 4.5Å; E413-Q417 WeakPolarHBondContact O-CG 3.21Å; E413-Q417 PolarHBondContact O-N 2.91Å; E413-Y880 PolarHBondContact OE1-OH 2.73Å; E413-K900 IonicContact OE1-NZ 3.61Å; E413-K900 PolarHBondContact OE1-NZ 3.25Å; E413-K900 IonicContact OE2-NZ 2.81Å; E413-K900 PolarHBondContact OE2-NZ 3.03Å
414	S	98.3	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-45.9	179.6	-58.8	0	0	0	0	111.7	F410 L411 Q416 Q417 A418 I716 W722 H726	F410-S414 VanDerWaalsContact CE1-OG 3.32Å; F410-S414 WeakPolarHBondContact CE1-OG 3.42Å; F410-S414 VanDerWaalsContact O-CB 3.29Å; F410-S414 WeakPolarHBondContact O-CB 3.44Å; F410-S414 PolarHBondContact O-N 3.09Å; F410-S414 PolarHBondContact O-OG 3.2Å; L411-S414 PolarHBondContact O-N 3.24Å; S414-Q416 VanDerWaalsContact C-N 3.25Å; S414-Q416 PolarHBondContact O-N 2.94Å; S414-Q417 PolarHBondContact O-N 3.12Å; S414-Q417 VanDerWaalsContact O-N 3.1Å; S414-A418 WeakPolarHBondContact O-CB 3.3Å; S414-A418 PolarHBondContact O-N 3.31Å; S414-I716 VanDerWaalsContact CB-CD1 3.46Å; S414-W722 PolarHBondContact OG-NE1 3.45Å; S414-H726 PolarHBondContact O-NE2 3.08Å
415	S	98.3	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-54.2	-43.2	173.6	-55.7	0	0	0	0	111.7	L411 A418 M420 L704	L411-S415 WeakPolarHBondContact O-CB 3.42Å; L411-S415 PolarHBondContact O-N 2.71Å; L411-S415 PolarHBondContact O-OG 3.2Å; S415-A418 PolarHBondContact O-N 3.23Å; S415-M420 WeakPolarHBondContact O-CB 3.26Å; S415-M420 WeakPolarHBondContact O-CG 3.4Å; S415-M420 PolarHBondContact O-N 2.82Å; S415-L704 WeakPolarHBondContact OG-CD2 3.27Å
416	Q	97	Very high	97.8	Very high	30 Å²	30	18 Å²	18	14%	0.14	9%	0.087	C	C	.	.	H	α-helix	trans	-68	-41.2	176.9	-169	178.2	22.7	0	0	112.7	Y332 L412 E413 S414 A418 N419 R443	Y332-Q416 HydrophobicContact CD1-CG 4.18Å; Y332-Q416 HydrophobicContact CD2-CG 3.9Å; Y332-Q416 VanDerWaalsContact CD2-NE2 3.3Å; Y332-Q416 HydrophobicContact CE1-CG 4.01Å; Y332-Q416 HydrophobicContact CE2-CG 3.71Å; Y332-Q416 VanDerWaalsContact CE2-NE2 3.32Å; Y332-Q416 HydrophobicContact CG-CG 4.13Å; L412-Q416 PolarHBondContact O-N 2.93Å; L412-Q416 VanDerWaalsContact O-N 3.15Å; E413-Q416 WeakPolarHBondContact O-CB 3.39Å; E413-Q416 PolarHBondContact O-N 3.35Å; E413-Q416 VanDerWaalsContact O-N 3.15Å; S414-Q416 VanDerWaalsContact C-N 3.25Å; S414-Q416 PolarHBondContact O-N 2.94Å; Q416-A418 VanDerWaalsContact C-N 3.29Å; Q416-A418 PolarHBondContact O-N 3.12Å; Q416-N419 PolarHBondContact O-N 3.46Å; Q416-N419 VanDerWaalsContact O-N 3.16Å; Q416-R443 PolarHBondContact NE2-O 2.56Å
417	Q	96.4	Very high	98	Very high	56 Å²	56	12.3 Å²	12.3	26%	0.262	6%	0.057	S	C	.	.	H	α-helix	trans	-64.5	-34.7	174.9	-62.9	-46.1	-69.5	0	0	111.9	E413 S414 N419 W722 Y880	E413-Q417 HydrophobicContact CG-CG 4.5Å; E413-Q417 WeakPolarHBondContact O-CG 3.21Å; E413-Q417 PolarHBondContact O-N 2.91Å; S414-Q417 PolarHBondContact O-N 3.12Å; S414-Q417 VanDerWaalsContact O-N 3.1Å; Q417-N419 PolarHBondContact O-N 3.37Å; Q417-N419 VanDerWaalsContact O-N 3.08Å; Q417-W722 HydrophobicContact CB-CH2 3.81Å; Q417-W722 HydrophobicContact CB-CZ2 4.18Å; Q417-Y880 HydrophobicContact CG-CE2 4.14Å
418	A	97.9	Very high	98	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	19.5	173.4	0	0	0	0	0	114	S414 S415 Q416 M420 H726 A729	S414-A418 WeakPolarHBondContact O-CB 3.3Å; S414-A418 PolarHBondContact O-N 3.31Å; S415-A418 PolarHBondContact O-N 3.23Å; Q416-A418 VanDerWaalsContact C-N 3.29Å; Q416-A418 PolarHBondContact O-N 3.12Å; A418-M420 HydrophobicContact CB-CE 3.94Å; A418-M420 HydrophobicContact CB-CG 4.29Å; A418-M420 PolarHBondContact O-N 3.05Å; A418-M420 VanDerWaalsContact O-N 3.09Å; A418-H726 WeakPolarHBondContact CB-NE2 3.38Å; A418-A729 HydrophobicContact CB-CB 4.26Å
419	N	97.8	Very high	97.9	Very high	28 Å²	28	10.4 Å²	10.4	15%	0.15	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	20.8	178.8	-70.9	-56.5	0	0	0	115.4	K389 Q416 Q417 Q730 F733	K389-N419 VanDerWaalsContact CE-O 3.23Å; K389-N419 WeakPolarHBondContact CE-O 3.13Å; K389-N419 PolarHBondContact NZ-O 3Å; Q416-N419 PolarHBondContact O-N 3.46Å; Q416-N419 VanDerWaalsContact O-N 3.16Å; Q417-N419 PolarHBondContact O-N 3.37Å; Q417-N419 VanDerWaalsContact O-N 3.08Å; N419-Q730 PolarHBondContact ND2-O 3.11Å; N419-F733 HydrophobicContact CB-CB 3.89Å; N419-F733 VanDerWaalsContact CB-O 3.26Å; N419-F733 WeakPolarHBondContact CB-O 3.39Å
420	M	98.6	Very high	97.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.			trans	-72.4	145	175.4	-51.7	-172.6	-169.5	0	0	110.9	Y332 K389 G390 A391 S415 A418 L423 Y701 L704 F733	Y332-M420 WeakPolarHBondContact CD1-O 3.44Å; K389-M420 CarbonylContact O-C 3.46Å; K389-M420 WeakPolarHBondContact O-CA 3.1Å; K389-M420 WeakPolarHBondContact O-CB 3.03Å; G390-M420 VanDerWaalsContact CA-SD 3.54Å; A391-M420 HydrophobicContact CB-CE 4.37Å; A391-M420 HydrophobicContact CB-SD 4.25Å; S415-M420 WeakPolarHBondContact O-CB 3.26Å; S415-M420 WeakPolarHBondContact O-CG 3.4Å; S415-M420 PolarHBondContact O-N 2.82Å; A418-M420 HydrophobicContact CB-CE 3.94Å; A418-M420 HydrophobicContact CB-CG 4.29Å; A418-M420 PolarHBondContact O-N 3.05Å; A418-M420 VanDerWaalsContact O-N 3.09Å; M420-L423 HydrophobicContact SD-CD2 3.96Å; M420-Y701 HydrophobicContact CE-CE1 4.14Å; M420-Y701 WeakPolarHBondContact CE-OH 3.44Å; M420-L704 HydrophobicContact CE-CD1 3.88Å; M420-L704 HydrophobicContact SD-CD1 4.27Å; M420-F733 HydrophobicContact CG-CD2 4.04Å; M420-F733 HydrophobicContact CG-CE2 4.15Å
421	N	98.4	Very high	97.9	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	4%	0.039	C	C	.	.			trans	-120.3	-4	171.1	66.9	5.6	0	0	0	112.7	V386 F387 K389 L446	V386-N421 WeakPolarHBondContact CG1-ND2 3.33Å; F387-N421 PolarHBondContact O-ND2 2.81Å; K389-N421 PolarHBondContact N-OD1 3.5Å; K389-N421 PolarHBondContact O-N 2.93Å; K389-N421 PolarHBondContact O-OD1 3.03Å; N421-L446 VanDerWaalsContact O-CB 3.25Å; N421-L446 WeakPolarHBondContact O-CB 3.3Å; N421-L446 WeakPolarHBondContact O-CG 3.4Å; N421-L446 PolarHBondContact O-N 2.96Å
422	C	98.8	Very high	97.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	135.8	-175.6	-175.2	0	0	0	0	111.6	L388 K389 G390 L446 L700	L388-C422 HydrophobicContact CB-CB 4.12Å; L388-C422 HydrophobicContact CD2-CB 4.12Å; K389-C422 PolarHBondContact O-N 3.13Å; G390-C422 WeakPolarHBondContact CA-O 3.31Å; C422-L446 CarbonylContact C-O 3.57Å; C422-L446 VanDerWaalsContact CA-O 3.3Å; C422-L446 WeakPolarHBondContact CA-O 3.33Å; C422-L446 HydrophobicContact CB-CB 4.21Å; C422-L700 HydrophobicContact CB-CD2 3.91Å
423	L	98.9	Very high	97.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.8	165.2	-66.2	176.2	0	0	0	109.7	A391 W393 L412 M420 I445 L446 I447 W448 L704	A391-L423 HydrophobicContact CB-CD2 4.14Å; A391-L423 VanDerWaalsContact O-CA 3.29Å; A391-L423 WeakPolarHBondContact O-CA 3.38Å; A391-L423 WeakPolarHBondContact O-CD2 3.48Å; W393-L423 HydrophobicContact CE3-CD1 4.15Å; L412-L423 HydrophobicContact CD2-CD1 3.72Å; M420-L423 HydrophobicContact SD-CD2 3.96Å; L423-I445 HydrophobicContact CB-CG2 4.21Å; L423-I445 HydrophobicContact CD1-CG2 4.01Å; L423-I445 HydrophobicContact CG-CG2 3.84Å; L423-L446 PolarHBondContact N-O 3.49Å; L423-I447 HydrophobicContact CB-CD1 4.06Å; L423-I447 WeakPolarHBondContact O-CA 3.38Å; L423-W448 PolarHBondContact O-N 3.26Å; L423-L704 HydrophobicContact CD1-CD2 4.24Å; L423-L704 HydrophobicContact CD2-CD2 4.15Å
424	R	98.9	Very high	97.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114.6	172.3	170.7	164.6	166.8	-108.7	3.2	110.5	A391 N392 W393 W426 W448 D450 N492 S541 E588 L700	A391-R424 PolarHBondContact O-N 3.04Å; N392-R424 CarbonylContact C-O 3.5Å; N392-R424 WeakPolarHBondContact CA-O 3Å; N392-R424 WeakPolarHBondContact OD1-CB 3.4Å; N392-R424 VanDerWaalsContact OD1-CD 3.27Å; N392-R424 WeakPolarHBondContact OD1-CD 3.47Å; N392-R424 WeakPolarHBondContact OD1-CG 3.49Å; N392-R424 PolarHBondContact OD1-NH1 3.04Å; W393-R424 PolarHBondContact N-O 3.5Å; R424-W426 PolarHBondContact O-N 3.35Å; R424-W448 CarbonylContact C-O 3.53Å; R424-W448 WeakPolarHBondContact CA-O 3.31Å; R424-W448 HydrophobicContact CB-CB 3.93Å; R424-W448 HydrophobicContact CB-CG 4.17Å; R424-W448 HydrophobicContact CG-CB 4.15Å; R424-W448 HydrophobicContact CG-CG 3.92Å; R424-D450 IonicContact CZ-OD1 3.49Å; R424-D450 IonicContact CZ-OD2 3.2Å; R424-D450 VanDerWaalsContact CZ-OD2 3.3Å; R424-D450 IonicContact NE-OD1 3.24Å; R424-D450 PolarHBondContact NE-OD1 2.73Å; R424-D450 IonicContact NE-OD2 2.67Å; R424-D450 PolarHBondContact NE-OD2 3.08Å; R424-D450 IonicContact NH2-OD1 3.23Å; R424-D450 IonicContact NH2-OD2 3.97Å; R424-D450 PolarHBondContact NH2-OD2 2.89Å; R424-N492 PolarHBondContact NH2-OD1 2.85Å; R424-S541 PolarHBondContact NH2-OG 2.88Å; R424-E588 IonicContact CZ-OE1 2.71Å; R424-E588 IonicContact NH1-OE1 2.65Å; R424-E588 PolarHBondContact NH1-OE1 3.03Å; R424-E588 IonicContact NH2-OE1 2.8Å; R424-L700 HydrophobicContact CB-CD1 4.13Å
425	V	98.8	Very high	97.5	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.018	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	104.4	173	176.3	0	0	0	0	107.4	W393 F436 I447 W448 Q449 D450 M452	W393-V425 HydrophobicContact CB-CG2 4.42Å; W393-V425 HydrophobicContact CG-CG2 4.48Å; V425-F436 HydrophobicContact CG2-CE1 3.65Å; V425-F436 HydrophobicContact CG2-CZ 3.64Å; V425-I447 HydrophobicContact CB-CG2 4.39Å; V425-I447 HydrophobicContact CG2-CG2 3.78Å; V425-W448 PolarHBondContact N-O 2.73Å; V425-Q449 VanDerWaalsContact CG1-NE2 3.32Å; V425-D450 WeakPolarHBondContact O-CB 3.42Å; V425-D450 PolarHBondContact O-N 2.89Å; V425-M452 HydrophobicContact CG1-CE 4.43Å
426	W	98.6	Very high	97.6	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.015	8%	0.079	C	C	.	.			trans	-76.3	140.3	-166.1	167.8	85.2	0	0	0	114	W233 W235 W393 V394 R424 G428 G429 A454 N492 W702	W233-W426 AromaticContact CD2-CH2 3.7Å; W233-W426 HydrophobicContact CD2-CH2 3.7Å; W233-W426 HydrophobicContact CD2-CZ2 4.24Å; W233-W426 AromaticContact CE2-CH2 3.5Å; W233-W426 AromaticContact CE2-CZ2 3.55Å; W233-W426 HydrophobicContact CE3-CH2 4.01Å; W233-W426 HydrophobicContact CG-CH2 4.28Å; W233-W426 AromaticContact CH2-CH2 3.97Å; W233-W426 HydrophobicContact CH2-CH2 3.97Å; W233-W426 AromaticContact CH2-CZ2 3.9Å; W233-W426 HydrophobicContact CH2-CZ2 3.9Å; W233-W426 AromaticContact CZ2-CH2 3.68Å; W233-W426 HydrophobicContact CZ2-CH2 3.68Å; W233-W426 AromaticContact CZ2-CZ2 3.39Å; W233-W426 HydrophobicContact CZ2-CZ2 3.39Å; W233-W426 HydrophobicContact CZ3-CH2 4.13Å; W233-W426 AromaticContact NE1-CH2 3.93Å; W233-W426 AromaticContact NE1-CZ2 3.91Å; W235-W426 HydrophobicContact CH2-CE3 4.19Å; W235-W426 HydrophobicContact CH2-CH2 4.2Å; W235-W426 AromaticContact CH2-CZ3 3.61Å; W235-W426 HydrophobicContact CH2-CZ3 3.61Å; W235-W426 HydrophobicContact CZ2-CE3 4.08Å; W235-W426 AromaticContact CZ2-CH2 3.73Å; W235-W426 HydrophobicContact CZ2-CH2 3.73Å; W235-W426 HydrophobicContact CZ2-CZ2 4.43Å; W235-W426 AromaticContact CZ2-CZ3 3.52Å; W235-W426 HydrophobicContact CZ2-CZ3 3.52Å; W393-W426 PolarHBondContact O-N 2.94Å; V394-W426 HydrophobicContact CG1-CE3 4.43Å; R424-W426 PolarHBondContact O-N 3.35Å; W426-G428 VanDerWaalsContact C-N 3.27Å; W426-G428 VanDerWaalsContact CE3-N 3.34Å; W426-G428 VanDerWaalsContact CH2-CA 3.44Å; W426-G428 PolarHBondContact O-N 3.28Å; W426-G428 VanDerWaalsContact O-N 3.08Å; W426-G429 PolarHBondContact O-N 3.33Å; W426-G429 VanDerWaalsContact O-N 3.07Å; W426-A454 HydrophobicContact CZ2-CB 3.92Å; W426-N492 VanDerWaalsContact CD1-OD1 3.28Å; W426-N492 PolarHBondContact NE1-ND2 3.29Å; W426-N492 PolarHBondContact NE1-OD1 3.25Å; W426-N492 VanDerWaalsContact NE1-OD1 3.13Å; W426-W702 HydrophobicContact CB-CH2 3.94Å; W426-W702 HydrophobicContact CB-CZ3 3.97Å; W426-W702 AromaticContact CD1-CH2 3.55Å; W426-W702 AromaticContact CD1-CZ3 3.44Å; W426-W702 VanDerWaalsContact CD1-CZ3 3.44Å; W426-W702 AromaticContact CD2-CH2 3.6Å; W426-W702 HydrophobicContact CD2-CH2 3.6Å; W426-W702 HydrophobicContact CD2-CZ3 4.27Å; W426-W702 AromaticContact CE2-CH2 3.82Å; W426-W702 HydrophobicContact CE3-CH2 4.22Å; W426-W702 AromaticContact CG-CH2 3.45Å; W426-W702 HydrophobicContact CG-CH2 3.45Å; W426-W702 VanDerWaalsContact CG-CH2 3.45Å; W426-W702 AromaticContact CG-CZ3 3.66Å; W426-W702 HydrophobicContact CG-CZ3 3.66Å; W426-W702 AromaticContact NE1-CH2 3.75Å; W426-W702 AromaticContact NE1-CZ3 3.93Å
427	G	97.7	Very high	97.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-12.8	-167.9	0	0	0	0	0	117.6	D450 L451 M452 F453	G427-D450 PolarHBondContact N-OD2 2.92Å; G427-L451 WeakPolarHBondContact CA-O 2.97Å; G427-M452 CarbonylContact O-C 3.56Å; G427-M452 WeakPolarHBondContact O-CA 3.08Å; G427-F453 CarbonylContact O-C 3.39Å; G427-F453 PolarHBondContact O-N 3.15Å
428	G	96.6	Very high	97.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.9	174.8	0	0	0	0	0	114.3	A228 S229 W426	A228-G428 PolarHBondContact N-O 2.7Å; S229-G428 PolarHBondContact N-O 2.88Å; S229-G428 VanDerWaalsContact N-O 3.09Å; S229-G428 PolarHBondContact OG-O 2.85Å; W426-G428 VanDerWaalsContact C-N 3.27Å; W426-G428 VanDerWaalsContact CE3-N 3.34Å; W426-G428 VanDerWaalsContact CH2-CA 3.44Å; W426-G428 PolarHBondContact O-N 3.28Å; W426-G428 VanDerWaalsContact O-N 3.08Å
429	G	96.5	Very high	97.7	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.021	8%	0.076	C	C	.	.	S	Bend	trans	-84.1	-132.2	177.4	0	0	0	0	0	113.1	M227 W426	M227-G429 VanDerWaalsContact CA-O 3.3Å; M227-G429 WeakPolarHBondContact CA-O 3.31Å; M227-G429 WeakPolarHBondContact CB-O 3.24Å; M227-G429 WeakPolarHBondContact CG-O 3.25Å; W426-G429 PolarHBondContact O-N 3.33Å; W426-G429 VanDerWaalsContact O-N 3.07Å
430	A	96.1	Very high	97.8	Very high	10 Å²	10	13 Å²	13	8%	0.083	7%	0.069	C	C	.	.			trans	-140.9	152.3	172.3	0	0	0	0	0	110.3	M227 L400 E432 M452	M227-A430 HydrophobicContact CB-CB 4.5Å; L400-A430 HydrophobicContact CD1-CB 3.93Å; A430-E432 PolarHBondContact O-N 2.82Å; A430-M452 WeakPolarHBondContact CA-SD 3.37Å; A430-M452 PolarHBondContact N-SD 3.46Å; A430-M452 VanDerWaalsContact N-SD 3.37Å
431	Y	98.2	Very high	97.8	Very high	6 Å²	6	13.1 Å²	13.1	2%	0.024	7%	0.07	C	C	.	.	P	Polyproline II helix	trans	-59.7	121.9	168	-48.4	-85.9	0	0	0	109.4	H162 L451 M452 E471 Q475	H162-Y431 HydrophobicContact CB-CD2 3.76Å; H162-Y431 HydrophobicContact CB-CE2 3.67Å; H162-Y431 AromaticContact CD2-CE2 3.9Å; H162-Y431 AromaticContact CG-CD2 3.64Å; H162-Y431 AromaticContact CG-CE2 3.56Å; H162-Y431 AromaticContact ND1-CD2 3.68Å; Y431-L451 HydrophobicContact CE1-CD2 3.85Å; Y431-M452 HydrophobicContact CD1-CE 4.26Å; Y431-M452 HydrophobicContact CD1-CG 4.1Å; Y431-M452 HydrophobicContact CD2-CG 3.55Å; Y431-M452 HydrophobicContact CE1-CE 4.37Å; Y431-M452 HydrophobicContact CE1-CG 3.89Å; Y431-M452 HydrophobicContact CE2-CB 3.86Å; Y431-M452 HydrophobicContact CE2-CG 3.31Å; Y431-M452 HydrophobicContact CG-CG 3.94Å; Y431-M452 PolarHBondContact OH-N 2.76Å; Y431-E471 HydrophobicContact CE2-CG 4.14Å; Y431-E471 VanDerWaalsContact CE2-OE1 3.23Å; Y431-E471 WeakPolarHBondContact CE2-OE1 3.12Å; Y431-E471 PolarHBondContact OH-OE1 2.89Å; Y431-Q475 HydrophobicContact CD1-CB 4.19Å; Y431-Q475 HydrophobicContact CD1-CG 4.1Å; Y431-Q475 HydrophobicContact CD2-CG 3.72Å; Y431-Q475 HydrophobicContact CE1-CB 4.14Å; Y431-Q475 HydrophobicContact CE1-CG 4.16Å; Y431-Q475 HydrophobicContact CE2-CG 3.79Å; Y431-Q475 HydrophobicContact CG-CB 4.44Å; Y431-Q475 HydrophobicContact CG-CG 3.88Å
432	E	97.7	Very high	97.8	Very high	22 Å²	22	18.1 Å²	18.1	10%	0.103	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-69	170.9	-164.8	-98.1	-65.2	169.4	0	0	114.1	W393 A430 F436 Y437 R478	W393-E432 PolarHBondContact NE1-OE1 2.78Å; A430-E432 PolarHBondContact O-N 2.82Å; E432-F436 HydrophobicContact CB-CB 3.94Å; E432-F436 HydrophobicContact CB-CD1 3.58Å; E432-F436 HydrophobicContact CB-CE1 4.24Å; E432-F436 HydrophobicContact CB-CG 3.8Å; E432-F436 HydrophobicContact CG-CB 4.28Å; E432-F436 HydrophobicContact CG-CD1 3.91Å; E432-F436 HydrophobicContact CG-CD2 4.2Å; E432-F436 HydrophobicContact CG-CE1 4.29Å; E432-F436 HydrophobicContact CG-CG 3.87Å; E432-Y437 HydrophobicContact CB-CD2 4.44Å; E432-Y437 HydrophobicContact CB-CE2 3.62Å; E432-Y437 PolarHBondContact N-OH 3.09Å; E432-Y437 VanDerWaalsContact N-OH 3.16Å; E432-Y437 WeakPolarHBondContact O-CE2 3.4Å; E432-R478 PolarHBondContact O-NH1 3Å; E432-R478 PolarHBondContact O-NH2 2.92Å
433	S	95.8	Very high	97.7	Very high	40 Å²	40	19.8 Å²	19.8	28%	0.28	10%	0.095	S	C	.	.	P	Polyproline II helix	trans	-56.6	149.1	168.5	61.1	0	0	0	0	112	F435 F436 Y437	S433-F435 PolarHBondContact O-N 3.3Å; S433-F436 WeakPolarHBondContact O-CB 3.38Å; S433-F436 PolarHBondContact O-N 3.37Å; S433-F436 VanDerWaalsContact O-N 3.16Å; S433-F436 PolarHBondContact OG-N 3.01Å; S433-Y437 WeakPolarHBondContact O-CD2 3.34Å
434	D	94.7	Very high	97.7	Very high	74 Å²	74	19.8 Å²	19.8	40%	0.396	10%	0.095	S	C	.	.	H	α-helix	trans	-62.3	-34	177.7	-51.4	-73.9	0	0	0	111.3	F436 Y437 E438 R478	D434-F436 VanDerWaalsContact C-N 3.32Å; D434-F436 PolarHBondContact O-N 2.84Å; D434-Y437 PolarHBondContact O-N 2.76Å; D434-E438 WeakPolarHBondContact O-CG 3.19Å; D434-E438 PolarHBondContact O-N 3.28Å; D434-R478 WeakPolarHBondContact OD1-CD 3.38Å; D434-R478 IonicContact OD1-CZ 2.86Å; D434-R478 IonicContact OD1-NE 3.94Å; D434-R478 IonicContact OD1-NH1 2.69Å; D434-R478 PolarHBondContact OD1-NH1 3.4Å; D434-R478 IonicContact OD2-NH1 3.84Å
435	F	96.9	Very high	97.7	Very high	37 Å²	37	19.8 Å²	19.8	16%	0.162	10%	0.095	C	C	.	.	H	α-helix	trans	-58.2	-37.3	174.1	179.3	-96.2	0	0	0	113.6	N405 V408 Q409 S433 E439	N405-F435 HydrophobicContact CB-CD1 3.94Å; N405-F435 HydrophobicContact CB-CE1 3.63Å; N405-F435 HydrophobicContact CB-CE2 4.22Å; N405-F435 HydrophobicContact CB-CG 4.38Å; N405-F435 HydrophobicContact CB-CZ 3.78Å; N405-F435 WeakPolarHBondContact ND2-CD2 3.44Å; N405-F435 WeakPolarHBondContact O-CE1 3.38Å; V408-F435 HydrophobicContact CB-CD1 4.26Å; V408-F435 HydrophobicContact CB-CE1 4.2Å; V408-F435 HydrophobicContact CG1-CD1 4.03Å; V408-F435 HydrophobicContact CG1-CE1 4.16Å; Q409-F435 HydrophobicContact CB-CE1 4.43Å; Q409-F435 HydrophobicContact CB-CZ 4.44Å; S433-F435 PolarHBondContact O-N 3.3Å; F435-E439 VanDerWaalsContact O-CB 3.29Å; F435-E439 WeakPolarHBondContact O-CB 3.45Å; F435-E439 PolarHBondContact O-N 3.1Å
436	F	98.5	Very high	97.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.9	-49	176.2	167.5	-90	0	0	0	111.2	W393 V408 L412 V425 E432 S433 D434 E439 A440 I447	W393-F436 HydrophobicContact CD2-CD2 4.43Å; W393-F436 AromaticContact CD2-CE2 3.57Å; W393-F436 HydrophobicContact CD2-CE2 3.57Å; W393-F436 HydrophobicContact CD2-CZ 4.18Å; W393-F436 AromaticContact CE2-CD2 3.93Å; W393-F436 AromaticContact CE2-CE2 3.5Å; W393-F436 VanDerWaalsContact CE2-CE2 3.5Å; W393-F436 AromaticContact CE3-CE2 3.71Å; W393-F436 HydrophobicContact CE3-CE2 3.71Å; W393-F436 HydrophobicContact CE3-CZ 4.5Å; W393-F436 HydrophobicContact CG-CE2 4.22Å; W393-F436 HydrophobicContact CG-CZ 4.36Å; W393-F436 AromaticContact CH2-CD2 3.83Å; W393-F436 HydrophobicContact CH2-CD2 3.83Å; W393-F436 AromaticContact CH2-CE2 3.75Å; W393-F436 HydrophobicContact CH2-CE2 3.75Å; W393-F436 AromaticContact CZ2-CD2 3.61Å; W393-F436 HydrophobicContact CZ2-CD2 3.61Å; W393-F436 AromaticContact CZ2-CE2 3.6Å; W393-F436 HydrophobicContact CZ2-CE2 3.6Å; W393-F436 HydrophobicContact CZ3-CD2 4.31Å; W393-F436 AromaticContact CZ3-CE2 3.79Å; W393-F436 HydrophobicContact CZ3-CE2 3.79Å; V408-F436 HydrophobicContact CG1-CB 4.05Å; V408-F436 HydrophobicContact CG1-CD2 4.03Å; L412-F436 HydrophobicContact CD1-CD2 3.98Å; L412-F436 HydrophobicContact CD1-CE2 4.37Å; L412-F436 HydrophobicContact CD2-CD2 4.32Å; L412-F436 HydrophobicContact CD2-CE2 3.88Å; L412-F436 HydrophobicContact CG-CD2 4.44Å; L412-F436 HydrophobicContact CG-CE2 4.44Å; V425-F436 HydrophobicContact CG2-CE1 3.65Å; V425-F436 HydrophobicContact CG2-CZ 3.64Å; E432-F436 HydrophobicContact CB-CB 3.94Å; E432-F436 HydrophobicContact CB-CD1 3.58Å; E432-F436 HydrophobicContact CB-CE1 4.24Å; E432-F436 HydrophobicContact CB-CG 3.8Å; E432-F436 HydrophobicContact CG-CB 4.28Å; E432-F436 HydrophobicContact CG-CD1 3.91Å; E432-F436 HydrophobicContact CG-CD2 4.2Å; E432-F436 HydrophobicContact CG-CE1 4.29Å; E432-F436 HydrophobicContact CG-CG 3.87Å; S433-F436 WeakPolarHBondContact O-CB 3.38Å; S433-F436 PolarHBondContact O-N 3.37Å; S433-F436 VanDerWaalsContact O-N 3.16Å; S433-F436 PolarHBondContact OG-N 3.01Å; D434-F436 VanDerWaalsContact C-N 3.32Å; D434-F436 PolarHBondContact O-N 2.84Å; F436-E439 PolarHBondContact O-N 2.89Å; F436-A440 WeakPolarHBondContact O-CB 3.19Å; F436-A440 PolarHBondContact O-N 3.09Å; F436-I447 HydrophobicContact CE1-CD1 3.76Å; F436-I447 HydrophobicContact CE1-CG1 4.18Å; F436-I447 HydrophobicContact CZ-CD1 3.65Å
437	Y	98.6	Very high	97.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69.8	-40	-179.8	-59.5	-77.3	0	0	0	111.9	E432 S433 D434 E439 A440 D441 I447 Q449 L479 I485	E432-Y437 HydrophobicContact CB-CD2 4.44Å; E432-Y437 HydrophobicContact CB-CE2 3.62Å; E432-Y437 PolarHBondContact N-OH 3.09Å; E432-Y437 VanDerWaalsContact N-OH 3.16Å; E432-Y437 WeakPolarHBondContact O-CE2 3.4Å; S433-Y437 WeakPolarHBondContact O-CD2 3.34Å; D434-Y437 PolarHBondContact O-N 2.76Å; Y437-E439 VanDerWaalsContact C-N 3.28Å; Y437-E439 PolarHBondContact O-N 2.93Å; Y437-A440 PolarHBondContact O-N 3.03Å; Y437-D441 WeakPolarHBondContact O-CB 3.45Å; Y437-D441 PolarHBondContact O-N 3.32Å; Y437-I447 HydrophobicContact CE1-CG2 4.3Å; Y437-Q449 VanDerWaalsContact CE1-OE1 3.27Å; Y437-Q449 PolarHBondContact OH-OE1 3.13Å; Y437-L479 HydrophobicContact CD1-CD2 4.31Å; Y437-L479 HydrophobicContact CD2-CD2 3.47Å; Y437-L479 VanDerWaalsContact CD2-CD2 3.47Å; Y437-L479 HydrophobicContact CE1-CD1 4.5Å; Y437-L479 HydrophobicContact CE1-CD2 4.24Å; Y437-L479 HydrophobicContact CE2-CD1 4.24Å; Y437-L479 HydrophobicContact CE2-CD2 3.39Å; Y437-L479 HydrophobicContact CE2-CG 4.47Å; Y437-L479 HydrophobicContact CG-CD2 3.95Å; Y437-I485 HydrophobicContact CD1-CD1 3.76Å; Y437-I485 HydrophobicContact CD1-CG1 3.94Å; Y437-I485 HydrophobicContact CE1-CD1 3.73Å; Y437-I485 HydrophobicContact CE1-CG1 4.05Å
438	E	97.9	Very high	97.7	Very high	64 Å²	64	19.4 Å²	19.4	30%	0.299	9%	0.093	S	C	.	.	H	α-helix	trans	-60.7	-34.6	173.2	-73	-177.3	172	0	0	113.1	D434 R442	D434-E438 WeakPolarHBondContact O-CG 3.19Å; D434-E438 PolarHBondContact O-N 3.28Å; E438-R442 WeakPolarHBondContact O-CB 3.4Å; E438-R442 VanDerWaalsContact O-CG 3.26Å; E438-R442 WeakPolarHBondContact O-CG 3.38Å; E438-R442 PolarHBondContact O-N 2.92Å; E438-R442 VanDerWaalsContact O-N 3.11Å; E438-R442 PolarHBondContact O-NE 2.83Å; E438-R442 IonicContact OE2-NH2 3.73Å; E438-R442 PolarHBondContact OE2-NH2 3.45Å
439	E	98.1	Very high	97.8	Very high	10 Å²	10	19.4 Å²	19.4	5%	0.047	9%	0.093	C	C	.	.	H	α-helix	trans	-79.4	-36	177.7	-178.9	70.8	161.2	0	0	111.6	L412 F435 F436 Y437 R442 R443	L412-E439 HydrophobicContact CB-CG 4.19Å; L412-E439 HydrophobicContact CD1-CB 3.73Å; L412-E439 HydrophobicContact CD1-CG 3.57Å; F435-E439 VanDerWaalsContact O-CB 3.29Å; F435-E439 WeakPolarHBondContact O-CB 3.45Å; F435-E439 PolarHBondContact O-N 3.1Å; F436-E439 PolarHBondContact O-N 2.89Å; Y437-E439 VanDerWaalsContact C-N 3.28Å; Y437-E439 PolarHBondContact O-N 2.93Å; E439-R442 PolarHBondContact O-N 3.26Å; E439-R442 IonicContact OE2-CZ 2.66Å; E439-R442 VanDerWaalsContact OE2-CZ 3.23Å; E439-R442 IonicContact OE2-NE 3.94Å; E439-R442 IonicContact OE2-NH1 2.78Å; E439-R442 PolarHBondContact OE2-NH1 3.36Å; E439-R443 WeakPolarHBondContact O-CB 3.32Å; E439-R443 WeakPolarHBondContact O-CG 3.19Å; E439-R443 PolarHBondContact O-N 3.2Å; E439-R443 IonicContact OE1-CZ 2.68Å; E439-R443 IonicContact OE1-NE 3.9Å; E439-R443 PolarHBondContact OE1-NE 3Å; E439-R443 IonicContact OE1-NH2 2.86Å; E439-R443 PolarHBondContact OE1-NH2 2.99Å
440	A	98.7	Very high	97.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-43.9	169.8	0	0	0	0	0	111.6	F436 Y437 R442 R443 G444 I445 I447	F436-A440 WeakPolarHBondContact O-CB 3.19Å; F436-A440 PolarHBondContact O-N 3.09Å; Y437-A440 PolarHBondContact O-N 3.03Å; A440-R442 VanDerWaalsContact C-N 3.34Å; A440-R442 PolarHBondContact O-N 2.99Å; A440-R443 PolarHBondContact O-N 3.2Å; A440-G444 PolarHBondContact O-N 2.81Å; A440-I445 HydrophobicContact CB-CB 4.27Å; A440-I445 PolarHBondContact O-N 3.32Å; A440-I447 HydrophobicContact CB-CD1 4.16Å; A440-I447 HydrophobicContact CB-CG1 4.04Å
441	D	98.6	Very high	98	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-57.4	-44	172.5	-73.9	-18.7	0	0	0	112	W329 L339 Y437 H482 P483 S484	W329-D441 PolarHBondContact NE1-O 2.71Å; L339-D441 HydrophobicContact CD1-CB 4.01Å; L339-D441 HydrophobicContact CD2-CB 4.12Å; Y437-D441 WeakPolarHBondContact O-CB 3.45Å; Y437-D441 PolarHBondContact O-N 3.32Å; D441-H482 IonicContact OD2-CE1 2.68Å; D441-H482 IonicContact OD2-CG 3.81Å; D441-H482 IonicContact OD2-ND1 2.75Å; D441-H482 PolarHBondContact OD2-ND1 2.65Å; D441-P483 HydrophobicContact CB-CG 4.24Å; D441-P483 VanDerWaalsContact CG-CD 3.47Å; D441-P483 WeakPolarHBondContact OD1-CD 3.4Å; D441-P483 WeakPolarHBondContact OD1-CG 3.46Å; D441-S484 WeakPolarHBondContact OD1-CB 3.28Å; D441-S484 PolarHBondContact OD1-N 2.67Å; D441-S484 PolarHBondContact OD1-OG 3.01Å
442	R	98.2	Very high	98	Very high	106 Å²	106	18.8 Å²	18.8	40%	0.4	9%	0.088	S	C	.	.	H	α-helix	trans	-68.7	-37.9	178.4	-81.8	174.4	-88.3	154.2	-17.4	113	L339 E438 E439 A440	L339-R442 HydrophobicContact CD1-CG 3.9Å; E438-R442 WeakPolarHBondContact O-CB 3.4Å; E438-R442 VanDerWaalsContact O-CG 3.26Å; E438-R442 WeakPolarHBondContact O-CG 3.38Å; E438-R442 PolarHBondContact O-N 2.92Å; E438-R442 VanDerWaalsContact O-N 3.11Å; E438-R442 PolarHBondContact O-NE 2.83Å; E438-R442 IonicContact OE2-NH2 3.73Å; E438-R442 PolarHBondContact OE2-NH2 3.45Å; E439-R442 PolarHBondContact O-N 3.26Å; E439-R442 IonicContact OE2-CZ 2.66Å; E439-R442 VanDerWaalsContact OE2-CZ 3.23Å; E439-R442 IonicContact OE2-NE 3.94Å; E439-R442 IonicContact OE2-NH1 2.78Å; E439-R442 PolarHBondContact OE2-NH1 3.36Å; A440-R442 VanDerWaalsContact C-N 3.34Å; A440-R442 PolarHBondContact O-N 2.99Å
443	R	97.9	Very high	98.1	Very high	34 Å²	34	17.8 Å²	17.8	13%	0.128	8%	0.083	C	C	.	.	H	α-helix	trans	-85.7	-18.8	-178.1	-69.5	-177.1	-176.1	-88.1	-3.4	114.3	Q416 E439 A440 I445	Q416-R443 PolarHBondContact NE2-O 2.56Å; E439-R443 WeakPolarHBondContact O-CB 3.32Å; E439-R443 WeakPolarHBondContact O-CG 3.19Å; E439-R443 PolarHBondContact O-N 3.2Å; E439-R443 IonicContact OE1-CZ 2.68Å; E439-R443 IonicContact OE1-NE 3.9Å; E439-R443 PolarHBondContact OE1-NE 3Å; E439-R443 IonicContact OE1-NH2 2.86Å; E439-R443 PolarHBondContact OE1-NH2 2.99Å; A440-R443 PolarHBondContact O-N 3.2Å; R443-I445 HydrophobicContact CB-CD1 4.05Å; R443-I445 HydrophobicContact CB-CG1 4.06Å
444	G	98.2	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	21.8	-175.7	0	0	0	0	0	113	P331 Y332 Q337 A440 L446	P331-G444 CarbonylContact C-O 3.56Å; P331-G444 WeakPolarHBondContact CA-O 3.36Å; Y332-G444 PolarHBondContact N-O 3.02Å; Q337-G444 VanDerWaalsContact CG-CA 3.41Å; A440-G444 PolarHBondContact O-N 2.81Å; G444-L446 PolarHBondContact O-N 3.18Å
445	I	98.7	Very high	98.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	5%	0.054	C	C	.	.			trans	-82.9	116.5	177.5	-62.4	170.5	0	0	0	107.4	L412 L423 A440 R443 I447 S484	L412-I445 HydrophobicContact CB-CD1 4.24Å; L412-I445 HydrophobicContact CD2-CD1 3.92Å; L412-I445 WeakPolarHBondContact O-CD1 3.08Å; L423-I445 HydrophobicContact CB-CG2 4.21Å; L423-I445 HydrophobicContact CD1-CG2 4.01Å; L423-I445 HydrophobicContact CG-CG2 3.84Å; A440-I445 HydrophobicContact CB-CB 4.27Å; A440-I445 PolarHBondContact O-N 3.32Å; R443-I445 HydrophobicContact CB-CD1 4.05Å; R443-I445 HydrophobicContact CB-CG1 4.06Å; I445-I447 HydrophobicContact CG2-CD1 4.23Å; I445-S484 WeakPolarHBondContact O-CB 3.45Å
446	L	98.8	Very high	98.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	138	172.2	-65.2	170.9	0	0	0	109.5	W329 P331 V381 V386 L388 N421 C422 L423 G444 S484 F486	W329-L446 HydrophobicContact CH2-CD2 4Å; W329-L446 HydrophobicContact CZ3-CD2 3.92Å; P331-L446 HydrophobicContact CB-CD1 3.89Å; P331-L446 HydrophobicContact CB-CD2 3.98Å; P331-L446 HydrophobicContact CB-CG 3.71Å; P331-L446 HydrophobicContact CG-CD1 4.27Å; V381-L446 HydrophobicContact CG2-CD1 4.43Å; V381-L446 HydrophobicContact CG2-CD2 4.4Å; V386-L446 HydrophobicContact CG1-CD1 4.14Å; L388-L446 HydrophobicContact CD2-CD1 3.82Å; N421-L446 VanDerWaalsContact O-CB 3.25Å; N421-L446 WeakPolarHBondContact O-CB 3.3Å; N421-L446 WeakPolarHBondContact O-CG 3.4Å; N421-L446 PolarHBondContact O-N 2.96Å; C422-L446 CarbonylContact C-O 3.57Å; C422-L446 VanDerWaalsContact CA-O 3.3Å; C422-L446 WeakPolarHBondContact CA-O 3.33Å; C422-L446 HydrophobicContact CB-CB 4.21Å; L423-L446 PolarHBondContact N-O 3.49Å; G444-L446 PolarHBondContact O-N 3.18Å; L446-S484 CarbonylContact C-O 3.55Å; L446-S484 WeakPolarHBondContact CA-O 3.41Å; L446-F486 HydrophobicContact CB-CD1 3.58Å; L446-F486 HydrophobicContact CB-CE1 3.81Å; L446-F486 HydrophobicContact CB-CG 4.4Å; L446-F486 HydrophobicContact CD2-CB 4.14Å; L446-F486 HydrophobicContact CD2-CD1 4.32Å; L446-F486 HydrophobicContact CD2-CG 4.39Å; L446-F486 HydrophobicContact CG-CD1 4.39Å
447	I	98.9	Very high	98	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.6	175.1	-59.7	-60.3	0	0	0	109.8	L423 V425 F436 Y437 A440 I445 Q449 S484 I485 F486	L423-I447 HydrophobicContact CB-CD1 4.06Å; L423-I447 WeakPolarHBondContact O-CA 3.38Å; V425-I447 HydrophobicContact CB-CG2 4.39Å; V425-I447 HydrophobicContact CG2-CG2 3.78Å; F436-I447 HydrophobicContact CE1-CD1 3.76Å; F436-I447 HydrophobicContact CE1-CG1 4.18Å; F436-I447 HydrophobicContact CZ-CD1 3.65Å; Y437-I447 HydrophobicContact CE1-CG2 4.3Å; A440-I447 HydrophobicContact CB-CD1 4.16Å; A440-I447 HydrophobicContact CB-CG1 4.04Å; I445-I447 HydrophobicContact CG2-CD1 4.23Å; I447-Q449 HydrophobicContact CG2-CB 4.22Å; I447-S484 PolarHBondContact N-O 2.74Å; I447-I485 HydrophobicContact CB-CG1 4Å; I447-I485 HydrophobicContact CG2-CG1 4.14Å; I447-I485 VanDerWaalsContact O-CA 3.31Å; I447-I485 WeakPolarHBondContact O-CA 3.31Å; I447-F486 VanDerWaalsContact C-CD1 3.43Å; I447-F486 VanDerWaalsContact C-CE1 3.46Å; I447-F486 WeakPolarHBondContact O-CD1 3.43Å; I447-F486 PolarHBondContact O-N 2.81Å
448	W	98.8	Very high	98	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	113.7	160.4	176.8	-50.6	0	0	0	105.9	F377 F379 L423 R424 V425 D450 F486 V487 S489 V538 D565 L700	F377-W448 HydrophobicContact CE1-CH2 4.49Å; F379-W448 HydrophobicContact CE2-CZ3 4.25Å; L423-W448 PolarHBondContact O-N 3.26Å; R424-W448 CarbonylContact C-O 3.53Å; R424-W448 WeakPolarHBondContact CA-O 3.31Å; R424-W448 HydrophobicContact CB-CB 3.93Å; R424-W448 HydrophobicContact CB-CG 4.17Å; R424-W448 HydrophobicContact CG-CB 4.15Å; R424-W448 HydrophobicContact CG-CG 3.92Å; V425-W448 PolarHBondContact N-O 2.73Å; W448-D450 PolarHBondContact NE1-OD1 3.08Å; W448-F486 HydrophobicContact CB-CE1 3.84Å; W448-F486 HydrophobicContact CB-CZ 4Å; W448-F486 HydrophobicContact CE3-CZ 4.14Å; W448-F486 VanDerWaalsContact N-CE1 3.34Å; W448-V487 HydrophobicContact CB-CG1 3.82Å; W448-V487 HydrophobicContact CD2-CG1 3.67Å; W448-V487 HydrophobicContact CE3-CG1 3.94Å; W448-V487 HydrophobicContact CG-CG1 3.61Å; W448-S489 VanDerWaalsContact NE1-CB 3.32Å; W448-V538 HydrophobicContact CZ2-CG2 4.3Å; W448-D565 HydrophobicContact CH2-CB 4.19Å; W448-L700 HydrophobicContact CE3-CD1 4.49Å
449	Q	98.7	Very high	97.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	101.2	-174.8	-173.3	60.3	73.9	0	0	109.9	V425 Y437 I447 I485 V487 W488 S489	V425-Q449 VanDerWaalsContact CG1-NE2 3.32Å; Y437-Q449 VanDerWaalsContact CE1-OE1 3.27Å; Y437-Q449 PolarHBondContact OH-OE1 3.13Å; I447-Q449 HydrophobicContact CG2-CB 4.22Å; Q449-I485 HydrophobicContact CB-CG2 3.83Å; Q449-V487 PolarHBondContact N-O 2.72Å; Q449-V487 VanDerWaalsContact N-O 3.13Å; Q449-W488 HydrophobicContact CB-CE3 3.99Å; Q449-W488 HydrophobicContact CB-CZ3 4.02Å; Q449-W488 HydrophobicContact CG-CE3 4Å; Q449-W488 HydrophobicContact CG-CZ3 3.71Å; Q449-S489 PolarHBondContact O-N 3.25Å
450	D	98.7	Very high	97.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	147.6	161.9	-66.2	-9.9	0	0	0	109.1	R424 V425 G427 W448 M452 S489	R424-D450 IonicContact CZ-OD1 3.49Å; R424-D450 IonicContact CZ-OD2 3.2Å; R424-D450 VanDerWaalsContact CZ-OD2 3.3Å; R424-D450 IonicContact NE-OD1 3.24Å; R424-D450 PolarHBondContact NE-OD1 2.73Å; R424-D450 IonicContact NE-OD2 2.67Å; R424-D450 PolarHBondContact NE-OD2 3.08Å; R424-D450 IonicContact NH2-OD1 3.23Å; R424-D450 IonicContact NH2-OD2 3.97Å; R424-D450 PolarHBondContact NH2-OD2 2.89Å; V425-D450 WeakPolarHBondContact O-CB 3.42Å; V425-D450 PolarHBondContact O-N 2.89Å; G427-D450 PolarHBondContact N-OD2 2.92Å; W448-D450 PolarHBondContact NE1-OD1 3.08Å; D450-M452 WeakPolarHBondContact O-CE 3.45Å; D450-S489 CarbonylContact C-O 3.54Å; D450-S489 WeakPolarHBondContact CA-O 3.39Å; D450-S489 WeakPolarHBondContact OD1-CB 3.44Å; D450-S489 PolarHBondContact OD1-OG 3.23Å
451	L	98.3	Very high	97.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.053	C	C	.	.			trans	-78.1	159.1	159.1	-57.9	178.1	0	0	0	109	G427 Y431 F453 V472 S489 I523	G427-L451 WeakPolarHBondContact CA-O 2.97Å; Y431-L451 HydrophobicContact CE1-CD2 3.85Å; L451-F453 HydrophobicContact CB-CD2 4.04Å; L451-F453 HydrophobicContact CB-CE2 4.18Å; L451-F453 PolarHBondContact O-N 3.37Å; L451-V472 HydrophobicContact CD1-CG1 3.85Å; L451-V472 HydrophobicContact CD1-CG2 3.96Å; L451-S489 PolarHBondContact N-O 3.47Å; L451-I523 HydrophobicContact CD1-CD1 4.36Å; L451-I523 HydrophobicContact CD1-CG2 3.38Å
452	M	98.2	Very high	97.7	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.025	8%	0.082	C	C	.	.	S	Bend	trans	-78.9	65.2	-165.4	-64	-61.3	109.2	0	0	113.9	R225 V425 G427 A430 Y431 D450	R225-M452 VanDerWaalsContact CZ-O 3.27Å; R225-M452 PolarHBondContact NH1-O 3.05Å; R225-M452 PolarHBondContact NH2-O 3.04Å; V425-M452 HydrophobicContact CG1-CE 4.43Å; G427-M452 CarbonylContact O-C 3.56Å; G427-M452 WeakPolarHBondContact O-CA 3.08Å; A430-M452 WeakPolarHBondContact CA-SD 3.37Å; A430-M452 PolarHBondContact N-SD 3.46Å; A430-M452 VanDerWaalsContact N-SD 3.37Å; Y431-M452 HydrophobicContact CD1-CE 4.26Å; Y431-M452 HydrophobicContact CD1-CG 4.1Å; Y431-M452 HydrophobicContact CD2-CG 3.55Å; Y431-M452 HydrophobicContact CE1-CE 4.37Å; Y431-M452 HydrophobicContact CE1-CG 3.89Å; Y431-M452 HydrophobicContact CE2-CB 3.86Å; Y431-M452 HydrophobicContact CE2-CG 3.31Å; Y431-M452 HydrophobicContact CG-CG 3.94Å; Y431-M452 PolarHBondContact OH-N 2.76Å; D450-M452 WeakPolarHBondContact O-CE 3.45Å
453	F	98.5	Very high	97.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.			trans	-136.6	129.8	174.7	-55.3	-91.7	0	0	0	109.3	R225 G427 L451 Y458 F464 V468 N491 N492 L518 Y519 I523	R225-F453 VanDerWaalsContact CZ-CE1 3.49Å; R225-F453 VanDerWaalsContact NH1-CE1 3.32Å; G427-F453 CarbonylContact O-C 3.39Å; G427-F453 PolarHBondContact O-N 3.15Å; L451-F453 HydrophobicContact CB-CD2 4.04Å; L451-F453 HydrophobicContact CB-CE2 4.18Å; L451-F453 PolarHBondContact O-N 3.37Å; F453-Y458 WeakPolarHBondContact CA-OH 3.43Å; F453-Y458 HydrophobicContact CB-CD2 4.44Å; F453-Y458 HydrophobicContact CB-CE2 3.77Å; F453-Y458 AromaticContact CD1-CD1 3.94Å; F453-Y458 HydrophobicContact CD1-CD1 3.94Å; F453-Y458 AromaticContact CD1-CD2 3.79Å; F453-Y458 HydrophobicContact CD1-CD2 3.79Å; F453-Y458 AromaticContact CD1-CE1 3.89Å; F453-Y458 HydrophobicContact CD1-CE1 3.89Å; F453-Y458 AromaticContact CD1-CE2 3.75Å; F453-Y458 HydrophobicContact CD1-CE2 3.75Å; F453-Y458 AromaticContact CD1-CG 3.89Å; F453-Y458 HydrophobicContact CD1-CG 3.89Å; F453-Y458 AromaticContact CD1-CZ 3.8Å; F453-Y458 HydrophobicContact CE1-CD1 4.33Å; F453-Y458 HydrophobicContact CE1-CG 4.4Å; F453-Y458 HydrophobicContact CG-CE2 4.26Å; F453-F464 HydrophobicContact CE1-CE1 4.43Å; F453-F464 HydrophobicContact CE1-CZ 4.5Å; F453-V468 HydrophobicContact CE1-CG2 4.08Å; F453-V468 HydrophobicContact CE2-CG1 4.43Å; F453-V468 HydrophobicContact CZ-CB 4.42Å; F453-V468 HydrophobicContact CZ-CG1 3.7Å; F453-V468 HydrophobicContact CZ-CG2 3.79Å; F453-N491 HydrophobicContact CB-CB 3.79Å; F453-N491 CarbonylContact O-C 3.52Å; F453-N491 VanDerWaalsContact O-CA 3.32Å; F453-N491 WeakPolarHBondContact O-CA 3.29Å; F453-N492 PolarHBondContact O-N 3.14Å; F453-L518 HydrophobicContact CD1-CD2 4.33Å; F453-L518 HydrophobicContact CE1-CD1 4.47Å; F453-L518 HydrophobicContact CE1-CD2 4.16Å; F453-Y519 HydrophobicContact CB-CE1 3.97Å; F453-Y519 WeakPolarHBondContact CB-OH 3.38Å; F453-Y519 HydrophobicContact CD1-CE1 4.24Å; F453-Y519 HydrophobicContact CD2-CE1 4.05Å; F453-Y519 AromaticContact CG-CE1 3.83Å; F453-Y519 HydrophobicContact CG-CE1 3.83Å; F453-I523 HydrophobicContact CD2-CD1 4.36Å; F453-I523 HydrophobicContact CE2-CD1 3.73Å; F453-I523 HydrophobicContact CZ-CD1 4.1Å
454	A	97.2	Very high	97.6	Very high	2 Å²	2	15.7 Å²	15.7	2%	0.017	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-154	133.9	-179.3	0	0	0	0	0	112.8	W233 W426 A456 Y458 N492	W233-A454 HydrophobicContact CH2-CB 4.26Å; W426-A454 HydrophobicContact CZ2-CB 3.92Å; A454-A456 PolarHBondContact O-N 2.89Å; A454-A456 VanDerWaalsContact O-N 3.09Å; A454-Y458 PolarHBondContact N-OH 3.38Å; A454-Y458 VanDerWaalsContact N-OH 3.08Å; A454-N492 WeakPolarHBondContact CA-O 3.32Å; A454-N492 HydrophobicContact CB-CB 3.75Å
455	V	94.8	Very high	97.6	Very high	8 Å²	8	17.3 Å²	17.3	5%	0.048	10%	0.095	C	C	.	.	S	Bend	trans	45	42.4	171.2	-156.6	0	0	0	0	114.4	W233 N492 E493 N494 W501 F502 F1493	W233-V455 HydrophobicContact CH2-CB 3.87Å; W233-V455 HydrophobicContact CH2-CG2 3.9Å; W233-V455 HydrophobicContact CZ2-CB 4.06Å; W233-V455 HydrophobicContact CZ2-CG2 3.67Å; V455-N492 VanDerWaalsContact CG2-ND2 3.28Å; V455-N492 WeakPolarHBondContact CG2-ND2 3.47Å; V455-N492 PolarHBondContact N-O 2.8Å; V455-N492 VanDerWaalsContact N-O 3.09Å; V455-E493 HydrophobicContact CG2-CB 4.4Å; V455-E493 WeakPolarHBondContact CG2-OE2 3.44Å; V455-N494 VanDerWaalsContact CA-OD1 3.27Å; V455-N494 WeakPolarHBondContact CA-OD1 3.29Å; V455-N494 PolarHBondContact N-OD1 2.74Å; V455-W501 HydrophobicContact CG1-CE3 3.9Å; V455-W501 HydrophobicContact CG1-CZ3 3.89Å; V455-F502 VanDerWaalsContact C-CZ 3.49Å; V455-F502 HydrophobicContact CG1-CE1 4.21Å; V455-F502 HydrophobicContact CG1-CZ 4.45Å; V455-F1493 HydrophobicContact CB-CD1 4.47Å; V455-F1493 HydrophobicContact CB-CD2 4.46Å; V455-F1493 HydrophobicContact CB-CG 4.42Å; V455-F1493 HydrophobicContact CG1-CB 3.7Å; V455-F1493 HydrophobicContact CG1-CD1 3.84Å; V455-F1493 HydrophobicContact CG1-CD2 3.63Å; V455-F1493 HydrophobicContact CG1-CE1 4.39Å; V455-F1493 HydrophobicContact CG1-CE2 4.2Å; V455-F1493 HydrophobicContact CG1-CG 3.44Å; V455-F1493 VanDerWaalsContact CG1-CG 3.44Å; V455-F1493 HydrophobicContact CG2-CD2 4.05Å; V455-F1493 HydrophobicContact CG2-CE1 4.27Å; V455-F1493 HydrophobicContact CG2-CE2 3.77Å; V455-F1493 HydrophobicContact CG2-CG 4.44Å; V455-F1493 HydrophobicContact CG2-CZ 3.9Å
456	A	95.5	Very high	97.5	Very high	5 Å²	5	22.2 Å²	22.2	4%	0.041	12%	0.118	C	C	.	.	S	Bend	trans	-155.4	149.7	175.4	0	0	0	0	0	110.7	N222 A454 Y458 N494	N222-A456 HydrophobicContact CB-CB 3.85Å; A454-A456 PolarHBondContact O-N 2.89Å; A454-A456 VanDerWaalsContact O-N 3.09Å; A456-Y458 HydrophobicContact CB-CD2 4.45Å; A456-Y458 HydrophobicContact CB-CE2 3.87Å; A456-Y458 WeakPolarHBondContact O-CD2 3.44Å; A456-Y458 WeakPolarHBondContact O-CE2 3.17Å; A456-N494 PolarHBondContact N-OD1 2.67Å; A456-N494 PolarHBondContact O-ND2 2.7Å; A456-N494 PolarHBondContact O-OD1 2.73Å; A456-N494 VanDerWaalsContact O-OD1 3.1Å
457	L	96.6	Very high	97.5	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.042	13%	0.126	C	C	.	.			trans	-76.9	156.8	155.8	-59.6	-176	0	0	0	109	I206 P207 N222 I498 F502 Y511	I206-L457 HydrophobicContact CG2-CB 3.68Å; I206-L457 WeakPolarHBondContact CG2-O 3.43Å; P207-L457 HydrophobicContact CG-CD1 3.96Å; P207-L457 HydrophobicContact CG-CG 4.46Å; P207-L457 PolarHBondContact O-N 3.39Å; N222-L457 WeakPolarHBondContact CB-O 3.24Å; N222-L457 PolarHBondContact ND2-O 2.03Å; L457-I498 HydrophobicContact CD2-CB 4.43Å; L457-I498 HydrophobicContact CD2-CD1 3.97Å; L457-I498 HydrophobicContact CD2-CG1 4.24Å; L457-F502 HydrophobicContact CD1-CB 4.1Å; L457-F502 HydrophobicContact CD1-CD2 4.13Å; L457-F502 HydrophobicContact CD1-CG 4.4Å; L457-F502 HydrophobicContact CD2-CD2 3.5Å; L457-F502 VanDerWaalsContact CD2-CD2 3.5Å; L457-F502 HydrophobicContact CD2-CE2 3.77Å; L457-F502 HydrophobicContact CD2-CG 4.46Å; L457-F502 HydrophobicContact CG-CB 4.23Å; L457-F502 HydrophobicContact CG-CD2 3.49Å; L457-F502 VanDerWaalsContact CG-CD2 3.49Å; L457-F502 HydrophobicContact CG-CE2 4.04Å; L457-F502 HydrophobicContact CG-CG 3.98Å; L457-Y511 HydrophobicContact CD1-CD1 3.37Å; L457-Y511 HydrophobicContact CD1-CD2 4.21Å; L457-Y511 HydrophobicContact CD1-CE1 4.07Å; L457-Y511 HydrophobicContact CD1-CG 3.45Å; L457-Y511 VanDerWaalsContact CD1-CG 3.45Å
458	Y	97.8	Very high	97.4	Very high	12 Å²	12	23.4 Å²	23.4	5%	0.047	13%	0.126	C	C	.	.			trans	-131.8	145.1	-176.2	-69.7	-92.7	0	0	0	109.8	N222 F453 A454 A456 F464 L518 Y519	N222-Y458 HydrophobicContact CB-CD1 3.98Å; N222-Y458 HydrophobicContact CB-CE1 3.94Å; N222-Y458 VanDerWaalsContact O-CD1 3.22Å; N222-Y458 WeakPolarHBondContact O-CD1 3.49Å; F453-Y458 WeakPolarHBondContact CA-OH 3.43Å; F453-Y458 HydrophobicContact CB-CD2 4.44Å; F453-Y458 HydrophobicContact CB-CE2 3.77Å; F453-Y458 AromaticContact CD1-CD1 3.94Å; F453-Y458 HydrophobicContact CD1-CD1 3.94Å; F453-Y458 AromaticContact CD1-CD2 3.79Å; F453-Y458 HydrophobicContact CD1-CD2 3.79Å; F453-Y458 AromaticContact CD1-CE1 3.89Å; F453-Y458 HydrophobicContact CD1-CE1 3.89Å; F453-Y458 AromaticContact CD1-CE2 3.75Å; F453-Y458 HydrophobicContact CD1-CE2 3.75Å; F453-Y458 AromaticContact CD1-CG 3.89Å; F453-Y458 HydrophobicContact CD1-CG 3.89Å; F453-Y458 AromaticContact CD1-CZ 3.8Å; F453-Y458 HydrophobicContact CE1-CD1 4.33Å; F453-Y458 HydrophobicContact CE1-CG 4.4Å; F453-Y458 HydrophobicContact CG-CE2 4.26Å; A454-Y458 PolarHBondContact N-OH 3.38Å; A454-Y458 VanDerWaalsContact N-OH 3.08Å; A456-Y458 HydrophobicContact CB-CD2 4.45Å; A456-Y458 HydrophobicContact CB-CE2 3.87Å; A456-Y458 WeakPolarHBondContact O-CD2 3.44Å; A456-Y458 WeakPolarHBondContact O-CE2 3.17Å; Y458-F464 HydrophobicContact CD1-CE1 4.45Å; Y458-F464 AromaticContact CD1-CZ 3.78Å; Y458-F464 HydrophobicContact CD1-CZ 3.78Å; Y458-F464 HydrophobicContact CG-CZ 4.36Å; Y458-L518 HydrophobicContact CD2-CD2 4.48Å; Y458-L518 HydrophobicContact CG-CD2 4.33Å; Y458-Y519 WeakPolarHBondContact CD2-OH 3.45Å
459	P	97.6	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.			trans	-70.3	136.2	-174.9	28.5	-35.5	0	0	0	112.2	Y198 I206 N222 F223 F464	Y198-P459 HydrophobicContact CD2-CB 3.62Å; Y198-P459 HydrophobicContact CE2-CB 3.34Å; Y198-P459 HydrophobicContact CG-CB 4.37Å; I206-P459 HydrophobicContact CG1-CB 4.25Å; N222-P459 WeakPolarHBondContact O-CD 3.27Å; F223-P459 HydrophobicContact CD1-CB 4.24Å; F223-P459 HydrophobicContact CD1-CG 3.78Å; F223-P459 HydrophobicContact CE1-CB 3.84Å; F223-P459 HydrophobicContact CE1-CG 3.88Å; P459-F464 HydrophobicContact CG-CB 4.4Å; P459-F464 HydrophobicContact CG-CD1 4.32Å; P459-F464 HydrophobicContact CG-CD2 3.77Å; P459-F464 HydrophobicContact CG-CE2 4.05Å; P459-F464 HydrophobicContact CG-CG 3.91Å; P459-F464 HydrophobicContact CG-CZ 4.44Å; P459-F464 WeakPolarHBondContact O-CD1 3.49Å; P459-F464 WeakPolarHBondContact O-CG 3.33Å
460	V	97.2	Very high	97.3	Very high	23 Å²	23	29.8 Å²	29.8	14%	0.139	16%	0.16	C	C	.	.			trans	-100.3	25.5	179.9	-63	0	0	0	0	113.9	Y198 L465 D514 T517	Y198-V460 PolarHBondContact OH-N 2.74Å; V460-L465 HydrophobicContact CB-CD1 4.29Å; V460-L465 HydrophobicContact CB-CD2 4.32Å; V460-L465 HydrophobicContact CB-CG 4.46Å; V460-L465 HydrophobicContact CG1-CD2 4.3Å; V460-L465 VanDerWaalsContact O-CD1 3.31Å; V460-L465 WeakPolarHBondContact O-CD1 3.46Å; V460-D514 HydrophobicContact CG1-CB 3.77Å; V460-D514 WeakPolarHBondContact CG1-O 3.16Å; V460-D514 HydrophobicContact CG2-CB 4Å; V460-D514 VanDerWaalsContact CG2-OD1 3.23Å; V460-D514 WeakPolarHBondContact CG2-OD1 3.35Å; V460-T517 HydrophobicContact CB-CG2 4.48Å; V460-T517 HydrophobicContact CG1-CG2 4.47Å
461	N	96.9	Very high	97.3	Very high	38 Å²	38	29.8 Å²	29.8	20%	0.203	16%	0.16	C	C	.	.			trans	-65.2	151.8	171.6	75	75.2	0	0	0	110.7	Y198 Y202 A463 F464 L465	Y198-N461 HydrophobicContact CD2-CB 4.26Å; Y198-N461 HydrophobicContact CE2-CB 3.97Å; Y202-N461 HydrophobicContact CE2-CB 3.89Å; Y202-N461 WeakPolarHBondContact OH-CA 3.44Å; Y202-N461 VanDerWaalsContact OH-CB 3.31Å; Y202-N461 WeakPolarHBondContact OH-CB 3.33Å; N461-A463 VanDerWaalsContact C-N 3.3Å; N461-A463 PolarHBondContact O-N 2.84Å; N461-A463 PolarHBondContact OD1-N 2.93Å; N461-A463 VanDerWaalsContact OD1-N 3.16Å; N461-F464 PolarHBondContact O-N 2.84Å; N461-F464 VanDerWaalsContact O-N 3.12Å; N461-F464 PolarHBondContact OD1-N 3.23Å; N461-L465 PolarHBondContact O-N 3.2Å
462	K	97	Very high	97.3	Very high	146 Å²	146	29.8 Å²	29.8	64%	0.635	16%	0.16	S	C	*	.	H	α-helix	trans	-53	-42.9	-173.9	179.9	177.7	171.7	-179.8	0	113.4	L465 E466	K462-L465 PolarHBondContact O-N 3.47Å; K462-E466 WeakPolarHBondContact CE-OE1 3.29Å; K462-E466 WeakPolarHBondContact CE-OE2 3.11Å; K462-E466 HydrophobicContact CG-CG 4.32Å; K462-E466 IonicContact NZ-OE1 3.8Å; K462-E466 PolarHBondContact NZ-OE1 3.24Å; K462-E466 WeakPolarHBondContact O-CB 3.17Å; K462-E466 WeakPolarHBondContact O-CG 3.46Å; K462-E466 PolarHBondContact O-N 3.12Å
463	A	95.6	Very high	97.2	Very high	66 Å²	66	31.3 Å²	31.3	55%	0.545	17%	0.173	S	C	.	.	H	α-helix	trans	-68.3	-38.1	-177	0	0	0	0	0	112.2	N461 S467	N461-A463 VanDerWaalsContact C-N 3.3Å; N461-A463 PolarHBondContact O-N 2.84Å; N461-A463 PolarHBondContact OD1-N 2.93Å; N461-A463 VanDerWaalsContact OD1-N 3.16Å; A463-S467 WeakPolarHBondContact O-CB 3.2Å; A463-S467 PolarHBondContact O-N 3.37Å
464	F	97.3	Very high	97	Very high	16 Å²	16	33.1 Å²	33.1	7%	0.07	18%	0.181	C	C	.	.	H	α-helix	trans	-66.5	-45.5	174.2	-169.6	-87.5	0	0	0	111.4	R225 F453 Y458 P459 N461 E466 S467 V468	R225-F464 VanDerWaalsContact CD-CZ 3.45Å; R225-F464 HydrophobicContact CG-CE2 4.09Å; R225-F464 HydrophobicContact CG-CZ 4.33Å; F453-F464 HydrophobicContact CE1-CE1 4.43Å; F453-F464 HydrophobicContact CE1-CZ 4.5Å; Y458-F464 HydrophobicContact CD1-CE1 4.45Å; Y458-F464 AromaticContact CD1-CZ 3.78Å; Y458-F464 HydrophobicContact CD1-CZ 3.78Å; Y458-F464 HydrophobicContact CG-CZ 4.36Å; P459-F464 HydrophobicContact CG-CB 4.4Å; P459-F464 HydrophobicContact CG-CD1 4.32Å; P459-F464 HydrophobicContact CG-CD2 3.77Å; P459-F464 HydrophobicContact CG-CE2 4.05Å; P459-F464 HydrophobicContact CG-CG 3.91Å; P459-F464 HydrophobicContact CG-CZ 4.44Å; P459-F464 WeakPolarHBondContact O-CD1 3.49Å; P459-F464 WeakPolarHBondContact O-CG 3.33Å; N461-F464 PolarHBondContact O-N 2.84Å; N461-F464 VanDerWaalsContact O-N 3.12Å; N461-F464 PolarHBondContact OD1-N 3.23Å; F464-E466 PolarHBondContact O-N 3.49Å; F464-S467 WeakPolarHBondContact O-CB 3.22Å; F464-S467 PolarHBondContact O-N 3.08Å; F464-V468 HydrophobicContact CD1-CG2 3.88Å; F464-V468 HydrophobicContact CE1-CG2 3.56Å; F464-V468 HydrophobicContact CZ-CG2 4.13Å; F464-V468 WeakPolarHBondContact O-CG2 3.31Å; F464-V468 PolarHBondContact O-N 3.07Å
465	L	98.2	Very high	96.9	Very high	35 Å²	35	33.2 Å²	33.2	18%	0.183	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-40.3	176.3	-65.5	179.7	0	0	0	112.5	V460 N461 K462 V468 G469 T517 L518 L522	V460-L465 HydrophobicContact CB-CD1 4.29Å; V460-L465 HydrophobicContact CB-CD2 4.32Å; V460-L465 HydrophobicContact CB-CG 4.46Å; V460-L465 HydrophobicContact CG1-CD2 4.3Å; V460-L465 VanDerWaalsContact O-CD1 3.31Å; V460-L465 WeakPolarHBondContact O-CD1 3.46Å; N461-L465 PolarHBondContact O-N 3.2Å; K462-L465 PolarHBondContact O-N 3.47Å; L465-V468 PolarHBondContact O-N 2.85Å; L465-G469 PolarHBondContact O-N 2.88Å; L465-T517 HydrophobicContact CD1-CG2 4.07Å; L465-L518 HydrophobicContact CD2-CD1 4.11Å; L465-L522 HydrophobicContact CB-CD2 4.17Å; L465-L522 HydrophobicContact CD2-CD2 3.91Å; L465-L522 WeakPolarHBondContact O-CD2 3.45Å
466	E	97.8	Very high	97	Very high	102 Å²	102	32.9 Å²	32.9	48%	0.477	18%	0.179	S	C	.	.	H	α-helix	trans	-66.7	-34.8	175.2	-75.5	179.1	154	0	0	112.4	K462 F464 Q470	K462-E466 WeakPolarHBondContact CE-OE1 3.29Å; K462-E466 WeakPolarHBondContact CE-OE2 3.11Å; K462-E466 HydrophobicContact CG-CG 4.32Å; K462-E466 IonicContact NZ-OE1 3.8Å; K462-E466 PolarHBondContact NZ-OE1 3.24Å; K462-E466 WeakPolarHBondContact O-CB 3.17Å; K462-E466 WeakPolarHBondContact O-CG 3.46Å; K462-E466 PolarHBondContact O-N 3.12Å; F464-E466 PolarHBondContact O-N 3.49Å; E466-Q470 WeakPolarHBondContact O-CG 3.26Å; E466-Q470 PolarHBondContact O-N 2.8Å; E466-Q470 PolarHBondContact O-NE2 2.93Å
467	S	97.5	Very high	96.9	Very high	25 Å²	25	33.2 Å²	33.2	18%	0.175	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-47	174.1	-176.6	0	0	0	0	112.1	N160 A463 F464 Q470 E471	N160-S467 PolarHBondContact ND2-OG 3.08Å; N160-S467 VanDerWaalsContact ND2-OG 3.14Å; A463-S467 WeakPolarHBondContact O-CB 3.2Å; A463-S467 PolarHBondContact O-N 3.37Å; F464-S467 WeakPolarHBondContact O-CB 3.22Å; F464-S467 PolarHBondContact O-N 3.08Å; S467-Q470 PolarHBondContact O-N 3.04Å; S467-E471 WeakPolarHBondContact O-CB 3.41Å; S467-E471 PolarHBondContact O-N 2.79Å
468	V	98.2	Very high	96.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-41.6	175.5	169.3	0	0	0	0	111.7	R225 F453 F464 L465 Q470 E471 V472 L518 L522 I523	R225-V468 HydrophobicContact CG-CG2 4.37Å; F453-V468 HydrophobicContact CE1-CG2 4.08Å; F453-V468 HydrophobicContact CE2-CG1 4.43Å; F453-V468 HydrophobicContact CZ-CB 4.42Å; F453-V468 HydrophobicContact CZ-CG1 3.7Å; F453-V468 HydrophobicContact CZ-CG2 3.79Å; F464-V468 HydrophobicContact CD1-CG2 3.88Å; F464-V468 HydrophobicContact CE1-CG2 3.56Å; F464-V468 HydrophobicContact CZ-CG2 4.13Å; F464-V468 WeakPolarHBondContact O-CG2 3.31Å; F464-V468 PolarHBondContact O-N 3.07Å; L465-V468 PolarHBondContact O-N 2.85Å; V468-Q470 VanDerWaalsContact C-N 3.3Å; V468-Q470 PolarHBondContact O-N 2.75Å; V468-E471 WeakPolarHBondContact O-CB 3.29Å; V468-E471 PolarHBondContact O-N 2.7Å; V468-V472 HydrophobicContact CG1-CG2 4.11Å; V468-V472 WeakPolarHBondContact O-CG2 3.35Å; V468-V472 PolarHBondContact O-N 3.28Å; V468-L518 HydrophobicContact CB-CD1 4.48Å; V468-L518 HydrophobicContact CG1-CD1 3.93Å; V468-L518 HydrophobicContact CG2-CD1 4.45Å; V468-L522 HydrophobicContact CB-CD2 4.1Å; V468-L522 HydrophobicContact CG1-CD2 3.87Å; V468-I523 HydrophobicContact CG1-CD1 4.09Å; V468-I523 HydrophobicContact CG1-CG1 4.14Å
469	G	98.1	Very high	96.7	Very high	14 Å²	14	34.2 Å²	34.2	14%	0.144	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-38.9	179.1	0	0	0	0	0	112.7	L465 A473	L465-G469 PolarHBondContact O-N 2.88Å; G469-A473 WeakPolarHBondContact O-CB 3.1Å; G469-A473 PolarHBondContact O-N 3.2Å
470	Q	96.8	Very high	96.7	Very high	120 Å²	120	34.3 Å²	34.3	56%	0.561	19%	0.187	S	C	*	.	H	α-helix	trans	-68.1	-46.2	172.3	-72.6	171	55.7	0	0	111.8	L163 E466 S467 V468 A473 F474	L163-Q470 HydrophobicContact CD1-CB 3.82Å; L163-Q470 HydrophobicContact CD2-CB 4.23Å; E466-Q470 WeakPolarHBondContact O-CG 3.26Å; E466-Q470 PolarHBondContact O-N 2.8Å; E466-Q470 PolarHBondContact O-NE2 2.93Å; S467-Q470 PolarHBondContact O-N 3.04Å; V468-Q470 VanDerWaalsContact C-N 3.3Å; V468-Q470 PolarHBondContact O-N 2.75Å; Q470-A473 PolarHBondContact O-N 2.89Å; Q470-F474 VanDerWaalsContact O-CB 3.29Å; Q470-F474 WeakPolarHBondContact O-CB 3.39Å; Q470-F474 PolarHBondContact O-N 3.2Å
471	E	97.8	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.5	-53.7	179.5	176.8	-173.1	142.1	0	0	112.3	N160 H162 L163 R225 Y431 S467 V468 F474 Q475	N160-E471 PolarHBondContact ND2-OE2 2.89Å; N160-E471 PolarHBondContact OD1-OE2 2.81Å; H162-E471 HydrophobicContact CB-CG 3.79Å; H162-E471 IonicContact CD2-OE1 3.14Å; H162-E471 IonicContact CD2-OE2 2.93Å; L163-E471 HydrophobicContact CG-CB 4.32Å; R225-E471 IonicContact CZ-OE1 3.06Å; R225-E471 IonicContact CZ-OE2 2.63Å; R225-E471 IonicContact NE-OE1 3.17Å; R225-E471 IonicContact NE-OE2 3.41Å; R225-E471 PolarHBondContact NE-OE2 3.32Å; R225-E471 IonicContact NH2-OE1 3.28Å; R225-E471 PolarHBondContact NH2-OE1 3.12Å; R225-E471 IonicContact NH2-OE2 2.64Å; R225-E471 PolarHBondContact NH2-OE2 3.18Å; Y431-E471 HydrophobicContact CE2-CG 4.14Å; Y431-E471 VanDerWaalsContact CE2-OE1 3.23Å; Y431-E471 WeakPolarHBondContact CE2-OE1 3.12Å; Y431-E471 PolarHBondContact OH-OE1 2.89Å; S467-E471 WeakPolarHBondContact O-CB 3.41Å; S467-E471 PolarHBondContact O-N 2.79Å; V468-E471 WeakPolarHBondContact O-CB 3.29Å; V468-E471 PolarHBondContact O-N 2.7Å; E471-F474 PolarHBondContact O-N 2.88Å; E471-Q475 WeakPolarHBondContact O-CB 3.27Å; E471-Q475 WeakPolarHBondContact O-CG 3.44Å; E471-Q475 PolarHBondContact O-N 3.16Å
472	V	98	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.8	-39.6	-174.3	174.7	0	0	0	0	110.4	L451 V468 F474 L476 I523 I526	L451-V472 HydrophobicContact CD1-CG1 3.85Å; L451-V472 HydrophobicContact CD1-CG2 3.96Å; V468-V472 HydrophobicContact CG1-CG2 4.11Å; V468-V472 WeakPolarHBondContact O-CG2 3.35Å; V468-V472 PolarHBondContact O-N 3.28Å; V472-F474 PolarHBondContact O-N 2.73Å; V472-L476 HydrophobicContact CG1-CD1 3.64Å; V472-L476 HydrophobicContact CG1-CG 4.19Å; V472-L476 VanDerWaalsContact O-CB 3.27Å; V472-L476 WeakPolarHBondContact O-CB 3.14Å; V472-L476 WeakPolarHBondContact O-CD1 3.36Å; V472-L476 WeakPolarHBondContact O-CG 3.33Å; V472-L476 PolarHBondContact O-N 3.02Å; V472-I523 HydrophobicContact CG2-CG1 4.26Å; V472-I526 HydrophobicContact CB-CG2 4.49Å; V472-I526 HydrophobicContact CG1-CB 4.4Å; V472-I526 HydrophobicContact CG1-CG2 3.99Å
473	A	95.8	Very high	96.7	Very high	38 Å²	38	25.8 Å²	25.8	31%	0.314	15%	0.147	S	C	.	.	H	α-helix	trans	-61.1	-42.9	173.5	0	0	0	0	0	112.4	G469 Q470 G477 I526	G469-A473 WeakPolarHBondContact O-CB 3.1Å; G469-A473 PolarHBondContact O-N 3.2Å; Q470-A473 PolarHBondContact O-N 2.89Å; A473-G477 PolarHBondContact O-N 3.04Å; A473-I526 HydrophobicContact CB-CG2 3.99Å
474	F	94.5	Very high	96.8	Very high	37 Å²	37	22.6 Å²	22.6	16%	0.162	12%	0.121	C	C	.	.	H	α-helix	trans	-67.5	-46.7	178.5	174.3	-109.9	0	0	0	112.6	H162 L163 S164 Q470 E471 V472 G477 R478	H162-F474 WeakPolarHBondContact O-CD1 3.48Å; L163-F474 HydrophobicContact CD2-CB 3.77Å; L163-F474 HydrophobicContact CD2-CD1 3.96Å; L163-F474 HydrophobicContact CD2-CG 4Å; S164-F474 WeakPolarHBondContact OG-CE2 3Å; S164-F474 WeakPolarHBondContact OG-CZ 3.46Å; Q470-F474 VanDerWaalsContact O-CB 3.29Å; Q470-F474 WeakPolarHBondContact O-CB 3.39Å; Q470-F474 PolarHBondContact O-N 3.2Å; E471-F474 PolarHBondContact O-N 2.88Å; V472-F474 PolarHBondContact O-N 2.73Å; F474-G477 PolarHBondContact O-N 3.26Å; F474-R478 PolarHBondContact O-N 2.86Å
475	Q	96.8	Very high	96.9	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.023	12%	0.117	C	C	.	.	H	α-helix	trans	-69.2	-39.6	-179.1	-69.1	-66.1	-18.5	0	0	112.2	H162 Y431 E471 R478 L479	H162-Q475 PolarHBondContact O-NE2 2.8Å; Y431-Q475 HydrophobicContact CD1-CB 4.19Å; Y431-Q475 HydrophobicContact CD1-CG 4.1Å; Y431-Q475 HydrophobicContact CD2-CG 3.72Å; Y431-Q475 HydrophobicContact CE1-CB 4.14Å; Y431-Q475 HydrophobicContact CE1-CG 4.16Å; Y431-Q475 HydrophobicContact CE2-CG 3.79Å; Y431-Q475 HydrophobicContact CG-CB 4.44Å; Y431-Q475 HydrophobicContact CG-CG 3.88Å; E471-Q475 WeakPolarHBondContact O-CB 3.27Å; E471-Q475 WeakPolarHBondContact O-CG 3.44Å; E471-Q475 PolarHBondContact O-N 3.16Å; Q475-R478 PolarHBondContact O-N 2.69Å; Q475-L479 VanDerWaalsContact O-CB 3.25Å; Q475-L479 WeakPolarHBondContact O-CB 3.37Å; Q475-L479 WeakPolarHBondContact O-CG 3.27Å; Q475-L479 PolarHBondContact O-N 2.9Å
476	L	96.2	Very high	96.9	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-63.9	-41.1	171	-67.7	169	0	0	0	111.5	V472 R478 L479 K480 W488 I526 V527 V530	V472-L476 HydrophobicContact CG1-CD1 3.64Å; V472-L476 HydrophobicContact CG1-CG 4.19Å; V472-L476 VanDerWaalsContact O-CB 3.27Å; V472-L476 WeakPolarHBondContact O-CB 3.14Å; V472-L476 WeakPolarHBondContact O-CD1 3.36Å; V472-L476 WeakPolarHBondContact O-CG 3.33Å; V472-L476 PolarHBondContact O-N 3.02Å; L476-R478 VanDerWaalsContact C-N 3.35Å; L476-R478 PolarHBondContact O-N 3.05Å; L476-L479 PolarHBondContact O-N 2.74Å; L476-K480 WeakPolarHBondContact O-CB 3.5Å; L476-K480 VanDerWaalsContact O-CG 3.26Å; L476-K480 WeakPolarHBondContact O-CG 3.36Å; L476-K480 PolarHBondContact O-N 3.3Å; L476-W488 HydrophobicContact CD2-CD2 3.5Å; L476-W488 VanDerWaalsContact CD2-CD2 3.5Å; L476-W488 VanDerWaalsContact CD2-CE2 3.43Å; L476-W488 HydrophobicContact CD2-CE3 3.62Å; L476-W488 HydrophobicContact CD2-CG 4.18Å; L476-W488 HydrophobicContact CD2-CH2 3.72Å; L476-W488 HydrophobicContact CD2-CZ2 3.58Å; L476-W488 HydrophobicContact CD2-CZ3 3.72Å; L476-I526 HydrophobicContact CD1-CG2 3.99Å; L476-V527 HydrophobicContact CD1-CB 4.35Å; L476-V527 HydrophobicContact CD1-CG2 3.85Å; L476-V527 HydrophobicContact CD2-CG2 4.45Å; L476-V530 HydrophobicContact CB-CB 4.17Å; L476-V530 HydrophobicContact CB-CG1 3.63Å; L476-V530 HydrophobicContact CD1-CB 4.2Å
477	G	93.2	Very high	96.9	Very high	12 Å²	12	15.3 Å²	15.3	12%	0.124	9%	0.086	C	C	.	.	H	α-helix	trans	-57.9	-44.6	175.6	0	0	0	0	0	112.7	S262 A473 F474	S262-G477 WeakPolarHBondContact CB-O 3.48Å; A473-G477 PolarHBondContact O-N 3.04Å; F474-G477 PolarHBondContact O-N 3.26Å
478	R	94.3	Very high	96.9	Very high	39 Å²	39	14.2 Å²	14.2	15%	0.147	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-54.9	171.7	-178.8	175.2	76.1	111.4	-6.4	111.6	E432 D434 F474 Q475 L476 H481	E432-R478 PolarHBondContact O-NH1 3Å; E432-R478 PolarHBondContact O-NH2 2.92Å; D434-R478 WeakPolarHBondContact OD1-CD 3.38Å; D434-R478 IonicContact OD1-CZ 2.86Å; D434-R478 IonicContact OD1-NE 3.94Å; D434-R478 IonicContact OD1-NH1 2.69Å; D434-R478 PolarHBondContact OD1-NH1 3.4Å; D434-R478 IonicContact OD2-NH1 3.84Å; F474-R478 PolarHBondContact O-N 2.86Å; Q475-R478 PolarHBondContact O-N 2.69Å; L476-R478 VanDerWaalsContact C-N 3.35Å; L476-R478 PolarHBondContact O-N 3.05Å; R478-H481 PolarHBondContact O-CE1 3.49Å; R478-H481 VanDerWaalsContact O-CE1 3.3Å; R478-H481 PolarHBondContact O-ND1 2.89Å
479	L	96.8	Very high	96.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-91	-20.3	-159.6	-68.5	177.1	0	0	0	115.6	Y437 Q475 L476 H481 H482 I485 W488	Y437-L479 HydrophobicContact CD1-CD2 4.31Å; Y437-L479 HydrophobicContact CD2-CD2 3.47Å; Y437-L479 VanDerWaalsContact CD2-CD2 3.47Å; Y437-L479 HydrophobicContact CE1-CD1 4.5Å; Y437-L479 HydrophobicContact CE1-CD2 4.24Å; Y437-L479 HydrophobicContact CE2-CD1 4.24Å; Y437-L479 HydrophobicContact CE2-CD2 3.39Å; Y437-L479 HydrophobicContact CE2-CG 4.47Å; Y437-L479 HydrophobicContact CG-CD2 3.95Å; Q475-L479 VanDerWaalsContact O-CB 3.25Å; Q475-L479 WeakPolarHBondContact O-CB 3.37Å; Q475-L479 WeakPolarHBondContact O-CG 3.27Å; Q475-L479 PolarHBondContact O-N 2.9Å; L476-L479 PolarHBondContact O-N 2.74Å; L479-H481 PolarHBondContact O-N 2.68Å; L479-H482 PolarHBondContact O-CD2 2.98Å; L479-H482 VanDerWaalsContact O-CD2 3.28Å; L479-H482 PolarHBondContact O-N 3.34Å; L479-H482 VanDerWaalsContact O-N 3.12Å; L479-I485 HydrophobicContact CB-CD1 3.71Å; L479-I485 HydrophobicContact CD1-CD1 4.26Å; L479-I485 HydrophobicContact CD2-CD1 4.32Å; L479-I485 HydrophobicContact CG-CD1 4.33Å; L479-W488 HydrophobicContact CB-CH2 3.82Å
480	K	95.9	Very high	97	Very high	3 Å²	3	13.6 Å²	13.6	1%	0.013	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-7.9	-173.5	70.6	-175.8	-178.7	-178.1	0	116.3	S262 L264 L476 W488 V530 R535	S262-K480 VanDerWaalsContact OG-CE 3.23Å; S262-K480 WeakPolarHBondContact OG-CE 3.3Å; L264-K480 HydrophobicContact CD1-CB 4.46Å; L264-K480 WeakPolarHBondContact CD1-O 3.4Å; L476-K480 WeakPolarHBondContact O-CB 3.5Å; L476-K480 VanDerWaalsContact O-CG 3.26Å; L476-K480 WeakPolarHBondContact O-CG 3.36Å; L476-K480 PolarHBondContact O-N 3.3Å; K480-W488 HydrophobicContact CB-CZ2 4.46Å; K480-V530 HydrophobicContact CD-CG1 4.15Å; K480-V530 VanDerWaalsContact CD-O 3.29Å; K480-V530 WeakPolarHBondContact CD-O 3.34Å; K480-V530 PolarHBondContact NZ-O 2.81Å; K480-R535 VanDerWaalsContact O-CZ 3.3Å; K480-R535 PolarHBondContact O-NH1 2.8Å; K480-R535 PolarHBondContact O-NH2 3.3Å
481	H	95.6	Very high	97	Very high	23 Å²	23	7.9 Å²	7.9	11%	0.106	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-20.9	177.6	77	-82.3	0	0	0	113.2	V263 I357 H358 R478 L479 P483	V263-H481 WeakPolarHBondContact O-CA 3.32Å; V263-H481 VanDerWaalsContact O-CB 3.27Å; V263-H481 WeakPolarHBondContact O-CB 3.31Å; I357-H481 HydrophobicContact CD1-CB 4.08Å; H358-H481 PolarHBondContact O-CD2 2.87Å; R478-H481 PolarHBondContact O-CE1 3.49Å; R478-H481 VanDerWaalsContact O-CE1 3.3Å; R478-H481 PolarHBondContact O-ND1 2.89Å; L479-H481 PolarHBondContact O-N 2.68Å; H481-P483 WeakPolarHBondContact O-CD 3.44Å
482	H	98	Very high	97	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.009	4%	0.044	C	C	.	.			trans	-71	121.1	179.8	-64.8	-63.4	0	0	0	112	D441 L479 S484 I485 R535	D441-H482 IonicContact OD2-CE1 2.68Å; D441-H482 IonicContact OD2-CG 3.81Å; D441-H482 IonicContact OD2-ND1 2.75Å; D441-H482 PolarHBondContact OD2-ND1 2.65Å; L479-H482 PolarHBondContact O-CD2 2.98Å; L479-H482 VanDerWaalsContact O-CD2 3.28Å; L479-H482 PolarHBondContact O-N 3.34Å; L479-H482 VanDerWaalsContact O-N 3.12Å; H482-S484 VanDerWaalsContact C-N 3.28Å; H482-S484 PolarHBondContact O-N 2.85Å; H482-I485 HydrophobicContact CB-CD1 4.34Å; H482-I485 HydrophobicContact CB-CG1 4.44Å; H482-R535 PolarHBondContact O-NH2 3.09Å
483	P	98.1	Very high	97	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.013	5%	0.046	C	C	.	.	S	Bend	trans	-67.3	-22.5	172.9	28.2	-38.5	0	0	0	114.1	W329 L339 R362 D441 H481	W329-P483 HydrophobicContact CB-CB 4.41Å; W329-P483 HydrophobicContact CD2-CB 3.69Å; W329-P483 HydrophobicContact CD2-CG 4.05Å; W329-P483 HydrophobicContact CE3-CB 4.02Å; W329-P483 HydrophobicContact CG-CB 3.89Å; W329-P483 HydrophobicContact CG-CG 4.04Å; W329-P483 HydrophobicContact CZ2-CB 4.39Å; W329-P483 HydrophobicContact CZ2-CG 4.39Å; L339-P483 HydrophobicContact CD2-CG 3.67Å; R362-P483 HydrophobicContact CG-CB 4.09Å; R362-P483 VanDerWaalsContact CZ-O 3.22Å; R362-P483 PolarHBondContact NE-O 2.92Å; R362-P483 PolarHBondContact NH2-O 3.38Å; D441-P483 HydrophobicContact CB-CG 4.24Å; D441-P483 VanDerWaalsContact CG-CD 3.47Å; D441-P483 WeakPolarHBondContact OD1-CD 3.4Å; D441-P483 WeakPolarHBondContact OD1-CG 3.46Å; H481-P483 WeakPolarHBondContact O-CD 3.44Å
484	S	98.5	Very high	97	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-59.1	-50	175.6	51.1	0	0	0	0	112.7	D441 I445 L446 I447 H482 F486	D441-S484 WeakPolarHBondContact OD1-CB 3.28Å; D441-S484 PolarHBondContact OD1-N 2.67Å; D441-S484 PolarHBondContact OD1-OG 3.01Å; I445-S484 WeakPolarHBondContact O-CB 3.45Å; L446-S484 CarbonylContact C-O 3.55Å; L446-S484 WeakPolarHBondContact CA-O 3.41Å; I447-S484 PolarHBondContact N-O 2.74Å; H482-S484 VanDerWaalsContact C-N 3.28Å; H482-S484 PolarHBondContact O-N 2.85Å; S484-F486 PolarHBondContact O-N 2.77Å; S484-F486 VanDerWaalsContact O-N 3.09Å
485	I	98.6	Very high	97.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	111.7	-179.2	-58.5	170.2	0	0	0	109.6	R362 Y437 I447 Q449 L479 H482 W488 R535	R362-I485 PolarHBondContact NH2-O 3.24Å; Y437-I485 HydrophobicContact CD1-CD1 3.76Å; Y437-I485 HydrophobicContact CD1-CG1 3.94Å; Y437-I485 HydrophobicContact CE1-CD1 3.73Å; Y437-I485 HydrophobicContact CE1-CG1 4.05Å; I447-I485 HydrophobicContact CB-CG1 4Å; I447-I485 HydrophobicContact CG2-CG1 4.14Å; I447-I485 VanDerWaalsContact O-CA 3.31Å; I447-I485 WeakPolarHBondContact O-CA 3.31Å; Q449-I485 HydrophobicContact CB-CG2 3.83Å; L479-I485 HydrophobicContact CB-CD1 3.71Å; L479-I485 HydrophobicContact CD1-CD1 4.26Å; L479-I485 HydrophobicContact CD2-CD1 4.32Å; L479-I485 HydrophobicContact CG-CD1 4.33Å; H482-I485 HydrophobicContact CB-CD1 4.34Å; H482-I485 HydrophobicContact CB-CG1 4.44Å; I485-W488 HydrophobicContact CD1-CH2 3.97Å; I485-W488 HydrophobicContact CD1-CZ3 4.37Å; I485-W488 HydrophobicContact CG2-CD2 4.36Å; I485-W488 HydrophobicContact CG2-CE3 4.19Å; I485-W488 HydrophobicContact CG2-CH2 3.82Å; I485-W488 HydrophobicContact CG2-CZ2 4.01Å; I485-W488 HydrophobicContact CG2-CZ3 3.94Å; I485-R535 WeakPolarHBondContact O-CD 3.34Å; I485-R535 PolarHBondContact O-NE 3.02Å
486	F	98.1	Very high	96.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-26	-172.9	74.6	-81.4	0	0	0	113.9	V364 F379 L388 L446 I447 W448 S484 P536	V364-F486 HydrophobicContact CG1-CB 4.22Å; V364-F486 HydrophobicContact CG1-CD2 4.43Å; V364-F486 HydrophobicContact CG2-CB 4.06Å; F379-F486 HydrophobicContact CB-CD2 4.46Å; F379-F486 HydrophobicContact CB-CE2 4.36Å; F379-F486 AromaticContact CD1-CD2 3.62Å; F379-F486 HydrophobicContact CD1-CD2 3.62Å; F379-F486 AromaticContact CD1-CE2 3.63Å; F379-F486 HydrophobicContact CD1-CE2 3.63Å; F379-F486 AromaticContact CD2-CE2 3.75Å; F379-F486 HydrophobicContact CD2-CE2 3.75Å; F379-F486 AromaticContact CE1-CD2 3.88Å; F379-F486 HydrophobicContact CE1-CD2 3.88Å; F379-F486 AromaticContact CE1-CE2 3.7Å; F379-F486 HydrophobicContact CE1-CE2 3.7Å; F379-F486 AromaticContact CE2-CE2 3.83Å; F379-F486 HydrophobicContact CE2-CE2 3.83Å; F379-F486 AromaticContact CG-CD2 3.96Å; F379-F486 HydrophobicContact CG-CD2 3.96Å; F379-F486 AromaticContact CG-CE2 3.64Å; F379-F486 HydrophobicContact CG-CE2 3.64Å; F379-F486 HydrophobicContact CZ-CD2 4.44Å; F379-F486 AromaticContact CZ-CE2 3.8Å; F379-F486 HydrophobicContact CZ-CE2 3.8Å; L388-F486 HydrophobicContact CD1-CE2 3.95Å; L388-F486 HydrophobicContact CD1-CZ 3.65Å; L388-F486 HydrophobicContact CD2-CE2 4.36Å; L388-F486 HydrophobicContact CD2-CZ 4.13Å; L446-F486 HydrophobicContact CB-CD1 3.58Å; L446-F486 HydrophobicContact CB-CE1 3.81Å; L446-F486 HydrophobicContact CB-CG 4.4Å; L446-F486 HydrophobicContact CD2-CB 4.14Å; L446-F486 HydrophobicContact CD2-CD1 4.32Å; L446-F486 HydrophobicContact CD2-CG 4.39Å; L446-F486 HydrophobicContact CG-CD1 4.39Å; I447-F486 VanDerWaalsContact C-CD1 3.43Å; I447-F486 VanDerWaalsContact C-CE1 3.46Å; I447-F486 WeakPolarHBondContact O-CD1 3.43Å; I447-F486 PolarHBondContact O-N 2.81Å; W448-F486 HydrophobicContact CB-CE1 3.84Å; W448-F486 HydrophobicContact CB-CZ 4Å; W448-F486 HydrophobicContact CE3-CZ 4.14Å; W448-F486 VanDerWaalsContact N-CE1 3.34Å; S484-F486 PolarHBondContact O-N 2.77Å; S484-F486 VanDerWaalsContact O-N 3.09Å; F486-P536 WeakPolarHBondContact O-CD 3.42Å
487	V	98.3	Very high	96.7	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.1	178	60.9	0	0	0	0	110.2	F379 W448 Q449 P536 V538	F379-V487 HydrophobicContact CE1-CB 3.85Å; F379-V487 HydrophobicContact CE1-CG1 4.41Å; F379-V487 HydrophobicContact CE1-CG2 4.05Å; F379-V487 HydrophobicContact CZ-CB 4.08Å; F379-V487 HydrophobicContact CZ-CG1 4.26Å; F379-V487 HydrophobicContact CZ-CG2 4.07Å; W448-V487 HydrophobicContact CB-CG1 3.82Å; W448-V487 HydrophobicContact CD2-CG1 3.67Å; W448-V487 HydrophobicContact CE3-CG1 3.94Å; W448-V487 HydrophobicContact CG-CG1 3.61Å; Q449-V487 PolarHBondContact N-O 2.72Å; Q449-V487 VanDerWaalsContact N-O 3.13Å; V487-P536 HydrophobicContact CG2-CB 4.28Å; V487-V538 HydrophobicContact CG2-CG1 4.38Å; V487-V538 HydrophobicContact CG2-CG2 4.36Å
488	W	98.4	Very high	96.6	Very high	2 Å²	2	4.8 Å²	4.8	1%	0.008	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.8	168.8	-59.8	112.4	0	0	0	109.3	Q449 L476 L479 K480 I485 V527 D531 P536 F537 V538	Q449-W488 HydrophobicContact CB-CE3 3.99Å; Q449-W488 HydrophobicContact CB-CZ3 4.02Å; Q449-W488 HydrophobicContact CG-CE3 4Å; Q449-W488 HydrophobicContact CG-CZ3 3.71Å; L476-W488 HydrophobicContact CD2-CD2 3.5Å; L476-W488 VanDerWaalsContact CD2-CD2 3.5Å; L476-W488 VanDerWaalsContact CD2-CE2 3.43Å; L476-W488 HydrophobicContact CD2-CE3 3.62Å; L476-W488 HydrophobicContact CD2-CG 4.18Å; L476-W488 HydrophobicContact CD2-CH2 3.72Å; L476-W488 HydrophobicContact CD2-CZ2 3.58Å; L476-W488 HydrophobicContact CD2-CZ3 3.72Å; L479-W488 HydrophobicContact CB-CH2 3.82Å; K480-W488 HydrophobicContact CB-CZ2 4.46Å; I485-W488 HydrophobicContact CD1-CH2 3.97Å; I485-W488 HydrophobicContact CD1-CZ3 4.37Å; I485-W488 HydrophobicContact CG2-CD2 4.36Å; I485-W488 HydrophobicContact CG2-CE3 4.19Å; I485-W488 HydrophobicContact CG2-CH2 3.82Å; I485-W488 HydrophobicContact CG2-CZ2 4.01Å; I485-W488 HydrophobicContact CG2-CZ3 3.94Å; W488-V527 HydrophobicContact CB-CG1 4.22Å; W488-V527 HydrophobicContact CG-CG1 4.16Å; W488-D531 PolarHBondContact NE1-OD1 2.85Å; W488-P536 PolarHBondContact N-O 3.05Å; W488-P536 VanDerWaalsContact N-O 3.09Å; W488-F537 HydrophobicContact CB-CD2 3.97Å; W488-F537 CarbonylContact O-C 3.52Å; W488-F537 VanDerWaalsContact O-CA 3.27Å; W488-F537 WeakPolarHBondContact O-CA 3.33Å; W488-F537 WeakPolarHBondContact O-CD2 3.48Å; W488-V538 PolarHBondContact O-N 2.76Å
489	S	98.1	Very high	96	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134	177	157.3	0	0	0	0	109.6	W448 Q449 D450 L451 N491	W448-S489 VanDerWaalsContact NE1-CB 3.32Å; Q449-S489 PolarHBondContact O-N 3.25Å; D450-S489 CarbonylContact C-O 3.54Å; D450-S489 WeakPolarHBondContact CA-O 3.39Å; D450-S489 WeakPolarHBondContact OD1-CB 3.44Å; D450-S489 PolarHBondContact OD1-OG 3.23Å; L451-S489 PolarHBondContact N-O 3.47Å; S489-N491 PolarHBondContact OG-O 3.07Å
490	A	98.3	Very high	95.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-76.5	-26.9	-171.5	0	0	0	0	0	114	Y519 I523 F537 V538 L539	A490-Y519 HydrophobicContact CB-CD1 3.77Å; A490-Y519 HydrophobicContact CB-CG 4.26Å; A490-Y519 WeakPolarHBondContact O-CE1 3.31Å; A490-I523 HydrophobicContact CB-CG2 4.24Å; A490-F537 HydrophobicContact CB-CE2 3.77Å; A490-F537 HydrophobicContact CB-CZ 3.72Å; A490-V538 PolarHBondContact N-O 3Å; A490-L539 WeakPolarHBondContact CB-O 3.48Å
491	N	98.2	Very high	94.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.			trans	-168.4	166.7	179.4	61.6	78.8	0	0	0	112	F453 S489 N494 Y519 L539 S540 S541	F453-N491 HydrophobicContact CB-CB 3.79Å; F453-N491 CarbonylContact O-C 3.52Å; F453-N491 VanDerWaalsContact O-CA 3.32Å; F453-N491 WeakPolarHBondContact O-CA 3.29Å; S489-N491 PolarHBondContact OG-O 3.07Å; N491-N494 HydrophobicContact CB-CB 4.38Å; N491-N494 WeakPolarHBondContact OD1-CB 3.34Å; N491-N494 PolarHBondContact OD1-N 3.1Å; N491-Y519 HydrophobicContact CB-CD1 4.29Å; N491-Y519 HydrophobicContact CB-CE1 3.72Å; N491-Y519 WeakPolarHBondContact ND2-CD1 3.49Å; N491-L539 PolarHBondContact ND2-O 3.12Å; N491-S540 PolarHBondContact OD1-OG 2.58Å; N491-S541 PolarHBondContact O-N 2.8Å
492	N	98	Very high	94.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-92	123.4	163	176.2	88.3	0	0	0	111.5	R424 W426 F453 A454 V455 N494 E588	R424-N492 PolarHBondContact NH2-OD1 2.85Å; W426-N492 VanDerWaalsContact CD1-OD1 3.28Å; W426-N492 PolarHBondContact NE1-ND2 3.29Å; W426-N492 PolarHBondContact NE1-OD1 3.25Å; W426-N492 VanDerWaalsContact NE1-OD1 3.13Å; F453-N492 PolarHBondContact O-N 3.14Å; A454-N492 WeakPolarHBondContact CA-O 3.32Å; A454-N492 HydrophobicContact CB-CB 3.75Å; V455-N492 VanDerWaalsContact CG2-ND2 3.28Å; V455-N492 WeakPolarHBondContact CG2-ND2 3.47Å; V455-N492 PolarHBondContact N-O 2.8Å; V455-N492 VanDerWaalsContact N-O 3.09Å; N492-N494 PolarHBondContact O-N 3.34Å; N492-N494 PolarHBondContact O-OD1 2.99Å; N492-E588 PolarHBondContact OD1-OE1 3.33Å; N492-E588 VanDerWaalsContact OD1-OE1 3.08Å
493	E	97	Very high	93.7	Very high	9 Å²	9	17 Å²	17	4%	0.042	8%	0.08	C	C	.	.	S	Bend	trans	58	6.3	166.1	-62.7	175.2	126.7	0	0	117.8	V455 E495 L496 G497 W501 S541 H567 F1493	V455-E493 HydrophobicContact CG2-CB 4.4Å; V455-E493 WeakPolarHBondContact CG2-OE2 3.44Å; E493-E495 VanDerWaalsContact C-N 3.28Å; E493-E495 PolarHBondContact O-N 2.77Å; E493-L496 PolarHBondContact O-N 3.11Å; E493-G497 PolarHBondContact O-N 3.19Å; E493-W501 HydrophobicContact CB-CH2 3.85Å; E493-W501 HydrophobicContact CB-CZ3 3.75Å; E493-W501 HydrophobicContact CG-CH2 4.2Å; E493-W501 HydrophobicContact CG-CZ3 4.48Å; E493-S541 WeakPolarHBondContact CA-O 3.13Å; E493-S541 WeakPolarHBondContact CG-O 3.12Å; E493-S541 PolarHBondContact N-O 3.02Å; E493-H567 VanDerWaalsContact CD-ND1 3.33Å; E493-H567 VanDerWaalsContact CG-CE1 3.45Å; E493-H567 WeakPolarHBondContact CG-CE1 3.4Å; E493-H567 VanDerWaalsContact CG-ND1 3.34Å; E493-H567 WeakPolarHBondContact CG-ND1 3.13Å; E493-H567 IonicContact OE1-CE1 2.75Å; E493-H567 IonicContact OE1-CG 2.77Å; E493-H567 IonicContact OE1-ND1 2.87Å; E493-H567 PolarHBondContact OE1-ND1 2.97Å; E493-F1493 WeakPolarHBondContact OE2-CE2 3.43Å
494	N	96.8	Very high	93.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-70.9	-25.3	-174.7	-65.3	-23.2	0	0	0	112.5	V455 A456 N491 N492 L496 I498 F502 Y515 Y519	V455-N494 VanDerWaalsContact CA-OD1 3.27Å; V455-N494 WeakPolarHBondContact CA-OD1 3.29Å; V455-N494 PolarHBondContact N-OD1 2.74Å; A456-N494 PolarHBondContact N-OD1 2.67Å; A456-N494 PolarHBondContact O-ND2 2.7Å; A456-N494 PolarHBondContact O-OD1 2.73Å; A456-N494 VanDerWaalsContact O-OD1 3.1Å; N491-N494 HydrophobicContact CB-CB 4.38Å; N491-N494 WeakPolarHBondContact OD1-CB 3.34Å; N491-N494 PolarHBondContact OD1-N 3.1Å; N492-N494 PolarHBondContact O-N 3.34Å; N492-N494 PolarHBondContact O-OD1 2.99Å; N494-L496 VanDerWaalsContact C-N 3.34Å; N494-I498 WeakPolarHBondContact O-CB 3.43Å; N494-I498 WeakPolarHBondContact O-CG2 3.32Å; N494-I498 PolarHBondContact O-N 3.19Å; N494-I498 VanDerWaalsContact O-N 3.11Å; N494-F502 HydrophobicContact CB-CE2 4.34Å; N494-Y515 HydrophobicContact CB-CD2 4.19Å; N494-Y515 HydrophobicContact CB-CE2 3.75Å; N494-Y519 HydrophobicContact CB-CE2 4.41Å; N494-Y519 PolarHBondContact ND2-OH 2.94Å
495	E	96.3	Very high	92.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.7	-33.4	170.5	-160.5	-174.5	150.7	0	0	112.3	E493 I498 N499 S540 S543 T548 I554 S555 P558	E493-E495 VanDerWaalsContact C-N 3.28Å; E493-E495 PolarHBondContact O-N 2.77Å; E495-I498 WeakPolarHBondContact O-CG2 3.49Å; E495-N499 PolarHBondContact O-ND2 2.77Å; E495-N499 VanDerWaalsContact O-ND2 3.09Å; E495-S540 VanDerWaalsContact CB-CB 3.47Å; E495-S540 WeakPolarHBondContact CB-OG 3.35Å; E495-S543 VanDerWaalsContact OE2-CB 3.24Å; E495-S543 WeakPolarHBondContact OE2-CB 3.34Å; E495-S543 PolarHBondContact OE2-OG 2.9Å; E495-T548 VanDerWaalsContact CD-CG2 3.45Å; E495-T548 WeakPolarHBondContact OE1-CB 3.48Å; E495-T548 WeakPolarHBondContact OE1-CG2 3.45Å; E495-T548 PolarHBondContact OE1-OG1 3.15Å; E495-T548 WeakPolarHBondContact OE2-CG2 3.45Å; E495-I554 HydrophobicContact CG-CB 4.45Å; E495-I554 HydrophobicContact CG-CG2 4.04Å; E495-S555 WeakPolarHBondContact OE1-CB 3.45Å; E495-S555 PolarHBondContact OE1-N 2.83Å; E495-P558 HydrophobicContact CB-CB 4.35Å; E495-P558 HydrophobicContact CB-CG 4.33Å; E495-P558 HydrophobicContact CG-CB 4.04Å; E495-P558 HydrophobicContact CG-CG 3.78Å; E495-P558 WeakPolarHBondContact O-CG 3.37Å
496	L	93.3	Very high	92.6	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.052	13%	0.13	C	C	.	.	H	α-helix	trans	-79.1	-46.7	177.3	-168.9	61.8	0	0	0	110.6	E493 N494 I498 N499 H500 W501 P542 P558 N559	E493-L496 PolarHBondContact O-N 3.11Å; N494-L496 VanDerWaalsContact C-N 3.34Å; L496-I498 VanDerWaalsContact C-N 3.35Å; L496-I498 PolarHBondContact O-N 3.03Å; L496-N499 PolarHBondContact O-N 3.45Å; L496-N499 VanDerWaalsContact O-N 3.08Å; L496-H500 PolarHBondContact O-CD2 2.9Å; L496-H500 VanDerWaalsContact O-CD2 3.29Å; L496-H500 PolarHBondContact O-N 2.74Å; L496-W501 HydrophobicContact CB-CH2 4.27Å; L496-W501 HydrophobicContact CB-CZ2 4.25Å; L496-W501 HydrophobicContact CD2-CH2 3.81Å; L496-W501 HydrophobicContact CD2-CZ2 3.5Å; L496-W501 HydrophobicContact CG-CH2 4.09Å; L496-W501 HydrophobicContact CG-CZ2 3.64Å; L496-P542 HydrophobicContact CB-CG 4.39Å; L496-P542 HydrophobicContact CD2-CG 3.9Å; L496-P558 HydrophobicContact CD1-CB 4.39Å; L496-P558 HydrophobicContact CD1-CG 4.4Å; L496-N559 HydrophobicContact CD1-CB 3.98Å; L496-N559 HydrophobicContact CD2-CB 4.45Å
497	G	92	Very high	92.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-34.8	-179.5	0	0	0	0	0	114.2	E493 N499 H500 W501 F502	E493-G497 PolarHBondContact O-N 3.19Å; G497-N499 PolarHBondContact O-N 2.91Å; G497-H500 PolarHBondContact O-N 2.9Å; G497-W501 VanDerWaalsContact CA-CD2 3.45Å; G497-W501 PolarHBondContact O-N 3.37Å; G497-F502 VanDerWaalsContact C-CE2 3.5Å; G497-F502 WeakPolarHBondContact O-CD2 3.28Å; G497-F502 WeakPolarHBondContact O-CG 3.23Å; G497-F502 PolarHBondContact O-N 3.45Å
498	I	89.8	Confident	91.9	Very high	9 Å²	9	34 Å²	34	5%	0.046	18%	0.18	C	C	.	.	H	α-helix	trans	-68.7	-17.6	176.7	-158.5	167.6	0	0	0	113.2	L457 N494 E495 L496 F502 K508 Y511 Q512 Y515 I554	L457-I498 HydrophobicContact CD2-CB 4.43Å; L457-I498 HydrophobicContact CD2-CD1 3.97Å; L457-I498 HydrophobicContact CD2-CG1 4.24Å; N494-I498 WeakPolarHBondContact O-CB 3.43Å; N494-I498 WeakPolarHBondContact O-CG2 3.32Å; N494-I498 PolarHBondContact O-N 3.19Å; N494-I498 VanDerWaalsContact O-N 3.11Å; E495-I498 WeakPolarHBondContact O-CG2 3.49Å; L496-I498 VanDerWaalsContact C-N 3.35Å; L496-I498 PolarHBondContact O-N 3.03Å; I498-F502 HydrophobicContact CB-CD2 4.11Å; I498-F502 VanDerWaalsContact N-CD2 3.26Å; I498-K508 VanDerWaalsContact O-CE 3.25Å; I498-K508 WeakPolarHBondContact O-CE 3.29Å; I498-Y511 WeakPolarHBondContact CD1-O 3.18Å; I498-Q512 HydrophobicContact CD1-CB 4.43Å; I498-Q512 HydrophobicContact CD1-CG 3.91Å; I498-Q512 HydrophobicContact CG1-CG 4.34Å; I498-Y515 HydrophobicContact CD1-CG 4.35Å; I498-I554 HydrophobicContact CD1-CD1 4.23Å; I498-I554 HydrophobicContact CG2-CD1 4.39Å; I498-I554 HydrophobicContact CG2-CG2 3.85Å
499	N	81.9	Confident	91.6	Very high	33 Å²	33	37.5 Å²	37.5	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-89.2	-28.4	174.5	-79.9	-53.6	0	0	0	113.7	E495 L496 G497 K508 S555	E495-N499 PolarHBondContact O-ND2 2.77Å; E495-N499 VanDerWaalsContact O-ND2 3.09Å; L496-N499 PolarHBondContact O-N 3.45Å; L496-N499 VanDerWaalsContact O-N 3.08Å; G497-N499 PolarHBondContact O-N 2.91Å; N499-K508 PolarHBondContact OD1-NZ 3.34Å; N499-S555 PolarHBondContact ND2-O 2.93Å
500	H	82.2	Confident	91.5	Very high	94 Å²	94	39.6 Å²	39.6	44%	0.435	22%	0.217	S	C	.	.	H	α-helix	trans	-136.1	-21.5	-163.1	-56.3	-62.3	0	0	0	116.7	L496 G497	L496-H500 PolarHBondContact O-CD2 2.9Å; L496-H500 VanDerWaalsContact O-CD2 3.29Å; L496-H500 PolarHBondContact O-N 2.74Å; G497-H500 PolarHBondContact O-N 2.9Å
501	W	85.8	Confident	91.4	Very high	16 Å²	16	39.9 Å²	39.9	6%	0.061	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-33.7	-166.4	-41.1	-29.7	0	0	0	113.6	V455 E493 L496 G497 H503 S1490 S1492 F1493	V455-W501 HydrophobicContact CG1-CE3 3.9Å; V455-W501 HydrophobicContact CG1-CZ3 3.89Å; E493-W501 HydrophobicContact CB-CH2 3.85Å; E493-W501 HydrophobicContact CB-CZ3 3.75Å; E493-W501 HydrophobicContact CG-CH2 4.2Å; E493-W501 HydrophobicContact CG-CZ3 4.48Å; L496-W501 HydrophobicContact CB-CH2 4.27Å; L496-W501 HydrophobicContact CB-CZ2 4.25Å; L496-W501 HydrophobicContact CD2-CH2 3.81Å; L496-W501 HydrophobicContact CD2-CZ2 3.5Å; L496-W501 HydrophobicContact CG-CH2 4.09Å; L496-W501 HydrophobicContact CG-CZ2 3.64Å; G497-W501 VanDerWaalsContact CA-CD2 3.45Å; G497-W501 PolarHBondContact O-N 3.37Å; W501-H503 PolarHBondContact O-CD2 3.07Å; W501-H503 PolarHBondContact O-N 2.81Å; W501-S1490 PolarHBondContact NE1-OG 3.35Å; W501-S1492 VanDerWaalsContact CD1-CB 3.48Å; W501-S1492 VanDerWaalsContact CZ2-CB 3.47Å; W501-S1492 PolarHBondContact NE1-OG 3.16Å; W501-F1493 HydrophobicContact CE3-CB 4.23Å; W501-F1493 HydrophobicContact CE3-CD2 4.38Å; W501-F1493 HydrophobicContact CH2-CD2 4.34Å; W501-F1493 AromaticContact CZ3-CD2 3.91Å; W501-F1493 HydrophobicContact CZ3-CD2 3.91Å
502	F	86.3	Confident	91.2	Very high	23 Å²	23	42.7 Å²	42.7	10%	0.101	23%	0.232	C	C	.	.			trans	-83	83.9	-171.6	-61.1	-29.5	0	0	0	112.3	P207 V455 L457 N494 G497 I498	P207-F502 HydrophobicContact CG-CB 3.94Å; V455-F502 VanDerWaalsContact C-CZ 3.49Å; V455-F502 HydrophobicContact CG1-CE1 4.21Å; V455-F502 HydrophobicContact CG1-CZ 4.45Å; L457-F502 HydrophobicContact CD1-CB 4.1Å; L457-F502 HydrophobicContact CD1-CD2 4.13Å; L457-F502 HydrophobicContact CD1-CG 4.4Å; L457-F502 HydrophobicContact CD2-CD2 3.5Å; L457-F502 VanDerWaalsContact CD2-CD2 3.5Å; L457-F502 HydrophobicContact CD2-CE2 3.77Å; L457-F502 HydrophobicContact CD2-CG 4.46Å; L457-F502 HydrophobicContact CG-CB 4.23Å; L457-F502 HydrophobicContact CG-CD2 3.49Å; L457-F502 VanDerWaalsContact CG-CD2 3.49Å; L457-F502 HydrophobicContact CG-CE2 4.04Å; L457-F502 HydrophobicContact CG-CG 3.98Å; N494-F502 HydrophobicContact CB-CE2 4.34Å; G497-F502 VanDerWaalsContact C-CE2 3.5Å; G497-F502 WeakPolarHBondContact O-CD2 3.28Å; G497-F502 WeakPolarHBondContact O-CG 3.23Å; G497-F502 PolarHBondContact O-N 3.45Å; I498-F502 HydrophobicContact CB-CD2 4.11Å; I498-F502 VanDerWaalsContact N-CD2 3.26Å
503	H	84.3	Confident	91.1	Very high	159 Å²	159	45.8 Å²	45.8	74%	0.736	25%	0.254	S	S	*	.			trans	-88.3	120.2	170.9	-54.7	-66.7	0	0	0	110.6	P207 W501	P207-H503 WeakPolarHBondContact CB-O 3.34Å; W501-H503 PolarHBondContact O-CD2 3.07Å; W501-H503 PolarHBondContact O-N 2.81Å
504	G	86.7	Confident	91.1	Very high	32 Å²	32	46.1 Å²	46.1	33%	0.33	26%	0.256	S	S	.	.			trans	-144.5	-171.2	175.7	0	0	0	0	0	111.2	D205 Y511	D205-G504 WeakPolarHBondContact OD1-CA 3.29Å; G504-Y511 WeakPolarHBondContact CA-OH 3.41Å
505	T	93.3	Very high	91.1	Very high	90 Å²	90	46.3 Å²	46.3	55%	0.552	26%	0.256	S	S	*	.	S	Bend	trans	-85.5	-12	-173.3	56.4	0	0	0	0	115	Y204 D205 Y511	Y204-T505 VanDerWaalsContact CA-OG1 3.31Å; Y204-T505 WeakPolarHBondContact CA-OG1 3.49Å; D205-T505 PolarHBondContact N-OG1 3.49Å; D205-T505 PolarHBondContact OD1-N 2.98Å; D205-T505 PolarHBondContact OD1-OG1 2.77Å; T505-Y511 PolarHBondContact N-OH 3.03Å; T505-Y511 VanDerWaalsContact N-OH 3.14Å
506	A	92.1	Very high	91.2	Very high	22 Å²	22	47.7 Å²	47.7	18%	0.182	26%	0.264	C	S	.	.	S	Bend	trans	-87	163.4	176.2	0	0	0	0	0	113.5	Y204 T510 Y511	Y204-A506 HydrophobicContact CD1-CB 4.38Å; Y204-A506 HydrophobicContact CD2-CB 3.73Å; Y204-A506 HydrophobicContact CE2-CB 4.47Å; Y204-A506 HydrophobicContact CG-CB 3.69Å; A506-T510 HydrophobicContact CB-CG2 4.21Å; A506-Y511 HydrophobicContact CB-CD1 4.48Å; A506-Y511 HydrophobicContact CB-CD2 4.21Å; A506-Y511 HydrophobicContact CB-CE1 3.93Å; A506-Y511 HydrophobicContact CB-CE2 3.6Å; A506-Y511 VanDerWaalsContact CB-CZ 3.44Å; A506-Y511 PolarHBondContact N-OH 3.49Å; A506-Y511 VanDerWaalsContact N-OH 3.09Å; A506-Y511 WeakPolarHBondContact O-CE2 3.44Å
507	N	91.3	Very high	91.4	Very high	121 Å²	121	49.4 Å²	49.4	65%	0.647	27%	0.274	S	S	*	.			trans	-63.5	143.8	165.1	-69.6	-35.7	0	0	0	110.6	S509 T510	N507-S509 PolarHBondContact O-N 3.07Å; N507-S509 VanDerWaalsContact O-N 3.08Å; N507-T510 WeakPolarHBondContact O-CB 3.47Å; N507-T510 PolarHBondContact O-N 2.85Å
508	K	90.5	Very high	91.7	Very high	94 Å²	94	49.4 Å²	49.4	41%	0.409	28%	0.275	S	S	.	.	H	α-helix	trans	-51.4	-35.6	176.8	-176	174.3	175.1	176.4	0	112.9	I498 N499 T510 Y511 Q512	I498-K508 VanDerWaalsContact O-CE 3.25Å; I498-K508 WeakPolarHBondContact O-CE 3.29Å; N499-K508 PolarHBondContact OD1-NZ 3.34Å; K508-T510 VanDerWaalsContact C-N 3.33Å; K508-T510 PolarHBondContact O-N 3.5Å; K508-Y511 PolarHBondContact O-N 2.75Å; K508-Q512 HydrophobicContact CG-CG 4.24Å; K508-Q512 VanDerWaalsContact O-CG 3.28Å; K508-Q512 WeakPolarHBondContact O-CG 3.45Å; K508-Q512 PolarHBondContact O-N 3.19Å
509	S	92.5	Very high	92.1	Very high	75 Å²	75	49.1 Å²	49.1	52%	0.524	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-33.1	176.5	53	0	0	0	0	114.2	N507 S513	N507-S509 PolarHBondContact O-N 3.07Å; N507-S509 VanDerWaalsContact O-N 3.08Å; S509-S513 PolarHBondContact O-N 2.79Å
510	T	95	Very high	92.7	Very high	44 Å²	44	52.3 Å²	52.3	27%	0.27	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-53.7	174.3	-54.2	0	0	0	0	109.4	Y204 A506 N507 K508 Q512 S513 D514	Y204-T510 HydrophobicContact CD1-CG2 4.42Å; Y204-T510 HydrophobicContact CE1-CG2 3.83Å; Y204-T510 HydrophobicContact CE2-CG2 4.15Å; A506-T510 HydrophobicContact CB-CG2 4.21Å; N507-T510 WeakPolarHBondContact O-CB 3.47Å; N507-T510 PolarHBondContact O-N 2.85Å; K508-T510 VanDerWaalsContact C-N 3.33Å; K508-T510 PolarHBondContact O-N 3.5Å; T510-Q512 VanDerWaalsContact C-N 3.27Å; T510-Q512 PolarHBondContact O-N 3.42Å; T510-S513 WeakPolarHBondContact O-CA 3.21Å; T510-S513 VanDerWaalsContact O-CB 3.32Å; T510-S513 WeakPolarHBondContact O-CB 3.4Å; T510-S513 PolarHBondContact O-N 3.23Å; T510-D514 VanDerWaalsContact O-CG 3.31Å; T510-D514 PolarHBondContact O-N 3Å
511	Y	95.4	Very high	93.5	Very high	6 Å²	6	51.1 Å²	51.1	2%	0.024	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-38	177.2	-65.2	-48	0	0	0	112.9	Y204 D205 I206 L457 I498 G504 T505 A506 K508 D514 Y515	Y204-Y511 AromaticContact CD2-CE1 3.85Å; Y204-Y511 HydrophobicContact CD2-CE1 3.85Å; Y204-Y511 HydrophobicContact CE2-CE1 4.03Å; D205-Y511 WeakPolarHBondContact O-CE1 3.42Å; D205-Y511 PolarHBondContact O-OH 3.19Å; D205-Y511 PolarHBondContact OD1-OH 2.7Å; I206-Y511 HydrophobicContact CD1-CE1 4.48Å; L457-Y511 HydrophobicContact CD1-CD1 3.37Å; L457-Y511 HydrophobicContact CD1-CD2 4.21Å; L457-Y511 HydrophobicContact CD1-CE1 4.07Å; L457-Y511 HydrophobicContact CD1-CG 3.45Å; L457-Y511 VanDerWaalsContact CD1-CG 3.45Å; I498-Y511 WeakPolarHBondContact CD1-O 3.18Å; G504-Y511 WeakPolarHBondContact CA-OH 3.41Å; T505-Y511 PolarHBondContact N-OH 3.03Å; T505-Y511 VanDerWaalsContact N-OH 3.14Å; A506-Y511 HydrophobicContact CB-CD1 4.48Å; A506-Y511 HydrophobicContact CB-CD2 4.21Å; A506-Y511 HydrophobicContact CB-CE1 3.93Å; A506-Y511 HydrophobicContact CB-CE2 3.6Å; A506-Y511 VanDerWaalsContact CB-CZ 3.44Å; A506-Y511 PolarHBondContact N-OH 3.49Å; A506-Y511 VanDerWaalsContact N-OH 3.09Å; A506-Y511 WeakPolarHBondContact O-CE2 3.44Å; K508-Y511 PolarHBondContact O-N 2.75Å; Y511-D514 PolarHBondContact O-N 3.15Å; Y511-Y515 WeakPolarHBondContact O-CB 3.48Å; Y511-Y515 PolarHBondContact O-N 2.61Å
512	Q	94.8	Very high	94.1	Very high	59 Å²	59	52.2 Å²	52.2	28%	0.276	29%	0.286	S	S	.	.	H	α-helix	trans	-66.1	-38.2	175.8	-72.3	176	-56.1	0	0	111.8	I498 K508 T510 L516 I554	I498-Q512 HydrophobicContact CD1-CB 4.43Å; I498-Q512 HydrophobicContact CD1-CG 3.91Å; I498-Q512 HydrophobicContact CG1-CG 4.34Å; K508-Q512 HydrophobicContact CG-CG 4.24Å; K508-Q512 VanDerWaalsContact O-CG 3.28Å; K508-Q512 WeakPolarHBondContact O-CG 3.45Å; K508-Q512 PolarHBondContact O-N 3.19Å; T510-Q512 VanDerWaalsContact C-N 3.27Å; T510-Q512 PolarHBondContact O-N 3.42Å; Q512-L516 VanDerWaalsContact O-CG 3.25Å; Q512-L516 WeakPolarHBondContact O-CG 3.49Å; Q512-L516 PolarHBondContact O-N 3Å; Q512-L516 VanDerWaalsContact O-N 3.11Å; Q512-I554 HydrophobicContact CB-CD1 3.76Å; Q512-I554 HydrophobicContact CG-CD1 3.68Å
513	S	96.1	Very high	94.6	Very high	66 Å²	66	51.1 Å²	51.1	46%	0.462	28%	0.281	S	S	.	.	H	α-helix	trans	-64.2	-42.2	172.5	-170.1	0	0	0	0	111.8	S509 T510 L516 T517	S509-S513 PolarHBondContact O-N 2.79Å; T510-S513 WeakPolarHBondContact O-CA 3.21Å; T510-S513 VanDerWaalsContact O-CB 3.32Å; T510-S513 WeakPolarHBondContact O-CB 3.4Å; T510-S513 PolarHBondContact O-N 3.23Å; S513-L516 PolarHBondContact O-N 3.48Å; S513-T517 WeakPolarHBondContact O-CB 3.19Å; S513-T517 PolarHBondContact O-N 3.47Å; S513-T517 PolarHBondContact O-OG1 2.85Å
514	D	96.9	Very high	95.2	Very high	16 Å²	16	44.1 Å²	44.1	9%	0.086	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-46.5	179	-63.8	-11.6	0	0	0	111	Y204 V460 T510 Y511 L516 T517 L518	Y204-D514 PolarHBondContact OH-OD2 3.2Å; V460-D514 HydrophobicContact CG1-CB 3.77Å; V460-D514 WeakPolarHBondContact CG1-O 3.16Å; V460-D514 HydrophobicContact CG2-CB 4Å; V460-D514 VanDerWaalsContact CG2-OD1 3.23Å; V460-D514 WeakPolarHBondContact CG2-OD1 3.35Å; T510-D514 VanDerWaalsContact O-CG 3.31Å; T510-D514 PolarHBondContact O-N 3Å; Y511-D514 PolarHBondContact O-N 3.15Å; D514-L516 PolarHBondContact O-N 2.95Å; D514-T517 WeakPolarHBondContact O-CB 3.45Å; D514-T517 PolarHBondContact O-N 3.07Å; D514-L518 PolarHBondContact O-N 3.45Å
515	Y	97	Very high	95.7	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-54.7	-49.9	174.4	177	-82	0	0	0	112	N494 I498 Y511 L518 Y519 L539 I554	N494-Y515 HydrophobicContact CB-CD2 4.19Å; N494-Y515 HydrophobicContact CB-CE2 3.75Å; I498-Y515 HydrophobicContact CD1-CG 4.35Å; Y511-Y515 WeakPolarHBondContact O-CB 3.48Å; Y511-Y515 PolarHBondContact O-N 2.61Å; Y515-L518 PolarHBondContact O-N 3.43Å; Y515-Y519 HydrophobicContact CD1-CD2 4.13Å; Y515-Y519 AromaticContact CD2-CD2 3.44Å; Y515-Y519 HydrophobicContact CD2-CD2 3.44Å; Y515-Y519 VanDerWaalsContact CD2-CD2 3.44Å; Y515-Y519 AromaticContact CD2-CE2 3.54Å; Y515-Y519 HydrophobicContact CD2-CE2 3.54Å; Y515-Y519 HydrophobicContact CE1-CD2 4.11Å; Y515-Y519 AromaticContact CE2-CD2 3.4Å; Y515-Y519 HydrophobicContact CE2-CD2 3.4Å; Y515-Y519 AromaticContact CE2-CE2 3.64Å; Y515-Y519 HydrophobicContact CE2-CE2 3.64Å; Y515-Y519 HydrophobicContact CE2-CG 4.41Å; Y515-Y519 AromaticContact CG-CD2 3.79Å; Y515-Y519 HydrophobicContact CG-CD2 3.79Å; Y515-Y519 HydrophobicContact CG-CE2 4.23Å; Y515-Y519 AromaticContact CZ-CD2 3.74Å; Y515-Y519 VanDerWaalsContact O-CD2 3.25Å; Y515-Y519 WeakPolarHBondContact O-CD2 3.29Å; Y515-Y519 PolarHBondContact O-N 3.06Å; Y515-L539 PolarHBondContact OH-O 3.08Å; Y515-L539 VanDerWaalsContact OH-O 3.05Å; Y515-I554 HydrophobicContact CD1-CD1 3.6Å; Y515-I554 HydrophobicContact CD1-CG1 3.53Å; Y515-I554 HydrophobicContact CE1-CD1 4.25Å; Y515-I554 HydrophobicContact CE1-CG1 3.67Å; Y515-I554 HydrophobicContact CG-CD1 4.02Å; Y515-I554 HydrophobicContact CG-CG1 4.34Å
516	L	97.3	Very high	95.9	Very high	29 Å²	29	44.6 Å²	44.6	15%	0.152	24%	0.244	C	C	.	.	H	α-helix	trans	-66.9	-39.5	-178.7	-68.6	170.8	0	0	0	111.8	Q512 S513 D514 L518 R520 D521 G552 I554	Q512-L516 VanDerWaalsContact O-CG 3.25Å; Q512-L516 WeakPolarHBondContact O-CG 3.49Å; Q512-L516 PolarHBondContact O-N 3Å; Q512-L516 VanDerWaalsContact O-N 3.11Å; S513-L516 PolarHBondContact O-N 3.48Å; D514-L516 PolarHBondContact O-N 2.95Å; L516-L518 VanDerWaalsContact C-N 3.29Å; L516-L518 PolarHBondContact O-N 3.34Å; L516-R520 HydrophobicContact CD2-CB 4.48Å; L516-R520 WeakPolarHBondContact O-CB 3.47Å; L516-R520 PolarHBondContact O-N 3.36Å; L516-R520 VanDerWaalsContact O-N 3.07Å; L516-D521 PolarHBondContact O-N 2.85Å; L516-G552 WeakPolarHBondContact CD2-O 3.43Å; L516-I554 HydrophobicContact CD2-CG1 4.2Å; L516-I554 HydrophobicContact CG-CD1 4.29Å; L516-I554 HydrophobicContact CG-CG1 4.46Å
517	T	98.1	Very high	96.2	Very high	45 Å²	45	43.8 Å²	43.8	28%	0.276	24%	0.236	S	C	.	.	I	π-helix	trans	-57.7	-42.7	175.4	-59	0	0	0	0	111.3	V460 L465 S513 D514 L522	V460-T517 HydrophobicContact CB-CG2 4.48Å; V460-T517 HydrophobicContact CG1-CG2 4.47Å; L465-T517 HydrophobicContact CD1-CG2 4.07Å; S513-T517 WeakPolarHBondContact O-CB 3.19Å; S513-T517 PolarHBondContact O-N 3.47Å; S513-T517 PolarHBondContact O-OG1 2.85Å; D514-T517 WeakPolarHBondContact O-CB 3.45Å; D514-T517 PolarHBondContact O-N 3.07Å; T517-L522 WeakPolarHBondContact O-CB 3.37Å; T517-L522 PolarHBondContact O-N 3.5Å
518	L	98.4	Very high	96.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.222	C	C	.	.	I	π-helix	trans	-75.9	-58.2	-179.5	-179.3	57.3	0	0	0	112.7	F453 Y458 L465 V468 D514 Y515 L516 L522 I523	F453-L518 HydrophobicContact CD1-CD2 4.33Å; F453-L518 HydrophobicContact CE1-CD1 4.47Å; F453-L518 HydrophobicContact CE1-CD2 4.16Å; Y458-L518 HydrophobicContact CD2-CD2 4.48Å; Y458-L518 HydrophobicContact CG-CD2 4.33Å; L465-L518 HydrophobicContact CD2-CD1 4.11Å; V468-L518 HydrophobicContact CB-CD1 4.48Å; V468-L518 HydrophobicContact CG1-CD1 3.93Å; V468-L518 HydrophobicContact CG2-CD1 4.45Å; D514-L518 PolarHBondContact O-N 3.45Å; Y515-L518 PolarHBondContact O-N 3.43Å; L516-L518 VanDerWaalsContact C-N 3.29Å; L516-L518 PolarHBondContact O-N 3.34Å; L518-L522 HydrophobicContact CD1-CD2 4.35Å; L518-L522 WeakPolarHBondContact O-CB 3.41Å; L518-I523 HydrophobicContact CD1-CD1 4.08Å; L518-I523 HydrophobicContact CG-CD1 4.26Å; L518-I523 WeakPolarHBondContact O-CB 3.33Å; L518-I523 VanDerWaalsContact O-CG1 3.31Å; L518-I523 WeakPolarHBondContact O-CG1 3.43Å; L518-I523 PolarHBondContact O-N 3Å
519	Y	97.8	Very high	96.6	Very high	3 Å²	3	44 Å²	44	1%	0.012	24%	0.238	C	C	.	.	I	π-helix	trans	-85.3	-38.1	-167.1	-60.6	-62.7	0	0	0	114	F453 Y458 A490 N491 N494 Y515 I523 G524	F453-Y519 HydrophobicContact CB-CE1 3.97Å; F453-Y519 WeakPolarHBondContact CB-OH 3.38Å; F453-Y519 HydrophobicContact CD1-CE1 4.24Å; F453-Y519 HydrophobicContact CD2-CE1 4.05Å; F453-Y519 AromaticContact CG-CE1 3.83Å; F453-Y519 HydrophobicContact CG-CE1 3.83Å; Y458-Y519 WeakPolarHBondContact CD2-OH 3.45Å; A490-Y519 HydrophobicContact CB-CD1 3.77Å; A490-Y519 HydrophobicContact CB-CG 4.26Å; A490-Y519 WeakPolarHBondContact O-CE1 3.31Å; N491-Y519 HydrophobicContact CB-CD1 4.29Å; N491-Y519 HydrophobicContact CB-CE1 3.72Å; N491-Y519 WeakPolarHBondContact ND2-CD1 3.49Å; N494-Y519 HydrophobicContact CB-CE2 4.41Å; N494-Y519 PolarHBondContact ND2-OH 2.94Å; Y515-Y519 HydrophobicContact CD1-CD2 4.13Å; Y515-Y519 AromaticContact CD2-CD2 3.44Å; Y515-Y519 HydrophobicContact CD2-CD2 3.44Å; Y515-Y519 VanDerWaalsContact CD2-CD2 3.44Å; Y515-Y519 AromaticContact CD2-CE2 3.54Å; Y515-Y519 HydrophobicContact CD2-CE2 3.54Å; Y515-Y519 HydrophobicContact CE1-CD2 4.11Å; Y515-Y519 AromaticContact CE2-CD2 3.4Å; Y515-Y519 HydrophobicContact CE2-CD2 3.4Å; Y515-Y519 AromaticContact CE2-CE2 3.64Å; Y515-Y519 HydrophobicContact CE2-CE2 3.64Å; Y515-Y519 HydrophobicContact CE2-CG 4.41Å; Y515-Y519 AromaticContact CG-CD2 3.79Å; Y515-Y519 HydrophobicContact CG-CD2 3.79Å; Y515-Y519 HydrophobicContact CG-CE2 4.23Å; Y515-Y519 AromaticContact CZ-CD2 3.74Å; Y515-Y519 VanDerWaalsContact O-CD2 3.25Å; Y515-Y519 WeakPolarHBondContact O-CD2 3.29Å; Y515-Y519 PolarHBondContact O-N 3.06Å; Y519-I523 HydrophobicContact CD1-CD1 3.82Å; Y519-I523 HydrophobicContact CE1-CD1 4.18Å; Y519-I523 WeakPolarHBondContact O-CB 3.41Å; Y519-G524 PolarHBondContact O-N 3.48Å
520	R	95.8	Very high	96.7	Very high	99 Å²	99	41.8 Å²	41.8	37%	0.374	22%	0.221	S	C	.	.	I	π-helix	trans	-86.7	-56.3	179.4	-171.7	-169.1	68.4	-154.6	-6.3	110.9	L516 G524 L539 G552	L516-R520 HydrophobicContact CD2-CB 4.48Å; L516-R520 WeakPolarHBondContact O-CB 3.47Å; L516-R520 PolarHBondContact O-N 3.36Å; L516-R520 VanDerWaalsContact O-N 3.07Å; R520-G524 PolarHBondContact O-N 3.07Å; R520-L539 HydrophobicContact CB-CD2 4.14Å; R520-G552 PolarHBondContact NH1-O 3.28Å
521	D	97.3	Very high	96.6	Very high	70 Å²	70	39.7 Å²	39.7	37%	0.374	21%	0.208	S	C	.	.	I	π-helix	trans	-84.7	-32.6	-164.3	-61	-26.8	0	0	0	113.7	L516 N525	L516-D521 PolarHBondContact O-N 2.85Å; D521-N525 PolarHBondContact O-ND2 2.83Å
522	L	98.4	Very high	96.4	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.199	22%	0.221	C	C	.	.	I	π-helix	trans	-88.7	-64.7	169.6	178.5	65.7	0	0	0	111.3	L465 V468 T517 L518 I526	L465-L522 HydrophobicContact CB-CD2 4.17Å; L465-L522 HydrophobicContact CD2-CD2 3.91Å; L465-L522 WeakPolarHBondContact O-CD2 3.45Å; V468-L522 HydrophobicContact CB-CD2 4.1Å; V468-L522 HydrophobicContact CG1-CD2 3.87Å; T517-L522 WeakPolarHBondContact O-CB 3.37Å; T517-L522 PolarHBondContact O-N 3.5Å; L518-L522 HydrophobicContact CD1-CD2 4.35Å; L518-L522 WeakPolarHBondContact O-CB 3.41Å; L522-I526 HydrophobicContact CD1-CD1 3.71Å; L522-I526 HydrophobicContact CG-CD1 4.07Å; L522-I526 WeakPolarHBondContact O-CG1 3.09Å; L522-I526 PolarHBondContact O-N 2.71Å
523	I	98.2	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-67	-51.7	-168.9	-73.3	172.6	0	0	0	112.2	L451 F453 V468 V472 A490 L518 Y519 N525 I526 V527 F537	L451-I523 HydrophobicContact CD1-CD1 4.36Å; L451-I523 HydrophobicContact CD1-CG2 3.38Å; F453-I523 HydrophobicContact CD2-CD1 4.36Å; F453-I523 HydrophobicContact CE2-CD1 3.73Å; F453-I523 HydrophobicContact CZ-CD1 4.1Å; V468-I523 HydrophobicContact CG1-CD1 4.09Å; V468-I523 HydrophobicContact CG1-CG1 4.14Å; V472-I523 HydrophobicContact CG2-CG1 4.26Å; A490-I523 HydrophobicContact CB-CG2 4.24Å; L518-I523 HydrophobicContact CD1-CD1 4.08Å; L518-I523 HydrophobicContact CG-CD1 4.26Å; L518-I523 WeakPolarHBondContact O-CB 3.33Å; L518-I523 VanDerWaalsContact O-CG1 3.31Å; L518-I523 WeakPolarHBondContact O-CG1 3.43Å; L518-I523 PolarHBondContact O-N 3Å; Y519-I523 HydrophobicContact CD1-CD1 3.82Å; Y519-I523 HydrophobicContact CE1-CD1 4.18Å; Y519-I523 WeakPolarHBondContact O-CB 3.41Å; I523-N525 VanDerWaalsContact C-N 3.3Å; I523-N525 PolarHBondContact O-N 2.63Å; I523-I526 PolarHBondContact O-N 2.76Å; I523-V527 HydrophobicContact CG2-CG2 4.26Å; I523-V527 WeakPolarHBondContact O-CG2 3.34Å; I523-V527 PolarHBondContact O-N 3.09Å; I523-F537 HydrophobicContact CG2-CE2 4Å; I523-F537 HydrophobicContact CG2-CZ 3.93Å
524	G	96.6	Very high	96	Very high	12 Å²	12	43.8 Å²	43.8	12%	0.124	22%	0.222	C	C	.	.	I	π-helix	trans	-57.7	-39.6	-179.5	0	0	0	0	0	113.6	Y519 R520 V527 S528 F537	Y519-G524 PolarHBondContact O-N 3.48Å; R520-G524 PolarHBondContact O-N 3.07Å; G524-V527 PolarHBondContact O-N 3Å; G524-S528 WeakPolarHBondContact O-CB 3.5Å; G524-S528 PolarHBondContact O-N 3.47Å; G524-F537 VanDerWaalsContact CA-CE1 3.47Å
525	N	97.3	Very high	96	Very high	106 Å²	106	43.9 Å²	43.9	57%	0.567	22%	0.221	S	C	*	.	H	α-helix	trans	-64.6	-37.8	174.4	-83.3	-39.6	0	0	0	112.9	D521 I523 K529	D521-N525 PolarHBondContact O-ND2 2.83Å; I523-N525 VanDerWaalsContact C-N 3.3Å; I523-N525 PolarHBondContact O-N 2.63Å; N525-K529 WeakPolarHBondContact O-CB 3.43Å; N525-K529 PolarHBondContact O-N 3.19Å
526	I	98	Very high	96	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.138	23%	0.227	C	C	.	.	H	α-helix	trans	-69.4	-45.2	175.2	-64.8	165.4	0	0	0	110.6	V472 A473 L476 L522 I523 S528 K529 V530	V472-I526 HydrophobicContact CB-CG2 4.49Å; V472-I526 HydrophobicContact CG1-CB 4.4Å; V472-I526 HydrophobicContact CG1-CG2 3.99Å; A473-I526 HydrophobicContact CB-CG2 3.99Å; L476-I526 HydrophobicContact CD1-CG2 3.99Å; L522-I526 HydrophobicContact CD1-CD1 3.71Å; L522-I526 HydrophobicContact CG-CD1 4.07Å; L522-I526 WeakPolarHBondContact O-CG1 3.09Å; L522-I526 PolarHBondContact O-N 2.71Å; I523-I526 PolarHBondContact O-N 2.76Å; I526-S528 PolarHBondContact O-N 3.38Å; I526-K529 PolarHBondContact O-N 3.33Å; I526-V530 HydrophobicContact CG2-CG2 4Å; I526-V530 WeakPolarHBondContact O-CB 3.28Å; I526-V530 WeakPolarHBondContact O-CG2 3.28Å; I526-V530 PolarHBondContact O-N 2.93Å
527	V	97.2	Very high	95.9	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-57.5	-52.2	177	176	0	0	0	0	110.6	L476 W488 I523 G524 K529 V530 D531 F537	L476-V527 HydrophobicContact CD1-CB 4.35Å; L476-V527 HydrophobicContact CD1-CG2 3.85Å; L476-V527 HydrophobicContact CD2-CG2 4.45Å; W488-V527 HydrophobicContact CB-CG1 4.22Å; W488-V527 HydrophobicContact CG-CG1 4.16Å; I523-V527 HydrophobicContact CG2-CG2 4.26Å; I523-V527 WeakPolarHBondContact O-CG2 3.34Å; I523-V527 PolarHBondContact O-N 3.09Å; G524-V527 PolarHBondContact O-N 3Å; V527-K529 PolarHBondContact O-N 2.82Å; V527-V530 PolarHBondContact O-N 2.96Å; V527-D531 WeakPolarHBondContact O-CB 3.36Å; V527-D531 PolarHBondContact O-N 3.01Å; V527-F537 HydrophobicContact CB-CD2 4.22Å; V527-F537 HydrophobicContact CB-CG 4.46Å; V527-F537 HydrophobicContact CG1-CB 4.04Å; V527-F537 HydrophobicContact CG1-CD2 3.97Å; V527-F537 HydrophobicContact CG1-CG 4.09Å; V527-F537 HydrophobicContact CG2-CD2 3.96Å; V527-F537 HydrophobicContact CG2-CE2 3.95Å
528	S	95.4	Very high	95.8	Very high	49 Å²	49	44.2 Å²	44.2	34%	0.343	22%	0.22	S	C	.	.	H	α-helix	trans	-60.9	-28.3	-180	-171	0	0	0	0	113.2	G524 I526 Q532 Q533	G524-S528 WeakPolarHBondContact O-CB 3.5Å; G524-S528 PolarHBondContact O-N 3.47Å; I526-S528 PolarHBondContact O-N 3.38Å; S528-Q532 WeakPolarHBondContact O-CA 3.46Å; S528-Q533 PolarHBondContact OG-NE2 3.44Å
529	K	94.8	Very high	95.7	Very high	171 Å²	171	44.7 Å²	44.7	74%	0.743	22%	0.223	S	C	*	.	H	α-helix	trans	-82.9	-43.5	178.1	-178.3	176.5	176.6	-178.7	0	113.2	N525 I526 V527	N525-K529 WeakPolarHBondContact O-CB 3.43Å; N525-K529 PolarHBondContact O-N 3.19Å; I526-K529 PolarHBondContact O-N 3.33Å; V527-K529 PolarHBondContact O-N 2.82Å
530	V	94.1	Very high	95.7	Very high	28 Å²	28	44.6 Å²	44.6	17%	0.17	22%	0.223	C	C	.	.	H	α-helix	trans	-85.7	-37.4	-171.1	179.2	0	0	0	0	112.3	L476 K480 I526 V527	L476-V530 HydrophobicContact CB-CB 4.17Å; L476-V530 HydrophobicContact CB-CG1 3.63Å; L476-V530 HydrophobicContact CD1-CB 4.2Å; K480-V530 HydrophobicContact CD-CG1 4.15Å; K480-V530 VanDerWaalsContact CD-O 3.29Å; K480-V530 WeakPolarHBondContact CD-O 3.34Å; K480-V530 PolarHBondContact NZ-O 2.81Å; I526-V530 HydrophobicContact CG2-CG2 4Å; I526-V530 WeakPolarHBondContact O-CB 3.28Å; I526-V530 WeakPolarHBondContact O-CG2 3.28Å; I526-V530 PolarHBondContact O-N 2.93Å; V527-V530 PolarHBondContact O-N 2.96Å
531	D	93.6	Very high	95.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.205	C	C	.	.	S	Bend	trans	-85.2	-11.3	174.3	-169.1	89.4	0	0	0	112.4	L264 W488 V527 Q533 S534 R535	L264-D531 WeakPolarHBondContact CD2-O 3.41Å; W488-D531 PolarHBondContact NE1-OD1 2.85Å; V527-D531 WeakPolarHBondContact O-CB 3.36Å; V527-D531 PolarHBondContact O-N 3.01Å; D531-Q533 PolarHBondContact O-N 2.85Å; D531-Q533 VanDerWaalsContact O-N 3.09Å; D531-S534 WeakPolarHBondContact O-CB 3.29Å; D531-S534 PolarHBondContact O-N 2.88Å; D531-S534 PolarHBondContact O-OG 3.25Å; D531-S534 PolarHBondContact OD1-OG 2.84Å; D531-S534 WeakPolarHBondContact OD2-CA 3.49Å; D531-S534 WeakPolarHBondContact OD2-CB 3.33Å; D531-S534 PolarHBondContact OD2-N 2.83Å; D531-S534 PolarHBondContact OD2-OG 2.88Å; D531-R535 WeakPolarHBondContact OD1-CD 3.34Å; D531-R535 IonicContact OD1-CZ 3.71Å; D531-R535 IonicContact OD1-NE 3.67Å; D531-R535 IonicContact OD1-NH1 2.73Å; D531-R535 PolarHBondContact OD1-NH1 2.87Å; D531-R535 PolarHBondContact OD2-N 3.25Å
532	Q	91.6	Very high	95.8	Very high	63 Å²	63	36.5 Å²	36.5	29%	0.294	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	32	-178.3	-54.6	-172.3	18.5	0	0	113.6	L264 K266 H277 S528	L264-Q532 HydrophobicContact CD2-CB 4.3Å; K266-Q532 PolarHBondContact NZ-O 2.8Å; H277-Q532 PolarHBondContact CE1-OE1 2.83Å; H277-Q532 VanDerWaalsContact CE1-OE1 3.28Å; H277-Q532 PolarHBondContact ND1-OE1 3.34Å; S528-Q532 WeakPolarHBondContact O-CA 3.46Å
533	Q	90.4	Very high	95.7	Very high	135 Å²	135	34.8 Å²	34.8	63%	0.631	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	53.9	-177.1	-54.7	168.9	-11.3	0	0	111.7	K266 S528 D531	K266-Q533 WeakPolarHBondContact CE-O 3.35Å; K266-Q533 PolarHBondContact NZ-O 2.81Å; S528-Q533 PolarHBondContact OG-NE2 3.44Å; D531-Q533 PolarHBondContact O-N 2.85Å; D531-Q533 VanDerWaalsContact O-N 3.09Å
534	S	92.5	Very high	95.7	Very high	19 Å²	19	35 Å²	35	13%	0.133	18%	0.179	C	C	.	.	S	Bend	trans	-95.1	-20.9	170.5	76.8	0	0	0	0	112.7	D531	D531-S534 WeakPolarHBondContact O-CB 3.29Å; D531-S534 PolarHBondContact O-N 2.88Å; D531-S534 PolarHBondContact O-OG 3.25Å; D531-S534 PolarHBondContact OD1-OG 2.84Å; D531-S534 WeakPolarHBondContact OD2-CA 3.49Å; D531-S534 WeakPolarHBondContact OD2-CB 3.33Å; D531-S534 PolarHBondContact OD2-N 2.83Å; D531-S534 PolarHBondContact OD2-OG 2.88Å
535	R	95.9	Very high	95.6	Very high	17 Å²	17	34.7 Å²	34.7	6%	0.064	18%	0.176	C	C	.	.	S	Bend	trans	-129	150.3	178.4	-65.6	167.1	-178	85.8	1.3	110	K480 H482 I485 D531	K480-R535 VanDerWaalsContact O-CZ 3.3Å; K480-R535 PolarHBondContact O-NH1 2.8Å; K480-R535 PolarHBondContact O-NH2 3.3Å; H482-R535 PolarHBondContact O-NH2 3.09Å; I485-R535 WeakPolarHBondContact O-CD 3.34Å; I485-R535 PolarHBondContact O-NE 3.02Å; D531-R535 WeakPolarHBondContact OD1-CD 3.34Å; D531-R535 IonicContact OD1-CZ 3.71Å; D531-R535 IonicContact OD1-NE 3.67Å; D531-R535 IonicContact OD1-NH1 2.73Å; D531-R535 PolarHBondContact OD1-NH1 2.87Å; D531-R535 PolarHBondContact OD2-N 3.25Å
536	P	96.6	Very high	95.4	Very high	22 Å²	22	33.4 Å²	33.4	14%	0.143	17%	0.167	C	C	.	.			trans	-59.3	155	165.2	-24.1	35.4	0	0	0	113	V364 L366 F379 F486 V487 W488	V364-P536 HydrophobicContact CG1-CG 4.24Å; L366-P536 HydrophobicContact CB-CB 3.67Å; L366-P536 HydrophobicContact CB-CG 3.48Å; L366-P536 VanDerWaalsContact CB-CG 3.48Å; L366-P536 HydrophobicContact CD2-CB 4.13Å; F379-P536 HydrophobicContact CD1-CG 4.37Å; F379-P536 HydrophobicContact CE1-CB 4.23Å; F379-P536 HydrophobicContact CE1-CG 4.09Å; F486-P536 WeakPolarHBondContact O-CD 3.42Å; V487-P536 HydrophobicContact CG2-CB 4.28Å; W488-P536 PolarHBondContact N-O 3.05Å; W488-P536 VanDerWaalsContact N-O 3.09Å
537	F	96.8	Very high	95.3	Very high	58 Å²	58	33.7 Å²	33.7	25%	0.254	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.3	173.2	171.1	-111.8	0	0	0	109.5	W488 A490 I523 G524 V527 L539	W488-F537 HydrophobicContact CB-CD2 3.97Å; W488-F537 CarbonylContact O-C 3.52Å; W488-F537 VanDerWaalsContact O-CA 3.27Å; W488-F537 WeakPolarHBondContact O-CA 3.33Å; W488-F537 WeakPolarHBondContact O-CD2 3.48Å; A490-F537 HydrophobicContact CB-CE2 3.77Å; A490-F537 HydrophobicContact CB-CZ 3.72Å; I523-F537 HydrophobicContact CG2-CE2 4Å; I523-F537 HydrophobicContact CG2-CZ 3.93Å; G524-F537 VanDerWaalsContact CA-CE1 3.47Å; V527-F537 HydrophobicContact CB-CD2 4.22Å; V527-F537 HydrophobicContact CB-CG 4.46Å; V527-F537 HydrophobicContact CG1-CB 4.04Å; V527-F537 HydrophobicContact CG1-CD2 3.97Å; V527-F537 HydrophobicContact CG1-CG 4.09Å; V527-F537 HydrophobicContact CG2-CD2 3.96Å; V527-F537 HydrophobicContact CG2-CE2 3.95Å; F537-L539 HydrophobicContact CE1-CD2 3.86Å; F537-L539 HydrophobicContact CZ-CD2 4.24Å
538	V	96.1	Very high	95.3	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.3	176.4	-61.2	0	0	0	0	110.8	L366 F377 W448 V487 W488 A490	L366-V538 HydrophobicContact CD2-CG1 4.12Å; F377-V538 HydrophobicContact CZ-CG1 4.46Å; W448-V538 HydrophobicContact CZ2-CG2 4.3Å; V487-V538 HydrophobicContact CG2-CG1 4.38Å; V487-V538 HydrophobicContact CG2-CG2 4.36Å; W488-V538 PolarHBondContact O-N 2.76Å; A490-V538 PolarHBondContact N-O 3Å
539	L	96.2	Very high	95.2	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.063	18%	0.177	C	C	.	.	S	Bend	trans	-78.1	-19.9	-173.9	-73.6	172.2	0	0	0	113.8	A490 N491 Y515 R520 F537 T548 I549	A490-L539 WeakPolarHBondContact CB-O 3.48Å; N491-L539 PolarHBondContact ND2-O 3.12Å; Y515-L539 PolarHBondContact OH-O 3.08Å; Y515-L539 VanDerWaalsContact OH-O 3.05Å; R520-L539 HydrophobicContact CB-CD2 4.14Å; F537-L539 HydrophobicContact CE1-CD2 3.86Å; F537-L539 HydrophobicContact CZ-CD2 4.24Å; L539-T548 HydrophobicContact CD1-CG2 4.07Å; L539-I549 HydrophobicContact CD1-CG1 3.92Å
540	S	97.7	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-163	171.8	178.3	175.4	0	0	0	0	109.2	N491 E495 P542 S543	N491-S540 PolarHBondContact OD1-OG 2.58Å; E495-S540 VanDerWaalsContact CB-CB 3.47Å; E495-S540 WeakPolarHBondContact CB-OG 3.35Å; S540-P542 WeakPolarHBondContact CB-O 3.39Å; S540-P542 PolarHBondContact OG-O 3.12Å; S540-S543 VanDerWaalsContact O-CB 3.27Å; S540-S543 WeakPolarHBondContact O-CB 3.22Å
541	S	97.7	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-133.6	109.7	165.4	-177.6	0	0	0	0	105.9	R424 N491 E493 D565 H567	R424-S541 PolarHBondContact NH2-OG 2.88Å; N491-S541 PolarHBondContact O-N 2.8Å; E493-S541 WeakPolarHBondContact CA-O 3.13Å; E493-S541 WeakPolarHBondContact CG-O 3.12Å; E493-S541 PolarHBondContact N-O 3.02Å; S541-D565 PolarHBondContact OG-OD2 2.74Å; S541-H567 VanDerWaalsContact C-NE2 3.28Å; S541-H567 PolarHBondContact O-CE1 3Å; S541-H567 VanDerWaalsContact O-CE1 3.26Å; S541-H567 PolarHBondContact O-NE2 2.89Å; S541-H567 PolarHBondContact OG-NE2 3.45Å
542	P	97.4	Very high	95.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	S	Bend	cis	-77.7	157.3	0.2	33.8	-31.9	0	0	0	112.1	L496 S540 N559 D565 H567	L496-P542 HydrophobicContact CB-CG 4.39Å; L496-P542 HydrophobicContact CD2-CG 3.9Å; S540-P542 WeakPolarHBondContact CB-O 3.39Å; S540-P542 PolarHBondContact OG-O 3.12Å; P542-N559 HydrophobicContact CG-CB 4.4Å; P542-D565 WeakPolarHBondContact CA-OD1 3.26Å; P542-D565 WeakPolarHBondContact CB-O 3.25Å; P542-H567 HydrophobicContact CG-CB 4.26Å
543	S	96.4	Very high	95.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.184	C	C	.	.			trans	-155.3	143.6	174.5	-170.6	0	0	0	0	111.5	E495 S540 G545 T548 G564 D565	E495-S543 VanDerWaalsContact OE2-CB 3.24Å; E495-S543 WeakPolarHBondContact OE2-CB 3.34Å; E495-S543 PolarHBondContact OE2-OG 2.9Å; S540-S543 VanDerWaalsContact O-CB 3.27Å; S540-S543 WeakPolarHBondContact O-CB 3.22Å; S543-G545 PolarHBondContact O-N 3.16Å; S543-G545 PolarHBondContact OG-N 3.08Å; S543-T548 PolarHBondContact OG-OG1 3.15Å; S543-G564 WeakPolarHBondContact O-CA 3.49Å; S543-D565 PolarHBondContact N-OD1 2.91Å; S543-D565 PolarHBondContact O-N 2.93Å
544	N	97.1	Very high	95.3	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.027	16%	0.158	C	C	.	.			trans	-74.9	10	173.2	-67.5	-20.9	0	0	0	113.2	E546 L547 T548 S555 N557 S560	N544-E546 PolarHBondContact O-N 3.46Å; N544-L547 HydrophobicContact CB-CB 3.98Å; N544-L547 HydrophobicContact CB-CD2 4.22Å; N544-L547 HydrophobicContact CB-CG 4.35Å; N544-L547 PolarHBondContact O-N 3.41Å; N544-T548 PolarHBondContact N-OG1 3.28Å; N544-T548 VanDerWaalsContact N-OG1 3.08Å; N544-S555 PolarHBondContact ND2-OG 2.96Å; N544-N557 PolarHBondContact ND2-O 2.88Å; N544-N557 PolarHBondContact OD1-O 3.23Å; N544-S560 WeakPolarHBondContact OD1-CB 3.29Å
545	G	94.5	Very high	95.4	Very high	6 Å²	6	29.4 Å²	29.4	6%	0.062	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	-115.9	170.5	0	0	0	0	0	113.2	S543 L547 T548 I549	S543-G545 PolarHBondContact O-N 3.16Å; S543-G545 PolarHBondContact OG-N 3.08Å; G545-L547 PolarHBondContact O-N 2.86Å; G545-T548 WeakPolarHBondContact O-CB 3.48Å; G545-T548 PolarHBondContact O-N 2.89Å; G545-I549 PolarHBondContact O-N 2.97Å; G545-I549 VanDerWaalsContact O-N 3.14Å
546	E	94.2	Very high	95.1	Very high	78 Å²	78	32.9 Å²	32.9	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-58	-31.9	176.4	-108.3	-167.6	-125.7	0	0	113.4	N544 K550	N544-E546 PolarHBondContact O-N 3.46Å; E546-K550 VanDerWaalsContact O-CD 3.3Å; E546-K550 WeakPolarHBondContact O-CD 3.33Å; E546-K550 WeakPolarHBondContact O-CE 3.31Å; E546-K550 VanDerWaalsContact O-CG 3.24Å; E546-K550 WeakPolarHBondContact O-CG 3.16Å; E546-K550 PolarHBondContact O-N 3.45Å; E546-K550 VanDerWaalsContact O-N 3.17Å; E546-K550 WeakPolarHBondContact OE2-CE 3.3Å; E546-K550 IonicContact OE2-NZ 3.54Å; E546-K550 PolarHBondContact OE2-NZ 3.31Å
547	L	95.6	Very high	95	Very high	33 Å²	33	35.5 Å²	35.5	17%	0.173	19%	0.193	C	C	.	.	H	α-helix	trans	-73.6	-41.8	176.2	175.1	66.1	0	0	0	111.1	N544 G545 I549 K550 E551 Y563	N544-L547 HydrophobicContact CB-CB 3.98Å; N544-L547 HydrophobicContact CB-CD2 4.22Å; N544-L547 HydrophobicContact CB-CG 4.35Å; N544-L547 PolarHBondContact O-N 3.41Å; G545-L547 PolarHBondContact O-N 2.86Å; L547-I549 PolarHBondContact O-N 3.1Å; L547-K550 CarbonylContact O-C 3.57Å; L547-K550 WeakPolarHBondContact O-CA 3.33Å; L547-K550 PolarHBondContact O-N 2.85Å; L547-E551 HydrophobicContact CD1-CG 4.17Å; L547-E551 WeakPolarHBondContact CD1-OE1 3.24Å; L547-E551 WeakPolarHBondContact CD2-OE1 3.36Å; L547-E551 HydrophobicContact CG-CG 4.42Å; L547-E551 VanDerWaalsContact CG-OE1 3.29Å; L547-E551 WeakPolarHBondContact CG-OE1 3.45Å; L547-E551 PolarHBondContact O-N 3.09Å; L547-Y563 HydrophobicContact CB-CD1 3.96Å; L547-Y563 HydrophobicContact CB-CE1 4.21Å; L547-Y563 HydrophobicContact CB-CG 4.39Å; L547-Y563 HydrophobicContact CD2-CD1 3.89Å; L547-Y563 HydrophobicContact CD2-CD2 3.64Å; L547-Y563 HydrophobicContact CD2-CE1 3.78Å; L547-Y563 HydrophobicContact CD2-CE2 3.53Å; L547-Y563 HydrophobicContact CD2-CG 3.82Å; L547-Y563 HydrophobicContact CG-CE1 4.48Å
548	T	96.1	Very high	94.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-52.9	-43.5	172.5	-73.3	0	0	0	0	111	E495 L539 S543 N544 G545 E551 G552 G553 S555	E495-T548 VanDerWaalsContact CD-CG2 3.45Å; E495-T548 WeakPolarHBondContact OE1-CB 3.48Å; E495-T548 WeakPolarHBondContact OE1-CG2 3.45Å; E495-T548 PolarHBondContact OE1-OG1 3.15Å; E495-T548 WeakPolarHBondContact OE2-CG2 3.45Å; L539-T548 HydrophobicContact CD1-CG2 4.07Å; S543-T548 PolarHBondContact OG-OG1 3.15Å; N544-T548 PolarHBondContact N-OG1 3.28Å; N544-T548 VanDerWaalsContact N-OG1 3.08Å; G545-T548 WeakPolarHBondContact O-CB 3.48Å; G545-T548 PolarHBondContact O-N 2.89Å; T548-E551 PolarHBondContact O-N 3.48Å; T548-G552 PolarHBondContact O-N 3.06Å; T548-G553 VanDerWaalsContact CG2-C 3.46Å; T548-G553 WeakPolarHBondContact CG2-O 3.28Å; T548-G553 WeakPolarHBondContact O-CA 3.45Å; T548-G553 PolarHBondContact O-N 3.13Å; T548-S555 WeakPolarHBondContact OG1-CB 3.4Å
549	I	93.4	Very high	94.8	Very high	106 Å²	106	34.4 Å²	34.4	54%	0.544	19%	0.189	S	C	.	.	H	α-helix	trans	-64.2	-41.2	176.8	-63.3	169.5	0	0	0	111.3	L539 G545 L547 G552	L539-I549 HydrophobicContact CD1-CG1 3.92Å; G545-I549 PolarHBondContact O-N 2.97Å; G545-I549 VanDerWaalsContact O-N 3.14Å; L547-I549 PolarHBondContact O-N 3.1Å; I549-G552 PolarHBondContact O-N 3.19Å; I549-G552 VanDerWaalsContact O-N 3.11Å
550	K	93.4	Very high	94.8	Very high	135 Å²	135	34.6 Å²	34.6	59%	0.587	19%	0.191	S	C	*	.	H	α-helix	trans	-68.8	-31.1	177.4	-68.5	160.4	-165	167	0	112.9	E546 L547 G552	E546-K550 VanDerWaalsContact O-CD 3.3Å; E546-K550 WeakPolarHBondContact O-CD 3.33Å; E546-K550 WeakPolarHBondContact O-CE 3.31Å; E546-K550 VanDerWaalsContact O-CG 3.24Å; E546-K550 WeakPolarHBondContact O-CG 3.16Å; E546-K550 PolarHBondContact O-N 3.45Å; E546-K550 VanDerWaalsContact O-N 3.17Å; E546-K550 WeakPolarHBondContact OE2-CE 3.3Å; E546-K550 IonicContact OE2-NZ 3.54Å; E546-K550 PolarHBondContact OE2-NZ 3.31Å; L547-K550 CarbonylContact O-C 3.57Å; L547-K550 WeakPolarHBondContact O-CA 3.33Å; L547-K550 PolarHBondContact O-N 2.85Å; K550-G552 PolarHBondContact O-N 3Å
551	E	94.5	Very high	94.8	Very high	80 Å²	80	36.8 Å²	36.8	37%	0.374	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	5.3	170.7	-72.8	179.2	-145.4	0	0	113	L547 T548 S555 S556	L547-E551 HydrophobicContact CD1-CG 4.17Å; L547-E551 WeakPolarHBondContact CD1-OE1 3.24Å; L547-E551 WeakPolarHBondContact CD2-OE1 3.36Å; L547-E551 HydrophobicContact CG-CG 4.42Å; L547-E551 VanDerWaalsContact CG-OE1 3.29Å; L547-E551 WeakPolarHBondContact CG-OE1 3.45Å; L547-E551 PolarHBondContact O-N 3.09Å; T548-E551 PolarHBondContact O-N 3.48Å; E551-S555 VanDerWaalsContact OE2-CA 3.23Å; E551-S555 WeakPolarHBondContact OE2-CA 3.24Å; E551-S555 PolarHBondContact OE2-OG 3.28Å; E551-S556 PolarHBondContact OE2-N 3.3Å; E551-S556 PolarHBondContact OE2-OG 2.98Å
552	G	92.6	Very high	94.8	Very high	39 Å²	39	39 Å²	39	40%	0.402	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	-5.2	174.5	0	0	0	0	0	115.2	L516 R520 T548 I549 K550	L516-G552 WeakPolarHBondContact CD2-O 3.43Å; R520-G552 PolarHBondContact NH1-O 3.28Å; T548-G552 PolarHBondContact O-N 3.06Å; I549-G552 PolarHBondContact O-N 3.19Å; I549-G552 VanDerWaalsContact O-N 3.11Å; K550-G552 PolarHBondContact O-N 3Å
553	G	92.3	Very high	94.8	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	22%	0.223	C	C	.	.	S	Bend	trans	116.6	2.2	176.9	0	0	0	0	0	115.1	T548	T548-G553 VanDerWaalsContact CG2-C 3.46Å; T548-G553 WeakPolarHBondContact CG2-O 3.28Å; T548-G553 WeakPolarHBondContact O-CA 3.45Å; T548-G553 PolarHBondContact O-N 3.13Å
554	I	94.9	Very high	94.8	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.087	22%	0.224	C	C	.	.	S	Bend	trans	-142	115.1	172	-58.5	172.1	0	0	0	107.3	E495 I498 Q512 Y515 L516	E495-I554 HydrophobicContact CG-CB 4.45Å; E495-I554 HydrophobicContact CG-CG2 4.04Å; I498-I554 HydrophobicContact CD1-CD1 4.23Å; I498-I554 HydrophobicContact CG2-CD1 4.39Å; I498-I554 HydrophobicContact CG2-CG2 3.85Å; Q512-I554 HydrophobicContact CB-CD1 3.76Å; Q512-I554 HydrophobicContact CG-CD1 3.68Å; Y515-I554 HydrophobicContact CD1-CD1 3.6Å; Y515-I554 HydrophobicContact CD1-CG1 3.53Å; Y515-I554 HydrophobicContact CE1-CD1 4.25Å; Y515-I554 HydrophobicContact CE1-CG1 3.67Å; Y515-I554 HydrophobicContact CG-CD1 4.02Å; Y515-I554 HydrophobicContact CG-CG1 4.34Å; L516-I554 HydrophobicContact CD2-CG1 4.2Å; L516-I554 HydrophobicContact CG-CD1 4.29Å; L516-I554 HydrophobicContact CG-CG1 4.46Å
555	S	94.3	Very high	94.9	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.014	22%	0.223	C	C	.	.			trans	-73.8	152	178.4	-174.9	0	0	0	0	112.7	E495 N499 N544 T548 E551 N557	E495-S555 WeakPolarHBondContact OE1-CB 3.45Å; E495-S555 PolarHBondContact OE1-N 2.83Å; N499-S555 PolarHBondContact ND2-O 2.93Å; N544-S555 PolarHBondContact ND2-OG 2.96Å; T548-S555 WeakPolarHBondContact OG1-CB 3.4Å; E551-S555 VanDerWaalsContact OE2-CA 3.23Å; E551-S555 WeakPolarHBondContact OE2-CA 3.24Å; E551-S555 PolarHBondContact OE2-OG 3.28Å; S555-N557 VanDerWaalsContact C-N 3.32Å; S555-N557 PolarHBondContact OG-N 3.49Å
556	S	90.1	Very high	95	Very high	91 Å²	91	41.6 Å²	41.6	64%	0.636	22%	0.222	S	C	*	.	S	Bend	trans	-64.6	-29.6	168.2	54.2	0	0	0	0	113.9	E551	E551-S556 PolarHBondContact OE2-N 3.3Å; E551-S556 PolarHBondContact OE2-OG 2.98Å
557	N	93.5	Very high	95.2	Very high	77 Å²	77	38.2 Å²	38.2	41%	0.412	21%	0.206	S	C	.	.	S	Bend	trans	-142	87.4	168.7	175.2	14.4	0	0	0	109.6	N544 S555 N559	N544-N557 PolarHBondContact ND2-O 2.88Å; N544-N557 PolarHBondContact OD1-O 3.23Å; S555-N557 VanDerWaalsContact C-N 3.32Å; S555-N557 PolarHBondContact OG-N 3.49Å; N557-N559 PolarHBondContact O-N 2.77Å; N557-N559 VanDerWaalsContact O-N 3.12Å; N557-N559 PolarHBondContact OD1-N 2.81Å
558	P	94.7	Very high	95.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-66.6	-9	-177.9	-20.6	33.2	0	0	0	115.2	E495 L496	E495-P558 HydrophobicContact CB-CB 4.35Å; E495-P558 HydrophobicContact CB-CG 4.33Å; E495-P558 HydrophobicContact CG-CB 4.04Å; E495-P558 HydrophobicContact CG-CG 3.78Å; E495-P558 WeakPolarHBondContact O-CG 3.37Å; L496-P558 HydrophobicContact CD1-CB 4.39Å; L496-P558 HydrophobicContact CD1-CG 4.4Å
559	N	94.4	Very high	94.8	Very high	39 Å²	39	40.7 Å²	40.7	21%	0.209	21%	0.214	C	C	.	.	S	Bend	trans	-111.8	50.5	-175.7	-153.9	37.5	0	0	0	110.2	L496 P542 N557 M566 H567	L496-N559 HydrophobicContact CD1-CB 3.98Å; L496-N559 HydrophobicContact CD2-CB 4.45Å; P542-N559 HydrophobicContact CG-CB 4.4Å; N557-N559 PolarHBondContact O-N 2.77Å; N557-N559 VanDerWaalsContact O-N 3.12Å; N557-N559 PolarHBondContact OD1-N 2.81Å; N559-M566 WeakPolarHBondContact O-CE 3.46Å; N559-M566 VanDerWaalsContact OD1-CA 3.24Å; N559-M566 WeakPolarHBondContact OD1-CA 3.41Å; N559-M566 WeakPolarHBondContact OD1-CG 3.26Å; N559-H567 PolarHBondContact ND2-O 2.85Å; N559-H567 PolarHBondContact OD1-N 2.92Å; N559-H567 PolarHBondContact OD1-O 2.8Å
560	S	96.3	Very high	94.3	Very high	16 Å²	16	36.7 Å²	36.7	11%	0.112	19%	0.194	C	C	.	.			trans	-83.4	145.8	-172.7	-166.2	0	0	0	0	112.9	N544 L562	N544-S560 WeakPolarHBondContact OD1-CB 3.29Å; S560-L562 VanDerWaalsContact C-N 3.27Å; S560-L562 PolarHBondContact OG-N 3.46Å
561	E	96.9	Very high	93.4	Very high	46 Å²	46	34 Å²	34	22%	0.215	19%	0.189	C	C	.	.	S	Bend	trans	-74.3	-18.2	168.8	-64.2	-175.3	-82.8	0	0	112.9	M566 P581 V582 A583 R693	E561-M566 HydrophobicContact CG-CE 3.79Å; E561-P581 HydrophobicContact CG-CB 4.1Å; E561-P581 WeakPolarHBondContact OE2-CA 3.21Å; E561-P581 WeakPolarHBondContact OE2-CB 3.16Å; E561-V582 PolarHBondContact OE2-N 3.23Å; E561-A583 HydrophobicContact CB-CB 4.37Å; E561-A583 HydrophobicContact CG-CB 4.45Å; E561-A583 WeakPolarHBondContact O-CA 3.05Å; E561-R693 HydrophobicContact CB-CG 4.12Å; E561-R693 VanDerWaalsContact CD-CD 3.48Å; E561-R693 VanDerWaalsContact CD-NH1 3.32Å; E561-R693 VanDerWaalsContact OE1-CD 3.29Å; E561-R693 WeakPolarHBondContact OE1-CD 3.2Å; E561-R693 IonicContact OE1-CZ 3.65Å; E561-R693 IonicContact OE1-NE 3.1Å; E561-R693 IonicContact OE1-NH1 3.32Å; E561-R693 PolarHBondContact OE1-NH1 2.86Å; E561-R693 IonicContact OE2-CZ 3.49Å; E561-R693 IonicContact OE2-NE 3.08Å; E561-R693 IonicContact OE2-NH1 2.8Å; E561-R693 PolarHBondContact OE2-NH1 2.92Å; E561-R693 VanDerWaalsContact OE2-NH1 3.11Å
562	L	97.5	Very high	92.8	Very high	46 Å²	46	36 Å²	36	24%	0.241	19%	0.193	C	C	.	.	S	Bend	trans	-97.7	-10.3	-168.8	-71	175.7	0	0	0	114.9	A373 N375 S560 R584 R693	A373-L562 HydrophobicContact CB-CD1 4.42Å; A373-L562 HydrophobicContact CB-CD2 3.86Å; N375-L562 PolarHBondContact N-O 2.84Å; S560-L562 VanDerWaalsContact C-N 3.27Å; S560-L562 PolarHBondContact OG-N 3.46Å; L562-R584 PolarHBondContact O-NE 3.16Å; L562-R584 PolarHBondContact O-NH2 2.9Å; L562-R584 VanDerWaalsContact O-NH2 3.12Å; L562-R693 HydrophobicContact CD2-CB 4.48Å; L562-R693 HydrophobicContact CD2-CG 3.67Å; L562-R693 HydrophobicContact CG-CG 4.36Å
563	Y	97.8	Very high	92.4	Very high	55 Å²	55	35.2 Å²	35.2	22%	0.216	18%	0.18	C	C	.	.	S	Bend	trans	-145.1	165.5	-174.4	-57.6	-90.3	0	0	0	109.5	G374 N375 L547	G374-Y563 WeakPolarHBondContact CA-OH 3.45Å; N375-Y563 HydrophobicContact CB-CD1 3.88Å; N375-Y563 HydrophobicContact CB-CE1 4.29Å; L547-Y563 HydrophobicContact CB-CD1 3.96Å; L547-Y563 HydrophobicContact CB-CE1 4.21Å; L547-Y563 HydrophobicContact CB-CG 4.39Å; L547-Y563 HydrophobicContact CD2-CD1 3.89Å; L547-Y563 HydrophobicContact CD2-CD2 3.64Å; L547-Y563 HydrophobicContact CD2-CE1 3.78Å; L547-Y563 HydrophobicContact CD2-CE2 3.53Å; L547-Y563 HydrophobicContact CD2-CG 3.82Å; L547-Y563 HydrophobicContact CG-CE1 4.48Å
564	G	97.4	Very high	92.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	18%	0.18	C	C	.	.	S	Bend	trans	63.9	-150	157.1	0	0	0	0	0	116.6	F377 S543 R584	F377-G564 VanDerWaalsContact CB-O 3.23Å; F377-G564 WeakPolarHBondContact CB-O 3.42Å; F377-G564 WeakPolarHBondContact CD1-O 3.32Å; F377-G564 VanDerWaalsContact CD2-CA 3.47Å; F377-G564 WeakPolarHBondContact CG-O 3.43Å; S543-G564 WeakPolarHBondContact O-CA 3.49Å; G564-R584 WeakPolarHBondContact O-CB 3.17Å
565	D	98.1	Very high	91.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.183	C	C	.	.			trans	-119.6	162.2	171.5	69.9	-51.5	0	0	0	111.8	F377 W448 S541 P542 S543 C585 S587	F377-D565 HydrophobicContact CE1-CB 4.01Å; F377-D565 HydrophobicContact CZ-CB 4.38Å; W448-D565 HydrophobicContact CH2-CB 4.19Å; S541-D565 PolarHBondContact OG-OD2 2.74Å; P542-D565 WeakPolarHBondContact CA-OD1 3.26Å; P542-D565 WeakPolarHBondContact CB-O 3.25Å; S543-D565 PolarHBondContact N-OD1 2.91Å; S543-D565 PolarHBondContact O-N 2.93Å; D565-C585 CarbonylContact C-O 3.56Å; D565-C585 WeakPolarHBondContact CA-O 3.27Å; D565-C585 HydrophobicContact CB-CB 3.88Å; D565-S587 VanDerWaalsContact OD2-CB 3.27Å; D565-S587 WeakPolarHBondContact OD2-CB 3.07Å; D565-S587 PolarHBondContact OD2-OG 3.06Å
566	M	97.4	Very high	91.3	Very high	10 Å²	10	39.1 Å²	39.1	5%	0.049	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.8	-171.7	163.8	175.3	-74.6	0	0	112	N559 E561 P581 A583 C585 I586 S587 E588	N559-M566 WeakPolarHBondContact O-CE 3.46Å; N559-M566 VanDerWaalsContact OD1-CA 3.24Å; N559-M566 WeakPolarHBondContact OD1-CA 3.41Å; N559-M566 WeakPolarHBondContact OD1-CG 3.26Å; E561-M566 HydrophobicContact CG-CE 3.79Å; M566-P581 HydrophobicContact CE-CB 4.41Å; M566-P581 HydrophobicContact SD-CB 3.74Å; M566-P581 HydrophobicContact SD-CG 3.54Å; M566-P581 VanDerWaalsContact SD-CG 3.54Å; M566-A583 HydrophobicContact CB-CB 4.11Å; M566-A583 HydrophobicContact CE-CB 4.12Å; M566-A583 HydrophobicContact SD-CB 3.74Å; M566-C585 PolarHBondContact N-O 3.12Å; M566-I586 HydrophobicContact CB-CD1 4.12Å; M566-I586 HydrophobicContact CG-CD1 4.06Å; M566-I586 CarbonylContact O-C 3.55Å; M566-I586 WeakPolarHBondContact O-CA 3.39Å; M566-I586 HydrophobicContact SD-CD1 3.93Å; M566-S587 PolarHBondContact O-N 2.85Å; M566-S587 PolarHBondContact O-OG 3.48Å; M566-E588 PolarHBondContact O-N 2.96Å
567	H	97.1	Very high	90.9	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.4	166.4	-71.4	-154.7	0	0	0	108.9	E493 S541 P542 N559 S587 E588	E493-H567 VanDerWaalsContact CD-ND1 3.33Å; E493-H567 VanDerWaalsContact CG-CE1 3.45Å; E493-H567 WeakPolarHBondContact CG-CE1 3.4Å; E493-H567 VanDerWaalsContact CG-ND1 3.34Å; E493-H567 WeakPolarHBondContact CG-ND1 3.13Å; E493-H567 IonicContact OE1-CE1 2.75Å; E493-H567 IonicContact OE1-CG 2.77Å; E493-H567 IonicContact OE1-ND1 2.87Å; E493-H567 PolarHBondContact OE1-ND1 2.97Å; S541-H567 VanDerWaalsContact C-NE2 3.28Å; S541-H567 PolarHBondContact O-CE1 3Å; S541-H567 VanDerWaalsContact O-CE1 3.26Å; S541-H567 PolarHBondContact O-NE2 2.89Å; S541-H567 PolarHBondContact OG-NE2 3.45Å; P542-H567 HydrophobicContact CG-CB 4.26Å; N559-H567 PolarHBondContact ND2-O 2.85Å; N559-H567 PolarHBondContact OD1-N 2.92Å; N559-H567 PolarHBondContact OD1-O 2.8Å; H567-S587 PolarHBondContact CD2-OG 3.47Å; H567-S587 PolarHBondContact NE2-OG 3Å; H567-E588 CarbonylContact C-O 3.49Å; H567-E588 WeakPolarHBondContact CA-O 3.44Å; H567-E588 HydrophobicContact CB-CB 4.13Å; H567-E588 IonicContact CE1-OE1 3.85Å; H567-E588 PolarHBondContact CE1-OE1 3.19Å; H567-E588 IonicContact CE1-OE2 3.52Å; H567-E588 IonicContact ND1-OE1 3.67Å; H567-E588 IonicContact ND1-OE2 3.07Å; H567-E588 IonicContact NE2-OE1 3.97Å
568	Y	95.1	Very high	90.4	Very high	34 Å²	34	41.3 Å²	41.3	13%	0.133	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	113.8	-175.3	179.8	-101.2	0	0	0	113.4	T570 I579 P581 E588 F589 W681	Y568-T570 HydrophobicContact CE1-CG2 4.17Å; Y568-I579 PolarHBondContact OH-O 3.24Å; Y568-I579 VanDerWaalsContact OH-O 3.09Å; Y568-P581 HydrophobicContact CD1-CG 4.49Å; Y568-P581 HydrophobicContact CD2-CG 3.59Å; Y568-P581 HydrophobicContact CE2-CG 3.9Å; Y568-P581 HydrophobicContact CG-CG 3.89Å; Y568-E588 PolarHBondContact N-O 2.77Å; Y568-F589 VanDerWaalsContact O-CA 3.26Å; Y568-F589 WeakPolarHBondContact O-CA 3.39Å; Y568-F589 WeakPolarHBondContact O-CB 3.26Å; Y568-W681 HydrophobicContact CD1-CH2 4.28Å; Y568-W681 HydrophobicContact CD1-CZ2 4.26Å
569	Y	88.9	Confident	90.1	Very high	50 Å²	50	43.3 Å²	43.3	20%	0.196	20%	0.202	C	C	.	.			trans	-133.8	143.4	175.2	-61.9	-81.3	0	0	0	109.9	E588 W702	Y569-E588 HydrophobicContact CE2-CB 4.2Å; Y569-E588 PolarHBondContact OH-OE2 2.83Å; Y569-W702 HydrophobicContact CE1-CB 4.19Å; Y569-W702 WeakPolarHBondContact OH-CB 3.37Å
570	T	83.4	Confident	90	Very high	22 Å²	22	41.7 Å²	41.7	14%	0.135	19%	0.193	C	C	.	.			trans	-149.9	155.2	-178.5	-169.8	0	0	0	0	112.4	Y568 R572 M574	Y568-T570 HydrophobicContact CE1-CG2 4.17Å; T570-R572 HydrophobicContact CG2-CB 4.32Å; T570-R572 PolarHBondContact OG1-N 2.84Å; T570-M574 HydrophobicContact CG2-CE 4.25Å; T570-M574 HydrophobicContact CG2-CG 3.85Å; T570-M574 HydrophobicContact CG2-SD 4.35Å
571	V	74	Confident	89.9	Confident	79 Å²	79	41.7 Å²	41.7	48%	0.479	19%	0.193	S	C	.	.	S	Bend	trans	-86.9	-12.9	167.9	-63.6	0	0	0	0	113	M1491	V571-M1491 HydrophobicContact CG1-CE 3.62Å; V571-M1491 HydrophobicContact CG1-CG 4.26Å; V571-M1491 HydrophobicContact CG1-SD 3.31Å; V571-M1491 WeakPolarHBondContact CG1-SD 3.16Å
572	R	81.2	Confident	89.9	Confident	121 Å²	121	40 Å²	40	46%	0.457	19%	0.186	S	C	.	.	S	Bend	trans	-71.5	160.3	-178.8	-59.3	-177.2	-170.2	-154.7	1.2	110.2	T570 M574 I579	T570-R572 HydrophobicContact CG2-CB 4.32Å; T570-R572 PolarHBondContact OG1-N 2.84Å; R572-M574 WeakPolarHBondContact O-CG 3.37Å; R572-M574 PolarHBondContact O-N 2.99Å; R572-M574 VanDerWaalsContact O-N 3.12Å; R572-I579 HydrophobicContact CB-CD1 3.68Å
573	D	84.3	Confident	89.9	Confident	24 Å²	24	37.8 Å²	37.8	13%	0.128	17%	0.174	C	C	.	.			trans	-65.7	111.9	179.5	175.9	29.8	0	0	0	112	W575 I576 I579 H637 Y669	D573-W575 PolarHBondContact O-N 2.04Å; D573-W575 PolarHBondContact OD1-N 2.91Å; D573-I576 HydrophobicContact CB-CD1 3.99Å; D573-I576 HydrophobicContact CB-CG1 4.18Å; D573-I576 PolarHBondContact O-N 3.08Å; D573-I576 WeakPolarHBondContact OD2-CG1 3.36Å; D573-I579 VanDerWaalsContact O-CD1 3.23Å; D573-I579 WeakPolarHBondContact O-CD1 3.47Å; D573-H637 IonicContact OD1-CD2 3.89Å; D573-H637 IonicContact OD1-NE2 2.97Å; D573-H637 PolarHBondContact OD1-NE2 3.11Å; D573-H637 IonicContact OD2-CD2 2.67Å; D573-H637 IonicContact OD2-CE1 3.86Å; D573-H637 PolarHBondContact OD2-CE1 2.69Å; D573-H637 IonicContact OD2-NE2 2.67Å; D573-H637 PolarHBondContact OD2-NE2 3.15Å; D573-Y669 WeakPolarHBondContact OD1-CE2 3.23Å; D573-Y669 PolarHBondContact OD1-OH 2.91Å
574	M	86.4	Confident	89.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	5.3	-173.5	-53.5	179.8	81.3	0	0	113.5	T570 R572 H580 F591 Y669 A673 M677	T570-M574 HydrophobicContact CG2-CE 4.25Å; T570-M574 HydrophobicContact CG2-CG 3.85Å; T570-M574 HydrophobicContact CG2-SD 4.35Å; R572-M574 WeakPolarHBondContact O-CG 3.37Å; R572-M574 PolarHBondContact O-N 2.99Å; R572-M574 VanDerWaalsContact O-N 3.12Å; M574-H580 PolarHBondContact O-CE1 3.04Å; M574-F591 HydrophobicContact SD-CB 3.86Å; M574-F591 HydrophobicContact SD-CD2 3.52Å; M574-F591 VanDerWaalsContact SD-CD2 3.52Å; M574-F591 HydrophobicContact SD-CE2 4.47Å; M574-F591 HydrophobicContact SD-CG 4.04Å; M574-Y669 PolarHBondContact N-OH 2.92Å; M574-A673 HydrophobicContact CB-CB 3.8Å; M574-M677 HydrophobicContact CE-CE 3.57Å; M574-M677 HydrophobicContact CE-SD 3.49Å; M574-M677 WeakPolarHBondContact CE-SD 3.34Å
575	W	87.9	Confident	89.9	Confident	44 Å²	44	35.1 Å²	35.1	17%	0.167	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-12.5	167.9	-73	29.2	0	0	0	112.7	D573 S577 H637 F638 Y669 I672 T676 L832	D573-W575 PolarHBondContact O-N 2.04Å; D573-W575 PolarHBondContact OD1-N 2.91Å; W575-S577 PolarHBondContact O-N 3.36Å; W575-H637 AromaticContact CD2-CD2 3.79Å; W575-H637 AromaticContact CD2-CE1 3.88Å; W575-H637 AromaticContact CD2-CG 3.81Å; W575-H637 AromaticContact CD2-ND1 3.91Å; W575-H637 AromaticContact CD2-NE2 3.79Å; W575-H637 HydrophobicContact CE3-CB 4.11Å; W575-H637 AromaticContact CE3-CD2 3.89Å; W575-H637 AromaticContact CE3-CE1 3.5Å; W575-H637 VanDerWaalsContact CE3-CE1 3.5Å; W575-H637 AromaticContact CE3-CG 3.45Å; W575-H637 VanDerWaalsContact CE3-CG 3.45Å; W575-H637 AromaticContact CE3-ND1 3.21Å; W575-H637 AromaticContact CE3-NE2 3.88Å; W575-H637 AromaticContact CG-NE2 3.77Å; W575-H637 HydrophobicContact CH2-CB 3.73Å; W575-H637 AromaticContact CH2-CG 3.98Å; W575-H637 HydrophobicContact CZ2-CB 4.22Å; W575-H637 HydrophobicContact CZ3-CB 3.68Å; W575-H637 AromaticContact CZ3-CG 3.55Å; W575-H637 AromaticContact CZ3-ND1 3.51Å; W575-F638 HydrophobicContact CH2-CE1 4.09Å; W575-F638 AromaticContact CH2-CE2 3.98Å; W575-F638 HydrophobicContact CH2-CE2 3.98Å; W575-F638 AromaticContact CH2-CZ 3.44Å; W575-F638 HydrophobicContact CH2-CZ 3.44Å; W575-F638 VanDerWaalsContact CH2-CZ 3.44Å; W575-F638 AromaticContact CZ2-CE2 3.83Å; W575-F638 HydrophobicContact CZ2-CE2 3.83Å; W575-F638 AromaticContact CZ2-CZ 3.6Å; W575-F638 HydrophobicContact CZ2-CZ 3.6Å; W575-Y669 AromaticContact CD1-CD2 3.87Å; W575-Y669 AromaticContact CD1-CE2 3.32Å; W575-Y669 AromaticContact CD1-CZ 3.6Å; W575-Y669 HydrophobicContact CD2-CE2 4.3Å; W575-Y669 AromaticContact CE2-CD2 3.65Å; W575-Y669 AromaticContact CE2-CE2 3.81Å; W575-Y669 AromaticContact CG-CE2 4Å; W575-Y669 HydrophobicContact CG-CE2 4Å; W575-Y669 AromaticContact CZ2-CD2 4Å; W575-Y669 HydrophobicContact CZ2-CD2 4Å; W575-Y669 AromaticContact NE1-CD2 3.22Å; W575-Y669 AromaticContact NE1-CE2 3.2Å; W575-Y669 AromaticContact NE1-CG 3.79Å; W575-Y669 AromaticContact NE1-CZ 3.77Å; W575-Y669 PolarHBondContact NE1-O 3.36Å; W575-Y669 VanDerWaalsContact NE1-O 3.16Å; W575-I672 HydrophobicContact CD2-CB 4.28Å; W575-I672 HydrophobicContact CD2-CG2 3.56Å; W575-I672 HydrophobicContact CE3-CG2 3.92Å; W575-I672 HydrophobicContact CG-CG2 4.11Å; W575-I672 HydrophobicContact CH2-CB 4.26Å; W575-I672 HydrophobicContact CH2-CD1 3.48Å; W575-I672 VanDerWaalsContact CH2-CD1 3.48Å; W575-I672 HydrophobicContact CH2-CG1 4.46Å; W575-I672 HydrophobicContact CH2-CG2 4.02Å; W575-I672 HydrophobicContact CZ2-CB 3.57Å; W575-I672 HydrophobicContact CZ2-CD1 3.48Å; W575-I672 VanDerWaalsContact CZ2-CD1 3.48Å; W575-I672 HydrophobicContact CZ2-CG1 4.1Å; W575-I672 HydrophobicContact CZ2-CG2 3.65Å; W575-I672 HydrophobicContact CZ3-CD1 4.35Å; W575-I672 HydrophobicContact CZ3-CG2 4.14Å; W575-T676 WeakPolarHBondContact O-CG2 3.38Å; W575-L832 HydrophobicContact CH2-CD1 4.43Å
576	I	84.3	Confident	89.9	Confident	58 Å²	58	35.1 Å²	35.1	30%	0.297	16%	0.163	S	C	.	.			trans	-87	90.1	-176.7	-52.2	179.6	0	0	0	110.2	D573 Y578 I579	D573-I576 HydrophobicContact CB-CD1 3.99Å; D573-I576 HydrophobicContact CB-CG1 4.18Å; D573-I576 PolarHBondContact O-N 3.08Å; D573-I576 WeakPolarHBondContact OD2-CG1 3.36Å; I576-Y578 VanDerWaalsContact C-N 3.26Å; I576-Y578 HydrophobicContact CG2-CD1 3.69Å; I576-Y578 HydrophobicContact CG2-CD2 4.33Å; I576-Y578 HydrophobicContact CG2-CE1 3.24Å; I576-Y578 HydrophobicContact CG2-CE2 3.94Å; I576-Y578 HydrophobicContact CG2-CG 4.21Å; I576-Y578 PolarHBondContact O-N 3.09Å; I576-I579 HydrophobicContact CB-CG2 4.09Å; I576-I579 HydrophobicContact CG2-CG2 3.82Å; I576-I579 WeakPolarHBondContact O-CG1 3.42Å; I576-I579 PolarHBondContact O-N 3.16Å
577	S	82.7	Confident	90	Very high	34 Å²	34	34.6 Å²	34.6	24%	0.238	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-46.9	-38.7	-171.8	58.1	0	0	0	0	116.4	W575 I579 H580	W575-S577 PolarHBondContact O-N 3.36Å; S577-I579 VanDerWaalsContact C-N 3.27Å; S577-I579 PolarHBondContact O-N 2.84Å; S577-H580 PolarHBondContact O-CD2 3.47Å; S577-H580 VanDerWaalsContact O-CD2 3.24Å; S577-H580 PolarHBondContact O-N 2.99Å
578	Y	83.2	Confident	90	Very high	179 Å²	179	34.5 Å²	34.5	70%	0.702	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-75	-6.3	-175.5	66.5	-102.8	0	0	0	115	I576 H580	I576-Y578 VanDerWaalsContact C-N 3.26Å; I576-Y578 HydrophobicContact CG2-CD1 3.69Å; I576-Y578 HydrophobicContact CG2-CD2 4.33Å; I576-Y578 HydrophobicContact CG2-CE1 3.24Å; I576-Y578 HydrophobicContact CG2-CE2 3.94Å; I576-Y578 HydrophobicContact CG2-CG 4.21Å; I576-Y578 PolarHBondContact O-N 3.09Å; Y578-H580 VanDerWaalsContact C-N 3.35Å
579	I	86.8	Confident	90.1	Very high	42 Å²	42	32.9 Å²	32.9	22%	0.215	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-85.9	-9.3	174.5	82.4	179.5	0	0	0	113	Y568 R572 D573 I576 S577	Y568-I579 PolarHBondContact OH-O 3.24Å; Y568-I579 VanDerWaalsContact OH-O 3.09Å; R572-I579 HydrophobicContact CB-CD1 3.68Å; D573-I579 VanDerWaalsContact O-CD1 3.23Å; D573-I579 WeakPolarHBondContact O-CD1 3.47Å; I576-I579 HydrophobicContact CB-CG2 4.09Å; I576-I579 HydrophobicContact CG2-CG2 3.82Å; I576-I579 WeakPolarHBondContact O-CG1 3.42Å; I576-I579 PolarHBondContact O-N 3.16Å; S577-I579 VanDerWaalsContact C-N 3.27Å; S577-I579 PolarHBondContact O-N 2.84Å
580	H	93.2	Very high	90.3	Very high	6 Å²	6	30.7 Å²	30.7	3%	0.028	15%	0.147	C	C	.	.	S	Bend	trans	-80.1	135.9	-176.4	-55.8	-32	0	0	0	110.9	M574 S577 Y578 M677 H680 W681	M574-H580 PolarHBondContact O-CE1 3.04Å; S577-H580 PolarHBondContact O-CD2 3.47Å; S577-H580 VanDerWaalsContact O-CD2 3.24Å; S577-H580 PolarHBondContact O-N 2.99Å; Y578-H580 VanDerWaalsContact C-N 3.35Å; H580-M677 VanDerWaalsContact CE1-CG 3.45Å; H580-M677 WeakPolarHBondContact CE1-CG 3.42Å; H580-M677 WeakPolarHBondContact NE2-CG 2.97Å; H580-H680 VanDerWaalsContact CB-CD2 3.5Å; H580-H680 WeakPolarHBondContact CB-CD2 3.44Å; H580-H680 PolarHBondContact O-NE2 3.21Å; H580-H680 VanDerWaalsContact O-NE2 3.08Å; H580-W681 HydrophobicContact CB-CZ2 4.44Å
581	P	94.9	Very high	90.6	Very high	16 Å²	16	30.2 Å²	30.2	10%	0.104	14%	0.143	C	C	.	.			trans	-63.8	163.3	179.5	28.3	-36.6	0	0	0	111.7	E561 M566 Y568 H680 W681	E561-P581 HydrophobicContact CG-CB 4.1Å; E561-P581 WeakPolarHBondContact OE2-CA 3.21Å; E561-P581 WeakPolarHBondContact OE2-CB 3.16Å; M566-P581 HydrophobicContact CE-CB 4.41Å; M566-P581 HydrophobicContact SD-CB 3.74Å; M566-P581 HydrophobicContact SD-CG 3.54Å; M566-P581 VanDerWaalsContact SD-CG 3.54Å; Y568-P581 HydrophobicContact CD1-CG 4.49Å; Y568-P581 HydrophobicContact CD2-CG 3.59Å; Y568-P581 HydrophobicContact CE2-CG 3.9Å; Y568-P581 HydrophobicContact CG-CG 3.89Å; P581-H680 PolarHBondContact O-NE2 3.14Å; P581-H680 VanDerWaalsContact O-NE2 3.07Å; P581-W681 HydrophobicContact CG-CZ2 4.32Å; P581-W681 PolarHBondContact O-NE1 3.37Å
582	V	96.6	Very high	91.6	Very high	10 Å²	10	26.7 Å²	26.7	6%	0.061	12%	0.121	C	C	.	.			trans	-116.7	47.6	-174	-167.2	0	0	0	0	109.1	E561 W684 R693 G694	E561-V582 PolarHBondContact OE2-N 3.23Å; V582-W684 HydrophobicContact CG1-CB 4.41Å; V582-W684 HydrophobicContact CG1-CD2 3.39Å; V582-W684 HydrophobicContact CG1-CE3 3.51Å; V582-W684 HydrophobicContact CG1-CG 3.77Å; V582-W684 HydrophobicContact CG1-CH2 4.38Å; V582-W684 HydrophobicContact CG1-CZ2 4.26Å; V582-W684 HydrophobicContact CG1-CZ3 4.03Å; V582-R693 HydrophobicContact CB-CB 4.02Å; V582-R693 HydrophobicContact CG1-CB 4.15Å; V582-R693 WeakPolarHBondContact O-CB 3.09Å; V582-G694 WeakPolarHBondContact O-CA 3.48Å; V582-G694 PolarHBondContact O-N 2.62Å
583	A	96.8	Very high	92.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.			trans	-80.2	175.7	-172.7	0	0	0	0	0	114.4	E561 M566 I586 T696	E561-A583 HydrophobicContact CB-CB 4.37Å; E561-A583 HydrophobicContact CG-CB 4.45Å; E561-A583 WeakPolarHBondContact O-CA 3.05Å; M566-A583 HydrophobicContact CB-CB 4.11Å; M566-A583 HydrophobicContact CE-CB 4.12Å; M566-A583 HydrophobicContact SD-CB 3.74Å; A583-I586 HydrophobicContact CB-CD1 3.79Å; A583-T696 WeakPolarHBondContact O-CA 3.48Å; A583-T696 VanDerWaalsContact O-CB 3.26Å; A583-T696 WeakPolarHBondContact O-CB 3.25Å; A583-T696 VanDerWaalsContact O-CG2 3.29Å; A583-T696 WeakPolarHBondContact O-CG2 3.41Å; A583-T696 PolarHBondContact O-OG1 3.19Å
584	R	98	Very high	92.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-78.4	-38.6	179.7	-48.8	-53.4	-170.5	-152.6	-8.8	113.8	A373 N375 F377 L562 G564 G692 G694 T696 M697	A373-R584 PolarHBondContact O-NH2 2.77Å; N375-R584 PolarHBondContact O-NE 3.48Å; F377-R584 HydrophobicContact CB-CB 3.75Å; F377-R584 HydrophobicContact CB-CG 4.34Å; L562-R584 PolarHBondContact O-NE 3.16Å; L562-R584 PolarHBondContact O-NH2 2.9Å; L562-R584 VanDerWaalsContact O-NH2 3.12Å; G564-R584 WeakPolarHBondContact O-CB 3.17Å; R584-G692 PolarHBondContact NH1-O 3.31Å; R584-G692 PolarHBondContact NH2-O 2.93Å; R584-G694 WeakPolarHBondContact CD-O 3.35Å; R584-G694 VanDerWaalsContact NH1-N 3.19Å; R584-G694 PolarHBondContact NH1-O 3.48Å; R584-T696 CarbonylContact O-C 3.52Å; R584-T696 VanDerWaalsContact O-CA 3.29Å; R584-T696 WeakPolarHBondContact O-CA 3.29Å; R584-M697 PolarHBondContact O-N 3.36Å
585	C	98.3	Very high	93.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.			trans	-149.1	132.7	179.6	169.2	0	0	0	0	108.2	F377 D565 M566 C698	F377-C585 HydrophobicContact CD1-CB 3.7Å; F377-C585 HydrophobicContact CE1-CB 4.12Å; D565-C585 CarbonylContact C-O 3.56Å; D565-C585 WeakPolarHBondContact CA-O 3.27Å; D565-C585 HydrophobicContact CB-CB 3.88Å; M566-C585 PolarHBondContact N-O 3.12Å; C585-C698 VanDerWaalsContact C-SG 3.57Å; C585-C698 WeakPolarHBondContact CA-SG 3.07Å; C585-C698 HydrophobicContact CB-CB 3.47Å; C585-C698 VanDerWaalsContact CB-CB 3.47Å; C585-C698 WeakPolarHBondContact CB-SG 3.07Å; C585-C698 WeakPolarHBondContact SG-CB 3.44Å; C585-C698 CovalentContact SG-SG 2.03Å; C585-C698 PolarHBondContact SG-SG 2.86Å
586	I	98.3	Very high	93.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	100.3	170.2	-44	-66.3	0	0	0	107.8	M566 A583 E588 F589 W681 C698 T699 L700	M566-I586 HydrophobicContact CB-CD1 4.12Å; M566-I586 HydrophobicContact CG-CD1 4.06Å; M566-I586 CarbonylContact O-C 3.55Å; M566-I586 WeakPolarHBondContact O-CA 3.39Å; M566-I586 HydrophobicContact SD-CD1 3.93Å; A583-I586 HydrophobicContact CB-CD1 3.79Å; I586-E588 VanDerWaalsContact CG2-O 3.28Å; I586-E588 WeakPolarHBondContact CG2-O 3.49Å; I586-F589 HydrophobicContact CB-CD1 4.25Å; I586-F589 HydrophobicContact CG2-CB 3.91Å; I586-F589 HydrophobicContact CG2-CD1 3.55Å; I586-F589 HydrophobicContact CG2-CE1 4.49Å; I586-F589 HydrophobicContact CG2-CG 4.1Å; I586-W681 HydrophobicContact CB-CE3 4.44Å; I586-W681 HydrophobicContact CB-CZ3 4.4Å; I586-W681 HydrophobicContact CD1-CD2 4.45Å; I586-W681 HydrophobicContact CD1-CZ2 4.04Å; I586-W681 HydrophobicContact CG1-CD2 3.65Å; I586-W681 HydrophobicContact CG1-CE3 3.99Å; I586-W681 HydrophobicContact CG1-CG 4.08Å; I586-W681 HydrophobicContact CG1-CH2 4.19Å; I586-W681 HydrophobicContact CG1-CZ2 3.88Å; I586-W681 HydrophobicContact CG1-CZ3 4.22Å; I586-W681 HydrophobicContact CG2-CH2 4Å; I586-W681 HydrophobicContact CG2-CZ2 4.35Å; I586-W681 HydrophobicContact CG2-CZ3 4.17Å; I586-C698 VanDerWaalsContact C-SG 3.55Å; I586-C698 PolarHBondContact N-O 2.86Å; I586-C698 PolarHBondContact N-SG 2.71Å; I586-C698 PolarHBondContact O-SG 3.07Å; I586-C698 VanDerWaalsContact O-SG 3.39Å; I586-T699 CarbonylContact O-C 3.48Å; I586-T699 WeakPolarHBondContact O-CA 3.34Å; I586-L700 PolarHBondContact O-N 2.75Å
587	S	98.3	Very high	93.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-22.1	-178.4	39.6	0	0	0	0	112.6	N392 D565 M566 H567 L700	N392-S587 PolarHBondContact ND2-O 3.29Å; D565-S587 VanDerWaalsContact OD2-CB 3.27Å; D565-S587 WeakPolarHBondContact OD2-CB 3.07Å; D565-S587 PolarHBondContact OD2-OG 3.06Å; M566-S587 PolarHBondContact O-N 2.85Å; M566-S587 PolarHBondContact O-OG 3.48Å; H567-S587 PolarHBondContact CD2-OG 3.47Å; H567-S587 PolarHBondContact NE2-OG 3Å; S587-L700 CarbonylContact C-O 3.44Å; S587-L700 WeakPolarHBondContact O-CB 3.36Å
588	E	98.3	Very high	94.3	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.028	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.6	164	-68.2	-170.1	-164.7	0	0	112.8	R424 N492 M566 H567 Y568 Y569 I586 L700 W702	R424-E588 IonicContact CZ-OE1 2.71Å; R424-E588 IonicContact NH1-OE1 2.65Å; R424-E588 PolarHBondContact NH1-OE1 3.03Å; R424-E588 IonicContact NH2-OE1 2.8Å; N492-E588 PolarHBondContact OD1-OE1 3.33Å; N492-E588 VanDerWaalsContact OD1-OE1 3.08Å; M566-E588 PolarHBondContact O-N 2.96Å; H567-E588 CarbonylContact C-O 3.49Å; H567-E588 WeakPolarHBondContact CA-O 3.44Å; H567-E588 HydrophobicContact CB-CB 4.13Å; H567-E588 IonicContact CE1-OE1 3.85Å; H567-E588 PolarHBondContact CE1-OE1 3.19Å; H567-E588 IonicContact CE1-OE2 3.52Å; H567-E588 IonicContact ND1-OE1 3.67Å; H567-E588 IonicContact ND1-OE2 3.07Å; H567-E588 IonicContact NE2-OE1 3.97Å; Y568-E588 PolarHBondContact N-O 2.77Å; Y569-E588 HydrophobicContact CE2-CB 4.2Å; Y569-E588 PolarHBondContact OH-OE2 2.83Å; I586-E588 VanDerWaalsContact CG2-O 3.28Å; I586-E588 WeakPolarHBondContact CG2-O 3.49Å; E588-L700 WeakPolarHBondContact CA-O 3.33Å; E588-W702 HydrophobicContact CG-CE3 3.9Å; E588-W702 WeakPolarHBondContact OE1-CZ3 3.49Å
589	F	96.6	Very high	94.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	149	162.6	64.4	-81	0	0	0	109.2	Y568 I586 M677 V678 W681 L700 Y701 W702	Y568-F589 VanDerWaalsContact O-CA 3.26Å; Y568-F589 WeakPolarHBondContact O-CA 3.39Å; Y568-F589 WeakPolarHBondContact O-CB 3.26Å; I586-F589 HydrophobicContact CB-CD1 4.25Å; I586-F589 HydrophobicContact CG2-CB 3.91Å; I586-F589 HydrophobicContact CG2-CD1 3.55Å; I586-F589 HydrophobicContact CG2-CE1 4.49Å; I586-F589 HydrophobicContact CG2-CG 4.1Å; F589-M677 HydrophobicContact CD2-CB 4.46Å; F589-M677 HydrophobicContact CD2-CE 3.63Å; F589-M677 HydrophobicContact CD2-SD 3.69Å; F589-M677 HydrophobicContact CE2-CB 4.31Å; F589-M677 HydrophobicContact CE2-CE 4.02Å; F589-M677 HydrophobicContact CE2-SD 4.37Å; F589-M677 HydrophobicContact CG-SD 4.46Å; F589-V678 HydrophobicContact CE1-CG2 4.43Å; F589-V678 HydrophobicContact CE2-CG2 3.95Å; F589-V678 HydrophobicContact CZ-CG2 3.42Å; F589-V678 VanDerWaalsContact CZ-CG2 3.42Å; F589-W681 HydrophobicContact CB-CH2 3.89Å; F589-W681 HydrophobicContact CB-CZ3 4.19Å; F589-W681 HydrophobicContact CD1-CE3 4.47Å; F589-W681 HydrophobicContact CD1-CH2 4.1Å; F589-W681 AromaticContact CD1-CZ3 3.56Å; F589-W681 HydrophobicContact CD1-CZ3 3.56Å; F589-W681 AromaticContact CD2-CH2 4Å; F589-W681 HydrophobicContact CD2-CH2 4Å; F589-W681 AromaticContact CD2-CZ3 3.62Å; F589-W681 HydrophobicContact CD2-CZ3 3.62Å; F589-W681 HydrophobicContact CE1-CE3 4.32Å; F589-W681 AromaticContact CE1-CZ3 3.71Å; F589-W681 HydrophobicContact CE1-CZ3 3.71Å; F589-W681 AromaticContact CE2-CZ3 3.79Å; F589-W681 HydrophobicContact CE2-CZ3 3.79Å; F589-W681 AromaticContact CG-CH2 3.71Å; F589-W681 HydrophobicContact CG-CH2 3.71Å; F589-W681 AromaticContact CG-CZ3 3.49Å; F589-W681 HydrophobicContact CG-CZ3 3.49Å; F589-W681 VanDerWaalsContact CG-CZ3 3.49Å; F589-W681 HydrophobicContact CZ-CE3 4.43Å; F589-W681 AromaticContact CZ-CZ3 3.82Å; F589-W681 HydrophobicContact CZ-CZ3 3.82Å; F589-L700 WeakPolarHBondContact CD1-O 3.5Å; F589-Y701 HydrophobicContact CZ-CD1 4.49Å; F589-Y701 CarbonylContact O-C 3.54Å; F589-Y701 WeakPolarHBondContact O-CA 3.48Å; F589-Y701 WeakPolarHBondContact O-CB 3.07Å; F589-W702 PolarHBondContact O-N 2.72Å
590	G	92.4	Very high	95.2	Very high	4 Å²	4	5.9 Å²	5.9	4%	0.041	3%	0.032	C	C	.	.			trans	-175.6	171	175.7	0	0	0	0	0	116.5	Y674	G590-Y674 VanDerWaalsContact CA-OH 3.27Å; G590-Y674 WeakPolarHBondContact CA-OH 3.39Å
591	F	90.6	Very high	95.1	Very high	11 Å²	11	10 Å²	10	5%	0.048	5%	0.051	C	C	.	.			trans	-138.1	145	173.1	-166.5	-100.7	0	0	0	109.7	M574 M630 N633 Y669 Q670 Y674	M574-F591 HydrophobicContact SD-CB 3.86Å; M574-F591 HydrophobicContact SD-CD2 3.52Å; M574-F591 VanDerWaalsContact SD-CD2 3.52Å; M574-F591 HydrophobicContact SD-CE2 4.47Å; M574-F591 HydrophobicContact SD-CG 4.04Å; F591-M630 HydrophobicContact CE1-CG 4.02Å; F591-M630 HydrophobicContact CZ-CG 4.19Å; F591-N633 WeakPolarHBondContact CE2-ND2 3.34Å; F591-N633 HydrophobicContact CZ-CB 3.96Å; F591-N633 VanDerWaalsContact CZ-ND2 3.35Å; F591-N633 WeakPolarHBondContact CZ-ND2 3.4Å; F591-Y669 AromaticContact CD1-CD1 3.55Å; F591-Y669 HydrophobicContact CD1-CD1 3.55Å; F591-Y669 AromaticContact CD1-CE1 3.82Å; F591-Y669 HydrophobicContact CD1-CE1 3.82Å; F591-Y669 HydrophobicContact CD2-CE1 4.27Å; F591-Y669 AromaticContact CE1-CD1 3.42Å; F591-Y669 HydrophobicContact CE1-CD1 3.42Å; F591-Y669 VanDerWaalsContact CE1-CD1 3.42Å; F591-Y669 AromaticContact CE1-CE1 3.73Å; F591-Y669 HydrophobicContact CE1-CE1 3.73Å; F591-Y669 HydrophobicContact CE2-CE1 4.21Å; F591-Y669 HydrophobicContact CG-CD1 4.26Å; F591-Y669 HydrophobicContact CG-CE1 4.08Å; F591-Y669 HydrophobicContact CZ-CD1 4.04Å; F591-Y669 AromaticContact CZ-CE1 3.93Å; F591-Y669 HydrophobicContact CZ-CE1 3.93Å; F591-Q670 PolarHBondContact O-NE2 2.85Å; F591-Y674 HydrophobicContact CB-CE1 4.03Å; F591-Y674 VanDerWaalsContact N-CE1 3.33Å; F591-Y674 PolarHBondContact N-OH 2.95Å; F591-Y674 PolarHBondContact O-OH 3.48Å
592	Q	93.8	Very high	95.1	Very high	5 Å²	5	12.3 Å²	12.3	2%	0.023	7%	0.065	C	C	.	.			trans	-83.3	147.8	-174.8	-146.9	-165.3	59.3	0	0	111.9	M630 S712 W713	Q592-M630 HydrophobicContact CB-SD 4.37Å; Q592-M630 VanDerWaalsContact OE1-CE 3.31Å; Q592-S712 VanDerWaalsContact CG-CA 3.45Å; Q592-S712 WeakPolarHBondContact CG-O 3.34Å; Q592-W713 HydrophobicContact CB-CD2 4.47Å; Q592-W713 HydrophobicContact CG-CD2 4.16Å; Q592-W713 HydrophobicContact CG-CE3 4.28Å
593	S	96.2	Very high	95	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-135	166.3	169.8	91.6	0	0	0	0	111.4	P711 S712 K723	S593-P711 WeakPolarHBondContact O-CA 3.26Å; S593-S712 PolarHBondContact N-O 3.4Å; S593-S712 PolarHBondContact O-N 3.41Å; S593-K723 WeakPolarHBondContact OG-CD 3.4Å; S593-K723 WeakPolarHBondContact OG-CE 3.41Å; S593-K723 PolarHBondContact OG-NZ 3.05Å
594	L	96.6	Very high	94.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.			trans	-76	149	165.8	-58.5	179.9	0	0	0	111.8	F612 M617 M630 L659 W662 V663 T666 Q667 P711	L594-F612 HydrophobicContact CD1-CD2 3.99Å; L594-F612 HydrophobicContact CD1-CE2 4.14Å; L594-M617 HydrophobicContact CD2-CE 4.23Å; L594-M617 HydrophobicContact CD2-SD 3.98Å; L594-M630 HydrophobicContact CD2-CE 4.26Å; L594-L659 HydrophobicContact CD1-CD1 3.84Å; L594-W662 HydrophobicContact CD1-CB 3.94Å; L594-V663 HydrophobicContact CB-CB 4.5Å; L594-V663 HydrophobicContact CB-CG2 3.92Å; L594-V663 HydrophobicContact CD1-CG2 4.02Å; L594-T666 PolarHBondContact N-OG1 2.97Å; L594-Q667 PolarHBondContact O-NE2 2.57Å; L594-P711 HydrophobicContact CD2-CB 4.14Å; L594-P711 HydrophobicContact CD2-CG 3.87Å
595	P	95.7	Very high	94.5	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	8%	0.076	C	C	.	.			trans	-75.3	174.2	164.9	35.3	-36.7	0	0	0	110.7	T599 L600 V663 A710 D717	P595-T599 HydrophobicContact CB-CG2 4.28Å; P595-L600 HydrophobicContact CG-CD1 4.36Å; P595-L600 HydrophobicContact CG-CD2 3.87Å; P595-L600 HydrophobicContact CG-CG 4.01Å; P595-V663 WeakPolarHBondContact O-CG1 3.29Å; P595-V663 WeakPolarHBondContact O-CG2 3.37Å; P595-A710 WeakPolarHBondContact CD-O 3.39Å; P595-A710 WeakPolarHBondContact CG-O 3.41Å; P595-D717 HydrophobicContact CB-CB 4.18Å
596	F	93.9	Very high	94	Very high	11 Å²	11	18.7 Å²	18.7	5%	0.048	10%	0.099	C	C	.	.			trans	-69.8	158	-179.9	-69.4	-82	0	0	0	113.4	E598 T599 L600 V663 D717 K721 W722 K723 W871	F596-E598 VanDerWaalsContact C-N 3.34Å; F596-E598 WeakPolarHBondContact CB-OE2 3.46Å; F596-E598 PolarHBondContact O-N 3.33Å; F596-T599 WeakPolarHBondContact O-CB 3.43Å; F596-T599 PolarHBondContact O-N 3.18Å; F596-T599 VanDerWaalsContact O-N 3.1Å; F596-L600 PolarHBondContact O-N 3.23Å; F596-V663 HydrophobicContact CD1-CG1 4.21Å; F596-D717 WeakPolarHBondContact CD2-OD2 3.42Å; F596-D717 PolarHBondContact N-OD2 3.31Å; F596-K721 HydrophobicContact CB-CD 4.12Å; F596-K721 HydrophobicContact CD2-CB 3.58Å; F596-K721 HydrophobicContact CD2-CD 3.98Å; F596-K721 HydrophobicContact CD2-CG 4.39Å; F596-K721 HydrophobicContact CE2-CB 3.77Å; F596-K721 HydrophobicContact CG-CD 4.09Å; F596-W722 WeakPolarHBondContact CE2-O 3.25Å; F596-W722 WeakPolarHBondContact CZ-O 3.45Å; F596-K723 HydrophobicContact CE2-CG 4.18Å; F596-W871 HydrophobicContact CE1-CH2 4.37Å; F596-W871 AromaticContact CE1-CZ2 3.53Å; F596-W871 HydrophobicContact CE1-CZ2 3.53Å; F596-W871 AromaticContact CZ-CH2 3.85Å; F596-W871 HydrophobicContact CZ-CH2 3.85Å; F596-W871 AromaticContact CZ-CZ2 3.43Å; F596-W871 HydrophobicContact CZ-CZ2 3.43Å; F596-W871 VanDerWaalsContact CZ-CZ2 3.43Å
597	V	91.4	Very high	93.1	Very high	22 Å²	22	25.4 Å²	25.4	13%	0.133	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-38.9	-176.9	178.6	0	0	0	0	110.9	T599 L600 Q601 F610 W660 V663	V597-T599 PolarHBondContact O-N 2.79Å; V597-L600 CarbonylContact O-C 3.58Å; V597-L600 PolarHBondContact O-N 2.68Å; V597-L600 VanDerWaalsContact O-N 3.1Å; V597-Q601 WeakPolarHBondContact O-CG 3.49Å; V597-Q601 PolarHBondContact O-N 2.91Å; V597-F610 HydrophobicContact CG1-CD1 4.01Å; V597-F610 HydrophobicContact CG1-CE1 3.95Å; V597-F610 HydrophobicContact CG1-CG 4.37Å; V597-F610 HydrophobicContact CG1-CZ 4.29Å; V597-W660 HydrophobicContact CG2-CB 4.08Å; V597-V663 HydrophobicContact CG2-CG2 4.13Å
598	E	90.2	Very high	92.4	Very high	31 Å²	31	32.9 Å²	32.9	15%	0.145	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-31.2	174.1	-41.3	74.4	-107.3	0	0	111.5	F596 Q601 T602 K721	F596-E598 VanDerWaalsContact C-N 3.34Å; F596-E598 WeakPolarHBondContact CB-OE2 3.46Å; F596-E598 PolarHBondContact O-N 3.33Å; E598-Q601 WeakPolarHBondContact O-CB 3.37Å; E598-Q601 PolarHBondContact O-N 3.33Å; E598-T602 PolarHBondContact O-N 2.84Å; E598-K721 IonicContact OE2-NZ 3.84Å; E598-K721 PolarHBondContact OE2-NZ 3.16Å
599	T	93.8	Very high	91.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-72.3	-37	173.4	-56.9	0	0	0	0	111.6	P595 F596 V597 Q601 T602 Q709 D717 N719	P595-T599 HydrophobicContact CB-CG2 4.28Å; F596-T599 WeakPolarHBondContact O-CB 3.43Å; F596-T599 PolarHBondContact O-N 3.18Å; F596-T599 VanDerWaalsContact O-N 3.1Å; V597-T599 PolarHBondContact O-N 2.79Å; T599-Q601 VanDerWaalsContact C-N 3.34Å; T599-T602 PolarHBondContact O-N 2.59Å; T599-T602 PolarHBondContact O-OG1 3.47Å; T599-Q709 HydrophobicContact CG2-CB 3.95Å; T599-Q709 HydrophobicContact CG2-CG 3.63Å; T599-Q709 WeakPolarHBondContact O-CG 3.43Å; T599-D717 WeakPolarHBondContact CB-OD2 3.47Å; T599-D717 WeakPolarHBondContact CG2-OD2 3.35Å; T599-D717 PolarHBondContact OG1-OD2 3.43Å; T599-N719 WeakPolarHBondContact CA-ND2 3.35Å; T599-N719 HydrophobicContact CG2-CB 4.2Å; T599-N719 WeakPolarHBondContact OG1-CB 3.47Å; T599-N719 PolarHBondContact OG1-ND2 3.22Å
600	L	94.1	Very high	91.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.7	-30.1	172.3	-63.7	162.2	0	0	0	112.3	P595 F596 V597 T602 A603 F605 F610 M617 L659	P595-L600 HydrophobicContact CG-CD1 4.36Å; P595-L600 HydrophobicContact CG-CD2 3.87Å; P595-L600 HydrophobicContact CG-CG 4.01Å; F596-L600 PolarHBondContact O-N 3.23Å; V597-L600 CarbonylContact O-C 3.58Å; V597-L600 PolarHBondContact O-N 2.68Å; V597-L600 VanDerWaalsContact O-N 3.1Å; L600-T602 VanDerWaalsContact C-N 3.31Å; L600-T602 PolarHBondContact O-N 3.4Å; L600-A603 WeakPolarHBondContact O-CB 3.46Å; L600-A603 PolarHBondContact O-N 2.77Å; L600-A603 VanDerWaalsContact O-N 3.13Å; L600-F605 HydrophobicContact CB-CD1 4.19Å; L600-F605 HydrophobicContact CB-CD2 4.39Å; L600-F605 HydrophobicContact CB-CE1 4.49Å; L600-F605 HydrophobicContact CB-CG 4.16Å; L600-F605 HydrophobicContact CD2-CE1 4.26Å; L600-F605 HydrophobicContact CD2-CE2 4.25Å; L600-F605 HydrophobicContact CD2-CZ 3.98Å; L600-F605 WeakPolarHBondContact O-CB 3.36Å; L600-F605 VanDerWaalsContact O-CD2 3.32Å; L600-F605 WeakPolarHBondContact O-CD2 3.27Å; L600-F605 PolarHBondContact O-N 2.79Å; L600-F610 HydrophobicContact CB-CE1 4.21Å; L600-M617 HydrophobicContact CD1-CE 3.52Å; L600-M617 HydrophobicContact CD2-CE 3.9Å; L600-M617 HydrophobicContact CG-CE 4.37Å; L600-L659 HydrophobicContact CD1-CD2 3.56Å
601	Q	92.9	Very high	90.9	Very high	94 Å²	94	41.5 Å²	41.5	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-37	171.1	-73.8	169	-3.1	0	0	112	V597 E598 T599 A603 G604 F610	V597-Q601 WeakPolarHBondContact O-CG 3.49Å; V597-Q601 PolarHBondContact O-N 2.91Å; E598-Q601 WeakPolarHBondContact O-CB 3.37Å; E598-Q601 PolarHBondContact O-N 3.33Å; T599-Q601 VanDerWaalsContact C-N 3.34Å; Q601-A603 VanDerWaalsContact C-N 3.26Å; Q601-A603 PolarHBondContact O-N 2.96Å; Q601-G604 WeakPolarHBondContact O-CA 3.45Å; Q601-G604 PolarHBondContact O-N 2.87Å; Q601-F610 HydrophobicContact CG-CE1 4.24Å; Q601-F610 HydrophobicContact CG-CE2 4.3Å; Q601-F610 HydrophobicContact CG-CZ 3.52Å
602	T	93.5	Very high	90.8	Very high	64 Å²	64	41.4 Å²	41.4	39%	0.393	20%	0.197	S	C	.	.	H	α-helix	trans	-70.9	-19.8	175.4	71.5	0	0	0	0	113.4	E598 T599 L600 G604 Q709	E598-T602 PolarHBondContact O-N 2.84Å; T599-T602 PolarHBondContact O-N 2.59Å; T599-T602 PolarHBondContact O-OG1 3.47Å; L600-T602 VanDerWaalsContact C-N 3.31Å; L600-T602 PolarHBondContact O-N 3.4Å; T602-G604 PolarHBondContact O-N 2.89Å; T602-Q709 PolarHBondContact OG1-NE2 2.85Å
603	A	95	Very high	90.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	3.9	166.3	0	0	0	0	0	113.9	V99 G100 L600 Q601 F605 Q709	V99-A603 WeakPolarHBondContact CA-O 3.38Å; G100-A603 PolarHBondContact N-O 3.49Å; L600-A603 WeakPolarHBondContact O-CB 3.46Å; L600-A603 PolarHBondContact O-N 2.77Å; L600-A603 VanDerWaalsContact O-N 3.13Å; Q601-A603 VanDerWaalsContact C-N 3.26Å; Q601-A603 PolarHBondContact O-N 2.96Å; A603-F605 HydrophobicContact CB-CD2 4.06Å; A603-F605 HydrophobicContact CB-CE2 4.17Å; A603-Q709 HydrophobicContact CB-CB 4.09Å
604	G	92.9	Very high	90.2	Very high	24 Å²	24	47.2 Å²	47.2	25%	0.247	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	5.5	173.5	0	0	0	0	0	115.9	Q601 T602 K606	Q601-G604 WeakPolarHBondContact O-CA 3.45Å; Q601-G604 PolarHBondContact O-N 2.87Å; T602-G604 PolarHBondContact O-N 2.89Å; G604-K606 WeakPolarHBondContact O-CE 3.41Å; G604-K606 PolarHBondContact O-NZ 3.23Å
605	F	92.1	Very high	90	Very high	11 Å²	11	55.6 Å²	55.6	5%	0.048	27%	0.268	C	S	.	.			trans	-51.6	148.7	177.8	-81	-131.5	0	0	0	111.9	L600 A603 D609 F610 S616 M617	L600-F605 HydrophobicContact CB-CD1 4.19Å; L600-F605 HydrophobicContact CB-CD2 4.39Å; L600-F605 HydrophobicContact CB-CE1 4.49Å; L600-F605 HydrophobicContact CB-CG 4.16Å; L600-F605 HydrophobicContact CD2-CE1 4.26Å; L600-F605 HydrophobicContact CD2-CE2 4.25Å; L600-F605 HydrophobicContact CD2-CZ 3.98Å; L600-F605 WeakPolarHBondContact O-CB 3.36Å; L600-F605 VanDerWaalsContact O-CD2 3.32Å; L600-F605 WeakPolarHBondContact O-CD2 3.27Å; L600-F605 PolarHBondContact O-N 2.79Å; A603-F605 HydrophobicContact CB-CD2 4.06Å; A603-F605 HydrophobicContact CB-CE2 4.17Å; F605-D609 HydrophobicContact CB-CB 3.99Å; F605-D609 HydrophobicContact CD1-CB 3.4Å; F605-D609 HydrophobicContact CE1-CB 4.08Å; F605-D609 HydrophobicContact CG-CB 3.87Å; F605-F610 HydrophobicContact CB-CD1 4.21Å; F605-F610 HydrophobicContact CB-CE1 3.37Å; F605-F610 HydrophobicContact CB-CZ 3.65Å; F605-F610 HydrophobicContact CD1-CD1 4.04Å; F605-F610 AromaticContact CD1-CE1 3.93Å; F605-F610 HydrophobicContact CD1-CE1 3.93Å; F605-F610 HydrophobicContact CG-CE1 4.05Å; F605-S616 WeakPolarHBondContact CZ-O 3.48Å; F605-M617 HydrophobicContact CE1-CB 4.37Å; F605-M617 HydrophobicContact CE1-CE 4.17Å
606	K	87.4	Confident	89.9	Confident	109 Å²	109	57.4 Å²	57.4	47%	0.474	28%	0.28	S	S	.	.			trans	-115.8	173.6	174.2	-53.1	-58.1	164.2	-142.1	0	110.7	G604 Y608 D609 F610	G604-K606 WeakPolarHBondContact O-CE 3.41Å; G604-K606 PolarHBondContact O-NZ 3.23Å; K606-Y608 HydrophobicContact CB-CD1 3.93Å; K606-Y608 HydrophobicContact CB-CE1 3.56Å; K606-Y608 HydrophobicContact CB-CE2 4.2Å; K606-Y608 HydrophobicContact CB-CG 4.42Å; K606-Y608 HydrophobicContact CG-CE1 4Å; K606-Y608 PolarHBondContact O-N 3.12Å; K606-Y608 VanDerWaalsContact O-N 3.07Å; K606-D609 PolarHBondContact N-OD2 3.03Å; K606-D609 WeakPolarHBondContact O-CA 3.34Å; K606-D609 WeakPolarHBondContact O-CB 3.3Å; K606-D609 PolarHBondContact O-N 3.06Å; K606-F610 WeakPolarHBondContact O-CD2 3.5Å; K606-F610 PolarHBondContact O-N 2.75Å
607	D	79.6	Confident	89.8	Confident	141 Å²	141	56.9 Å²	56.9	75%	0.754	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.8	-174.5	-53.1	-41	0	0	0	113.8
608	Y	82.8	Confident	89.9	Confident	156 Å²	156	59.5 Å²	59.5	61%	0.612	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-22.1	172.9	56.5	-105.5	0	0	0	114	K606	K606-Y608 HydrophobicContact CB-CD1 3.93Å; K606-Y608 HydrophobicContact CB-CE1 3.56Å; K606-Y608 HydrophobicContact CB-CE2 4.2Å; K606-Y608 HydrophobicContact CB-CG 4.42Å; K606-Y608 HydrophobicContact CG-CE1 4Å; K606-Y608 PolarHBondContact O-N 3.12Å; K606-Y608 VanDerWaalsContact O-N 3.07Å
609	D	85.7	Confident	90.1	Very high	16 Å²	16	60 Å²	60	9%	0.086	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-19.6	177	-60.2	-59.8	0	0	0	112.7	F605 K606 R611 S614 S616	F605-D609 HydrophobicContact CB-CB 3.99Å; F605-D609 HydrophobicContact CD1-CB 3.4Å; F605-D609 HydrophobicContact CE1-CB 4.08Å; F605-D609 HydrophobicContact CG-CB 3.87Å; K606-D609 PolarHBondContact N-OD2 3.03Å; K606-D609 WeakPolarHBondContact O-CA 3.34Å; K606-D609 WeakPolarHBondContact O-CB 3.3Å; K606-D609 PolarHBondContact O-N 3.06Å; D609-R611 PolarHBondContact O-N 3.18Å; D609-S614 WeakPolarHBondContact O-CB 3.39Å; D609-S614 PolarHBondContact O-OG 3.17Å; D609-S616 VanDerWaalsContact OD1-CB 3.3Å; D609-S616 WeakPolarHBondContact OD1-CB 3.12Å; D609-S616 PolarHBondContact OD1-OG 3.2Å
610	F	85	Confident	90.2	Very high	28 Å²	28	60.2 Å²	60.2	12%	0.123	29%	0.294	C	S	.	.			trans	-76.8	58	179.5	-58.2	-46.2	0	0	0	113	V597 L600 Q601 F605 K606 L659	V597-F610 HydrophobicContact CG1-CD1 4.01Å; V597-F610 HydrophobicContact CG1-CE1 3.95Å; V597-F610 HydrophobicContact CG1-CG 4.37Å; V597-F610 HydrophobicContact CG1-CZ 4.29Å; L600-F610 HydrophobicContact CB-CE1 4.21Å; Q601-F610 HydrophobicContact CG-CE1 4.24Å; Q601-F610 HydrophobicContact CG-CE2 4.3Å; Q601-F610 HydrophobicContact CG-CZ 3.52Å; F605-F610 HydrophobicContact CB-CD1 4.21Å; F605-F610 HydrophobicContact CB-CE1 3.37Å; F605-F610 HydrophobicContact CB-CZ 3.65Å; F605-F610 HydrophobicContact CD1-CD1 4.04Å; F605-F610 AromaticContact CD1-CE1 3.93Å; F605-F610 HydrophobicContact CD1-CE1 3.93Å; F605-F610 HydrophobicContact CG-CE1 4.05Å; K606-F610 WeakPolarHBondContact O-CD2 3.5Å; K606-F610 PolarHBondContact O-N 2.75Å; F610-L659 HydrophobicContact CB-CB 4.01Å; F610-L659 HydrophobicContact CB-CD2 4.4Å; F610-L659 HydrophobicContact CD1-CD2 4.03Å; F610-L659 PolarHBondContact O-N 3.04Å
611	R	86.4	Confident	90.2	Very high	147 Å²	147	60.5 Å²	60.5	56%	0.555	30%	0.295	S	S	*	.	S	Bend	trans	-133.7	141.8	173.1	-55.6	177.7	-177.3	-175.1	-0.3	108.4	D609 N613 S614	D609-R611 PolarHBondContact O-N 3.18Å; R611-N613 VanDerWaalsContact C-N 3.26Å; R611-N613 PolarHBondContact O-N 3.48Å; R611-S614 WeakPolarHBondContact O-CB 3.5Å; R611-S614 PolarHBondContact O-N 3.37Å; R611-S614 PolarHBondContact O-OG 2.86Å
612	F	87.3	Confident	90.3	Very high	10 Å²	10	56 Å²	56	4%	0.044	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-41	-175.9	-171.9	-108.8	0	0	0	113.3	L594 M617 H627 M630 A631 W662 T666	L594-F612 HydrophobicContact CD1-CD2 3.99Å; L594-F612 HydrophobicContact CD1-CE2 4.14Å; F612-M617 WeakPolarHBondContact O-CG 3.29Å; F612-H627 AromaticContact CD1-CD2 4Å; F612-H627 HydrophobicContact CE1-CB 4.3Å; F612-H627 AromaticContact CE1-CD2 3.63Å; F612-H627 WeakPolarHBondContact CE1-O 3.27Å; F612-H627 AromaticContact CE2-CD2 3.75Å; F612-H627 HydrophobicContact CZ-CB 4.46Å; F612-H627 AromaticContact CZ-CD2 3.51Å; F612-H627 WeakPolarHBondContact CZ-O 3.05Å; F612-H627 PolarHBondContact O-NE2 2.96Å; F612-M630 HydrophobicContact CZ-CB 4.22Å; F612-A631 HydrophobicContact CE1-CB 3.96Å; F612-A631 HydrophobicContact CZ-CB 4.29Å; F612-W662 HydrophobicContact CB-CD2 4.12Å; F612-W662 HydrophobicContact CB-CG 3.95Å; F612-W662 HydrophobicContact CD1-CD2 4.37Å; F612-W662 HydrophobicContact CD1-CE3 4.48Å; F612-W662 HydrophobicContact CD1-CH2 4.43Å; F612-W662 HydrophobicContact CD1-CZ2 4.34Å; F612-W662 HydrophobicContact CD2-CB 3.73Å; F612-W662 AromaticContact CD2-CD2 3.54Å; F612-W662 HydrophobicContact CD2-CD2 3.54Å; F612-W662 AromaticContact CD2-CE3 3.71Å; F612-W662 HydrophobicContact CD2-CE3 3.71Å; F612-W662 AromaticContact CD2-CG 3.59Å; F612-W662 HydrophobicContact CD2-CG 3.59Å; F612-W662 HydrophobicContact CD2-CZ3 4.46Å; F612-W662 HydrophobicContact CE1-CE3 4.39Å; F612-W662 HydrophobicContact CE1-CH2 4.36Å; F612-W662 HydrophobicContact CE1-CZ3 4.23Å; F612-W662 HydrophobicContact CE2-CB 4.34Å; F612-W662 AromaticContact CE2-CD2 3.96Å; F612-W662 HydrophobicContact CE2-CD2 3.96Å; F612-W662 AromaticContact CE2-CE3 3.6Å; F612-W662 HydrophobicContact CE2-CE3 3.6Å; F612-W662 HydrophobicContact CE2-CG 4.33Å; F612-W662 HydrophobicContact CE2-CZ3 4.15Å; F612-W662 AromaticContact CG-CD2 3.77Å; F612-W662 HydrophobicContact CG-CD2 3.77Å; F612-W662 AromaticContact CG-CE2 3.93Å; F612-W662 HydrophobicContact CG-CE3 4.16Å; F612-W662 AromaticContact CG-CG 3.96Å; F612-W662 HydrophobicContact CG-CG 3.96Å; F612-W662 HydrophobicContact CG-CZ2 4.42Å; F612-W662 AromaticContact CZ-CE3 3.95Å; F612-W662 HydrophobicContact CZ-CE3 3.95Å; F612-W662 HydrophobicContact CZ-CZ3 4.01Å; F612-T666 HydrophobicContact CE2-CG2 4.49Å
613	N	87.8	Confident	90.2	Very high	115 Å²	115	54 Å²	54	62%	0.615	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	30.7	179.7	-60.9	-44.9	0	0	0	113.3	R611	R611-N613 VanDerWaalsContact C-N 3.26Å; R611-N613 PolarHBondContact O-N 3.48Å
614	S	90.2	Very high	89.7	Confident	12 Å²	12	56.3 Å²	56.3	8%	0.084	28%	0.276	C	S	.	.			trans	-70	151.5	175.3	75	0	0	0	0	111.5	D609 R611 S616 M617 L618	D609-S614 WeakPolarHBondContact O-CB 3.39Å; D609-S614 PolarHBondContact O-OG 3.17Å; R611-S614 WeakPolarHBondContact O-CB 3.5Å; R611-S614 PolarHBondContact O-N 3.37Å; R611-S614 PolarHBondContact O-OG 2.86Å; S614-S616 PolarHBondContact O-N 3.49Å; S614-M617 PolarHBondContact O-N 2.95Å; S614-M617 VanDerWaalsContact O-N 3.16Å; S614-M617 VanDerWaalsContact OG-CB 3.29Å; S614-M617 WeakPolarHBondContact OG-CB 3.27Å; S614-M617 PolarHBondContact OG-N 3.18Å; S614-M617 VanDerWaalsContact OG-N 3.14Å; S614-L618 WeakPolarHBondContact O-CG 3.15Å; S614-L618 PolarHBondContact O-N 3.5Å
615	Q	92	Very high	89.2	Confident	175 Å²	175	59.3 Å²	59.3	82%	0.818	29%	0.289	S	S	*	.	H	α-helix	trans	-60.1	-38	177.7	-71.5	-175.3	-17.8	0	0	111.7	M617 L618 H619	Q615-M617 VanDerWaalsContact C-N 3.35Å; Q615-M617 PolarHBondContact O-N 3.07Å; Q615-L618 PolarHBondContact O-N 2.91Å; Q615-H619 WeakPolarHBondContact O-CB 3.32Å; Q615-H619 PolarHBondContact O-N 2.97Å
616	S	93	Very high	88.8	Confident	39 Å²	39	58.9 Å²	58.9	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-33.4	177	-53.5	0	0	0	0	113.1	F605 D609 S614	F605-S616 WeakPolarHBondContact CZ-O 3.48Å; D609-S616 VanDerWaalsContact OD1-CB 3.3Å; D609-S616 WeakPolarHBondContact OD1-CB 3.12Å; D609-S616 PolarHBondContact OD1-OG 3.2Å; S614-S616 PolarHBondContact O-N 3.49Å
617	M	92.5	Very high	88.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-74.2	-45.1	172.6	-177.8	56.3	74.2	0	0	111.8	L594 L600 F605 F612 S614 Q615 H619 R620 Q621 H627 L659 P711	L594-M617 HydrophobicContact CD2-CE 4.23Å; L594-M617 HydrophobicContact CD2-SD 3.98Å; L600-M617 HydrophobicContact CD1-CE 3.52Å; L600-M617 HydrophobicContact CD2-CE 3.9Å; L600-M617 HydrophobicContact CG-CE 4.37Å; F605-M617 HydrophobicContact CE1-CB 4.37Å; F605-M617 HydrophobicContact CE1-CE 4.17Å; F612-M617 WeakPolarHBondContact O-CG 3.29Å; S614-M617 PolarHBondContact O-N 2.95Å; S614-M617 VanDerWaalsContact O-N 3.16Å; S614-M617 VanDerWaalsContact OG-CB 3.29Å; S614-M617 WeakPolarHBondContact OG-CB 3.27Å; S614-M617 PolarHBondContact OG-N 3.18Å; S614-M617 VanDerWaalsContact OG-N 3.14Å; Q615-M617 VanDerWaalsContact C-N 3.35Å; Q615-M617 PolarHBondContact O-N 3.07Å; M617-H619 VanDerWaalsContact C-N 3.33Å; M617-H619 PolarHBondContact O-N 2.94Å; M617-R620 PolarHBondContact O-N 3.49Å; M617-R620 VanDerWaalsContact O-N 3.15Å; M617-Q621 PolarHBondContact O-N 2.71Å; M617-H627 WeakPolarHBondContact CG-NE2 3.31Å; M617-L659 HydrophobicContact CE-CD1 4.31Å; M617-L659 HydrophobicContact CE-CD2 3.82Å; M617-P711 HydrophobicContact SD-CG 3.65Å
618	L	92.8	Very high	89.1	Confident	77 Å²	77	55.4 Å²	55.4	40%	0.403	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-32.4	179.9	-67.8	173.1	0	0	0	112.6	S614 Q615 R620 Q621 H627	S614-L618 WeakPolarHBondContact O-CG 3.15Å; S614-L618 PolarHBondContact O-N 3.5Å; Q615-L618 PolarHBondContact O-N 2.91Å; L618-R620 PolarHBondContact O-N 2.87Å; L618-Q621 PolarHBondContact O-N 3.45Å; L618-H627 HydrophobicContact CD2-CB 4.46Å
619	H	95	Very high	89.2	Confident	43 Å²	43	49 Å²	49	20%	0.199	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-33.4	172	-178.7	74.4	0	0	0	112.8	D103 N216 Q615 M617 H622	D103-H619 IonicContact OD1-CD2 2.87Å; D103-H619 IonicContact OD1-CE1 3.2Å; D103-H619 IonicContact OD1-NE2 3.85Å; D103-H619 PolarHBondContact OD1-NE2 2.99Å; D103-H619 IonicContact OD2-CE1 3.3Å; D103-H619 IonicContact OD2-NE2 2.76Å; D103-H619 PolarHBondContact OD2-NE2 2.91Å; D103-H619 VanDerWaalsContact OD2-NE2 3.15Å; N216-H619 PolarHBondContact ND2-CE1 3.02Å; Q615-H619 WeakPolarHBondContact O-CB 3.32Å; Q615-H619 PolarHBondContact O-N 2.97Å; M617-H619 VanDerWaalsContact C-N 3.33Å; M617-H619 PolarHBondContact O-N 2.94Å; H619-H622 PolarHBondContact O-NE2 3.19Å
620	R	95.5	Very high	89.4	Confident	3 Å²	3	48.2 Å²	48.2	1%	0.011	24%	0.24	C	C	.	.	H	α-helix	trans	-92.2	-9.6	-178	-70.6	173.2	174.1	-98.2	-15.5	113.6	Y98 G100 M617 L618 H622 W708 Q709 A710	Y98-R620 PolarHBondContact O-NH1 3.29Å; Y98-R620 PolarHBondContact O-NH2 3.21Å; G100-R620 PolarHBondContact O-NH2 2.82Å; M617-R620 PolarHBondContact O-N 3.49Å; M617-R620 VanDerWaalsContact O-N 3.15Å; L618-R620 PolarHBondContact O-N 2.87Å; R620-H622 PolarHBondContact O-N 3.09Å; R620-W708 HydrophobicContact CB-CH2 4.41Å; R620-W708 HydrophobicContact CG-CH2 3.95Å; R620-W708 HydrophobicContact CG-CZ3 4.22Å; R620-Q709 WeakPolarHBondContact CD-O 3.13Å; R620-Q709 PolarHBondContact NH1-O 3.49Å; R620-A710 HydrophobicContact CB-CB 4.17Å
621	Q	94.8	Very high	89.6	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.028	24%	0.243	C	C	.	.			trans	-77.6	101.1	170.8	178.5	58.1	-96.2	0	0	109.3	I214 M617 L618 H623 A626 H627	I214-Q621 WeakPolarHBondContact CD1-O 3.21Å; I214-Q621 VanDerWaalsContact CG1-O 3.25Å; I214-Q621 WeakPolarHBondContact CG1-O 3.4Å; M617-Q621 PolarHBondContact O-N 2.71Å; L618-Q621 PolarHBondContact O-N 3.45Å; Q621-H623 WeakPolarHBondContact CG-O 3.35Å; Q621-H623 PolarHBondContact OE1-O 3.36Å; Q621-A626 HydrophobicContact CG-CB 4.49Å; Q621-H627 WeakPolarHBondContact CB-ND1 3.5Å; Q621-H627 WeakPolarHBondContact CG-ND1 3.19Å; Q621-H627 PolarHBondContact NE2-ND1 2.83Å
622	H	95.9	Very high	89.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.			trans	-93.8	-5.3	-179.9	-75.8	-159	0	0	0	113.5	I214 Q215 W233 D234 A236 H619 R620 W708	I214-H622 WeakPolarHBondContact CG2-O 3.36Å; I214-H622 PolarHBondContact O-CD2 2.87Å; Q215-H622 HydrophobicContact CB-CB 4.42Å; Q215-H622 HydrophobicContact CG-CB 4.2Å; Q215-H622 WeakPolarHBondContact CG-O 3.32Å; Q215-H622 PolarHBondContact O-CE1 2.95Å; W233-H622 WeakPolarHBondContact O-CB 3.04Å; W233-H622 PolarHBondContact O-ND1 3.03Å; W233-H622 VanDerWaalsContact O-ND1 3.15Å; D234-H622 VanDerWaalsContact C-CB 3.46Å; D234-H622 WeakPolarHBondContact CB-O 3.35Å; D234-H622 CarbonylContact O-C 3.49Å; D234-H622 WeakPolarHBondContact O-CB 3.37Å; A236-H622 PolarHBondContact O-CE1 3.08Å; A236-H622 VanDerWaalsContact O-CE1 3.31Å; A236-H622 PolarHBondContact O-ND1 3.47Å; H619-H622 PolarHBondContact O-NE2 3.19Å; R620-H622 PolarHBondContact O-N 3.09Å; H622-W708 AromaticContact CE1-CH2 3.89Å; H622-W708 AromaticContact CE1-CZ2 3.64Å; H622-W708 AromaticContact NE2-CH2 3.71Å; H622-W708 AromaticContact NE2-CZ2 3.69Å
623	H	90.9	Very high	89.6	Confident	23 Å²	23	46.8 Å²	46.8	11%	0.106	24%	0.242	C	C	.	.	S	Bend	trans	-96.1	129.7	173.1	-166.2	84.7	0	0	0	112	D234 Q621 A626 W713	D234-H623 HydrophobicContact CB-CB 4.2Å; D234-H623 PolarHBondContact O-N 2.83Å; D234-H623 IonicContact OD2-CE1 3.23Å; D234-H623 IonicContact OD2-CG 3.04Å; D234-H623 IonicContact OD2-ND1 3.49Å; D234-H623 PolarHBondContact OD2-ND1 2.88Å; Q621-H623 WeakPolarHBondContact CG-O 3.35Å; Q621-H623 PolarHBondContact OE1-O 3.36Å; H623-A626 HydrophobicContact CB-CB 4.01Å; H623-W713 HydrophobicContact CB-CH2 3.6Å; H623-W713 HydrophobicContact CB-CZ2 4.18Å; H623-W713 AromaticContact CE1-CZ2 3.88Å; H623-W713 AromaticContact CG-CH2 3.56Å; H623-W713 AromaticContact CG-CZ2 3.72Å; H623-W713 AromaticContact ND1-CH2 3.35Å; H623-W713 WeakPolarHBondContact ND1-CH2 3.12Å; H623-W713 AromaticContact ND1-CZ2 3.47Å; H623-W713 WeakPolarHBondContact ND1-CZ2 3.3Å
624	P	83.8	Confident	89.7	Confident	48 Å²	48	41.3 Å²	41.3	31%	0.312	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	142	178.6	27.9	-35.7	0	0	0	111.5	L212 A626	L212-P624 HydrophobicContact CD1-CG 4.03Å; P624-A626 PolarHBondContact O-N 2.91Å
625	T	83.2	Confident	89.6	Confident	86 Å²	86	45.7 Å²	45.7	53%	0.528	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	-10.9	179.4	80	0	0	0	0	117.7	H627 K628 S629	T625-H627 VanDerWaalsContact C-N 3.33Å; T625-H627 PolarHBondContact O-N 2.96Å; T625-H627 VanDerWaalsContact O-N 3.11Å; T625-K628 WeakPolarHBondContact O-CA 3.41Å; T625-K628 VanDerWaalsContact O-CB 3.3Å; T625-K628 WeakPolarHBondContact O-CB 3.34Å; T625-K628 PolarHBondContact O-N 3.13Å; T625-S629 PolarHBondContact O-N 3.44Å
626	A	83.7	Confident	89.3	Confident	2 Å²	2	38.3 Å²	38.3	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-55.7	-36	-170.1	0	0	0	0	0	115.7	Q621 H623 P624 K628 S629 M630	Q621-A626 HydrophobicContact CG-CB 4.49Å; H623-A626 HydrophobicContact CB-CB 4.01Å; P624-A626 PolarHBondContact O-N 2.91Å; A626-K628 VanDerWaalsContact C-N 3.26Å; A626-K628 PolarHBondContact O-N 2.76Å; A626-S629 WeakPolarHBondContact CA-OG 3.36Å; A626-S629 PolarHBondContact O-N 3.47Å; A626-S629 PolarHBondContact O-OG 2.92Å; A626-S629 VanDerWaalsContact O-OG 3.14Å; A626-M630 WeakPolarHBondContact O-CB 3.33Å; A626-M630 WeakPolarHBondContact O-CG 3.3Å; A626-M630 PolarHBondContact O-N 2.7Å
627	H	86.4	Confident	89.1	Confident	14 Å²	14	37.9 Å²	37.9	7%	0.065	19%	0.193	C	C	.	.	H	α-helix	trans	-62.8	-31.8	173	-89.5	95	0	0	0	112.9	F612 M617 L618 Q621 T625 A631	F612-H627 AromaticContact CD1-CD2 4Å; F612-H627 HydrophobicContact CE1-CB 4.3Å; F612-H627 AromaticContact CE1-CD2 3.63Å; F612-H627 WeakPolarHBondContact CE1-O 3.27Å; F612-H627 AromaticContact CE2-CD2 3.75Å; F612-H627 HydrophobicContact CZ-CB 4.46Å; F612-H627 AromaticContact CZ-CD2 3.51Å; F612-H627 WeakPolarHBondContact CZ-O 3.05Å; F612-H627 PolarHBondContact O-NE2 2.96Å; M617-H627 WeakPolarHBondContact CG-NE2 3.31Å; L618-H627 HydrophobicContact CD2-CB 4.46Å; Q621-H627 WeakPolarHBondContact CB-ND1 3.5Å; Q621-H627 WeakPolarHBondContact CG-ND1 3.19Å; Q621-H627 PolarHBondContact NE2-ND1 2.83Å; T625-H627 VanDerWaalsContact C-N 3.33Å; T625-H627 PolarHBondContact O-N 2.96Å; T625-H627 VanDerWaalsContact O-N 3.11Å; H627-A631 VanDerWaalsContact O-CB 3.28Å; H627-A631 WeakPolarHBondContact O-CB 3.26Å; H627-A631 PolarHBondContact O-N 3.39Å; H627-A631 VanDerWaalsContact O-N 3.17Å
628	K	85.8	Confident	89	Confident	163 Å²	163	38.1 Å²	38.1	71%	0.709	19%	0.194	S	C	*	.	H	α-helix	trans	-73.7	-43.9	174.4	-61.1	-175.6	178.1	-177.5	0	111.7	T625 A626 A631 F632	T625-K628 WeakPolarHBondContact O-CA 3.41Å; T625-K628 VanDerWaalsContact O-CB 3.3Å; T625-K628 WeakPolarHBondContact O-CB 3.34Å; T625-K628 PolarHBondContact O-N 3.13Å; A626-K628 VanDerWaalsContact C-N 3.26Å; A626-K628 PolarHBondContact O-N 2.76Å; K628-A631 PolarHBondContact O-N 2.88Å; K628-F632 WeakPolarHBondContact O-CB 3.39Å; K628-F632 PolarHBondContact O-N 2.83Å
629	S	85.4	Confident	88.4	Confident	22 Å²	22	39.1 Å²	39.1	15%	0.154	19%	0.192	C	C	.	.	H	α-helix	trans	-69.3	-40.5	179.6	59	0	0	0	0	112.2	T625 A626 A631 F632 N633	T625-S629 PolarHBondContact O-N 3.44Å; A626-S629 WeakPolarHBondContact CA-OG 3.36Å; A626-S629 PolarHBondContact O-N 3.47Å; A626-S629 PolarHBondContact O-OG 2.92Å; A626-S629 VanDerWaalsContact O-OG 3.14Å; S629-A631 VanDerWaalsContact C-N 3.34Å; S629-A631 PolarHBondContact O-N 3.34Å; S629-F632 PolarHBondContact O-N 2.74Å; S629-N633 WeakPolarHBondContact O-CB 3.46Å; S629-N633 PolarHBondContact O-N 3.36Å
630	M	89.5	Confident	87.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56.6	-46	168.8	-77.1	-168.8	-70.9	0	0	111.8	F591 Q592 L594 F612 A626 V634 T666	F591-M630 HydrophobicContact CE1-CG 4.02Å; F591-M630 HydrophobicContact CZ-CG 4.19Å; Q592-M630 HydrophobicContact CB-SD 4.37Å; Q592-M630 VanDerWaalsContact OE1-CE 3.31Å; L594-M630 HydrophobicContact CD2-CE 4.26Å; F612-M630 HydrophobicContact CZ-CB 4.22Å; A626-M630 WeakPolarHBondContact O-CB 3.33Å; A626-M630 WeakPolarHBondContact O-CG 3.3Å; A626-M630 PolarHBondContact O-N 2.7Å; M630-V634 WeakPolarHBondContact O-CB 3.37Å; M630-V634 VanDerWaalsContact O-CG2 3.3Å; M630-V634 WeakPolarHBondContact O-CG2 3.17Å; M630-V634 PolarHBondContact O-N 3.4Å; M630-T666 HydrophobicContact CB-CG2 4.02Å; M630-T666 HydrophobicContact CG-CG2 4.25Å; M630-T666 HydrophobicContact SD-CG2 3.92Å
631	A	88.8	Confident	85.2	Confident	21 Å²	21	43.3 Å²	43.3	17%	0.174	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-38.5	179.1	0	0	0	0	0	113.6	F612 H627 K628 S629 K635 W662	F612-A631 HydrophobicContact CE1-CB 3.96Å; F612-A631 HydrophobicContact CZ-CB 4.29Å; H627-A631 VanDerWaalsContact O-CB 3.28Å; H627-A631 WeakPolarHBondContact O-CB 3.26Å; H627-A631 PolarHBondContact O-N 3.39Å; H627-A631 VanDerWaalsContact O-N 3.17Å; K628-A631 PolarHBondContact O-N 2.88Å; S629-A631 VanDerWaalsContact C-N 3.34Å; S629-A631 PolarHBondContact O-N 3.34Å; A631-K635 WeakPolarHBondContact O-CB 3.45Å; A631-K635 VanDerWaalsContact O-CG 3.29Å; A631-K635 WeakPolarHBondContact O-CG 3.23Å; A631-K635 PolarHBondContact O-N 3.41Å; A631-W662 HydrophobicContact CB-CH2 4.02Å; A631-W662 HydrophobicContact CB-CZ3 4.14Å
632	F	87.1	Confident	82.9	Confident	134 Å²	134	46.4 Å²	46.4	59%	0.588	23%	0.23	S	C	*	.	H	α-helix	trans	-65.4	-51.5	175.9	176.6	-100	0	0	0	111.3	K628 S629 V634 K635 A636	K628-F632 WeakPolarHBondContact O-CB 3.39Å; K628-F632 PolarHBondContact O-N 2.83Å; S629-F632 PolarHBondContact O-N 2.74Å; F632-V634 PolarHBondContact O-N 3.16Å; F632-K635 CarbonylContact O-C 3.51Å; F632-K635 PolarHBondContact O-N 3.01Å; F632-K635 VanDerWaalsContact O-N 3.11Å; F632-A636 PolarHBondContact O-N 3.26Å
633	N	88.2	Confident	79.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.6	-33.7	-177.8	-79.7	-3.4	0	0	0	113.1	F591 S629 A636 Y669	F591-N633 WeakPolarHBondContact CE2-ND2 3.34Å; F591-N633 HydrophobicContact CZ-CB 3.96Å; F591-N633 VanDerWaalsContact CZ-ND2 3.35Å; F591-N633 WeakPolarHBondContact CZ-ND2 3.4Å; S629-N633 WeakPolarHBondContact O-CB 3.46Å; S629-N633 PolarHBondContact O-N 3.36Å; N633-A636 WeakPolarHBondContact O-CB 3.29Å; N633-A636 PolarHBondContact O-N 3.44Å; N633-Y669 HydrophobicContact CB-CD1 4.07Å; N633-Y669 HydrophobicContact CB-CD2 4.12Å; N633-Y669 HydrophobicContact CB-CE1 3.69Å; N633-Y669 HydrophobicContact CB-CE2 3.74Å; N633-Y669 HydrophobicContact CB-CG 4.28Å; N633-Y669 PolarHBondContact ND2-OH 3.39Å; N633-Y669 WeakPolarHBondContact O-CD2 3.42Å
634	V	89.7	Confident	76.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-43.4	169.8	167.1	0	0	0	0	111.1	M630 F632 A636 H637 F638 L640 W662 L665 T666	M630-V634 WeakPolarHBondContact O-CB 3.37Å; M630-V634 VanDerWaalsContact O-CG2 3.3Å; M630-V634 WeakPolarHBondContact O-CG2 3.17Å; M630-V634 PolarHBondContact O-N 3.4Å; F632-V634 PolarHBondContact O-N 3.16Å; V634-A636 PolarHBondContact O-N 3.09Å; V634-H637 PolarHBondContact O-N 3.06Å; V634-F638 HydrophobicContact CG1-CB 4.39Å; V634-F638 HydrophobicContact CG1-CD2 4.3Å; V634-F638 WeakPolarHBondContact O-CB 3.48Å; V634-F638 PolarHBondContact O-N 3.28Å; V634-L640 HydrophobicContact CG1-CD1 3.99Å; V634-L640 HydrophobicContact CG1-CD2 4.36Å; V634-L640 HydrophobicContact CG1-CG 4.19Å; V634-W662 HydrophobicContact CB-CZ3 4.34Å; V634-W662 HydrophobicContact CG1-CZ3 4.26Å; V634-L665 HydrophobicContact CG1-CB 3.81Å; V634-L665 HydrophobicContact CG1-CD1 3.93Å; V634-L665 HydrophobicContact CG1-CG 4.44Å; V634-L665 HydrophobicContact CG2-CB 4.14Å; V634-T666 HydrophobicContact CG2-CG2 3.95Å
635	K	87.4	Confident	74.4	Confident	104 Å²	104	64.7 Å²	64.7	45%	0.452	31%	0.314	S	S	.	.	H	α-helix	trans	-68.7	-19.4	176.2	-72.1	-178.4	179.4	-162.2	0	113.8	A631 F632 H637 L640 R833	A631-K635 WeakPolarHBondContact O-CB 3.45Å; A631-K635 VanDerWaalsContact O-CG 3.29Å; A631-K635 WeakPolarHBondContact O-CG 3.23Å; A631-K635 PolarHBondContact O-N 3.41Å; F632-K635 CarbonylContact O-C 3.51Å; F632-K635 PolarHBondContact O-N 3.01Å; F632-K635 VanDerWaalsContact O-N 3.11Å; K635-H637 VanDerWaalsContact C-N 3.31Å; K635-L640 HydrophobicContact CD-CD1 4.38Å; K635-L640 HydrophobicContact CG-CD1 3.75Å; K635-R833 WeakPolarHBondContact O-CD 3.29Å
636	A	86.1	Confident	71.9	Confident	20 Å²	20	64.1 Å²	64.1	17%	0.165	33%	0.325	C	S	.	.	H	α-helix	trans	-69.5	-25.8	174.9	0	0	0	0	0	113.1	F632 N633 V634 R833	F632-A636 PolarHBondContact O-N 3.26Å; N633-A636 WeakPolarHBondContact O-CB 3.29Å; N633-A636 PolarHBondContact O-N 3.44Å; V634-A636 PolarHBondContact O-N 3.09Å; A636-R833 WeakPolarHBondContact O-CD 3.49Å; A636-R833 PolarHBondContact O-NE 3.17Å; A636-R833 VanDerWaalsContact O-NE 3.14Å; A636-R833 PolarHBondContact O-NH1 3.23Å
637	H	88.5	Confident	69.2	Low	30 Å²	30	71.5 Å²	71.5	14%	0.139	36%	0.357	C	S	.	.	H	α-helix	trans	-131.6	-12.6	-175.1	-64.5	-77.4	0	0	0	116.3	D573 W575 V634 K635 Y669 L832 R833	D573-H637 IonicContact OD1-CD2 3.89Å; D573-H637 IonicContact OD1-NE2 2.97Å; D573-H637 PolarHBondContact OD1-NE2 3.11Å; D573-H637 IonicContact OD2-CD2 2.67Å; D573-H637 IonicContact OD2-CE1 3.86Å; D573-H637 PolarHBondContact OD2-CE1 2.69Å; D573-H637 IonicContact OD2-NE2 2.67Å; D573-H637 PolarHBondContact OD2-NE2 3.15Å; W575-H637 AromaticContact CD2-CD2 3.79Å; W575-H637 AromaticContact CD2-CE1 3.88Å; W575-H637 AromaticContact CD2-CG 3.81Å; W575-H637 AromaticContact CD2-ND1 3.91Å; W575-H637 AromaticContact CD2-NE2 3.79Å; W575-H637 HydrophobicContact CE3-CB 4.11Å; W575-H637 AromaticContact CE3-CD2 3.89Å; W575-H637 AromaticContact CE3-CE1 3.5Å; W575-H637 VanDerWaalsContact CE3-CE1 3.5Å; W575-H637 AromaticContact CE3-CG 3.45Å; W575-H637 VanDerWaalsContact CE3-CG 3.45Å; W575-H637 AromaticContact CE3-ND1 3.21Å; W575-H637 AromaticContact CE3-NE2 3.88Å; W575-H637 AromaticContact CG-NE2 3.77Å; W575-H637 HydrophobicContact CH2-CB 3.73Å; W575-H637 AromaticContact CH2-CG 3.98Å; W575-H637 HydrophobicContact CZ2-CB 4.22Å; W575-H637 HydrophobicContact CZ3-CB 3.68Å; W575-H637 AromaticContact CZ3-CG 3.55Å; W575-H637 AromaticContact CZ3-ND1 3.51Å; V634-H637 PolarHBondContact O-N 3.06Å; K635-H637 VanDerWaalsContact C-N 3.31Å; H637-Y669 AromaticContact CD2-CE2 3.67Å; H637-L832 WeakPolarHBondContact O-CB 3.29Å; H637-R833 WeakPolarHBondContact O-CG 3.42Å
638	F	89.7	Confident	66.6	Low	4 Å²	4	76.8 Å²	76.8	2%	0.018	39%	0.385	C	S	.	.	S	Bend	trans	-129.6	147.5	-175	-55.7	-72.5	0	0	0	113.2	W575 V634 L640 L665 L668 L832 L917 Y921	W575-F638 HydrophobicContact CH2-CE1 4.09Å; W575-F638 AromaticContact CH2-CE2 3.98Å; W575-F638 HydrophobicContact CH2-CE2 3.98Å; W575-F638 AromaticContact CH2-CZ 3.44Å; W575-F638 HydrophobicContact CH2-CZ 3.44Å; W575-F638 VanDerWaalsContact CH2-CZ 3.44Å; W575-F638 AromaticContact CZ2-CE2 3.83Å; W575-F638 HydrophobicContact CZ2-CE2 3.83Å; W575-F638 AromaticContact CZ2-CZ 3.6Å; W575-F638 HydrophobicContact CZ2-CZ 3.6Å; V634-F638 HydrophobicContact CG1-CB 4.39Å; V634-F638 HydrophobicContact CG1-CD2 4.3Å; V634-F638 WeakPolarHBondContact O-CB 3.48Å; V634-F638 PolarHBondContact O-N 3.28Å; F638-L640 PolarHBondContact O-N 3.19Å; F638-L665 HydrophobicContact CB-CD1 4.44Å; F638-L665 HydrophobicContact CB-CD2 3.87Å; F638-L665 HydrophobicContact CD1-CD2 3.92Å; F638-L665 HydrophobicContact CD2-CD2 4.03Å; F638-L665 HydrophobicContact CE1-CD2 4.44Å; F638-L665 HydrophobicContact CG-CD2 3.67Å; F638-L668 HydrophobicContact CE1-CD2 3.65Å; F638-L668 HydrophobicContact CE1-CG 4.29Å; F638-L668 HydrophobicContact CZ-CB 4.38Å; F638-L668 HydrophobicContact CZ-CD2 3.65Å; F638-L668 HydrophobicContact CZ-CG 3.77Å; F638-L832 HydrophobicContact CD1-CD1 4.39Å; F638-L832 HydrophobicContact CE1-CD1 3.84Å; F638-L917 HydrophobicContact CD1-CD1 3.84Å; F638-L917 HydrophobicContact CD1-CD2 4.23Å; F638-L917 HydrophobicContact CE1-CD1 4.2Å; F638-L917 HydrophobicContact CE1-CD2 4.27Å; F638-Y921 WeakPolarHBondContact CA-OH 3.4Å; F638-Y921 HydrophobicContact CB-CE1 4.39Å
639	R	81.1	Confident	64	Low	98 Å²	98	73.4 Å²	73.4	37%	0.37	38%	0.378	S	S	.	.			trans	-68.9	127.3	168	-62.9	-172.8	173.8	169.5	5	110	R833 N834 V835 Y921	R639-R833 PolarHBondContact NE-O 2.88Å; R639-R833 PolarHBondContact NH2-O 3.2Å; R639-N834 PolarHBondContact NH2-O 2.71Å; R639-V835 VanDerWaalsContact CZ-O 3.23Å; R639-V835 PolarHBondContact NH1-O 2.81Å; R639-V835 PolarHBondContact NH2-O 3.11Å; R639-Y921 HydrophobicContact CB-CD1 3.93Å; R639-Y921 HydrophobicContact CB-CD2 4.3Å; R639-Y921 HydrophobicContact CB-CE1 3.66Å; R639-Y921 HydrophobicContact CB-CE2 4.05Å; R639-Y921 HydrophobicContact CB-CG 4.24Å; R639-Y921 HydrophobicContact CG-CD2 4.24Å; R639-Y921 HydrophobicContact CG-CE1 4.27Å; R639-Y921 HydrophobicContact CG-CE2 3.79Å; R639-Y921 PolarHBondContact N-OH 2.91Å; R639-Y921 VanDerWaalsContact N-OH 3.1Å
640	L	69.1	Low	61.4	Low	33 Å²	33	76 Å²	76	17%	0.173	39%	0.393	C	S	.	.			trans	-111.6	130.7	159	-71.7	173	0	0	0	107.8	V634 K635 F638 E642 W662 L665	V634-L640 HydrophobicContact CG1-CD1 3.99Å; V634-L640 HydrophobicContact CG1-CD2 4.36Å; V634-L640 HydrophobicContact CG1-CG 4.19Å; K635-L640 HydrophobicContact CD-CD1 4.38Å; K635-L640 HydrophobicContact CG-CD1 3.75Å; F638-L640 PolarHBondContact O-N 3.19Å; L640-E642 PolarHBondContact O-N 3.09Å; L640-W662 HydrophobicContact CD1-CH2 3.27Å; L640-W662 HydrophobicContact CD1-CZ2 3.63Å; L640-W662 HydrophobicContact CD1-CZ3 3.83Å; L640-W662 HydrophobicContact CD2-CZ2 4.41Å; L640-L665 HydrophobicContact CD2-CD1 3.53Å; L640-L665 HydrophobicContact CG-CD1 4.44Å
641	I	54.9	Low	58.7	Low	101 Å²	101	79.8 Å²	79.8	52%	0.518	42%	0.42	S	S	.	.	S	Bend	trans	-79.8	59.8	-177.8	-39.5	172.8	0	0	0	109.9	Y921	I641-Y921 WeakPolarHBondContact CD1-O 3.08Å
642	E	45.9	Very low	55.9	Low	72 Å²	72	82.7 Å²	82.7	34%	0.336	44%	0.439	S	S	.	.	S	Bend	trans	-141.4	103.9	-177.5	-69.5	-174.6	172.8	0	0	111	L640 S657	L640-E642 PolarHBondContact O-N 3.09Å; E642-S657 WeakPolarHBondContact OE1-CB 3.32Å; E642-S657 PolarHBondContact OE1-OG 2.75Å
643	Y	32.2	Very low	53.1	Low	170 Å²	170	83.6 Å²	83.6	67%	0.667	44%	0.438	S	S	*	.			trans	65.9	118.2	178.1	-69.6	-94.6	0	0	0	117.1	L648	Y643-L648 HydrophobicContact CE1-CD1 3.73Å; Y643-L648 HydrophobicContact CE1-CG 3.86Å
644	D	27.8	Very low	50.4	Low	136 Å²	136	87 Å²	87	73%	0.727	46%	0.456	S	S	*	.	S	Bend	trans	-109.3	139.8	166.1	-159.8	9.2	0	0	0	108.9	G646 K647	D644-G646 PolarHBondContact O-N 2.68Å; D644-K647 PolarHBondContact O-N 2.98Å
645	D	31.7	Very low	47.8	Very low	148 Å²	148	91.4 Å²	91.4	79%	0.791	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.2	31	172.3	-116.5	17.8	0	0	0	118.1	K647	D645-K647 PolarHBondContact O-N 2.74Å; D645-K647 VanDerWaalsContact O-N 3.14Å
646	G	30.4	Very low	45.4	Very low	74 Å²	74	89.5 Å²	89.5	76%	0.763	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	12.6	174.1	0	0	0	0	0	115.8	D644	D644-G646 PolarHBondContact O-N 2.68Å
647	K	27.8	Very low	43.7	Very low	158 Å²	158	89.6 Å²	89.6	69%	0.687	49%	0.486	S	S	*	.			trans	-122.8	126.3	-178.2	-70.9	169.4	-174.7	157.9	0	111	D644 D645 T649	D644-K647 PolarHBondContact O-N 2.98Å; D645-K647 PolarHBondContact O-N 2.74Å; D645-K647 VanDerWaalsContact O-N 3.14Å; K647-T649 PolarHBondContact O-N 2.97Å
648	L	32.1	Very low	42.9	Very low	124 Å²	124	93.9 Å²	93.9	65%	0.649	50%	0.504	S	S	*	.			trans	-64.5	101.9	166.4	-82.2	100.2	0	0	0	109.7	Y643 T650	Y643-L648 HydrophobicContact CE1-CD1 3.73Å; Y643-L648 HydrophobicContact CE1-CG 3.86Å; L648-T650 PolarHBondContact O-N 3.04Å
649	T	30.7	Very low	42.7	Very low	92 Å²	92	93.8 Å²	93.8	56%	0.564	50%	0.504	S	S	*	.			trans	-67.2	124.9	161.4	49.8	0	0	0	0	108	K647 S651 S652	K647-T649 PolarHBondContact O-N 2.97Å; T649-S651 PolarHBondContact O-N 2.9Å; T649-S652 PolarHBondContact O-N 3.43Å
650	T	30.7	Very low	42.9	Very low	78 Å²	78	90.7 Å²	90.7	48%	0.479	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	6.5	-166.2	43.6	0	0	0	0	114.6	L648 L1313 K1315	L648-T650 PolarHBondContact O-N 3.04Å; T650-L1313 WeakPolarHBondContact O-CD2 3.47Å; T650-K1315 WeakPolarHBondContact O-CE 3.27Å; T650-K1315 PolarHBondContact O-NZ 2.87Å
651	S	33.3	Very low	43.8	Very low	79 Å²	79	90.1 Å²	90.1	55%	0.552	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-31.2	178.2	48.3	0	0	0	0	114.8	T649 R653 K1315	T649-S651 PolarHBondContact O-N 2.9Å; S651-R653 PolarHBondContact O-N 3.01Å; S651-K1315 VanDerWaalsContact O-CE 3.28Å; S651-K1315 WeakPolarHBondContact O-CE 3.47Å
652	S	29.2	Very low	45.5	Very low	82 Å²	82	85.7 Å²	85.7	57%	0.573	46%	0.464	S	S	*	.			trans	-77.6	24.2	-163.9	70.8	0	0	0	0	117.2	T649 L654	T649-S652 PolarHBondContact O-N 3.43Å; S652-L654 VanDerWaalsContact C-N 3.33Å; S652-L654 PolarHBondContact O-N 2.97Å
653	R	29.7	Very low	47.7	Very low	153 Å²	153	82.5 Å²	82.5	58%	0.577	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	41.1	-160.2	-89.4	-156.3	-176.4	172.2	-1.1	117.3	S651 K1315 E1398	S651-R653 PolarHBondContact O-N 3.01Å; R653-K1315 HydrophobicContact CB-CD 4.48Å; R653-K1315 VanDerWaalsContact CD-NZ 3.3Å; R653-E1398 WeakPolarHBondContact CA-OE1 3.31Å; R653-E1398 WeakPolarHBondContact CB-OE2 3.48Å; R653-E1398 WeakPolarHBondContact CD-OE2 3.44Å; R653-E1398 WeakPolarHBondContact CG-OE2 3.2Å; R653-E1398 IonicContact NE-OE2 2.77Å
654	L	31.3	Very low	50.7	Low	71 Å²	71	74.9 Å²	74.9	37%	0.372	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-163.8	-18.3	173.2	-110.8	135.4	0	0	0	119.1	S652 A656 F1317 E1396	S652-L654 VanDerWaalsContact C-N 3.33Å; S652-L654 PolarHBondContact O-N 2.97Å; L654-A656 VanDerWaalsContact C-N 3.31Å; L654-A656 PolarHBondContact O-N 3.21Å; L654-F1317 HydrophobicContact CD1-CG 4.47Å; L654-E1396 VanDerWaalsContact CD1-CD 3.44Å; L654-E1396 HydrophobicContact CD1-CG 4.32Å; L654-E1396 WeakPolarHBondContact CD1-OE2 3.44Å; L654-E1396 HydrophobicContact CD2-CG 4.1Å; L654-E1396 WeakPolarHBondContact CD2-OE1 3.45Å
655	V	35.2	Very low	53.8	Low	92 Å²	92	68.4 Å²	68.4	56%	0.558	39%	0.385	S	S	*	.			trans	-86.9	71.3	-173.5	-168.4	0	0	0	0	111.1	S657	V655-S657 PolarHBondContact O-N 3.27Å
656	A	35.4	Very low	56.9	Low	65 Å²	65	61.3 Å²	61.3	54%	0.537	35%	0.348	S	S	.	.			trans	-55.8	125.4	158.6	0	0	0	0	0	108.3	L654 K658	L654-A656 VanDerWaalsContact C-N 3.31Å; L654-A656 PolarHBondContact O-N 3.21Å; A656-K658 PolarHBondContact O-N 3.37Å
657	S	51.1	Low	60	Low	21 Å²	21	57.9 Å²	57.9	15%	0.147	31%	0.312	C	S	.	.			trans	-64.2	99.3	-170.5	49.9	0	0	0	0	111.8	E642 V655 L659 W662	E642-S657 WeakPolarHBondContact OE1-CB 3.32Å; E642-S657 PolarHBondContact OE1-OG 2.75Å; V655-S657 PolarHBondContact O-N 3.27Å; S657-L659 PolarHBondContact O-N 3.38Å; S657-W662 PolarHBondContact OG-NE1 3.18Å; S657-W662 VanDerWaalsContact OG-NE1 3.13Å
658	K	70.9	Confident	63.3	Low	120 Å²	120	50.3 Å²	50.3	52%	0.522	28%	0.279	S	S	.	.			trans	-50.9	128.8	178.2	-69.7	-175.5	175.2	-178.2	0	109.4	A656 W660 R661	A656-K658 PolarHBondContact O-N 3.37Å; K658-W660 HydrophobicContact CB-CG 4.44Å; K658-W660 PolarHBondContact O-N 3.09Å; K658-R661 PolarHBondContact O-N 3.15Å
659	L	86.3	Confident	66.3	Low	3 Å²	3	44.4 Å²	44.4	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-51.7	-32.2	-170.6	-172.5	64.8	0	0	0	114.3	L594 L600 F610 M617 S657 R661 W662 V663	L594-L659 HydrophobicContact CD1-CD1 3.84Å; L600-L659 HydrophobicContact CD1-CD2 3.56Å; F610-L659 HydrophobicContact CB-CB 4.01Å; F610-L659 HydrophobicContact CB-CD2 4.4Å; F610-L659 HydrophobicContact CD1-CD2 4.03Å; F610-L659 PolarHBondContact O-N 3.04Å; M617-L659 HydrophobicContact CE-CD1 4.31Å; M617-L659 HydrophobicContact CE-CD2 3.82Å; S657-L659 PolarHBondContact O-N 3.38Å; L659-R661 PolarHBondContact O-N 2.89Å; L659-R661 VanDerWaalsContact O-N 3.17Å; L659-W662 HydrophobicContact CD1-CB 4.38Å; L659-W662 WeakPolarHBondContact O-CA 3.29Å; L659-W662 WeakPolarHBondContact O-CB 3.36Å; L659-W662 PolarHBondContact O-N 2.98Å; L659-V663 HydrophobicContact CG-CG2 4.2Å; L659-V663 WeakPolarHBondContact O-CG2 3.3Å; L659-V663 PolarHBondContact O-N 2.95Å
660	W	86.1	Confident	69.4	Low	33 Å²	33	40 Å²	40	13%	0.125	22%	0.221	C	C	.	.	H	α-helix	trans	-56.3	-31.2	178.4	68.9	-104.5	0	0	0	113.6	V597 K658 V663 F664 L915 V920 A924 M926	V597-W660 HydrophobicContact CG2-CB 4.08Å; K658-W660 HydrophobicContact CB-CG 4.44Å; K658-W660 PolarHBondContact O-N 3.09Å; W660-V663 PolarHBondContact O-N 2.68Å; W660-F664 WeakPolarHBondContact O-CB 3.5Å; W660-F664 PolarHBondContact O-N 3.03Å; W660-L915 HydrophobicContact CE3-CD1 4.26Å; W660-L915 HydrophobicContact CE3-CD2 3.79Å; W660-L915 HydrophobicContact CH2-CD1 3.92Å; W660-L915 HydrophobicContact CZ3-CD1 3.42Å; W660-L915 VanDerWaalsContact CZ3-CD1 3.42Å; W660-L915 HydrophobicContact CZ3-CD2 3.66Å; W660-L915 HydrophobicContact CZ3-CG 4.18Å; W660-V920 HydrophobicContact CZ3-CG2 3.9Å; W660-A924 WeakPolarHBondContact CH2-O 3.41Å; W660-A924 WeakPolarHBondContact CZ2-O 3.04Å; W660-M926 HydrophobicContact CB-SD 4.2Å; W660-M926 HydrophobicContact CD2-CG 4.06Å; W660-M926 HydrophobicContact CD2-SD 4.34Å; W660-M926 HydrophobicContact CE3-CG 3.91Å; W660-M926 HydrophobicContact CE3-SD 4.4Å; W660-M926 HydrophobicContact CG-SD 4.26Å; W660-M926 HydrophobicContact CZ3-CG 4.25Å
661	R	87.7	Confident	72.6	Confident	20 Å²	20	36.3 Å²	36.3	8%	0.075	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-43.4	174.6	-66.7	-171.5	-165.3	155.4	7.6	111	K658 L659 L665 V920 G923	K658-R661 PolarHBondContact O-N 3.15Å; L659-R661 PolarHBondContact O-N 2.89Å; L659-R661 VanDerWaalsContact O-N 3.17Å; R661-L665 WeakPolarHBondContact O-CB 3.38Å; R661-L665 VanDerWaalsContact O-CG 3.28Å; R661-L665 WeakPolarHBondContact O-CG 3.23Å; R661-L665 PolarHBondContact O-N 3.24Å; R661-V920 HydrophobicContact CB-CG1 4.43Å; R661-V920 HydrophobicContact CG-CG1 4.38Å; R661-G923 VanDerWaalsContact CZ-CA 3.5Å; R661-G923 VanDerWaalsContact NH2-C 3.33Å; R661-G923 PolarHBondContact NH2-O 3.09Å
662	W	90.4	Very high	75.6	Confident	8 Å²	8	33.5 Å²	33.5	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-67.4	-36.2	175.1	-75.4	103.9	0	0	0	112.3	L594 F612 A631 V634 L640 S657 L659 T666	L594-W662 HydrophobicContact CD1-CB 3.94Å; F612-W662 HydrophobicContact CB-CD2 4.12Å; F612-W662 HydrophobicContact CB-CG 3.95Å; F612-W662 HydrophobicContact CD1-CD2 4.37Å; F612-W662 HydrophobicContact CD1-CE3 4.48Å; F612-W662 HydrophobicContact CD1-CH2 4.43Å; F612-W662 HydrophobicContact CD1-CZ2 4.34Å; F612-W662 HydrophobicContact CD2-CB 3.73Å; F612-W662 AromaticContact CD2-CD2 3.54Å; F612-W662 HydrophobicContact CD2-CD2 3.54Å; F612-W662 AromaticContact CD2-CE3 3.71Å; F612-W662 HydrophobicContact CD2-CE3 3.71Å; F612-W662 AromaticContact CD2-CG 3.59Å; F612-W662 HydrophobicContact CD2-CG 3.59Å; F612-W662 HydrophobicContact CD2-CZ3 4.46Å; F612-W662 HydrophobicContact CE1-CE3 4.39Å; F612-W662 HydrophobicContact CE1-CH2 4.36Å; F612-W662 HydrophobicContact CE1-CZ3 4.23Å; F612-W662 HydrophobicContact CE2-CB 4.34Å; F612-W662 AromaticContact CE2-CD2 3.96Å; F612-W662 HydrophobicContact CE2-CD2 3.96Å; F612-W662 AromaticContact CE2-CE3 3.6Å; F612-W662 HydrophobicContact CE2-CE3 3.6Å; F612-W662 HydrophobicContact CE2-CG 4.33Å; F612-W662 HydrophobicContact CE2-CZ3 4.15Å; F612-W662 AromaticContact CG-CD2 3.77Å; F612-W662 HydrophobicContact CG-CD2 3.77Å; F612-W662 AromaticContact CG-CE2 3.93Å; F612-W662 HydrophobicContact CG-CE3 4.16Å; F612-W662 AromaticContact CG-CG 3.96Å; F612-W662 HydrophobicContact CG-CG 3.96Å; F612-W662 HydrophobicContact CG-CZ2 4.42Å; F612-W662 AromaticContact CZ-CE3 3.95Å; F612-W662 HydrophobicContact CZ-CE3 3.95Å; F612-W662 HydrophobicContact CZ-CZ3 4.01Å; A631-W662 HydrophobicContact CB-CH2 4.02Å; A631-W662 HydrophobicContact CB-CZ3 4.14Å; V634-W662 HydrophobicContact CB-CZ3 4.34Å; V634-W662 HydrophobicContact CG1-CZ3 4.26Å; L640-W662 HydrophobicContact CD1-CH2 3.27Å; L640-W662 HydrophobicContact CD1-CZ2 3.63Å; L640-W662 HydrophobicContact CD1-CZ3 3.83Å; L640-W662 HydrophobicContact CD2-CZ2 4.41Å; S657-W662 PolarHBondContact OG-NE1 3.18Å; S657-W662 VanDerWaalsContact OG-NE1 3.13Å; L659-W662 HydrophobicContact CD1-CB 4.38Å; L659-W662 WeakPolarHBondContact O-CA 3.29Å; L659-W662 WeakPolarHBondContact O-CB 3.36Å; L659-W662 PolarHBondContact O-N 2.98Å; W662-T666 WeakPolarHBondContact O-CB 3.31Å; W662-T666 VanDerWaalsContact O-CG2 3.27Å; W662-T666 WeakPolarHBondContact O-CG2 3.37Å; W662-T666 PolarHBondContact O-N 3.28Å; W662-T666 PolarHBondContact O-OG1 3.32Å
663	V	93	Very high	78.7	Confident	6 Å²	6	29.6 Å²	29.6	4%	0.036	15%	0.15	C	C	.	.	H	α-helix	trans	-61.4	-54.2	173.2	174.5	0	0	0	0	110.5	L594 P595 F596 V597 L659 W660 L665 T666 Q667	L594-V663 HydrophobicContact CB-CB 4.5Å; L594-V663 HydrophobicContact CB-CG2 3.92Å; L594-V663 HydrophobicContact CD1-CG2 4.02Å; P595-V663 WeakPolarHBondContact O-CG1 3.29Å; P595-V663 WeakPolarHBondContact O-CG2 3.37Å; F596-V663 HydrophobicContact CD1-CG1 4.21Å; V597-V663 HydrophobicContact CG2-CG2 4.13Å; L659-V663 HydrophobicContact CG-CG2 4.2Å; L659-V663 WeakPolarHBondContact O-CG2 3.3Å; L659-V663 PolarHBondContact O-N 2.95Å; W660-V663 PolarHBondContact O-N 2.68Å; V663-L665 PolarHBondContact O-N 2.93Å; V663-T666 PolarHBondContact O-OG1 2.6Å; V663-Q667 WeakPolarHBondContact O-CB 3.4Å; V663-Q667 WeakPolarHBondContact O-CG 3.41Å; V663-Q667 PolarHBondContact O-N 2.83Å
664	F	93.7	Very high	81.9	Confident	9 Å²	9	22.3 Å²	22.3	4%	0.039	12%	0.122	C	C	.	.	H	α-helix	trans	-57.7	-51.2	178.4	176.3	-90.9	0	0	0	111.7	W660 Q667 L668 I724 F869 W871 L915 L917 V920	W660-F664 WeakPolarHBondContact O-CB 3.5Å; W660-F664 PolarHBondContact O-N 3.03Å; F664-Q667 PolarHBondContact O-N 3.09Å; F664-L668 HydrophobicContact CE1-CD2 3.75Å; F664-L668 HydrophobicContact CZ-CD2 4.05Å; F664-L668 WeakPolarHBondContact O-CB 3.44Å; F664-L668 PolarHBondContact O-N 3.12Å; F664-I724 HydrophobicContact CD2-CD1 4Å; F664-I724 HydrophobicContact CE2-CD1 4.26Å; F664-F869 HydrophobicContact CZ-CB 4.07Å; F664-W871 HydrophobicContact CD2-CB 4.18Å; F664-W871 HydrophobicContact CD2-CG 4.39Å; F664-W871 HydrophobicContact CE2-CB 3.73Å; F664-W871 HydrophobicContact CE2-CG 4.4Å; F664-L915 HydrophobicContact CB-CD2 3.99Å; F664-L915 HydrophobicContact CD2-CD2 3.53Å; F664-L915 HydrophobicContact CD2-CG 4.29Å; F664-L915 HydrophobicContact CE2-CD2 4.1Å; F664-L915 HydrophobicContact CE2-CG 4.38Å; F664-L915 HydrophobicContact CG-CD2 3.81Å; F664-L917 HydrophobicContact CE1-CD1 4.11Å; F664-V920 HydrophobicContact CD1-CG2 3.64Å; F664-V920 HydrophobicContact CE1-CG2 3.85Å; F664-V920 HydrophobicContact CG-CG2 4.25Å
665	L	94.1	Very high	85	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69	-36.5	-175.6	-68.2	175	0	0	0	113.4	V634 F638 L640 R661 V663 L668 Y669 L917 V920	V634-L665 HydrophobicContact CG1-CB 3.81Å; V634-L665 HydrophobicContact CG1-CD1 3.93Å; V634-L665 HydrophobicContact CG1-CG 4.44Å; V634-L665 HydrophobicContact CG2-CB 4.14Å; F638-L665 HydrophobicContact CB-CD1 4.44Å; F638-L665 HydrophobicContact CB-CD2 3.87Å; F638-L665 HydrophobicContact CD1-CD2 3.92Å; F638-L665 HydrophobicContact CD2-CD2 4.03Å; F638-L665 HydrophobicContact CE1-CD2 4.44Å; F638-L665 HydrophobicContact CG-CD2 3.67Å; L640-L665 HydrophobicContact CD2-CD1 3.53Å; L640-L665 HydrophobicContact CG-CD1 4.44Å; R661-L665 WeakPolarHBondContact O-CB 3.38Å; R661-L665 VanDerWaalsContact O-CG 3.28Å; R661-L665 WeakPolarHBondContact O-CG 3.23Å; R661-L665 PolarHBondContact O-N 3.24Å; V663-L665 PolarHBondContact O-N 2.93Å; L665-L668 PolarHBondContact O-N 2.94Å; L665-Y669 WeakPolarHBondContact O-CB 3.45Å; L665-Y669 PolarHBondContact O-N 3.09Å; L665-L917 HydrophobicContact CD2-CD1 3.89Å; L665-V920 HydrophobicContact CD1-CG1 3.9Å; L665-V920 HydrophobicContact CD2-CG1 4.18Å; L665-V920 HydrophobicContact CG-CG1 4.08Å
666	T	95.2	Very high	87.9	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-70.9	-39.5	175.6	56.1	0	0	0	0	112.1	L594 F612 M630 V634 W662 V663 Q670	L594-T666 PolarHBondContact N-OG1 2.97Å; F612-T666 HydrophobicContact CE2-CG2 4.49Å; M630-T666 HydrophobicContact CB-CG2 4.02Å; M630-T666 HydrophobicContact CG-CG2 4.25Å; M630-T666 HydrophobicContact SD-CG2 3.92Å; V634-T666 HydrophobicContact CG2-CG2 3.95Å; W662-T666 WeakPolarHBondContact O-CB 3.31Å; W662-T666 VanDerWaalsContact O-CG2 3.27Å; W662-T666 WeakPolarHBondContact O-CG2 3.37Å; W662-T666 PolarHBondContact O-N 3.28Å; W662-T666 PolarHBondContact O-OG1 3.32Å; V663-T666 PolarHBondContact O-OG1 2.6Å; T666-Q670 WeakPolarHBondContact O-CB 3.49Å; T666-Q670 PolarHBondContact O-N 3.29Å
667	Q	97	Very high	90.8	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-67.2	-36	173.3	-71	-171.5	21.4	0	0	112.4	L594 V663 F664 Q670 A671 K723 I724	L594-Q667 PolarHBondContact O-NE2 2.57Å; V663-Q667 WeakPolarHBondContact O-CB 3.4Å; V663-Q667 WeakPolarHBondContact O-CG 3.41Å; V663-Q667 PolarHBondContact O-N 2.83Å; F664-Q667 PolarHBondContact O-N 3.09Å; Q667-Q670 PolarHBondContact O-N 3.02Å; Q667-A671 VanDerWaalsContact O-CB 3.31Å; Q667-A671 WeakPolarHBondContact O-CB 3.45Å; Q667-A671 PolarHBondContact O-N 3.28Å; Q667-K723 HydrophobicContact CG-CB 4.18Å; Q667-K723 HydrophobicContact CG-CD 4.09Å; Q667-K723 HydrophobicContact CG-CG 4.4Å; Q667-K723 VanDerWaalsContact OE1-CA 3.26Å; Q667-I724 HydrophobicContact CB-CB 4.16Å; Q667-I724 HydrophobicContact CB-CD1 3.86Å; Q667-I724 HydrophobicContact CB-CG1 3.95Å
668	L	96.3	Very high	93	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-70.7	-41.4	178.1	-177.4	59.4	0	0	0	111.4	F638 F664 L665 A671 I672 I724 F869	F638-L668 HydrophobicContact CE1-CD2 3.65Å; F638-L668 HydrophobicContact CE1-CG 4.29Å; F638-L668 HydrophobicContact CZ-CB 4.38Å; F638-L668 HydrophobicContact CZ-CD2 3.65Å; F638-L668 HydrophobicContact CZ-CG 3.77Å; F664-L668 HydrophobicContact CE1-CD2 3.75Å; F664-L668 HydrophobicContact CZ-CD2 4.05Å; F664-L668 WeakPolarHBondContact O-CB 3.44Å; F664-L668 PolarHBondContact O-N 3.12Å; L665-L668 PolarHBondContact O-N 2.94Å; L668-A671 PolarHBondContact O-N 2.04Å; L668-I672 HydrophobicContact CD1-CD1 3.81Å; L668-I672 HydrophobicContact CD1-CG1 4.3Å; L668-I672 HydrophobicContact CG-CD1 4.04Å; L668-I672 WeakPolarHBondContact O-CG1 3.35Å; L668-I672 PolarHBondContact O-N 3.37Å; L668-I672 VanDerWaalsContact O-N 3.09Å; L668-I724 HydrophobicContact CB-CD1 4.01Å; L668-I724 HydrophobicContact CD1-CG2 4.3Å; L668-F869 HydrophobicContact CD1-CB 4.18Å; L668-F869 HydrophobicContact CD1-CD1 3.5Å; L668-F869 VanDerWaalsContact CD1-CD1 3.5Å; L668-F869 HydrophobicContact CD1-CE1 3.95Å; L668-F869 HydrophobicContact CD1-CG 3.79Å; L668-F869 HydrophobicContact CD2-CB 4Å; L668-F869 HydrophobicContact CD2-CD1 4.31Å; L668-F869 HydrophobicContact CD2-CD2 3.85Å; L668-F869 HydrophobicContact CD2-CE2 4.41Å; L668-F869 HydrophobicContact CD2-CG 3.77Å; L668-F869 HydrophobicContact CG-CD1 4.5Å; L668-F869 HydrophobicContact CG-CG 4.43Å
669	Y	95.3	Very high	94.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-58.9	-48.3	171.7	-176.6	-88.1	0	0	0	111.5	D573 M574 W575 F591 N633 H637 L665 A671 I672 A673	D573-Y669 WeakPolarHBondContact OD1-CE2 3.23Å; D573-Y669 PolarHBondContact OD1-OH 2.91Å; M574-Y669 PolarHBondContact N-OH 2.92Å; W575-Y669 AromaticContact CD1-CD2 3.87Å; W575-Y669 AromaticContact CD1-CE2 3.32Å; W575-Y669 AromaticContact CD1-CZ 3.6Å; W575-Y669 HydrophobicContact CD2-CE2 4.3Å; W575-Y669 AromaticContact CE2-CD2 3.65Å; W575-Y669 AromaticContact CE2-CE2 3.81Å; W575-Y669 AromaticContact CG-CE2 4Å; W575-Y669 HydrophobicContact CG-CE2 4Å; W575-Y669 AromaticContact CZ2-CD2 4Å; W575-Y669 HydrophobicContact CZ2-CD2 4Å; W575-Y669 AromaticContact NE1-CD2 3.22Å; W575-Y669 AromaticContact NE1-CE2 3.2Å; W575-Y669 AromaticContact NE1-CG 3.79Å; W575-Y669 AromaticContact NE1-CZ 3.77Å; W575-Y669 PolarHBondContact NE1-O 3.36Å; W575-Y669 VanDerWaalsContact NE1-O 3.16Å; F591-Y669 AromaticContact CD1-CD1 3.55Å; F591-Y669 HydrophobicContact CD1-CD1 3.55Å; F591-Y669 AromaticContact CD1-CE1 3.82Å; F591-Y669 HydrophobicContact CD1-CE1 3.82Å; F591-Y669 HydrophobicContact CD2-CE1 4.27Å; F591-Y669 AromaticContact CE1-CD1 3.42Å; F591-Y669 HydrophobicContact CE1-CD1 3.42Å; F591-Y669 VanDerWaalsContact CE1-CD1 3.42Å; F591-Y669 AromaticContact CE1-CE1 3.73Å; F591-Y669 HydrophobicContact CE1-CE1 3.73Å; F591-Y669 HydrophobicContact CE2-CE1 4.21Å; F591-Y669 HydrophobicContact CG-CD1 4.26Å; F591-Y669 HydrophobicContact CG-CE1 4.08Å; F591-Y669 HydrophobicContact CZ-CD1 4.04Å; F591-Y669 AromaticContact CZ-CE1 3.93Å; F591-Y669 HydrophobicContact CZ-CE1 3.93Å; N633-Y669 HydrophobicContact CB-CD1 4.07Å; N633-Y669 HydrophobicContact CB-CD2 4.12Å; N633-Y669 HydrophobicContact CB-CE1 3.69Å; N633-Y669 HydrophobicContact CB-CE2 3.74Å; N633-Y669 HydrophobicContact CB-CG 4.28Å; N633-Y669 PolarHBondContact ND2-OH 3.39Å; N633-Y669 WeakPolarHBondContact O-CD2 3.42Å; H637-Y669 AromaticContact CD2-CE2 3.67Å; L665-Y669 WeakPolarHBondContact O-CB 3.45Å; L665-Y669 PolarHBondContact O-N 3.09Å; Y669-A671 PolarHBondContact O-N 2.91Å; Y669-I672 PolarHBondContact O-N 3.42Å; Y669-A673 HydrophobicContact CE1-CB 4.18Å; Y669-A673 VanDerWaalsContact O-CB 3.3Å; Y669-A673 WeakPolarHBondContact O-CB 3.26Å; Y669-A673 PolarHBondContact O-N 3.48Å
670	Q	96.5	Very high	94.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-56.2	-47.8	175.8	-174.6	-164.9	44.5	0	0	111.4	F591 T666 Q667 I672 A673 Y674 W713 S714 A725	F591-Q670 PolarHBondContact O-NE2 2.85Å; T666-Q670 WeakPolarHBondContact O-CB 3.49Å; T666-Q670 PolarHBondContact O-N 3.29Å; Q667-Q670 PolarHBondContact O-N 3.02Å; Q670-I672 PolarHBondContact O-N 2.89Å; Q670-A673 PolarHBondContact O-N 3Å; Q670-Y674 HydrophobicContact CG-CD1 4.08Å; Q670-Y674 HydrophobicContact CG-CE1 3.66Å; Q670-Y674 HydrophobicContact CG-CE2 4.3Å; Q670-Y674 WeakPolarHBondContact O-CB 3.49Å; Q670-Y674 WeakPolarHBondContact O-CD1 3.36Å; Q670-Y674 PolarHBondContact O-N 2.89Å; Q670-W713 PolarHBondContact NE2-O 3.34Å; Q670-S714 PolarHBondContact NE2-O 2.73Å; Q670-A725 HydrophobicContact CG-CB 4.15Å
671	A	97.4	Very high	95.2	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61.2	-43.2	-178	0	0	0	0	0	113.2	Q667 L668 Y669 K675 I724 A725 Y728	Q667-A671 VanDerWaalsContact O-CB 3.31Å; Q667-A671 WeakPolarHBondContact O-CB 3.45Å; Q667-A671 PolarHBondContact O-N 3.28Å; L668-A671 PolarHBondContact O-N 2.04Å; Y669-A671 PolarHBondContact O-N 2.91Å; A671-K675 WeakPolarHBondContact O-CB 3.32Å; A671-K675 PolarHBondContact O-N 2.91Å; A671-I724 HydrophobicContact CB-CB 4.15Å; A671-I724 HydrophobicContact CB-CG2 3.71Å; A671-A725 HydrophobicContact CB-CB 4.08Å; A671-Y728 HydrophobicContact CB-CD1 4.13Å; A671-Y728 HydrophobicContact CB-CD2 3.89Å; A671-Y728 HydrophobicContact CB-CE2 4.36Å; A671-Y728 HydrophobicContact CB-CG 3.78Å
672	I	95.4	Very high	95.7	Very high	20 Å²	20	5.4 Å²	5.4	10%	0.103	3%	0.027	C	C	.	.	H	α-helix	trans	-75.6	-37.9	179.9	-64.5	167.6	0	0	0	110.9	W575 L668 Y669 Q670 Y674 K675 T676 Y728 F869	W575-I672 HydrophobicContact CD2-CB 4.28Å; W575-I672 HydrophobicContact CD2-CG2 3.56Å; W575-I672 HydrophobicContact CE3-CG2 3.92Å; W575-I672 HydrophobicContact CG-CG2 4.11Å; W575-I672 HydrophobicContact CH2-CB 4.26Å; W575-I672 HydrophobicContact CH2-CD1 3.48Å; W575-I672 VanDerWaalsContact CH2-CD1 3.48Å; W575-I672 HydrophobicContact CH2-CG1 4.46Å; W575-I672 HydrophobicContact CH2-CG2 4.02Å; W575-I672 HydrophobicContact CZ2-CB 3.57Å; W575-I672 HydrophobicContact CZ2-CD1 3.48Å; W575-I672 VanDerWaalsContact CZ2-CD1 3.48Å; W575-I672 HydrophobicContact CZ2-CG1 4.1Å; W575-I672 HydrophobicContact CZ2-CG2 3.65Å; W575-I672 HydrophobicContact CZ3-CD1 4.35Å; W575-I672 HydrophobicContact CZ3-CG2 4.14Å; L668-I672 HydrophobicContact CD1-CD1 3.81Å; L668-I672 HydrophobicContact CD1-CG1 4.3Å; L668-I672 HydrophobicContact CG-CD1 4.04Å; L668-I672 WeakPolarHBondContact O-CG1 3.35Å; L668-I672 PolarHBondContact O-N 3.37Å; L668-I672 VanDerWaalsContact O-N 3.09Å; Y669-I672 PolarHBondContact O-N 3.42Å; Q670-I672 PolarHBondContact O-N 2.89Å; I672-Y674 VanDerWaalsContact C-N 3.32Å; I672-Y674 PolarHBondContact O-N 3.22Å; I672-K675 WeakPolarHBondContact O-CB 3.47Å; I672-K675 PolarHBondContact O-N 3.15Å; I672-T676 PolarHBondContact O-N 2.93Å; I672-T676 PolarHBondContact O-OG1 3.22Å; I672-T676 VanDerWaalsContact O-OG1 3.09Å; I672-Y728 HydrophobicContact CG1-CE1 4.11Å; I672-F869 HydrophobicContact CD1-CE1 3.74Å; I672-F869 HydrophobicContact CD1-CZ 3.73Å
673	A	94.7	Very high	96	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.4	-44	171.2	0	0	0	0	0	111.6	M574 Y669 Q670 T676 M677	M574-A673 HydrophobicContact CB-CB 3.8Å; Y669-A673 HydrophobicContact CE1-CB 4.18Å; Y669-A673 VanDerWaalsContact O-CB 3.3Å; Y669-A673 WeakPolarHBondContact O-CB 3.26Å; Y669-A673 PolarHBondContact O-N 3.48Å; Q670-A673 PolarHBondContact O-N 3Å; A673-T676 PolarHBondContact O-N 3.22Å; A673-M677 HydrophobicContact CB-CE 4.28Å; A673-M677 WeakPolarHBondContact O-CB 3.14Å; A673-M677 WeakPolarHBondContact O-CE 3.42Å; A673-M677 WeakPolarHBondContact O-CG 3.1Å; A673-M677 PolarHBondContact O-N 2.96Å
674	Y	97.4	Very high	96.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-67.6	-38.9	180	-76	28.1	0	0	0	110.9	G590 F591 Q670 I672 M677 V678 Y701 W702 W713 T715	G590-Y674 VanDerWaalsContact CA-OH 3.27Å; G590-Y674 WeakPolarHBondContact CA-OH 3.39Å; F591-Y674 HydrophobicContact CB-CE1 4.03Å; F591-Y674 VanDerWaalsContact N-CE1 3.33Å; F591-Y674 PolarHBondContact N-OH 2.95Å; F591-Y674 PolarHBondContact O-OH 3.48Å; Q670-Y674 HydrophobicContact CG-CD1 4.08Å; Q670-Y674 HydrophobicContact CG-CE1 3.66Å; Q670-Y674 HydrophobicContact CG-CE2 4.3Å; Q670-Y674 WeakPolarHBondContact O-CB 3.49Å; Q670-Y674 WeakPolarHBondContact O-CD1 3.36Å; Q670-Y674 PolarHBondContact O-N 2.89Å; I672-Y674 VanDerWaalsContact C-N 3.32Å; I672-Y674 PolarHBondContact O-N 3.22Å; Y674-M677 HydrophobicContact CD1-CE 3.76Å; Y674-M677 HydrophobicContact CE1-CE 4.24Å; Y674-V678 WeakPolarHBondContact O-CB 3.28Å; Y674-V678 WeakPolarHBondContact O-CG2 3.43Å; Y674-V678 PolarHBondContact O-N 3.03Å; Y674-Y701 HydrophobicContact CD2-CD1 4.16Å; Y674-Y701 HydrophobicContact CD2-CD2 4.4Å; Y674-Y701 HydrophobicContact CD2-CG 4.06Å; Y674-Y701 HydrophobicContact CE2-CD1 4.37Å; Y674-Y701 AromaticContact CE2-CD2 3.83Å; Y674-Y701 HydrophobicContact CE2-CD2 3.83Å; Y674-Y701 HydrophobicContact CE2-CE2 4.39Å; Y674-Y701 AromaticContact CE2-CG 3.81Å; Y674-Y701 HydrophobicContact CE2-CG 3.81Å; Y674-W702 PolarHBondContact OH-O 2.85Å; Y674-W713 PolarHBondContact OH-O 2.84Å; Y674-T715 HydrophobicContact CD2-CG2 4.4Å; Y674-T715 HydrophobicContact CE2-CG2 4.03Å
675	K	96.9	Very high	96.3	Very high	28 Å²	28	6.4 Å²	6.4	12%	0.122	3%	0.03	C	C	.	.	H	α-helix	trans	-57.8	-53.5	171	-175.8	-172.5	-169.8	-66.5	0	111.6	A671 I672 M677 E679 Y728 F732 N825 V826	A671-K675 WeakPolarHBondContact O-CB 3.32Å; A671-K675 PolarHBondContact O-N 2.91Å; I672-K675 WeakPolarHBondContact O-CB 3.47Å; I672-K675 PolarHBondContact O-N 3.15Å; K675-M677 PolarHBondContact O-N 2.86Å; K675-E679 VanDerWaalsContact CE-OE1 3.29Å; K675-E679 WeakPolarHBondContact CE-OE1 3.36Å; K675-E679 HydrophobicContact CG-CG 4.47Å; K675-E679 WeakPolarHBondContact CG-OE1 3.06Å; K675-E679 IonicContact NZ-OE1 3.89Å; K675-E679 PolarHBondContact NZ-OE1 2.81Å; K675-E679 IonicContact NZ-OE2 3.88Å; K675-E679 WeakPolarHBondContact O-CB 3.22Å; K675-E679 WeakPolarHBondContact O-CG 3.04Å; K675-E679 PolarHBondContact O-N 3.44Å; K675-Y728 HydrophobicContact CB-CD1 4.16Å; K675-Y728 HydrophobicContact CD-CD1 4.05Å; K675-Y728 HydrophobicContact CD-CE1 4.12Å; K675-F732 HydrophobicContact CB-CD1 4.08Å; K675-N825 WeakPolarHBondContact CE-OD1 3.36Å; K675-N825 PolarHBondContact NZ-ND2 2.77Å; K675-N825 PolarHBondContact NZ-OD1 2.79Å; K675-V826 WeakPolarHBondContact CE-O 3.26Å; K675-V826 PolarHBondContact NZ-O 2.95Å
676	T	94.9	Very high	96.4	Very high	27 Å²	27	8.8 Å²	8.8	17%	0.166	5%	0.047	C	C	.	.	H	α-helix	trans	-59.5	-47.8	-177.9	-60.5	0	0	0	0	111.9	W575 I672 A673 H680	W575-T676 WeakPolarHBondContact O-CG2 3.38Å; I672-T676 PolarHBondContact O-N 2.93Å; I672-T676 PolarHBondContact O-OG1 3.22Å; I672-T676 VanDerWaalsContact O-OG1 3.09Å; A673-T676 PolarHBondContact O-N 3.22Å; T676-H680 WeakPolarHBondContact O-CB 3.36Å; T676-H680 PolarHBondContact O-N 2.99Å
677	M	96.1	Very high	96.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.4	-53.3	178.2	-79.7	-171.8	-71.8	0	0	112.9	M574 H580 F589 A673 Y674 K675 E679 H680 W681	M574-M677 HydrophobicContact CE-CE 3.57Å; M574-M677 HydrophobicContact CE-SD 3.49Å; M574-M677 WeakPolarHBondContact CE-SD 3.34Å; H580-M677 VanDerWaalsContact CE1-CG 3.45Å; H580-M677 WeakPolarHBondContact CE1-CG 3.42Å; H580-M677 WeakPolarHBondContact NE2-CG 2.97Å; F589-M677 HydrophobicContact CD2-CB 4.46Å; F589-M677 HydrophobicContact CD2-CE 3.63Å; F589-M677 HydrophobicContact CD2-SD 3.69Å; F589-M677 HydrophobicContact CE2-CB 4.31Å; F589-M677 HydrophobicContact CE2-CE 4.02Å; F589-M677 HydrophobicContact CE2-SD 4.37Å; F589-M677 HydrophobicContact CG-SD 4.46Å; A673-M677 HydrophobicContact CB-CE 4.28Å; A673-M677 WeakPolarHBondContact O-CB 3.14Å; A673-M677 WeakPolarHBondContact O-CE 3.42Å; A673-M677 WeakPolarHBondContact O-CG 3.1Å; A673-M677 PolarHBondContact O-N 2.96Å; Y674-M677 HydrophobicContact CD1-CE 3.76Å; Y674-M677 HydrophobicContact CE1-CE 4.24Å; K675-M677 PolarHBondContact O-N 2.86Å; M677-E679 PolarHBondContact O-N 3.4Å; M677-H680 WeakPolarHBondContact O-CB 3.3Å; M677-H680 PolarHBondContact O-N 3.19Å; M677-W681 HydrophobicContact CB-CE3 4.09Å; M677-W681 HydrophobicContact CB-CH2 3.87Å; M677-W681 HydrophobicContact CB-CZ3 3.58Å; M677-W681 HydrophobicContact CG-CH2 4.02Å; M677-W681 HydrophobicContact CG-CZ3 4.24Å; M677-W681 VanDerWaalsContact O-CE3 3.23Å; M677-W681 PolarHBondContact O-N 3.33Å; M677-W681 HydrophobicContact SD-CH2 3.83Å; M677-W681 HydrophobicContact SD-CZ3 4.26Å
678	V	97.6	Very high	96.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-67.5	-38.4	-177.1	175	0	0	0	0	111.4	F589 Y674 W681 R682 F732 F733	F589-V678 HydrophobicContact CE1-CG2 4.43Å; F589-V678 HydrophobicContact CE2-CG2 3.95Å; F589-V678 HydrophobicContact CZ-CG2 3.42Å; F589-V678 VanDerWaalsContact CZ-CG2 3.42Å; Y674-V678 WeakPolarHBondContact O-CB 3.28Å; Y674-V678 WeakPolarHBondContact O-CG2 3.43Å; Y674-V678 PolarHBondContact O-N 3.03Å; V678-W681 PolarHBondContact O-N 2.97Å; V678-R682 HydrophobicContact CG1-CG 4.03Å; V678-R682 VanDerWaalsContact O-CB 3.3Å; V678-R682 WeakPolarHBondContact O-CB 3.12Å; V678-R682 VanDerWaalsContact O-CG 3.31Å; V678-R682 WeakPolarHBondContact O-CG 3.48Å; V678-R682 PolarHBondContact O-N 2.6Å; V678-F732 HydrophobicContact CB-CB 4.48Å; V678-F732 HydrophobicContact CB-CD2 3.76Å; V678-F732 HydrophobicContact CB-CE2 4.07Å; V678-F732 HydrophobicContact CB-CG 4.15Å; V678-F732 HydrophobicContact CG1-CB 4.32Å; V678-F732 HydrophobicContact CG1-CD2 3.55Å; V678-F732 HydrophobicContact CG1-CE2 4.12Å; V678-F732 HydrophobicContact CG1-CG 4.19Å; V678-F732 HydrophobicContact CG2-CD2 3.97Å; V678-F732 HydrophobicContact CG2-CE2 3.74Å; V678-F732 HydrophobicContact CG2-CZ 4.26Å; V678-F733 HydrophobicContact CG1-CD1 3.91Å; V678-F733 HydrophobicContact CG1-CE1 3.61Å; V678-F733 HydrophobicContact CG2-CE1 4.3Å
679	E	97.2	Very high	96.3	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.033	8%	0.081	C	C	.	.	H	α-helix	trans	-61.6	-44.2	174.3	-80.1	-172	-144.8	0	0	112	K675 M677 R682 R683 L737 S739 N825	K675-E679 VanDerWaalsContact CE-OE1 3.29Å; K675-E679 WeakPolarHBondContact CE-OE1 3.36Å; K675-E679 HydrophobicContact CG-CG 4.47Å; K675-E679 WeakPolarHBondContact CG-OE1 3.06Å; K675-E679 IonicContact NZ-OE1 3.89Å; K675-E679 PolarHBondContact NZ-OE1 2.81Å; K675-E679 IonicContact NZ-OE2 3.88Å; K675-E679 WeakPolarHBondContact O-CB 3.22Å; K675-E679 WeakPolarHBondContact O-CG 3.04Å; K675-E679 PolarHBondContact O-N 3.44Å; M677-E679 PolarHBondContact O-N 3.4Å; E679-R682 PolarHBondContact O-N 3.32Å; E679-R683 WeakPolarHBondContact O-CG 3.37Å; E679-R683 PolarHBondContact O-N 2.56Å; E679-L737 HydrophobicContact CG-CD2 4.21Å; E679-S739 WeakPolarHBondContact CB-OG 3.48Å; E679-S739 VanDerWaalsContact OE2-CB 3.27Å; E679-S739 WeakPolarHBondContact OE2-CB 3.48Å; E679-S739 PolarHBondContact OE2-OG 3.43Å; E679-N825 VanDerWaalsContact CD-ND2 3.25Å; E679-N825 PolarHBondContact OE1-ND2 2.97Å; E679-N825 PolarHBondContact OE2-ND2 2.86Å
680	H	96	Very high	96.3	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-54.6	-57.2	173.7	168.5	85.9	0	0	0	111.4	H580 P581 T676 M677 R682 R683 W684	H580-H680 VanDerWaalsContact CB-CD2 3.5Å; H580-H680 WeakPolarHBondContact CB-CD2 3.44Å; H580-H680 PolarHBondContact O-NE2 3.21Å; H580-H680 VanDerWaalsContact O-NE2 3.08Å; P581-H680 PolarHBondContact O-NE2 3.14Å; P581-H680 VanDerWaalsContact O-NE2 3.07Å; T676-H680 WeakPolarHBondContact O-CB 3.36Å; T676-H680 PolarHBondContact O-N 2.99Å; M677-H680 WeakPolarHBondContact O-CB 3.3Å; M677-H680 PolarHBondContact O-N 3.19Å; H680-R682 VanDerWaalsContact C-N 3.33Å; H680-R682 PolarHBondContact O-N 3.35Å; H680-R683 WeakPolarHBondContact O-CB 3.49Å; H680-R683 PolarHBondContact O-N 3.14Å; H680-W684 AromaticContact CE1-CD1 3.62Å; H680-W684 AromaticContact CE1-NE1 3.19Å; H680-W684 PolarHBondContact CE1-NE1 2.87Å; H680-W684 AromaticContact CG-CD1 3.97Å; H680-W684 AromaticContact ND1-CD1 3.68Å; H680-W684 AromaticContact ND1-NE1 3.34Å; H680-W684 PolarHBondContact ND1-NE1 2.82Å; H680-W684 AromaticContact NE2-CD1 3.81Å; H680-W684 AromaticContact NE2-NE1 3.81Å; H680-W684 PolarHBondContact O-N 3.32Å
681	W	97.3	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-36.7	-179.8	-66	-44.3	0	0	0	113.4	Y568 H580 P581 I586 F589 M677 V678 R683 W684 T696 T699	Y568-W681 HydrophobicContact CD1-CH2 4.28Å; Y568-W681 HydrophobicContact CD1-CZ2 4.26Å; H580-W681 HydrophobicContact CB-CZ2 4.44Å; P581-W681 HydrophobicContact CG-CZ2 4.32Å; P581-W681 PolarHBondContact O-NE1 3.37Å; I586-W681 HydrophobicContact CB-CE3 4.44Å; I586-W681 HydrophobicContact CB-CZ3 4.4Å; I586-W681 HydrophobicContact CD1-CD2 4.45Å; I586-W681 HydrophobicContact CD1-CZ2 4.04Å; I586-W681 HydrophobicContact CG1-CD2 3.65Å; I586-W681 HydrophobicContact CG1-CE3 3.99Å; I586-W681 HydrophobicContact CG1-CG 4.08Å; I586-W681 HydrophobicContact CG1-CH2 4.19Å; I586-W681 HydrophobicContact CG1-CZ2 3.88Å; I586-W681 HydrophobicContact CG1-CZ3 4.22Å; I586-W681 HydrophobicContact CG2-CH2 4Å; I586-W681 HydrophobicContact CG2-CZ2 4.35Å; I586-W681 HydrophobicContact CG2-CZ3 4.17Å; F589-W681 HydrophobicContact CB-CH2 3.89Å; F589-W681 HydrophobicContact CB-CZ3 4.19Å; F589-W681 HydrophobicContact CD1-CE3 4.47Å; F589-W681 HydrophobicContact CD1-CH2 4.1Å; F589-W681 AromaticContact CD1-CZ3 3.56Å; F589-W681 HydrophobicContact CD1-CZ3 3.56Å; F589-W681 AromaticContact CD2-CH2 4Å; F589-W681 HydrophobicContact CD2-CH2 4Å; F589-W681 AromaticContact CD2-CZ3 3.62Å; F589-W681 HydrophobicContact CD2-CZ3 3.62Å; F589-W681 HydrophobicContact CE1-CE3 4.32Å; F589-W681 AromaticContact CE1-CZ3 3.71Å; F589-W681 HydrophobicContact CE1-CZ3 3.71Å; F589-W681 AromaticContact CE2-CZ3 3.79Å; F589-W681 HydrophobicContact CE2-CZ3 3.79Å; F589-W681 AromaticContact CG-CH2 3.71Å; F589-W681 HydrophobicContact CG-CH2 3.71Å; F589-W681 AromaticContact CG-CZ3 3.49Å; F589-W681 HydrophobicContact CG-CZ3 3.49Å; F589-W681 VanDerWaalsContact CG-CZ3 3.49Å; F589-W681 HydrophobicContact CZ-CE3 4.43Å; F589-W681 AromaticContact CZ-CZ3 3.82Å; F589-W681 HydrophobicContact CZ-CZ3 3.82Å; M677-W681 HydrophobicContact CB-CE3 4.09Å; M677-W681 HydrophobicContact CB-CH2 3.87Å; M677-W681 HydrophobicContact CB-CZ3 3.58Å; M677-W681 HydrophobicContact CG-CH2 4.02Å; M677-W681 HydrophobicContact CG-CZ3 4.24Å; M677-W681 VanDerWaalsContact O-CE3 3.23Å; M677-W681 PolarHBondContact O-N 3.33Å; M677-W681 HydrophobicContact SD-CH2 3.83Å; M677-W681 HydrophobicContact SD-CZ3 4.26Å; V678-W681 PolarHBondContact O-N 2.97Å; W681-R683 VanDerWaalsContact C-N 3.33Å; W681-R683 PolarHBondContact O-N 2.64Å; W681-W684 PolarHBondContact O-N 2.89Å; W681-W684 VanDerWaalsContact O-N 3.15Å; W681-T696 HydrophobicContact CB-CG2 3.8Å; W681-T696 HydrophobicContact CG-CG2 4.13Å; W681-T696 WeakPolarHBondContact O-CB 3.47Å; W681-T699 HydrophobicContact CB-CG2 3.51Å; W681-T699 HydrophobicContact CD2-CG2 4.15Å; W681-T699 HydrophobicContact CE3-CG2 3.68Å; W681-T699 HydrophobicContact CG-CG2 4.12Å
682	R	97.6	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.2	-26.6	174.5	-72.7	-169	80.3	-160.6	-0.4	113.3	F387 V678 E679 H680 R685 F732 A734 L737 I753 D755 A793	F387-R682 HydrophobicContact CE1-CG 3.95Å; F387-R682 HydrophobicContact CE2-CG 4.1Å; F387-R682 HydrophobicContact CZ-CB 4.43Å; F387-R682 HydrophobicContact CZ-CG 3.57Å; V678-R682 HydrophobicContact CG1-CG 4.03Å; V678-R682 VanDerWaalsContact O-CB 3.3Å; V678-R682 WeakPolarHBondContact O-CB 3.12Å; V678-R682 VanDerWaalsContact O-CG 3.31Å; V678-R682 WeakPolarHBondContact O-CG 3.48Å; V678-R682 PolarHBondContact O-N 2.6Å; E679-R682 PolarHBondContact O-N 3.32Å; H680-R682 VanDerWaalsContact C-N 3.33Å; H680-R682 PolarHBondContact O-N 3.35Å; R682-R685 WeakPolarHBondContact O-CG 3.39Å; R682-F732 WeakPolarHBondContact CD-O 3.11Å; R682-F732 PolarHBondContact NH1-O 3.49Å; R682-A734 PolarHBondContact NH1-O 2.84Å; R682-A734 PolarHBondContact NH2-O 3.32Å; R682-L737 VanDerWaalsContact NH1-CD2 3.34Å; R682-I753 HydrophobicContact CB-CD1 3.93Å; R682-I753 HydrophobicContact CB-CG2 4.09Å; R682-D755 IonicContact CZ-OD1 3.37Å; R682-D755 IonicContact CZ-OD2 3.15Å; R682-D755 IonicContact NH2-OD1 3.85Å; R682-D755 PolarHBondContact NH2-OD1 3.2Å; R682-D755 IonicContact NH2-OD2 3.06Å; R682-D755 PolarHBondContact NH2-OD2 2.8Å; R682-A793 WeakPolarHBondContact O-CB 3.49Å
683	R	96.6	Very high	96.2	Very high	6 Å²	6	27.4 Å²	27.4	2%	0.023	16%	0.162	C	C	.	.	H	α-helix	trans	-69.3	-34.2	168.6	-69.6	-174.1	-56.1	-96	8.1	112.3	E679 H680 W681 R685 S739 E741 Y751 I753	E679-R683 WeakPolarHBondContact O-CG 3.37Å; E679-R683 PolarHBondContact O-N 2.56Å; H680-R683 WeakPolarHBondContact O-CB 3.49Å; H680-R683 PolarHBondContact O-N 3.14Å; W681-R683 VanDerWaalsContact C-N 3.33Å; W681-R683 PolarHBondContact O-N 2.64Å; R683-R685 VanDerWaalsContact C-N 3.32Å; R683-R685 PolarHBondContact O-N 2.89Å; R683-S739 PolarHBondContact NH1-OG 3.43Å; R683-E741 IonicContact CZ-OE1 3.36Å; R683-E741 VanDerWaalsContact NE-CD 3.34Å; R683-E741 IonicContact NE-OE1 3.14Å; R683-E741 PolarHBondContact NE-OE1 2.81Å; R683-E741 IonicContact NE-OE2 3.08Å; R683-E741 IonicContact NH2-OE1 2.72Å; R683-E741 PolarHBondContact NH2-OE1 2.92Å; R683-Y751 HydrophobicContact CB-CD1 4.32Å; R683-Y751 HydrophobicContact CB-CG 4.42Å; R683-Y751 HydrophobicContact CG-CD1 4.17Å; R683-Y751 HydrophobicContact CG-CD2 4.02Å; R683-Y751 HydrophobicContact CG-CG 3.78Å; R683-I753 HydrophobicContact CG-CD1 4.01Å
684	W	96.6	Very high	96.3	Very high	33 Å²	33	27.4 Å²	27.4	13%	0.125	16%	0.162	C	C	.	.	H	α-helix	trans	-76.9	-5.9	-177.6	-75.4	105.8	0	0	0	115.6	V582 H680 W681 S686 R687 D689 H695 T696	V582-W684 HydrophobicContact CG1-CB 4.41Å; V582-W684 HydrophobicContact CG1-CD2 3.39Å; V582-W684 HydrophobicContact CG1-CE3 3.51Å; V582-W684 HydrophobicContact CG1-CG 3.77Å; V582-W684 HydrophobicContact CG1-CH2 4.38Å; V582-W684 HydrophobicContact CG1-CZ2 4.26Å; V582-W684 HydrophobicContact CG1-CZ3 4.03Å; H680-W684 AromaticContact CE1-CD1 3.62Å; H680-W684 AromaticContact CE1-NE1 3.19Å; H680-W684 PolarHBondContact CE1-NE1 2.87Å; H680-W684 AromaticContact CG-CD1 3.97Å; H680-W684 AromaticContact ND1-CD1 3.68Å; H680-W684 AromaticContact ND1-NE1 3.34Å; H680-W684 PolarHBondContact ND1-NE1 2.82Å; H680-W684 AromaticContact NE2-CD1 3.81Å; H680-W684 AromaticContact NE2-NE1 3.81Å; H680-W684 PolarHBondContact O-N 3.32Å; W681-W684 PolarHBondContact O-N 2.89Å; W681-W684 VanDerWaalsContact O-N 3.15Å; W684-S686 VanDerWaalsContact C-N 3.27Å; W684-S686 PolarHBondContact O-N 3.21Å; W684-S686 VanDerWaalsContact O-N 3.15Å; W684-R687 HydrophobicContact CD2-CG 4.33Å; W684-R687 HydrophobicContact CE3-CG 3.53Å; W684-R687 VanDerWaalsContact CE3-NE 3.28Å; W684-R687 VanDerWaalsContact CZ2-NH2 3.33Å; W684-R687 HydrophobicContact CZ3-CG 3.78Å; W684-R687 VanDerWaalsContact CZ3-NE 3.27Å; W684-R687 PolarHBondContact O-N 3.23Å; W684-R687 VanDerWaalsContact O-O 3.12Å; W684-D689 HydrophobicContact CH2-CB 3.92Å; W684-D689 HydrophobicContact CZ3-CB 3.9Å; W684-H695 VanDerWaalsContact O-CA 3.29Å; W684-H695 WeakPolarHBondContact O-CA 3.32Å; W684-H695 PolarHBondContact O-N 3.2Å; W684-T696 WeakPolarHBondContact CB-OG1 3.38Å; W684-T696 PolarHBondContact O-N 2.96Å
685	R	96.7	Very high	96.3	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.015	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.9	-176.1	73.4	-178.7	-73.5	163.9	2.9	116.8	F387 R682 R683 T696 M697 S754 D755 L791 A793	F387-R685 HydrophobicContact CD2-CB 4Å; F387-R685 HydrophobicContact CE2-CB 3.94Å; R682-R685 WeakPolarHBondContact O-CG 3.39Å; R683-R685 VanDerWaalsContact C-N 3.32Å; R683-R685 PolarHBondContact O-N 2.89Å; R685-T696 WeakPolarHBondContact CA-O 3.19Å; R685-T696 WeakPolarHBondContact CB-O 3.28Å; R685-M697 HydrophobicContact CB-SD 4.36Å; R685-S754 PolarHBondContact NH1-O 3Å; R685-D755 IonicContact CZ-OD1 2.74Å; R685-D755 IonicContact NH1-OD1 2.78Å; R685-D755 PolarHBondContact NH1-OD1 3.41Å; R685-L791 VanDerWaalsContact CZ-O 3.3Å; R685-L791 PolarHBondContact NE-O 2.86Å; R685-L791 VanDerWaalsContact NH2-C 3.26Å; R685-L791 PolarHBondContact NH2-O 3.45Å; R685-A793 HydrophobicContact CG-CB 3.57Å
686	S	96.4	Very high	96.4	Very high	50 Å²	50	28.1 Å²	28.1	35%	0.35	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	12.8	-172.8	-63.1	0	0	0	0	113.8	W684 S792 A793	W684-S686 VanDerWaalsContact C-N 3.27Å; W684-S686 PolarHBondContact O-N 3.21Å; W684-S686 VanDerWaalsContact O-N 3.15Å; S686-S792 WeakPolarHBondContact OG-CA 3.47Å; S686-A793 WeakPolarHBondContact CB-O 3.23Å; S686-A793 PolarHBondContact OG-N 3.28Å
687	R	95.1	Very high	96.5	Very high	61 Å²	61	27.2 Å²	27.2	23%	0.23	16%	0.16	C	C	.	.			trans	-142.3	161.5	-179.5	66.2	169.9	-174.1	-166.3	-5.7	112.1	W684 H695 E741 Y751	W684-R687 HydrophobicContact CD2-CG 4.33Å; W684-R687 HydrophobicContact CE3-CG 3.53Å; W684-R687 VanDerWaalsContact CE3-NE 3.28Å; W684-R687 VanDerWaalsContact CZ2-NH2 3.33Å; W684-R687 HydrophobicContact CZ3-CG 3.78Å; W684-R687 VanDerWaalsContact CZ3-NE 3.27Å; W684-R687 PolarHBondContact O-N 3.23Å; W684-R687 VanDerWaalsContact O-O 3.12Å; R687-H695 PolarHBondContact O-N 2.67Å; R687-E741 IonicContact CZ-OE2 3.75Å; R687-E741 IonicContact NH1-OE2 3.93Å; R687-E741 IonicContact NH2-OE1 3.19Å; R687-E741 PolarHBondContact NH2-OE1 3.07Å; R687-E741 IonicContact NH2-OE2 3.62Å; R687-E741 PolarHBondContact NH2-OE2 2.79Å; R687-Y751 PolarHBondContact NH1-OH 2.97Å
688	F	96.7	Very high	96.6	Very high	74 Å²	74	27.4 Å²	27.4	33%	0.325	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-114.4	158	167	-57.6	-81.7	0	0	0	110.6	A371 P372 L376 G692 R693 H695	A371-F688 HydrophobicContact CB-CE1 4.03Å; A371-F688 HydrophobicContact CB-CZ 4.28Å; P372-F688 HydrophobicContact CG-CD1 4.37Å; P372-F688 HydrophobicContact CG-CD2 3.75Å; P372-F688 HydrophobicContact CG-CE2 3.92Å; P372-F688 HydrophobicContact CG-CG 3.98Å; P372-F688 HydrophobicContact CG-CZ 4.3Å; L376-F688 HydrophobicContact CD2-CE1 4.1Å; L376-F688 HydrophobicContact CD2-CZ 3.88Å; F688-G692 WeakPolarHBondContact CD1-O 3.32Å; F688-R693 CarbonylContact C-O 3.57Å; F688-R693 WeakPolarHBondContact CA-O 3.32Å; F688-R693 WeakPolarHBondContact CB-O 3.47Å; F688-H695 HydrophobicContact CD1-CB 4.31Å; F688-H695 HydrophobicContact CE1-CB 3.57Å; F688-H695 HydrophobicContact CZ-CB 3.81Å
689	D	94.8	Very high	96.6	Very high	34 Å²	34	27.4 Å²	27.4	18%	0.182	16%	0.161	C	C	.	.			trans	-86.1	179	167	81.6	-13.8	0	0	0	111.5	W684 S691 G692 R693	W684-D689 HydrophobicContact CH2-CB 3.92Å; W684-D689 HydrophobicContact CZ3-CB 3.9Å; D689-S691 PolarHBondContact O-N 2.87Å; D689-S691 VanDerWaalsContact O-N 3.12Å; D689-S691 VanDerWaalsContact OD1-C 3.3Å; D689-S691 WeakPolarHBondContact OD1-CA 3.48Å; D689-S691 WeakPolarHBondContact OD1-CB 3.44Å; D689-S691 PolarHBondContact OD1-N 3.17Å; D689-G692 PolarHBondContact O-N 3.09Å; D689-G692 PolarHBondContact OD1-N 3.12Å; D689-R693 PolarHBondContact N-O 3.31Å; D689-R693 WeakPolarHBondContact OD1-CB 3.11Å; D689-R693 PolarHBondContact OD1-N 3.22Å; D689-R693 IonicContact OD1-NE 3.35Å; D689-R693 IonicContact OD2-CZ 2.73Å; D689-R693 IonicContact OD2-NE 3.25Å; D689-R693 PolarHBondContact OD2-NE 3.37Å; D689-R693 IonicContact OD2-NH2 3.51Å; D689-R693 PolarHBondContact OD2-NH2 3.33Å
690	G	93.9	Very high	96.7	Very high	92 Å²	92	27 Å²	27	95%	0.948	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.1	177.6	0	0	0	0	0	114.9
691	S	94.5	Very high	96.8	Very high	78 Å²	78	26.7 Å²	26.7	55%	0.545	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	5.3	176.9	-57.5	0	0	0	0	112.8	A373 D689 R693	A373-S691 WeakPolarHBondContact CB-O 3.31Å; D689-S691 PolarHBondContact O-N 2.87Å; D689-S691 VanDerWaalsContact O-N 3.12Å; D689-S691 VanDerWaalsContact OD1-C 3.3Å; D689-S691 WeakPolarHBondContact OD1-CA 3.48Å; D689-S691 WeakPolarHBondContact OD1-CB 3.44Å; D689-S691 PolarHBondContact OD1-N 3.17Å; S691-R693 VanDerWaalsContact C-N 3.27Å; S691-R693 PolarHBondContact O-N 2.93Å
692	G	96.2	Very high	96.9	Very high	4 Å²	4	27 Å²	27	4%	0.041	16%	0.159	C	C	.	.	S	Bend	trans	74.7	9	-178.3	0	0	0	0	0	115.1	R584 F688 D689	R584-G692 PolarHBondContact NH1-O 3.31Å; R584-G692 PolarHBondContact NH2-O 2.93Å; F688-G692 WeakPolarHBondContact CD1-O 3.32Å; D689-G692 PolarHBondContact O-N 3.09Å; D689-G692 PolarHBondContact OD1-N 3.12Å
693	R	96.9	Very high	96.9	Very high	70 Å²	70	27 Å²	27	26%	0.264	16%	0.159	S	C	.	.			trans	-74.9	160.4	170.8	-57.2	-177.6	-64.3	172.2	3.7	109.8	E561 L562 V582 F688 D689 S691	E561-R693 HydrophobicContact CB-CG 4.12Å; E561-R693 VanDerWaalsContact CD-CD 3.48Å; E561-R693 VanDerWaalsContact CD-NH1 3.32Å; E561-R693 VanDerWaalsContact OE1-CD 3.29Å; E561-R693 WeakPolarHBondContact OE1-CD 3.2Å; E561-R693 IonicContact OE1-CZ 3.65Å; E561-R693 IonicContact OE1-NE 3.1Å; E561-R693 IonicContact OE1-NH1 3.32Å; E561-R693 PolarHBondContact OE1-NH1 2.86Å; E561-R693 IonicContact OE2-CZ 3.49Å; E561-R693 IonicContact OE2-NE 3.08Å; E561-R693 IonicContact OE2-NH1 2.8Å; E561-R693 PolarHBondContact OE2-NH1 2.92Å; E561-R693 VanDerWaalsContact OE2-NH1 3.11Å; L562-R693 HydrophobicContact CD2-CB 4.48Å; L562-R693 HydrophobicContact CD2-CG 3.67Å; L562-R693 HydrophobicContact CG-CG 4.36Å; V582-R693 HydrophobicContact CB-CB 4.02Å; V582-R693 HydrophobicContact CG1-CB 4.15Å; V582-R693 WeakPolarHBondContact O-CB 3.09Å; F688-R693 CarbonylContact C-O 3.57Å; F688-R693 WeakPolarHBondContact CA-O 3.32Å; F688-R693 WeakPolarHBondContact CB-O 3.47Å; D689-R693 PolarHBondContact N-O 3.31Å; D689-R693 WeakPolarHBondContact OD1-CB 3.11Å; D689-R693 PolarHBondContact OD1-N 3.22Å; D689-R693 IonicContact OD1-NE 3.35Å; D689-R693 IonicContact OD2-CZ 2.73Å; D689-R693 IonicContact OD2-NE 3.25Å; D689-R693 PolarHBondContact OD2-NE 3.37Å; D689-R693 IonicContact OD2-NH2 3.51Å; D689-R693 PolarHBondContact OD2-NH2 3.33Å; S691-R693 VanDerWaalsContact C-N 3.27Å; S691-R693 PolarHBondContact O-N 2.93Å
694	G	96.4	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	113.4	-154.9	-178.5	0	0	0	0	0	113.7	V582 R584 T696	V582-G694 WeakPolarHBondContact O-CA 3.48Å; V582-G694 PolarHBondContact O-N 2.62Å; R584-G694 WeakPolarHBondContact CD-O 3.35Å; R584-G694 VanDerWaalsContact NH1-N 3.19Å; R584-G694 PolarHBondContact NH1-O 3.48Å; G694-T696 PolarHBondContact O-N 3.25Å
695	H	97.8	Very high	97.1	Very high	42 Å²	42	25.3 Å²	25.3	19%	0.194	15%	0.153	C	C	.	.			trans	53	44.1	-166	-165.4	-68.9	0	0	0	111.7	L376 Y378 W684 R687 F688 M697	L376-H695 HydrophobicContact CD2-CB 3.92Å; Y378-H695 AromaticContact CD1-CE1 3.73Å; W684-H695 VanDerWaalsContact O-CA 3.29Å; W684-H695 WeakPolarHBondContact O-CA 3.32Å; W684-H695 PolarHBondContact O-N 3.2Å; R687-H695 PolarHBondContact O-N 2.67Å; F688-H695 HydrophobicContact CD1-CB 4.31Å; F688-H695 HydrophobicContact CE1-CB 3.57Å; F688-H695 HydrophobicContact CZ-CB 3.81Å; H695-M697 PolarHBondContact O-N 2.81Å
696	T	98.3	Very high	97.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.153	C	C	.	.			trans	-67.9	122.6	-179.1	-42	0	0	0	0	110.4	F387 A583 R584 W681 W684 R685 G694	F387-T696 WeakPolarHBondContact CE2-O 3.38Å; A583-T696 WeakPolarHBondContact O-CA 3.48Å; A583-T696 VanDerWaalsContact O-CB 3.26Å; A583-T696 WeakPolarHBondContact O-CB 3.25Å; A583-T696 VanDerWaalsContact O-CG2 3.29Å; A583-T696 WeakPolarHBondContact O-CG2 3.41Å; A583-T696 PolarHBondContact O-OG1 3.19Å; R584-T696 CarbonylContact O-C 3.52Å; R584-T696 VanDerWaalsContact O-CA 3.29Å; R584-T696 WeakPolarHBondContact O-CA 3.29Å; W681-T696 HydrophobicContact CB-CG2 3.8Å; W681-T696 HydrophobicContact CG-CG2 4.13Å; W681-T696 WeakPolarHBondContact O-CB 3.47Å; W684-T696 WeakPolarHBondContact CB-OG1 3.38Å; W684-T696 PolarHBondContact O-N 2.96Å; R685-T696 WeakPolarHBondContact CA-O 3.19Å; R685-T696 WeakPolarHBondContact CB-O 3.28Å; G694-T696 PolarHBondContact O-N 3.25Å
697	M	98.4	Very high	97.2	Very high	9 Å²	9	23 Å²	23	4%	0.044	14%	0.137	C	C	.	.			trans	-125.5	13	-171.9	-81.1	-69	-68.5	0	0	113.6	Y378 P385 F387 L388 R584 R685 H695	Y378-M697 VanDerWaalsContact CB-CB 3.47Å; Y378-M697 HydrophobicContact CD2-CE 4.24Å; Y378-M697 HydrophobicContact CG-CE 4.4Å; Y378-M697 HydrophobicContact CG-CG 4.36Å; P385-M697 HydrophobicContact CB-CE 3.85Å; F387-M697 CarbonylContact C-O 3.56Å; F387-M697 WeakPolarHBondContact CA-O 3.27Å; F387-M697 HydrophobicContact CB-CE 4.43Å; F387-M697 HydrophobicContact CB-SD 4.41Å; F387-M697 HydrophobicContact CD2-SD 4.05Å; L388-M697 PolarHBondContact N-O 3.38Å; R584-M697 PolarHBondContact O-N 3.36Å; R685-M697 HydrophobicContact CB-SD 4.36Å; H695-M697 PolarHBondContact O-N 2.81Å
698	C	97.8	Very high	97.3	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.02	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	132.1	-174.4	132.6	0	0	0	0	110.1	L388 C585 I586	L388-C698 HydrophobicContact CB-CB 4Å; L388-C698 HydrophobicContact CD1-CB 4.25Å; L388-C698 HydrophobicContact CG-CB 4.39Å; L388-C698 WeakPolarHBondContact O-CA 3.36Å; C585-C698 VanDerWaalsContact C-SG 3.57Å; C585-C698 WeakPolarHBondContact CA-SG 3.07Å; C585-C698 HydrophobicContact CB-CB 3.47Å; C585-C698 VanDerWaalsContact CB-CB 3.47Å; C585-C698 WeakPolarHBondContact CB-SG 3.07Å; C585-C698 WeakPolarHBondContact SG-CB 3.44Å; C585-C698 CovalentContact SG-SG 2.03Å; C585-C698 PolarHBondContact SG-SG 2.86Å; I586-C698 VanDerWaalsContact C-SG 3.55Å; I586-C698 PolarHBondContact N-O 2.86Å; I586-C698 PolarHBondContact N-SG 2.71Å; I586-C698 PolarHBondContact O-SG 3.07Å; I586-C698 VanDerWaalsContact O-SG 3.39Å
699	T	98.2	Very high	97.4	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	103.5	170.2	56.6	0	0	0	0	109.3	F387 L388 G390 I586 W681 F733	F387-T699 HydrophobicContact CE1-CG2 4.16Å; F387-T699 HydrophobicContact CZ-CG2 3.97Å; L388-T699 PolarHBondContact O-N 3.31Å; G390-T699 PolarHBondContact N-O 2.86Å; I586-T699 CarbonylContact O-C 3.48Å; I586-T699 WeakPolarHBondContact O-CA 3.34Å; W681-T699 HydrophobicContact CB-CG2 3.51Å; W681-T699 HydrophobicContact CD2-CG2 4.15Å; W681-T699 HydrophobicContact CE3-CG2 3.68Å; W681-T699 HydrophobicContact CG-CG2 4.12Å; T699-F733 WeakPolarHBondContact OG1-CE1 3.45Å
700	L	98.7	Very high	97.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	110.4	176	-54.1	-179.8	0	0	0	108.7	L388 G390 N392 C422 R424 W448 I586 S587 E588 F589	L388-L700 HydrophobicContact CB-CD2 4.35Å; G390-L700 WeakPolarHBondContact O-CA 3.38Å; N392-L700 PolarHBondContact ND2-O 3.22Å; C422-L700 HydrophobicContact CB-CD2 3.91Å; R424-L700 HydrophobicContact CB-CD1 4.13Å; W448-L700 HydrophobicContact CE3-CD1 4.49Å; I586-L700 PolarHBondContact O-N 2.75Å; S587-L700 CarbonylContact C-O 3.44Å; S587-L700 WeakPolarHBondContact O-CB 3.36Å; E588-L700 WeakPolarHBondContact CA-O 3.33Å; F589-L700 WeakPolarHBondContact CD1-O 3.5Å
701	Y	98.3	Very high	97.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	149.1	-179.8	58.3	-106.2	0	0	0	112.4	G390 A391 N392 M420 F589 Y674 Q703 T715 H726 A729 F732 F733	G390-Y701 VanDerWaalsContact O-CD1 3.24Å; G390-Y701 WeakPolarHBondContact O-CD1 3.49Å; G390-Y701 PolarHBondContact O-N 2.76Å; A391-Y701 CarbonylContact C-O 3.26Å; A391-Y701 VanDerWaalsContact CA-O 3.24Å; A391-Y701 WeakPolarHBondContact CA-O 3.35Å; A391-Y701 HydrophobicContact CB-CD1 4.43Å; A391-Y701 HydrophobicContact CB-CD2 3.64Å; A391-Y701 HydrophobicContact CB-CE1 4.28Å; A391-Y701 HydrophobicContact CB-CE2 3.42Å; A391-Y701 VanDerWaalsContact CB-CE2 3.42Å; A391-Y701 HydrophobicContact CB-CG 4.16Å; N392-Y701 PolarHBondContact N-O 2.83Å; N392-Y701 PolarHBondContact ND2-O 3.46Å; N392-Y701 VanDerWaalsContact ND2-O 3.07Å; M420-Y701 HydrophobicContact CE-CE1 4.14Å; M420-Y701 WeakPolarHBondContact CE-OH 3.44Å; F589-Y701 HydrophobicContact CZ-CD1 4.49Å; F589-Y701 CarbonylContact O-C 3.54Å; F589-Y701 WeakPolarHBondContact O-CA 3.48Å; F589-Y701 WeakPolarHBondContact O-CB 3.07Å; Y674-Y701 HydrophobicContact CD2-CD1 4.16Å; Y674-Y701 HydrophobicContact CD2-CD2 4.4Å; Y674-Y701 HydrophobicContact CD2-CG 4.06Å; Y674-Y701 HydrophobicContact CE2-CD1 4.37Å; Y674-Y701 AromaticContact CE2-CD2 3.83Å; Y674-Y701 HydrophobicContact CE2-CD2 3.83Å; Y674-Y701 HydrophobicContact CE2-CE2 4.39Å; Y674-Y701 AromaticContact CE2-CG 3.81Å; Y674-Y701 HydrophobicContact CE2-CG 3.81Å; Y701-Q703 WeakPolarHBondContact CE2-O 3.23Å; Y701-T715 HydrophobicContact CD2-CG2 4.17Å; Y701-T715 HydrophobicContact CE2-CG2 3.38Å; Y701-T715 PolarHBondContact OH-OG1 3.5Å; Y701-H726 PolarHBondContact OH-ND1 3.31Å; Y701-A729 HydrophobicContact CE1-CB 4.18Å; Y701-F732 HydrophobicContact CE1-CE2 4.47Å; Y701-F732 HydrophobicContact CE1-CZ 4.32Å; Y701-F733 HydrophobicContact CD1-CE2 4.3Å; Y701-F733 HydrophobicContact CD1-CZ 4.27Å; Y701-F733 AromaticContact CE1-CE2 3.92Å; Y701-F733 HydrophobicContact CE1-CE2 3.92Å; Y701-F733 HydrophobicContact CE1-CZ 4.34Å
702	W	98.3	Very high	97.7	Very high	8 Å²	8	7.4 Å²	7.4	3%	0.03	3%	0.033	C	C	.	.	S	Bend	trans	-83.9	123.7	159.7	-162.8	-99.4	0	0	0	107.6	W235 N392 V394 W426 Y569 E588 F589 Y674 W713	W235-W702 AromaticContact CD1-NE1 3.81Å; W235-W702 AromaticContact CE2-CZ2 3.69Å; W235-W702 HydrophobicContact CZ2-CH2 4.32Å; W235-W702 AromaticContact CZ2-CZ2 3.73Å; W235-W702 HydrophobicContact CZ2-CZ2 3.73Å; W235-W702 AromaticContact NE1-CE2 3.77Å; W235-W702 AromaticContact NE1-CZ2 3.4Å; W235-W702 AromaticContact NE1-NE1 3.57Å; N392-W702 HydrophobicContact CB-CD2 4.31Å; N392-W702 HydrophobicContact CB-CE3 3.34Å; N392-W702 HydrophobicContact CB-CH2 4.32Å; N392-W702 HydrophobicContact CB-CZ3 3.37Å; V394-W702 HydrophobicContact CG1-CH2 3.6Å; V394-W702 HydrophobicContact CG1-CZ2 3.63Å; W426-W702 HydrophobicContact CB-CH2 3.94Å; W426-W702 HydrophobicContact CB-CZ3 3.97Å; W426-W702 AromaticContact CD1-CH2 3.55Å; W426-W702 AromaticContact CD1-CZ3 3.44Å; W426-W702 VanDerWaalsContact CD1-CZ3 3.44Å; W426-W702 AromaticContact CD2-CH2 3.6Å; W426-W702 HydrophobicContact CD2-CH2 3.6Å; W426-W702 HydrophobicContact CD2-CZ3 4.27Å; W426-W702 AromaticContact CE2-CH2 3.82Å; W426-W702 HydrophobicContact CE3-CH2 4.22Å; W426-W702 AromaticContact CG-CH2 3.45Å; W426-W702 HydrophobicContact CG-CH2 3.45Å; W426-W702 VanDerWaalsContact CG-CH2 3.45Å; W426-W702 AromaticContact CG-CZ3 3.66Å; W426-W702 HydrophobicContact CG-CZ3 3.66Å; W426-W702 AromaticContact NE1-CH2 3.75Å; W426-W702 AromaticContact NE1-CZ3 3.93Å; Y569-W702 HydrophobicContact CE1-CB 4.19Å; Y569-W702 WeakPolarHBondContact OH-CB 3.37Å; E588-W702 HydrophobicContact CG-CE3 3.9Å; E588-W702 WeakPolarHBondContact OE1-CZ3 3.49Å; F589-W702 PolarHBondContact O-N 2.72Å; Y674-W702 PolarHBondContact OH-O 2.85Å; W702-W713 AromaticContact CD1-CD2 3.86Å; W702-W713 AromaticContact CD1-CG 3.65Å; W702-W713 WeakPolarHBondContact O-CB 3.4Å
703	Q	97.9	Very high	97.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	3%	0.034	C	C	.	.			cis	-132.2	170.2	-12.5	64.8	-163.9	73.4	0	0	109.1	Y701 N705 W713 S714 T715	Y701-Q703 WeakPolarHBondContact CE2-O 3.23Å; Q703-N705 PolarHBondContact NE2-O 2.97Å; Q703-W713 HydrophobicContact CG-CB 4.3Å; Q703-W713 PolarHBondContact N-O 2.91Å; Q703-S714 CarbonylContact O-C 3.53Å; Q703-S714 VanDerWaalsContact O-CA 3.3Å; Q703-S714 WeakPolarHBondContact O-CA 3.44Å; Q703-T715 PolarHBondContact O-N 2.93Å
704	L	98.7	Very high	97.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.021	C	C	.	.	S	Bend	trans	-72.4	-61.9	177.8	-177.5	70.5	0	0	0	111.5	A391 N392 W393 S415 M420 L423 T715 I716	A391-L704 HydrophobicContact CB-CB 3.89Å; A391-L704 HydrophobicContact CB-CD1 4.24Å; N392-L704 WeakPolarHBondContact O-CB 3.42Å; N392-L704 PolarHBondContact O-N 3.34Å; W393-L704 HydrophobicContact CE3-CD2 3.65Å; W393-L704 HydrophobicContact CZ3-CD2 3.99Å; S415-L704 WeakPolarHBondContact OG-CD2 3.27Å; M420-L704 HydrophobicContact CE-CD1 3.88Å; M420-L704 HydrophobicContact SD-CD1 4.27Å; L423-L704 HydrophobicContact CD1-CD2 4.24Å; L423-L704 HydrophobicContact CD2-CD2 4.15Å; L704-T715 PolarHBondContact O-N 3.27Å; L704-T715 PolarHBondContact O-OG1 3.23Å; L704-I716 HydrophobicContact CD1-CD1 4.34Å; L704-I716 PolarHBondContact O-N 2.96Å
705	N	98.4	Very high	98	Very high	3 Å²	3	4.6 Å²	4.6	2%	0.016	2%	0.021	C	C	.	.			trans	-126	172.4	-161.9	63.9	-73	0	0	0	112.6	V394 P395 L411 Q703 I716	V394-N705 VanDerWaalsContact CG2-O 3.27Å; V394-N705 WeakPolarHBondContact CG2-O 3.43Å; V394-N705 PolarHBondContact N-OD1 2.83Å; V394-N705 PolarHBondContact O-ND2 3.33Å; V394-N705 PolarHBondContact O-OD1 2.91Å; P395-N705 PolarHBondContact O-ND2 3.33Å; L411-N705 HydrophobicContact CD1-CB 4.06Å; L411-N705 HydrophobicContact CD2-CB 4.01Å; Q703-N705 PolarHBondContact NE2-O 2.97Å; N705-I716 WeakPolarHBondContact CA-O 3.45Å
706	D	98.4	Very high	98	Very high	3 Å²	3	2.6 Å²	2.6	2%	0.016	1%	0.012	C	C	.	.			trans	-113.5	149.9	176.6	-73.9	-46.5	0	0	0	114	S712 S714 D717	D706-S712 VanDerWaalsContact CG-OG 3.31Å; D706-S712 WeakPolarHBondContact OD1-CB 3.45Å; D706-S712 PolarHBondContact OD1-OG 3.29Å; D706-S712 PolarHBondContact OD2-OG 3.23Å; D706-S714 WeakPolarHBondContact OD1-CB 3.3Å; D706-S714 PolarHBondContact OD1-OG 3.32Å; D706-S714 WeakPolarHBondContact OD2-CB 3.36Å; D706-S714 PolarHBondContact OD2-OG 2.84Å; D706-D717 WeakPolarHBondContact OD2-CA 3.49Å
707	V	97.5	Very high	97.9	Very high	2 Å²	2	2.7 Å²	2.7	1%	0.012	1%	0.012	C	C	.	.	S	Bend	trans	-78.5	-32.5	168.7	159	0	0	0	0	112.5	Y98 W235 A236 P395 S398 Y718	Y98-V707 VanDerWaalsContact CE2-O 3.28Å; Y98-V707 WeakPolarHBondContact CE2-O 3.45Å; Y98-V707 WeakPolarHBondContact OH-CG1 3.27Å; Y98-V707 PolarHBondContact OH-O 2.82Å; W235-V707 HydrophobicContact CE3-CG2 4.29Å; W235-V707 HydrophobicContact CZ3-CB 4.44Å; W235-V707 HydrophobicContact CZ3-CG2 3.71Å; A236-V707 HydrophobicContact CB-CG1 4.35Å; P395-V707 HydrophobicContact CB-CG2 4.1Å; P395-V707 WeakPolarHBondContact O-CG2 3.48Å; S398-V707 VanDerWaalsContact OG-CG1 3.26Å; S398-V707 WeakPolarHBondContact OG-CG1 3.44Å; V707-Y718 VanDerWaalsContact C-CD2 3.46Å; V707-Y718 VanDerWaalsContact O-CD2 3.27Å; V707-Y718 WeakPolarHBondContact O-CD2 3.31Å; V707-Y718 WeakPolarHBondContact O-CE2 3.46Å
708	W	98	Very high	97.9	Very high	1 Å²	1	3.4 Å²	3.4	0%	0.004	2%	0.015	C	C	.	.	S	Bend	trans	-159.6	174.6	-172.7	74.3	-37.1	0	0	0	111.3	Y98 W235 P237 R620 H622 A710	Y98-W708 HydrophobicContact CD2-CB 3.95Å; Y98-W708 HydrophobicContact CE1-CB 4.24Å; Y98-W708 HydrophobicContact CE2-CB 3.5Å; Y98-W708 HydrophobicContact CG-CB 4.47Å; W235-W708 PolarHBondContact O-NE1 3.23Å; P237-W708 HydrophobicContact CB-CD2 4.06Å; P237-W708 HydrophobicContact CB-CE3 3.83Å; P237-W708 HydrophobicContact CB-CH2 3.99Å; P237-W708 HydrophobicContact CB-CZ2 4.2Å; P237-W708 HydrophobicContact CB-CZ3 3.81Å; P237-W708 HydrophobicContact CG-CD2 3.8Å; P237-W708 HydrophobicContact CG-CE3 3.88Å; P237-W708 HydrophobicContact CG-CG 4.1Å; P237-W708 HydrophobicContact CG-CZ3 4.38Å; R620-W708 HydrophobicContact CB-CH2 4.41Å; R620-W708 HydrophobicContact CG-CH2 3.95Å; R620-W708 HydrophobicContact CG-CZ3 4.22Å; H622-W708 AromaticContact CE1-CH2 3.89Å; H622-W708 AromaticContact CE1-CZ2 3.64Å; H622-W708 AromaticContact NE2-CH2 3.71Å; H622-W708 AromaticContact NE2-CZ2 3.69Å; W708-A710 HydrophobicContact CD2-CB 4.25Å; W708-A710 HydrophobicContact CG-CB 4.42Å; W708-A710 HydrophobicContact CZ2-CB 3.97Å; W708-A710 VanDerWaalsContact NE1-CB 3.3Å; W708-A710 PolarHBondContact O-N 2.77Å; W708-A710 VanDerWaalsContact O-N 3.14Å
709	Q	97.3	Very high	97.7	Very high	9 Å²	9	5.4 Å²	5.4	4%	0.042	3%	0.026	C	C	.	.	S	Bend	trans	-80.4	92.2	-178	-47.9	95.2	-40.2	0	0	111.4	Y98 T599 T602 A603 R620 Y718	Y98-Q709 VanDerWaalsContact CD2-OE1 3.26Å; T599-Q709 HydrophobicContact CG2-CB 3.95Å; T599-Q709 HydrophobicContact CG2-CG 3.63Å; T599-Q709 WeakPolarHBondContact O-CG 3.43Å; T602-Q709 PolarHBondContact OG1-NE2 2.85Å; A603-Q709 HydrophobicContact CB-CB 4.09Å; R620-Q709 WeakPolarHBondContact CD-O 3.13Å; R620-Q709 PolarHBondContact NH1-O 3.49Å; Q709-Y718 HydrophobicContact CG-CD1 3.79Å; Q709-Y718 HydrophobicContact CG-CG 4.34Å
710	A	96.9	Very high	97.6	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.008	3%	0.03	C	C	.	.	S	Bend	trans	-149.9	164.3	-179.6	0	0	0	0	0	112.1	P595 R620 W708	P595-A710 WeakPolarHBondContact CD-O 3.39Å; P595-A710 WeakPolarHBondContact CG-O 3.41Å; R620-A710 HydrophobicContact CB-CB 4.17Å; W708-A710 HydrophobicContact CD2-CB 4.25Å; W708-A710 HydrophobicContact CG-CB 4.42Å; W708-A710 HydrophobicContact CZ2-CB 3.97Å; W708-A710 VanDerWaalsContact NE1-CB 3.3Å; W708-A710 PolarHBondContact O-N 2.77Å; W708-A710 VanDerWaalsContact O-N 3.14Å
711	P	96.9	Very high	97.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.035	C	C	.	.			trans	-58.5	133.2	163.6	-21.1	34.1	0	0	0	111.1	S593 L594 M617	S593-P711 WeakPolarHBondContact O-CA 3.26Å; L594-P711 HydrophobicContact CD2-CB 4.14Å; L594-P711 HydrophobicContact CD2-CG 3.87Å; M617-P711 HydrophobicContact SD-CG 3.65Å
712	S	97.3	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	-161.7	169.4	-176.3	74.9	0	0	0	0	112.3	Q592 S593 D706 S714 K723	Q592-S712 VanDerWaalsContact CG-CA 3.45Å; Q592-S712 WeakPolarHBondContact CG-O 3.34Å; S593-S712 PolarHBondContact N-O 3.4Å; S593-S712 PolarHBondContact O-N 3.41Å; D706-S712 VanDerWaalsContact CG-OG 3.31Å; D706-S712 WeakPolarHBondContact OD1-CB 3.45Å; D706-S712 PolarHBondContact OD1-OG 3.29Å; D706-S712 PolarHBondContact OD2-OG 3.23Å; S712-S714 PolarHBondContact O-N 3.12Å; S712-S714 VanDerWaalsContact OG-CB 3.32Å; S712-S714 WeakPolarHBondContact OG-CB 3.49Å; S712-S714 PolarHBondContact OG-N 3.21Å; S712-S714 VanDerWaalsContact OG-N 3.14Å; S712-S714 PolarHBondContact OG-OG 2.61Å; S712-K723 PolarHBondContact O-NZ 2.94Å
713	W	97.4	Very high	97.4	Very high	15 Å²	15	7.3 Å²	7.3	6%	0.057	3%	0.034	C	C	.	.	S	Bend	trans	-78.7	3.9	172.3	-55.1	-110.7	0	0	0	113.2	D234 W235 Q592 H623 Q670 Y674 W702 Q703	D234-W713 HydrophobicContact CB-CH2 4.39Å; D234-W713 VanDerWaalsContact OD2-CH2 3.26Å; D234-W713 WeakPolarHBondContact OD2-CH2 3.46Å; W235-W713 HydrophobicContact CB-CE3 4.31Å; W235-W713 HydrophobicContact CB-CZ3 4Å; W235-W713 AromaticContact CD1-CE3 3.89Å; W235-W713 AromaticContact CD1-CZ3 3.62Å; W235-W713 HydrophobicContact CG-CE3 4.44Å; W235-W713 HydrophobicContact CG-CZ3 4.22Å; Q592-W713 HydrophobicContact CB-CD2 4.47Å; Q592-W713 HydrophobicContact CG-CD2 4.16Å; Q592-W713 HydrophobicContact CG-CE3 4.28Å; H623-W713 HydrophobicContact CB-CH2 3.6Å; H623-W713 HydrophobicContact CB-CZ2 4.18Å; H623-W713 AromaticContact CE1-CZ2 3.88Å; H623-W713 AromaticContact CG-CH2 3.56Å; H623-W713 AromaticContact CG-CZ2 3.72Å; H623-W713 AromaticContact ND1-CH2 3.35Å; H623-W713 WeakPolarHBondContact ND1-CH2 3.12Å; H623-W713 AromaticContact ND1-CZ2 3.47Å; H623-W713 WeakPolarHBondContact ND1-CZ2 3.3Å; Q670-W713 PolarHBondContact NE2-O 3.34Å; Y674-W713 PolarHBondContact OH-O 2.84Å; W702-W713 AromaticContact CD1-CD2 3.86Å; W702-W713 AromaticContact CD1-CG 3.65Å; W702-W713 WeakPolarHBondContact O-CB 3.4Å; Q703-W713 HydrophobicContact CG-CB 4.3Å; Q703-W713 PolarHBondContact N-O 2.91Å
714	S	98.4	Very high	97.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.035	C	C	.	.			trans	-61.1	157.7	-178.3	75.3	0	0	0	0	111.1	Q670 Q703 D706 S712 I716 K723	Q670-S714 PolarHBondContact NE2-O 2.73Å; Q703-S714 CarbonylContact O-C 3.53Å; Q703-S714 VanDerWaalsContact O-CA 3.3Å; Q703-S714 WeakPolarHBondContact O-CA 3.44Å; D706-S714 WeakPolarHBondContact OD1-CB 3.3Å; D706-S714 PolarHBondContact OD1-OG 3.32Å; D706-S714 WeakPolarHBondContact OD2-CB 3.36Å; D706-S714 PolarHBondContact OD2-OG 2.84Å; S712-S714 PolarHBondContact O-N 3.12Å; S712-S714 VanDerWaalsContact OG-CB 3.32Å; S712-S714 WeakPolarHBondContact OG-CB 3.49Å; S712-S714 PolarHBondContact OG-N 3.21Å; S712-S714 VanDerWaalsContact OG-N 3.14Å; S712-S714 PolarHBondContact OG-OG 2.61Å; S714-I716 WeakPolarHBondContact CB-O 3.44Å; S714-I716 PolarHBondContact OG-O 3.32Å; S714-K723 VanDerWaalsContact O-CD 3.32Å; S714-K723 WeakPolarHBondContact O-CD 3.4Å; S714-K723 VanDerWaalsContact O-CE 3.31Å; S714-K723 WeakPolarHBondContact O-CE 3.35Å; S714-K723 PolarHBondContact O-NZ 3.18Å; S714-K723 WeakPolarHBondContact OG-CE 3.43Å; S714-K723 PolarHBondContact OG-NZ 3.23Å
715	T	98.7	Very high	97.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-112.5	-12.3	168.6	60.7	0	0	0	0	112.3	Y674 Y701 Q703 L704 K723 A725 H726	Y674-T715 HydrophobicContact CD2-CG2 4.4Å; Y674-T715 HydrophobicContact CE2-CG2 4.03Å; Y701-T715 HydrophobicContact CD2-CG2 4.17Å; Y701-T715 HydrophobicContact CE2-CG2 3.38Å; Y701-T715 PolarHBondContact OH-OG1 3.5Å; Q703-T715 PolarHBondContact O-N 2.93Å; L704-T715 PolarHBondContact O-N 3.27Å; L704-T715 PolarHBondContact O-OG1 3.23Å; T715-K723 WeakPolarHBondContact O-CB 3.47Å; T715-K723 PolarHBondContact O-N 3.49Å; T715-A725 HydrophobicContact CG2-CB 3.74Å; T715-H726 PolarHBondContact OG1-ND1 3.43Å
716	I	98.5	Very high	97.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.034	C	C	.	.	B	Isolated β-bridge	trans	-121.8	124.9	165.8	-54	174.9	0	0	0	107.3	F410 L411 S414 L704 N705 S714 K721	F410-I716 HydrophobicContact CE1-CG2 4.46Å; L411-I716 HydrophobicContact CD2-CB 4.15Å; L411-I716 HydrophobicContact CD2-CD1 3.77Å; L411-I716 HydrophobicContact CD2-CG2 3.88Å; S414-I716 VanDerWaalsContact CB-CD1 3.46Å; L704-I716 HydrophobicContact CD1-CD1 4.34Å; L704-I716 PolarHBondContact O-N 2.96Å; N705-I716 WeakPolarHBondContact CA-O 3.45Å; S714-I716 WeakPolarHBondContact CB-O 3.44Å; S714-I716 PolarHBondContact OG-O 3.32Å; I716-K721 WeakPolarHBondContact CA-O 3.25Å
717	D	96.8	Very high	97.4	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.011	4%	0.035	C	C	.	.			trans	-78.2	172.5	-178.7	87.6	1.6	0	0	0	113.5	P595 F596 T599 D706 N719 L720 K721	P595-D717 HydrophobicContact CB-CB 4.18Å; F596-D717 WeakPolarHBondContact CD2-OD2 3.42Å; F596-D717 PolarHBondContact N-OD2 3.31Å; T599-D717 WeakPolarHBondContact CB-OD2 3.47Å; T599-D717 WeakPolarHBondContact CG2-OD2 3.35Å; T599-D717 PolarHBondContact OG1-OD2 3.43Å; D706-D717 WeakPolarHBondContact OD2-CA 3.49Å; D717-N719 PolarHBondContact O-N 3.14Å; D717-N719 VanDerWaalsContact O-N 3.17Å; D717-N719 WeakPolarHBondContact OD1-CA 3.09Å; D717-N719 PolarHBondContact OD1-N 3.23Å; D717-L720 WeakPolarHBondContact O-CA 3.19Å; D717-L720 PolarHBondContact O-N 3.49Å; D717-L720 PolarHBondContact OD1-N 3.22Å; D717-K721 PolarHBondContact N-O 3.06Å; D717-K721 PolarHBondContact OD1-N 3.5Å
718	Y	97.3	Very high	97.5	Very high	24 Å²	24	7.8 Å²	7.8	9%	0.094	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.9	-176.7	178.2	-98.8	0	0	0	114.3	Y98 D397 R402 R407 V707 Q709 L720	Y98-Y718 HydrophobicContact CD2-CE1 4.23Å; Y98-Y718 HydrophobicContact CE2-CD2 4.47Å; Y98-Y718 HydrophobicContact CE2-CE1 4.24Å; Y98-Y718 AromaticContact CE2-CE2 3.83Å; Y98-Y718 HydrophobicContact CE2-CE2 3.83Å; Y98-Y718 AromaticContact CE2-CZ 3.7Å; D397-Y718 PolarHBondContact OD2-OH 3.35Å; R402-Y718 PolarHBondContact NH2-OH 3.5Å; R402-Y718 VanDerWaalsContact NH2-OH 3.09Å; R407-Y718 PolarHBondContact NH1-O 3.37Å; R407-Y718 PolarHBondContact NH2-O 3.26Å; V707-Y718 VanDerWaalsContact C-CD2 3.46Å; V707-Y718 VanDerWaalsContact O-CD2 3.27Å; V707-Y718 WeakPolarHBondContact O-CD2 3.31Å; V707-Y718 WeakPolarHBondContact O-CE2 3.46Å; Q709-Y718 HydrophobicContact CG-CD1 3.79Å; Q709-Y718 HydrophobicContact CG-CG 4.34Å; Y718-L720 PolarHBondContact O-N 3.13Å
719	N	94.3	Very high	97.5	Very high	46 Å²	46	7.7 Å²	7.7	25%	0.246	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	9.6	175.7	-78.6	1.1	0	0	0	112.7	T599 D717 K721	T599-N719 WeakPolarHBondContact CA-ND2 3.35Å; T599-N719 HydrophobicContact CG2-CB 4.2Å; T599-N719 WeakPolarHBondContact OG1-CB 3.47Å; T599-N719 PolarHBondContact OG1-ND2 3.22Å; D717-N719 PolarHBondContact O-N 3.14Å; D717-N719 VanDerWaalsContact O-N 3.17Å; D717-N719 WeakPolarHBondContact OD1-CA 3.09Å; D717-N719 PolarHBondContact OD1-N 3.23Å; N719-K721 VanDerWaalsContact C-N 3.32Å
720	L	96.6	Very high	97.5	Very high	16 Å²	16	9.7 Å²	9.7	8%	0.084	5%	0.045	C	C	.	.	S	Bend	trans	69.2	18.2	-176.8	-52	-179.3	0	0	0	114.9	R407 F410 L411 D717 Y718 T878	R407-L720 HydrophobicContact CG-CD1 4.18Å; F410-L720 HydrophobicContact CB-CD1 4.09Å; F410-L720 HydrophobicContact CD1-CB 3.84Å; F410-L720 HydrophobicContact CD1-CD1 3.89Å; F410-L720 HydrophobicContact CD1-CD2 4.12Å; F410-L720 HydrophobicContact CD1-CG 4.18Å; F410-L720 HydrophobicContact CE1-CB 3.7Å; F410-L720 VanDerWaalsContact CE1-O 3.29Å; F410-L720 WeakPolarHBondContact CE1-O 3.28Å; F410-L720 HydrophobicContact CG-CD1 3.95Å; F410-L720 HydrophobicContact CZ-CB 4.28Å; F410-L720 WeakPolarHBondContact CZ-O 3.14Å; L411-L720 HydrophobicContact CD2-CD2 3.93Å; L411-L720 HydrophobicContact CG-CD2 4.09Å; D717-L720 WeakPolarHBondContact O-CA 3.19Å; D717-L720 PolarHBondContact O-N 3.49Å; D717-L720 PolarHBondContact OD1-N 3.22Å; Y718-L720 PolarHBondContact O-N 3.13Å; L720-T878 HydrophobicContact CB-CG2 4.29Å; L720-T878 HydrophobicContact CD1-CG2 4.38Å
721	K	95.1	Very high	97.5	Very high	26 Å²	26	12.6 Å²	12.6	11%	0.113	6%	0.056	C	C	.	.	P	Polyproline II helix	trans	-79.1	125.6	174	-58.8	-167.5	79.6	-159.6	0	109.8	F596 E598 I716 D717 N719 K723 D873	F596-K721 HydrophobicContact CB-CD 4.12Å; F596-K721 HydrophobicContact CD2-CB 3.58Å; F596-K721 HydrophobicContact CD2-CD 3.98Å; F596-K721 HydrophobicContact CD2-CG 4.39Å; F596-K721 HydrophobicContact CE2-CB 3.77Å; F596-K721 HydrophobicContact CG-CD 4.09Å; E598-K721 IonicContact OE2-NZ 3.84Å; E598-K721 PolarHBondContact OE2-NZ 3.16Å; I716-K721 WeakPolarHBondContact CA-O 3.25Å; D717-K721 PolarHBondContact N-O 3.06Å; D717-K721 PolarHBondContact OD1-N 3.5Å; N719-K721 VanDerWaalsContact C-N 3.32Å; K721-K723 PolarHBondContact O-N 3.03Å; K721-D873 WeakPolarHBondContact CE-OD1 3.44Å; K721-D873 IonicContact NZ-OD1 2.7Å; K721-D873 PolarHBondContact NZ-OD1 3.42Å; K721-D873 IonicContact NZ-OD2 3.53Å; K721-D873 PolarHBondContact NZ-OD2 3.45Å
722	W	97.8	Very high	97.5	Very high	5 Å²	5	12.7 Å²	12.7	2%	0.019	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-64.8	124.4	170.4	-72.5	23	0	0	0	109.7	F410 S414 Q417 F596 H726 Y727 W871 Y880	F410-W722 AromaticContact CE1-NE1 3.89Å; F410-W722 AromaticContact CZ-NE1 3.9Å; S414-W722 PolarHBondContact OG-NE1 3.45Å; Q417-W722 HydrophobicContact CB-CH2 3.81Å; Q417-W722 HydrophobicContact CB-CZ2 4.18Å; F596-W722 WeakPolarHBondContact CE2-O 3.25Å; F596-W722 WeakPolarHBondContact CZ-O 3.45Å; W722-H726 HydrophobicContact CB-CB 4.16Å; W722-H726 HydrophobicContact CD2-CB 4.2Å; W722-H726 AromaticContact CD2-CD2 3.51Å; W722-H726 AromaticContact CE2-CD2 3.61Å; W722-H726 HydrophobicContact CE3-CB 4.13Å; W722-H726 AromaticContact CE3-CD2 3.65Å; W722-H726 HydrophobicContact CG-CB 4.23Å; W722-H726 AromaticContact CZ2-CD2 3.9Å; W722-H726 AromaticContact CZ3-CD2 3.92Å; W722-Y727 HydrophobicContact CB-CD2 4.26Å; W722-Y727 HydrophobicContact CB-CE2 3.52Å; W722-Y727 HydrophobicContact CD2-CE2 4.47Å; W722-Y727 AromaticContact CE3-CD1 3.72Å; W722-Y727 HydrophobicContact CE3-CD1 3.72Å; W722-Y727 HydrophobicContact CE3-CD2 4.09Å; W722-Y727 AromaticContact CE3-CE1 3.52Å; W722-Y727 HydrophobicContact CE3-CE1 3.52Å; W722-Y727 AromaticContact CE3-CE2 3.91Å; W722-Y727 HydrophobicContact CE3-CE2 3.91Å; W722-Y727 HydrophobicContact CE3-CG 4.02Å; W722-Y727 AromaticContact CE3-CZ 3.63Å; W722-Y727 HydrophobicContact CG-CE2 4.41Å; W722-Y727 AromaticContact CZ3-CD1 3.92Å; W722-Y727 HydrophobicContact CZ3-CD1 3.92Å; W722-Y727 AromaticContact CZ3-CE1 3.9Å; W722-Y727 HydrophobicContact CZ3-CE1 3.9Å; W722-Y727 HydrophobicContact CZ3-CG 4.49Å; W722-W871 WeakPolarHBondContact O-CH2 3.48Å; W722-Y880 HydrophobicContact CD2-CG 4.16Å; W722-Y880 AromaticContact CE2-CD1 3.75Å; W722-Y880 AromaticContact CE2-CG 3.65Å; W722-Y880 HydrophobicContact CE3-CG 4.47Å; W722-Y880 HydrophobicContact CH2-CD1 4.43Å; W722-Y880 AromaticContact CH2-CD2 3.71Å; W722-Y880 HydrophobicContact CH2-CD2 3.71Å; W722-Y880 HydrophobicContact CH2-CE2 4.26Å; W722-Y880 AromaticContact CH2-CG 3.84Å; W722-Y880 HydrophobicContact CH2-CG 3.84Å; W722-Y880 AromaticContact CZ2-CD1 3.64Å; W722-Y880 HydrophobicContact CZ2-CD1 3.64Å; W722-Y880 AromaticContact CZ2-CD2 3.76Å; W722-Y880 HydrophobicContact CZ2-CD2 3.76Å; W722-Y880 HydrophobicContact CZ2-CE1 4.12Å; W722-Y880 HydrophobicContact CZ2-CE2 4.24Å; W722-Y880 AromaticContact CZ2-CG 3.46Å; W722-Y880 HydrophobicContact CZ2-CG 3.46Å; W722-Y880 VanDerWaalsContact CZ2-CG 3.46Å; W722-Y880 HydrophobicContact CZ3-CD2 4.28Å; W722-Y880 HydrophobicContact CZ3-CG 4.33Å; W722-Y880 AromaticContact NE1-CD1 3.85Å
723	K	98	Very high	97.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.056	C	C	.	.	P	Polyproline II helix	trans	-74	163.8	167.3	-56.1	-168.1	-167.3	163.9	0	110.2	S593 F596 Q667 S712 S714 T715 K721 A725 H726 Y727	S593-K723 WeakPolarHBondContact OG-CD 3.4Å; S593-K723 WeakPolarHBondContact OG-CE 3.41Å; S593-K723 PolarHBondContact OG-NZ 3.05Å; F596-K723 HydrophobicContact CE2-CG 4.18Å; Q667-K723 HydrophobicContact CG-CB 4.18Å; Q667-K723 HydrophobicContact CG-CD 4.09Å; Q667-K723 HydrophobicContact CG-CG 4.4Å; Q667-K723 VanDerWaalsContact OE1-CA 3.26Å; S712-K723 PolarHBondContact O-NZ 2.94Å; S714-K723 VanDerWaalsContact O-CD 3.32Å; S714-K723 WeakPolarHBondContact O-CD 3.4Å; S714-K723 VanDerWaalsContact O-CE 3.31Å; S714-K723 WeakPolarHBondContact O-CE 3.35Å; S714-K723 PolarHBondContact O-NZ 3.18Å; S714-K723 WeakPolarHBondContact OG-CE 3.43Å; S714-K723 PolarHBondContact OG-NZ 3.23Å; T715-K723 WeakPolarHBondContact O-CB 3.47Å; T715-K723 PolarHBondContact O-N 3.49Å; K721-K723 PolarHBondContact O-N 3.03Å; K723-A725 PolarHBondContact O-N 3.15Å; K723-H726 PolarHBondContact O-N 2.83Å; K723-Y727 WeakPolarHBondContact O-CD2 3.5Å
724	I	98.1	Very high	97.5	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-50.4	-38.7	178.5	-55.3	173.6	0	0	0	111.6	F664 Q667 L668 A671 H726 Y727 Y728 W871	F664-I724 HydrophobicContact CD2-CD1 4Å; F664-I724 HydrophobicContact CE2-CD1 4.26Å; Q667-I724 HydrophobicContact CB-CB 4.16Å; Q667-I724 HydrophobicContact CB-CD1 3.86Å; Q667-I724 HydrophobicContact CB-CG1 3.95Å; L668-I724 HydrophobicContact CB-CD1 4.01Å; L668-I724 HydrophobicContact CD1-CG2 4.3Å; A671-I724 HydrophobicContact CB-CB 4.15Å; A671-I724 HydrophobicContact CB-CG2 3.71Å; I724-H726 VanDerWaalsContact C-N 3.28Å; I724-H726 PolarHBondContact O-N 3.36Å; I724-Y727 PolarHBondContact O-N 3.11Å; I724-Y728 HydrophobicContact CG2-CD2 3.9Å; I724-Y728 HydrophobicContact CG2-CE2 3.76Å; I724-Y728 WeakPolarHBondContact O-CD2 3.22Å; I724-Y728 PolarHBondContact O-N 2.88Å; I724-W871 HydrophobicContact CB-CZ3 4.33Å; I724-W871 HydrophobicContact CD1-CE3 4.39Å; I724-W871 HydrophobicContact CG1-CD2 4.23Å; I724-W871 HydrophobicContact CG1-CE3 3.63Å; I724-W871 HydrophobicContact CG1-CH2 4.3Å; I724-W871 HydrophobicContact CG1-CZ3 3.65Å
725	A	98.2	Very high	97.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.8	-26.4	179.6	0	0	0	0	0	115.1	Q670 A671 T715 K723 Y728 A729	Q670-A725 HydrophobicContact CG-CB 4.15Å; A671-A725 HydrophobicContact CB-CB 4.08Å; T715-A725 HydrophobicContact CG2-CB 3.74Å; K723-A725 PolarHBondContact O-N 3.15Å; A725-Y728 PolarHBondContact O-N 2.85Å; A725-A729 PolarHBondContact O-N 3.34Å
726	H	98.6	Very high	97.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-74.6	-37.4	178.8	-147.9	79.7	0	0	0	112.2	S414 A418 Y701 T715 W722 K723 I724 Y728 A729 Q730	S414-H726 PolarHBondContact O-NE2 3.08Å; A418-H726 WeakPolarHBondContact CB-NE2 3.38Å; Y701-H726 PolarHBondContact OH-ND1 3.31Å; T715-H726 PolarHBondContact OG1-ND1 3.43Å; W722-H726 HydrophobicContact CB-CB 4.16Å; W722-H726 HydrophobicContact CD2-CB 4.2Å; W722-H726 AromaticContact CD2-CD2 3.51Å; W722-H726 AromaticContact CE2-CD2 3.61Å; W722-H726 HydrophobicContact CE3-CB 4.13Å; W722-H726 AromaticContact CE3-CD2 3.65Å; W722-H726 HydrophobicContact CG-CB 4.23Å; W722-H726 AromaticContact CZ2-CD2 3.9Å; W722-H726 AromaticContact CZ3-CD2 3.92Å; K723-H726 PolarHBondContact O-N 2.83Å; I724-H726 VanDerWaalsContact C-N 3.28Å; I724-H726 PolarHBondContact O-N 3.36Å; H726-Y728 VanDerWaalsContact C-N 3.3Å; H726-Y728 PolarHBondContact O-N 2.86Å; H726-A729 WeakPolarHBondContact O-CB 3.05Å; H726-A729 PolarHBondContact O-N 2.92Å; H726-Q730 PolarHBondContact O-N 3.49Å
727	Y	98.4	Very high	97.1	Very high	7 Å²	7	15.5 Å²	15.5	3%	0.027	8%	0.077	C	C	.	.	H	α-helix	trans	-65.9	-34.6	171	-61.8	-85.3	0	0	0	111.6	W722 K723 I724 A729 Q730 W871 F881 N884	W722-Y727 HydrophobicContact CB-CD2 4.26Å; W722-Y727 HydrophobicContact CB-CE2 3.52Å; W722-Y727 HydrophobicContact CD2-CE2 4.47Å; W722-Y727 AromaticContact CE3-CD1 3.72Å; W722-Y727 HydrophobicContact CE3-CD1 3.72Å; W722-Y727 HydrophobicContact CE3-CD2 4.09Å; W722-Y727 AromaticContact CE3-CE1 3.52Å; W722-Y727 HydrophobicContact CE3-CE1 3.52Å; W722-Y727 AromaticContact CE3-CE2 3.91Å; W722-Y727 HydrophobicContact CE3-CE2 3.91Å; W722-Y727 HydrophobicContact CE3-CG 4.02Å; W722-Y727 AromaticContact CE3-CZ 3.63Å; W722-Y727 HydrophobicContact CG-CE2 4.41Å; W722-Y727 AromaticContact CZ3-CD1 3.92Å; W722-Y727 HydrophobicContact CZ3-CD1 3.92Å; W722-Y727 AromaticContact CZ3-CE1 3.9Å; W722-Y727 HydrophobicContact CZ3-CE1 3.9Å; W722-Y727 HydrophobicContact CZ3-CG 4.49Å; K723-Y727 WeakPolarHBondContact O-CD2 3.5Å; I724-Y727 PolarHBondContact O-N 3.11Å; Y727-A729 VanDerWaalsContact C-N 3.34Å; Y727-Q730 WeakPolarHBondContact O-CB 3.38Å; Y727-Q730 PolarHBondContact O-N 2.84Å; Y727-W871 HydrophobicContact CD2-CH2 4.27Å; Y727-W871 AromaticContact CD2-CZ3 3.84Å; Y727-W871 HydrophobicContact CD2-CZ3 3.84Å; Y727-W871 AromaticContact CE2-CH2 3.7Å; Y727-W871 HydrophobicContact CE2-CH2 3.7Å; Y727-W871 AromaticContact CE2-CZ3 3.66Å; Y727-W871 HydrophobicContact CE2-CZ3 3.66Å; Y727-F881 HydrophobicContact CE1-CB 4.04Å; Y727-F881 WeakPolarHBondContact CE1-O 3.47Å; Y727-F881 PolarHBondContact OH-N 2.03Å; Y727-N884 WeakPolarHBondContact CB-O 3.43Å; Y727-N884 HydrophobicContact CD1-CB 3.41Å; Y727-N884 VanDerWaalsContact CD1-CB 3.41Å; Y727-N884 HydrophobicContact CD2-CB 3.77Å; Y727-N884 HydrophobicContact CE1-CB 3.43Å; Y727-N884 VanDerWaalsContact CE1-CB 3.43Å; Y727-N884 HydrophobicContact CE2-CB 3.8Å; Y727-N884 HydrophobicContact CG-CB 3.56Å
728	Y	98.2	Very high	97.1	Very high	9 Å²	9	15.4 Å²	15.4	4%	0.035	8%	0.077	C	C	.	.	H	α-helix	trans	-68.6	-35	172.5	-83.2	-118.4	0	0	0	111.6	A671 I672 K675 I724 A725 H726 Q730 R731 F732 F869 G885	A671-Y728 HydrophobicContact CB-CD1 4.13Å; A671-Y728 HydrophobicContact CB-CD2 3.89Å; A671-Y728 HydrophobicContact CB-CE2 4.36Å; A671-Y728 HydrophobicContact CB-CG 3.78Å; I672-Y728 HydrophobicContact CG1-CE1 4.11Å; K675-Y728 HydrophobicContact CB-CD1 4.16Å; K675-Y728 HydrophobicContact CD-CD1 4.05Å; K675-Y728 HydrophobicContact CD-CE1 4.12Å; I724-Y728 HydrophobicContact CG2-CD2 3.9Å; I724-Y728 HydrophobicContact CG2-CE2 3.76Å; I724-Y728 WeakPolarHBondContact O-CD2 3.22Å; I724-Y728 PolarHBondContact O-N 2.88Å; A725-Y728 PolarHBondContact O-N 2.85Å; H726-Y728 VanDerWaalsContact C-N 3.3Å; H726-Y728 PolarHBondContact O-N 2.86Å; Y728-Q730 PolarHBondContact O-N 3.43Å; Y728-R731 PolarHBondContact O-N 3.09Å; Y728-R731 VanDerWaalsContact O-N 3.07Å; Y728-F732 VanDerWaalsContact C-CD1 3.41Å; Y728-F732 WeakPolarHBondContact O-CD1 3.31Å; Y728-F732 WeakPolarHBondContact O-CG 3.5Å; Y728-F732 PolarHBondContact O-N 2.73Å; Y728-F869 WeakPolarHBondContact OH-CD1 3.16Å; Y728-F869 WeakPolarHBondContact OH-CE1 3.21Å; Y728-G885 VanDerWaalsContact CE2-O 3.23Å; Y728-G885 WeakPolarHBondContact CE2-O 3.33Å; Y728-G885 PolarHBondContact OH-O 2.82Å
729	A	98.4	Very high	97	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.4	-41.7	174.9	0	0	0	0	0	112.9	A418 Y701 A725 H726 Y727 R731 F732 F733	A418-A729 HydrophobicContact CB-CB 4.26Å; Y701-A729 HydrophobicContact CE1-CB 4.18Å; A725-A729 PolarHBondContact O-N 3.34Å; H726-A729 WeakPolarHBondContact O-CB 3.05Å; H726-A729 PolarHBondContact O-N 2.92Å; Y727-A729 VanDerWaalsContact C-N 3.34Å; A729-R731 PolarHBondContact O-N 2.93Å; A729-F732 VanDerWaalsContact CA-CZ 3.42Å; A729-F732 HydrophobicContact CB-CD2 4.47Å; A729-F732 HydrophobicContact CB-CE1 4.21Å; A729-F732 HydrophobicContact CB-CE2 3.76Å; A729-F732 HydrophobicContact CB-CZ 3.61Å; A729-F732 PolarHBondContact O-N 2.81Å; A729-F733 HydrophobicContact CB-CD2 4.19Å; A729-F733 HydrophobicContact CB-CE2 4.41Å; A729-F733 VanDerWaalsContact O-CB 3.29Å; A729-F733 WeakPolarHBondContact O-CB 3.4Å; A729-F733 PolarHBondContact O-N 3.14Å
730	Q	97.2	Very high	96.9	Very high	50 Å²	50	12.4 Å²	12.4	23%	0.234	6%	0.063	C	C	.	.	H	α-helix	trans	-51.3	-40.3	171.1	-176.9	-176.1	-1.1	0	0	112.4	N419 H726 Y727 Y728 S882	N419-Q730 PolarHBondContact ND2-O 3.11Å; H726-Q730 PolarHBondContact O-N 3.49Å; Y727-Q730 WeakPolarHBondContact O-CB 3.38Å; Y727-Q730 PolarHBondContact O-N 2.84Å; Y728-Q730 PolarHBondContact O-N 3.43Å; Q730-S882 PolarHBondContact NE2-O 3.04Å; Q730-S882 PolarHBondContact OE1-O 3.04Å
731	R	96.5	Very high	96.6	Very high	63 Å²	63	12.4 Å²	12.4	24%	0.238	6%	0.062	C	C	.	.	H	α-helix	trans	-76.8	-54.5	176.9	-52.8	-170.4	-157.9	121	10.4	112.4	Y728 A729 F733 A734 D883 N884	Y728-R731 PolarHBondContact O-N 3.09Å; Y728-R731 VanDerWaalsContact O-N 3.07Å; A729-R731 PolarHBondContact O-N 2.93Å; R731-F733 VanDerWaalsContact C-N 3.27Å; R731-F733 PolarHBondContact O-N 2.86Å; R731-A734 WeakPolarHBondContact O-CB 3.14Å; R731-A734 PolarHBondContact O-N 3.12Å; R731-D883 IonicContact CZ-OD1 2.7Å; R731-D883 IonicContact CZ-OD2 3.71Å; R731-D883 IonicContact NE-OD1 2.82Å; R731-D883 PolarHBondContact NE-OD1 3.27Å; R731-D883 IonicContact NE-OD2 3.52Å; R731-D883 PolarHBondContact NE-OD2 2.72Å; R731-D883 VanDerWaalsContact NH2-CG 3.32Å; R731-D883 IonicContact NH2-OD1 2.73Å; R731-D883 PolarHBondContact NH2-OD1 2.83Å; R731-D883 IonicContact NH2-OD2 3.55Å; R731-D883 PolarHBondContact NH2-OD2 2.9Å; R731-N884 PolarHBondContact NH2-O 2.87Å
732	F	97.2	Very high	96.2	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-72.9	-16.4	-174.4	63.3	-123.3	0	0	0	114.2	K675 V678 R682 Y701 Y728 A729 L737	K675-F732 HydrophobicContact CB-CD1 4.08Å; V678-F732 HydrophobicContact CB-CB 4.48Å; V678-F732 HydrophobicContact CB-CD2 3.76Å; V678-F732 HydrophobicContact CB-CE2 4.07Å; V678-F732 HydrophobicContact CB-CG 4.15Å; V678-F732 HydrophobicContact CG1-CB 4.32Å; V678-F732 HydrophobicContact CG1-CD2 3.55Å; V678-F732 HydrophobicContact CG1-CE2 4.12Å; V678-F732 HydrophobicContact CG1-CG 4.19Å; V678-F732 HydrophobicContact CG2-CD2 3.97Å; V678-F732 HydrophobicContact CG2-CE2 3.74Å; V678-F732 HydrophobicContact CG2-CZ 4.26Å; R682-F732 WeakPolarHBondContact CD-O 3.11Å; R682-F732 PolarHBondContact NH1-O 3.49Å; Y701-F732 HydrophobicContact CE1-CE2 4.47Å; Y701-F732 HydrophobicContact CE1-CZ 4.32Å; Y728-F732 VanDerWaalsContact C-CD1 3.41Å; Y728-F732 WeakPolarHBondContact O-CD1 3.31Å; Y728-F732 WeakPolarHBondContact O-CG 3.5Å; Y728-F732 PolarHBondContact O-N 2.73Å; A729-F732 VanDerWaalsContact CA-CZ 3.42Å; A729-F732 HydrophobicContact CB-CD2 4.47Å; A729-F732 HydrophobicContact CB-CE1 4.21Å; A729-F732 HydrophobicContact CB-CE2 3.76Å; A729-F732 HydrophobicContact CB-CZ 3.61Å; A729-F732 PolarHBondContact O-N 2.81Å; F732-L737 WeakPolarHBondContact O-CD2 3.33Å
733	F	98.2	Very high	95.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	8.7	167.9	-66.5	-34.7	0	0	0	114	K389 G390 N419 M420 V678 T699 Y701 A729 R731	K389-F733 HydrophobicContact CB-CB 4.38Å; K389-F733 HydrophobicContact CB-CD1 3.64Å; K389-F733 HydrophobicContact CB-CD2 4.28Å; K389-F733 HydrophobicContact CB-CE1 3.85Å; K389-F733 HydrophobicContact CB-CE2 4.46Å; K389-F733 HydrophobicContact CB-CG 3.88Å; K389-F733 HydrophobicContact CB-CZ 4.26Å; K389-F733 HydrophobicContact CD-CB 3.98Å; K389-F733 HydrophobicContact CD-CD1 3.93Å; K389-F733 HydrophobicContact CD-CG 4.21Å; K389-F733 HydrophobicContact CG-CD1 3.81Å; K389-F733 HydrophobicContact CG-CE1 4.21Å; K389-F733 HydrophobicContact CG-CG 4.35Å; K389-F733 PolarHBondContact NZ-O 2.9Å; G390-F733 VanDerWaalsContact N-CZ 3.3Å; N419-F733 HydrophobicContact CB-CB 3.89Å; N419-F733 VanDerWaalsContact CB-O 3.26Å; N419-F733 WeakPolarHBondContact CB-O 3.39Å; M420-F733 HydrophobicContact CG-CD2 4.04Å; M420-F733 HydrophobicContact CG-CE2 4.15Å; V678-F733 HydrophobicContact CG1-CD1 3.91Å; V678-F733 HydrophobicContact CG1-CE1 3.61Å; V678-F733 HydrophobicContact CG2-CE1 4.3Å; T699-F733 WeakPolarHBondContact OG1-CE1 3.45Å; Y701-F733 HydrophobicContact CD1-CE2 4.3Å; Y701-F733 HydrophobicContact CD1-CZ 4.27Å; Y701-F733 AromaticContact CE1-CE2 3.92Å; Y701-F733 HydrophobicContact CE1-CE2 3.92Å; Y701-F733 HydrophobicContact CE1-CZ 4.34Å; A729-F733 HydrophobicContact CB-CD2 4.19Å; A729-F733 HydrophobicContact CB-CE2 4.41Å; A729-F733 VanDerWaalsContact O-CB 3.29Å; A729-F733 WeakPolarHBondContact O-CB 3.4Å; A729-F733 PolarHBondContact O-N 3.14Å; R731-F733 VanDerWaalsContact C-N 3.27Å; R731-F733 PolarHBondContact O-N 2.86Å
734	A	97	Very high	94.4	Very high	19 Å²	19	22.2 Å²	22.2	16%	0.157	12%	0.12	C	C	.	.			trans	-52.7	140.2	177.5	0	0	0	0	0	112.4	R682 R731 L736	R682-A734 PolarHBondContact NH1-O 2.84Å; R682-A734 PolarHBondContact NH2-O 3.32Å; R731-A734 WeakPolarHBondContact O-CB 3.14Å; R731-A734 PolarHBondContact O-N 3.12Å; A734-L736 WeakPolarHBondContact CB-O 3.2Å; A734-L736 PolarHBondContact O-N 2.79Å
735	P	95.9	Very high	93.3	Very high	43 Å²	43	26.7 Å²	26.7	28%	0.279	14%	0.144	S	C	.	.	S	Bend	trans	-60.9	-27.6	-179.5	-25	34.7	0	0	0	114.1	S754 D755 L756	P735-S754 CarbonylContact O-C 3.33Å; P735-S754 WeakPolarHBondContact O-CA 3.38Å; P735-D755 PolarHBondContact O-N 2.91Å; P735-L756 HydrophobicContact CB-CD2 3.89Å; P735-L756 HydrophobicContact CB-CG 4.46Å
736	L	95.4	Very high	92.1	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.8	164.9	-174.7	68.4	0	0	0	107.5	A734 I753 L756 V760 V788 L816 N821 A823	A734-L736 WeakPolarHBondContact CB-O 3.2Å; A734-L736 PolarHBondContact O-N 2.79Å; L736-I753 WeakPolarHBondContact CA-O 3.4Å; L736-L756 HydrophobicContact CB-CD1 4.49Å; L736-V760 HydrophobicContact CD1-CG2 4.43Å; L736-V760 HydrophobicContact CD2-CG2 4.3Å; L736-V788 HydrophobicContact CD1-CG1 4.21Å; L736-L816 HydrophobicContact CD2-CD2 3.82Å; L736-N821 HydrophobicContact CD2-CB 4.1Å; L736-A823 HydrophobicContact CB-CB 4.37Å; L736-A823 HydrophobicContact CD2-CB 4.08Å; L736-A823 HydrophobicContact CG-CB 3.95Å
737	L	96	Very high	91.4	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	136.7	-175.2	173.1	64.9	0	0	0	110.4	E679 R682 F732 I753	E679-L737 HydrophobicContact CG-CD2 4.21Å; R682-L737 VanDerWaalsContact NH1-CD2 3.34Å; F732-L737 WeakPolarHBondContact O-CD2 3.33Å; L737-I753 HydrophobicContact CB-CB 4.31Å; L737-I753 HydrophobicContact CD2-CD1 4.12Å; L737-I753 HydrophobicContact CG-CD1 4.37Å; L737-I753 PolarHBondContact N-O 2.81Å; L737-I753 PolarHBondContact O-N 3.46Å
738	L	96	Very high	90.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143.6	164.4	-65.4	173.2	0	0	0	109.5	I750 Y751 A752 L765 L814 L816 A823 N825	L738-I750 HydrophobicContact CD2-CG2 4.43Å; L738-Y751 CarbonylContact C-O 3.56Å; L738-Y751 WeakPolarHBondContact CA-O 3.47Å; L738-A752 HydrophobicContact CD2-CB 4.36Å; L738-L765 HydrophobicContact CD1-CD1 3.87Å; L738-L765 HydrophobicContact CD2-CD1 4.05Å; L738-L814 HydrophobicContact CB-CB 4.23Å; L738-L814 HydrophobicContact CB-CD1 4.14Å; L738-L814 HydrophobicContact CD1-CB 3.63Å; L738-L816 HydrophobicContact CD1-CB 3.69Å; L738-L816 HydrophobicContact CD2-CB 4Å; L738-L816 HydrophobicContact CD2-CD1 3.79Å; L738-L816 HydrophobicContact CG-CB 4.08Å; L738-A823 HydrophobicContact CG-CB 4.31Å; L738-N825 HydrophobicContact CB-CB 4.24Å; L738-N825 WeakPolarHBondContact O-CB 3.41Å; L738-N825 PolarHBondContact O-ND2 3.13Å
739	S	95.3	Very high	90.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.3	172.9	-176.6	0	0	0	0	111	E679 R683 Y751	E679-S739 WeakPolarHBondContact CB-OG 3.48Å; E679-S739 VanDerWaalsContact OE2-CB 3.27Å; E679-S739 WeakPolarHBondContact OE2-CB 3.48Å; E679-S739 PolarHBondContact OE2-OG 3.43Å; R683-S739 PolarHBondContact NH1-OG 3.43Å; S739-Y751 PolarHBondContact N-O 2.85Å; S739-Y751 PolarHBondContact O-N 2.83Å
740	A	92.4	Very high	90.4	Very high	6 Å²	6	30.8 Å²	30.8	5%	0.05	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.3	174.8	0	0	0	0	0	110.7	D749 I750 L812 L814 H827	A740-D749 WeakPolarHBondContact CA-O 3.44Å; A740-I750 HydrophobicContact CB-CD1 3.76Å; A740-L812 HydrophobicContact CB-CD2 3.87Å; A740-L814 HydrophobicContact CB-CD1 4.28Å; A740-H827 HydrophobicContact CB-CB 4.15Å
741	E	90.6	Very high	90.3	Very high	16 Å²	16	28.8 Å²	28.8	8%	0.075	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	100.4	167.6	-164.1	158.7	-103.4	0	0	107.5	R683 R687 Y743 C748 D749 Y751	R683-E741 IonicContact CZ-OE1 3.36Å; R683-E741 VanDerWaalsContact NE-CD 3.34Å; R683-E741 IonicContact NE-OE1 3.14Å; R683-E741 PolarHBondContact NE-OE1 2.81Å; R683-E741 IonicContact NE-OE2 3.08Å; R683-E741 IonicContact NH2-OE1 2.72Å; R683-E741 PolarHBondContact NH2-OE1 2.92Å; R687-E741 IonicContact CZ-OE2 3.75Å; R687-E741 IonicContact NH1-OE2 3.93Å; R687-E741 IonicContact NH2-OE1 3.19Å; R687-E741 PolarHBondContact NH2-OE1 3.07Å; R687-E741 IonicContact NH2-OE2 3.62Å; R687-E741 PolarHBondContact NH2-OE2 2.79Å; E741-Y743 HydrophobicContact CG-CE1 3.82Å; E741-Y743 WeakPolarHBondContact O-CE2 3.41Å; E741-Y743 PolarHBondContact OE2-OH 2.59Å; E741-C748 WeakPolarHBondContact O-CA 3.42Å; E741-D749 PolarHBondContact N-O 3.28Å; E741-D749 PolarHBondContact O-N 3.28Å; E741-Y751 HydrophobicContact CB-CD2 4.26Å; E741-Y751 HydrophobicContact CB-CE2 3.74Å
742	C	86.1	Confident	90.3	Very high	35 Å²	35	25.9 Å²	25.9	24%	0.236	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.9	-176.9	-68	0	0	0	0	110.4	C748	C742-C748 HydrophobicContact CB-CB 4.08Å; C742-C748 WeakPolarHBondContact CB-SG 3.46Å; C742-C748 WeakPolarHBondContact SG-CB 3.47Å; C742-C748 CovalentContact SG-SG 2.04Å; C742-C748 PolarHBondContact SG-SG 3.04Å
743	Y	82	Confident	90.3	Very high	82 Å²	82	25.8 Å²	25.8	32%	0.322	15%	0.145	S	C	.	.			trans	-107.4	160.3	-171.6	-48.9	-81.9	0	0	0	111.9	E741 N745 H746 S747 D749	E741-Y743 HydrophobicContact CG-CE1 3.82Å; E741-Y743 WeakPolarHBondContact O-CE2 3.41Å; E741-Y743 PolarHBondContact OE2-OH 2.59Å; Y743-N745 WeakPolarHBondContact CB-OD1 3.44Å; Y743-N745 PolarHBondContact O-N 2.97Å; Y743-N745 PolarHBondContact O-OD1 3.32Å; Y743-H746 WeakPolarHBondContact O-CA 3.26Å; Y743-H746 PolarHBondContact O-N 2.71Å; Y743-S747 WeakPolarHBondContact CD2-O 3.39Å; Y743-S747 PolarHBondContact N-O 2.94Å; Y743-D749 HydrophobicContact CE2-CB 4.43Å; Y743-D749 PolarHBondContact OH-OD2 3.44Å
744	P	76	Confident	90.2	Very high	121 Å²	121	25.8 Å²	25.8	79%	0.786	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.7	-177.2	-26.3	36.1	0	0	0	116	H746	P744-H746 PolarHBondContact O-CD2 3.37Å; P744-H746 PolarHBondContact O-N 3.05Å
745	N	76.7	Confident	90.2	Very high	96 Å²	96	25 Å²	25	51%	0.513	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.9	171.1	67.6	-9.1	0	0	0	113.2	Y743 S747 K801	Y743-N745 WeakPolarHBondContact CB-OD1 3.44Å; Y743-N745 PolarHBondContact O-N 2.97Å; Y743-N745 PolarHBondContact O-OD1 3.32Å; N745-S747 PolarHBondContact ND2-OG 3.01Å; N745-S747 PolarHBondContact OD1-N 2.93Å; N745-S747 PolarHBondContact OD1-OG 3.34Å; N745-K801 WeakPolarHBondContact O-CE 3.33Å; N745-K801 PolarHBondContact O-NZ 3.44Å
746	H	72.9	Confident	90.1	Very high	62 Å²	62	24.4 Å²	24.4	29%	0.287	13%	0.133	S	C	.	.	S	Bend	trans	62.5	35.9	-170	-37.5	-118.8	0	0	0	114.9	Y743 P744 K801 L806 R807	Y743-H746 WeakPolarHBondContact O-CA 3.26Å; Y743-H746 PolarHBondContact O-N 2.71Å; P744-H746 PolarHBondContact O-CD2 3.37Å; P744-H746 PolarHBondContact O-N 3.05Å; H746-K801 HydrophobicContact CB-CD 4.45Å; H746-K801 HydrophobicContact CB-CG 4.01Å; H746-K801 WeakPolarHBondContact CD2-CE 3.37Å; H746-K801 PolarHBondContact CD2-NZ 3.08Å; H746-K801 VanDerWaalsContact CD2-NZ 3.34Å; H746-L806 HydrophobicContact CB-CB 4.4Å; H746-L806 HydrophobicContact CB-CD1 4.07Å; H746-L806 HydrophobicContact CB-CG 4.35Å; H746-L806 WeakPolarHBondContact O-CD1 3.38Å; H746-R807 VanDerWaalsContact CE1-CG 3.41Å; H746-R807 WeakPolarHBondContact CE1-CG 3.23Å
747	S	83.4	Confident	90	Very high	16 Å²	16	27.4 Å²	27.4	11%	0.112	15%	0.151	C	C	.	.			trans	-94.6	150.8	152.2	61.5	0	0	0	0	110.3	Y743 N745 F799	Y743-S747 WeakPolarHBondContact CD2-O 3.39Å; Y743-S747 PolarHBondContact N-O 2.94Å; N745-S747 PolarHBondContact ND2-OG 3.01Å; N745-S747 PolarHBondContact OD1-N 2.93Å; N745-S747 PolarHBondContact OD1-OG 3.34Å; S747-F799 CarbonylContact C-O 3.59Å; S747-F799 VanDerWaalsContact CA-O 3.22Å; S747-F799 WeakPolarHBondContact CA-O 3.43Å; S747-F799 WeakPolarHBondContact CB-O 3.38Å
748	C	88.7	Confident	89.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.4	171.4	-58	0	0	0	0	111.2	E741 C742 N798 F799 L806	E741-C748 WeakPolarHBondContact O-CA 3.42Å; C742-C748 HydrophobicContact CB-CB 4.08Å; C742-C748 WeakPolarHBondContact CB-SG 3.46Å; C742-C748 WeakPolarHBondContact SG-CB 3.47Å; C742-C748 CovalentContact SG-SG 2.04Å; C742-C748 PolarHBondContact SG-SG 3.04Å; C748-N798 WeakPolarHBondContact O-CA 3.42Å; C748-F799 HydrophobicContact CB-CD2 4.23Å; C748-F799 HydrophobicContact CB-CE1 4.13Å; C748-F799 HydrophobicContact CB-CE2 3.53Å; C748-F799 HydrophobicContact CB-CZ 3.49Å; C748-F799 VanDerWaalsContact CB-CZ 3.49Å; C748-F799 PolarHBondContact N-O 2.78Å; C748-F799 PolarHBondContact O-N 2.97Å; C748-F799 VanDerWaalsContact O-N 3.12Å; C748-L806 VanDerWaalsContact SG-CD1 3.51Å
749	D	91.9	Very high	89.6	Confident	24 Å²	24	36.7 Å²	36.7	13%	0.128	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.4	163.3	-74	-22.6	0	0	0	109.6	A740 E741 Y743 Y751 V795 N798	A740-D749 WeakPolarHBondContact CA-O 3.44Å; E741-D749 PolarHBondContact N-O 3.28Å; E741-D749 PolarHBondContact O-N 3.28Å; Y743-D749 HydrophobicContact CE2-CB 4.43Å; Y743-D749 PolarHBondContact OH-OD2 3.44Å; D749-Y751 HydrophobicContact CB-CD2 4.04Å; D749-Y751 HydrophobicContact CB-CE2 3.3Å; D749-Y751 PolarHBondContact OD2-OH 3.49Å; D749-V795 HydrophobicContact CB-CG1 4.27Å; D749-V795 HydrophobicContact CB-CG2 4.12Å; D749-N798 PolarHBondContact OD1-ND2 3.32Å
750	I	93.8	Very high	89.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.4	168.5	-52	-53	0	0	0	108.1	L738 A740 L765 V795 V796 F797 F799 L812 L814	L738-I750 HydrophobicContact CD2-CG2 4.43Å; A740-I750 HydrophobicContact CB-CD1 3.76Å; I750-L765 HydrophobicContact CG2-CD2 4.18Å; I750-V795 WeakPolarHBondContact O-CA 3.48Å; I750-V796 HydrophobicContact CB-CG2 4.43Å; I750-V796 HydrophobicContact CG2-CG2 4.08Å; I750-V796 WeakPolarHBondContact O-CG2 3.22Å; I750-V796 PolarHBondContact O-N 3.41Å; I750-F797 HydrophobicContact CB-CB 4.26Å; I750-F797 HydrophobicContact CG1-CB 4.49Å; I750-F797 PolarHBondContact N-O 3.15Å; I750-F797 PolarHBondContact O-N 3.38Å; I750-F799 HydrophobicContact CD1-CE1 3.86Å; I750-F799 HydrophobicContact CD1-CZ 4.32Å; I750-F799 HydrophobicContact CG1-CE1 3.87Å; I750-L812 HydrophobicContact CD1-CD2 4.19Å; I750-L814 HydrophobicContact CD1-CD1 4.07Å; I750-L814 HydrophobicContact CD1-CD2 3.83Å; I750-L814 HydrophobicContact CG1-CD2 4.26Å; I750-L814 HydrophobicContact CG2-CD1 4.14Å; I750-L814 HydrophobicContact CG2-CD2 4.33Å
751	Y	95.3	Very high	89.3	Confident	8 Å²	8	42 Å²	42	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.1	176.1	-67.1	-103	0	0	0	110.3	R683 R687 L738 S739 E741 D749 H794 V795	R683-Y751 HydrophobicContact CB-CD1 4.32Å; R683-Y751 HydrophobicContact CB-CG 4.42Å; R683-Y751 HydrophobicContact CG-CD1 4.17Å; R683-Y751 HydrophobicContact CG-CD2 4.02Å; R683-Y751 HydrophobicContact CG-CG 3.78Å; R687-Y751 PolarHBondContact NH1-OH 2.97Å; L738-Y751 CarbonylContact C-O 3.56Å; L738-Y751 WeakPolarHBondContact CA-O 3.47Å; S739-Y751 PolarHBondContact N-O 2.85Å; S739-Y751 PolarHBondContact O-N 2.83Å; E741-Y751 HydrophobicContact CB-CD2 4.26Å; E741-Y751 HydrophobicContact CB-CE2 3.74Å; D749-Y751 HydrophobicContact CB-CD2 4.04Å; D749-Y751 HydrophobicContact CB-CE2 3.3Å; D749-Y751 PolarHBondContact OD2-OH 3.49Å; Y751-H794 CarbonylContact C-O 3.57Å; Y751-H794 VanDerWaalsContact CA-O 3.28Å; Y751-H794 WeakPolarHBondContact CA-O 3.48Å; Y751-V795 HydrophobicContact CD1-CG2 4.05Å; Y751-V795 HydrophobicContact CE1-CG2 3.42Å; Y751-V795 VanDerWaalsContact CE1-CG2 3.42Å; Y751-V795 HydrophobicContact CE2-CG2 4.03Å; Y751-V795 WeakPolarHBondContact OH-CG2 3.29Å
752	A	95.5	Very high	89.1	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.9	159.1	0	0	0	0	0	108.5	L738 V788 A793 H794 V796 L816	L738-A752 HydrophobicContact CD2-CB 4.36Å; A752-V788 HydrophobicContact CB-CG1 4.26Å; A752-V788 HydrophobicContact CB-CG2 3.7Å; A752-A793 WeakPolarHBondContact O-CA 3.48Å; A752-H794 PolarHBondContact N-O 3.11Å; A752-H794 PolarHBondContact O-N 3.28Å; A752-H794 VanDerWaalsContact O-N 3.08Å; A752-V796 HydrophobicContact CB-CB 4.34Å; A752-V796 HydrophobicContact CB-CG1 3.47Å; A752-V796 VanDerWaalsContact CB-CG1 3.47Å; A752-V796 HydrophobicContact CB-CG2 3.92Å; A752-L816 HydrophobicContact CB-CD1 4.4Å
753	I	96.6	Very high	89.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126	-176.1	-58.4	160.4	0	0	0	106.8	R682 R683 L736 L737 S792 A793	R682-I753 HydrophobicContact CB-CD1 3.93Å; R682-I753 HydrophobicContact CB-CG2 4.09Å; R683-I753 HydrophobicContact CG-CD1 4.01Å; L736-I753 WeakPolarHBondContact CA-O 3.4Å; L737-I753 HydrophobicContact CB-CB 4.31Å; L737-I753 HydrophobicContact CD2-CD1 4.12Å; L737-I753 HydrophobicContact CG-CD1 4.37Å; L737-I753 PolarHBondContact N-O 2.81Å; L737-I753 PolarHBondContact O-N 3.46Å; I753-S792 WeakPolarHBondContact CA-O 3.41Å; I753-A793 HydrophobicContact CB-CB 4.43Å; I753-A793 HydrophobicContact CG1-CB 3.87Å; I753-A793 HydrophobicContact CG2-CB 4.43Å
754	S	96.3	Very high	89.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.7	-176.7	-172.1	0	0	0	0	112	R685 P735 L756 L791 S792	R685-S754 PolarHBondContact NH1-O 3Å; P735-S754 CarbonylContact O-C 3.33Å; P735-S754 WeakPolarHBondContact O-CA 3.38Å; S754-L756 WeakPolarHBondContact OG-CB 3.49Å; S754-L756 PolarHBondContact OG-N 2.94Å; S754-L791 CarbonylContact O-C 3.56Å; S754-L791 VanDerWaalsContact O-C 3.26Å; S754-L791 WeakPolarHBondContact O-CA 3.28Å; S754-L791 PolarHBondContact O-N 3.3Å; S754-S792 PolarHBondContact N-O 2.99Å; S754-S792 PolarHBondContact O-N 3.3Å
755	D	96.7	Very high	90.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	21%	0.205	C	C	.	.			trans	-93.1	-0.7	165.4	-53.3	-29.4	0	0	0	111.8	K389 R682 R685 P735 L791	K389-D755 WeakPolarHBondContact CD-OD2 3.4Å; K389-D755 VanDerWaalsContact CE-OD2 3.29Å; K389-D755 WeakPolarHBondContact CE-OD2 3.49Å; K389-D755 IonicContact NZ-OD2 2.83Å; K389-D755 PolarHBondContact NZ-OD2 3.36Å; R682-D755 IonicContact CZ-OD1 3.37Å; R682-D755 IonicContact CZ-OD2 3.15Å; R682-D755 IonicContact NH2-OD1 3.85Å; R682-D755 PolarHBondContact NH2-OD1 3.2Å; R682-D755 IonicContact NH2-OD2 3.06Å; R682-D755 PolarHBondContact NH2-OD2 2.8Å; R685-D755 IonicContact CZ-OD1 2.74Å; R685-D755 IonicContact NH1-OD1 2.78Å; R685-D755 PolarHBondContact NH1-OD1 3.41Å; P735-D755 PolarHBondContact O-N 2.91Å; D755-L791 VanDerWaalsContact O-CD2 3.31Å; D755-L791 WeakPolarHBondContact O-CD2 3.39Å
756	L	95	Very high	91.2	Very high	30 Å²	30	37.9 Å²	37.9	16%	0.157	19%	0.185	C	C	.	.			trans	-70.6	135	-176.9	-58.4	172	0	0	0	109.8	P735 L736 S754 K758 V760 P790 L791 N821	P735-L756 HydrophobicContact CB-CD2 3.89Å; P735-L756 HydrophobicContact CB-CG 4.46Å; L736-L756 HydrophobicContact CB-CD1 4.49Å; S754-L756 WeakPolarHBondContact OG-CB 3.49Å; S754-L756 PolarHBondContact OG-N 2.94Å; L756-K758 WeakPolarHBondContact CB-O 3.46Å; L756-K758 PolarHBondContact O-N 2.91Å; L756-V760 HydrophobicContact CD1-CG2 3.5Å; L756-P790 CarbonylContact O-C 3.58Å; L756-P790 WeakPolarHBondContact O-CA 3.39Å; L756-P790 WeakPolarHBondContact O-CB 3.35Å; L756-L791 PolarHBondContact O-N 3.35Å; L756-L791 VanDerWaalsContact O-N 3.12Å; L756-N821 HydrophobicContact CD1-CB 4.32Å
757	V	92.9	Very high	92.1	Very high	73 Å²	73	35 Å²	35	44%	0.442	17%	0.172	S	C	.	.	S	Bend	trans	-76.6	-5	175	-61.3	0	0	0	0	113.3	Y334 V384 L791	Y334-V757 HydrophobicContact CD1-CG1 3.89Å; Y334-V757 HydrophobicContact CE1-CG1 4.43Å; V384-V757 HydrophobicContact CG1-CG1 4.13Å; V757-L791 HydrophobicContact CG1-CD2 4.28Å
758	K	92.1	Very high	92.5	Very high	144 Å²	144	37.3 Å²	37.3	63%	0.626	18%	0.181	S	C	*	.	S	Bend	trans	-118.4	146.1	173.3	-68.2	178.3	-179.4	175.1	0	109.6	L756	L756-K758 WeakPolarHBondContact CB-O 3.46Å; L756-K758 PolarHBondContact O-N 2.91Å
759	P	91.8	Very high	92.6	Very high	53 Å²	53	37.3 Å²	37.3	34%	0.344	18%	0.181	S	C	.	.			trans	-66.2	142	171.6	26.4	-33.1	0	0	0	111.9	I787 V788	P759-I787 HydrophobicContact CB-CD1 3.58Å; P759-I787 HydrophobicContact CB-CG1 3.63Å; P759-I787 HydrophobicContact CG-CD1 4.23Å; P759-V788 WeakPolarHBondContact CA-O 3.3Å
760	V	90.3	Very high	92.6	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.8	166.8	-173.7	0	0	0	0	108	L736 L756 I763 I787 V788 N821	L736-V760 HydrophobicContact CD1-CG2 4.43Å; L736-V760 HydrophobicContact CD2-CG2 4.3Å; L756-V760 HydrophobicContact CD1-CG2 3.5Å; V760-I763 HydrophobicContact CB-CD1 4.02Å; V760-I763 HydrophobicContact CG1-CD1 3.92Å; V760-I763 HydrophobicContact CG1-CG1 3.93Å; V760-I787 CarbonylContact O-C 3.58Å; V760-I787 VanDerWaalsContact O-CA 3.27Å; V760-I787 WeakPolarHBondContact O-CA 3.34Å; V760-V788 PolarHBondContact N-O 3.36Å; V760-V788 VanDerWaalsContact N-O 3.16Å; V760-V788 PolarHBondContact O-N 2.9Å; V760-N821 HydrophobicContact CG1-CB 4.47Å; V760-N821 HydrophobicContact CG2-CB 4.31Å
761	K	90.7	Very high	92.5	Very high	110 Å²	110	39.9 Å²	39.9	48%	0.478	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	169.6	-173	-65.8	-179.5	-176.9	179.2	0	112.2	I763 D819	K761-I763 PolarHBondContact O-N 3.13Å; K761-D819 WeakPolarHBondContact CB-OD2 3.07Å
762	N	85.7	Confident	92.4	Very high	117 Å²	117	40 Å²	40	63%	0.626	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53.9	38.6	175.3	-56.4	-32.9	0	0	0	113.4	D819	N762-D819 WeakPolarHBondContact CB-OD1 3.35Å; N762-D819 VanDerWaalsContact ND2-CG 3.3Å; N762-D819 PolarHBondContact ND2-OD1 2.78Å; N762-D819 PolarHBondContact ND2-OD2 3.1Å
763	I	86.9	Confident	92.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.7	-164.5	-65.8	172.3	0	0	0	110.7	V760 K761 T784 L785 V788 L816 Q817	V760-I763 HydrophobicContact CB-CD1 4.02Å; V760-I763 HydrophobicContact CG1-CD1 3.92Å; V760-I763 HydrophobicContact CG1-CG1 3.93Å; K761-I763 PolarHBondContact O-N 3.13Å; I763-T784 CarbonylContact O-C 3.6Å; I763-T784 VanDerWaalsContact O-CA 3.23Å; I763-T784 WeakPolarHBondContact O-CA 3.43Å; I763-L785 HydrophobicContact CB-CB 4.23Å; I763-L785 WeakPolarHBondContact CB-O 3.47Å; I763-L785 HydrophobicContact CG2-CB 4.48Å; I763-L785 PolarHBondContact N-O 3.45Å; I763-L785 PolarHBondContact O-N 3.36Å; I763-V788 HydrophobicContact CD1-CB 3.62Å; I763-V788 HydrophobicContact CD1-CG2 3.42Å; I763-V788 VanDerWaalsContact CD1-CG2 3.42Å; I763-L816 HydrophobicContact CG1-CD2 4.47Å; I763-L816 HydrophobicContact CG2-CD1 3.83Å; I763-L816 HydrophobicContact CG2-CD2 3.79Å; I763-L816 HydrophobicContact CG2-CG 3.5Å; I763-L816 VanDerWaalsContact CG2-CG 3.5Å; I763-Q817 WeakPolarHBondContact CA-O 3.27Å
764	R	93.1	Very high	91.9	Very high	131 Å²	131	43.9 Å²	43.9	49%	0.494	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.4	164.6	-179.3	-177.6	-68.3	152.5	-2.4	109.1	T784 L816 Q817	R764-T784 HydrophobicContact CB-CG2 4.43Å; R764-L816 WeakPolarHBondContact O-CA 3.43Å; R764-Q817 PolarHBondContact N-O 2.82Å; R764-Q817 PolarHBondContact O-N 2.89Å
765	L	93.1	Very high	91.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.5	169.6	173.6	63.8	0	0	0	109.2	L738 I750 V767 H782 T783 V796 F797 L816	L738-L765 HydrophobicContact CD1-CD1 3.87Å; L738-L765 HydrophobicContact CD2-CD1 4.05Å; I750-L765 HydrophobicContact CG2-CD2 4.18Å; L765-V767 HydrophobicContact CD1-CG2 4.31Å; L765-V767 HydrophobicContact CD2-CG2 4.31Å; L765-V767 HydrophobicContact CG-CG2 4.02Å; L765-H782 WeakPolarHBondContact O-CA 3.38Å; L765-T783 HydrophobicContact CB-CG2 3.82Å; L765-T783 HydrophobicContact CD2-CG2 4.03Å; L765-T783 HydrophobicContact CG-CG2 4.24Å; L765-T783 PolarHBondContact N-O 3.11Å; L765-T783 PolarHBondContact O-N 2.92Å; L765-V796 HydrophobicContact CD2-CB 4.45Å; L765-V796 HydrophobicContact CD2-CG2 3.86Å; L765-F797 HydrophobicContact CD2-CB 3.72Å; L765-L816 HydrophobicContact CD1-CB 4.34Å
766	T	93.4	Very high	91.2	Very high	15 Å²	15	53 Å²	53	9%	0.092	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.8	176.4	-64.6	0	0	0	0	108.5	Q768 L781 H782 H815	T766-Q768 HydrophobicContact CG2-CG 3.7Å; T766-L781 WeakPolarHBondContact CA-O 3.45Å; T766-H782 VanDerWaalsContact CG2-CE1 3.44Å; T766-H782 WeakPolarHBondContact CG2-CE1 3.44Å; T766-H782 WeakPolarHBondContact CG2-ND1 3.41Å; T766-H782 PolarHBondContact OG1-ND1 3.03Å; T766-H815 PolarHBondContact N-O 2.82Å; T766-H815 PolarHBondContact O-N 3.46Å
767	V	91.5	Very high	90.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.2	-175.9	-178.3	0	0	0	0	106.9	L765 F769 S780 L781 F797 F799 L812 L814	L765-V767 HydrophobicContact CD1-CG2 4.31Å; L765-V767 HydrophobicContact CD2-CG2 4.31Å; L765-V767 HydrophobicContact CG-CG2 4.02Å; V767-F769 HydrophobicContact CG1-CE2 3.78Å; V767-F769 HydrophobicContact CG1-CZ 3.85Å; V767-S780 WeakPolarHBondContact O-CA 3.18Å; V767-L781 HydrophobicContact CB-CB 4.34Å; V767-L781 PolarHBondContact N-O 2.91Å; V767-L781 PolarHBondContact O-N 3Å; V767-F797 HydrophobicContact CG2-CD1 4.05Å; V767-F797 HydrophobicContact CG2-CE1 4.39Å; V767-F799 HydrophobicContact CG1-CE1 3.87Å; V767-L812 HydrophobicContact CG1-CD1 3.56Å; V767-L814 HydrophobicContact CB-CD2 4.34Å; V767-L814 HydrophobicContact CG1-CD2 3.89Å; V767-L814 HydrophobicContact CG2-CD2 4.02Å
768	Q	91.6	Very high	89.9	Confident	66 Å²	66	55.1 Å²	55.1	31%	0.308	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.8	-174.5	-50	-167.8	-86.5	0	0	110.6	T766 L770 S780 S813	T766-Q768 HydrophobicContact CG2-CG 3.7Å; Q768-L770 HydrophobicContact CB-CD1 4.14Å; Q768-S780 WeakPolarHBondContact CG-OG 3.37Å; Q768-S780 PolarHBondContact NE2-OG 3.31Å; Q768-S813 PolarHBondContact N-O 3.06Å; Q768-S813 PolarHBondContact O-N 3.45Å
769	F	90.6	Very high	89.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.1	177.8	-54	-100.3	0	0	0	108.6	V767 S777 E778 C779 L781 F799 L806 F809 I811 L812 F829	V767-F769 HydrophobicContact CG1-CE2 3.78Å; V767-F769 HydrophobicContact CG1-CZ 3.85Å; F769-S777 PolarHBondContact N-OG 3.07Å; F769-S777 WeakPolarHBondContact O-CA 3.34Å; F769-S777 PolarHBondContact O-OG 3.18Å; F769-E778 PolarHBondContact O-N 3.35Å; F769-C779 HydrophobicContact CB-CB 4.16Å; F769-C779 HydrophobicContact CD2-CB 3.86Å; F769-C779 WeakPolarHBondContact CD2-O 3.33Å; F769-C779 WeakPolarHBondContact CD2-SG 3.48Å; F769-C779 HydrophobicContact CG-CB 4.33Å; F769-C779 PolarHBondContact N-O 3.14Å; F769-L781 HydrophobicContact CE2-CD1 3.83Å; F769-L781 HydrophobicContact CE2-CG 4.25Å; F769-L781 HydrophobicContact CZ-CD1 4.38Å; F769-F799 HydrophobicContact CE1-CD2 4.47Å; F769-F799 AromaticContact CE1-CE2 3.71Å; F769-F799 HydrophobicContact CE1-CE2 3.71Å; F769-F799 AromaticContact CE1-CZ 3.72Å; F769-F799 HydrophobicContact CE1-CZ 3.72Å; F769-F799 HydrophobicContact CZ-CD1 4.34Å; F769-F799 HydrophobicContact CZ-CD2 4.07Å; F769-F799 AromaticContact CZ-CE1 3.91Å; F769-F799 HydrophobicContact CZ-CE1 3.91Å; F769-F799 AromaticContact CZ-CE2 3.64Å; F769-F799 HydrophobicContact CZ-CE2 3.64Å; F769-F799 HydrophobicContact CZ-CG 4.4Å; F769-F799 AromaticContact CZ-CZ 3.53Å; F769-F799 HydrophobicContact CZ-CZ 3.53Å; F769-L806 HydrophobicContact CD1-CD2 4.12Å; F769-L806 HydrophobicContact CE1-CD2 3.49Å; F769-L806 VanDerWaalsContact CE1-CD2 3.49Å; F769-L806 HydrophobicContact CZ-CD2 4.23Å; F769-F809 HydrophobicContact CB-CB 4.09Å; F769-F809 HydrophobicContact CB-CD1 3.38Å; F769-F809 HydrophobicContact CB-CD2 4.06Å; F769-F809 HydrophobicContact CB-CE1 3.67Å; F769-F809 HydrophobicContact CB-CE2 4.33Å; F769-F809 HydrophobicContact CB-CG 3.58Å; F769-F809 HydrophobicContact CB-CZ 4.15Å; F769-F809 HydrophobicContact CD1-CD2 4.31Å; F769-F809 HydrophobicContact CD1-CG 4.4Å; F769-F809 HydrophobicContact CG-CD2 4.44Å; F769-F809 HydrophobicContact CG-CG 4.37Å; F769-I811 WeakPolarHBondContact CA-O 3.35Å; F769-L812 HydrophobicContact CD1-CD1 3.89Å; F769-L812 HydrophobicContact CE1-CD1 3.59Å; F769-L812 HydrophobicContact CE2-CD1 4.45Å; F769-L812 HydrophobicContact CG-CD1 4.43Å; F769-L812 HydrophobicContact CZ-CD1 3.91Å; F769-F829 HydrophobicContact CD1-CE2 4.09Å; F769-F829 HydrophobicContact CE1-CE2 4.35Å; F769-F829 HydrophobicContact CE1-CZ 4.49Å
770	L	91.8	Very high	89.4	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.037	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	162.9	-175.7	-56.7	92.8	0	0	0	111	Q768 D810 I811	Q768-L770 HydrophobicContact CB-CD1 4.14Å; L770-D810 PolarHBondContact O-N 3.27Å; L770-I811 HydrophobicContact CB-CB 4.32Å; L770-I811 PolarHBondContact N-O 3.46Å; L770-I811 PolarHBondContact O-N 3.28Å; L770-I811 VanDerWaalsContact O-N 3.08Å
771	K	91.9	Very high	89.4	Confident	71 Å²	71	49.9 Å²	49.9	31%	0.309	25%	0.253	S	S	.	.			trans	-114.5	154.9	171.1	-68.8	174.9	-174.9	156.1	0	110.5	S774 E778 N808 D810	K771-S774 PolarHBondContact O-N 3.31Å; K771-E778 WeakPolarHBondContact CD-OE1 3.49Å; K771-E778 WeakPolarHBondContact CE-OE1 3.38Å; K771-E778 WeakPolarHBondContact CE-OE2 3.3Å; K771-E778 IonicContact NZ-OE1 2.98Å; K771-E778 PolarHBondContact NZ-OE1 2.86Å; K771-E778 IonicContact NZ-OE2 3.03Å; K771-E778 PolarHBondContact NZ-OE2 3.03Å; K771-N808 WeakPolarHBondContact CE-O 3.32Å; K771-D810 VanDerWaalsContact CA-OD2 3.22Å; K771-D810 WeakPolarHBondContact CA-OD2 3.4Å; K771-D810 WeakPolarHBondContact CB-OD2 3.35Å
772	W	92	Very high	89.3	Confident	11 Å²	11	50.5 Å²	50.5	4%	0.042	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	137.7	167.8	-67.5	118	0	0	0	110.5	D810 I811 L828 S830 L832 V835 K839 L840 P866 A868 I887	W772-D810 HydrophobicContact CG-CB 4.06Å; W772-D810 PolarHBondContact N-OD2 2.83Å; W772-I811 HydrophobicContact CD2-CD1 4.02Å; W772-I811 HydrophobicContact CD2-CG1 4.42Å; W772-I811 HydrophobicContact CE3-CD1 3.87Å; W772-I811 HydrophobicContact CH2-CD1 3.67Å; W772-I811 HydrophobicContact CH2-CG1 4.29Å; W772-I811 HydrophobicContact CZ2-CD1 3.85Å; W772-I811 HydrophobicContact CZ2-CG1 3.99Å; W772-I811 HydrophobicContact CZ3-CD1 3.68Å; W772-L828 HydrophobicContact CH2-CD2 4.42Å; W772-L828 HydrophobicContact CZ2-CD2 3.73Å; W772-S830 PolarHBondContact NE1-OG 3.19Å; W772-L832 HydrophobicContact CZ2-CD2 4.14Å; W772-V835 HydrophobicContact CB-CG1 4.14Å; W772-V835 HydrophobicContact CG-CG1 3.96Å; W772-K839 HydrophobicContact CB-CB 3.96Å; W772-K839 WeakPolarHBondContact CB-O 3.44Å; W772-L840 HydrophobicContact CD2-CD2 3.96Å; W772-L840 HydrophobicContact CE3-CD2 4.25Å; W772-L840 HydrophobicContact CG-CD2 4.41Å; W772-L840 HydrophobicContact CH2-CD2 4.49Å; W772-L840 HydrophobicContact CZ2-CD2 4.18Å; W772-P866 HydrophobicContact CE3-CB 4.19Å; W772-P866 HydrophobicContact CZ3-CB 4.18Å; W772-A868 HydrophobicContact CH2-CB 3.63Å; W772-A868 HydrophobicContact CZ2-CB 4.38Å; W772-A868 HydrophobicContact CZ3-CB 3.78Å; W772-I887 HydrophobicContact CH2-CG2 3.8Å; W772-I887 HydrophobicContact CZ3-CG2 4.12Å
773	G	91	Very high	89.4	Confident	31 Å²	31	46.7 Å²	46.7	32%	0.32	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	3.5	-176.1	0	0	0	0	0	116.8	K839	G773-K839 PolarHBondContact N-O 2.87Å
774	S	91.2	Very high	89.5	Confident	50 Å²	50	51.7 Å²	51.7	35%	0.35	27%	0.269	S	S	.	.			trans	-153.5	136	170.8	-176.1	0	0	0	0	113.5	K771 Q776 P866	K771-S774 PolarHBondContact O-N 3.31Å; S774-Q776 PolarHBondContact O-N 2.78Å; S774-Q776 WeakPolarHBondContact OG-CB 3.4Å; S774-Q776 PolarHBondContact OG-N 3.11Å; S774-Q776 VanDerWaalsContact OG-N 3.09Å; S774-P866 WeakPolarHBondContact O-CD 3.29Å; S774-P866 VanDerWaalsContact O-CG 3.25Å; S774-P866 WeakPolarHBondContact O-CG 3.46Å
775	F	90.9	Very high	89.1	Confident	48 Å²	48	47.2 Å²	47.2	21%	0.211	26%	0.255	C	S	.	.	S	Bend	trans	-74.1	-12.9	169.8	-68.9	-60	0	0	0	113.1	S777 A863 S864 Q865 P866 L889 Q890 S891	F775-S777 PolarHBondContact O-N 2.68Å; F775-A863 WeakPolarHBondContact CE2-O 3.28Å; F775-S864 VanDerWaalsContact CD2-O 3.29Å; F775-S864 WeakPolarHBondContact CD2-O 3.45Å; F775-S864 VanDerWaalsContact CE2-O 3.29Å; F775-S864 WeakPolarHBondContact CE2-O 3.43Å; F775-Q865 VanDerWaalsContact CE2-CA 3.49Å; F775-Q865 VanDerWaalsContact CE2-N 3.26Å; F775-Q865 WeakPolarHBondContact CZ-O 3.37Å; F775-P866 HydrophobicContact CD1-CG 3.77Å; F775-P866 HydrophobicContact CE1-CB 4.37Å; F775-P866 HydrophobicContact CE1-CG 4.08Å; F775-P866 HydrophobicContact CG-CG 4.43Å; F775-L889 WeakPolarHBondContact CD1-O 3.47Å; F775-L889 VanDerWaalsContact CE1-C 3.49Å; F775-Q890 VanDerWaalsContact CE1-C 3.48Å; F775-Q890 VanDerWaalsContact CZ-C 3.44Å; F775-Q890 WeakPolarHBondContact CZ-O 3.45Å; F775-S891 VanDerWaalsContact CE2-CA 3.47Å
776	Q	87.5	Confident	88.6	Confident	148 Å²	148	52.2 Å²	52.2	69%	0.692	29%	0.287	S	S	*	.			trans	-71.7	114.6	179.8	-174.7	174.1	-11.5	0	0	109.9	S774 E778	S774-Q776 PolarHBondContact O-N 2.78Å; S774-Q776 WeakPolarHBondContact OG-CB 3.4Å; S774-Q776 PolarHBondContact OG-N 3.11Å; S774-Q776 VanDerWaalsContact OG-N 3.09Å; Q776-E778 PolarHBondContact O-N 3.27Å
777	S	81.8	Confident	88.4	Confident	26 Å²	26	54.4 Å²	54.4	18%	0.182	30%	0.298	C	S	.	.			trans	-68.8	121.9	169.1	-178	0	0	0	0	110	F769 F775 C779 S780	F769-S777 PolarHBondContact N-OG 3.07Å; F769-S777 WeakPolarHBondContact O-CA 3.34Å; F769-S777 PolarHBondContact O-OG 3.18Å; F775-S777 PolarHBondContact O-N 2.68Å; S777-C779 PolarHBondContact OG-O 3.3Å; S777-S780 WeakPolarHBondContact CB-OG 3.3Å; S777-S780 PolarHBondContact OG-OG 3.44Å
778	E	79.9	Confident	88.4	Confident	121 Å²	121	54.7 Å²	54.7	57%	0.565	30%	0.299	S	S	*	.	S	Bend	trans	-82.1	-21.8	177.6	-90.1	-178.9	-141.7	0	0	112.6	F769 K771 Q776 F809	F769-E778 PolarHBondContact O-N 3.35Å; K771-E778 WeakPolarHBondContact CD-OE1 3.49Å; K771-E778 WeakPolarHBondContact CE-OE1 3.38Å; K771-E778 WeakPolarHBondContact CE-OE2 3.3Å; K771-E778 IonicContact NZ-OE1 2.98Å; K771-E778 PolarHBondContact NZ-OE1 2.86Å; K771-E778 IonicContact NZ-OE2 3.03Å; K771-E778 PolarHBondContact NZ-OE2 3.03Å; Q776-E778 PolarHBondContact O-N 3.27Å; E778-F809 HydrophobicContact CB-CE1 3.76Å
779	C	85.2	Confident	88.5	Confident	12 Å²	12	55.8 Å²	55.8	8%	0.081	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	125.7	171.5	166.6	0	0	0	0	109.4	F769 S777 C804 F809	F769-C779 HydrophobicContact CB-CB 4.16Å; F769-C779 HydrophobicContact CD2-CB 3.86Å; F769-C779 WeakPolarHBondContact CD2-O 3.33Å; F769-C779 WeakPolarHBondContact CD2-SG 3.48Å; F769-C779 HydrophobicContact CG-CB 4.33Å; F769-C779 PolarHBondContact N-O 3.14Å; S777-C779 PolarHBondContact OG-O 3.3Å; C779-C804 HydrophobicContact CB-CB 3.97Å; C779-C804 WeakPolarHBondContact CB-SG 3.46Å; C779-C804 WeakPolarHBondContact SG-CB 3.33Å; C779-C804 CovalentContact SG-SG 2.03Å; C779-C804 PolarHBondContact SG-SG 2.96Å; C779-F809 HydrophobicContact CB-CE1 3.96Å; C779-F809 HydrophobicContact CB-CZ 3.66Å
780	S	88	Confident	88.7	Confident	48 Å²	48	57.9 Å²	57.9	34%	0.336	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.7	174.7	-77.6	0	0	0	0	109.5	V767 Q768 S777	V767-S780 WeakPolarHBondContact O-CA 3.18Å; Q768-S780 WeakPolarHBondContact CG-OG 3.37Å; Q768-S780 PolarHBondContact NE2-OG 3.31Å; S777-S780 WeakPolarHBondContact CB-OG 3.3Å; S777-S780 PolarHBondContact OG-OG 3.44Å
781	L	89.3	Confident	88.9	Confident	33 Å²	33	59.6 Å²	59.6	17%	0.173	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.1	179.4	-51.1	170.4	0	0	0	108.8	T766 V767 F769 F797 T803	T766-L781 WeakPolarHBondContact CA-O 3.45Å; V767-L781 HydrophobicContact CB-CB 4.34Å; V767-L781 PolarHBondContact N-O 2.91Å; V767-L781 PolarHBondContact O-N 3Å; F769-L781 HydrophobicContact CE2-CD1 3.83Å; F769-L781 HydrophobicContact CE2-CG 4.25Å; F769-L781 HydrophobicContact CZ-CD1 4.38Å; L781-F797 HydrophobicContact CB-CE1 4.37Å; L781-F797 HydrophobicContact CB-CZ 4.36Å; L781-F797 HydrophobicContact CD1-CE1 3.88Å; L781-F797 HydrophobicContact CD1-CZ 4.13Å; L781-T803 HydrophobicContact CD1-CG2 3.54Å; L781-T803 HydrophobicContact CD2-CG2 3.73Å; L781-T803 HydrophobicContact CG-CG2 4.31Å
782	H	88.7	Confident	89.1	Confident	124 Å²	124	56.5 Å²	56.5	57%	0.574	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.7	176.8	-54.4	-78.9	0	0	0	109.5	L765 T766	L765-H782 WeakPolarHBondContact O-CA 3.38Å; T766-H782 VanDerWaalsContact CG2-CE1 3.44Å; T766-H782 WeakPolarHBondContact CG2-CE1 3.44Å; T766-H782 WeakPolarHBondContact CG2-ND1 3.41Å; T766-H782 PolarHBondContact OG1-ND1 3.03Å
783	T	88.4	Confident	89.3	Confident	37 Å²	37	56.2 Å²	56.2	23%	0.227	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.9	170.7	-172.3	0	0	0	0	110.2	L765 F797	L765-T783 HydrophobicContact CB-CG2 3.82Å; L765-T783 HydrophobicContact CD2-CG2 4.03Å; L765-T783 HydrophobicContact CG-CG2 4.24Å; L765-T783 PolarHBondContact N-O 3.11Å; L765-T783 PolarHBondContact O-N 2.92Å; T783-F797 HydrophobicContact CG2-CB 4.35Å; T783-F797 HydrophobicContact CG2-CD2 3.78Å; T783-F797 HydrophobicContact CG2-CE2 4.35Å; T783-F797 HydrophobicContact CG2-CG 4.2Å
784	T	89.2	Confident	89.5	Confident	105 Å²	105	59 Å²	59	64%	0.644	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.1	175.9	50.3	0	0	0	0	110	I763 R764	I763-T784 CarbonylContact O-C 3.6Å; I763-T784 VanDerWaalsContact O-CA 3.23Å; I763-T784 WeakPolarHBondContact O-CA 3.43Å; R764-T784 HydrophobicContact CB-CG2 4.43Å
785	L	84	Confident	89.6	Confident	38 Å²	38	59.8 Å²	59.8	20%	0.199	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134	-172.7	-66.5	161.8	0	0	0	108.9	I763 I787 V796	I763-L785 HydrophobicContact CB-CB 4.23Å; I763-L785 WeakPolarHBondContact CB-O 3.47Å; I763-L785 HydrophobicContact CG2-CB 4.48Å; I763-L785 PolarHBondContact N-O 3.45Å; I763-L785 PolarHBondContact O-N 3.36Å; L785-I787 VanDerWaalsContact C-N 3.26Å; L785-I787 PolarHBondContact O-N 3.17Å; L785-V796 HydrophobicContact CD1-CB 3.56Å; L785-V796 HydrophobicContact CD1-CG1 3.9Å
786	P	82.4	Confident	89.6	Confident	105 Å²	105	58.5 Å²	58.5	68%	0.682	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	-30.4	-175.5	26.4	-33.6	0	0	0	112.3
787	I	90.5	Very high	89.7	Confident	61 Å²	61	53.6 Å²	53.6	31%	0.313	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	144.1	-169.8	-162.4	164.2	0	0	0	112.1	P759 V760 L785	P759-I787 HydrophobicContact CB-CD1 3.58Å; P759-I787 HydrophobicContact CB-CG1 3.63Å; P759-I787 HydrophobicContact CG-CD1 4.23Å; V760-I787 CarbonylContact O-C 3.58Å; V760-I787 VanDerWaalsContact O-CA 3.27Å; V760-I787 WeakPolarHBondContact O-CA 3.34Å; L785-I787 VanDerWaalsContact C-N 3.26Å; L785-I787 PolarHBondContact O-N 3.17Å
788	V	91.4	Very high	90	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.042	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.6	154.2	160	0	0	0	0	107.2	L736 A752 P759 V760 I763 V796	L736-V788 HydrophobicContact CD1-CG1 4.21Å; A752-V788 HydrophobicContact CB-CG1 4.26Å; A752-V788 HydrophobicContact CB-CG2 3.7Å; P759-V788 WeakPolarHBondContact CA-O 3.3Å; V760-V788 PolarHBondContact N-O 3.36Å; V760-V788 VanDerWaalsContact N-O 3.16Å; V760-V788 PolarHBondContact O-N 2.9Å; I763-V788 HydrophobicContact CD1-CB 3.62Å; I763-V788 HydrophobicContact CD1-CG2 3.42Å; I763-V788 VanDerWaalsContact CD1-CG2 3.42Å; V788-V796 HydrophobicContact CG2-CG1 4.05Å
789	Q	92.8	Very high	90.1	Very high	89 Å²	89	50.6 Å²	50.6	42%	0.416	28%	0.279	S	S	.	.			trans	-72.9	145	-173.2	-61.6	-62.7	-8.4	0	0	111.6	S792	Q789-S792 PolarHBondContact O-OG 3.19Å
790	P	94.5	Very high	89.4	Confident	44 Å²	44	53.1 Å²	53.1	29%	0.286	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	150.8	176.3	28.6	-35.4	0	0	0	111.4	L756 S792	L756-P790 CarbonylContact O-C 3.58Å; L756-P790 WeakPolarHBondContact O-CA 3.39Å; L756-P790 WeakPolarHBondContact O-CB 3.35Å; P790-S792 PolarHBondContact O-N 3.03Å; P790-S792 VanDerWaalsContact O-N 3.08Å
791	L	96.3	Very high	88.3	Confident	42 Å²	42	55.4 Å²	55.4	22%	0.22	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	26	172.9	-54.2	175.6	0	0	0	115.7	Y334 V384 R685 S754 D755 L756 V757	Y334-L791 HydrophobicContact CE1-CD2 3.72Å; V384-L791 HydrophobicContact CG1-CD1 3.62Å; R685-L791 VanDerWaalsContact CZ-O 3.3Å; R685-L791 PolarHBondContact NE-O 2.86Å; R685-L791 VanDerWaalsContact NH2-C 3.26Å; R685-L791 PolarHBondContact NH2-O 3.45Å; S754-L791 CarbonylContact O-C 3.56Å; S754-L791 VanDerWaalsContact O-C 3.26Å; S754-L791 WeakPolarHBondContact O-CA 3.28Å; S754-L791 PolarHBondContact O-N 3.3Å; D755-L791 VanDerWaalsContact O-CD2 3.31Å; D755-L791 WeakPolarHBondContact O-CD2 3.39Å; L756-L791 PolarHBondContact O-N 3.35Å; L756-L791 VanDerWaalsContact O-N 3.12Å; V757-L791 HydrophobicContact CG1-CD2 4.28Å
792	S	96.6	Very high	87.2	Confident	6 Å²	6	59.6 Å²	59.6	4%	0.042	32%	0.323	C	S	.	.			trans	-121.6	168	-167.5	75.2	0	0	0	0	114.6	S686 I753 S754 Q789 P790 H794	S686-S792 WeakPolarHBondContact OG-CA 3.47Å; I753-S792 WeakPolarHBondContact CA-O 3.41Å; S754-S792 PolarHBondContact N-O 2.99Å; S754-S792 PolarHBondContact O-N 3.3Å; Q789-S792 PolarHBondContact O-OG 3.19Å; P790-S792 PolarHBondContact O-N 3.03Å; P790-S792 VanDerWaalsContact O-N 3.08Å; S792-H794 PolarHBondContact OG-CD2 3.3Å
793	A	96.5	Very high	86.4	Confident	6 Å²	6	56.6 Å²	56.6	5%	0.05	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.8	157.8	0	0	0	0	0	110.5	R682 R685 S686 A752 I753	R682-A793 WeakPolarHBondContact O-CB 3.49Å; R685-A793 HydrophobicContact CG-CB 3.57Å; S686-A793 WeakPolarHBondContact CB-O 3.23Å; S686-A793 PolarHBondContact OG-N 3.28Å; A752-A793 WeakPolarHBondContact O-CA 3.48Å; I753-A793 HydrophobicContact CB-CB 4.43Å; I753-A793 HydrophobicContact CG1-CB 3.87Å; I753-A793 HydrophobicContact CG2-CB 4.43Å
794	H	93.7	Very high	85.6	Confident	90 Å²	90	56 Å²	56	42%	0.417	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.6	-178.6	-63.8	-56.9	0	0	0	111.6	Y751 A752 S792 V796	Y751-H794 CarbonylContact C-O 3.57Å; Y751-H794 VanDerWaalsContact CA-O 3.28Å; Y751-H794 WeakPolarHBondContact CA-O 3.48Å; A752-H794 PolarHBondContact N-O 3.11Å; A752-H794 PolarHBondContact O-N 3.28Å; A752-H794 VanDerWaalsContact O-N 3.08Å; S792-H794 PolarHBondContact OG-CD2 3.3Å; H794-V796 PolarHBondContact O-N 2.9Å
795	V	93.7	Very high	84.9	Confident	66 Å²	66	52.8 Å²	52.8	40%	0.4	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	124.5	165.9	-176.9	0	0	0	0	108.2	D749 I750 Y751 F797	D749-V795 HydrophobicContact CB-CG1 4.27Å; D749-V795 HydrophobicContact CB-CG2 4.12Å; I750-V795 WeakPolarHBondContact O-CA 3.48Å; Y751-V795 HydrophobicContact CD1-CG2 4.05Å; Y751-V795 HydrophobicContact CE1-CG2 3.42Å; Y751-V795 VanDerWaalsContact CE1-CG2 3.42Å; Y751-V795 HydrophobicContact CE2-CG2 4.03Å; Y751-V795 WeakPolarHBondContact OH-CG2 3.29Å; V795-F797 WeakPolarHBondContact CG1-O 3.3Å
796	V	91.4	Very high	84.3	Confident	21 Å²	21	51.4 Å²	51.4	13%	0.127	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-22	177.8	-76.8	0	0	0	0	112.5	I750 A752 L765 L785 V788 H794	I750-V796 HydrophobicContact CB-CG2 4.43Å; I750-V796 HydrophobicContact CG2-CG2 4.08Å; I750-V796 WeakPolarHBondContact O-CG2 3.22Å; I750-V796 PolarHBondContact O-N 3.41Å; A752-V796 HydrophobicContact CB-CB 4.34Å; A752-V796 HydrophobicContact CB-CG1 3.47Å; A752-V796 VanDerWaalsContact CB-CG1 3.47Å; A752-V796 HydrophobicContact CB-CG2 3.92Å; L765-V796 HydrophobicContact CD2-CB 4.45Å; L765-V796 HydrophobicContact CD2-CG2 3.86Å; L785-V796 HydrophobicContact CD1-CB 3.56Å; L785-V796 HydrophobicContact CD1-CG1 3.9Å; V788-V796 HydrophobicContact CG2-CG1 4.05Å; H794-V796 PolarHBondContact O-N 2.9Å
797	F	89.7	Confident	83.8	Confident	45 Å²	45	54.1 Å²	54.1	20%	0.197	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	145.8	174.6	-169.1	-117.8	0	0	0	109.4	I750 L765 V767 L781 T783 V795 F799	I750-F797 HydrophobicContact CB-CB 4.26Å; I750-F797 HydrophobicContact CG1-CB 4.49Å; I750-F797 PolarHBondContact N-O 3.15Å; I750-F797 PolarHBondContact O-N 3.38Å; L765-F797 HydrophobicContact CD2-CB 3.72Å; V767-F797 HydrophobicContact CG2-CD1 4.05Å; V767-F797 HydrophobicContact CG2-CE1 4.39Å; L781-F797 HydrophobicContact CB-CE1 4.37Å; L781-F797 HydrophobicContact CB-CZ 4.36Å; L781-F797 HydrophobicContact CD1-CE1 3.88Å; L781-F797 HydrophobicContact CD1-CZ 4.13Å; T783-F797 HydrophobicContact CG2-CB 4.35Å; T783-F797 HydrophobicContact CG2-CD2 3.78Å; T783-F797 HydrophobicContact CG2-CE2 4.35Å; T783-F797 HydrophobicContact CG2-CG 4.2Å; V795-F797 WeakPolarHBondContact CG1-O 3.3Å; F797-F799 AromaticContact CD1-CD1 3.79Å; F797-F799 HydrophobicContact CD1-CD1 3.79Å; F797-F799 HydrophobicContact CD1-CE1 4.47Å; F797-F799 HydrophobicContact CE1-CB 4.24Å; F797-F799 AromaticContact CE1-CD1 3.7Å; F797-F799 HydrophobicContact CE1-CD1 3.7Å; F797-F799 HydrophobicContact CE1-CG 4.45Å
798	N	87.2	Confident	83.3	Confident	82 Å²	82	55.5 Å²	55.5	44%	0.439	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.7	170.7	170.7	-82.8	0	0	0	107.4	C748 D749	C748-N798 WeakPolarHBondContact O-CA 3.42Å; D749-N798 PolarHBondContact OD1-ND2 3.32Å
799	F	82.1	Confident	82.9	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	151	167.4	53.2	-96.2	0	0	0	110.9	S747 C748 I750 V767 F769 F797 L806 L812	S747-F799 CarbonylContact C-O 3.59Å; S747-F799 VanDerWaalsContact CA-O 3.22Å; S747-F799 WeakPolarHBondContact CA-O 3.43Å; S747-F799 WeakPolarHBondContact CB-O 3.38Å; C748-F799 HydrophobicContact CB-CD2 4.23Å; C748-F799 HydrophobicContact CB-CE1 4.13Å; C748-F799 HydrophobicContact CB-CE2 3.53Å; C748-F799 HydrophobicContact CB-CZ 3.49Å; C748-F799 VanDerWaalsContact CB-CZ 3.49Å; C748-F799 PolarHBondContact N-O 2.78Å; C748-F799 PolarHBondContact O-N 2.97Å; C748-F799 VanDerWaalsContact O-N 3.12Å; I750-F799 HydrophobicContact CD1-CE1 3.86Å; I750-F799 HydrophobicContact CD1-CZ 4.32Å; I750-F799 HydrophobicContact CG1-CE1 3.87Å; V767-F799 HydrophobicContact CG1-CE1 3.87Å; F769-F799 HydrophobicContact CE1-CD2 4.47Å; F769-F799 AromaticContact CE1-CE2 3.71Å; F769-F799 HydrophobicContact CE1-CE2 3.71Å; F769-F799 AromaticContact CE1-CZ 3.72Å; F769-F799 HydrophobicContact CE1-CZ 3.72Å; F769-F799 HydrophobicContact CZ-CD1 4.34Å; F769-F799 HydrophobicContact CZ-CD2 4.07Å; F769-F799 AromaticContact CZ-CE1 3.91Å; F769-F799 HydrophobicContact CZ-CE1 3.91Å; F769-F799 AromaticContact CZ-CE2 3.64Å; F769-F799 HydrophobicContact CZ-CE2 3.64Å; F769-F799 HydrophobicContact CZ-CG 4.4Å; F769-F799 AromaticContact CZ-CZ 3.53Å; F769-F799 HydrophobicContact CZ-CZ 3.53Å; F797-F799 AromaticContact CD1-CD1 3.79Å; F797-F799 HydrophobicContact CD1-CD1 3.79Å; F797-F799 HydrophobicContact CD1-CE1 4.47Å; F797-F799 HydrophobicContact CE1-CB 4.24Å; F797-F799 AromaticContact CE1-CD1 3.7Å; F797-F799 HydrophobicContact CE1-CD1 3.7Å; F797-F799 HydrophobicContact CE1-CG 4.45Å; F799-L806 HydrophobicContact CD2-CD1 4.43Å; F799-L806 HydrophobicContact CD2-CD2 3.99Å; F799-L806 HydrophobicContact CE2-CD1 3.88Å; F799-L806 HydrophobicContact CE2-CD2 3.55Å; F799-L806 HydrophobicContact CE2-CG 4.34Å; F799-L812 HydrophobicContact CZ-CD1 4.3Å; F799-L812 HydrophobicContact CZ-CD2 4.09Å
800	D	71.5	Confident	82.7	Confident	65 Å²	65	53.8 Å²	53.8	35%	0.348	28%	0.28	S	S	.	.			trans	-118.8	-176.7	174.5	74.3	3.1	0	0	0	111.4	T802 T803	D800-T802 PolarHBondContact O-N 2.75Å; D800-T802 VanDerWaalsContact O-N 3.09Å; D800-T802 WeakPolarHBondContact OD1-CA 3.27Å; D800-T802 VanDerWaalsContact OD1-CB 3.28Å; D800-T802 WeakPolarHBondContact OD1-CB 3.46Å; D800-T802 PolarHBondContact OD1-N 3.07Å; D800-T802 PolarHBondContact OD1-OG1 2.95Å; D800-T803 PolarHBondContact O-N 2.77Å; D800-T803 VanDerWaalsContact O-N 3.12Å
801	K	64.7	Low	82.5	Confident	97 Å²	97	51.7 Å²	51.7	42%	0.422	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.5	176.6	-73.3	177.5	170	162.6	0	114.8	N745 H746 T803	N745-K801 WeakPolarHBondContact O-CE 3.33Å; N745-K801 PolarHBondContact O-NZ 3.44Å; H746-K801 HydrophobicContact CB-CD 4.45Å; H746-K801 HydrophobicContact CB-CG 4.01Å; H746-K801 WeakPolarHBondContact CD2-CE 3.37Å; H746-K801 PolarHBondContact CD2-NZ 3.08Å; H746-K801 VanDerWaalsContact CD2-NZ 3.34Å; K801-T803 VanDerWaalsContact C-N 3.32Å
802	T	66.2	Low	82.3	Confident	120 Å²	120	49.7 Å²	49.7	74%	0.736	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-22.7	-179.2	74.8	0	0	0	0	112.2	D800	D800-T802 PolarHBondContact O-N 2.75Å; D800-T802 VanDerWaalsContact O-N 3.09Å; D800-T802 WeakPolarHBondContact OD1-CA 3.27Å; D800-T802 VanDerWaalsContact OD1-CB 3.28Å; D800-T802 WeakPolarHBondContact OD1-CB 3.46Å; D800-T802 PolarHBondContact OD1-N 3.07Å; D800-T802 PolarHBondContact OD1-OG1 2.95Å
803	T	71.4	Confident	82.2	Confident	62 Å²	62	50.3 Å²	50.3	38%	0.38	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-58.6	-178.8	-45.5	0	0	0	0	110.6	L781 D800 K801	L781-T803 HydrophobicContact CD1-CG2 3.54Å; L781-T803 HydrophobicContact CD2-CG2 3.73Å; L781-T803 HydrophobicContact CG-CG2 4.31Å; D800-T803 PolarHBondContact O-N 2.77Å; D800-T803 VanDerWaalsContact O-N 3.12Å; K801-T803 VanDerWaalsContact C-N 3.32Å
804	C	72.3	Confident	82.1	Confident	23 Å²	23	50.1 Å²	50.1	16%	0.155	26%	0.258	C	S	.	.			trans	-149.1	132.2	171.4	-74.8	0	0	0	0	109.3	C779 L806 F809	C779-C804 HydrophobicContact CB-CB 3.97Å; C779-C804 WeakPolarHBondContact CB-SG 3.46Å; C779-C804 WeakPolarHBondContact SG-CB 3.33Å; C779-C804 CovalentContact SG-SG 2.03Å; C779-C804 PolarHBondContact SG-SG 2.96Å; C804-L806 WeakPolarHBondContact O-CD2 3.39Å; C804-L806 PolarHBondContact O-N 3.31Å; C804-L806 VanDerWaalsContact O-N 3.13Å; C804-F809 HydrophobicContact CB-CE2 4.05Å; C804-F809 HydrophobicContact CB-CZ 4.37Å
805	D	73.8	Confident	82.1	Confident	39 Å²	39	48.7 Å²	48.7	21%	0.209	25%	0.251	C	S	.	.			trans	-77.2	102.8	-176.9	-178.1	3.8	0	0	0	111.5	R807 N808 F809	D805-R807 PolarHBondContact O-N 2.95Å; D805-R807 WeakPolarHBondContact OD1-CB 3.47Å; D805-R807 WeakPolarHBondContact OD1-CG 3.37Å; D805-R807 IonicContact OD1-CZ 3.99Å; D805-R807 PolarHBondContact OD1-N 3.48Å; D805-R807 IonicContact OD1-NE 3.73Å; D805-R807 PolarHBondContact OD1-NE 2.92Å; D805-R807 IonicContact OD1-NH2 3.81Å; D805-R807 IonicContact OD2-CZ 3.88Å; D805-R807 IonicContact OD2-NE 2.73Å; D805-R807 PolarHBondContact OD2-NE 2.94Å; D805-R807 IonicContact OD2-NH2 3.99Å; D805-R807 PolarHBondContact OD2-NH2 3.07Å; D805-N808 PolarHBondContact O-N 2.94Å; D805-F809 VanDerWaalsContact O-CD2 3.29Å; D805-F809 WeakPolarHBondContact O-CD2 3.34Å; D805-F809 VanDerWaalsContact O-CE2 3.3Å; D805-F809 WeakPolarHBondContact O-CE2 3.21Å
806	L	72.2	Confident	82.1	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.042	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-56.3	-22.7	-173	-49.5	-170.8	0	0	0	114.2	H746 C748 F769 F799 C804 N808 F809 F829	H746-L806 HydrophobicContact CB-CB 4.4Å; H746-L806 HydrophobicContact CB-CD1 4.07Å; H746-L806 HydrophobicContact CB-CG 4.35Å; H746-L806 WeakPolarHBondContact O-CD1 3.38Å; C748-L806 VanDerWaalsContact SG-CD1 3.51Å; F769-L806 HydrophobicContact CD1-CD2 4.12Å; F769-L806 HydrophobicContact CE1-CD2 3.49Å; F769-L806 VanDerWaalsContact CE1-CD2 3.49Å; F769-L806 HydrophobicContact CZ-CD2 4.23Å; F799-L806 HydrophobicContact CD2-CD1 4.43Å; F799-L806 HydrophobicContact CD2-CD2 3.99Å; F799-L806 HydrophobicContact CE2-CD1 3.88Å; F799-L806 HydrophobicContact CE2-CD2 3.55Å; F799-L806 HydrophobicContact CE2-CG 4.34Å; C804-L806 WeakPolarHBondContact O-CD2 3.39Å; C804-L806 PolarHBondContact O-N 3.31Å; C804-L806 VanDerWaalsContact O-N 3.13Å; L806-N808 PolarHBondContact O-N 2.84Å; L806-F809 PolarHBondContact O-N 2.72Å; L806-F829 HydrophobicContact CD1-CE1 4.41Å; L806-F829 HydrophobicContact CD1-CZ 4.3Å; L806-F829 HydrophobicContact CD2-CZ 4.39Å
807	R	72.2	Confident	82.1	Confident	162 Å²	162	48.7 Å²	48.7	61%	0.611	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-66.4	-14.8	178.2	-60.6	175.4	-64.2	165.1	6.1	113.5	H746 D805	H746-R807 VanDerWaalsContact CE1-CG 3.41Å; H746-R807 WeakPolarHBondContact CE1-CG 3.23Å; D805-R807 PolarHBondContact O-N 2.95Å; D805-R807 WeakPolarHBondContact OD1-CB 3.47Å; D805-R807 WeakPolarHBondContact OD1-CG 3.37Å; D805-R807 IonicContact OD1-CZ 3.99Å; D805-R807 PolarHBondContact OD1-N 3.48Å; D805-R807 IonicContact OD1-NE 3.73Å; D805-R807 PolarHBondContact OD1-NE 2.92Å; D805-R807 IonicContact OD1-NH2 3.81Å; D805-R807 IonicContact OD2-CZ 3.88Å; D805-R807 IonicContact OD2-NE 2.73Å; D805-R807 PolarHBondContact OD2-NE 2.94Å; D805-R807 IonicContact OD2-NH2 3.99Å; D805-R807 PolarHBondContact OD2-NH2 3.07Å
808	N	79.1	Confident	81.8	Confident	91 Å²	91	47.3 Å²	47.3	49%	0.487	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-97.6	1.8	-179.4	-60.1	-46.1	0	0	0	113.6	K771 D805 L806	K771-N808 WeakPolarHBondContact CE-O 3.32Å; D805-N808 PolarHBondContact O-N 2.94Å; L806-N808 PolarHBondContact O-N 2.84Å
809	F	83.4	Confident	81.4	Confident	19 Å²	19	47.7 Å²	47.7	8%	0.083	25%	0.246	C	C	.	.			trans	-126.6	145.6	-174.4	-54.4	-83.8	0	0	0	111.1	F769 E778 C779 C804 D805 L806 F829	F769-F809 HydrophobicContact CB-CB 4.09Å; F769-F809 HydrophobicContact CB-CD1 3.38Å; F769-F809 HydrophobicContact CB-CD2 4.06Å; F769-F809 HydrophobicContact CB-CE1 3.67Å; F769-F809 HydrophobicContact CB-CE2 4.33Å; F769-F809 HydrophobicContact CB-CG 3.58Å; F769-F809 HydrophobicContact CB-CZ 4.15Å; F769-F809 HydrophobicContact CD1-CD2 4.31Å; F769-F809 HydrophobicContact CD1-CG 4.4Å; F769-F809 HydrophobicContact CG-CD2 4.44Å; F769-F809 HydrophobicContact CG-CG 4.37Å; E778-F809 HydrophobicContact CB-CE1 3.76Å; C779-F809 HydrophobicContact CB-CE1 3.96Å; C779-F809 HydrophobicContact CB-CZ 3.66Å; C804-F809 HydrophobicContact CB-CE2 4.05Å; C804-F809 HydrophobicContact CB-CZ 4.37Å; D805-F809 VanDerWaalsContact O-CD2 3.29Å; D805-F809 WeakPolarHBondContact O-CD2 3.34Å; D805-F809 VanDerWaalsContact O-CE2 3.3Å; D805-F809 WeakPolarHBondContact O-CE2 3.21Å; L806-F809 PolarHBondContact O-N 2.72Å; F809-F829 HydrophobicContact CB-CD2 4.37Å; F809-F829 WeakPolarHBondContact O-CB 3.39Å
810	D	87.8	Confident	81.4	Confident	41 Å²	41	52.9 Å²	52.9	22%	0.219	27%	0.27	C	S	.	.	S	Bend	trans	-94.6	-34.1	-179.9	-64.4	-65.5	0	0	0	112	L770 K771 W772 F829 S830	L770-D810 PolarHBondContact O-N 3.27Å; K771-D810 VanDerWaalsContact CA-OD2 3.22Å; K771-D810 WeakPolarHBondContact CA-OD2 3.4Å; K771-D810 WeakPolarHBondContact CB-OD2 3.35Å; W772-D810 HydrophobicContact CG-CB 4.06Å; W772-D810 PolarHBondContact N-OD2 2.83Å; D810-F829 PolarHBondContact O-N 3.31Å; D810-S830 PolarHBondContact O-N 3.44Å; D810-S830 WeakPolarHBondContact OD1-CB 3.4Å
811	I	91.7	Very high	82	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.4	-168.5	-44.3	177.4	0	0	0	110.5	F769 L770 W772 V826 L828 P866 I887 L889	F769-I811 WeakPolarHBondContact CA-O 3.35Å; L770-I811 HydrophobicContact CB-CB 4.32Å; L770-I811 PolarHBondContact N-O 3.46Å; L770-I811 PolarHBondContact O-N 3.28Å; L770-I811 VanDerWaalsContact O-N 3.08Å; W772-I811 HydrophobicContact CD2-CD1 4.02Å; W772-I811 HydrophobicContact CD2-CG1 4.42Å; W772-I811 HydrophobicContact CE3-CD1 3.87Å; W772-I811 HydrophobicContact CH2-CD1 3.67Å; W772-I811 HydrophobicContact CH2-CG1 4.29Å; W772-I811 HydrophobicContact CZ2-CD1 3.85Å; W772-I811 HydrophobicContact CZ2-CG1 3.99Å; W772-I811 HydrophobicContact CZ3-CD1 3.68Å; I811-V826 HydrophobicContact CG2-CG1 3.49Å; I811-V826 VanDerWaalsContact CG2-CG1 3.49Å; I811-L828 HydrophobicContact CB-CD2 4.33Å; I811-L828 HydrophobicContact CG1-CD2 3.9Å; I811-L828 HydrophobicContact CG2-CD2 4.19Å; I811-P866 HydrophobicContact CD1-CB 4.39Å; I811-I887 HydrophobicContact CD1-CG2 4.45Å; I811-L889 HydrophobicContact CD1-CD2 3.83Å; I811-L889 HydrophobicContact CG2-CD1 4.29Å; I811-L889 HydrophobicContact CG2-CD2 4.24Å
812	L	91.6	Very high	83.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.8	166.4	176.2	62.1	0	0	0	109.4	A740 I750 V767 F769 F799 L814 V826 H827 F829	A740-L812 HydrophobicContact CB-CD2 3.87Å; I750-L812 HydrophobicContact CD1-CD2 4.19Å; V767-L812 HydrophobicContact CG1-CD1 3.56Å; F769-L812 HydrophobicContact CD1-CD1 3.89Å; F769-L812 HydrophobicContact CE1-CD1 3.59Å; F769-L812 HydrophobicContact CE2-CD1 4.45Å; F769-L812 HydrophobicContact CG-CD1 4.43Å; F769-L812 HydrophobicContact CZ-CD1 3.91Å; F799-L812 HydrophobicContact CZ-CD1 4.3Å; F799-L812 HydrophobicContact CZ-CD2 4.09Å; L812-L814 HydrophobicContact CD1-CD2 3.98Å; L812-L814 HydrophobicContact CD2-CD2 4.21Å; L812-L814 HydrophobicContact CG-CD2 3.94Å; L812-L814 HydrophobicContact CG-CG 4.24Å; L812-V826 WeakPolarHBondContact O-CA 3.46Å; L812-H827 HydrophobicContact CB-CB 4.17Å; L812-H827 HydrophobicContact CD2-CB 4.26Å; L812-H827 PolarHBondContact N-O 3.44Å; L812-H827 PolarHBondContact O-N 3.06Å; L812-F829 HydrophobicContact CB-CE2 3.73Å; L812-F829 HydrophobicContact CB-CZ 3.85Å; L812-F829 HydrophobicContact CD2-CZ 4.01Å; L812-F829 HydrophobicContact CG-CZ 4.45Å
813	S	93.7	Very high	84.5	Confident	19 Å²	19	46.8 Å²	46.8	13%	0.133	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.2	172.4	-174.3	0	0	0	0	110.1	Q768	Q768-S813 PolarHBondContact N-O 3.06Å; Q768-S813 PolarHBondContact O-N 3.45Å
814	L	94.5	Very high	85.5	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.7	179.3	-56.2	176.1	0	0	0	109.1	L738 A740 I750 V767 L812 T824 N825	L738-L814 HydrophobicContact CB-CB 4.23Å; L738-L814 HydrophobicContact CB-CD1 4.14Å; L738-L814 HydrophobicContact CD1-CB 3.63Å; A740-L814 HydrophobicContact CB-CD1 4.28Å; I750-L814 HydrophobicContact CD1-CD1 4.07Å; I750-L814 HydrophobicContact CD1-CD2 3.83Å; I750-L814 HydrophobicContact CG1-CD2 4.26Å; I750-L814 HydrophobicContact CG2-CD1 4.14Å; I750-L814 HydrophobicContact CG2-CD2 4.33Å; V767-L814 HydrophobicContact CB-CD2 4.34Å; V767-L814 HydrophobicContact CG1-CD2 3.89Å; V767-L814 HydrophobicContact CG2-CD2 4.02Å; L812-L814 HydrophobicContact CD1-CD2 3.98Å; L812-L814 HydrophobicContact CD2-CD2 4.21Å; L812-L814 HydrophobicContact CG-CD2 3.94Å; L812-L814 HydrophobicContact CG-CG 4.24Å; L814-T824 CarbonylContact O-C 3.54Å; L814-T824 WeakPolarHBondContact O-CA 3.46Å; L814-N825 PolarHBondContact N-O 3.1Å; L814-N825 PolarHBondContact O-N 3.38Å
815	H	94.4	Very high	86.6	Confident	61 Å²	61	48.1 Å²	48.1	28%	0.282	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	122.7	173.3	175.3	43.9	0	0	0	110.8	T766 A823 T824	T766-H815 PolarHBondContact N-O 2.82Å; T766-H815 PolarHBondContact O-N 3.46Å; H815-A823 WeakPolarHBondContact CA-O 3.35Å; H815-A823 PolarHBondContact ND1-O 2.94Å; H815-T824 HydrophobicContact CB-CG2 4.13Å
816	L	92.6	Very high	87.5	Confident	1 Å²	1	48 Å²	48	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.7	173.6	-179.3	164.4	0	0	0	107.4	L736 L738 A752 I763 R764 L765 D822 A823	L736-L816 HydrophobicContact CD2-CD2 3.82Å; L738-L816 HydrophobicContact CD1-CB 3.69Å; L738-L816 HydrophobicContact CD2-CB 4Å; L738-L816 HydrophobicContact CD2-CD1 3.79Å; L738-L816 HydrophobicContact CG-CB 4.08Å; A752-L816 HydrophobicContact CB-CD1 4.4Å; I763-L816 HydrophobicContact CG1-CD2 4.47Å; I763-L816 HydrophobicContact CG2-CD1 3.83Å; I763-L816 HydrophobicContact CG2-CD2 3.79Å; I763-L816 HydrophobicContact CG2-CG 3.5Å; I763-L816 VanDerWaalsContact CG2-CG 3.5Å; R764-L816 WeakPolarHBondContact O-CA 3.43Å; L765-L816 HydrophobicContact CD1-CB 4.34Å; L816-D822 CarbonylContact O-C 3.6Å; L816-D822 VanDerWaalsContact O-CA 3.27Å; L816-D822 WeakPolarHBondContact O-CA 3.24Å; L816-A823 HydrophobicContact CB-CB 4.43Å; L816-A823 PolarHBondContact N-O 2.86Å; L816-A823 PolarHBondContact O-N 3.4Å
817	Q	91.9	Very high	88.4	Confident	86 Å²	86	49.9 Å²	49.9	40%	0.402	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.8	171.9	-172.9	173.5	44.2	0	0	110.1	I763 R764 D822	I763-Q817 WeakPolarHBondContact CA-O 3.27Å; R764-Q817 PolarHBondContact N-O 2.82Å; R764-Q817 PolarHBondContact O-N 2.89Å; Q817-D822 VanDerWaalsContact CA-OD1 3.25Å; Q817-D822 WeakPolarHBondContact CA-OD1 3.49Å
818	G	83.9	Confident	89.2	Confident	16 Å²	16	44.2 Å²	44.2	17%	0.165	24%	0.237	C	C	.	.			trans	-143.3	174.4	179.5	0	0	0	0	0	113.4	E820 N821 D822	G818-E820 VanDerWaalsContact C-N 3.3Å; G818-E820 PolarHBondContact O-N 3.43Å; G818-N821 PolarHBondContact N-O 3.3Å; G818-D822 PolarHBondContact N-OD1 3.34Å
819	D	78.5	Confident	89.4	Confident	89 Å²	89	42.6 Å²	42.6	48%	0.476	23%	0.225	S	C	.	.	S	Bend	trans	-55.8	-38.5	-174.7	-70.6	-34.9	0	0	0	114.4	K761 N762	K761-D819 WeakPolarHBondContact CB-OD2 3.07Å; N762-D819 WeakPolarHBondContact CB-OD1 3.35Å; N762-D819 VanDerWaalsContact ND2-CG 3.3Å; N762-D819 PolarHBondContact ND2-OD1 2.78Å; N762-D819 PolarHBondContact ND2-OD2 3.1Å
820	E	81.2	Confident	89	Confident	111 Å²	111	42.5 Å²	42.5	52%	0.519	23%	0.227	S	C	.	.	S	Bend	trans	-136.3	-6.7	-176.2	-66.7	-177.8	162.7	0	0	113.1	G818	G818-E820 VanDerWaalsContact C-N 3.3Å; G818-E820 PolarHBondContact O-N 3.43Å
821	N	85.4	Confident	88.8	Confident	54 Å²	54	43 Å²	43	29%	0.289	23%	0.23	S	C	.	.			trans	-145.5	115.8	-168.8	-69.1	-100.2	0	0	0	110.4	L736 L756 V760 G818	L736-N821 HydrophobicContact CD2-CB 4.1Å; L756-N821 HydrophobicContact CD1-CB 4.32Å; V760-N821 HydrophobicContact CG1-CB 4.47Å; V760-N821 HydrophobicContact CG2-CB 4.31Å; G818-N821 PolarHBondContact N-O 3.3Å
822	D	89.9	Confident	88.7	Confident	91 Å²	91	43.1 Å²	43.1	49%	0.487	23%	0.231	S	C	.	.			trans	-104	154.7	173.2	-70	-3.1	0	0	0	110.3	L816 Q817 G818	L816-D822 CarbonylContact O-C 3.6Å; L816-D822 VanDerWaalsContact O-CA 3.27Å; L816-D822 WeakPolarHBondContact O-CA 3.24Å; Q817-D822 VanDerWaalsContact CA-OD1 3.25Å; Q817-D822 WeakPolarHBondContact CA-OD1 3.49Å; G818-D822 PolarHBondContact N-OD1 3.34Å
823	A	92.3	Very high	88.4	Confident	8 Å²	8	48 Å²	48	7%	0.066	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.8	172.8	0	0	0	0	0	111.2	L736 L738 H815 L816	L736-A823 HydrophobicContact CB-CB 4.37Å; L736-A823 HydrophobicContact CD2-CB 4.08Å; L736-A823 HydrophobicContact CG-CB 3.95Å; L738-A823 HydrophobicContact CG-CB 4.31Å; H815-A823 WeakPolarHBondContact CA-O 3.35Å; H815-A823 PolarHBondContact ND1-O 2.94Å; L816-A823 HydrophobicContact CB-CB 4.43Å; L816-A823 PolarHBondContact N-O 2.86Å; L816-A823 PolarHBondContact O-N 3.4Å
824	T	93.4	Very high	88	Confident	100 Å²	100	52.8 Å²	52.8	61%	0.613	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.2	172.7	53	0	0	0	0	110.9	L814 H815	L814-T824 CarbonylContact O-C 3.54Å; L814-T824 WeakPolarHBondContact O-CA 3.46Å; H815-T824 HydrophobicContact CB-CG2 4.13Å
825	N	94.7	Very high	87.7	Confident	14 Å²	14	53.3 Å²	53.3	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	159.3	165.9	-160.1	-5	0	0	0	110.2	K675 E679 L738 L814	K675-N825 WeakPolarHBondContact CE-OD1 3.36Å; K675-N825 PolarHBondContact NZ-ND2 2.77Å; K675-N825 PolarHBondContact NZ-OD1 2.79Å; E679-N825 VanDerWaalsContact CD-ND2 3.25Å; E679-N825 PolarHBondContact OE1-ND2 2.97Å; E679-N825 PolarHBondContact OE2-ND2 2.86Å; L738-N825 HydrophobicContact CB-CB 4.24Å; L738-N825 WeakPolarHBondContact O-CB 3.41Å; L738-N825 PolarHBondContact O-ND2 3.13Å; L814-N825 PolarHBondContact N-O 3.1Å; L814-N825 PolarHBondContact O-N 3.38Å
826	V	93.3	Very high	87.3	Confident	35 Å²	35	52.1 Å²	52.1	21%	0.212	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.4	173.5	-175.7	0	0	0	0	109	K675 I811 L812 I887 L889	K675-V826 WeakPolarHBondContact CE-O 3.26Å; K675-V826 PolarHBondContact NZ-O 2.95Å; I811-V826 HydrophobicContact CG2-CG1 3.49Å; I811-V826 VanDerWaalsContact CG2-CG1 3.49Å; L812-V826 WeakPolarHBondContact O-CA 3.46Å; V826-I887 HydrophobicContact CG1-CD1 3.87Å; V826-L889 HydrophobicContact CG1-CD1 4.41Å; V826-L889 HydrophobicContact CG2-CD1 3.78Å
827	H	90.4	Very high	86.9	Confident	49 Å²	49	52.4 Å²	52.4	23%	0.227	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.1	172.1	178.4	101.9	0	0	0	108.4	A740 L812 F829	A740-H827 HydrophobicContact CB-CB 4.15Å; L812-H827 HydrophobicContact CB-CB 4.17Å; L812-H827 HydrophobicContact CD2-CB 4.26Å; L812-H827 PolarHBondContact N-O 3.44Å; L812-H827 PolarHBondContact O-N 3.06Å; H827-F829 AromaticContact CD2-CD1 3.84Å; H827-F829 AromaticContact CD2-CE1 3.62Å; H827-F829 AromaticContact NE2-CD1 3.92Å; H827-F829 AromaticContact NE2-CE1 3.79Å
828	L	89.4	Confident	86.8	Confident	43 Å²	43	55.7 Å²	55.7	23%	0.225	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.5	-177.9	-72.7	-179.3	0	0	0	110.6	W772 I811 L832 F869 I887	W772-L828 HydrophobicContact CH2-CD2 4.42Å; W772-L828 HydrophobicContact CZ2-CD2 3.73Å; I811-L828 HydrophobicContact CB-CD2 4.33Å; I811-L828 HydrophobicContact CG1-CD2 3.9Å; I811-L828 HydrophobicContact CG2-CD2 4.19Å; L828-L832 HydrophobicContact CD1-CD1 4.14Å; L828-L832 HydrophobicContact CD1-CD2 4.25Å; L828-L832 HydrophobicContact CD1-CG 4.45Å; L828-F869 HydrophobicContact CD1-CE2 4.22Å; L828-F869 HydrophobicContact CD1-CZ 3.72Å; L828-I887 HydrophobicContact CD1-CD1 4.01Å; L828-I887 HydrophobicContact CD2-CD1 3.97Å; L828-I887 HydrophobicContact CG-CD1 4.05Å
829	F	82.9	Confident	87.1	Confident	56 Å²	56	60.4 Å²	60.4	25%	0.246	31%	0.309	C	S	.	.			trans	-98.5	-26.6	170	-57.4	-55.3	0	0	0	111.9	F769 L806 F809 D810 L812 H827	F769-F829 HydrophobicContact CD1-CE2 4.09Å; F769-F829 HydrophobicContact CE1-CE2 4.35Å; F769-F829 HydrophobicContact CE1-CZ 4.49Å; L806-F829 HydrophobicContact CD1-CE1 4.41Å; L806-F829 HydrophobicContact CD1-CZ 4.3Å; L806-F829 HydrophobicContact CD2-CZ 4.39Å; F809-F829 HydrophobicContact CB-CD2 4.37Å; F809-F829 WeakPolarHBondContact O-CB 3.39Å; D810-F829 PolarHBondContact O-N 3.31Å; L812-F829 HydrophobicContact CB-CE2 3.73Å; L812-F829 HydrophobicContact CB-CZ 3.85Å; L812-F829 HydrophobicContact CD2-CZ 4.01Å; L812-F829 HydrophobicContact CG-CZ 4.45Å; H827-F829 AromaticContact CD2-CD1 3.84Å; H827-F829 AromaticContact CD2-CE1 3.62Å; H827-F829 AromaticContact NE2-CD1 3.92Å; H827-F829 AromaticContact NE2-CE1 3.79Å
830	S	75.7	Confident	87.7	Confident	18 Å²	18	56.2 Å²	56.2	13%	0.126	29%	0.286	C	S	.	.	S	Bend	trans	-74.3	125.4	-177	65.3	0	0	0	0	112.5	W772 D810 L832	W772-S830 PolarHBondContact NE1-OG 3.19Å; D810-S830 PolarHBondContact O-N 3.44Å; D810-S830 WeakPolarHBondContact OD1-CB 3.4Å; S830-L832 PolarHBondContact O-N 3.36Å; S830-L832 VanDerWaalsContact O-N 3.11Å
831	D	83.4	Confident	88.2	Confident	51 Å²	51	51 Å²	51	27%	0.273	26%	0.262	S	S	.	.			trans	-63.6	109.2	159.9	178.6	-9.1	0	0	0	108.8	R833 N834	D831-R833 PolarHBondContact O-N 3.09Å; D831-R833 VanDerWaalsContact O-N 3.08Å; D831-R833 WeakPolarHBondContact OD1-CB 3.42Å; D831-R833 VanDerWaalsContact OD1-CG 3.3Å; D831-R833 WeakPolarHBondContact OD1-CG 3.25Å; D831-R833 IonicContact OD1-CZ 3.02Å; D831-R833 PolarHBondContact OD1-N 2.89Å; D831-R833 IonicContact OD1-NE 2.86Å; D831-R833 PolarHBondContact OD1-NE 2.79Å; D831-R833 IonicContact OD1-NH2 3.69Å; D831-R833 IonicContact OD2-CZ 2.68Å; D831-R833 IonicContact OD2-NE 2.83Å; D831-R833 PolarHBondContact OD2-NE 3.47Å; D831-R833 VanDerWaalsContact OD2-NE 3.14Å; D831-R833 IonicContact OD2-NH2 3.44Å; D831-R833 PolarHBondContact OD2-NH2 3.12Å; D831-N834 PolarHBondContact O-N 2.88Å; D831-N834 PolarHBondContact OD2-ND2 2.65Å; D831-N834 VanDerWaalsContact OD2-ND2 3.1Å
832	L	89.4	Confident	88.5	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.7	-175.9	-63	167.9	0	0	0	112.6	W575 H637 F638 W772 L828 S830 N834 L840 F869 L917 Y921	W575-L832 HydrophobicContact CH2-CD1 4.43Å; H637-L832 WeakPolarHBondContact O-CB 3.29Å; F638-L832 HydrophobicContact CD1-CD1 4.39Å; F638-L832 HydrophobicContact CE1-CD1 3.84Å; W772-L832 HydrophobicContact CZ2-CD2 4.14Å; L828-L832 HydrophobicContact CD1-CD1 4.14Å; L828-L832 HydrophobicContact CD1-CD2 4.25Å; L828-L832 HydrophobicContact CD1-CG 4.45Å; S830-L832 PolarHBondContact O-N 3.36Å; S830-L832 VanDerWaalsContact O-N 3.11Å; L832-N834 VanDerWaalsContact C-N 3.25Å; L832-L840 HydrophobicContact CD2-CD2 3.98Å; L832-F869 HydrophobicContact CD1-CE2 3.65Å; L832-F869 HydrophobicContact CD1-CZ 4.2Å; L832-L917 HydrophobicContact CB-CD2 4.33Å; L832-L917 HydrophobicContact CD1-CD2 4.07Å; L832-L917 HydrophobicContact CD2-CD2 4.25Å; L832-L917 HydrophobicContact CG-CD2 4.46Å; L832-Y921 VanDerWaalsContact O-CE2 3.23Å; L832-Y921 WeakPolarHBondContact O-CE2 3.46Å; L832-Y921 PolarHBondContact O-OH 3.49Å
833	R	86.6	Confident	88.7	Confident	102 Å²	102	48.2 Å²	48.2	39%	0.385	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.9	170.5	-55.5	173.9	-63.6	179.5	2.6	112.7	K635 A636 H637 R639 D831	K635-R833 WeakPolarHBondContact O-CD 3.29Å; A636-R833 WeakPolarHBondContact O-CD 3.49Å; A636-R833 PolarHBondContact O-NE 3.17Å; A636-R833 VanDerWaalsContact O-NE 3.14Å; A636-R833 PolarHBondContact O-NH1 3.23Å; H637-R833 WeakPolarHBondContact O-CG 3.42Å; R639-R833 PolarHBondContact NE-O 2.88Å; R639-R833 PolarHBondContact NH2-O 3.2Å; D831-R833 PolarHBondContact O-N 3.09Å; D831-R833 VanDerWaalsContact O-N 3.08Å; D831-R833 WeakPolarHBondContact OD1-CB 3.42Å; D831-R833 VanDerWaalsContact OD1-CG 3.3Å; D831-R833 WeakPolarHBondContact OD1-CG 3.25Å; D831-R833 IonicContact OD1-CZ 3.02Å; D831-R833 PolarHBondContact OD1-N 2.89Å; D831-R833 IonicContact OD1-NE 2.86Å; D831-R833 PolarHBondContact OD1-NE 2.79Å; D831-R833 IonicContact OD1-NH2 3.69Å; D831-R833 IonicContact OD2-CZ 2.68Å; D831-R833 IonicContact OD2-NE 2.83Å; D831-R833 PolarHBondContact OD2-NE 3.47Å; D831-R833 VanDerWaalsContact OD2-NE 3.14Å; D831-R833 IonicContact OD2-NH2 3.44Å; D831-R833 PolarHBondContact OD2-NH2 3.12Å
834	N	85.3	Confident	88.7	Confident	119 Å²	119	53.4 Å²	53.4	64%	0.636	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-18	-176.5	-62.2	-38.9	0	0	0	113.1	R639 D831 L832	R639-N834 PolarHBondContact NH2-O 2.71Å; D831-N834 PolarHBondContact O-N 2.88Å; D831-N834 PolarHBondContact OD2-ND2 2.65Å; D831-N834 VanDerWaalsContact OD2-ND2 3.1Å; L832-N834 VanDerWaalsContact C-N 3.25Å
835	V	86.8	Confident	88.6	Confident	13 Å²	13	50.9 Å²	50.9	8%	0.079	26%	0.257	C	S	.	.	S	Bend	trans	-76.3	139.1	176.2	-163.9	0	0	0	0	111	R639 W772 K839 L840	R639-V835 VanDerWaalsContact CZ-O 3.23Å; R639-V835 PolarHBondContact NH1-O 2.81Å; R639-V835 PolarHBondContact NH2-O 3.11Å; W772-V835 HydrophobicContact CB-CG1 4.14Å; W772-V835 HydrophobicContact CG-CG1 3.96Å; V835-K839 HydrophobicContact CG1-CB 3.78Å; V835-L840 HydrophobicContact CB-CD1 4.46Å; V835-L840 HydrophobicContact CB-CD2 3.98Å; V835-L840 HydrophobicContact CB-CG 4.13Å; V835-L840 HydrophobicContact CG1-CD2 3.7Å; V835-L840 HydrophobicContact CG1-CG 3.74Å; V835-L840 HydrophobicContact CG2-CD2 4.46Å
836	S	86.4	Confident	88.6	Confident	35 Å²	35	51.2 Å²	51.2	25%	0.245	26%	0.259	C	S	.	.			trans	-76.9	149.8	171.6	58.2	0	0	0	0	111.3	E838 K839 L840	S836-E838 VanDerWaalsContact C-N 3.28Å; S836-E838 PolarHBondContact O-N 3.24Å; S836-K839 PolarHBondContact O-N 3.44Å; S836-L840 PolarHBondContact O-N 2.82Å
837	A	85.3	Confident	88.5	Confident	8 Å²	8	54.3 Å²	54.3	7%	0.066	27%	0.271	C	S	.	.	H	α-helix	trans	-56.2	-44	178.7	0	0	0	0	0	111.9	K839 L840 G841 S918 N922	A837-K839 PolarHBondContact O-N 3.29Å; A837-K839 VanDerWaalsContact O-N 3.09Å; A837-L840 WeakPolarHBondContact O-CB 3.48Å; A837-L840 PolarHBondContact O-N 3.43Å; A837-G841 PolarHBondContact O-N 3.02Å; A837-S918 WeakPolarHBondContact O-CB 3.22Å; A837-S918 PolarHBondContact O-OG 3.46Å; A837-N922 WeakPolarHBondContact CB-ND2 3.39Å; A837-N922 WeakPolarHBondContact CB-OD1 3.4Å
838	E	88.4	Confident	88.7	Confident	155 Å²	155	52.3 Å²	52.3	72%	0.724	26%	0.262	S	S	*	.	H	α-helix	trans	-48	-35.7	173.1	-60.5	161.6	168.9	0	0	114	S836 Q865	S836-E838 VanDerWaalsContact C-N 3.28Å; S836-E838 PolarHBondContact O-N 3.24Å; E838-Q865 PolarHBondContact O-NE2 2.72Å
839	K	91.2	Very high	88.8	Confident	115 Å²	115	54.4 Å²	54.4	50%	0.5	27%	0.274	S	S	.	.	H	α-helix	trans	-84.7	-26.8	179.2	-78.7	-173.6	173.5	-168.9	0	113.3	W772 G773 V835 S836 A837 G841	W772-K839 HydrophobicContact CB-CB 3.96Å; W772-K839 WeakPolarHBondContact CB-O 3.44Å; G773-K839 PolarHBondContact N-O 2.87Å; V835-K839 HydrophobicContact CG1-CB 3.78Å; S836-K839 PolarHBondContact O-N 3.44Å; A837-K839 PolarHBondContact O-N 3.29Å; A837-K839 VanDerWaalsContact O-N 3.09Å; K839-G841 PolarHBondContact O-N 3.24Å
840	L	91.3	Very high	89.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-74.5	-8.2	-180	-68.9	171.9	0	0	0	113.3	W772 L832 V835 S836 A837 P866 V867 A868 L917 Y921	W772-L840 HydrophobicContact CD2-CD2 3.96Å; W772-L840 HydrophobicContact CE3-CD2 4.25Å; W772-L840 HydrophobicContact CG-CD2 4.41Å; W772-L840 HydrophobicContact CH2-CD2 4.49Å; W772-L840 HydrophobicContact CZ2-CD2 4.18Å; L832-L840 HydrophobicContact CD2-CD2 3.98Å; V835-L840 HydrophobicContact CB-CD1 4.46Å; V835-L840 HydrophobicContact CB-CD2 3.98Å; V835-L840 HydrophobicContact CB-CG 4.13Å; V835-L840 HydrophobicContact CG1-CD2 3.7Å; V835-L840 HydrophobicContact CG1-CG 3.74Å; V835-L840 HydrophobicContact CG2-CD2 4.46Å; S836-L840 PolarHBondContact O-N 2.82Å; A837-L840 WeakPolarHBondContact O-CB 3.48Å; A837-L840 PolarHBondContact O-N 3.43Å; L840-P866 CarbonylContact C-O 3.56Å; L840-V867 CarbonylContact O-C 3.59Å; L840-V867 WeakPolarHBondContact O-CA 3.44Å; L840-A868 HydrophobicContact CB-CB 4.03Å; L840-A868 HydrophobicContact CD2-CB 3.78Å; L840-A868 HydrophobicContact CG-CB 4.43Å; L840-A868 PolarHBondContact O-N 3.01Å; L840-L917 HydrophobicContact CD1-CD2 3.98Å; L840-L917 HydrophobicContact CD1-CG 4.07Å; L840-Y921 HydrophobicContact CD1-CD2 3.61Å; L840-Y921 HydrophobicContact CD1-CE2 3.54Å
841	G	91	Very high	89.4	Confident	2 Å²	2	56 Å²	56	2%	0.021	29%	0.29	C	S	.	.			trans	76	156.4	173	0	0	0	0	0	115	A837 K839 S918	A837-G841 PolarHBondContact O-N 3.02Å; K839-G841 PolarHBondContact O-N 3.24Å; G841-S918 WeakPolarHBondContact O-CB 3.5Å
842	N	91.5	Very high	89.2	Confident	58 Å²	58	60.4 Å²	60.4	31%	0.31	31%	0.309	S	S	.	.			trans	-129.7	160.5	172.4	-96.5	46.2	0	0	0	109.2	A863 V867 T916 S918 D919	N842-A863 WeakPolarHBondContact O-CB 3.44Å; N842-V867 WeakPolarHBondContact O-CG2 3.36Å; N842-T916 PolarHBondContact OD1-OG1 2.87Å; N842-S918 WeakPolarHBondContact OD1-CB 3.47Å; N842-S918 PolarHBondContact OD1-OG 3.41Å; N842-D919 PolarHBondContact ND2-OD1 3.03Å
843	I	94.1	Very high	89	Confident	29 Å²	29	61.8 Å²	61.8	15%	0.149	32%	0.315	C	S	.	.			trans	-80.7	127.6	168.5	-60.4	-58.6	0	0	0	109.1	S845 V846 L861 V867 V870 M888 V914 T916	I843-S845 WeakPolarHBondContact CG2-O 3.11Å; I843-V846 HydrophobicContact CG2-CG2 3.71Å; I843-L861 HydrophobicContact CD1-CB 4.25Å; I843-L861 HydrophobicContact CD1-CD1 4.42Å; I843-L861 HydrophobicContact CG2-CB 4.36Å; I843-L861 HydrophobicContact CG2-CD2 4.44Å; I843-V867 HydrophobicContact CD1-CB 4.4Å; I843-V867 HydrophobicContact CD1-CG1 4.28Å; I843-V867 HydrophobicContact CD1-CG2 4.16Å; I843-V870 HydrophobicContact CD1-CG1 4.12Å; I843-V870 HydrophobicContact CD1-CG2 3.9Å; I843-V870 HydrophobicContact CG1-CG1 4.04Å; I843-V870 HydrophobicContact CG1-CG2 4.35Å; I843-M888 HydrophobicContact CD1-CE 4.48Å; I843-M888 HydrophobicContact CD1-SD 3.57Å; I843-M888 VanDerWaalsContact CD1-SD 3.57Å; I843-V914 HydrophobicContact CB-CG1 4.19Å; I843-V914 HydrophobicContact CG1-CG1 3.89Å; I843-T916 HydrophobicContact CG1-CG2 4.38Å
844	E	92.6	Very high	88.8	Confident	117 Å²	117	61.7 Å²	61.7	55%	0.547	32%	0.319	S	S	.	.			trans	-92.4	-30.1	-176.6	-69.7	160.4	-170.9	0	0	112.5	S862 A863 S864	E844-S862 PolarHBondContact N-O 3.01Å; E844-A863 WeakPolarHBondContact OE2-CA 3.35Å; E844-S864 WeakPolarHBondContact OE1-CB 2.84Å; E844-S864 PolarHBondContact OE1-N 3.08Å; E844-S864 PolarHBondContact OE1-OG 3.1Å; E844-S864 PolarHBondContact OE2-N 3.28Å; E844-S864 VanDerWaalsContact OE2-N 3.12Å
845	S	91.8	Very high	89	Confident	47 Å²	47	60 Å²	60	33%	0.329	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147.9	177.3	56	0	0	0	0	112	I843 L861 S862	I843-S845 WeakPolarHBondContact CG2-O 3.11Å; S845-L861 CarbonylContact O-C 3.52Å; S845-L861 WeakPolarHBondContact O-CA 3.42Å; S845-S862 PolarHBondContact N-O 3.05Å; S845-S862 PolarHBondContact O-N 3.36Å; S845-S862 VanDerWaalsContact OG-CB 3.24Å; S845-S862 WeakPolarHBondContact OG-CB 3.3Å; S845-S862 PolarHBondContact OG-OG 2.88Å
846	V	93	Very high	89.4	Confident	20 Å²	20	60.9 Å²	60.9	12%	0.121	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.8	173.6	-176.4	0	0	0	0	108.3	I843 V848 V859 S860 L861 L912 V914 Q929	I843-V846 HydrophobicContact CG2-CG2 3.71Å; V846-V848 HydrophobicContact CG1-CG2 4.29Å; V846-V859 HydrophobicContact CG1-CG1 3.71Å; V846-S860 CarbonylContact C-O 3.57Å; V846-S860 VanDerWaalsContact CA-O 3.3Å; V846-S860 WeakPolarHBondContact CA-O 3.48Å; V846-L861 HydrophobicContact CB-CD2 4.28Å; V846-L861 HydrophobicContact CG1-CD2 3.88Å; V846-L861 HydrophobicContact CG2-CD2 3.75Å; V846-L912 HydrophobicContact CG1-CD2 3.77Å; V846-V914 HydrophobicContact CG2-CG2 3.89Å; V846-Q929 PolarHBondContact O-NE2 3.25Å
847	Q	93	Very high	89.8	Confident	100 Å²	100	59.3 Å²	59.3	47%	0.467	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.2	176.4	-57.4	179.2	-51.2	0	0	108.3	V859 S860	Q847-V859 CarbonylContact O-C 3.52Å; Q847-V859 WeakPolarHBondContact O-CA 3.24Å; Q847-S860 PolarHBondContact N-O 3.36Å; Q847-S860 PolarHBondContact O-N 3.23Å
848	V	93.1	Very high	90.3	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.6	-179.1	-170.7	0	0	0	0	110.5	V846 Q858 V859 L905 I908 K909 L912	V846-V848 HydrophobicContact CG1-CG2 4.29Å; V848-Q858 CarbonylContact C-O 3.44Å; V848-Q858 VanDerWaalsContact CA-O 3.3Å; V848-Q858 WeakPolarHBondContact CA-O 3.29Å; V848-V859 HydrophobicContact CG1-CG2 4.23Å; V848-V859 HydrophobicContact CG2-CG2 4.27Å; V848-L905 HydrophobicContact CG1-CD1 3.92Å; V848-I908 HydrophobicContact CG1-CG2 4.17Å; V848-K909 HydrophobicContact CB-CD 4.49Å; V848-K909 HydrophobicContact CB-CG 3.81Å; V848-K909 HydrophobicContact CG1-CG 4.19Å; V848-K909 HydrophobicContact CG2-CG 4.24Å; V848-K909 WeakPolarHBondContact O-CE 3.44Å; V848-K909 PolarHBondContact O-NZ 2.99Å; V848-L912 HydrophobicContact CG2-CD2 3.49Å; V848-L912 VanDerWaalsContact CG2-CD2 3.49Å
849	D	92	Very high	90.7	Very high	87 Å²	87	53.8 Å²	53.8	47%	0.465	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	164	-176.3	-66.4	-58.4	0	0	0	111.6	F857 Q858	D849-F857 CarbonylContact O-C 3.58Å; D849-F857 WeakPolarHBondContact O-CA 3.45Å; D849-Q858 HydrophobicContact CB-CB 4.47Å; D849-Q858 PolarHBondContact N-O 3.19Å; D849-Q858 PolarHBondContact O-N 3.33Å
850	V	89.1	Confident	90.9	Very high	95 Å²	95	48.9 Å²	48.9	58%	0.576	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	134.4	175.1	-168.7	0	0	0	0	109.7	L905	V850-L905 HydrophobicContact CG2-CB 4.41Å; V850-L905 HydrophobicContact CG2-CD1 4.27Å; V850-L905 HydrophobicContact CG2-CD2 3.96Å; V850-L905 HydrophobicContact CG2-CG 4.45Å
851	G	82.3	Confident	91.2	Very high	13 Å²	13	48.9 Å²	48.9	13%	0.134	25%	0.249	C	C	.	.			trans	-78.2	177.3	175.8	0	0	0	0	0	113.7	Q853 H856	G851-Q853 PolarHBondContact O-N 2.79Å; G851-H856 VanDerWaalsContact CA-O 3.3Å; G851-H856 WeakPolarHBondContact CA-O 3.02Å; G851-H856 PolarHBondContact N-O 2.84Å
852	Q	80	Confident	91.5	Very high	143 Å²	143	50 Å²	50	67%	0.668	26%	0.256	S	S	*	.	S	Bend	trans	-70.5	-6.6	-179.3	-62.8	-172	-0.8	0	0	114.7	M20	M20-Q852 PolarHBondContact SD-OE1 2.82Å; M20-Q852 VanDerWaalsContact SD-OE1 3.4Å
853	Q	83.9	Confident	91.6	Very high	33 Å²	33	47.4 Å²	47.4	15%	0.154	24%	0.243	C	C	.	.	S	Bend	trans	-132.3	157.3	178.7	-58.4	-173.6	16.7	0	0	110.2	V22 I23 G851 R855 H856	V22-Q853 PolarHBondContact O-NE2 3.44Å; V22-Q853 PolarHBondContact O-OE1 2.83Å; I23-Q853 VanDerWaalsContact CG1-NE2 3.26Å; G851-Q853 PolarHBondContact O-N 2.79Å; Q853-R855 PolarHBondContact O-N 2.84Å; Q853-H856 HydrophobicContact CB-CB 4.4Å; Q853-H856 PolarHBondContact O-N 3.49Å; Q853-H856 PolarHBondContact OE1-CE1 3Å
854	E	83.7	Confident	91.6	Very high	100 Å²	100	49.7 Å²	49.7	47%	0.467	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	137.4	171.4	-161.4	-162.8	117.8	0	0	110.6	H856 N903	E854-H856 PolarHBondContact O-CD2 2.98Å; E854-H856 PolarHBondContact O-N 3Å; E854-H856 VanDerWaalsContact O-N 3.09Å; E854-N903 WeakPolarHBondContact CG-ND2 3.44Å
855	R	88.9	Confident	91.6	Very high	84 Å²	84	46.4 Å²	46.4	32%	0.317	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	4.9	179.9	-37.7	-177.9	-159.1	168.9	11.4	116.5	Q853 F857 A899 K900 V902 N903	Q853-R855 PolarHBondContact O-N 2.84Å; R855-F857 WeakPolarHBondContact O-CD2 3.4Å; R855-F857 VanDerWaalsContact O-CE2 3.3Å; R855-F857 WeakPolarHBondContact O-CE2 3.45Å; R855-A899 HydrophobicContact CB-CB 4.22Å; R855-A899 WeakPolarHBondContact CB-O 3.33Å; R855-A899 WeakPolarHBondContact O-CB 3.29Å; R855-A899 PolarHBondContact O-N 2.85Å; R855-K900 PolarHBondContact NH1-O 2.84Å; R855-V902 WeakPolarHBondContact CB-O 3.21Å; R855-N903 WeakPolarHBondContact CA-OD1 3.24Å; R855-N903 HydrophobicContact CG-CB 3.98Å; R855-N903 PolarHBondContact N-OD1 3Å
856	H	94.1	Very high	91.8	Very high	31 Å²	31	44.1 Å²	44.1	14%	0.144	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.8	170.6	-64.9	-167.2	0	0	0	108.6	G851 Q853 E854 T896 F897 Y898	G851-H856 VanDerWaalsContact CA-O 3.3Å; G851-H856 WeakPolarHBondContact CA-O 3.02Å; G851-H856 PolarHBondContact N-O 2.84Å; Q853-H856 HydrophobicContact CB-CB 4.4Å; Q853-H856 PolarHBondContact O-N 3.49Å; Q853-H856 PolarHBondContact OE1-CE1 3Å; E854-H856 PolarHBondContact O-CD2 2.98Å; E854-H856 PolarHBondContact O-N 3Å; E854-H856 VanDerWaalsContact O-N 3.09Å; H856-T896 HydrophobicContact CB-CG2 4.01Å; H856-F897 WeakPolarHBondContact CA-O 3.27Å; H856-Y898 AromaticContact CD2-CD1 3.77Å; H856-Y898 AromaticContact CE1-CD1 3.59Å; H856-Y898 AromaticContact CE1-CE1 3.75Å; H856-Y898 AromaticContact CG-CD1 3.83Å; H856-Y898 AromaticContact ND1-CD1 3.7Å; H856-Y898 AromaticContact ND1-CE1 3.69Å; H856-Y898 AromaticContact NE2-CD1 3.61Å
857	F	95.3	Very high	92	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.6	-178.3	-58.3	-86	0	0	0	109.9	D849 R855 T896 F897 A899 L905 I908	D849-F857 CarbonylContact O-C 3.58Å; D849-F857 WeakPolarHBondContact O-CA 3.45Å; R855-F857 WeakPolarHBondContact O-CD2 3.4Å; R855-F857 VanDerWaalsContact O-CE2 3.3Å; R855-F857 WeakPolarHBondContact O-CE2 3.45Å; F857-T896 CarbonylContact O-C 3.59Å; F857-T896 VanDerWaalsContact O-CA 3.26Å; F857-T896 WeakPolarHBondContact O-CA 3.38Å; F857-F897 HydrophobicContact CB-CB 4.43Å; F857-F897 HydrophobicContact CD2-CD1 4.25Å; F857-F897 PolarHBondContact N-O 3.45Å; F857-F897 PolarHBondContact O-N 2.63Å; F857-A899 HydrophobicContact CD2-CB 4.37Å; F857-A899 HydrophobicContact CE2-CB 3.94Å; F857-L905 HydrophobicContact CD1-CD1 3.7Å; F857-L905 HydrophobicContact CE1-CB 4.11Å; F857-L905 HydrophobicContact CE1-CD1 4.14Å; F857-I908 HydrophobicContact CD1-CG1 4.19Å; F857-I908 HydrophobicContact CD2-CD1 4.35Å; F857-I908 HydrophobicContact CD2-CG1 3.77Å; F857-I908 HydrophobicContact CE1-CG1 4.06Å; F857-I908 HydrophobicContact CE2-CD1 4.13Å; F857-I908 HydrophobicContact CE2-CG1 3.63Å; F857-I908 HydrophobicContact CG-CG1 4.04Å; F857-I908 HydrophobicContact CG-CG2 4.41Å; F857-I908 HydrophobicContact CZ-CG1 3.78Å
858	Q	96.2	Very high	92.1	Very high	46 Å²	46	38.4 Å²	38.4	22%	0.215	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	129.2	174.5	-61.5	-55.6	-56.3	0	0	109.3	V848 D849 T894 T896	V848-Q858 CarbonylContact C-O 3.44Å; V848-Q858 VanDerWaalsContact CA-O 3.3Å; V848-Q858 WeakPolarHBondContact CA-O 3.29Å; D849-Q858 HydrophobicContact CB-CB 4.47Å; D849-Q858 PolarHBondContact N-O 3.19Å; D849-Q858 PolarHBondContact O-N 3.33Å; Q858-T894 HydrophobicContact CB-CG2 4.23Å; Q858-T896 PolarHBondContact NE2-OG1 3.04Å; Q858-T896 PolarHBondContact OE1-OG1 3.41Å
859	V	95.7	Very high	92.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	108.2	174.5	-178.7	0	0	0	0	107.6	V846 Q847 V848 L861 L872 F881 T894 V895 L912	V846-V859 HydrophobicContact CG1-CG1 3.71Å; Q847-V859 CarbonylContact O-C 3.52Å; Q847-V859 WeakPolarHBondContact O-CA 3.24Å; V848-V859 HydrophobicContact CG1-CG2 4.23Å; V848-V859 HydrophobicContact CG2-CG2 4.27Å; V859-L861 HydrophobicContact CG1-CD2 3.88Å; V859-L872 HydrophobicContact CG1-CD1 4.2Å; V859-F881 HydrophobicContact CG2-CE1 4.2Å; V859-T894 WeakPolarHBondContact O-CA 3.43Å; V859-V895 HydrophobicContact CB-CG2 4.15Å; V859-V895 PolarHBondContact N-O 3.3Å; V859-V895 PolarHBondContact O-N 3.42Å; V859-L912 HydrophobicContact CG1-CD2 3.82Å; V859-L912 HydrophobicContact CG2-CD2 4.23Å
860	S	96.7	Very high	92.4	Very high	12 Å²	12	34.1 Å²	34.1	8%	0.084	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.4	176.7	-61.9	0	0	0	0	110.4	V846 Q847 V893 T894	V846-S860 CarbonylContact C-O 3.57Å; V846-S860 VanDerWaalsContact CA-O 3.3Å; V846-S860 WeakPolarHBondContact CA-O 3.48Å; Q847-S860 PolarHBondContact N-O 3.36Å; Q847-S860 PolarHBondContact O-N 3.23Å; S860-V893 CarbonylContact C-O 3.02Å; S860-V893 WeakPolarHBondContact CA-O 3.5Å; S860-T894 WeakPolarHBondContact OG-CG2 3.39Å; S860-T894 PolarHBondContact OG-OG1 3.06Å
861	L	96.8	Very high	92.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.3	-179.3	-48.8	177.2	0	0	0	109.8	I843 S845 V846 V859 V870 L872 F886 M888 K892 V893	I843-L861 HydrophobicContact CD1-CB 4.25Å; I843-L861 HydrophobicContact CD1-CD1 4.42Å; I843-L861 HydrophobicContact CG2-CB 4.36Å; I843-L861 HydrophobicContact CG2-CD2 4.44Å; S845-L861 CarbonylContact O-C 3.52Å; S845-L861 WeakPolarHBondContact O-CA 3.42Å; V846-L861 HydrophobicContact CB-CD2 4.28Å; V846-L861 HydrophobicContact CG1-CD2 3.88Å; V846-L861 HydrophobicContact CG2-CD2 3.75Å; V859-L861 HydrophobicContact CG1-CD2 3.88Å; L861-V870 HydrophobicContact CD1-CG1 3.77Å; L861-L872 HydrophobicContact CD1-CD1 4.35Å; L861-L872 HydrophobicContact CD1-CD2 4.19Å; L861-L872 HydrophobicContact CD2-CD2 3.95Å; L861-F886 HydrophobicContact CD1-CE2 4.09Å; L861-F886 HydrophobicContact CD1-CZ 3.73Å; L861-M888 HydrophobicContact CB-CE 4.35Å; L861-M888 HydrophobicContact CB-SD 4.25Å; L861-K892 VanDerWaalsContact O-CA 3.29Å; L861-K892 WeakPolarHBondContact O-CA 3.17Å; L861-K892 WeakPolarHBondContact O-CG 3.45Å; L861-V893 PolarHBondContact N-O 3.35Å; L861-V893 PolarHBondContact O-N 3.38Å
862	S	96.6	Very high	93.4	Very high	25 Å²	25	29.5 Å²	29.5	18%	0.175	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.7	171.2	-23	0	0	0	0	112.4	E844 S845 S891	E844-S862 PolarHBondContact N-O 3.01Å; S845-S862 PolarHBondContact N-O 3.05Å; S845-S862 PolarHBondContact O-N 3.36Å; S845-S862 VanDerWaalsContact OG-CB 3.24Å; S845-S862 WeakPolarHBondContact OG-CB 3.3Å; S845-S862 PolarHBondContact OG-OG 2.88Å; S862-S891 VanDerWaalsContact CA-O 3.24Å; S862-S891 WeakPolarHBondContact CA-O 3.47Å
863	A	95.5	Very high	94	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.033	12%	0.119	C	C	.	.			trans	-154.2	156.8	174.4	0	0	0	0	0	111	F775 N842 E844 V867 M888 S891	F775-A863 WeakPolarHBondContact CE2-O 3.28Å; N842-A863 WeakPolarHBondContact O-CB 3.44Å; E844-A863 WeakPolarHBondContact OE2-CA 3.35Å; A863-V867 HydrophobicContact CB-CG2 3.56Å; A863-M888 HydrophobicContact CB-CE 4.17Å; A863-S891 PolarHBondContact N-O 2.81Å; A863-S891 VanDerWaalsContact O-CA 3.3Å; A863-S891 WeakPolarHBondContact O-CA 3.4Å; A863-S891 WeakPolarHBondContact O-CB 3.49Å
864	S	93.4	Very high	94.4	Very high	78 Å²	78	21.9 Å²	21.9	55%	0.545	11%	0.112	S	C	.	.	S	Bend	trans	-86	-17.9	177.9	59.1	0	0	0	0	114.9	F775 E844	F775-S864 VanDerWaalsContact CD2-O 3.29Å; F775-S864 WeakPolarHBondContact CD2-O 3.45Å; F775-S864 VanDerWaalsContact CE2-O 3.29Å; F775-S864 WeakPolarHBondContact CE2-O 3.43Å; E844-S864 WeakPolarHBondContact OE1-CB 2.84Å; E844-S864 PolarHBondContact OE1-N 3.08Å; E844-S864 PolarHBondContact OE1-OG 3.1Å; E844-S864 PolarHBondContact OE2-N 3.28Å; E844-S864 VanDerWaalsContact OE2-N 3.12Å
865	Q	93.2	Very high	94.5	Very high	47 Å²	47	18.4 Å²	18.4	22%	0.22	10%	0.1	C	C	.	.	S	Bend	trans	-145.7	165.9	-177.6	62.4	178.1	19.6	0	0	111.6	F775 E838 V867	F775-Q865 VanDerWaalsContact CE2-CA 3.49Å; F775-Q865 VanDerWaalsContact CE2-N 3.26Å; F775-Q865 WeakPolarHBondContact CZ-O 3.37Å; E838-Q865 PolarHBondContact O-NE2 2.72Å; Q865-V867 WeakPolarHBondContact O-CG2 3.3Å; Q865-V867 PolarHBondContact O-N 3.14Å
866	P	95.3	Very high	94.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.			trans	-56.7	132.5	-178.7	-26.9	35.2	0	0	0	113.2	W772 S774 F775 I811 L840 M888 L889	W772-P866 HydrophobicContact CE3-CB 4.19Å; W772-P866 HydrophobicContact CZ3-CB 4.18Å; S774-P866 WeakPolarHBondContact O-CD 3.29Å; S774-P866 VanDerWaalsContact O-CG 3.25Å; S774-P866 WeakPolarHBondContact O-CG 3.46Å; F775-P866 HydrophobicContact CD1-CG 3.77Å; F775-P866 HydrophobicContact CE1-CB 4.37Å; F775-P866 HydrophobicContact CE1-CG 4.08Å; F775-P866 HydrophobicContact CG-CG 4.43Å; I811-P866 HydrophobicContact CD1-CB 4.39Å; L840-P866 CarbonylContact C-O 3.56Å; P866-M888 VanDerWaalsContact CA-O 3.29Å; P866-M888 WeakPolarHBondContact CA-O 3.38Å; P866-L889 HydrophobicContact CB-CD2 4.18Å
867	V	96.4	Very high	94	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.9	-176.9	-172	0	0	0	0	111.2	L840 N842 I843 A863 Q865 V870 I887 M888 T916	L840-V867 CarbonylContact O-C 3.59Å; L840-V867 WeakPolarHBondContact O-CA 3.44Å; N842-V867 WeakPolarHBondContact O-CG2 3.36Å; I843-V867 HydrophobicContact CD1-CB 4.4Å; I843-V867 HydrophobicContact CD1-CG1 4.28Å; I843-V867 HydrophobicContact CD1-CG2 4.16Å; A863-V867 HydrophobicContact CB-CG2 3.56Å; Q865-V867 WeakPolarHBondContact O-CG2 3.3Å; Q865-V867 PolarHBondContact O-N 3.14Å; V867-V870 HydrophobicContact CB-CG2 3.79Å; V867-V870 HydrophobicContact CG1-CG2 3.52Å; V867-I887 CarbonylContact O-C 3.6Å; V867-I887 WeakPolarHBondContact O-CA 3.37Å; V867-M888 HydrophobicContact CB-CB 4.08Å; V867-M888 PolarHBondContact N-O 3.36Å; V867-M888 VanDerWaalsContact N-O 3.12Å; V867-M888 PolarHBondContact O-N 3.5Å; V867-T916 HydrophobicContact CG1-CG2 3.49Å; V867-T916 VanDerWaalsContact CG1-CG2 3.49Å
868	A	94.9	Very high	93.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.2	-177.1	0	0	0	0	0	112.2	W772 L840 L917	W772-A868 HydrophobicContact CH2-CB 3.63Å; W772-A868 HydrophobicContact CZ2-CB 4.38Å; W772-A868 HydrophobicContact CZ3-CB 3.78Å; L840-A868 HydrophobicContact CB-CB 4.03Å; L840-A868 HydrophobicContact CD2-CB 3.78Å; L840-A868 HydrophobicContact CG-CB 4.43Å; L840-A868 PolarHBondContact O-N 3.01Å; A868-L917 HydrophobicContact CB-CB 4.08Å; A868-L917 HydrophobicContact CB-CD2 4.43Å; A868-L917 PolarHBondContact O-N 2.99Å
869	F	95.3	Very high	93.7	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.018	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.2	58.4	170.3	-51	-70.5	0	0	0	113.8	F664 L668 I672 Y728 L828 L832 W871 F886 I887 L917	F664-F869 HydrophobicContact CZ-CB 4.07Å; L668-F869 HydrophobicContact CD1-CB 4.18Å; L668-F869 HydrophobicContact CD1-CD1 3.5Å; L668-F869 VanDerWaalsContact CD1-CD1 3.5Å; L668-F869 HydrophobicContact CD1-CE1 3.95Å; L668-F869 HydrophobicContact CD1-CG 3.79Å; L668-F869 HydrophobicContact CD2-CB 4Å; L668-F869 HydrophobicContact CD2-CD1 4.31Å; L668-F869 HydrophobicContact CD2-CD2 3.85Å; L668-F869 HydrophobicContact CD2-CE2 4.41Å; L668-F869 HydrophobicContact CD2-CG 3.77Å; L668-F869 HydrophobicContact CG-CD1 4.5Å; L668-F869 HydrophobicContact CG-CG 4.43Å; I672-F869 HydrophobicContact CD1-CE1 3.74Å; I672-F869 HydrophobicContact CD1-CZ 3.73Å; Y728-F869 WeakPolarHBondContact OH-CD1 3.16Å; Y728-F869 WeakPolarHBondContact OH-CE1 3.21Å; L828-F869 HydrophobicContact CD1-CE2 4.22Å; L828-F869 HydrophobicContact CD1-CZ 3.72Å; L832-F869 HydrophobicContact CD1-CE2 3.65Å; L832-F869 HydrophobicContact CD1-CZ 4.2Å; F869-W871 PolarHBondContact O-N 3.18Å; F869-F886 CarbonylContact C-O 3.5Å; F869-F886 VanDerWaalsContact CA-O 3.24Å; F869-F886 WeakPolarHBondContact CA-O 3.42Å; F869-F886 PolarHBondContact N-O 3.34Å; F869-I887 HydrophobicContact CD1-CG1 4.08Å; F869-I887 HydrophobicContact CE1-CD1 3.92Å; F869-I887 HydrophobicContact CE1-CG1 3.83Å; F869-I887 HydrophobicContact CZ-CD1 3.94Å; F869-I887 HydrophobicContact CZ-CG1 4.13Å; F869-L917 HydrophobicContact CD2-CB 4.2Å; F869-L917 HydrophobicContact CD2-CD2 3.9Å; F869-L917 HydrophobicContact CE2-CD2 4.16Å
870	V	97	Very high	93.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	115.7	174.2	-176.8	0	0	0	0	109.5	I843 L861 V867 L872 N884 G885 F886 M888 V914	I843-V870 HydrophobicContact CD1-CG1 4.12Å; I843-V870 HydrophobicContact CD1-CG2 3.9Å; I843-V870 HydrophobicContact CG1-CG1 4.04Å; I843-V870 HydrophobicContact CG1-CG2 4.35Å; L861-V870 HydrophobicContact CD1-CG1 3.77Å; V867-V870 HydrophobicContact CB-CG2 3.79Å; V867-V870 HydrophobicContact CG1-CG2 3.52Å; V870-L872 HydrophobicContact CG1-CD2 4.29Å; V870-N884 PolarHBondContact O-OD1 2.99Å; V870-G885 WeakPolarHBondContact O-CA 3.46Å; V870-G885 PolarHBondContact O-N 2.99Å; V870-F886 HydrophobicContact CB-CD2 4.03Å; V870-F886 HydrophobicContact CB-CE2 3.71Å; V870-F886 HydrophobicContact CB-CZ 4.19Å; V870-F886 HydrophobicContact CG1-CE2 3.99Å; V870-F886 HydrophobicContact CG1-CZ 4.11Å; V870-F886 HydrophobicContact CG2-CD2 4.3Å; V870-F886 HydrophobicContact CG2-CE2 4.06Å; V870-F886 PolarHBondContact N-O 2.69Å; V870-F886 PolarHBondContact O-N 2.81Å; V870-M888 HydrophobicContact CG2-CB 3.98Å; V870-V914 HydrophobicContact CG1-CG1 4.45Å
871	W	96.2	Very high	93.8	Very high	10 Å²	10	18.7 Å²	18.7	4%	0.038	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125	177.4	176.6	-101.2	0	0	0	110.8	F596 F664 W722 I724 Y727 F869 N884 V914 L915	F596-W871 HydrophobicContact CE1-CH2 4.37Å; F596-W871 AromaticContact CE1-CZ2 3.53Å; F596-W871 HydrophobicContact CE1-CZ2 3.53Å; F596-W871 AromaticContact CZ-CH2 3.85Å; F596-W871 HydrophobicContact CZ-CH2 3.85Å; F596-W871 AromaticContact CZ-CZ2 3.43Å; F596-W871 HydrophobicContact CZ-CZ2 3.43Å; F596-W871 VanDerWaalsContact CZ-CZ2 3.43Å; F664-W871 HydrophobicContact CD2-CB 4.18Å; F664-W871 HydrophobicContact CD2-CG 4.39Å; F664-W871 HydrophobicContact CE2-CB 3.73Å; F664-W871 HydrophobicContact CE2-CG 4.4Å; W722-W871 WeakPolarHBondContact O-CH2 3.48Å; I724-W871 HydrophobicContact CB-CZ3 4.33Å; I724-W871 HydrophobicContact CD1-CE3 4.39Å; I724-W871 HydrophobicContact CG1-CD2 4.23Å; I724-W871 HydrophobicContact CG1-CE3 3.63Å; I724-W871 HydrophobicContact CG1-CH2 4.3Å; I724-W871 HydrophobicContact CG1-CZ3 3.65Å; Y727-W871 HydrophobicContact CD2-CH2 4.27Å; Y727-W871 AromaticContact CD2-CZ3 3.84Å; Y727-W871 HydrophobicContact CD2-CZ3 3.84Å; Y727-W871 AromaticContact CE2-CH2 3.7Å; Y727-W871 HydrophobicContact CE2-CH2 3.7Å; Y727-W871 AromaticContact CE2-CZ3 3.66Å; Y727-W871 HydrophobicContact CE2-CZ3 3.66Å; F869-W871 PolarHBondContact O-N 3.18Å; W871-N884 WeakPolarHBondContact CA-OD1 3.4Å; W871-N884 HydrophobicContact CE3-CB 4.23Å; W871-N884 VanDerWaalsContact CE3-CG 3.42Å; W871-N884 HydrophobicContact CZ3-CB 4.03Å; W871-N884 VanDerWaalsContact CZ3-ND2 3.27Å; W871-N884 WeakPolarHBondContact CZ3-ND2 3.28Å; W871-V914 CarbonylContact O-C 3.52Å; W871-V914 WeakPolarHBondContact O-CA 3.48Å; W871-L915 HydrophobicContact CB-CB 4.47Å; W871-L915 PolarHBondContact N-O 2.91Å; W871-L915 PolarHBondContact O-N 3.08Å
872	L	96	Very high	93.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	139.8	174.7	-51.5	178.5	0	0	0	109.7	V859 L861 V870 F881 N884 V895 L912 T913 V914	V859-L872 HydrophobicContact CG1-CD1 4.2Å; L861-L872 HydrophobicContact CD1-CD1 4.35Å; L861-L872 HydrophobicContact CD1-CD2 4.19Å; L861-L872 HydrophobicContact CD2-CD2 3.95Å; V870-L872 HydrophobicContact CG1-CD2 4.29Å; L872-F881 HydrophobicContact CB-CD1 4.24Å; L872-F881 HydrophobicContact CB-CD2 4.13Å; L872-F881 HydrophobicContact CB-CE1 3.75Å; L872-F881 HydrophobicContact CB-CE2 3.64Å; L872-F881 HydrophobicContact CB-CG 4.41Å; L872-F881 HydrophobicContact CB-CZ 3.42Å; L872-F881 VanDerWaalsContact CB-CZ 3.42Å; L872-F881 HydrophobicContact CD1-CD1 3.76Å; L872-F881 HydrophobicContact CD1-CE1 3.67Å; L872-F881 HydrophobicContact CD1-CG 4.4Å; L872-F881 HydrophobicContact CD1-CZ 4.25Å; L872-F881 HydrophobicContact CG-CE1 4.39Å; L872-F881 HydrophobicContact CG-CZ 4.5Å; L872-F881 WeakPolarHBondContact O-CE2 2.84Å; L872-N884 PolarHBondContact N-OD1 3.17Å; L872-N884 PolarHBondContact O-ND2 3.33Å; L872-V895 HydrophobicContact CD1-CG2 3.54Å; L872-L912 HydrophobicContact CB-CD1 4.39Å; L872-T913 WeakPolarHBondContact CA-O 3.43Å; L872-V914 HydrophobicContact CD2-CB 4.32Å; L872-V914 HydrophobicContact CD2-CG1 4.07Å; L872-V914 HydrophobicContact CD2-CG2 3.63Å
873	D	92.9	Very high	93.7	Very high	15 Å²	15	21 Å²	21	8%	0.08	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	147.4	171.7	-175.8	41.9	0	0	0	112.3	K721 T913	K721-D873 WeakPolarHBondContact CE-OD1 3.44Å; K721-D873 IonicContact NZ-OD1 2.7Å; K721-D873 PolarHBondContact NZ-OD1 3.42Å; K721-D873 IonicContact NZ-OD2 3.53Å; K721-D873 PolarHBondContact NZ-OD2 3.45Å; D873-T913 PolarHBondContact N-O 2.75Å; D873-T913 PolarHBondContact O-N 2.91Å; D873-T913 PolarHBondContact O-OG1 3.1Å
874	V	91.9	Very high	93.8	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	101.5	177.5	-169.2	0	0	0	0	109.1	N876 V877 F881 F897 I908 R911 L912	V874-N876 PolarHBondContact O-N 3.13Å; V874-V877 HydrophobicContact CB-CB 4.35Å; V874-V877 HydrophobicContact CG1-CB 3.94Å; V874-V877 HydrophobicContact CG1-CG2 3.69Å; V874-V877 PolarHBondContact O-N 3.4Å; V874-F881 HydrophobicContact CG2-CE2 4.32Å; V874-F881 HydrophobicContact CG2-CZ 3.75Å; V874-F897 HydrophobicContact CB-CE1 4.19Å; V874-F897 HydrophobicContact CB-CE2 4.36Å; V874-F897 HydrophobicContact CB-CZ 3.91Å; V874-F897 HydrophobicContact CG1-CE1 4.44Å; V874-F897 HydrophobicContact CG2-CD1 4.19Å; V874-F897 HydrophobicContact CG2-CD2 4.18Å; V874-F897 HydrophobicContact CG2-CE1 3.95Å; V874-F897 HydrophobicContact CG2-CE2 3.94Å; V874-F897 HydrophobicContact CG2-CG 4.3Å; V874-F897 HydrophobicContact CG2-CZ 3.83Å; V874-I908 HydrophobicContact CG1-CD1 4.05Å; V874-I908 HydrophobicContact CG2-CG2 4.48Å; V874-R911 WeakPolarHBondContact CA-O 3.43Å; V874-R911 HydrophobicContact CG1-CB 3.99Å; V874-L912 HydrophobicContact CG2-CD1 4.05Å
875	A	85.2	Confident	93.9	Very high	27 Å²	27	17.1 Å²	17.1	22%	0.223	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	135	-170.7	0	0	0	0	0	112.8	V877 R911	A875-V877 PolarHBondContact O-N 3.06Å; A875-R911 PolarHBondContact N-O 2.8Å; A875-R911 WeakPolarHBondContact O-CD 3.44Å; A875-R911 PolarHBondContact O-NH1 2.89Å
876	N	83.6	Confident	94	Very high	108 Å²	108	15.5 Å²	15.5	58%	0.578	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	33	178	-60	-46.2	0	0	0	114.7	V874 R911	V874-N876 PolarHBondContact O-N 3.13Å; N876-R911 PolarHBondContact O-NH1 3.19Å; N876-R911 VanDerWaalsContact O-NH1 3.13Å
877	V	90	Very high	94.1	Very high	10 Å²	10	16.6 Å²	16.6	6%	0.061	10%	0.097	C	C	.	.			trans	-124.8	133.1	170.5	-176.8	0	0	0	0	109	V874 A875 F897 A899 N901 V902 I908	V874-V877 HydrophobicContact CB-CB 4.35Å; V874-V877 HydrophobicContact CG1-CB 3.94Å; V874-V877 HydrophobicContact CG1-CG2 3.69Å; V874-V877 PolarHBondContact O-N 3.4Å; A875-V877 PolarHBondContact O-N 3.06Å; V877-F897 HydrophobicContact CB-CZ 4.43Å; V877-F897 HydrophobicContact CG1-CE1 3.85Å; V877-F897 HydrophobicContact CG1-CZ 4.01Å; V877-A899 HydrophobicContact CG1-CB 4.19Å; V877-N901 WeakPolarHBondContact CG1-OD1 3.3Å; V877-V902 HydrophobicContact CG1-CB 3.98Å; V877-V902 HydrophobicContact CG1-CG2 3.94Å; V877-V902 HydrophobicContact CG2-CG2 4.03Å; V877-I908 HydrophobicContact CG1-CD1 4.18Å; V877-I908 HydrophobicContact CG2-CD1 4.42Å
878	T	92.3	Very high	94	Very high	40 Å²	40	16.7 Å²	16.7	25%	0.245	10%	0.098	C	C	.	.			trans	-88	117.7	177.4	-54.7	0	0	0	0	108.9	F410 L720 K900 N901	F410-T878 HydrophobicContact CD2-CG2 4.27Å; F410-T878 HydrophobicContact CE2-CG2 3.92Å; F410-T878 HydrophobicContact CZ-CG2 4.35Å; L720-T878 HydrophobicContact CB-CG2 4.29Å; L720-T878 HydrophobicContact CD1-CG2 4.38Å; T878-K900 WeakPolarHBondContact O-CB 3.38Å; T878-K900 PolarHBondContact O-N 2.95Å; T878-N901 PolarHBondContact N-OD1 3.14Å
879	G	93.6	Very high	94	Very high	11 Å²	11	18.3 Å²	18.3	11%	0.113	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-175.9	-177.4	0	0	0	0	0	111.5	Y898	G879-Y898 WeakPolarHBondContact CA-O 3.45Å
880	Y	96.1	Very high	93.9	Very high	9 Å²	9	24.4 Å²	24.4	4%	0.035	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	159.1	175.5	49.9	-92.8	0	0	0	109.7	F410 E413 Q417 W722 F897 Y898 K900	F410-Y880 HydrophobicContact CE2-CD1 4.11Å; F410-Y880 HydrophobicContact CE2-CE1 4.26Å; F410-Y880 HydrophobicContact CZ-CD1 4.08Å; E413-Y880 PolarHBondContact OE1-OH 2.73Å; Q417-Y880 HydrophobicContact CG-CE2 4.14Å; W722-Y880 HydrophobicContact CD2-CG 4.16Å; W722-Y880 AromaticContact CE2-CD1 3.75Å; W722-Y880 AromaticContact CE2-CG 3.65Å; W722-Y880 HydrophobicContact CE3-CG 4.47Å; W722-Y880 HydrophobicContact CH2-CD1 4.43Å; W722-Y880 AromaticContact CH2-CD2 3.71Å; W722-Y880 HydrophobicContact CH2-CD2 3.71Å; W722-Y880 HydrophobicContact CH2-CE2 4.26Å; W722-Y880 AromaticContact CH2-CG 3.84Å; W722-Y880 HydrophobicContact CH2-CG 3.84Å; W722-Y880 AromaticContact CZ2-CD1 3.64Å; W722-Y880 HydrophobicContact CZ2-CD1 3.64Å; W722-Y880 AromaticContact CZ2-CD2 3.76Å; W722-Y880 HydrophobicContact CZ2-CD2 3.76Å; W722-Y880 HydrophobicContact CZ2-CE1 4.12Å; W722-Y880 HydrophobicContact CZ2-CE2 4.24Å; W722-Y880 AromaticContact CZ2-CG 3.46Å; W722-Y880 HydrophobicContact CZ2-CG 3.46Å; W722-Y880 VanDerWaalsContact CZ2-CG 3.46Å; W722-Y880 HydrophobicContact CZ3-CD2 4.28Å; W722-Y880 HydrophobicContact CZ3-CG 4.33Å; W722-Y880 AromaticContact NE1-CD1 3.85Å; Y880-F897 WeakPolarHBondContact O-CD2 3.29Å; Y880-Y898 AromaticContact CD2-CD2 3.56Å; Y880-Y898 HydrophobicContact CD2-CD2 3.56Å; Y880-Y898 HydrophobicContact CD2-CE2 4.35Å; Y880-Y898 HydrophobicContact CD2-CG 4.29Å; Y880-Y898 AromaticContact CE2-CD2 3.35Å; Y880-Y898 HydrophobicContact CE2-CD2 3.35Å; Y880-Y898 HydrophobicContact CE2-CE2 4.06Å; Y880-Y898 AromaticContact CE2-CG 3.83Å; Y880-Y898 HydrophobicContact CE2-CG 3.83Å; Y880-Y898 PolarHBondContact N-O 3.16Å; Y880-Y898 WeakPolarHBondContact O-CD2 3.2Å; Y880-Y898 PolarHBondContact O-N 3.48Å; Y880-K900 PolarHBondContact OH-NZ 3.33Å
881	F	97	Very high	93.8	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.013	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	163.6	172.5	-65.9	-93.4	0	0	0	111.5	Y727 V859 L872 V874 D883 N884 V895 T896 F897 L912	Y727-F881 HydrophobicContact CE1-CB 4.04Å; Y727-F881 WeakPolarHBondContact CE1-O 3.47Å; Y727-F881 PolarHBondContact OH-N 2.03Å; V859-F881 HydrophobicContact CG2-CE1 4.2Å; L872-F881 HydrophobicContact CB-CD1 4.24Å; L872-F881 HydrophobicContact CB-CD2 4.13Å; L872-F881 HydrophobicContact CB-CE1 3.75Å; L872-F881 HydrophobicContact CB-CE2 3.64Å; L872-F881 HydrophobicContact CB-CG 4.41Å; L872-F881 HydrophobicContact CB-CZ 3.42Å; L872-F881 VanDerWaalsContact CB-CZ 3.42Å; L872-F881 HydrophobicContact CD1-CD1 3.76Å; L872-F881 HydrophobicContact CD1-CE1 3.67Å; L872-F881 HydrophobicContact CD1-CG 4.4Å; L872-F881 HydrophobicContact CD1-CZ 4.25Å; L872-F881 HydrophobicContact CG-CE1 4.39Å; L872-F881 HydrophobicContact CG-CZ 4.5Å; L872-F881 WeakPolarHBondContact O-CE2 2.84Å; V874-F881 HydrophobicContact CG2-CE2 4.32Å; V874-F881 HydrophobicContact CG2-CZ 3.75Å; F881-D883 VanDerWaalsContact C-N 3.31Å; F881-D883 WeakPolarHBondContact CB-O 3.23Å; F881-N884 HydrophobicContact CB-CB 4.34Å; F881-N884 WeakPolarHBondContact CD2-ND2 3.36Å; F881-V895 HydrophobicContact CD1-CG2 4.02Å; F881-T896 CarbonylContact C-O 3.59Å; F881-T896 VanDerWaalsContact CA-O 3.27Å; F881-T896 WeakPolarHBondContact CA-O 3.3Å; F881-F897 HydrophobicContact CD1-CB 3.86Å; F881-F897 AromaticContact CD1-CD2 3.92Å; F881-F897 HydrophobicContact CD1-CD2 3.92Å; F881-F897 HydrophobicContact CD1-CG 4.35Å; F881-F897 AromaticContact CD2-CD2 3.82Å; F881-F897 HydrophobicContact CD2-CD2 3.82Å; F881-F897 HydrophobicContact CD2-CE2 4.29Å; F881-F897 HydrophobicContact CE1-CB 3.78Å; F881-F897 AromaticContact CE1-CD2 3.79Å; F881-F897 HydrophobicContact CE1-CD2 3.79Å; F881-F897 HydrophobicContact CE1-CG 4.09Å; F881-F897 AromaticContact CE2-CD2 3.67Å; F881-F897 HydrophobicContact CE2-CD2 3.67Å; F881-F897 AromaticContact CE2-CE2 3.98Å; F881-F897 HydrophobicContact CE2-CE2 3.98Å; F881-F897 AromaticContact CG-CD2 3.94Å; F881-F897 HydrophobicContact CG-CD2 3.94Å; F881-F897 HydrophobicContact CZ-CB 4.44Å; F881-F897 AromaticContact CZ-CD2 3.67Å; F881-F897 HydrophobicContact CZ-CD2 3.67Å; F881-F897 HydrophobicContact CZ-CE2 4.25Å; F881-F897 HydrophobicContact CZ-CG 4.26Å; F881-L912 HydrophobicContact CE1-CD1 4.28Å; F881-L912 HydrophobicContact CZ-CD1 3.88Å
882	S	96.2	Very high	93.8	Very high	34 Å²	34	32 Å²	32	24%	0.238	18%	0.177	C	C	.	.	S	Bend	trans	-72.8	-25.8	175.4	63.2	0	0	0	0	113.4	Q730 V895 T896	Q730-S882 PolarHBondContact NE2-O 3.04Å; Q730-S882 PolarHBondContact OE1-O 3.04Å; S882-V895 WeakPolarHBondContact OG-CA 3.22Å; S882-V895 WeakPolarHBondContact OG-CB 3.49Å; S882-T896 PolarHBondContact N-O 2.6Å; S882-T896 PolarHBondContact OG-N 3.3Å
883	D	96.1	Very high	93.8	Very high	41 Å²	41	33.5 Å²	33.5	22%	0.219	19%	0.186	C	C	.	.	S	Bend	trans	-152.5	154.3	161.9	-165	12.8	0	0	0	108.9	R731 F881 F886 V895	R731-D883 IonicContact CZ-OD1 2.7Å; R731-D883 IonicContact CZ-OD2 3.71Å; R731-D883 IonicContact NE-OD1 2.82Å; R731-D883 PolarHBondContact NE-OD1 3.27Å; R731-D883 IonicContact NE-OD2 3.52Å; R731-D883 PolarHBondContact NE-OD2 2.72Å; R731-D883 VanDerWaalsContact NH2-CG 3.32Å; R731-D883 IonicContact NH2-OD1 2.73Å; R731-D883 PolarHBondContact NH2-OD1 2.83Å; R731-D883 IonicContact NH2-OD2 3.55Å; R731-D883 PolarHBondContact NH2-OD2 2.9Å; F881-D883 VanDerWaalsContact C-N 3.31Å; F881-D883 WeakPolarHBondContact CB-O 3.23Å; D883-F886 HydrophobicContact CB-CD1 4.1Å; D883-F886 HydrophobicContact CB-CE1 4.45Å; D883-V895 HydrophobicContact CB-CG1 4.36Å
884	N	97.1	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.			trans	-158.6	158.7	179.2	-151.5	-8.3	0	0	0	112.3	Y727 R731 V870 W871 L872 F881 F886	Y727-N884 WeakPolarHBondContact CB-O 3.43Å; Y727-N884 HydrophobicContact CD1-CB 3.41Å; Y727-N884 VanDerWaalsContact CD1-CB 3.41Å; Y727-N884 HydrophobicContact CD2-CB 3.77Å; Y727-N884 HydrophobicContact CE1-CB 3.43Å; Y727-N884 VanDerWaalsContact CE1-CB 3.43Å; Y727-N884 HydrophobicContact CE2-CB 3.8Å; Y727-N884 HydrophobicContact CG-CB 3.56Å; R731-N884 PolarHBondContact NH2-O 2.87Å; V870-N884 PolarHBondContact O-OD1 2.99Å; W871-N884 WeakPolarHBondContact CA-OD1 3.4Å; W871-N884 HydrophobicContact CE3-CB 4.23Å; W871-N884 VanDerWaalsContact CE3-CG 3.42Å; W871-N884 HydrophobicContact CZ3-CB 4.03Å; W871-N884 VanDerWaalsContact CZ3-ND2 3.27Å; W871-N884 WeakPolarHBondContact CZ3-ND2 3.28Å; L872-N884 PolarHBondContact N-OD1 3.17Å; L872-N884 PolarHBondContact O-ND2 3.33Å; F881-N884 HydrophobicContact CB-CB 4.34Å; F881-N884 WeakPolarHBondContact CD2-ND2 3.36Å; N884-F886 PolarHBondContact O-N 2.65Å
885	G	95.5	Very high	94.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	63.7	22.3	-175.6	0	0	0	0	0	113.7	Y728 V870	Y728-G885 VanDerWaalsContact CE2-O 3.23Å; Y728-G885 WeakPolarHBondContact CE2-O 3.33Å; Y728-G885 PolarHBondContact OH-O 2.82Å; V870-G885 WeakPolarHBondContact O-CA 3.46Å; V870-G885 PolarHBondContact O-N 2.99Å
886	F	95.9	Very high	94.7	Very high	13 Å²	13	35.9 Å²	35.9	6%	0.057	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	159	-177.6	44.9	-95.9	0	0	0	112.2	L861 F869 V870 D883 N884 M888 V893 V895	L861-F886 HydrophobicContact CD1-CE2 4.09Å; L861-F886 HydrophobicContact CD1-CZ 3.73Å; F869-F886 CarbonylContact C-O 3.5Å; F869-F886 VanDerWaalsContact CA-O 3.24Å; F869-F886 WeakPolarHBondContact CA-O 3.42Å; F869-F886 PolarHBondContact N-O 3.34Å; V870-F886 HydrophobicContact CB-CD2 4.03Å; V870-F886 HydrophobicContact CB-CE2 3.71Å; V870-F886 HydrophobicContact CB-CZ 4.19Å; V870-F886 HydrophobicContact CG1-CE2 3.99Å; V870-F886 HydrophobicContact CG1-CZ 4.11Å; V870-F886 HydrophobicContact CG2-CD2 4.3Å; V870-F886 HydrophobicContact CG2-CE2 4.06Å; V870-F886 PolarHBondContact N-O 2.69Å; V870-F886 PolarHBondContact O-N 2.81Å; D883-F886 HydrophobicContact CB-CD1 4.1Å; D883-F886 HydrophobicContact CB-CE1 4.45Å; N884-F886 PolarHBondContact O-N 2.65Å; F886-M888 HydrophobicContact CD2-CB 4.2Å; F886-M888 HydrophobicContact CE2-CB 4.28Å; F886-V893 HydrophobicContact CE2-CG1 4.24Å; F886-V893 HydrophobicContact CZ-CG1 4.27Å; F886-V895 HydrophobicContact CE1-CG1 3.97Å; F886-V895 HydrophobicContact CZ-CG1 4.27Å
887	I	96.3	Very high	95.3	Very high	23 Å²	23	30.9 Å²	30.9	12%	0.118	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.9	162.6	-59.7	164.9	0	0	0	106.4	W772 I811 V826 L828 V867 F869 L889	W772-I887 HydrophobicContact CH2-CG2 3.8Å; W772-I887 HydrophobicContact CZ3-CG2 4.12Å; I811-I887 HydrophobicContact CD1-CG2 4.45Å; V826-I887 HydrophobicContact CG1-CD1 3.87Å; L828-I887 HydrophobicContact CD1-CD1 4.01Å; L828-I887 HydrophobicContact CD2-CD1 3.97Å; L828-I887 HydrophobicContact CG-CD1 4.05Å; V867-I887 CarbonylContact O-C 3.6Å; V867-I887 WeakPolarHBondContact O-CA 3.37Å; F869-I887 HydrophobicContact CD1-CG1 4.08Å; F869-I887 HydrophobicContact CE1-CD1 3.92Å; F869-I887 HydrophobicContact CE1-CG1 3.83Å; F869-I887 HydrophobicContact CZ-CD1 3.94Å; F869-I887 HydrophobicContact CZ-CG1 4.13Å; I887-L889 HydrophobicContact CG2-CD2 3.68Å; I887-L889 HydrophobicContact CG2-CG 4.18Å; I887-L889 PolarHBondContact O-N 3.24Å
888	M	95.8	Very high	95.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	104.3	-177.6	178.1	161.7	167.1	0	0	109.3	I843 L861 A863 P866 V867 V870 F886 Q890 V893	I843-M888 HydrophobicContact CD1-CE 4.48Å; I843-M888 HydrophobicContact CD1-SD 3.57Å; I843-M888 VanDerWaalsContact CD1-SD 3.57Å; L861-M888 HydrophobicContact CB-CE 4.35Å; L861-M888 HydrophobicContact CB-SD 4.25Å; A863-M888 HydrophobicContact CB-CE 4.17Å; P866-M888 VanDerWaalsContact CA-O 3.29Å; P866-M888 WeakPolarHBondContact CA-O 3.38Å; V867-M888 HydrophobicContact CB-CB 4.08Å; V867-M888 PolarHBondContact N-O 3.36Å; V867-M888 VanDerWaalsContact N-O 3.12Å; V867-M888 PolarHBondContact O-N 3.5Å; V870-M888 HydrophobicContact CG2-CB 3.98Å; F886-M888 HydrophobicContact CD2-CB 4.2Å; F886-M888 HydrophobicContact CE2-CB 4.28Å; M888-Q890 WeakPolarHBondContact CE-O 3.48Å; M888-Q890 VanDerWaalsContact CG-O 3.24Å; M888-Q890 WeakPolarHBondContact CG-O 3.33Å; M888-V893 HydrophobicContact CE-CB 4.35Å; M888-V893 HydrophobicContact CE-CG2 4.17Å; M888-V893 HydrophobicContact CG-CG2 3.81Å; M888-V893 HydrophobicContact SD-CB 4.28Å; M888-V893 HydrophobicContact SD-CG2 4.11Å
889	L	94.6	Very high	95.7	Very high	33 Å²	33	31.3 Å²	31.3	17%	0.173	17%	0.169	C	C	.	.			trans	-100.8	13.7	-179.7	-59	-177.1	0	0	0	113.5	F775 I811 V826 P866 I887	F775-L889 WeakPolarHBondContact CD1-O 3.47Å; F775-L889 VanDerWaalsContact CE1-C 3.49Å; I811-L889 HydrophobicContact CD1-CD2 3.83Å; I811-L889 HydrophobicContact CG2-CD1 4.29Å; I811-L889 HydrophobicContact CG2-CD2 4.24Å; V826-L889 HydrophobicContact CG1-CD1 4.41Å; V826-L889 HydrophobicContact CG2-CD1 3.78Å; P866-L889 HydrophobicContact CB-CD2 4.18Å; I887-L889 HydrophobicContact CG2-CD2 3.68Å; I887-L889 HydrophobicContact CG2-CG 4.18Å; I887-L889 PolarHBondContact O-N 3.24Å
890	Q	93.1	Very high	95.6	Very high	132 Å²	132	32.8 Å²	32.8	62%	0.617	17%	0.172	S	C	*	.	S	Bend	trans	-133.4	146.1	178.1	-64.4	178.1	-6.6	0	0	108.8	F775 M888 K892 V893	F775-Q890 VanDerWaalsContact CE1-C 3.48Å; F775-Q890 VanDerWaalsContact CZ-C 3.44Å; F775-Q890 WeakPolarHBondContact CZ-O 3.45Å; M888-Q890 WeakPolarHBondContact CE-O 3.48Å; M888-Q890 VanDerWaalsContact CG-O 3.24Å; M888-Q890 WeakPolarHBondContact CG-O 3.33Å; Q890-K892 PolarHBondContact O-N 3.03Å; Q890-V893 HydrophobicContact CB-CG2 4.2Å
891	S	94	Very high	95.1	Very high	73 Å²	73	36.9 Å²	36.9	51%	0.51	20%	0.195	S	C	.	.	S	Bend	trans	-68.1	-17.2	-178.3	54.9	0	0	0	0	114.5	F775 S862 A863	F775-S891 VanDerWaalsContact CE2-CA 3.47Å; S862-S891 VanDerWaalsContact CA-O 3.24Å; S862-S891 WeakPolarHBondContact CA-O 3.47Å; A863-S891 PolarHBondContact N-O 2.81Å; A863-S891 VanDerWaalsContact O-CA 3.3Å; A863-S891 WeakPolarHBondContact O-CA 3.4Å; A863-S891 WeakPolarHBondContact O-CB 3.49Å
892	K	96	Very high	94.6	Very high	98 Å²	98	38 Å²	38	43%	0.426	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135	169.2	-172.6	166.5	-170.9	162.8	0	110.5	L861 Q890	L861-K892 VanDerWaalsContact O-CA 3.29Å; L861-K892 WeakPolarHBondContact O-CA 3.17Å; L861-K892 WeakPolarHBondContact O-CG 3.45Å; Q890-K892 PolarHBondContact O-N 3.03Å
893	V	95.8	Very high	94.2	Very high	30 Å²	30	40.5 Å²	40.5	18%	0.182	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.6	175.2	172.6	0	0	0	0	108.7	S860 L861 F886 M888 Q890 V895	S860-V893 CarbonylContact C-O 3.02Å; S860-V893 WeakPolarHBondContact CA-O 3.5Å; L861-V893 PolarHBondContact N-O 3.35Å; L861-V893 PolarHBondContact O-N 3.38Å; F886-V893 HydrophobicContact CE2-CG1 4.24Å; F886-V893 HydrophobicContact CZ-CG1 4.27Å; M888-V893 HydrophobicContact CE-CB 4.35Å; M888-V893 HydrophobicContact CE-CG2 4.17Å; M888-V893 HydrophobicContact CG-CG2 3.81Å; M888-V893 HydrophobicContact SD-CB 4.28Å; M888-V893 HydrophobicContact SD-CG2 4.11Å; Q890-V893 HydrophobicContact CB-CG2 4.2Å; V893-V895 HydrophobicContact CG1-CG1 4.29Å
894	T	96.6	Very high	93.8	Very high	69 Å²	69	40.4 Å²	40.4	42%	0.423	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.3	175.2	-57.6	0	0	0	0	110.2	Q858 V859 S860	Q858-T894 HydrophobicContact CB-CG2 4.23Å; V859-T894 WeakPolarHBondContact O-CA 3.43Å; S860-T894 WeakPolarHBondContact OG-CG2 3.39Å; S860-T894 PolarHBondContact OG-OG1 3.06Å
895	V	96.5	Very high	93.4	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	154.9	175.9	-63.7	0	0	0	0	110.9	V859 L872 F881 S882 D883 F886 V893	V859-V895 HydrophobicContact CB-CG2 4.15Å; V859-V895 PolarHBondContact N-O 3.3Å; V859-V895 PolarHBondContact O-N 3.42Å; L872-V895 HydrophobicContact CD1-CG2 3.54Å; F881-V895 HydrophobicContact CD1-CG2 4.02Å; S882-V895 WeakPolarHBondContact OG-CA 3.22Å; S882-V895 WeakPolarHBondContact OG-CB 3.49Å; D883-V895 HydrophobicContact CB-CG1 4.36Å; F886-V895 HydrophobicContact CE1-CG1 3.97Å; F886-V895 HydrophobicContact CZ-CG1 4.27Å; V893-V895 HydrophobicContact CG1-CG1 4.29Å
896	T	96.9	Very high	93.1	Very high	20 Å²	20	44.8 Å²	44.8	12%	0.123	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.9	175.3	-55.8	0	0	0	0	110.4	H856 F857 Q858 F881 S882 Y898	H856-T896 HydrophobicContact CB-CG2 4.01Å; F857-T896 CarbonylContact O-C 3.59Å; F857-T896 VanDerWaalsContact O-CA 3.26Å; F857-T896 WeakPolarHBondContact O-CA 3.38Å; Q858-T896 PolarHBondContact NE2-OG1 3.04Å; Q858-T896 PolarHBondContact OE1-OG1 3.41Å; F881-T896 CarbonylContact C-O 3.59Å; F881-T896 VanDerWaalsContact CA-O 3.27Å; F881-T896 WeakPolarHBondContact CA-O 3.3Å; S882-T896 PolarHBondContact N-O 2.6Å; S882-T896 PolarHBondContact OG-N 3.3Å; T896-Y898 HydrophobicContact CG2-CD1 3.95Å; T896-Y898 HydrophobicContact CG2-CE1 3.56Å; T896-Y898 HydrophobicContact CG2-CE2 4.27Å; T896-Y898 HydrophobicContact CG2-CG 4.44Å
897	F	96.8	Very high	92.8	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.5	163.7	-175.6	-114.1	0	0	0	110.1	H856 F857 V874 V877 Y880 F881 A899 I908	H856-F897 WeakPolarHBondContact CA-O 3.27Å; F857-F897 HydrophobicContact CB-CB 4.43Å; F857-F897 HydrophobicContact CD2-CD1 4.25Å; F857-F897 PolarHBondContact N-O 3.45Å; F857-F897 PolarHBondContact O-N 2.63Å; V874-F897 HydrophobicContact CB-CE1 4.19Å; V874-F897 HydrophobicContact CB-CE2 4.36Å; V874-F897 HydrophobicContact CB-CZ 3.91Å; V874-F897 HydrophobicContact CG1-CE1 4.44Å; V874-F897 HydrophobicContact CG2-CD1 4.19Å; V874-F897 HydrophobicContact CG2-CD2 4.18Å; V874-F897 HydrophobicContact CG2-CE1 3.95Å; V874-F897 HydrophobicContact CG2-CE2 3.94Å; V874-F897 HydrophobicContact CG2-CG 4.3Å; V874-F897 HydrophobicContact CG2-CZ 3.83Å; V877-F897 HydrophobicContact CB-CZ 4.43Å; V877-F897 HydrophobicContact CG1-CE1 3.85Å; V877-F897 HydrophobicContact CG1-CZ 4.01Å; Y880-F897 WeakPolarHBondContact O-CD2 3.29Å; F881-F897 HydrophobicContact CD1-CB 3.86Å; F881-F897 AromaticContact CD1-CD2 3.92Å; F881-F897 HydrophobicContact CD1-CD2 3.92Å; F881-F897 HydrophobicContact CD1-CG 4.35Å; F881-F897 AromaticContact CD2-CD2 3.82Å; F881-F897 HydrophobicContact CD2-CD2 3.82Å; F881-F897 HydrophobicContact CD2-CE2 4.29Å; F881-F897 HydrophobicContact CE1-CB 3.78Å; F881-F897 AromaticContact CE1-CD2 3.79Å; F881-F897 HydrophobicContact CE1-CD2 3.79Å; F881-F897 HydrophobicContact CE1-CG 4.09Å; F881-F897 AromaticContact CE2-CD2 3.67Å; F881-F897 HydrophobicContact CE2-CD2 3.67Å; F881-F897 AromaticContact CE2-CE2 3.98Å; F881-F897 HydrophobicContact CE2-CE2 3.98Å; F881-F897 AromaticContact CG-CD2 3.94Å; F881-F897 HydrophobicContact CG-CD2 3.94Å; F881-F897 HydrophobicContact CZ-CB 4.44Å; F881-F897 AromaticContact CZ-CD2 3.67Å; F881-F897 HydrophobicContact CZ-CD2 3.67Å; F881-F897 HydrophobicContact CZ-CE2 4.25Å; F881-F897 HydrophobicContact CZ-CG 4.26Å; F897-A899 HydrophobicContact CD1-CB 4.08Å; F897-A899 HydrophobicContact CE1-CB 3.71Å; F897-I908 HydrophobicContact CD1-CD1 4.04Å; F897-I908 HydrophobicContact CD1-CG2 4.42Å; F897-I908 HydrophobicContact CE1-CD1 3.79Å
898	Y	95.3	Very high	92.5	Very high	53 Å²	53	44.4 Å²	44.4	21%	0.208	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	84.9	-179.4	-57	-79.4	0	0	0	109.9	H856 G879 Y880 T896	H856-Y898 AromaticContact CD2-CD1 3.77Å; H856-Y898 AromaticContact CE1-CD1 3.59Å; H856-Y898 AromaticContact CE1-CE1 3.75Å; H856-Y898 AromaticContact CG-CD1 3.83Å; H856-Y898 AromaticContact ND1-CD1 3.7Å; H856-Y898 AromaticContact ND1-CE1 3.69Å; H856-Y898 AromaticContact NE2-CD1 3.61Å; G879-Y898 WeakPolarHBondContact CA-O 3.45Å; Y880-Y898 AromaticContact CD2-CD2 3.56Å; Y880-Y898 HydrophobicContact CD2-CD2 3.56Å; Y880-Y898 HydrophobicContact CD2-CE2 4.35Å; Y880-Y898 HydrophobicContact CD2-CG 4.29Å; Y880-Y898 AromaticContact CE2-CD2 3.35Å; Y880-Y898 HydrophobicContact CE2-CD2 3.35Å; Y880-Y898 HydrophobicContact CE2-CE2 4.06Å; Y880-Y898 AromaticContact CE2-CG 3.83Å; Y880-Y898 HydrophobicContact CE2-CG 3.83Å; Y880-Y898 PolarHBondContact N-O 3.16Å; Y880-Y898 WeakPolarHBondContact O-CD2 3.2Å; Y880-Y898 PolarHBondContact O-N 3.48Å; T896-Y898 HydrophobicContact CG2-CD1 3.95Å; T896-Y898 HydrophobicContact CG2-CE1 3.56Å; T896-Y898 HydrophobicContact CG2-CE2 4.27Å; T896-Y898 HydrophobicContact CG2-CG 4.44Å
899	A	94.3	Very high	92.2	Very high	5 Å²	5	46.1 Å²	46.1	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.1	178	0	0	0	0	0	110.9	R855 F857 V877 F897 V902 I908	R855-A899 HydrophobicContact CB-CB 4.22Å; R855-A899 WeakPolarHBondContact CB-O 3.33Å; R855-A899 WeakPolarHBondContact O-CB 3.29Å; R855-A899 PolarHBondContact O-N 2.85Å; F857-A899 HydrophobicContact CD2-CB 4.37Å; F857-A899 HydrophobicContact CE2-CB 3.94Å; V877-A899 HydrophobicContact CG1-CB 4.19Å; F897-A899 HydrophobicContact CD1-CB 4.08Å; F897-A899 HydrophobicContact CE1-CB 3.71Å; A899-V902 WeakPolarHBondContact CB-O 3.29Å; A899-I908 HydrophobicContact CB-CD1 4.5Å
900	K	91.2	Very high	91.9	Very high	43 Å²	43	48.8 Å²	48.8	19%	0.187	26%	0.257	C	S	.	.	S	Bend	trans	-100.2	-40.4	177.7	-57.2	-68	177.2	171	0	111.6	F410 E413 R855 T878 Y880	F410-K900 HydrophobicContact CD2-CG 4.06Å; F410-K900 HydrophobicContact CE2-CG 3.96Å; E413-K900 IonicContact OE1-NZ 3.61Å; E413-K900 PolarHBondContact OE1-NZ 3.25Å; E413-K900 IonicContact OE2-NZ 2.81Å; E413-K900 PolarHBondContact OE2-NZ 3.03Å; R855-K900 PolarHBondContact NH1-O 2.84Å; T878-K900 WeakPolarHBondContact O-CB 3.38Å; T878-K900 PolarHBondContact O-N 2.95Å; Y880-K900 PolarHBondContact OH-NZ 3.33Å
901	N	87.2	Confident	91.7	Very high	95 Å²	95	46.8 Å²	46.8	51%	0.508	24%	0.244	S	C	.	.	S	Bend	trans	-108.2	-2.9	-173.3	69	-25.1	0	0	0	115.7	V877 T878	V877-N901 WeakPolarHBondContact CG1-OD1 3.3Å; T878-N901 PolarHBondContact N-OD1 3.14Å
902	V	86.4	Confident	91.7	Very high	26 Å²	26	43.3 Å²	43.3	16%	0.158	22%	0.219	C	C	.	.			trans	-130.4	145.7	180	173.7	0	0	0	0	110.2	R855 V877 A899 V907 I908	R855-V902 WeakPolarHBondContact CB-O 3.21Å; V877-V902 HydrophobicContact CG1-CB 3.98Å; V877-V902 HydrophobicContact CG1-CG2 3.94Å; V877-V902 HydrophobicContact CG2-CG2 4.03Å; A899-V902 WeakPolarHBondContact CB-O 3.29Å; V902-V907 HydrophobicContact CG1-CB 4.1Å; V902-V907 HydrophobicContact CG1-CG1 3.9Å; V902-I908 HydrophobicContact CG1-CD1 4.09Å
903	N	87.5	Confident	91.4	Very high	87 Å²	87	39.1 Å²	39.1	47%	0.465	20%	0.202	S	C	.	.			trans	-131.7	8.4	176	-163.7	33.1	0	0	0	113.2	E854 R855	E854-N903 WeakPolarHBondContact CG-ND2 3.44Å; R855-N903 WeakPolarHBondContact CA-OD1 3.24Å; R855-N903 HydrophobicContact CG-CB 3.98Å; R855-N903 PolarHBondContact N-OD1 3Å
904	D	87.4	Confident	91.3	Very high	39 Å²	39	38.1 Å²	38.1	21%	0.209	20%	0.196	C	C	.	.			trans	-97.3	120	-179.6	-177.7	-2.2	0	0	0	110.6	N906 V907 I908	D904-N906 VanDerWaalsContact C-N 3.26Å; D904-N906 PolarHBondContact O-N 3.12Å; D904-N906 WeakPolarHBondContact OD1-CB 3.42Å; D904-N906 PolarHBondContact OD1-N 2.89Å; D904-V907 HydrophobicContact CB-CB 4.14Å; D904-V907 HydrophobicContact CB-CG2 3.97Å; D904-V907 PolarHBondContact O-N 2.83Å; D904-V907 WeakPolarHBondContact OD2-CG2 3.24Å; D904-I908 WeakPolarHBondContact O-CG1 3.49Å; D904-I908 PolarHBondContact O-N 3.32Å
905	L	89.1	Confident	91.1	Very high	35 Å²	35	35 Å²	35	18%	0.183	18%	0.176	C	C	.	.	H	α-helix	trans	-58.5	-35.6	177.3	-179.6	68.2	0	0	0	112.6	V848 V850 F857 I908 K909	V848-L905 HydrophobicContact CG1-CD1 3.92Å; V850-L905 HydrophobicContact CG2-CB 4.41Å; V850-L905 HydrophobicContact CG2-CD1 4.27Å; V850-L905 HydrophobicContact CG2-CD2 3.96Å; V850-L905 HydrophobicContact CG2-CG 4.45Å; F857-L905 HydrophobicContact CD1-CD1 3.7Å; F857-L905 HydrophobicContact CE1-CB 4.11Å; F857-L905 HydrophobicContact CE1-CD1 4.14Å; L905-I908 PolarHBondContact O-N 2.93Å; L905-K909 HydrophobicContact CG-CD 4.18Å; L905-K909 WeakPolarHBondContact O-CG 3.16Å; L905-K909 PolarHBondContact O-N 2.93Å
906	N	88.9	Confident	90.9	Very high	56 Å²	56	34.8 Å²	34.8	30%	0.299	18%	0.175	S	C	.	.	H	α-helix	trans	-69	-46.1	-178.3	-61.9	-20.2	0	0	0	109.8	D904 I908 K909 D910	D904-N906 VanDerWaalsContact C-N 3.26Å; D904-N906 PolarHBondContact O-N 3.12Å; D904-N906 WeakPolarHBondContact OD1-CB 3.42Å; D904-N906 PolarHBondContact OD1-N 2.89Å; N906-I908 PolarHBondContact O-N 3.39Å; N906-K909 WeakPolarHBondContact O-CB 3.49Å; N906-K909 PolarHBondContact O-N 3.13Å; N906-D910 WeakPolarHBondContact O-CB 3.34Å; N906-D910 PolarHBondContact O-N 2.85Å
907	V	88	Confident	90.7	Very high	29 Å²	29	33.8 Å²	33.8	18%	0.176	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-28.5	174.5	176.5	0	0	0	0	112.9	V902 D904 R911	V902-V907 HydrophobicContact CG1-CB 4.1Å; V902-V907 HydrophobicContact CG1-CG1 3.9Å; D904-V907 HydrophobicContact CB-CB 4.14Å; D904-V907 HydrophobicContact CB-CG2 3.97Å; D904-V907 PolarHBondContact O-N 2.83Å; D904-V907 WeakPolarHBondContact OD2-CG2 3.24Å; V907-R911 WeakPolarHBondContact O-CB 3.49Å; V907-R911 VanDerWaalsContact O-CG 3.28Å; V907-R911 WeakPolarHBondContact O-CG 3.42Å
908	I	90.4	Very high	90.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-74.3	-44.9	171	-58.3	-53.7	0	0	0	111.2	V848 F857 V874 V877 F897 A899 V902 D904 L905 N906 R911 L912	V848-I908 HydrophobicContact CG1-CG2 4.17Å; F857-I908 HydrophobicContact CD1-CG1 4.19Å; F857-I908 HydrophobicContact CD2-CD1 4.35Å; F857-I908 HydrophobicContact CD2-CG1 3.77Å; F857-I908 HydrophobicContact CE1-CG1 4.06Å; F857-I908 HydrophobicContact CE2-CD1 4.13Å; F857-I908 HydrophobicContact CE2-CG1 3.63Å; F857-I908 HydrophobicContact CG-CG1 4.04Å; F857-I908 HydrophobicContact CG-CG2 4.41Å; F857-I908 HydrophobicContact CZ-CG1 3.78Å; V874-I908 HydrophobicContact CG1-CD1 4.05Å; V874-I908 HydrophobicContact CG2-CG2 4.48Å; V877-I908 HydrophobicContact CG1-CD1 4.18Å; V877-I908 HydrophobicContact CG2-CD1 4.42Å; F897-I908 HydrophobicContact CD1-CD1 4.04Å; F897-I908 HydrophobicContact CD1-CG2 4.42Å; F897-I908 HydrophobicContact CE1-CD1 3.79Å; A899-I908 HydrophobicContact CB-CD1 4.5Å; V902-I908 HydrophobicContact CG1-CD1 4.09Å; D904-I908 WeakPolarHBondContact O-CG1 3.49Å; D904-I908 PolarHBondContact O-N 3.32Å; L905-I908 PolarHBondContact O-N 2.93Å; N906-I908 PolarHBondContact O-N 3.39Å; I908-R911 PolarHBondContact O-N 2.92Å; I908-L912 WeakPolarHBondContact O-CB 3.48Å; I908-L912 PolarHBondContact O-N 3.49Å
909	K	90.3	Very high	90.1	Very high	38 Å²	38	31.5 Å²	31.5	17%	0.165	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-55.1	178.8	-76.6	173	174.9	-178.6	0	112.3	V848 L905 N906 R911 L912 Y931	V848-K909 HydrophobicContact CB-CD 4.49Å; V848-K909 HydrophobicContact CB-CG 3.81Å; V848-K909 HydrophobicContact CG1-CG 4.19Å; V848-K909 HydrophobicContact CG2-CG 4.24Å; V848-K909 WeakPolarHBondContact O-CE 3.44Å; V848-K909 PolarHBondContact O-NZ 2.99Å; L905-K909 HydrophobicContact CG-CD 4.18Å; L905-K909 WeakPolarHBondContact O-CG 3.16Å; L905-K909 PolarHBondContact O-N 2.93Å; N906-K909 WeakPolarHBondContact O-CB 3.49Å; N906-K909 PolarHBondContact O-N 3.13Å; K909-R911 PolarHBondContact O-N 2.84Å; K909-L912 PolarHBondContact O-N 3.48Å; K909-L912 VanDerWaalsContact O-N 3.13Å; K909-Y931 HydrophobicContact CB-CE2 4.19Å; K909-Y931 HydrophobicContact CD-CE2 4.33Å
910	D	87.9	Confident	89.6	Confident	88 Å²	88	31.4 Å²	31.4	47%	0.471	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.8	-174.6	-56.6	-21.4	0	0	0	113.4	N906	N906-D910 WeakPolarHBondContact O-CB 3.34Å; N906-D910 PolarHBondContact O-N 2.85Å
911	R	89.5	Confident	89.3	Confident	91 Å²	91	30.2 Å²	30.2	34%	0.343	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-0.7	-178.3	-56.1	-167.7	-167.1	173.9	4.2	114.1	V874 A875 N876 V907 I908 K909 T913	V874-R911 WeakPolarHBondContact CA-O 3.43Å; V874-R911 HydrophobicContact CG1-CB 3.99Å; A875-R911 PolarHBondContact N-O 2.8Å; A875-R911 WeakPolarHBondContact O-CD 3.44Å; A875-R911 PolarHBondContact O-NH1 2.89Å; N876-R911 PolarHBondContact O-NH1 3.19Å; N876-R911 VanDerWaalsContact O-NH1 3.13Å; V907-R911 WeakPolarHBondContact O-CB 3.49Å; V907-R911 VanDerWaalsContact O-CG 3.28Å; V907-R911 WeakPolarHBondContact O-CG 3.42Å; I908-R911 PolarHBondContact O-N 2.92Å; K909-R911 PolarHBondContact O-N 2.84Å; R911-T913 PolarHBondContact O-N 3.12Å
912	L	93	Very high	88.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.1	176.2	-179.4	62.5	0	0	0	109	V846 V848 V859 L872 V874 F881 I908 K909 Q929	V846-L912 HydrophobicContact CG1-CD2 3.77Å; V848-L912 HydrophobicContact CG2-CD2 3.49Å; V848-L912 VanDerWaalsContact CG2-CD2 3.49Å; V859-L912 HydrophobicContact CG1-CD2 3.82Å; V859-L912 HydrophobicContact CG2-CD2 4.23Å; L872-L912 HydrophobicContact CB-CD1 4.39Å; V874-L912 HydrophobicContact CG2-CD1 4.05Å; F881-L912 HydrophobicContact CE1-CD1 4.28Å; F881-L912 HydrophobicContact CZ-CD1 3.88Å; I908-L912 WeakPolarHBondContact O-CB 3.48Å; I908-L912 PolarHBondContact O-N 3.49Å; K909-L912 PolarHBondContact O-N 3.48Å; K909-L912 VanDerWaalsContact O-N 3.13Å; L912-Q929 PolarHBondContact O-N 2.75Å
913	T	91.3	Very high	87.6	Confident	10 Å²	10	30.3 Å²	30.3	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.4	175.1	71.5	0	0	0	0	109.4	L872 D873 R911 M926 V927 V928	L872-T913 WeakPolarHBondContact CA-O 3.43Å; D873-T913 PolarHBondContact N-O 2.75Å; D873-T913 PolarHBondContact O-N 2.91Å; D873-T913 PolarHBondContact O-OG1 3.1Å; R911-T913 PolarHBondContact O-N 3.12Å; T913-M926 HydrophobicContact CG2-CE 4.35Å; T913-M926 VanDerWaalsContact OG1-CE 3.27Å; T913-M926 WeakPolarHBondContact OG1-CE 3.34Å; T913-V927 CarbonylContact C-O 3.57Å; T913-V927 WeakPolarHBondContact CA-O 3.39Å; T913-V928 HydrophobicContact CG2-CB 4.21Å; T913-V928 HydrophobicContact CG2-CG1 4.17Å; T913-V928 HydrophobicContact CG2-CG2 3.9Å
914	V	92.6	Very high	85.8	Confident	8 Å²	8	27.9 Å²	27.9	5%	0.048	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.5	174.5	-174	0	0	0	0	108.9	I843 V846 V870 W871 L872 V927	I843-V914 HydrophobicContact CB-CG1 4.19Å; I843-V914 HydrophobicContact CG1-CG1 3.89Å; V846-V914 HydrophobicContact CG2-CG2 3.89Å; V870-V914 HydrophobicContact CG1-CG1 4.45Å; W871-V914 CarbonylContact O-C 3.52Å; W871-V914 WeakPolarHBondContact O-CA 3.48Å; L872-V914 HydrophobicContact CD2-CB 4.32Å; L872-V914 HydrophobicContact CD2-CG1 4.07Å; L872-V914 HydrophobicContact CD2-CG2 3.63Å; V914-V927 PolarHBondContact N-O 3.03Å; V914-V927 PolarHBondContact O-N 3.26Å
915	L	91.8	Very high	83.7	Confident	3 Å²	3	28.9 Å²	28.9	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	140.7	176.1	-178.9	68.7	0	0	0	109.7	W660 F664 W871 D919 V920 M926	W660-L915 HydrophobicContact CE3-CD1 4.26Å; W660-L915 HydrophobicContact CE3-CD2 3.79Å; W660-L915 HydrophobicContact CH2-CD1 3.92Å; W660-L915 HydrophobicContact CZ3-CD1 3.42Å; W660-L915 VanDerWaalsContact CZ3-CD1 3.42Å; W660-L915 HydrophobicContact CZ3-CD2 3.66Å; W660-L915 HydrophobicContact CZ3-CG 4.18Å; F664-L915 HydrophobicContact CB-CD2 3.99Å; F664-L915 HydrophobicContact CD2-CD2 3.53Å; F664-L915 HydrophobicContact CD2-CG 4.29Å; F664-L915 HydrophobicContact CE2-CD2 4.1Å; F664-L915 HydrophobicContact CE2-CG 4.38Å; F664-L915 HydrophobicContact CG-CD2 3.81Å; W871-L915 HydrophobicContact CB-CB 4.47Å; W871-L915 PolarHBondContact N-O 2.91Å; W871-L915 PolarHBondContact O-N 3.08Å; L915-D919 HydrophobicContact CD1-CB 3.63Å; L915-V920 HydrophobicContact CD1-CG2 4.18Å; L915-V920 HydrophobicContact CD2-CG2 4.27Å; L915-V920 HydrophobicContact CG-CG2 4.33Å; L915-M926 HydrophobicContact CB-CG 4.3Å; L915-M926 HydrophobicContact CD1-CG 3.99Å; L915-M926 HydrophobicContact CD2-CG 4.05Å; L915-M926 HydrophobicContact CG-CG 4.34Å
916	T	94	Very high	81.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.			trans	-124.3	168.8	174.6	68.7	0	0	0	0	110.7	N842 I843 V867 S918 D919 V920	N842-T916 PolarHBondContact OD1-OG1 2.87Å; I843-T916 HydrophobicContact CG1-CG2 4.38Å; V867-T916 HydrophobicContact CG1-CG2 3.49Å; V867-T916 VanDerWaalsContact CG1-CG2 3.49Å; T916-S918 PolarHBondContact O-N 2.97Å; T916-S918 PolarHBondContact OG1-N 2.85Å; T916-D919 WeakPolarHBondContact CB-OD2 3.07Å; T916-D919 PolarHBondContact N-OD2 2.85Å; T916-D919 PolarHBondContact O-N 2.73Å; T916-D919 VanDerWaalsContact OG1-CG 3.23Å; T916-D919 PolarHBondContact OG1-N 3.07Å; T916-D919 VanDerWaalsContact OG1-N 3.14Å; T916-D919 PolarHBondContact OG1-OD2 2.55Å; T916-V920 WeakPolarHBondContact O-CG2 3.14Å; T916-V920 PolarHBondContact O-N 3.38Å
917	L	92	Very high	78.6	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-29.9	171.8	-173.7	62.8	0	0	0	112.2	F638 F664 L665 L832 L840 A868 F869 V920 Y921	F638-L917 HydrophobicContact CD1-CD1 3.84Å; F638-L917 HydrophobicContact CD1-CD2 4.23Å; F638-L917 HydrophobicContact CE1-CD1 4.2Å; F638-L917 HydrophobicContact CE1-CD2 4.27Å; F664-L917 HydrophobicContact CE1-CD1 4.11Å; L665-L917 HydrophobicContact CD2-CD1 3.89Å; L832-L917 HydrophobicContact CB-CD2 4.33Å; L832-L917 HydrophobicContact CD1-CD2 4.07Å; L832-L917 HydrophobicContact CD2-CD2 4.25Å; L832-L917 HydrophobicContact CG-CD2 4.46Å; L840-L917 HydrophobicContact CD1-CD2 3.98Å; L840-L917 HydrophobicContact CD1-CG 4.07Å; A868-L917 HydrophobicContact CB-CB 4.08Å; A868-L917 HydrophobicContact CB-CD2 4.43Å; A868-L917 PolarHBondContact O-N 2.99Å; F869-L917 HydrophobicContact CD2-CB 4.2Å; F869-L917 HydrophobicContact CD2-CD2 3.9Å; F869-L917 HydrophobicContact CE2-CD2 4.16Å; L917-V920 PolarHBondContact O-N 3.34Å; L917-Y921 HydrophobicContact CD1-CD1 4.03Å; L917-Y921 HydrophobicContact CD1-CE1 3.55Å; L917-Y921 HydrophobicContact CD2-CE1 4.49Å; L917-Y921 HydrophobicContact CG-CD1 4.27Å; L917-Y921 HydrophobicContact CG-CE1 3.93Å; L917-Y921 HydrophobicContact CG-CE2 4.5Å; L917-Y921 WeakPolarHBondContact O-CB 3.06Å; L917-Y921 WeakPolarHBondContact O-CD1 3.33Å; L917-Y921 PolarHBondContact O-N 3.31Å
918	S	91.2	Very high	75.8	Confident	2 Å²	2	31 Å²	31	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-45	173.6	165.5	0	0	0	0	111.9	A837 G841 N842 T916 V920 Y921 N922	A837-S918 WeakPolarHBondContact O-CB 3.22Å; A837-S918 PolarHBondContact O-OG 3.46Å; G841-S918 WeakPolarHBondContact O-CB 3.5Å; N842-S918 WeakPolarHBondContact OD1-CB 3.47Å; N842-S918 PolarHBondContact OD1-OG 3.41Å; T916-S918 PolarHBondContact O-N 2.97Å; T916-S918 PolarHBondContact OG1-N 2.85Å; S918-V920 VanDerWaalsContact C-N 3.31Å; S918-V920 PolarHBondContact O-N 3.09Å; S918-Y921 PolarHBondContact O-N 3.25Å; S918-Y921 VanDerWaalsContact O-N 3.09Å; S918-N922 WeakPolarHBondContact O-CB 3.17Å; S918-N922 PolarHBondContact O-N 2.81Å; S918-N922 PolarHBondContact O-ND2 3.3Å; S918-N922 PolarHBondContact OG-ND2 2.8Å
919	D	87.2	Confident	72.9	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-40.1	177.1	-60	-53.2	0	0	0	112	N842 L915 T916 Y921 G923 A924	N842-D919 PolarHBondContact ND2-OD1 3.03Å; L915-D919 HydrophobicContact CD1-CB 3.63Å; T916-D919 WeakPolarHBondContact CB-OD2 3.07Å; T916-D919 PolarHBondContact N-OD2 2.85Å; T916-D919 PolarHBondContact O-N 2.73Å; T916-D919 VanDerWaalsContact OG1-CG 3.23Å; T916-D919 PolarHBondContact OG1-N 3.07Å; T916-D919 VanDerWaalsContact OG1-N 3.14Å; T916-D919 PolarHBondContact OG1-OD2 2.55Å; D919-Y921 VanDerWaalsContact C-N 3.34Å; D919-Y921 PolarHBondContact O-N 2.64Å; D919-G923 PolarHBondContact O-N 3.28Å; D919-A924 HydrophobicContact CB-CB 4.32Å; D919-A924 PolarHBondContact O-N 2.94Å
920	V	85.4	Confident	69.9	Low	3 Å²	3	37 Å²	37	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-42.3	174.2	177.8	0	0	0	0	111.2	W660 R661 F664 L665 L915 T916 L917 S918 G923	W660-V920 HydrophobicContact CZ3-CG2 3.9Å; R661-V920 HydrophobicContact CB-CG1 4.43Å; R661-V920 HydrophobicContact CG-CG1 4.38Å; F664-V920 HydrophobicContact CD1-CG2 3.64Å; F664-V920 HydrophobicContact CE1-CG2 3.85Å; F664-V920 HydrophobicContact CG-CG2 4.25Å; L665-V920 HydrophobicContact CD1-CG1 3.9Å; L665-V920 HydrophobicContact CD2-CG1 4.18Å; L665-V920 HydrophobicContact CG-CG1 4.08Å; L915-V920 HydrophobicContact CD1-CG2 4.18Å; L915-V920 HydrophobicContact CD2-CG2 4.27Å; L915-V920 HydrophobicContact CG-CG2 4.33Å; T916-V920 WeakPolarHBondContact O-CG2 3.14Å; T916-V920 PolarHBondContact O-N 3.38Å; L917-V920 PolarHBondContact O-N 3.34Å; S918-V920 VanDerWaalsContact C-N 3.31Å; S918-V920 PolarHBondContact O-N 3.09Å; V920-G923 PolarHBondContact O-N 3.33Å
921	Y	84.5	Confident	67	Low	18 Å²	18	40 Å²	40	7%	0.071	21%	0.213	C	C	.	.	H	α-helix	trans	-76.6	-34.8	-177.6	-80.5	17.1	0	0	0	114.1	F638 R639 I641 L832 L840 L917 S918 D919 G923	F638-Y921 WeakPolarHBondContact CA-OH 3.4Å; F638-Y921 HydrophobicContact CB-CE1 4.39Å; R639-Y921 HydrophobicContact CB-CD1 3.93Å; R639-Y921 HydrophobicContact CB-CD2 4.3Å; R639-Y921 HydrophobicContact CB-CE1 3.66Å; R639-Y921 HydrophobicContact CB-CE2 4.05Å; R639-Y921 HydrophobicContact CB-CG 4.24Å; R639-Y921 HydrophobicContact CG-CD2 4.24Å; R639-Y921 HydrophobicContact CG-CE1 4.27Å; R639-Y921 HydrophobicContact CG-CE2 3.79Å; R639-Y921 PolarHBondContact N-OH 2.91Å; R639-Y921 VanDerWaalsContact N-OH 3.1Å; I641-Y921 WeakPolarHBondContact CD1-O 3.08Å; L832-Y921 VanDerWaalsContact O-CE2 3.23Å; L832-Y921 WeakPolarHBondContact O-CE2 3.46Å; L832-Y921 PolarHBondContact O-OH 3.49Å; L840-Y921 HydrophobicContact CD1-CD2 3.61Å; L840-Y921 HydrophobicContact CD1-CE2 3.54Å; L917-Y921 HydrophobicContact CD1-CD1 4.03Å; L917-Y921 HydrophobicContact CD1-CE1 3.55Å; L917-Y921 HydrophobicContact CD2-CE1 4.49Å; L917-Y921 HydrophobicContact CG-CD1 4.27Å; L917-Y921 HydrophobicContact CG-CE1 3.93Å; L917-Y921 HydrophobicContact CG-CE2 4.5Å; L917-Y921 WeakPolarHBondContact O-CB 3.06Å; L917-Y921 WeakPolarHBondContact O-CD1 3.33Å; L917-Y921 PolarHBondContact O-N 3.31Å; S918-Y921 PolarHBondContact O-N 3.25Å; S918-Y921 VanDerWaalsContact O-N 3.09Å; D919-Y921 VanDerWaalsContact C-N 3.34Å; D919-Y921 PolarHBondContact O-N 2.64Å; Y921-G923 PolarHBondContact O-N 3.3Å
922	N	77.1	Confident	64.3	Low	101 Å²	101	41.6 Å²	41.6	54%	0.54	23%	0.228	S	C	.	.	H	α-helix	trans	-74.1	-16.3	169.7	-72	-36.8	0	0	0	111.7	A837 S918 A924	A837-N922 WeakPolarHBondContact CB-ND2 3.39Å; A837-N922 WeakPolarHBondContact CB-OD1 3.4Å; S918-N922 WeakPolarHBondContact O-CB 3.17Å; S918-N922 PolarHBondContact O-N 2.81Å; S918-N922 PolarHBondContact O-ND2 3.3Å; S918-N922 PolarHBondContact OG-ND2 2.8Å; N922-A924 PolarHBondContact O-N 3.49Å
923	G	60	Low	61.8	Low	21 Å²	21	45.5 Å²	45.5	22%	0.216	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	15.2	-175.7	0	0	0	0	0	113.9	R661 D919 V920 Y921	R661-G923 VanDerWaalsContact CZ-CA 3.5Å; R661-G923 VanDerWaalsContact NH2-C 3.33Å; R661-G923 PolarHBondContact NH2-O 3.09Å; D919-G923 PolarHBondContact O-N 3.28Å; V920-G923 PolarHBondContact O-N 3.33Å; Y921-G923 PolarHBondContact O-N 3.3Å
924	A	50.4	Low	59.8	Low	37 Å²	37	47.1 Å²	47.1	31%	0.306	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-53.1	158.4	170.8	0	0	0	0	0	110.7	W660 D919 N922	W660-A924 WeakPolarHBondContact CH2-O 3.41Å; W660-A924 WeakPolarHBondContact CZ2-O 3.04Å; D919-A924 HydrophobicContact CB-CB 4.32Å; D919-A924 PolarHBondContact O-N 2.94Å; N922-A924 PolarHBondContact O-N 3.49Å
925	A	42.3	Very low	58.3	Low	59 Å²	59	49.2 Å²	49.2	49%	0.488	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-68.6	160	165.4	0	0	0	0	0	109.7	V927	A925-V927 PolarHBondContact O-N 3.37Å
926	M	40.4	Very low	57.6	Low	46 Å²	46	49.2 Å²	49.2	23%	0.227	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-51.2	129.8	161.7	-74	171.9	59.7	0	0	108.7	W660 T913 L915 V928	W660-M926 HydrophobicContact CB-SD 4.2Å; W660-M926 HydrophobicContact CD2-CG 4.06Å; W660-M926 HydrophobicContact CD2-SD 4.34Å; W660-M926 HydrophobicContact CE3-CG 3.91Å; W660-M926 HydrophobicContact CE3-SD 4.4Å; W660-M926 HydrophobicContact CG-SD 4.26Å; W660-M926 HydrophobicContact CZ3-CG 4.25Å; T913-M926 HydrophobicContact CG2-CE 4.35Å; T913-M926 VanDerWaalsContact OG1-CE 3.27Å; T913-M926 WeakPolarHBondContact OG1-CE 3.34Å; L915-M926 HydrophobicContact CB-CG 4.3Å; L915-M926 HydrophobicContact CD1-CG 3.99Å; L915-M926 HydrophobicContact CD2-CG 4.05Å; L915-M926 HydrophobicContact CG-CG 4.34Å; M926-V928 PolarHBondContact O-N 2.99Å
927	V	31.4	Very low	56.7	Low	70 Å²	70	50.6 Å²	50.6	42%	0.424	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	85.2	177.3	-175.8	0	0	0	0	107.4	T913 V914 A925 Q929	T913-V927 CarbonylContact C-O 3.57Å; T913-V927 WeakPolarHBondContact CA-O 3.39Å; V914-V927 PolarHBondContact N-O 3.03Å; V914-V927 PolarHBondContact O-N 3.26Å; A925-V927 PolarHBondContact O-N 3.37Å; V927-Q929 PolarHBondContact O-N 3.14Å
928	V	29.5	Very low	55.9	Low	50 Å²	50	55.6 Å²	55.6	30%	0.303	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	126.7	157.4	-169.2	0	0	0	0	106.2	T913 M926 H930	T913-V928 HydrophobicContact CG2-CB 4.21Å; T913-V928 HydrophobicContact CG2-CG1 4.17Å; T913-V928 HydrophobicContact CG2-CG2 3.9Å; M926-V928 PolarHBondContact O-N 2.99Å; V928-H930 PolarHBondContact O-N 3.33Å
929	Q	29.1	Very low	55.4	Low	55 Å²	55	57.2 Å²	57.2	26%	0.257	32%	0.321	S	S	.	.			trans	-73.7	69.8	159.5	-88.3	-154.2	-42.6	0	0	109	V846 L912 V927 Y931	V846-Q929 PolarHBondContact O-NE2 3.25Å; L912-Q929 PolarHBondContact O-N 2.75Å; V927-Q929 PolarHBondContact O-N 3.14Å; Q929-Y931 PolarHBondContact O-N 2.76Å
930	H	27.8	Very low	55.2	Low	107 Å²	107	56.9 Å²	56.9	50%	0.495	32%	0.32	S	S	.	.			trans	-56.3	120.4	141.5	-64.8	-48.9	0	0	0	105.7	V928 N932	V928-H930 PolarHBondContact O-N 3.33Å; H930-N932 WeakPolarHBondContact O-CA 3.29Å; H930-N932 PolarHBondContact O-N 2.89Å
931	Y	27	Very low	55.1	Low	153 Å²	153	59 Å²	59	60%	0.6	33%	0.331	S	S	*	.	S	Bend	trans	-44.3	108.4	161.4	-92.6	-90.2	0	0	0	107.4	K909 Q929 S933	K909-Y931 HydrophobicContact CB-CE2 4.19Å; K909-Y931 HydrophobicContact CD-CE2 4.33Å; Q929-Y931 PolarHBondContact O-N 2.76Å; Y931-S933 PolarHBondContact O-N 2.55Å
932	N	32.5	Very low	55	Low	124 Å²	124	62.2 Å²	62.2	66%	0.663	36%	0.356	S	S	*	.			trans	-30.5	100.8	-149.1	-73.8	2.6	0	0	0	113.1	H930 I934	H930-N932 WeakPolarHBondContact O-CA 3.29Å; H930-N932 PolarHBondContact O-N 2.89Å; N932-I934 HydrophobicContact CB-CD1 4.47Å; N932-I934 HydrophobicContact CB-CG1 3.97Å; N932-I934 WeakPolarHBondContact O-CG1 3.3Å; N932-I934 PolarHBondContact O-N 2.89Å
933	S	39.9	Very low	55.6	Low	81 Å²	81	58.7 Å²	58.7	57%	0.566	34%	0.335	S	S	*	.			trans	-71	77.1	168.5	55.8	0	0	0	0	107.2	Y931 S935	Y931-S933 PolarHBondContact O-N 2.55Å; S933-S935 PolarHBondContact O-N 3.23Å
934	I	49.2	Very low	57	Low	44 Å²	44	61.2 Å²	61.2	23%	0.226	34%	0.344	C	S	.	.			trans	-58.6	106.1	-174.3	-72.8	158.4	0	0	0	107.1	N932 F936 V939 L1142 L1222	N932-I934 HydrophobicContact CB-CD1 4.47Å; N932-I934 HydrophobicContact CB-CG1 3.97Å; N932-I934 WeakPolarHBondContact O-CG1 3.3Å; N932-I934 PolarHBondContact O-N 2.89Å; I934-F936 VanDerWaalsContact C-N 3.31Å; I934-F936 PolarHBondContact O-N 2.84Å; I934-V939 HydrophobicContact CG2-CG2 3.92Å; I934-L1142 HydrophobicContact CB-CD1 4.1Å; I934-L1142 HydrophobicContact CG2-CD1 4.22Å; I934-L1142 WeakPolarHBondContact O-CD1 3.1Å; I934-L1222 HydrophobicContact CD1-CD1 3.5Å; I934-L1222 VanDerWaalsContact CD1-CD1 3.5Å; I934-L1222 HydrophobicContact CD1-CD2 4.38Å; I934-L1222 HydrophobicContact CG2-CD2 4.4Å
935	S	62.2	Low	58.8	Low	52 Å²	52	62.7 Å²	62.7	36%	0.364	34%	0.344	S	S	.	.			trans	-69.6	99.3	169.6	-165.5	0	0	0	0	106.6	S933 L937 D938 V939	S933-S935 PolarHBondContact O-N 3.23Å; S935-L937 PolarHBondContact O-N 2.77Å; S935-D938 WeakPolarHBondContact CB-OD2 3.47Å; S935-D938 WeakPolarHBondContact O-CA 3.22Å; S935-D938 WeakPolarHBondContact O-CB 3.5Å; S935-D938 PolarHBondContact O-N 3.19Å; S935-V939 PolarHBondContact O-N 3.48Å
936	F	75.6	Confident	60.9	Low	3 Å²	3	67.2 Å²	67.2	1%	0.013	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-23.5	179.9	-153.9	-96.7	0	0	0	111.5	I934 D938 V939 V940 L1005 L1008 L1142 V1192 Q1193 T1198 L1222	I934-F936 VanDerWaalsContact C-N 3.31Å; I934-F936 PolarHBondContact O-N 2.84Å; F936-D938 VanDerWaalsContact C-N 3.34Å; F936-V939 PolarHBondContact O-N 3.14Å; F936-V940 HydrophobicContact CD1-CG2 3.92Å; F936-V940 HydrophobicContact CE1-CG2 3.85Å; F936-V940 WeakPolarHBondContact O-CG2 3.25Å; F936-V940 PolarHBondContact O-N 2.69Å; F936-L1005 HydrophobicContact CE1-CD1 3.98Å; F936-L1008 HydrophobicContact CB-CD2 4.07Å; F936-L1008 HydrophobicContact CB-CG 4.29Å; F936-L1008 HydrophobicContact CD1-CD2 3.51Å; F936-L1008 HydrophobicContact CD1-CG 4.25Å; F936-L1008 HydrophobicContact CD2-CD2 3.8Å; F936-L1008 HydrophobicContact CE1-CD2 3.79Å; F936-L1008 HydrophobicContact CE2-CD2 4.08Å; F936-L1008 HydrophobicContact CG-CD2 3.49Å; F936-L1008 VanDerWaalsContact CG-CD2 3.49Å; F936-L1008 HydrophobicContact CG-CG 4.21Å; F936-L1008 HydrophobicContact CZ-CD2 4.05Å; F936-L1142 HydrophobicContact CB-CD1 4.39Å; F936-L1142 HydrophobicContact CD2-CD1 4.46Å; F936-V1192 HydrophobicContact CD2-CG1 4Å; F936-V1192 HydrophobicContact CE2-CG1 3.37Å; F936-V1192 HydrophobicContact CZ-CG1 3.69Å; F936-Q1193 HydrophobicContact CE2-CG 4.23Å; F936-T1198 HydrophobicContact CE1-CG2 4.16Å; F936-T1198 HydrophobicContact CZ-CG2 3.72Å; F936-T1198 WeakPolarHBondContact CZ-OG1 3.35Å; F936-L1222 HydrophobicContact CD2-CD2 4.16Å; F936-L1222 HydrophobicContact CE2-CD2 4.05Å
937	L	76.7	Confident	63.2	Low	30 Å²	30	67.9 Å²	67.9	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-40.8	166.3	178.8	59.1	0	0	0	112.6	S935 N941 L977 C1009 F1010	S935-L937 PolarHBondContact O-N 2.77Å; L937-N941 WeakPolarHBondContact O-CB 3.33Å; L937-N941 PolarHBondContact O-N 2.72Å; L937-N941 PolarHBondContact O-ND2 3.42Å; L937-L977 HydrophobicContact CD1-CD1 3.7Å; L937-C1009 HydrophobicContact CB-CB 4.14Å; L937-C1009 HydrophobicContact CD1-CB 4.31Å; L937-F1010 HydrophobicContact CD1-CE1 3.78Å; L937-F1010 HydrophobicContact CD1-CE2 4.47Å; L937-F1010 HydrophobicContact CD1-CZ 3.64Å; L937-F1010 HydrophobicContact CD2-CD1 4.3Å; L937-F1010 HydrophobicContact CD2-CE1 3.71Å; L937-F1010 HydrophobicContact CD2-CZ 4.43Å; L937-F1010 HydrophobicContact CG-CE1 4.37Å
938	D	74	Confident	66	Low	105 Å²	105	64.5 Å²	64.5	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-71.8	-34.5	176.5	-71.2	-30.9	0	0	0	112.2	S935 F936 N941 S942	S935-D938 WeakPolarHBondContact CB-OD2 3.47Å; S935-D938 WeakPolarHBondContact O-CA 3.22Å; S935-D938 WeakPolarHBondContact O-CB 3.5Å; S935-D938 PolarHBondContact O-N 3.19Å; F936-D938 VanDerWaalsContact C-N 3.34Å; D938-N941 PolarHBondContact O-N 3.47Å; D938-S942 PolarHBondContact O-N 3.14Å; D938-S942 VanDerWaalsContact O-N 3.1Å
939	V	81.4	Confident	68.8	Low	36 Å²	36	62.8 Å²	62.8	22%	0.218	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-48.9	172.1	-179.9	0	0	0	0	111	I934 S935 F936 S942 W943	I934-V939 HydrophobicContact CG2-CG2 3.92Å; S935-V939 PolarHBondContact O-N 3.48Å; F936-V939 PolarHBondContact O-N 3.14Å; V939-S942 PolarHBondContact O-N 3.29Å; V939-S942 PolarHBondContact O-OG 3.46Å; V939-W943 PolarHBondContact O-NE1 3.44Å
940	V	83.8	Confident	71.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-70.3	-35.6	177.2	178.1	0	0	0	0	111.1	F936 S942 W943 G973 L977 L1005	F936-V940 HydrophobicContact CD1-CG2 3.92Å; F936-V940 HydrophobicContact CE1-CG2 3.85Å; F936-V940 WeakPolarHBondContact O-CG2 3.25Å; F936-V940 PolarHBondContact O-N 2.69Å; V940-S942 PolarHBondContact O-N 3.04Å; V940-W943 HydrophobicContact CG1-CD2 4.4Å; V940-W943 HydrophobicContact CG1-CE3 4.13Å; V940-W943 HydrophobicContact CG1-CZ3 4.49Å; V940-W943 HydrophobicContact CG2-CH2 4.39Å; V940-W943 HydrophobicContact CG2-CZ2 4.28Å; V940-W943 WeakPolarHBondContact O-CB 3.4Å; V940-W943 PolarHBondContact O-N 2.74Å; V940-W943 VanDerWaalsContact O-N 3.08Å; V940-G973 WeakPolarHBondContact O-CA 3.32Å; V940-L977 HydrophobicContact CB-CD1 4.29Å; V940-L977 HydrophobicContact CG1-CD1 3.75Å; V940-L977 HydrophobicContact CG1-CD2 4.16Å; V940-L977 HydrophobicContact CG1-CG 3.85Å; V940-L1005 HydrophobicContact CG1-CD2 4.01Å; V940-L1005 HydrophobicContact CG2-CD1 4.15Å; V940-L1005 HydrophobicContact CG2-CD2 4.09Å; V940-L1005 HydrophobicContact CG2-CG 4.11Å
941	N	82	Confident	74.7	Confident	46 Å²	46	57.4 Å²	57.4	25%	0.246	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-18.8	174.8	-80.3	-33.4	0	0	0	114	L937 D938 R974	L937-N941 WeakPolarHBondContact O-CB 3.33Å; L937-N941 PolarHBondContact O-N 2.72Å; L937-N941 PolarHBondContact O-ND2 3.42Å; D938-N941 PolarHBondContact O-N 3.47Å; N941-R974 HydrophobicContact CB-CG 4.42Å; N941-R974 WeakPolarHBondContact OD1-CG 3.48Å
942	S	83.7	Confident	77.6	Confident	87 Å²	87	50.1 Å²	50.1	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.8	174.1	67.7	0	0	0	0	113.9	D938 V939 V940 N944	D938-S942 PolarHBondContact O-N 3.14Å; D938-S942 VanDerWaalsContact O-N 3.1Å; V939-S942 PolarHBondContact O-N 3.29Å; V939-S942 PolarHBondContact O-OG 3.46Å; V940-S942 PolarHBondContact O-N 3.04Å; S942-N944 PolarHBondContact O-N 2.88Å
943	W	89.2	Confident	80.3	Confident	27 Å²	27	51 Å²	51	10%	0.102	27%	0.274	C	S	.	.			trans	-64.5	124.1	-177.9	-72.6	0.5	0	0	0	112.6	V939 V940 D947 V948 W951 G973 L976 L1005 T1198	V939-W943 PolarHBondContact O-NE1 3.44Å; V940-W943 HydrophobicContact CG1-CD2 4.4Å; V940-W943 HydrophobicContact CG1-CE3 4.13Å; V940-W943 HydrophobicContact CG1-CZ3 4.49Å; V940-W943 HydrophobicContact CG2-CH2 4.39Å; V940-W943 HydrophobicContact CG2-CZ2 4.28Å; V940-W943 WeakPolarHBondContact O-CB 3.4Å; V940-W943 PolarHBondContact O-N 2.74Å; V940-W943 VanDerWaalsContact O-N 3.08Å; W943-D947 WeakPolarHBondContact CA-OD2 3.37Å; W943-D947 HydrophobicContact CB-CB 3.79Å; W943-D947 HydrophobicContact CD2-CB 4.45Å; W943-D947 HydrophobicContact CG-CB 3.85Å; W943-V948 HydrophobicContact CB-CG2 4.24Å; W943-V948 HydrophobicContact CE3-CG2 4.19Å; W943-W951 HydrophobicContact CH2-CB 3.82Å; W943-W951 AromaticContact CH2-CD1 3.91Å; W943-W951 AromaticContact CH2-CD2 3.95Å; W943-W951 HydrophobicContact CH2-CD2 3.95Å; W943-W951 AromaticContact CH2-CG 3.59Å; W943-W951 HydrophobicContact CH2-CG 3.59Å; W943-W951 HydrophobicContact CZ3-CB 3.92Å; W943-W951 AromaticContact CZ3-CD2 3.87Å; W943-W951 HydrophobicContact CZ3-CD2 3.87Å; W943-W951 HydrophobicContact CZ3-CE3 4.01Å; W943-W951 AromaticContact CZ3-CG 3.83Å; W943-W951 HydrophobicContact CZ3-CG 3.83Å; W943-G973 PolarHBondContact O-N 2.95Å; W943-L976 HydrophobicContact CE3-CD2 3.98Å; W943-L976 HydrophobicContact CZ3-CD2 3.82Å; W943-L1005 HydrophobicContact CH2-CD1 4.06Å; W943-L1005 HydrophobicContact CH2-CD2 4.31Å; W943-L1005 HydrophobicContact CZ3-CD2 3.99Å; W943-T1198 HydrophobicContact CH2-CG2 4.11Å; W943-T1198 HydrophobicContact CZ2-CG2 4.11Å
944	N	89	Confident	82.4	Confident	74 Å²	74	47.3 Å²	47.3	40%	0.396	25%	0.248	S	C	.	.			trans	-83.9	178.5	169.2	79.1	74.3	0	0	0	111.5	S942 E946 D947 V948	S942-N944 PolarHBondContact O-N 2.88Å; N944-E946 VanDerWaalsContact C-N 3.29Å; N944-E946 PolarHBondContact O-N 2.81Å; N944-E946 WeakPolarHBondContact OD1-CA 3.48Å; N944-E946 VanDerWaalsContact OD1-CB 3.3Å; N944-E946 WeakPolarHBondContact OD1-CB 3.18Å; N944-E946 PolarHBondContact OD1-N 3.5Å; N944-D947 PolarHBondContact N-OD2 3.27Å; N944-D947 PolarHBondContact ND2-OD1 3.5Å; N944-D947 PolarHBondContact ND2-OD2 2.96Å; N944-D947 PolarHBondContact O-N 3.14Å; N944-V948 WeakPolarHBondContact O-CG2 3.11Å; N944-V948 PolarHBondContact O-N 3.12Å; N944-V948 VanDerWaalsContact O-N 3.11Å
945	E	87.9	Confident	84.2	Confident	67 Å²	67	45.3 Å²	45.3	31%	0.313	24%	0.238	S	C	.	.	H	α-helix	trans	-61.3	-33.4	-177.6	-59.5	179.3	-174.4	0	0	113.2	V949 S970	E945-V949 VanDerWaalsContact O-CG2 3.31Å; E945-V949 WeakPolarHBondContact O-CG2 3.5Å; E945-V949 PolarHBondContact O-N 3.46Å; E945-V949 VanDerWaalsContact O-N 3.16Å; E945-S970 WeakPolarHBondContact OE1-CA 3.34Å; E945-S970 WeakPolarHBondContact OE1-CB 3.13Å; E945-S970 PolarHBondContact OE1-OG 3.45Å
946	E	87.5	Confident	85.3	Confident	155 Å²	155	43.7 Å²	43.7	72%	0.724	23%	0.225	S	C	*	.	H	α-helix	trans	-73.4	-36.8	175.9	-55.9	-165.4	138.6	0	0	111.7	N944 V949 S950	N944-E946 VanDerWaalsContact C-N 3.29Å; N944-E946 PolarHBondContact O-N 2.81Å; N944-E946 WeakPolarHBondContact OD1-CA 3.48Å; N944-E946 VanDerWaalsContact OD1-CB 3.3Å; N944-E946 WeakPolarHBondContact OD1-CB 3.18Å; N944-E946 PolarHBondContact OD1-N 3.5Å; E946-V949 PolarHBondContact O-N 3.43Å; E946-S950 VanDerWaalsContact O-CB 3.31Å; E946-S950 WeakPolarHBondContact O-CB 3.38Å; E946-S950 PolarHBondContact O-N 2.75Å
947	D	88.2	Confident	85.6	Confident	59 Å²	59	48.9 Å²	48.9	32%	0.316	25%	0.253	S	S	.	.	H	α-helix	trans	-64	-44.6	177.2	-58.6	-32.6	0	0	0	110.8	W943 N944 S950 W951	W943-D947 WeakPolarHBondContact CA-OD2 3.37Å; W943-D947 HydrophobicContact CB-CB 3.79Å; W943-D947 HydrophobicContact CD2-CB 4.45Å; W943-D947 HydrophobicContact CG-CB 3.85Å; N944-D947 PolarHBondContact N-OD2 3.27Å; N944-D947 PolarHBondContact ND2-OD1 3.5Å; N944-D947 PolarHBondContact ND2-OD2 2.96Å; N944-D947 PolarHBondContact O-N 3.14Å; D947-S950 WeakPolarHBondContact O-CB 3.23Å; D947-S950 PolarHBondContact O-N 2.95Å; D947-W951 PolarHBondContact O-N 3.38Å
948	V	89.2	Confident	85.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-48.2	174.3	173.4	0	0	0	0	110.5	W943 N944 S950 W951 L952 F966 I971 L976	W943-V948 HydrophobicContact CB-CG2 4.24Å; W943-V948 HydrophobicContact CE3-CG2 4.19Å; N944-V948 WeakPolarHBondContact O-CG2 3.11Å; N944-V948 PolarHBondContact O-N 3.12Å; N944-V948 VanDerWaalsContact O-N 3.11Å; V948-S950 VanDerWaalsContact C-N 3.28Å; V948-S950 PolarHBondContact O-N 3.47Å; V948-W951 PolarHBondContact O-N 3.16Å; V948-L952 HydrophobicContact CG1-CD1 4.02Å; V948-L952 HydrophobicContact CG1-CG 4.43Å; V948-L952 WeakPolarHBondContact O-CB 3.05Å; V948-L952 VanDerWaalsContact O-CG 3.24Å; V948-L952 WeakPolarHBondContact O-CG 3.46Å; V948-L952 PolarHBondContact O-N 3.07Å; V948-F966 HydrophobicContact CG1-CD1 4.33Å; V948-I971 HydrophobicContact CG1-CG2 4.39Å; V948-L976 HydrophobicContact CG1-CD1 4.22Å; V948-L976 HydrophobicContact CG1-CD2 4.35Å; V948-L976 HydrophobicContact CG2-CD2 4.31Å
949	V	89.8	Confident	86.4	Confident	13 Å²	13	44.7 Å²	44.7	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-33.9	177	169.1	0	0	0	0	111.8	E945 E946 R953 L963	E945-V949 VanDerWaalsContact O-CG2 3.31Å; E945-V949 WeakPolarHBondContact O-CG2 3.5Å; E945-V949 PolarHBondContact O-N 3.46Å; E945-V949 VanDerWaalsContact O-N 3.16Å; E946-V949 PolarHBondContact O-N 3.43Å; V949-R953 WeakPolarHBondContact O-CG 3.47Å; V949-R953 PolarHBondContact O-N 3.38Å; V949-L963 HydrophobicContact CG1-CB 4.45Å
950	S	87.5	Confident	86.6	Confident	43 Å²	43	46.7 Å²	46.7	30%	0.301	25%	0.245	S	C	.	.	H	α-helix	trans	-65.6	-49.5	176.5	-164.1	0	0	0	0	111.5	E946 D947 V948 L952 R953	E946-S950 VanDerWaalsContact O-CB 3.31Å; E946-S950 WeakPolarHBondContact O-CB 3.38Å; E946-S950 PolarHBondContact O-N 2.75Å; D947-S950 WeakPolarHBondContact O-CB 3.23Å; D947-S950 PolarHBondContact O-N 2.95Å; V948-S950 VanDerWaalsContact C-N 3.28Å; V948-S950 PolarHBondContact O-N 3.47Å; S950-L952 PolarHBondContact O-N 3.39Å; S950-R953 PolarHBondContact O-N 2.9Å
951	W	91.7	Very high	86.7	Confident	6 Å²	6	51.3 Å²	51.3	2%	0.023	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-43.1	175.4	173.1	66.1	0	0	0	112.3	W943 D947 V948 R953 G954 L955 L976 A1001 I1002 L1005 I1200 W1202	W943-W951 HydrophobicContact CH2-CB 3.82Å; W943-W951 AromaticContact CH2-CD1 3.91Å; W943-W951 AromaticContact CH2-CD2 3.95Å; W943-W951 HydrophobicContact CH2-CD2 3.95Å; W943-W951 AromaticContact CH2-CG 3.59Å; W943-W951 HydrophobicContact CH2-CG 3.59Å; W943-W951 HydrophobicContact CZ3-CB 3.92Å; W943-W951 AromaticContact CZ3-CD2 3.87Å; W943-W951 HydrophobicContact CZ3-CD2 3.87Å; W943-W951 HydrophobicContact CZ3-CE3 4.01Å; W943-W951 AromaticContact CZ3-CG 3.83Å; W943-W951 HydrophobicContact CZ3-CG 3.83Å; D947-W951 PolarHBondContact O-N 3.38Å; V948-W951 PolarHBondContact O-N 3.16Å; W951-R953 VanDerWaalsContact C-N 3.27Å; W951-R953 PolarHBondContact O-N 3.17Å; W951-G954 PolarHBondContact O-N 3.25Å; W951-L955 HydrophobicContact CZ2-CD2 4.16Å; W951-L976 HydrophobicContact CE3-CD2 3.98Å; W951-L976 HydrophobicContact CZ3-CD1 4.2Å; W951-L976 HydrophobicContact CZ3-CD2 3.83Å; W951-L976 HydrophobicContact CZ3-CG 4.49Å; W951-A1001 HydrophobicContact CH2-CB 3.73Å; W951-A1001 HydrophobicContact CZ2-CB 3.87Å; W951-I1002 HydrophobicContact CH2-CG1 4.29Å; W951-I1002 HydrophobicContact CZ3-CG1 4.48Å; W951-L1005 HydrophobicContact CH2-CD2 4.31Å; W951-L1005 HydrophobicContact CZ2-CB 4.45Å; W951-L1005 HydrophobicContact CZ2-CD1 4.31Å; W951-L1005 HydrophobicContact CZ2-CD2 4.43Å; W951-I1200 PolarHBondContact NE1-O 3.04Å; W951-W1202 AromaticContact CD1-NE1 3.58Å; W951-W1202 PolarHBondContact O-NE1 3.28Å
952	L	89.3	Confident	87	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-28.2	-178.5	-73.4	177.1	0	0	0	113.7	V948 S950 G954 L955 V959 L963 F966 F998	V948-L952 HydrophobicContact CG1-CD1 4.02Å; V948-L952 HydrophobicContact CG1-CG 4.43Å; V948-L952 WeakPolarHBondContact O-CB 3.05Å; V948-L952 VanDerWaalsContact O-CG 3.24Å; V948-L952 WeakPolarHBondContact O-CG 3.46Å; V948-L952 PolarHBondContact O-N 3.07Å; S950-L952 PolarHBondContact O-N 3.39Å; L952-G954 VanDerWaalsContact C-N 3.28Å; L952-G954 PolarHBondContact O-N 3.37Å; L952-L955 HydrophobicContact CD2-CD1 3.6Å; L952-L955 PolarHBondContact O-N 3.44Å; L952-V959 VanDerWaalsContact O-CG2 3.3Å; L952-V959 WeakPolarHBondContact O-CG2 3.36Å; L952-L963 HydrophobicContact CB-CD2 3.47Å; L952-L963 VanDerWaalsContact CB-CD2 3.47Å; L952-L963 HydrophobicContact CD1-CD2 4.25Å; L952-F966 HydrophobicContact CD1-CB 4.32Å; L952-F966 HydrophobicContact CD1-CD1 3.75Å; L952-F966 HydrophobicContact CD1-CD2 3.82Å; L952-F966 HydrophobicContact CD1-CE1 3.96Å; L952-F966 HydrophobicContact CD1-CE2 4.03Å; L952-F966 HydrophobicContact CD1-CG 3.68Å; L952-F966 HydrophobicContact CD1-CZ 4.1Å; L952-F998 HydrophobicContact CD1-CE1 4.19Å; L952-F998 HydrophobicContact CD2-CD1 3.87Å; L952-F998 HydrophobicContact CD2-CE1 3.7Å; L952-F998 HydrophobicContact CG-CE1 4.48Å
953	R	88.7	Confident	87.1	Confident	144 Å²	144	48 Å²	48	54%	0.543	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-31.1	-179.8	-75.6	169	-169	149.3	4.7	113.8	V949 S950 W951 L955 L963	V949-R953 WeakPolarHBondContact O-CG 3.47Å; V949-R953 PolarHBondContact O-N 3.38Å; S950-R953 PolarHBondContact O-N 2.9Å; W951-R953 VanDerWaalsContact C-N 3.27Å; W951-R953 PolarHBondContact O-N 3.17Å; R953-L955 VanDerWaalsContact C-N 3.34Å; R953-L955 PolarHBondContact O-N 2.87Å; R953-L963 HydrophobicContact CG-CD1 3.77Å
954	G	84.2	Confident	86.8	Confident	2 Å²	2	54.4 Å²	54.4	2%	0.021	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.4	-175.6	0	0	0	0	0	115.5	W951 L952 W1202 Q1203 F1206	W951-G954 PolarHBondContact O-N 3.25Å; L952-G954 VanDerWaalsContact C-N 3.28Å; L952-G954 PolarHBondContact O-N 3.37Å; G954-W1202 CarbonylContact O-C 3.51Å; G954-W1202 WeakPolarHBondContact O-CA 3.24Å; G954-W1202 WeakPolarHBondContact O-CB 3.18Å; G954-Q1203 PolarHBondContact O-N 3.3Å; G954-F1206 WeakPolarHBondContact O-CD2 3.37Å
955	L	86.2	Confident	86.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	27%	0.27	C	S	.	.	S	Bend	trans	-74.1	-52.9	-171.3	-60.8	-177.4	0	0	0	113.8	W951 L952 R953 V959 T997 A1001 G1201 Q1203	W951-L955 HydrophobicContact CZ2-CD2 4.16Å; L952-L955 HydrophobicContact CD2-CD1 3.6Å; L952-L955 PolarHBondContact O-N 3.44Å; R953-L955 VanDerWaalsContact C-N 3.34Å; R953-L955 PolarHBondContact O-N 2.87Å; L955-V959 HydrophobicContact CB-CG2 4.2Å; L955-T997 HydrophobicContact CB-CG2 3.93Å; L955-A1001 HydrophobicContact CD1-CB 3.63Å; L955-A1001 HydrophobicContact CD2-CB 3.61Å; L955-A1001 HydrophobicContact CG-CB 4.26Å; L955-G1201 VanDerWaalsContact CD2-O 3.3Å; L955-G1201 WeakPolarHBondContact CD2-O 3.48Å; L955-Q1203 WeakPolarHBondContact O-CG 3.38Å
956	D	85	Confident	86.7	Confident	17 Å²	17	49.5 Å²	49.5	9%	0.091	26%	0.255	C	S	.	.			trans	-173.5	142.9	-176.4	-148.6	-76	0	0	0	109.8	V958 V959 T997 K1165 Q1203	D956-V958 PolarHBondContact O-N 2.84Å; D956-V959 WeakPolarHBondContact O-CG2 3.3Å; D956-V959 PolarHBondContact O-N 2.77Å; D956-T997 HydrophobicContact CB-CG2 3.91Å; D956-K1165 IonicContact OD2-NZ 2.83Å; D956-K1165 PolarHBondContact OD2-NZ 2.72Å; D956-Q1203 PolarHBondContact OD2-NE2 3.01Å
957	D	82.3	Confident	86.5	Confident	112 Å²	112	45 Å²	45	60%	0.599	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-54.6	-30.6	178.8	-64.3	-26.5	0	0	0	112.2	V959 T960	D957-V959 VanDerWaalsContact C-N 3.25Å; D957-V959 PolarHBondContact O-N 3.35Å; D957-T960 WeakPolarHBondContact O-CB 3.34Å; D957-T960 PolarHBondContact O-N 3.38Å; D957-T960 PolarHBondContact O-OG1 2.95Å
958	V	83.1	Confident	86.2	Confident	46 Å²	46	46.9 Å²	46.9	28%	0.279	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-59.3	-26.2	177.8	161.5	0	0	0	0	114.1	D956 P961 H993 A994	D956-V958 PolarHBondContact O-N 2.84Å; V958-P961 WeakPolarHBondContact O-CD 3.27Å; V958-H993 HydrophobicContact CG1-CB 4.3Å; V958-A994 HydrophobicContact CG1-CB 3.73Å
959	V	84.8	Confident	85.9	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.006	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-83.2	-15.8	-179.9	-62.3	0	0	0	0	113.8	L952 L955 D956 D957 P961 Y962 T997 F998	L952-V959 VanDerWaalsContact O-CG2 3.3Å; L952-V959 WeakPolarHBondContact O-CG2 3.36Å; L955-V959 HydrophobicContact CB-CG2 4.2Å; D956-V959 WeakPolarHBondContact O-CG2 3.3Å; D956-V959 PolarHBondContact O-N 2.77Å; D957-V959 VanDerWaalsContact C-N 3.25Å; D957-V959 PolarHBondContact O-N 3.35Å; V959-P961 VanDerWaalsContact C-CD 3.4Å; V959-Y962 PolarHBondContact O-N 3.32Å; V959-T997 HydrophobicContact CG1-CG2 3.88Å; V959-F998 HydrophobicContact CB-CE1 4.13Å; V959-F998 HydrophobicContact CB-CE2 4.19Å; V959-F998 HydrophobicContact CB-CZ 3.67Å; V959-F998 HydrophobicContact CG1-CD1 4.4Å; V959-F998 HydrophobicContact CG1-CD2 4.2Å; V959-F998 HydrophobicContact CG1-CE1 3.99Å; V959-F998 HydrophobicContact CG1-CE2 3.75Å; V959-F998 HydrophobicContact CG1-CG 4.49Å; V959-F998 HydrophobicContact CG1-CZ 3.63Å
960	T	84.5	Confident	85.6	Confident	79 Å²	79	51 Å²	51	49%	0.485	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-48.3	-44.4	-178	-47.5	0	0	0	0	114.7	D957 Y962 L963	D957-T960 WeakPolarHBondContact O-CB 3.34Å; D957-T960 PolarHBondContact O-N 3.38Å; D957-T960 PolarHBondContact O-OG1 2.95Å; T960-Y962 PolarHBondContact O-N 3.1Å; T960-L963 HydrophobicContact CG2-CD1 4.38Å; T960-L963 PolarHBondContact O-N 2.92Å
961	P	85.7	Confident	85.6	Confident	97 Å²	97	49.5 Å²	49.5	63%	0.63	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-66.2	-18.3	-179.6	-20.5	34.6	0	0	0	114.4	V958 V959	V958-P961 WeakPolarHBondContact O-CD 3.27Å; V959-P961 VanDerWaalsContact C-CD 3.4Å
962	Y	88.3	Confident	85.4	Confident	45 Å²	45	51.4 Å²	51.4	18%	0.176	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-99.3	-10.5	-173.5	-55.9	-78.4	0	0	0	113.2	V959 T960 Q964 V965 I989 N991 A994 F998	V959-Y962 PolarHBondContact O-N 3.32Å; T960-Y962 PolarHBondContact O-N 3.1Å; Y962-Q964 PolarHBondContact O-N 2.98Å; Y962-V965 WeakPolarHBondContact O-CB 3.38Å; Y962-V965 WeakPolarHBondContact O-CG2 3.47Å; Y962-V965 PolarHBondContact O-N 2.55Å; Y962-I989 HydrophobicContact CD1-CB 4.36Å; Y962-I989 HydrophobicContact CD1-CG1 3.92Å; Y962-I989 HydrophobicContact CD1-CG2 4.13Å; Y962-I989 HydrophobicContact CE1-CG2 4.27Å; Y962-I989 HydrophobicContact CG-CG1 4.37Å; Y962-I989 HydrophobicContact CG-CG2 4.33Å; Y962-N991 HydrophobicContact CE2-CB 4.47Å; Y962-N991 WeakPolarHBondContact OH-CB 3.33Å; Y962-A994 HydrophobicContact CD2-CB 4.04Å; Y962-A994 HydrophobicContact CE2-CB 3.68Å; Y962-F998 HydrophobicContact CD2-CE2 4.43Å; Y962-F998 HydrophobicContact CG-CE2 4.43Å
963	L	86	Confident	85.1	Confident	19 Å²	19	51.4 Å²	51.4	10%	0.099	29%	0.285	C	S	.	.	H	α-helix	trans	-54.3	-40.4	-178.7	-63.8	174.5	0	0	0	112.6	V949 L952 R953 T960 V965 F966 T967	V949-L963 HydrophobicContact CG1-CB 4.45Å; L952-L963 HydrophobicContact CB-CD2 3.47Å; L952-L963 VanDerWaalsContact CB-CD2 3.47Å; L952-L963 HydrophobicContact CD1-CD2 4.25Å; R953-L963 HydrophobicContact CG-CD1 3.77Å; T960-L963 HydrophobicContact CG2-CD1 4.38Å; T960-L963 PolarHBondContact O-N 2.92Å; L963-V965 PolarHBondContact O-N 3.41Å; L963-F966 PolarHBondContact O-N 3.29Å; L963-F966 VanDerWaalsContact O-N 3.15Å; L963-T967 PolarHBondContact O-N 2.81Å; L963-T967 PolarHBondContact O-OG1 3.2Å
964	Q	84.2	Confident	84.7	Confident	161 Å²	161	51.5 Å²	51.5	75%	0.752	29%	0.285	S	S	*	.	H	α-helix	trans	-66.5	-20	-179.9	-163	170.6	16.9	0	0	113	Y962 S968	Y962-Q964 PolarHBondContact O-N 2.98Å; Q964-S968 WeakPolarHBondContact O-CB 3.13Å; Q964-S968 PolarHBondContact O-N 3.01Å; Q964-S968 PolarHBondContact O-OG 3.08Å
965	V	86.7	Confident	84.7	Confident	36 Å²	36	55.4 Å²	55.4	22%	0.218	30%	0.302	C	S	.	.	H	α-helix	trans	-72.5	-38.4	174.6	-172.5	0	0	0	0	111	Y962 L963 S968 S969 M987	Y962-V965 WeakPolarHBondContact O-CB 3.38Å; Y962-V965 WeakPolarHBondContact O-CG2 3.47Å; Y962-V965 PolarHBondContact O-N 2.55Å; L963-V965 PolarHBondContact O-N 3.41Å; V965-S968 WeakPolarHBondContact CA-OG 3.32Å; V965-S968 PolarHBondContact O-N 3.39Å; V965-S968 PolarHBondContact O-OG 3.03Å; V965-S969 VanDerWaalsContact O-CB 3.28Å; V965-S969 WeakPolarHBondContact O-CB 3.48Å; V965-S969 PolarHBondContact O-N 3.3Å; V965-S969 PolarHBondContact O-OG 3.5Å; V965-M987 HydrophobicContact CG1-CB 3.94Å; V965-M987 HydrophobicContact CG1-CE 3.88Å; V965-M987 HydrophobicContact CG1-CG 4.48Å; V965-M987 VanDerWaalsContact CG1-O 3.28Å; V965-M987 WeakPolarHBondContact CG1-O 3.42Å
966	F	87.6	Confident	84.7	Confident	1 Å²	1	55.3 Å²	55.3	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-42.7	176.8	-74.7	-101	0	0	0	111.5	V948 L952 L963 S969 S970 I971 L976 L979 L984 M987 I989 F998	V948-F966 HydrophobicContact CG1-CD1 4.33Å; L952-F966 HydrophobicContact CD1-CB 4.32Å; L952-F966 HydrophobicContact CD1-CD1 3.75Å; L952-F966 HydrophobicContact CD1-CD2 3.82Å; L952-F966 HydrophobicContact CD1-CE1 3.96Å; L952-F966 HydrophobicContact CD1-CE2 4.03Å; L952-F966 HydrophobicContact CD1-CG 3.68Å; L952-F966 HydrophobicContact CD1-CZ 4.1Å; L963-F966 PolarHBondContact O-N 3.29Å; L963-F966 VanDerWaalsContact O-N 3.15Å; F966-S969 PolarHBondContact O-N 2.92Å; F966-S970 PolarHBondContact O-N 3.11Å; F966-I971 HydrophobicContact CB-CB 4.41Å; F966-I971 HydrophobicContact CB-CG1 4.45Å; F966-I971 HydrophobicContact CD1-CB 3.94Å; F966-I971 HydrophobicContact CD1-CG1 3.92Å; F966-I971 HydrophobicContact CD1-CG2 3.98Å; F966-I971 PolarHBondContact O-N 2.6Å; F966-L976 HydrophobicContact CE1-CD1 4.39Å; F966-L979 HydrophobicContact CE1-CD1 3.93Å; F966-L984 HydrophobicContact CZ-CD2 4Å; F966-M987 HydrophobicContact CD1-CE 4.15Å; F966-M987 HydrophobicContact CD2-CE 4.18Å; F966-M987 HydrophobicContact CE1-CE 4.21Å; F966-M987 HydrophobicContact CE2-CE 4.23Å; F966-M987 HydrophobicContact CG-CE 4.13Å; F966-M987 HydrophobicContact CZ-CE 4.25Å; F966-I989 HydrophobicContact CE2-CD1 3.79Å; F966-I989 HydrophobicContact CZ-CD1 4.14Å; F966-F998 HydrophobicContact CE2-CD1 4.22Å; F966-F998 AromaticContact CE2-CE1 3.49Å; F966-F998 HydrophobicContact CE2-CE1 3.49Å; F966-F998 VanDerWaalsContact CE2-CE1 3.49Å; F966-F998 HydrophobicContact CE2-CE2 4.42Å; F966-F998 AromaticContact CE2-CZ 3.62Å; F966-F998 HydrophobicContact CE2-CZ 3.62Å; F966-F998 AromaticContact CZ-CD1 3.86Å; F966-F998 HydrophobicContact CZ-CD1 3.86Å; F966-F998 AromaticContact CZ-CE1 3.58Å; F966-F998 HydrophobicContact CZ-CE1 3.58Å; F966-F998 HydrophobicContact CZ-CZ 4.1Å
967	T	83.3	Confident	84.7	Confident	62 Å²	62	54.9 Å²	54.9	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-64.4	-47.3	174.8	-33.4	0	0	0	0	111.8	L963 S969 S970	L963-T967 PolarHBondContact O-N 2.81Å; L963-T967 PolarHBondContact O-OG1 3.2Å; T967-S969 PolarHBondContact O-N 2.58Å; T967-S970 PolarHBondContact O-N 2.62Å
968	S	82.2	Confident	84.5	Confident	97 Å²	97	55.1 Å²	55.1	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-71.7	-13.4	179.7	53.9	0	0	0	0	114.8	Q964 V965	Q964-S968 WeakPolarHBondContact O-CB 3.13Å; Q964-S968 PolarHBondContact O-N 3.01Å; Q964-S968 PolarHBondContact O-OG 3.08Å; V965-S968 WeakPolarHBondContact CA-OG 3.32Å; V965-S968 PolarHBondContact O-N 3.39Å; V965-S968 PolarHBondContact O-OG 3.03Å
969	S	82.7	Confident	84.3	Confident	52 Å²	52	53.8 Å²	53.8	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	1.8	170.1	-51	0	0	0	0	113.3	V965 F966 T967 I971	V965-S969 VanDerWaalsContact O-CB 3.28Å; V965-S969 WeakPolarHBondContact O-CB 3.48Å; V965-S969 PolarHBondContact O-N 3.3Å; V965-S969 PolarHBondContact O-OG 3.5Å; F966-S969 PolarHBondContact O-N 2.92Å; T967-S969 PolarHBondContact O-N 2.58Å; S969-I971 PolarHBondContact O-N 2.86Å
970	S	84.2	Confident	83.7	Confident	48 Å²	48	54.8 Å²	54.8	34%	0.336	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	48.2	-174.1	-76.8	0	0	0	0	114	E945 F966 T967 D972 K975	E945-S970 WeakPolarHBondContact OE1-CA 3.34Å; E945-S970 WeakPolarHBondContact OE1-CB 3.13Å; E945-S970 PolarHBondContact OE1-OG 3.45Å; F966-S970 PolarHBondContact O-N 3.11Å; T967-S970 PolarHBondContact O-N 2.62Å; S970-D972 PolarHBondContact O-N 2.7Å; S970-K975 VanDerWaalsContact O-CD 3.22Å; S970-K975 WeakPolarHBondContact O-CD 3.31Å; S970-K975 PolarHBondContact O-NZ 2.94Å
971	I	86.1	Confident	82.8	Confident	12 Å²	12	51 Å²	51	6%	0.062	27%	0.274	C	S	.	.			trans	-76.8	103.2	177	-54.7	-59.9	0	0	0	109.9	V948 F966 S969 K975 L976 L979 M987	V948-I971 HydrophobicContact CG1-CG2 4.39Å; F966-I971 HydrophobicContact CB-CB 4.41Å; F966-I971 HydrophobicContact CB-CG1 4.45Å; F966-I971 HydrophobicContact CD1-CB 3.94Å; F966-I971 HydrophobicContact CD1-CG1 3.92Å; F966-I971 HydrophobicContact CD1-CG2 3.98Å; F966-I971 PolarHBondContact O-N 2.6Å; S969-I971 PolarHBondContact O-N 2.86Å; I971-K975 HydrophobicContact CD1-CB 4.26Å; I971-K975 HydrophobicContact CD1-CD 4.48Å; I971-K975 HydrophobicContact CG2-CB 4.12Å; I971-L976 HydrophobicContact CG2-CB 4.15Å; I971-L976 HydrophobicContact CG2-CD1 4.45Å; I971-L979 HydrophobicContact CD1-CD2 4.44Å; I971-L979 HydrophobicContact CG2-CD1 4.36Å; I971-M987 HydrophobicContact CD1-SD 4.47Å; I971-M987 HydrophobicContact CG1-CE 4.07Å
972	D	87.5	Confident	82.1	Confident	46 Å²	46	49 Å²	49	25%	0.246	26%	0.26	C	S	.	.			trans	-84.1	172.1	164.6	59.7	50.2	0	0	0	111.1	S970 R974 K975 L976	S970-D972 PolarHBondContact O-N 2.7Å; D972-R974 PolarHBondContact O-N 2.77Å; D972-R974 WeakPolarHBondContact OD1-CA 3.17Å; D972-R974 WeakPolarHBondContact OD1-CB 3.39Å; D972-R974 PolarHBondContact OD1-N 3.33Å; D972-K975 PolarHBondContact O-N 2.88Å; D972-K975 VanDerWaalsContact O-N 3.14Å; D972-K975 WeakPolarHBondContact OD1-CG 3.42Å; D972-K975 PolarHBondContact OD1-N 3.08Å; D972-K975 WeakPolarHBondContact OD2-CE 3.49Å; D972-K975 IonicContact OD2-NZ 3.35Å; D972-K975 PolarHBondContact OD2-NZ 3.2Å; D972-L976 PolarHBondContact O-N 3.14Å
973	G	82.7	Confident	81.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-25.4	-179.5	0	0	0	0	0	115	V940 W943 L977	V940-G973 WeakPolarHBondContact O-CA 3.32Å; W943-G973 PolarHBondContact O-N 2.95Å; G973-L977 WeakPolarHBondContact O-CG 3.1Å; G973-L977 PolarHBondContact O-N 2.76Å
974	R	80.8	Confident	81.6	Confident	145 Å²	145	49.2 Å²	49.2	55%	0.547	26%	0.264	S	S	.	.	H	α-helix	trans	-71.4	-39.9	173.9	-71.7	175.3	175.3	-178.9	0	111.4	N941 D972 L978	N941-R974 HydrophobicContact CB-CG 4.42Å; N941-R974 WeakPolarHBondContact OD1-CG 3.48Å; D972-R974 PolarHBondContact O-N 2.77Å; D972-R974 WeakPolarHBondContact OD1-CA 3.17Å; D972-R974 WeakPolarHBondContact OD1-CB 3.39Å; D972-R974 PolarHBondContact OD1-N 3.33Å; R974-L978 WeakPolarHBondContact O-CD1 3.27Å; R974-L978 WeakPolarHBondContact O-CG 3.26Å
975	K	84	Confident	81.3	Confident	85 Å²	85	42.9 Å²	42.9	37%	0.37	24%	0.235	S	C	.	.	H	α-helix	trans	-70.8	-37.8	174.3	-67.3	168.1	-165.8	167	0	111.5	S970 I971 D972 L977 L978 L979	S970-K975 VanDerWaalsContact O-CD 3.22Å; S970-K975 WeakPolarHBondContact O-CD 3.31Å; S970-K975 PolarHBondContact O-NZ 2.94Å; I971-K975 HydrophobicContact CD1-CB 4.26Å; I971-K975 HydrophobicContact CD1-CD 4.48Å; I971-K975 HydrophobicContact CG2-CB 4.12Å; D972-K975 PolarHBondContact O-N 2.88Å; D972-K975 VanDerWaalsContact O-N 3.14Å; D972-K975 WeakPolarHBondContact OD1-CG 3.42Å; D972-K975 PolarHBondContact OD1-N 3.08Å; D972-K975 WeakPolarHBondContact OD2-CE 3.49Å; D972-K975 IonicContact OD2-NZ 3.35Å; D972-K975 PolarHBondContact OD2-NZ 3.2Å; K975-L977 VanDerWaalsContact C-N 3.29Å; K975-L977 PolarHBondContact O-N 2.91Å; K975-L978 WeakPolarHBondContact O-CA 3.36Å; K975-L978 PolarHBondContact O-N 3.21Å; K975-L979 PolarHBondContact O-N 2.92Å
976	L	87.9	Confident	80.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.1	-43.5	177.8	-175.6	68.4	0	0	0	112.1	W943 V948 W951 F966 I971 D972 L978 L979 I1002 L1005	W943-L976 HydrophobicContact CE3-CD2 3.98Å; W943-L976 HydrophobicContact CZ3-CD2 3.82Å; V948-L976 HydrophobicContact CG1-CD1 4.22Å; V948-L976 HydrophobicContact CG1-CD2 4.35Å; V948-L976 HydrophobicContact CG2-CD2 4.31Å; W951-L976 HydrophobicContact CE3-CD2 3.98Å; W951-L976 HydrophobicContact CZ3-CD1 4.2Å; W951-L976 HydrophobicContact CZ3-CD2 3.83Å; W951-L976 HydrophobicContact CZ3-CG 4.49Å; F966-L976 HydrophobicContact CE1-CD1 4.39Å; I971-L976 HydrophobicContact CG2-CB 4.15Å; I971-L976 HydrophobicContact CG2-CD1 4.45Å; D972-L976 PolarHBondContact O-N 3.14Å; L976-L978 PolarHBondContact O-N 2.87Å; L976-L979 HydrophobicContact CD1-CD1 4.27Å; L976-I1002 HydrophobicContact CD1-CD1 4.25Å; L976-I1002 HydrophobicContact CD1-CG1 4.18Å; L976-L1005 HydrophobicContact CD2-CD2 3.85Å
977	L	83.3	Confident	80.7	Confident	9 Å²	9	49 Å²	49	5%	0.047	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.2	177	-66.1	174.3	0	0	0	114.4	L937 V940 G973 K975 L1005 I1006 F1010	L937-L977 HydrophobicContact CD1-CD1 3.7Å; V940-L977 HydrophobicContact CB-CD1 4.29Å; V940-L977 HydrophobicContact CG1-CD1 3.75Å; V940-L977 HydrophobicContact CG1-CD2 4.16Å; V940-L977 HydrophobicContact CG1-CG 3.85Å; G973-L977 WeakPolarHBondContact O-CG 3.1Å; G973-L977 PolarHBondContact O-N 2.76Å; K975-L977 VanDerWaalsContact C-N 3.29Å; K975-L977 PolarHBondContact O-N 2.91Å; L977-L1005 HydrophobicContact CD2-CD2 4.26Å; L977-I1006 HydrophobicContact CD2-CG1 3.67Å; L977-F1010 HydrophobicContact CD1-CZ 4.5Å
978	L	79	Confident	80.5	Confident	116 Å²	116	48 Å²	48	61%	0.607	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-6.4	-178.1	-68.2	171.7	0	0	0	113.9	R974 K975 L976	R974-L978 WeakPolarHBondContact O-CD1 3.27Å; R974-L978 WeakPolarHBondContact O-CG 3.26Å; K975-L978 WeakPolarHBondContact O-CA 3.36Å; K975-L978 PolarHBondContact O-N 3.21Å; L976-L978 PolarHBondContact O-N 2.87Å
979	L	78.8	Confident	80.4	Confident	19 Å²	19	43.4 Å²	43.4	10%	0.099	24%	0.236	C	C	.	.			trans	-67.2	128.3	-179.2	-74.3	170.3	0	0	0	112.2	F966 I971 K975 L976 D983 L984 M987 I1002 F1324	F966-L979 HydrophobicContact CE1-CD1 3.93Å; I971-L979 HydrophobicContact CD1-CD2 4.44Å; I971-L979 HydrophobicContact CG2-CD1 4.36Å; K975-L979 PolarHBondContact O-N 2.92Å; L976-L979 HydrophobicContact CD1-CD1 4.27Å; L979-D983 HydrophobicContact CD2-CB 3.65Å; L979-L984 HydrophobicContact CD1-CD2 4.22Å; L979-M987 HydrophobicContact CD2-SD 4.02Å; L979-I1002 HydrophobicContact CD1-CD1 4.4Å; L979-F1324 WeakPolarHBondContact O-CE1 3.2Å; L979-F1324 VanDerWaalsContact O-CZ 3.29Å; L979-F1324 WeakPolarHBondContact O-CZ 3.44Å
980	S	71.4	Confident	80.2	Confident	21 Å²	21	45.6 Å²	45.6	15%	0.147	25%	0.248	C	C	.	.			trans	-93	173.4	166.2	74.8	0	0	0	0	111.8	V982 D983 L984 F1324	S980-V982 PolarHBondContact O-N 3Å; S980-V982 PolarHBondContact OG-N 3.03Å; S980-D983 WeakPolarHBondContact CA-OD2 3.33Å; S980-D983 VanDerWaalsContact CB-OD2 3.24Å; S980-D983 WeakPolarHBondContact CB-OD2 3.48Å; S980-D983 PolarHBondContact N-OD2 2.77Å; S980-D983 PolarHBondContact O-N 2.8Å; S980-D983 PolarHBondContact OG-N 3.36Å; S980-D983 PolarHBondContact OG-OD2 3.36Å; S980-L984 PolarHBondContact O-N 3.34Å; S980-F1324 VanDerWaalsContact C-CE1 3.47Å
981	S	67.3	Low	80.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-25.6	173.8	62.3	0	0	0	0	112.3	I985 E1328	S981-I985 WeakPolarHBondContact O-CD1 3.03Å; S981-I985 WeakPolarHBondContact O-CG1 3.31Å; S981-I985 PolarHBondContact O-N 2.96Å; S981-E1328 VanDerWaalsContact OG-C 3.23Å; S981-E1328 WeakPolarHBondContact OG-CB 3.4Å; S981-E1328 PolarHBondContact OG-O 3.26Å
982	V	70.9	Confident	79.4	Confident	54 Å²	54	48.8 Å²	48.8	33%	0.327	26%	0.261	S	S	.	.	H	α-helix	trans	-70.8	-45.6	176.5	-174.9	0	0	0	0	109.7	S980 L984 I985 D986	S980-V982 PolarHBondContact O-N 3Å; S980-V982 PolarHBondContact OG-N 3.03Å; V982-L984 VanDerWaalsContact C-N 3.31Å; V982-L984 PolarHBondContact O-N 2.88Å; V982-I985 WeakPolarHBondContact O-CA 3.36Å; V982-I985 PolarHBondContact O-N 3.06Å; V982-D986 PolarHBondContact O-N 2.8Å
983	D	80.1	Confident	78.8	Confident	69 Å²	69	51.4 Å²	51.4	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-40.6	178.4	-57.6	-70.8	0	0	0	111.6	L979 S980 I985 D986 M987	L979-D983 HydrophobicContact CD2-CB 3.65Å; S980-D983 WeakPolarHBondContact CA-OD2 3.33Å; S980-D983 VanDerWaalsContact CB-OD2 3.24Å; S980-D983 WeakPolarHBondContact CB-OD2 3.48Å; S980-D983 PolarHBondContact N-OD2 2.77Å; S980-D983 PolarHBondContact O-N 2.8Å; S980-D983 PolarHBondContact OG-N 3.36Å; S980-D983 PolarHBondContact OG-OD2 3.36Å; D983-I985 VanDerWaalsContact C-N 3.29Å; D983-I985 PolarHBondContact O-N 2.84Å; D983-D986 PolarHBondContact O-N 2.81Å; D983-M987 WeakPolarHBondContact O-CB 3.47Å; D983-M987 VanDerWaalsContact O-CG 3.23Å; D983-M987 WeakPolarHBondContact O-CG 3.39Å; D983-M987 PolarHBondContact O-N 3.32Å
984	L	83	Confident	78.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-34.1	174.9	-66.4	170.9	0	0	0	112.6	F966 L979 S980 V982 G988 I989 L995 F998 I999	F966-L984 HydrophobicContact CZ-CD2 4Å; L979-L984 HydrophobicContact CD1-CD2 4.22Å; S980-L984 PolarHBondContact O-N 3.34Å; V982-L984 VanDerWaalsContact C-N 3.31Å; V982-L984 PolarHBondContact O-N 2.88Å; L984-G988 PolarHBondContact O-N 3.38Å; L984-I989 HydrophobicContact CB-CD1 4.45Å; L984-I989 HydrophobicContact CD2-CD1 3.88Å; L984-I989 WeakPolarHBondContact O-CB 3.4Å; L984-I989 WeakPolarHBondContact O-CG1 3.46Å; L984-I989 PolarHBondContact O-N 3.21Å; L984-L995 HydrophobicContact CB-CD1 3.56Å; L984-L995 HydrophobicContact CD1-CD1 3.98Å; L984-L995 HydrophobicContact CG-CD1 4.42Å; L984-F998 HydrophobicContact CD1-CB 4.07Å; L984-I999 HydrophobicContact CD1-CG1 3.91Å
985	I	77.9	Confident	78.6	Confident	28 Å²	28	45.1 Å²	45.1	14%	0.144	25%	0.249	C	C	.	.	H	α-helix	trans	-76.4	-39.6	177.4	-71.2	168.1	0	0	0	111.3	S981 V982 D983 M987 G988 L995 A1332 F1335	S981-I985 WeakPolarHBondContact O-CD1 3.03Å; S981-I985 WeakPolarHBondContact O-CG1 3.31Å; S981-I985 PolarHBondContact O-N 2.96Å; V982-I985 WeakPolarHBondContact O-CA 3.36Å; V982-I985 PolarHBondContact O-N 3.06Å; D983-I985 VanDerWaalsContact C-N 3.29Å; D983-I985 PolarHBondContact O-N 2.84Å; I985-M987 VanDerWaalsContact C-N 3.29Å; I985-M987 PolarHBondContact O-N 3.01Å; I985-G988 VanDerWaalsContact O-CA 3.3Å; I985-G988 WeakPolarHBondContact O-CA 3.34Å; I985-G988 PolarHBondContact O-N 3.3Å; I985-L995 HydrophobicContact CD1-CD2 4.32Å; I985-L995 HydrophobicContact CG1-CD1 4.2Å; I985-L995 HydrophobicContact CG1-CD2 4.44Å; I985-A1332 HydrophobicContact CD1-CB 3.54Å; I985-F1335 HydrophobicContact CG2-CD1 4.39Å
986	D	78.3	Confident	78.2	Confident	133 Å²	133	44.1 Å²	44.1	71%	0.711	24%	0.243	S	C	*	.	H	α-helix	trans	-68.3	-28.7	174.7	-76	-15.8	0	0	0	111.8	V982 D983 G988	V982-D986 PolarHBondContact O-N 2.8Å; D983-D986 PolarHBondContact O-N 2.81Å; D986-G988 PolarHBondContact O-N 2.95Å
987	M	82.9	Confident	77.9	Confident	34 Å²	34	44.9 Å²	44.9	17%	0.167	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-5.3	164.1	-73.6	172.9	69.4	0	0	113.5	V965 F966 I971 L979 D983 I985	V965-M987 HydrophobicContact CG1-CB 3.94Å; V965-M987 HydrophobicContact CG1-CE 3.88Å; V965-M987 HydrophobicContact CG1-CG 4.48Å; V965-M987 VanDerWaalsContact CG1-O 3.28Å; V965-M987 WeakPolarHBondContact CG1-O 3.42Å; F966-M987 HydrophobicContact CD1-CE 4.15Å; F966-M987 HydrophobicContact CD2-CE 4.18Å; F966-M987 HydrophobicContact CE1-CE 4.21Å; F966-M987 HydrophobicContact CE2-CE 4.23Å; F966-M987 HydrophobicContact CG-CE 4.13Å; F966-M987 HydrophobicContact CZ-CE 4.25Å; I971-M987 HydrophobicContact CD1-SD 4.47Å; I971-M987 HydrophobicContact CG1-CE 4.07Å; L979-M987 HydrophobicContact CD2-SD 4.02Å; D983-M987 WeakPolarHBondContact O-CB 3.47Å; D983-M987 VanDerWaalsContact O-CG 3.23Å; D983-M987 WeakPolarHBondContact O-CG 3.39Å; D983-M987 PolarHBondContact O-N 3.32Å; I985-M987 VanDerWaalsContact C-N 3.29Å; I985-M987 PolarHBondContact O-N 3.01Å
988	G	78.9	Confident	78	Confident	41 Å²	41	44.5 Å²	44.5	42%	0.423	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	7	176.1	0	0	0	0	0	115.7	L984 I985 D986 T990	L984-G988 PolarHBondContact O-N 3.38Å; I985-G988 VanDerWaalsContact O-CA 3.3Å; I985-G988 WeakPolarHBondContact O-CA 3.34Å; I985-G988 PolarHBondContact O-N 3.3Å; D986-G988 PolarHBondContact O-N 2.95Å; G988-T990 VanDerWaalsContact C-N 3.28Å; G988-T990 PolarHBondContact O-N 3.46Å
989	I	81.4	Confident	78	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.			trans	-79.8	77	-178.2	-49.5	172.3	0	0	0	109.7	Y962 F966 L984 A994 F998	Y962-I989 HydrophobicContact CD1-CB 4.36Å; Y962-I989 HydrophobicContact CD1-CG1 3.92Å; Y962-I989 HydrophobicContact CD1-CG2 4.13Å; Y962-I989 HydrophobicContact CE1-CG2 4.27Å; Y962-I989 HydrophobicContact CG-CG1 4.37Å; Y962-I989 HydrophobicContact CG-CG2 4.33Å; F966-I989 HydrophobicContact CE2-CD1 3.79Å; F966-I989 HydrophobicContact CZ-CD1 4.14Å; L984-I989 HydrophobicContact CB-CD1 4.45Å; L984-I989 HydrophobicContact CD2-CD1 3.88Å; L984-I989 WeakPolarHBondContact O-CB 3.4Å; L984-I989 WeakPolarHBondContact O-CG1 3.46Å; L984-I989 PolarHBondContact O-N 3.21Å; I989-A994 HydrophobicContact CG2-CB 4.09Å; I989-F998 HydrophobicContact CD1-CD2 4.18Å; I989-F998 HydrophobicContact CD1-CE2 3.86Å; I989-F998 HydrophobicContact CD1-CZ 4.33Å; I989-F998 HydrophobicContact CG2-CD2 3.98Å; I989-F998 HydrophobicContact CG2-CE2 3.83Å
990	T	77.3	Confident	78	Confident	98 Å²	98	42.6 Å²	42.6	60%	0.601	24%	0.236	S	C	*	.			trans	-90.7	-6.3	-175.9	50.5	0	0	0	0	114.4	G988 L992	G988-T990 VanDerWaalsContact C-N 3.28Å; G988-T990 PolarHBondContact O-N 3.46Å; T990-L992 PolarHBondContact O-N 3.11Å
991	N	81.8	Confident	78.6	Confident	65 Å²	65	41.8 Å²	41.8	35%	0.348	23%	0.23	S	C	.	.			trans	-75.3	116.9	176.4	178.5	-29.8	0	0	0	110.3	Y962 H993 A994 L995	Y962-N991 HydrophobicContact CE2-CB 4.47Å; Y962-N991 WeakPolarHBondContact OH-CB 3.33Å; N991-H993 VanDerWaalsContact C-N 3.26Å; N991-H993 PolarHBondContact O-N 3.07Å; N991-H993 WeakPolarHBondContact OD1-CB 3.36Å; N991-H993 PolarHBondContact OD1-N 3.18Å; N991-A994 HydrophobicContact CB-CB 3.96Å; N991-A994 PolarHBondContact O-N 3.16Å; N991-A994 VanDerWaalsContact O-N 3.14Å; N991-A994 PolarHBondContact OD1-N 2.7Å; N991-L995 WeakPolarHBondContact O-CB 3.36Å; N991-L995 PolarHBondContact O-N 2.85Å
992	L	71.9	Confident	79.5	Confident	62 Å²	62	41.8 Å²	41.8	33%	0.325	23%	0.23	S	C	.	.	H	α-helix	trans	-60.6	-30	-175.4	-129	167.5	0	0	0	113.6	T990 R996 A1336	T990-L992 PolarHBondContact O-N 3.11Å; L992-R996 WeakPolarHBondContact O-CB 3.37Å; L992-R996 PolarHBondContact O-N 2.87Å; L992-A1336 HydrophobicContact CD1-CB 4.22Å; L992-A1336 HydrophobicContact CG-CB 4.49Å
993	H	75.4	Confident	79.8	Confident	101 Å²	101	41.1 Å²	41.1	47%	0.468	22%	0.223	S	C	.	.	H	α-helix	trans	-76	-44.7	175.1	-157.6	89.4	0	0	0	111.1	V958 N991 R996 T997	V958-H993 HydrophobicContact CG1-CB 4.3Å; N991-H993 VanDerWaalsContact C-N 3.26Å; N991-H993 PolarHBondContact O-N 3.07Å; N991-H993 WeakPolarHBondContact OD1-CB 3.36Å; N991-H993 PolarHBondContact OD1-N 3.18Å; H993-R996 PolarHBondContact O-N 3.37Å; H993-T997 PolarHBondContact O-N 2.73Å; H993-T997 PolarHBondContact O-OG1 2.78Å
994	A	80	Confident	79.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-49.2	176.9	0	0	0	0	0	111.4	V958 Y962 I989 N991 R996 T997 F998	V958-A994 HydrophobicContact CG1-CB 3.73Å; Y962-A994 HydrophobicContact CD2-CB 4.04Å; Y962-A994 HydrophobicContact CE2-CB 3.68Å; I989-A994 HydrophobicContact CG2-CB 4.09Å; N991-A994 HydrophobicContact CB-CB 3.96Å; N991-A994 PolarHBondContact O-N 3.16Å; N991-A994 VanDerWaalsContact O-N 3.14Å; N991-A994 PolarHBondContact OD1-N 2.7Å; A994-R996 VanDerWaalsContact C-N 3.32Å; A994-R996 PolarHBondContact O-N 2.91Å; A994-T997 WeakPolarHBondContact O-CB 3.13Å; A994-T997 PolarHBondContact O-N 2.91Å; A994-T997 VanDerWaalsContact O-N 3.15Å; A994-F998 HydrophobicContact CB-CD2 4.47Å; A994-F998 HydrophobicContact CB-CE2 4.24Å; A994-F998 WeakPolarHBondContact O-CD2 3.41Å; A994-F998 PolarHBondContact O-N 2.83Å
995	L	79.5	Confident	80.1	Confident	13 Å²	13	39.8 Å²	39.8	7%	0.068	22%	0.216	C	C	.	.	H	α-helix	trans	-56.7	-44.3	178.7	-168.2	78.5	0	0	0	111.7	L984 I985 N991 F998 I999 A1332	L984-L995 HydrophobicContact CB-CD1 3.56Å; L984-L995 HydrophobicContact CD1-CD1 3.98Å; L984-L995 HydrophobicContact CG-CD1 4.42Å; I985-L995 HydrophobicContact CD1-CD2 4.32Å; I985-L995 HydrophobicContact CG1-CD1 4.2Å; I985-L995 HydrophobicContact CG1-CD2 4.44Å; N991-L995 WeakPolarHBondContact O-CB 3.36Å; N991-L995 PolarHBondContact O-N 2.85Å; L995-F998 PolarHBondContact O-N 3.23Å; L995-I999 HydrophobicContact CD2-CD1 4.38Å; L995-I999 HydrophobicContact CG-CD1 3.96Å; L995-I999 WeakPolarHBondContact O-CB 3.4Å; L995-I999 VanDerWaalsContact O-CG1 3.29Å; L995-I999 WeakPolarHBondContact O-CG1 3.35Å; L995-I999 PolarHBondContact O-N 3.39Å; L995-A1332 HydrophobicContact CD2-CB 3.89Å
996	R	74.2	Confident	80.2	Confident	64 Å²	64	38.7 Å²	38.7	24%	0.242	21%	0.21	C	C	.	.	H	α-helix	trans	-67.8	-34.6	179	-158	176.2	-159.2	144.2	7.8	112.4	L992 H993 A994 N1000 D1366	L992-R996 WeakPolarHBondContact O-CB 3.37Å; L992-R996 PolarHBondContact O-N 2.87Å; H993-R996 PolarHBondContact O-N 3.37Å; A994-R996 VanDerWaalsContact C-N 3.32Å; A994-R996 PolarHBondContact O-N 2.91Å; R996-N1000 WeakPolarHBondContact O-CB 3.24Å; R996-N1000 PolarHBondContact O-N 2.74Å; R996-N1000 VanDerWaalsContact O-N 3.15Å; R996-N1000 PolarHBondContact O-ND2 3.29Å; R996-D1366 IonicContact CZ-OD1 3.55Å; R996-D1366 IonicContact CZ-OD2 3.61Å; R996-D1366 IonicContact NE-OD1 2.77Å; R996-D1366 IonicContact NE-OD2 3.91Å; R996-D1366 IonicContact NH2-OD1 3.49Å; R996-D1366 PolarHBondContact NH2-OD1 3.3Å; R996-D1366 IonicContact NH2-OD2 2.75Å
997	T	82.3	Confident	80.2	Confident	16 Å²	16	34.5 Å²	34.5	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-48.3	172.2	-66.2	0	0	0	0	111.7	L955 D956 V959 H993 A994 A1001	L955-T997 HydrophobicContact CB-CG2 3.93Å; D956-T997 HydrophobicContact CB-CG2 3.91Å; V959-T997 HydrophobicContact CG1-CG2 3.88Å; H993-T997 PolarHBondContact O-N 2.73Å; H993-T997 PolarHBondContact O-OG1 2.78Å; A994-T997 WeakPolarHBondContact O-CB 3.13Å; A994-T997 PolarHBondContact O-N 2.91Å; A994-T997 VanDerWaalsContact O-N 3.15Å; T997-A1001 WeakPolarHBondContact O-CB 3.21Å; T997-A1001 PolarHBondContact O-N 2.78Å
998	F	86.4	Confident	80.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-49.7	177.2	-74.4	-66.4	0	0	0	111.8	L952 V959 Y962 F966 L984 I989 A994 L995 N1000 A1001 I1002	L952-F998 HydrophobicContact CD1-CE1 4.19Å; L952-F998 HydrophobicContact CD2-CD1 3.87Å; L952-F998 HydrophobicContact CD2-CE1 3.7Å; L952-F998 HydrophobicContact CG-CE1 4.48Å; V959-F998 HydrophobicContact CB-CE1 4.13Å; V959-F998 HydrophobicContact CB-CE2 4.19Å; V959-F998 HydrophobicContact CB-CZ 3.67Å; V959-F998 HydrophobicContact CG1-CD1 4.4Å; V959-F998 HydrophobicContact CG1-CD2 4.2Å; V959-F998 HydrophobicContact CG1-CE1 3.99Å; V959-F998 HydrophobicContact CG1-CE2 3.75Å; V959-F998 HydrophobicContact CG1-CG 4.49Å; V959-F998 HydrophobicContact CG1-CZ 3.63Å; Y962-F998 HydrophobicContact CD2-CE2 4.43Å; Y962-F998 HydrophobicContact CG-CE2 4.43Å; F966-F998 HydrophobicContact CE2-CD1 4.22Å; F966-F998 AromaticContact CE2-CE1 3.49Å; F966-F998 HydrophobicContact CE2-CE1 3.49Å; F966-F998 VanDerWaalsContact CE2-CE1 3.49Å; F966-F998 HydrophobicContact CE2-CE2 4.42Å; F966-F998 AromaticContact CE2-CZ 3.62Å; F966-F998 HydrophobicContact CE2-CZ 3.62Å; F966-F998 AromaticContact CZ-CD1 3.86Å; F966-F998 HydrophobicContact CZ-CD1 3.86Å; F966-F998 AromaticContact CZ-CE1 3.58Å; F966-F998 HydrophobicContact CZ-CE1 3.58Å; F966-F998 HydrophobicContact CZ-CZ 4.1Å; L984-F998 HydrophobicContact CD1-CB 4.07Å; I989-F998 HydrophobicContact CD1-CD2 4.18Å; I989-F998 HydrophobicContact CD1-CE2 3.86Å; I989-F998 HydrophobicContact CD1-CZ 4.33Å; I989-F998 HydrophobicContact CG2-CD2 3.98Å; I989-F998 HydrophobicContact CG2-CE2 3.83Å; A994-F998 HydrophobicContact CB-CD2 4.47Å; A994-F998 HydrophobicContact CB-CE2 4.24Å; A994-F998 WeakPolarHBondContact O-CD2 3.41Å; A994-F998 PolarHBondContact O-N 2.83Å; L995-F998 PolarHBondContact O-N 3.23Å; F998-N1000 PolarHBondContact O-N 3.07Å; F998-A1001 PolarHBondContact O-N 2.95Å; F998-I1002 HydrophobicContact CB-CD1 4.49Å; F998-I1002 WeakPolarHBondContact O-CB 3.15Å; F998-I1002 VanDerWaalsContact O-CG1 3.26Å; F998-I1002 WeakPolarHBondContact O-CG1 3.41Å; F998-I1002 PolarHBondContact O-N 2.78Å
999	I	79	Confident	80.1	Confident	4 Å²	4	32 Å²	32	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-50.5	-178.9	-69	171.5	0	0	0	110.5	L984 L995 A1001 I1002 Q1003 F1324 L1329	L984-I999 HydrophobicContact CD1-CG1 3.91Å; L995-I999 HydrophobicContact CD2-CD1 4.38Å; L995-I999 HydrophobicContact CG-CD1 3.96Å; L995-I999 WeakPolarHBondContact O-CB 3.4Å; L995-I999 VanDerWaalsContact O-CG1 3.29Å; L995-I999 WeakPolarHBondContact O-CG1 3.35Å; L995-I999 PolarHBondContact O-N 3.39Å; I999-A1001 VanDerWaalsContact C-N 3.33Å; I999-A1001 PolarHBondContact O-N 2.85Å; I999-I1002 PolarHBondContact O-N 3.03Å; I999-Q1003 WeakPolarHBondContact O-CB 3.37Å; I999-Q1003 PolarHBondContact O-N 3.01Å; I999-F1324 HydrophobicContact CB-CZ 4.48Å; I999-F1324 HydrophobicContact CG1-CD1 4.23Å; I999-F1324 HydrophobicContact CG1-CE1 3.86Å; I999-F1324 HydrophobicContact CG1-CZ 4.13Å; I999-F1324 HydrophobicContact CG2-CD1 4.24Å; I999-F1324 HydrophobicContact CG2-CD2 3.96Å; I999-F1324 HydrophobicContact CG2-CE1 4.41Å; I999-F1324 HydrophobicContact CG2-CE2 4.16Å; I999-F1324 HydrophobicContact CG2-CG 4.02Å; I999-F1324 HydrophobicContact CG2-CZ 4.39Å; I999-L1329 HydrophobicContact CD1-CD2 3.77Å
1000	N	77.9	Confident	79.7	Confident	92 Å²	92	36.3 Å²	36.3	49%	0.492	19%	0.185	S	C	.	.	H	α-helix	trans	-58.2	-43.5	178.2	-75.3	-10.6	0	0	0	112.4	R996 F998 Q1003 L1004	R996-N1000 WeakPolarHBondContact O-CB 3.24Å; R996-N1000 PolarHBondContact O-N 2.74Å; R996-N1000 VanDerWaalsContact O-N 3.15Å; R996-N1000 PolarHBondContact O-ND2 3.29Å; F998-N1000 PolarHBondContact O-N 3.07Å; N1000-Q1003 PolarHBondContact O-N 3.09Å; N1000-L1004 WeakPolarHBondContact O-CG 3.44Å; N1000-L1004 PolarHBondContact O-N 3.29Å
1001	A	84.4	Confident	79.5	Confident	3 Å²	3	34 Å²	34	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-46.3	-178.8	0	0	0	0	0	112.4	W951 L955 T997 F998 I999 Q1003 L1004 L1005	W951-A1001 HydrophobicContact CH2-CB 3.73Å; W951-A1001 HydrophobicContact CZ2-CB 3.87Å; L955-A1001 HydrophobicContact CD1-CB 3.63Å; L955-A1001 HydrophobicContact CD2-CB 3.61Å; L955-A1001 HydrophobicContact CG-CB 4.26Å; T997-A1001 WeakPolarHBondContact O-CB 3.21Å; T997-A1001 PolarHBondContact O-N 2.78Å; F998-A1001 PolarHBondContact O-N 2.95Å; I999-A1001 VanDerWaalsContact C-N 3.33Å; I999-A1001 PolarHBondContact O-N 2.85Å; A1001-Q1003 VanDerWaalsContact C-N 3.31Å; A1001-Q1003 PolarHBondContact O-N 3.43Å; A1001-L1004 PolarHBondContact O-N 3.08Å; A1001-L1005 PolarHBondContact O-N 3.29Å
1002	I	85.1	Confident	79.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-40.3	177.1	-66.2	166.1	0	0	0	110	W951 L976 L979 F998 I999 L1005 I1006 F1324	W951-I1002 HydrophobicContact CH2-CG1 4.29Å; W951-I1002 HydrophobicContact CZ3-CG1 4.48Å; L976-I1002 HydrophobicContact CD1-CD1 4.25Å; L976-I1002 HydrophobicContact CD1-CG1 4.18Å; L979-I1002 HydrophobicContact CD1-CD1 4.4Å; F998-I1002 HydrophobicContact CB-CD1 4.49Å; F998-I1002 WeakPolarHBondContact O-CB 3.15Å; F998-I1002 VanDerWaalsContact O-CG1 3.26Å; F998-I1002 WeakPolarHBondContact O-CG1 3.41Å; F998-I1002 PolarHBondContact O-N 2.78Å; I999-I1002 PolarHBondContact O-N 3.03Å; I1002-L1005 WeakPolarHBondContact O-CB 3.36Å; I1002-L1005 PolarHBondContact O-N 3.17Å; I1002-I1006 HydrophobicContact CG2-CD1 3.63Å; I1002-I1006 HydrophobicContact CG2-CG1 4.38Å; I1002-I1006 WeakPolarHBondContact O-CB 3.48Å; I1002-I1006 VanDerWaalsContact O-CG1 3.27Å; I1002-I1006 WeakPolarHBondContact O-CG1 3.22Å; I1002-I1006 PolarHBondContact O-N 3.22Å; I1002-F1324 HydrophobicContact CB-CE2 4.12Å; I1002-F1324 HydrophobicContact CB-CZ 4.28Å; I1002-F1324 HydrophobicContact CD1-CZ 4.47Å; I1002-F1324 HydrophobicContact CG2-CE2 3.82Å; I1002-F1324 HydrophobicContact CG2-CZ 4.01Å
1003	Q	78	Confident	78.6	Confident	40 Å²	40	35.2 Å²	35.2	19%	0.187	17%	0.174	C	C	.	.	H	α-helix	trans	-71.4	-30.8	-178.7	-161.4	156.1	6.3	0	0	112.9	I999 N1000 A1001 N1007 F1324	I999-Q1003 WeakPolarHBondContact O-CB 3.37Å; I999-Q1003 PolarHBondContact O-N 3.01Å; N1000-Q1003 PolarHBondContact O-N 3.09Å; A1001-Q1003 VanDerWaalsContact C-N 3.31Å; A1001-Q1003 PolarHBondContact O-N 3.43Å; Q1003-N1007 PolarHBondContact O-N 3.27Å; Q1003-N1007 VanDerWaalsContact O-N 3.15Å; Q1003-N1007 PolarHBondContact O-ND2 2.95Å; Q1003-N1007 VanDerWaalsContact O-ND2 3.17Å; Q1003-F1324 HydrophobicContact CB-CD2 4.28Å; Q1003-F1324 HydrophobicContact CB-CE2 4.41Å; Q1003-F1324 HydrophobicContact CG-CD2 4.42Å
1004	L	82.3	Confident	78.3	Confident	42 Å²	42	33.1 Å²	33.1	22%	0.22	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-46.2	166.7	-74.3	169.8	0	0	0	112.1	N1000 A1001 I1006 N1007 L1008 M1167 I1200	N1000-L1004 WeakPolarHBondContact O-CG 3.44Å; N1000-L1004 PolarHBondContact O-N 3.29Å; A1001-L1004 PolarHBondContact O-N 3.08Å; L1004-I1006 VanDerWaalsContact C-N 3.32Å; L1004-I1006 PolarHBondContact O-N 3.43Å; L1004-N1007 PolarHBondContact O-N 3.22Å; L1004-L1008 PolarHBondContact O-N 3.01Å; L1004-M1167 HydrophobicContact CD2-CG 3.94Å; L1004-M1167 HydrophobicContact CD2-SD 3.92Å; L1004-I1200 HydrophobicContact CB-CG2 3.63Å
1005	L	86.5	Confident	78.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.6	-44.3	179.6	-162.2	76.6	0	0	0	111.4	F936 V940 W943 W951 L976 L977 A1001 I1002 L1008 C1009 T1198	F936-L1005 HydrophobicContact CE1-CD1 3.98Å; V940-L1005 HydrophobicContact CG1-CD2 4.01Å; V940-L1005 HydrophobicContact CG2-CD1 4.15Å; V940-L1005 HydrophobicContact CG2-CD2 4.09Å; V940-L1005 HydrophobicContact CG2-CG 4.11Å; W943-L1005 HydrophobicContact CH2-CD1 4.06Å; W943-L1005 HydrophobicContact CH2-CD2 4.31Å; W943-L1005 HydrophobicContact CZ3-CD2 3.99Å; W951-L1005 HydrophobicContact CH2-CD2 4.31Å; W951-L1005 HydrophobicContact CZ2-CB 4.45Å; W951-L1005 HydrophobicContact CZ2-CD1 4.31Å; W951-L1005 HydrophobicContact CZ2-CD2 4.43Å; L976-L1005 HydrophobicContact CD2-CD2 3.85Å; L977-L1005 HydrophobicContact CD2-CD2 4.26Å; A1001-L1005 PolarHBondContact O-N 3.29Å; I1002-L1005 WeakPolarHBondContact O-CB 3.36Å; I1002-L1005 PolarHBondContact O-N 3.17Å; L1005-L1008 PolarHBondContact O-N 3.21Å; L1005-C1009 PolarHBondContact O-N 2.74Å; L1005-C1009 PolarHBondContact O-SG 3.19Å; L1005-T1198 HydrophobicContact CD1-CG2 4.16Å
1006	I	80.9	Confident	78.4	Confident	5 Å²	5	35 Å²	35	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-48	175.5	-80.3	169.8	0	0	0	112.2	L977 I1002 L1004 L1008 C1009 F1010 A1322	L977-I1006 HydrophobicContact CD2-CG1 3.67Å; I1002-I1006 HydrophobicContact CG2-CD1 3.63Å; I1002-I1006 HydrophobicContact CG2-CG1 4.38Å; I1002-I1006 WeakPolarHBondContact O-CB 3.48Å; I1002-I1006 VanDerWaalsContact O-CG1 3.27Å; I1002-I1006 WeakPolarHBondContact O-CG1 3.22Å; I1002-I1006 PolarHBondContact O-N 3.22Å; L1004-I1006 VanDerWaalsContact C-N 3.32Å; L1004-I1006 PolarHBondContact O-N 3.43Å; I1006-L1008 PolarHBondContact O-N 2.82Å; I1006-C1009 PolarHBondContact O-N 3.41Å; I1006-C1009 VanDerWaalsContact O-N 3.07Å; I1006-F1010 HydrophobicContact CB-CD2 4.47Å; I1006-F1010 HydrophobicContact CG2-CD2 4.06Å; I1006-F1010 WeakPolarHBondContact O-CD2 3.06Å; I1006-F1010 PolarHBondContact O-N 3.05Å; I1006-A1322 HydrophobicContact CD1-CB 4.16Å; I1006-A1322 WeakPolarHBondContact CD1-O 3.43Å; I1006-A1322 HydrophobicContact CG1-CB 4.33Å; I1006-A1322 HydrophobicContact CG2-CB 4.01Å; I1006-A1322 WeakPolarHBondContact CG2-O 3.24Å
1007	N	78.1	Confident	78.9	Confident	44 Å²	44	32 Å²	32	24%	0.235	17%	0.169	C	C	.	.	H	α-helix	trans	-58.4	-40.2	179.4	-73.7	-26.4	0	0	0	110.7	Q1003 L1004 E1011	Q1003-N1007 PolarHBondContact O-N 3.27Å; Q1003-N1007 VanDerWaalsContact O-N 3.15Å; Q1003-N1007 PolarHBondContact O-ND2 2.95Å; Q1003-N1007 VanDerWaalsContact O-ND2 3.17Å; L1004-N1007 PolarHBondContact O-N 3.22Å; N1007-E1011 WeakPolarHBondContact O-CB 3.06Å; N1007-E1011 PolarHBondContact O-N 3.05Å
1008	L	81.9	Confident	79.1	Confident	12 Å²	12	33.8 Å²	33.8	6%	0.063	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-40.6	174.5	-165.6	75.1	0	0	0	112.7	F936 L1004 L1005 I1006 F1010 I1012 V1192 I1200 K1224	F936-L1008 HydrophobicContact CB-CD2 4.07Å; F936-L1008 HydrophobicContact CB-CG 4.29Å; F936-L1008 HydrophobicContact CD1-CD2 3.51Å; F936-L1008 HydrophobicContact CD1-CG 4.25Å; F936-L1008 HydrophobicContact CD2-CD2 3.8Å; F936-L1008 HydrophobicContact CE1-CD2 3.79Å; F936-L1008 HydrophobicContact CE2-CD2 4.08Å; F936-L1008 HydrophobicContact CG-CD2 3.49Å; F936-L1008 VanDerWaalsContact CG-CD2 3.49Å; F936-L1008 HydrophobicContact CG-CG 4.21Å; F936-L1008 HydrophobicContact CZ-CD2 4.05Å; L1004-L1008 PolarHBondContact O-N 3.01Å; L1005-L1008 PolarHBondContact O-N 3.21Å; I1006-L1008 PolarHBondContact O-N 2.82Å; L1008-F1010 VanDerWaalsContact C-N 3.33Å; L1008-F1010 PolarHBondContact O-N 3.39Å; L1008-I1012 HydrophobicContact CD1-CD1 3.87Å; L1008-I1012 VanDerWaalsContact O-CG2 3.26Å; L1008-I1012 WeakPolarHBondContact O-CG2 3.08Å; L1008-V1192 HydrophobicContact CD2-CG1 3.47Å; L1008-V1192 VanDerWaalsContact CD2-CG1 3.47Å; L1008-V1192 HydrophobicContact CD2-CG2 4.2Å; L1008-I1200 HydrophobicContact CB-CD1 4.26Å; L1008-I1200 HydrophobicContact CD2-CD1 3.47Å; L1008-I1200 VanDerWaalsContact CD2-CD1 3.47Å; L1008-I1200 HydrophobicContact CG-CD1 4.33Å; L1008-K1224 HydrophobicContact CD1-CD 4.22Å
1009	C	78.8	Confident	79.1	Confident	12 Å²	12	35.5 Å²	35.5	8%	0.081	19%	0.188	C	C	.	.	H	α-helix	trans	-67.8	-27.6	-179.5	-67.6	0	0	0	0	114.2	L937 L1005 I1006	L937-C1009 HydrophobicContact CB-CB 4.14Å; L937-C1009 HydrophobicContact CD1-CB 4.31Å; L1005-C1009 PolarHBondContact O-N 2.74Å; L1005-C1009 PolarHBondContact O-SG 3.19Å; I1006-C1009 PolarHBondContact O-N 3.41Å; I1006-C1009 VanDerWaalsContact O-N 3.07Å
1010	F	72.2	Confident	79.4	Confident	89 Å²	89	35.5 Å²	35.5	39%	0.39	19%	0.188	S	C	.	.	H	α-helix	trans	-126.6	-24.3	-167.8	-62.8	-67.6	0	0	0	116.2	L937 L977 I1006 L1008 A1322	L937-F1010 HydrophobicContact CD1-CE1 3.78Å; L937-F1010 HydrophobicContact CD1-CE2 4.47Å; L937-F1010 HydrophobicContact CD1-CZ 3.64Å; L937-F1010 HydrophobicContact CD2-CD1 4.3Å; L937-F1010 HydrophobicContact CD2-CE1 3.71Å; L937-F1010 HydrophobicContact CD2-CZ 4.43Å; L937-F1010 HydrophobicContact CG-CE1 4.37Å; L977-F1010 HydrophobicContact CD1-CZ 4.5Å; I1006-F1010 HydrophobicContact CB-CD2 4.47Å; I1006-F1010 HydrophobicContact CG2-CD2 4.06Å; I1006-F1010 WeakPolarHBondContact O-CD2 3.06Å; I1006-F1010 PolarHBondContact O-N 3.05Å; L1008-F1010 VanDerWaalsContact C-N 3.33Å; L1008-F1010 PolarHBondContact O-N 3.39Å; F1010-A1322 HydrophobicContact CD2-CB 4Å; F1010-A1322 HydrophobicContact CE2-CB 3.71Å; F1010-A1322 HydrophobicContact CZ-CB 4.44Å
1011	E	72.3	Confident	79.9	Confident	50 Å²	50	31.1 Å²	31.1	23%	0.234	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-20.9	-178.3	-63.6	-168.5	150.2	0	0	114.2	N1007 D1013 S1014 E1015 K1069	N1007-E1011 WeakPolarHBondContact O-CB 3.06Å; N1007-E1011 PolarHBondContact O-N 3.05Å; E1011-D1013 PolarHBondContact O-N 3.4Å; E1011-S1014 CarbonylContact O-C 3.59Å; E1011-S1014 WeakPolarHBondContact O-CA 3.21Å; E1011-S1014 PolarHBondContact O-N 3.41Å; E1011-S1014 PolarHBondContact O-OG 2.88Å; E1011-E1015 PolarHBondContact O-N 2.67Å; E1011-K1069 VanDerWaalsContact CD-NZ 3.28Å; E1011-K1069 IonicContact OE1-NZ 3.82Å; E1011-K1069 PolarHBondContact OE1-NZ 3.03Å; E1011-K1069 VanDerWaalsContact OE1-NZ 3.15Å; E1011-K1069 IonicContact OE2-NZ 3.8Å; E1011-K1069 PolarHBondContact OE2-NZ 2.92Å
1012	I	74.9	Confident	80	Confident	13 Å²	13	35.3 Å²	35.3	7%	0.067	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-54.7	-44.1	-167.7	-170.1	170.5	0	0	0	114.1	L1008 S1014 E1015 A1140 L1142	L1008-I1012 HydrophobicContact CD1-CD1 3.87Å; L1008-I1012 VanDerWaalsContact O-CG2 3.26Å; L1008-I1012 WeakPolarHBondContact O-CG2 3.08Å; I1012-S1014 PolarHBondContact O-N 3.48Å; I1012-E1015 PolarHBondContact O-N 3.03Å; I1012-A1140 HydrophobicContact CG1-CB 4.14Å; I1012-L1142 HydrophobicContact CD1-CD1 4.07Å; I1012-L1142 HydrophobicContact CD1-CD2 4.08Å; I1012-L1142 HydrophobicContact CD1-CG 3.67Å
1013	D	61.4	Low	80	Confident	139 Å²	139	38 Å²	38	74%	0.743	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-65.4	-7	178.5	-61.9	-22.6	0	0	0	113.7	E1011	E1011-D1013 PolarHBondContact O-N 3.4Å
1014	S	67.4	Low	80.5	Confident	57 Å²	57	36.1 Å²	36.1	40%	0.399	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-123.7	-8	-178.5	69.7	0	0	0	0	114	E1011 I1012 N1016	E1011-S1014 CarbonylContact O-C 3.59Å; E1011-S1014 WeakPolarHBondContact O-CA 3.21Å; E1011-S1014 PolarHBondContact O-N 3.41Å; E1011-S1014 PolarHBondContact O-OG 2.88Å; I1012-S1014 PolarHBondContact O-N 3.48Å; S1014-N1016 PolarHBondContact O-N 2.91Å
1015	E	77.5	Confident	80.9	Confident	32 Å²	32	34.3 Å²	34.3	15%	0.15	18%	0.18	C	C	.	.			trans	-77.3	96.4	-175.5	-166.7	-171.8	142.6	0	0	110.4	E1011 I1012 I1020 W1073 T1139 A1140 K1224	E1011-E1015 PolarHBondContact O-N 2.67Å; I1012-E1015 PolarHBondContact O-N 3.03Å; E1015-I1020 HydrophobicContact CG-CD1 4.2Å; E1015-W1073 HydrophobicContact CG-CZ2 4.07Å; E1015-W1073 VanDerWaalsContact O-CZ2 3.26Å; E1015-W1073 WeakPolarHBondContact O-CZ2 3.36Å; E1015-W1073 PolarHBondContact OE1-NE1 3.08Å; E1015-T1139 CarbonylContact O-C 3.52Å; E1015-T1139 VanDerWaalsContact O-CA 3.31Å; E1015-T1139 WeakPolarHBondContact O-CA 3.28Å; E1015-A1140 PolarHBondContact O-N 2.95Å; E1015-K1224 IonicContact OE1-NZ 2.72Å; E1015-K1224 PolarHBondContact OE1-NZ 3.01Å; E1015-K1224 WeakPolarHBondContact OE2-CE 3.47Å; E1015-K1224 IonicContact OE2-NZ 2.73Å; E1015-K1224 PolarHBondContact OE2-NZ 2.7Å
1016	N	84.4	Confident	80.8	Confident	22 Å²	22	36.5 Å²	36.5	12%	0.118	20%	0.198	C	C	.	.			trans	-134.4	163.2	168.8	68.5	31.2	0	0	0	111.8	S1014 Q1018 C1019 I1020 W1073 L1137 Q1138 T1139	S1014-N1016 PolarHBondContact O-N 2.91Å; N1016-Q1018 VanDerWaalsContact C-N 3.27Å; N1016-Q1018 PolarHBondContact O-N 3.09Å; N1016-Q1018 PolarHBondContact OD1-N 2.71Å; N1016-C1019 PolarHBondContact O-N 3.04Å; N1016-C1019 VanDerWaalsContact O-N 3.11Å; N1016-C1019 VanDerWaalsContact OD1-CB 3.27Å; N1016-C1019 WeakPolarHBondContact OD1-CB 3.47Å; N1016-C1019 PolarHBondContact OD1-N 3.1Å; N1016-I1020 WeakPolarHBondContact O-CG1 3.13Å; N1016-I1020 PolarHBondContact O-N 2.85Å; N1016-W1073 HydrophobicContact CB-CH2 4.42Å; N1016-L1137 PolarHBondContact ND2-O 3.37Å; N1016-Q1138 WeakPolarHBondContact CB-O 3.48Å; N1016-T1139 HydrophobicContact CB-CG2 4.26Å
1017	L	86	Confident	80.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-34.2	-175.4	-168.3	69	0	0	0	112.5	A1021 M1070 W1073 L1074 F1079 Y1085 I1127 I1136	L1017-A1021 WeakPolarHBondContact O-CB 3.45Å; L1017-A1021 PolarHBondContact O-N 3.31Å; L1017-M1070 HydrophobicContact CD1-CE 4.11Å; L1017-M1070 HydrophobicContact CD1-SD 3.85Å; L1017-W1073 HydrophobicContact CB-CE3 3.87Å; L1017-W1073 HydrophobicContact CB-CZ3 4.09Å; L1017-W1073 HydrophobicContact CD1-CB 4.01Å; L1017-W1073 HydrophobicContact CD1-CE3 4.25Å; L1017-L1074 HydrophobicContact CD1-CD2 4.38Å; L1017-F1079 HydrophobicContact CD2-CD1 4.16Å; L1017-F1079 HydrophobicContact CD2-CE1 3.83Å; L1017-F1079 HydrophobicContact CD2-CZ 4.16Å; L1017-Y1085 HydrophobicContact CD2-CD1 4.47Å; L1017-Y1085 HydrophobicContact CD2-CE1 3.86Å; L1017-I1127 HydrophobicContact CD2-CG2 4.49Å; L1017-I1136 HydrophobicContact CB-CB 4.24Å; L1017-I1136 HydrophobicContact CD2-CB 4.46Å; L1017-I1136 HydrophobicContact CD2-CG2 4.01Å; L1017-I1136 PolarHBondContact N-O 3.48Å
1018	Q	87	Confident	81.2	Confident	53 Å²	53	36.5 Å²	36.5	25%	0.248	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-43	175.2	-166.6	-171.3	55.8	0	0	111.8	N1016 A1021 L1022 V1128 I1136 L1137	N1016-Q1018 VanDerWaalsContact C-N 3.27Å; N1016-Q1018 PolarHBondContact O-N 3.09Å; N1016-Q1018 PolarHBondContact OD1-N 2.71Å; Q1018-A1021 PolarHBondContact O-N 3.41Å; Q1018-L1022 WeakPolarHBondContact O-CB 3.48Å; Q1018-L1022 PolarHBondContact O-N 3.18Å; Q1018-V1128 HydrophobicContact CG-CB 4.42Å; Q1018-V1128 HydrophobicContact CG-CG1 4.28Å; Q1018-V1128 HydrophobicContact CG-CG2 4.01Å; Q1018-I1136 HydrophobicContact CB-CD1 4.14Å; Q1018-I1136 HydrophobicContact CG-CD1 4.34Å; Q1018-I1136 PolarHBondContact N-O 3.06Å; Q1018-L1137 HydrophobicContact CB-CD2 4.26Å; Q1018-L1137 VanDerWaalsContact CD-CD2 3.49Å; Q1018-L1137 HydrophobicContact CG-CD2 4.43Å; Q1018-L1137 VanDerWaalsContact OE1-CD2 3.26Å
1019	C	84.6	Confident	81.5	Confident	37 Å²	37	42 Å²	42	25%	0.25	22%	0.216	C	C	.	.	H	α-helix	trans	-67	-42.9	179.3	-164.2	0	0	0	0	111.3	N1016 A1021 L1022 Q1023	N1016-C1019 PolarHBondContact O-N 3.04Å; N1016-C1019 VanDerWaalsContact O-N 3.11Å; N1016-C1019 VanDerWaalsContact OD1-CB 3.27Å; N1016-C1019 WeakPolarHBondContact OD1-CB 3.47Å; N1016-C1019 PolarHBondContact OD1-N 3.1Å; C1019-A1021 PolarHBondContact O-N 2.85Å; C1019-L1022 WeakPolarHBondContact O-CB 3.37Å; C1019-L1022 PolarHBondContact O-N 2.92Å; C1019-Q1023 WeakPolarHBondContact O-CG 3.4Å; C1019-Q1023 PolarHBondContact O-N 2.82Å
1020	I	86	Confident	81.6	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-41.2	176.3	-60	166.1	0	0	0	110.7	E1015 N1016 L1022 Q1023 L1024 K1069 M1070 W1073	E1015-I1020 HydrophobicContact CG-CD1 4.2Å; N1016-I1020 WeakPolarHBondContact O-CG1 3.13Å; N1016-I1020 PolarHBondContact O-N 2.85Å; I1020-L1022 PolarHBondContact O-N 2.72Å; I1020-Q1023 PolarHBondContact O-N 3.47Å; I1020-L1024 WeakPolarHBondContact O-CB 3.26Å; I1020-L1024 PolarHBondContact O-N 3.11Å; I1020-K1069 HydrophobicContact CG2-CB 4.17Å; I1020-M1070 HydrophobicContact CB-SD 4.32Å; I1020-M1070 HydrophobicContact CG2-CB 3.87Å; I1020-M1070 HydrophobicContact CG2-CG 4.43Å; I1020-M1070 HydrophobicContact CG2-SD 3.73Å; I1020-W1073 VanDerWaalsContact CD1-CD1 3.47Å; I1020-W1073 HydrophobicContact CD1-CD2 4.07Å; I1020-W1073 HydrophobicContact CD1-CG 3.85Å
1021	A	88.7	Confident	82.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-41.6	173.4	0	0	0	0	0	112.2	L1017 Q1018 C1019 L1024 S1025 M1070 C1124 I1127 V1128	L1017-A1021 WeakPolarHBondContact O-CB 3.45Å; L1017-A1021 PolarHBondContact O-N 3.31Å; Q1018-A1021 PolarHBondContact O-N 3.41Å; C1019-A1021 PolarHBondContact O-N 2.85Å; A1021-L1024 PolarHBondContact O-N 3.26Å; A1021-S1025 WeakPolarHBondContact O-CB 3.43Å; A1021-S1025 PolarHBondContact O-N 2.94Å; A1021-M1070 HydrophobicContact CB-CE 4.28Å; A1021-C1124 HydrophobicContact CB-CB 4.27Å; A1021-C1124 WeakPolarHBondContact O-CB 3.38Å; A1021-I1127 HydrophobicContact CB-CB 4.29Å; A1021-I1127 HydrophobicContact CB-CG2 4.17Å; A1021-V1128 HydrophobicContact CB-CG2 4.22Å
1022	L	86.7	Confident	82.6	Confident	90 Å²	90	39.1 Å²	39.1	47%	0.471	21%	0.205	S	C	.	.	H	α-helix	trans	-60.3	-45.9	173.1	-97.7	157.4	0	0	0	112.3	Q1018 C1019 I1020 S1025 A1026 V1128	Q1018-L1022 WeakPolarHBondContact O-CB 3.48Å; Q1018-L1022 PolarHBondContact O-N 3.18Å; C1019-L1022 WeakPolarHBondContact O-CB 3.37Å; C1019-L1022 PolarHBondContact O-N 2.92Å; I1020-L1022 PolarHBondContact O-N 2.72Å; L1022-S1025 PolarHBondContact O-N 3.04Å; L1022-A1026 WeakPolarHBondContact O-CB 3.4Å; L1022-A1026 PolarHBondContact O-N 2.78Å; L1022-V1128 HydrophobicContact CD1-CG2 4.49Å; L1022-V1128 HydrophobicContact CG-CG2 4.03Å
1023	Q	85.3	Confident	82.8	Confident	58 Å²	58	43.9 Å²	43.9	27%	0.271	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-42.1	177.8	-69.1	179	24.5	0	0	111.7	C1019 I1020 A1026 K1027	C1019-Q1023 WeakPolarHBondContact O-CG 3.4Å; C1019-Q1023 PolarHBondContact O-N 2.82Å; I1020-Q1023 PolarHBondContact O-N 3.47Å; Q1023-A1026 PolarHBondContact O-N 2.67Å; Q1023-K1027 WeakPolarHBondContact O-CG 3.38Å; Q1023-K1027 PolarHBondContact O-N 3.04Å
1024	L	88.6	Confident	83.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-38.9	177	-171.1	61.9	0	0	0	112.3	I1020 A1021 S1028 L1063 Q1066 M1070 I1092 L1120	I1020-L1024 WeakPolarHBondContact O-CB 3.26Å; I1020-L1024 PolarHBondContact O-N 3.11Å; A1021-L1024 PolarHBondContact O-N 3.26Å; L1024-S1028 WeakPolarHBondContact O-CB 3.35Å; L1024-S1028 PolarHBondContact O-N 3.28Å; L1024-L1063 HydrophobicContact CD1-CD1 3.98Å; L1024-Q1066 HydrophobicContact CD1-CB 3.97Å; L1024-M1070 HydrophobicContact CD2-CB 4.25Å; L1024-M1070 HydrophobicContact CD2-CG 4.06Å; L1024-I1092 HydrophobicContact CD2-CG2 4.23Å; L1024-L1120 HydrophobicContact CD2-CD1 4.29Å
1025	S	89.3	Confident	83.7	Confident	3 Å²	3	37 Å²	37	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-46.6	172.3	-168.2	0	0	0	0	111.1	A1021 L1022 K1027 S1028 R1029 D1125	A1021-S1025 WeakPolarHBondContact O-CB 3.43Å; A1021-S1025 PolarHBondContact O-N 2.94Å; L1022-S1025 PolarHBondContact O-N 3.04Å; S1025-K1027 PolarHBondContact O-N 3.21Å; S1025-S1028 PolarHBondContact O-N 2.95Å; S1025-R1029 WeakPolarHBondContact O-CB 3.43Å; S1025-R1029 WeakPolarHBondContact O-CD 3.39Å; S1025-R1029 WeakPolarHBondContact O-CG 3.32Å; S1025-R1029 PolarHBondContact O-N 3.48Å; S1025-R1029 PolarHBondContact OG-NE 3.43Å; S1025-D1125 WeakPolarHBondContact CB-OD1 3.4Å; S1025-D1125 PolarHBondContact OG-OD1 3.33Å
1026	A	84.1	Confident	83.3	Confident	46 Å²	46	43.1 Å²	43.1	38%	0.38	21%	0.207	S	C	.	.	H	α-helix	trans	-58.5	-47.6	176.9	0	0	0	0	0	112.2	L1022 Q1023 S1028 R1029 N1030	L1022-A1026 WeakPolarHBondContact O-CB 3.4Å; L1022-A1026 PolarHBondContact O-N 2.78Å; Q1023-A1026 PolarHBondContact O-N 2.67Å; A1026-S1028 PolarHBondContact O-N 3.43Å; A1026-R1029 WeakPolarHBondContact O-CB 3.3Å; A1026-R1029 PolarHBondContact O-N 2.76Å; A1026-N1030 PolarHBondContact O-N 3Å; A1026-N1030 PolarHBondContact O-OD1 2.97Å
1027	K	83.5	Confident	82.4	Confident	50 Å²	50	46 Å²	46	22%	0.217	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-37.3	177.8	-68.9	-67.9	179.1	174.7	0	113.2	Q1023 S1025 R1029 N1030 L1031 E1059 C1062 L1063 Q1066	Q1023-K1027 WeakPolarHBondContact O-CG 3.38Å; Q1023-K1027 PolarHBondContact O-N 3.04Å; S1025-K1027 PolarHBondContact O-N 3.21Å; K1027-R1029 VanDerWaalsContact C-N 3.35Å; K1027-R1029 PolarHBondContact O-N 3.43Å; K1027-N1030 PolarHBondContact O-N 2.93Å; K1027-L1031 PolarHBondContact O-N 2.89Å; K1027-E1059 WeakPolarHBondContact CD-OE2 3.47Å; K1027-E1059 IonicContact NZ-OE1 2.66Å; K1027-E1059 PolarHBondContact NZ-OE1 3.33Å; K1027-E1059 IonicContact NZ-OE2 3.11Å; K1027-E1059 PolarHBondContact NZ-OE2 2.89Å; K1027-C1062 HydrophobicContact CD-CB 3.55Å; K1027-C1062 HydrophobicContact CG-CB 4.23Å; K1027-C1062 PolarHBondContact NZ-SG 3.49Å; K1027-L1063 HydrophobicContact CB-CD1 4.23Å; K1027-Q1066 HydrophobicContact CG-CG 4.44Å
1028	S	85.8	Confident	81.3	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-36.5	172.2	-165.6	0	0	0	0	112.7	L1024 S1025 A1026 M1032 C1117	L1024-S1028 WeakPolarHBondContact O-CB 3.35Å; L1024-S1028 PolarHBondContact O-N 3.28Å; S1025-S1028 PolarHBondContact O-N 2.95Å; A1026-S1028 PolarHBondContact O-N 3.43Å; S1028-M1032 PolarHBondContact O-N 2.61Å; S1028-M1032 VanDerWaalsContact O-N 3.07Å; S1028-C1117 WeakPolarHBondContact OG-CA 3.12Å; S1028-C1117 WeakPolarHBondContact OG-CB 3.33Å; S1028-C1117 PolarHBondContact OG-O 2.97Å
1029	R	87.2	Confident	79.8	Confident	128 Å²	128	50.4 Å²	50.4	48%	0.483	26%	0.256	S	S	.	.	H	α-helix	trans	-69	-40.7	175	-68.7	165.2	-173.1	-149.1	0.3	112.1	S1025 A1026 K1027 M1032 H1033 D1125	S1025-R1029 WeakPolarHBondContact O-CB 3.43Å; S1025-R1029 WeakPolarHBondContact O-CD 3.39Å; S1025-R1029 WeakPolarHBondContact O-CG 3.32Å; S1025-R1029 PolarHBondContact O-N 3.48Å; S1025-R1029 PolarHBondContact OG-NE 3.43Å; A1026-R1029 WeakPolarHBondContact O-CB 3.3Å; A1026-R1029 PolarHBondContact O-N 2.76Å; K1027-R1029 VanDerWaalsContact C-N 3.35Å; K1027-R1029 PolarHBondContact O-N 3.43Å; R1029-M1032 WeakPolarHBondContact O-CB 3.38Å; R1029-M1032 PolarHBondContact O-N 2.87Å; R1029-H1033 PolarHBondContact O-N 2.92Å; R1029-D1125 IonicContact CZ-OD1 3.15Å; R1029-D1125 IonicContact CZ-OD2 2.95Å; R1029-D1125 IonicContact NH2-OD1 2.59Å; R1029-D1125 PolarHBondContact NH2-OD1 2.93Å; R1029-D1125 IonicContact NH2-OD2 3.4Å; R1029-D1125 PolarHBondContact NH2-OD2 3.4Å
1030	N	81.2	Confident	78	Confident	70 Å²	70	53.6 Å²	53.6	37%	0.374	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-50.4	173.5	-76.1	11.3	0	0	0	111.6	A1026 K1027 M1032 H1033 D1034 E1059	A1026-N1030 PolarHBondContact O-N 3Å; A1026-N1030 PolarHBondContact O-OD1 2.97Å; K1027-N1030 PolarHBondContact O-N 2.93Å; N1030-M1032 PolarHBondContact O-N 3.32Å; N1030-H1033 WeakPolarHBondContact O-CB 3.25Å; N1030-H1033 PolarHBondContact O-N 2.83Å; N1030-D1034 PolarHBondContact O-N 2.87Å; N1030-E1059 HydrophobicContact CB-CG 4.1Å; N1030-E1059 PolarHBondContact ND2-OE1 2.81Å
1031	L	82.7	Confident	75.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.9	-38.7	175.8	-178.1	60.3	0	0	0	111.6	K1027 L1035 I1056 E1059 L1060 L1063 I1099 I1103	K1027-L1031 PolarHBondContact O-N 2.89Å; L1031-L1035 HydrophobicContact CD1-CD1 4.17Å; L1031-L1035 HydrophobicContact CD1-CG 4.37Å; L1031-L1035 HydrophobicContact CG-CD1 4Å; L1031-L1035 VanDerWaalsContact O-CB 3.29Å; L1031-L1035 WeakPolarHBondContact O-CB 3.24Å; L1031-L1035 WeakPolarHBondContact O-CD1 3.35Å; L1031-L1035 WeakPolarHBondContact O-CG 3.35Å; L1031-L1035 PolarHBondContact O-N 3.49Å; L1031-I1056 HydrophobicContact CD1-CG2 3.94Å; L1031-E1059 HydrophobicContact CB-CB 4.47Å; L1031-E1059 HydrophobicContact CD1-CB 4.49Å; L1031-L1060 HydrophobicContact CD2-CD2 4.39Å; L1031-L1063 HydrophobicContact CD2-CD2 4.05Å; L1031-I1099 HydrophobicContact CD2-CG2 3.74Å; L1031-I1103 HydrophobicContact CD2-CD1 4.46Å
1032	M	82.7	Confident	73.1	Confident	19 Å²	19	68.7 Å²	68.7	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-65.8	-36.8	173.3	-116.9	-167.8	-58.6	0	0	113.8	S1028 R1029 N1030 R1036 C1117	S1028-M1032 PolarHBondContact O-N 2.61Å; S1028-M1032 VanDerWaalsContact O-N 3.07Å; R1029-M1032 WeakPolarHBondContact O-CB 3.38Å; R1029-M1032 PolarHBondContact O-N 2.87Å; N1030-M1032 PolarHBondContact O-N 3.32Å; M1032-R1036 WeakPolarHBondContact O-CB 3.4Å; M1032-R1036 VanDerWaalsContact O-CG 3.24Å; M1032-R1036 WeakPolarHBondContact O-CG 3.36Å; M1032-R1036 PolarHBondContact O-N 2.78Å; M1032-R1036 VanDerWaalsContact O-N 3.1Å; M1032-C1117 HydrophobicContact CE-CB 3.93Å; M1032-C1117 HydrophobicContact CG-CB 3.84Å; M1032-C1117 HydrophobicContact SD-CB 4.26Å
1033	H	78.3	Confident	70.5	Confident	113 Å²	113	68.1 Å²	68.1	52%	0.523	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-51.5	176.7	172.9	-87.3	0	0	0	110.6	R1029 N1030 L1035 R1036 C1037	R1029-H1033 PolarHBondContact O-N 2.92Å; N1030-H1033 WeakPolarHBondContact O-CB 3.25Å; N1030-H1033 PolarHBondContact O-N 2.83Å; H1033-L1035 PolarHBondContact O-N 3.35Å; H1033-R1036 CarbonylContact O-C 3.55Å; H1033-R1036 WeakPolarHBondContact O-CA 3.42Å; H1033-R1036 WeakPolarHBondContact O-CB 3.34Å; H1033-R1036 PolarHBondContact O-N 3.09Å; H1033-C1037 PolarHBondContact CE1-SG 3.01Å; H1033-C1037 PolarHBondContact O-N 3.04Å; H1033-C1037 PolarHBondContact O-SG 3.33Å; H1033-C1037 VanDerWaalsContact O-SG 3.42Å
1034	D	73.2	Confident	67.9	Low	40 Å²	40	70.3 Å²	70.3	21%	0.214	39%	0.39	C	S	.	.	H	α-helix	trans	-63.4	-42.5	-180	-88.2	34.7	0	0	0	112.2	N1030 R1036 C1037 L1038 S1055 I1056	N1030-D1034 PolarHBondContact O-N 2.87Å; D1034-R1036 PolarHBondContact O-N 3.13Å; D1034-C1037 PolarHBondContact O-N 3.17Å; D1034-L1038 WeakPolarHBondContact O-CG 3.32Å; D1034-L1038 PolarHBondContact O-N 3.24Å; D1034-S1055 WeakPolarHBondContact OD2-CB 3.45Å; D1034-S1055 PolarHBondContact OD2-OG 3.01Å; D1034-I1056 HydrophobicContact CB-CD1 4.28Å; D1034-I1056 HydrophobicContact CB-CG1 4.12Å
1035	L	74.2	Confident	65.4	Low	13 Å²	13	79.8 Å²	79.8	7%	0.068	43%	0.431	C	S	.	.	H	α-helix	trans	-60.4	-31.4	172.3	-74.6	168.9	0	0	0	112.9	L1031 H1033 V1039 I1056 V1110 T1113	L1031-L1035 HydrophobicContact CD1-CD1 4.17Å; L1031-L1035 HydrophobicContact CD1-CG 4.37Å; L1031-L1035 HydrophobicContact CG-CD1 4Å; L1031-L1035 VanDerWaalsContact O-CB 3.29Å; L1031-L1035 WeakPolarHBondContact O-CB 3.24Å; L1031-L1035 WeakPolarHBondContact O-CD1 3.35Å; L1031-L1035 WeakPolarHBondContact O-CG 3.35Å; L1031-L1035 PolarHBondContact O-N 3.49Å; H1033-L1035 PolarHBondContact O-N 3.35Å; L1035-V1039 WeakPolarHBondContact O-CG2 3.48Å; L1035-I1056 HydrophobicContact CD2-CD1 3.59Å; L1035-I1056 HydrophobicContact CG-CD1 3.9Å; L1035-V1110 HydrophobicContact CB-CG1 4.09Å; L1035-V1110 HydrophobicContact CD2-CG1 4.44Å; L1035-T1113 HydrophobicContact CD1-CG2 3.49Å; L1035-T1113 VanDerWaalsContact CD1-CG2 3.49Å
1036	R	70.1	Confident	62.8	Low	160 Å²	160	90.8 Å²	90.8	60%	0.604	47%	0.472	S	S	*	.	H	α-helix	trans	-77.2	-36.9	174	-76.8	174	-177.3	-174.3	4.7	112.5	M1032 H1033 D1034 L1038 V1039	M1032-R1036 WeakPolarHBondContact O-CB 3.4Å; M1032-R1036 VanDerWaalsContact O-CG 3.24Å; M1032-R1036 WeakPolarHBondContact O-CG 3.36Å; M1032-R1036 PolarHBondContact O-N 2.78Å; M1032-R1036 VanDerWaalsContact O-N 3.1Å; H1033-R1036 CarbonylContact O-C 3.55Å; H1033-R1036 WeakPolarHBondContact O-CA 3.42Å; H1033-R1036 WeakPolarHBondContact O-CB 3.34Å; H1033-R1036 PolarHBondContact O-N 3.09Å; D1034-R1036 PolarHBondContact O-N 3.13Å; R1036-L1038 PolarHBondContact O-N 2.77Å; R1036-V1039 PolarHBondContact O-N 3.3Å
1037	C	64.9	Low	60.8	Low	83 Å²	83	94.6 Å²	94.6	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-61.2	-26.5	174.8	-70.8	0	0	0	0	112.7	H1033 D1034	H1033-C1037 PolarHBondContact CE1-SG 3.01Å; H1033-C1037 PolarHBondContact O-N 3.04Å; H1033-C1037 PolarHBondContact O-SG 3.33Å; H1033-C1037 VanDerWaalsContact O-SG 3.42Å; D1034-C1037 PolarHBondContact O-N 3.17Å
1038	L	62.6	Low	58.7	Low	63 Å²	63	97.9 Å²	97.9	33%	0.33	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.2	173.1	-63.4	172	0	0	0	114.5	D1034 R1036 W1049 P1053 I1056	D1034-L1038 WeakPolarHBondContact O-CG 3.32Å; D1034-L1038 PolarHBondContact O-N 3.24Å; R1036-L1038 PolarHBondContact O-N 2.77Å; L1038-W1049 HydrophobicContact CD2-CH2 3.98Å; L1038-W1049 HydrophobicContact CD2-CZ2 3.78Å; L1038-P1053 HydrophobicContact CD1-CG 4.12Å; L1038-P1053 HydrophobicContact CD2-CG 4.21Å; L1038-I1056 HydrophobicContact CD1-CD1 3.46Å; L1038-I1056 VanDerWaalsContact CD1-CD1 3.46Å; L1038-I1056 HydrophobicContact CD1-CG1 4.36Å
1039	V	55.9	Low	56.9	Low	82 Å²	82	103.2 Å²	103.2	50%	0.497	52%	0.522	S	S	.	.	S	Bend	trans	-116.8	91.6	-176.7	-179	0	0	0	0	110.7	L1035 R1036 P1041 V1110	L1035-V1039 WeakPolarHBondContact O-CG2 3.48Å; R1036-V1039 PolarHBondContact O-N 3.3Å; V1039-P1041 WeakPolarHBondContact O-CD 3.44Å; V1039-V1110 HydrophobicContact CG2-CB 4.35Å; V1039-V1110 HydrophobicContact CG2-CG1 4.04Å; V1039-V1110 HydrophobicContact CG2-CG2 4.16Å
1040	T	47.4	Very low	54.8	Low	104 Å²	104	106 Å²	106	64%	0.638	54%	0.54	S	S	*	.			trans	-72.7	125.1	-178.7	44	0	0	0	0	112.8	K1042	T1040-K1042 PolarHBondContact O-N 2.82Å
1041	P	37.4	Very low	53.2	Low	120 Å²	120	104.6 Å²	104.6	78%	0.779	53%	0.534	S	S	*	.	S	Bend	trans	-73.5	118.9	171.7	28.8	-32.1	0	0	0	110.2	V1039	V1039-P1041 WeakPolarHBondContact O-CD 3.44Å
1042	K	33.9	Very low	52.1	Low	201 Å²	201	106.2 Å²	106.2	87%	0.874	54%	0.543	S	S	*	.	S	Bend	trans	90	100.5	178.4	-52.6	167.2	-176.4	174.8	0	116.2	T1040	T1040-K1042 PolarHBondContact O-N 2.82Å
1043	G	32.9	Very low	51.2	Low	78 Å²	78	106.9 Å²	106.9	80%	0.804	55%	0.549	S	S	*	.	S	Bend		89.5	15.5	122.3	0	0	0	0	0	119.7
1044	S	30.9	Very low	50	Low	104 Å²	104	104.6 Å²	104.6	73%	0.727	54%	0.54	S	S	*	.	S	Bend	trans	-146	132.7	171.6	-83.9	0	0	0	0	113.7
1045	K	34.8	Very low	49.5	Very low	199 Å²	199	105.3 Å²	105.3	87%	0.865	55%	0.548	S	S	*	.			trans	30.3	109.4	171.3	-65.5	-175.2	178.3	-178.3	0	117	L1047	K1045-L1047 PolarHBondContact O-N 3.22Å
1046	R	35.6	Very low	49.3	Very low	233 Å²	233	104.7 Å²	104.7	88%	0.879	55%	0.545	S	S	*	.			trans	-55.1	111.8	156.3	-74.3	179	174.5	168.1	-2.8	108.7
1047	L	40.8	Very low	49.2	Very low	126 Å²	126	98.2 Å²	98.2	66%	0.66	52%	0.522	S	S	*	.			trans	-80.4	115	162.4	-82.6	156.5	0	0	0	107.3	K1045 W1049	K1045-L1047 PolarHBondContact O-N 3.22Å; L1047-W1049 HydrophobicContact CB-CZ2 4.49Å; L1047-W1049 HydrophobicContact CD1-CZ2 4.12Å; L1047-W1049 VanDerWaalsContact O-CD1 3.27Å; L1047-W1049 PolarHBondContact O-N 2.78Å
1048	E	39.8	Very low	49.1	Very low	120 Å²	120	96 Å²	96	56%	0.561	51%	0.508	S	S	*	.			trans	-82.6	106.4	165.9	-57.4	-158.7	159.2	0	0	106.9	E1050 R1108	E1048-E1050 PolarHBondContact O-N 2.88Å; E1048-R1108 IonicContact OE1-CZ 2.68Å; E1048-R1108 VanDerWaalsContact OE1-CZ 3.31Å; E1048-R1108 IonicContact OE1-NH1 3.43Å; E1048-R1108 PolarHBondContact OE1-NH1 2.75Å; E1048-R1108 IonicContact OE1-NH2 2.57Å; E1048-R1108 PolarHBondContact OE1-NH2 2.85Å; E1048-R1108 VanDerWaalsContact OE1-NH2 3.13Å; E1048-R1108 IonicContact OE2-CZ 3.87Å; E1048-R1108 IonicContact OE2-NH1 3.13Å; E1048-R1108 IonicContact OE2-NH2 3.31Å; E1048-R1108 PolarHBondContact OE2-NH2 3.46Å
1049	W	47.5	Very low	49.8	Very low	111 Å²	111	94.2 Å²	94.2	42%	0.42	50%	0.498	S	S	.	.			trans	-83.4	106.4	-178.2	-62.6	85.3	0	0	0	109.7	L1038 L1047 V1051 P1053	L1038-W1049 HydrophobicContact CD2-CH2 3.98Å; L1038-W1049 HydrophobicContact CD2-CZ2 3.78Å; L1047-W1049 HydrophobicContact CB-CZ2 4.49Å; L1047-W1049 HydrophobicContact CD1-CZ2 4.12Å; L1047-W1049 VanDerWaalsContact O-CD1 3.27Å; L1047-W1049 PolarHBondContact O-N 2.78Å; W1049-V1051 VanDerWaalsContact C-N 3.31Å; W1049-P1053 HydrophobicContact CZ3-CG 4.34Å
1050	E	43.9	Very low	50.7	Low	187 Å²	187	90.7 Å²	90.7	87%	0.874	48%	0.476	S	S	*	.	S	Bend	trans	-74.1	-23.1	170.2	-66.1	-174.7	133.3	0	0	112.4	E1048	E1048-E1050 PolarHBondContact O-N 2.88Å
1051	V	47.8	Very low	51.8	Low	41 Å²	41	87.5 Å²	87.5	25%	0.248	46%	0.458	C	S	.	.	S	Bend	trans	-132.9	138.6	-178	-173.8	0	0	0	0	110.5	W1049 Y1372 C1375	W1049-V1051 VanDerWaalsContact C-N 3.31Å; V1051-Y1372 HydrophobicContact CG1-CE2 3.88Å; V1051-C1375 HydrophobicContact CG2-CB 4.27Å
1052	L	60.4	Low	53.5	Low	33 Å²	33	82.9 Å²	82.9	17%	0.173	43%	0.428	C	S	.	.			trans	-80.9	141.9	-179.8	-76.5	155.8	0	0	0	112.5	I1056 L1057 I1103 Y1372	L1052-I1056 HydrophobicContact CD2-CG2 4.15Å; L1052-L1057 HydrophobicContact CB-CD1 4.09Å; L1052-L1057 HydrophobicContact CB-CD2 4.26Å; L1052-L1057 HydrophobicContact CB-CG 4.1Å; L1052-L1057 HydrophobicContact CD1-CD2 4.26Å; L1052-I1103 HydrophobicContact CD1-CG2 3.45Å; L1052-I1103 VanDerWaalsContact CD1-CG2 3.45Å; L1052-I1103 HydrophobicContact CD2-CG2 3.8Å; L1052-I1103 HydrophobicContact CG-CG2 4.29Å; L1052-Y1372 PolarHBondContact O-OH 3.2Å; L1052-Y1372 VanDerWaalsContact O-OH 3.08Å
1053	P	63.6	Low	55.7	Low	34 Å²	34	73.4 Å²	73.4	22%	0.221	39%	0.387	C	S	.	.			trans	-61.6	145.5	171.8	-23.1	34.6	0	0	0	112.9	L1038 W1049 S1055 I1056 L1057	L1038-P1053 HydrophobicContact CD1-CG 4.12Å; L1038-P1053 HydrophobicContact CD2-CG 4.21Å; W1049-P1053 HydrophobicContact CZ3-CG 4.34Å; P1053-S1055 PolarHBondContact O-N 3.14Å; P1053-I1056 PolarHBondContact O-N 3.38Å; P1053-L1057 PolarHBondContact O-N 3.13Å
1054	N	52.5	Low	57.8	Low	65 Å²	65	70.1 Å²	70.1	35%	0.348	35%	0.352	S	S	.	.	H	α-helix	trans	-54.6	-36.1	178.3	-81.9	-75.9	0	0	0	113.3	L1057 S1058 Y1372	N1054-L1057 PolarHBondContact O-N 3.4Å; N1054-S1058 WeakPolarHBondContact O-CB 3.35Å; N1054-S1058 PolarHBondContact O-N 3.47Å; N1054-Y1372 PolarHBondContact ND2-OH 3.18Å; N1054-Y1372 WeakPolarHBondContact OD1-CE1 3Å; N1054-Y1372 PolarHBondContact OD1-OH 3.3Å
1055	S	62	Low	59.7	Low	54 Å²	54	70.1 Å²	70.1	38%	0.378	34%	0.341	S	S	.	.	H	α-helix	trans	-65.3	-41.3	-179.4	64.5	0	0	0	0	112.5	D1034 P1053 L1057 S1058 E1059	D1034-S1055 WeakPolarHBondContact OD2-CB 3.45Å; D1034-S1055 PolarHBondContact OD2-OG 3.01Å; P1053-S1055 PolarHBondContact O-N 3.14Å; S1055-L1057 VanDerWaalsContact C-N 3.28Å; S1055-L1057 PolarHBondContact O-N 2.84Å; S1055-S1058 PolarHBondContact O-N 3.46Å; S1055-E1059 WeakPolarHBondContact O-CB 3.45Å; S1055-E1059 PolarHBondContact O-N 2.9Å
1056	I	71.3	Confident	61.9	Low	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.1	-33.5	176.3	-62.7	-144	0	0	0	111.6	L1031 D1034 L1035 L1038 L1052 P1053 L1060	L1031-I1056 HydrophobicContact CD1-CG2 3.94Å; D1034-I1056 HydrophobicContact CB-CD1 4.28Å; D1034-I1056 HydrophobicContact CB-CG1 4.12Å; L1035-I1056 HydrophobicContact CD2-CD1 3.59Å; L1035-I1056 HydrophobicContact CG-CD1 3.9Å; L1038-I1056 HydrophobicContact CD1-CD1 3.46Å; L1038-I1056 VanDerWaalsContact CD1-CD1 3.46Å; L1038-I1056 HydrophobicContact CD1-CG1 4.36Å; L1052-I1056 HydrophobicContact CD2-CG2 4.15Å; P1053-I1056 PolarHBondContact O-N 3.38Å; I1056-L1060 HydrophobicContact CG2-CD1 4.36Å; I1056-L1060 VanDerWaalsContact O-CB 3.28Å; I1056-L1060 WeakPolarHBondContact O-CB 3.29Å; I1056-L1060 VanDerWaalsContact O-CG 3.31Å; I1056-L1060 WeakPolarHBondContact O-CG 3.3Å; I1056-L1060 PolarHBondContact O-N 3.2Å
1057	L	66.4	Low	64.3	Low	25 Å²	25	50.8 Å²	50.8	13%	0.131	26%	0.264	C	S	.	.	H	α-helix	trans	-75.2	-38.7	176.9	-66.5	163.5	0	0	0	112	L1052 P1053 N1054 S1055 L1060 S1061 F1368 Y1372	L1052-L1057 HydrophobicContact CB-CD1 4.09Å; L1052-L1057 HydrophobicContact CB-CD2 4.26Å; L1052-L1057 HydrophobicContact CB-CG 4.1Å; L1052-L1057 HydrophobicContact CD1-CD2 4.26Å; P1053-L1057 PolarHBondContact O-N 3.13Å; N1054-L1057 PolarHBondContact O-N 3.4Å; S1055-L1057 VanDerWaalsContact C-N 3.28Å; S1055-L1057 PolarHBondContact O-N 2.84Å; L1057-L1060 HydrophobicContact CD2-CD1 4.48Å; L1057-L1060 PolarHBondContact O-N 3.29Å; L1057-S1061 PolarHBondContact O-N 2.82Å; L1057-F1368 HydrophobicContact CD2-CD1 4.09Å; L1057-F1368 HydrophobicContact CD2-CE1 3.65Å; L1057-Y1372 HydrophobicContact CD1-CD1 4.2Å; L1057-Y1372 HydrophobicContact CD1-CD2 3.46Å; L1057-Y1372 VanDerWaalsContact CD1-CD2 3.46Å; L1057-Y1372 HydrophobicContact CD1-CE1 3.89Å; L1057-Y1372 HydrophobicContact CD1-CE2 3.09Å; L1057-Y1372 HydrophobicContact CD1-CG 3.99Å
1058	S	64.7	Low	66	Low	37 Å²	37	48.7 Å²	48.7	26%	0.259	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-46	172.4	-173	0	0	0	0	111.6	N1054 S1055 S1061 C1062	N1054-S1058 WeakPolarHBondContact O-CB 3.35Å; N1054-S1058 PolarHBondContact O-N 3.47Å; S1055-S1058 PolarHBondContact O-N 3.46Å; S1058-S1061 WeakPolarHBondContact O-CB 3.34Å; S1058-S1061 PolarHBondContact O-N 2.68Å; S1058-C1062 PolarHBondContact O-N 3.05Å; S1058-C1062 PolarHBondContact O-SG 2.89Å
1059	E	75.7	Confident	67.9	Low	24 Å²	24	45.2 Å²	45.2	11%	0.112	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-32.8	175.7	-76.4	-64	166.3	0	0	112.7	K1027 N1030 L1031 S1055 C1062 L1063	K1027-E1059 WeakPolarHBondContact CD-OE2 3.47Å; K1027-E1059 IonicContact NZ-OE1 2.66Å; K1027-E1059 PolarHBondContact NZ-OE1 3.33Å; K1027-E1059 IonicContact NZ-OE2 3.11Å; K1027-E1059 PolarHBondContact NZ-OE2 2.89Å; N1030-E1059 HydrophobicContact CB-CG 4.1Å; N1030-E1059 PolarHBondContact ND2-OE1 2.81Å; L1031-E1059 HydrophobicContact CB-CB 4.47Å; L1031-E1059 HydrophobicContact CD1-CB 4.49Å; S1055-E1059 WeakPolarHBondContact O-CB 3.45Å; S1055-E1059 PolarHBondContact O-N 2.9Å; E1059-C1062 PolarHBondContact O-N 3.39Å; E1059-L1063 VanDerWaalsContact O-CB 3.24Å; E1059-L1063 WeakPolarHBondContact O-CB 3.44Å; E1059-L1063 PolarHBondContact O-N 2.87Å
1060	L	76.2	Confident	69.6	Low	8 Å²	8	40 Å²	40	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-41.2	169.1	-89.2	172.1	0	0	0	112.7	L1031 I1056 L1057 L1063 A1064 I1099 I1100 I1103	L1031-L1060 HydrophobicContact CD2-CD2 4.39Å; I1056-L1060 HydrophobicContact CG2-CD1 4.36Å; I1056-L1060 VanDerWaalsContact O-CB 3.28Å; I1056-L1060 WeakPolarHBondContact O-CB 3.29Å; I1056-L1060 VanDerWaalsContact O-CG 3.31Å; I1056-L1060 WeakPolarHBondContact O-CG 3.3Å; I1056-L1060 PolarHBondContact O-N 3.2Å; L1057-L1060 HydrophobicContact CD2-CD1 4.48Å; L1057-L1060 PolarHBondContact O-N 3.29Å; L1060-L1063 PolarHBondContact O-N 3.29Å; L1060-A1064 WeakPolarHBondContact O-CB 3.34Å; L1060-A1064 PolarHBondContact O-N 3.41Å; L1060-I1099 HydrophobicContact CD2-CG2 4.1Å; L1060-I1100 HydrophobicContact CD2-CG1 4.05Å; L1060-I1103 HydrophobicContact CD1-CD1 4.06Å; L1060-I1103 HydrophobicContact CD1-CG2 4Å; L1060-I1103 HydrophobicContact CD2-CD1 3.99Å; L1060-I1103 HydrophobicContact CG-CD1 4.25Å
1061	S	69.4	Low	71.5	Confident	38 Å²	38	31.1 Å²	31.1	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-63.6	-49.4	175.6	-163.5	0	0	0	0	110.7	L1057 S1058 L1063 A1064 E1065	L1057-S1061 PolarHBondContact O-N 2.82Å; S1058-S1061 WeakPolarHBondContact O-CB 3.34Å; S1058-S1061 PolarHBondContact O-N 2.68Å; S1061-L1063 VanDerWaalsContact C-N 3.3Å; S1061-L1063 PolarHBondContact O-N 3.45Å; S1061-A1064 PolarHBondContact O-N 2.68Å; S1061-E1065 WeakPolarHBondContact O-CB 3.35Å; S1061-E1065 PolarHBondContact O-N 3.24Å
1062	C	73	Confident	72.9	Confident	23 Å²	23	30 Å²	30	16%	0.155	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-40.5	176.1	-65.2	0	0	0	0	112.4	K1027 S1058 E1059 E1065 Q1066	K1027-C1062 HydrophobicContact CD-CB 3.55Å; K1027-C1062 HydrophobicContact CG-CB 4.23Å; K1027-C1062 PolarHBondContact NZ-SG 3.49Å; S1058-C1062 PolarHBondContact O-N 3.05Å; S1058-C1062 PolarHBondContact O-SG 2.89Å; E1059-C1062 PolarHBondContact O-N 3.39Å; C1062-E1065 PolarHBondContact O-N 2.97Å; C1062-Q1066 WeakPolarHBondContact O-CB 3.28Å; C1062-Q1066 WeakPolarHBondContact O-CG 3.37Å; C1062-Q1066 PolarHBondContact O-N 3.36Å
1063	L	81.6	Confident	73.9	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-45.1	178	-168.7	80	0	0	0	111	L1024 K1027 L1031 E1059 L1060 S1061 T1067 I1099 L1120	L1024-L1063 HydrophobicContact CD1-CD1 3.98Å; K1027-L1063 HydrophobicContact CB-CD1 4.23Å; L1031-L1063 HydrophobicContact CD2-CD2 4.05Å; E1059-L1063 VanDerWaalsContact O-CB 3.24Å; E1059-L1063 WeakPolarHBondContact O-CB 3.44Å; E1059-L1063 PolarHBondContact O-N 2.87Å; L1060-L1063 PolarHBondContact O-N 3.29Å; S1061-L1063 VanDerWaalsContact C-N 3.3Å; S1061-L1063 PolarHBondContact O-N 3.45Å; L1063-T1067 WeakPolarHBondContact O-CB 3.35Å; L1063-T1067 PolarHBondContact O-N 2.87Å; L1063-T1067 PolarHBondContact O-OG1 3.44Å; L1063-I1099 HydrophobicContact CD2-CD1 4.25Å; L1063-I1099 HydrophobicContact CD2-CG2 4.1Å; L1063-L1120 HydrophobicContact CD1-CD2 4.03Å
1064	A	75.7	Confident	74.8	Confident	9 Å²	9	27.5 Å²	27.5	7%	0.074	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-38.9	178.1	0	0	0	0	0	112.2	L1060 S1061 T1067 K1068 L1365	L1060-A1064 WeakPolarHBondContact O-CB 3.34Å; L1060-A1064 PolarHBondContact O-N 3.41Å; S1061-A1064 PolarHBondContact O-N 2.68Å; A1064-T1067 WeakPolarHBondContact O-CB 3.36Å; A1064-T1067 PolarHBondContact O-N 3.24Å; A1064-K1068 PolarHBondContact O-N 2.86Å; A1064-L1365 HydrophobicContact CB-CD1 3.67Å; A1064-L1365 HydrophobicContact CB-CD2 3.96Å; A1064-L1365 HydrophobicContact CB-CG 4.5Å
1065	E	71.5	Confident	75.8	Confident	105 Å²	105	28.1 Å²	28.1	49%	0.491	15%	0.152	S	C	.	.	H	α-helix	trans	-67.7	-44.4	178.6	-170	161.8	-129.7	0	0	112.3	S1061 C1062 T1067 K1068 K1069	S1061-E1065 WeakPolarHBondContact O-CB 3.35Å; S1061-E1065 PolarHBondContact O-N 3.24Å; C1062-E1065 PolarHBondContact O-N 2.97Å; E1065-T1067 VanDerWaalsContact C-N 3.3Å; E1065-T1067 PolarHBondContact O-N 3.39Å; E1065-K1068 WeakPolarHBondContact O-CB 3.36Å; E1065-K1068 PolarHBondContact O-N 2.83Å; E1065-K1068 VanDerWaalsContact O-N 3.16Å; E1065-K1069 PolarHBondContact O-N 2.84Å; E1065-K1069 VanDerWaalsContact O-N 3.17Å
1066	Q	81.4	Confident	76.4	Confident	24 Å²	24	27 Å²	27	11%	0.112	14%	0.14	C	C	.	.	H	α-helix	trans	-66	-31.8	171.2	-71.6	-66.2	-14	0	0	112.6	L1024 K1027 C1062 K1068 K1069 M1070	L1024-Q1066 HydrophobicContact CD1-CB 3.97Å; K1027-Q1066 HydrophobicContact CG-CG 4.44Å; C1062-Q1066 WeakPolarHBondContact O-CB 3.28Å; C1062-Q1066 WeakPolarHBondContact O-CG 3.37Å; C1062-Q1066 PolarHBondContact O-N 3.36Å; Q1066-K1068 VanDerWaalsContact C-N 3.32Å; Q1066-K1068 PolarHBondContact O-N 3.03Å; Q1066-K1069 PolarHBondContact O-N 3.11Å; Q1066-M1070 WeakPolarHBondContact O-CB 3.4Å; Q1066-M1070 PolarHBondContact O-N 2.71Å
1067	T	84.3	Confident	76.1	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-36.7	172.1	-57.2	0	0	0	0	111.5	L1063 A1064 E1065 M1070 V1071 I1092 V1096	L1063-T1067 WeakPolarHBondContact O-CB 3.35Å; L1063-T1067 PolarHBondContact O-N 2.87Å; L1063-T1067 PolarHBondContact O-OG1 3.44Å; A1064-T1067 WeakPolarHBondContact O-CB 3.36Å; A1064-T1067 PolarHBondContact O-N 3.24Å; E1065-T1067 VanDerWaalsContact C-N 3.3Å; E1065-T1067 PolarHBondContact O-N 3.39Å; T1067-M1070 PolarHBondContact O-N 3.19Å; T1067-V1071 HydrophobicContact CG2-CG2 4.25Å; T1067-V1071 WeakPolarHBondContact O-CB 3.4Å; T1067-V1071 WeakPolarHBondContact O-CG2 3.45Å; T1067-V1071 PolarHBondContact O-N 3.2Å; T1067-I1092 HydrophobicContact CG2-CG2 4.18Å; T1067-V1096 HydrophobicContact CG2-CB 4.31Å; T1067-V1096 HydrophobicContact CG2-CG1 4.26Å; T1067-V1096 HydrophobicContact CG2-CG2 4.09Å; T1067-V1096 WeakPolarHBondContact OG1-CG2 3.33Å
1068	K	77.4	Confident	76.3	Confident	83 Å²	83	29.2 Å²	29.2	36%	0.361	16%	0.156	S	C	.	.	H	α-helix	trans	-63.4	-46.4	172.5	-69.5	176.7	-177.9	178.9	0	111.6	A1064 E1065 Q1066 M1070 V1071 S1072 Y1164	A1064-K1068 PolarHBondContact O-N 2.86Å; E1065-K1068 WeakPolarHBondContact O-CB 3.36Å; E1065-K1068 PolarHBondContact O-N 2.83Å; E1065-K1068 VanDerWaalsContact O-N 3.16Å; Q1066-K1068 VanDerWaalsContact C-N 3.32Å; Q1066-K1068 PolarHBondContact O-N 3.03Å; K1068-M1070 VanDerWaalsContact C-N 3.35Å; K1068-M1070 PolarHBondContact O-N 3.34Å; K1068-V1071 PolarHBondContact O-N 2.73Å; K1068-S1072 WeakPolarHBondContact O-CB 3.48Å; K1068-S1072 PolarHBondContact O-N 3.32Å; K1068-Y1164 HydrophobicContact CD-CE1 4.48Å; K1068-Y1164 HydrophobicContact CG-CE1 4.42Å
1069	K	78.8	Confident	77	Confident	47 Å²	47	27.7 Å²	27.7	20%	0.204	15%	0.145	C	C	.	.	H	α-helix	trans	-56.5	-47.5	174.1	-71.5	-171.6	-179.9	-177.7	0	111.5	E1011 I1020 E1065 Q1066 W1073	E1011-K1069 VanDerWaalsContact CD-NZ 3.28Å; E1011-K1069 IonicContact OE1-NZ 3.82Å; E1011-K1069 PolarHBondContact OE1-NZ 3.03Å; E1011-K1069 VanDerWaalsContact OE1-NZ 3.15Å; E1011-K1069 IonicContact OE2-NZ 3.8Å; E1011-K1069 PolarHBondContact OE2-NZ 2.92Å; I1020-K1069 HydrophobicContact CG2-CB 4.17Å; E1065-K1069 PolarHBondContact O-N 2.84Å; E1065-K1069 VanDerWaalsContact O-N 3.17Å; Q1066-K1069 PolarHBondContact O-N 3.11Å; K1069-W1073 PolarHBondContact O-N 2.72Å
1070	M	84.8	Confident	77	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-47.4	-179.9	-168.8	68.9	172.4	0	0	113	L1017 I1020 A1021 L1024 Q1066 T1067 K1068 W1073 L1074 I1092 I1127	L1017-M1070 HydrophobicContact CD1-CE 4.11Å; L1017-M1070 HydrophobicContact CD1-SD 3.85Å; I1020-M1070 HydrophobicContact CB-SD 4.32Å; I1020-M1070 HydrophobicContact CG2-CB 3.87Å; I1020-M1070 HydrophobicContact CG2-CG 4.43Å; I1020-M1070 HydrophobicContact CG2-SD 3.73Å; A1021-M1070 HydrophobicContact CB-CE 4.28Å; L1024-M1070 HydrophobicContact CD2-CB 4.25Å; L1024-M1070 HydrophobicContact CD2-CG 4.06Å; Q1066-M1070 WeakPolarHBondContact O-CB 3.4Å; Q1066-M1070 PolarHBondContact O-N 2.71Å; T1067-M1070 PolarHBondContact O-N 3.19Å; K1068-M1070 VanDerWaalsContact C-N 3.35Å; K1068-M1070 PolarHBondContact O-N 3.34Å; M1070-W1073 PolarHBondContact O-N 2.83Å; M1070-L1074 HydrophobicContact CE-CD1 4.38Å; M1070-L1074 HydrophobicContact CG-CD1 4.13Å; M1070-L1074 WeakPolarHBondContact O-CG 3.38Å; M1070-L1074 PolarHBondContact O-N 3.14Å; M1070-L1074 VanDerWaalsContact O-N 3.14Å; M1070-I1092 HydrophobicContact CE-CD1 3.82Å; M1070-I1092 HydrophobicContact CG-CD1 4.05Å; M1070-I1127 HydrophobicContact CE-CD1 3.56Å
1071	V	82.4	Confident	76.8	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-71.5	-37.7	-179.5	174.9	0	0	0	0	111.4	T1067 K1068 W1073 L1074 D1075 R1089 L1093 L1360	T1067-V1071 HydrophobicContact CG2-CG2 4.25Å; T1067-V1071 WeakPolarHBondContact O-CB 3.4Å; T1067-V1071 WeakPolarHBondContact O-CG2 3.45Å; T1067-V1071 PolarHBondContact O-N 3.2Å; K1068-V1071 PolarHBondContact O-N 2.73Å; V1071-W1073 PolarHBondContact O-N 3.22Å; V1071-L1074 PolarHBondContact O-N 3Å; V1071-D1075 WeakPolarHBondContact CG1-OD2 3.41Å; V1071-D1075 PolarHBondContact O-N 3.07Å; V1071-R1089 HydrophobicContact CG1-CG 4.11Å; V1071-R1089 HydrophobicContact CG2-CG 4.3Å; V1071-L1093 HydrophobicContact CG2-CD1 4.43Å; V1071-L1093 HydrophobicContact CG2-CG 4.21Å; V1071-L1360 HydrophobicContact CB-CD1 3.83Å; V1071-L1360 HydrophobicContact CG1-CD1 3.72Å; V1071-L1360 HydrophobicContact CG2-CD1 4.01Å
1072	S	77.7	Confident	77.2	Confident	16 Å²	16	33.5 Å²	33.5	11%	0.112	19%	0.188	C	C	.	.	H	α-helix	trans	-57	-29.4	172	177.3	0	0	0	0	113.2	K1068 R1076	K1068-S1072 WeakPolarHBondContact O-CB 3.48Å; K1068-S1072 PolarHBondContact O-N 3.32Å; S1072-R1076 VanDerWaalsContact O-CD 3.25Å; S1072-R1076 WeakPolarHBondContact O-CD 3.29Å; S1072-R1076 VanDerWaalsContact O-CG 3.24Å; S1072-R1076 WeakPolarHBondContact O-CG 3.19Å; S1072-R1076 PolarHBondContact O-NE 3.36Å; S1072-R1076 PolarHBondContact OG-NH2 3.3Å
1073	W	81.3	Confident	77.5	Confident	15 Å²	15	38.1 Å²	38.1	6%	0.057	21%	0.212	C	C	.	.	H	α-helix	trans	-78.3	-41.2	170.8	-92.7	66.3	0	0	0	113.2	E1015 N1016 L1017 I1020 K1069 M1070 V1071 R1076 F1079 P1227	E1015-W1073 HydrophobicContact CG-CZ2 4.07Å; E1015-W1073 VanDerWaalsContact O-CZ2 3.26Å; E1015-W1073 WeakPolarHBondContact O-CZ2 3.36Å; E1015-W1073 PolarHBondContact OE1-NE1 3.08Å; N1016-W1073 HydrophobicContact CB-CH2 4.42Å; L1017-W1073 HydrophobicContact CB-CE3 3.87Å; L1017-W1073 HydrophobicContact CB-CZ3 4.09Å; L1017-W1073 HydrophobicContact CD1-CB 4.01Å; L1017-W1073 HydrophobicContact CD1-CE3 4.25Å; I1020-W1073 VanDerWaalsContact CD1-CD1 3.47Å; I1020-W1073 HydrophobicContact CD1-CD2 4.07Å; I1020-W1073 HydrophobicContact CD1-CG 3.85Å; K1069-W1073 PolarHBondContact O-N 2.72Å; M1070-W1073 PolarHBondContact O-N 2.83Å; V1071-W1073 PolarHBondContact O-N 3.22Å; W1073-R1076 PolarHBondContact O-N 3.48Å; W1073-F1079 HydrophobicContact CE3-CD2 4.42Å; W1073-F1079 AromaticContact CE3-CE2 3.67Å; W1073-F1079 HydrophobicContact CE3-CE2 3.67Å; W1073-F1079 HydrophobicContact CE3-CZ 4.29Å; W1073-F1079 AromaticContact CZ3-CE2 3.93Å; W1073-F1079 HydrophobicContact CZ3-CE2 3.93Å; W1073-F1079 HydrophobicContact CZ3-CZ 4.3Å; W1073-P1227 HydrophobicContact CH2-CG 3.65Å; W1073-P1227 HydrophobicContact CZ3-CG 3.74Å
1074	L	82.5	Confident	77.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-75.5	-27	-175.4	-66.8	169.8	0	0	0	114.2	L1017 M1070 V1071 R1076 F1079 S1080 Y1085 I1088 R1089 I1092	L1017-L1074 HydrophobicContact CD1-CD2 4.38Å; M1070-L1074 HydrophobicContact CE-CD1 4.38Å; M1070-L1074 HydrophobicContact CG-CD1 4.13Å; M1070-L1074 WeakPolarHBondContact O-CG 3.38Å; M1070-L1074 PolarHBondContact O-N 3.14Å; M1070-L1074 VanDerWaalsContact O-N 3.14Å; V1071-L1074 PolarHBondContact O-N 3Å; L1074-R1076 PolarHBondContact O-N 3.43Å; L1074-F1079 HydrophobicContact CD2-CB 4.43Å; L1074-S1080 PolarHBondContact O-N 2.91Å; L1074-Y1085 HydrophobicContact CD2-CD1 3.64Å; L1074-Y1085 HydrophobicContact CD2-CG 4.28Å; L1074-I1088 HydrophobicContact CD1-CG2 4.19Å; L1074-R1089 HydrophobicContact CB-CB 4.04Å; L1074-R1089 HydrophobicContact CB-CG 4.19Å; L1074-R1089 HydrophobicContact CD1-CB 3.9Å; L1074-R1089 HydrophobicContact CD1-CG 4.42Å; L1074-I1092 HydrophobicContact CD1-CD1 4.34Å
1075	D	74	Confident	77.9	Confident	78 Å²	78	41.1 Å²	41.1	42%	0.417	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.4	174.2	-77.5	-37.2	0	0	0	113.5	V1071 S1080 R1089	V1071-D1075 WeakPolarHBondContact CG1-OD2 3.41Å; V1071-D1075 PolarHBondContact O-N 3.07Å; D1075-S1080 WeakPolarHBondContact O-CB 3.4Å; D1075-R1089 WeakPolarHBondContact OD1-CD 3.29Å; D1075-R1089 IonicContact OD1-CZ 2.65Å; D1075-R1089 IonicContact OD1-NE 2.65Å; D1075-R1089 IonicContact OD1-NH1 3.94Å; D1075-R1089 PolarHBondContact OD1-NH1 2.97Å
1076	R	74	Confident	78.4	Confident	31 Å²	31	38.7 Å²	38.7	12%	0.117	22%	0.218	C	C	.	.	S	Bend	trans	-103.2	141.5	177.5	-63.8	179.9	-155.4	-156.9	5.9	111.9	S1072 W1073 L1074 F1079 S1080 E1190	S1072-R1076 VanDerWaalsContact O-CD 3.25Å; S1072-R1076 WeakPolarHBondContact O-CD 3.29Å; S1072-R1076 VanDerWaalsContact O-CG 3.24Å; S1072-R1076 WeakPolarHBondContact O-CG 3.19Å; S1072-R1076 PolarHBondContact O-NE 3.36Å; S1072-R1076 PolarHBondContact OG-NH2 3.3Å; W1073-R1076 PolarHBondContact O-N 3.48Å; L1074-R1076 PolarHBondContact O-N 3.43Å; R1076-F1079 PolarHBondContact O-N 3.3Å; R1076-F1079 VanDerWaalsContact O-N 3.09Å; R1076-S1080 PolarHBondContact O-N 3.15Å; R1076-E1190 IonicContact CZ-OE1 2.99Å; R1076-E1190 IonicContact CZ-OE2 2.66Å; R1076-E1190 IonicContact NH1-OE1 2.74Å; R1076-E1190 PolarHBondContact NH1-OE1 3.22Å; R1076-E1190 IonicContact NH1-OE2 3.28Å; R1076-E1190 PolarHBondContact NH1-OE2 2.85Å; R1076-E1190 VanDerWaalsContact NH2-CD 3.29Å; R1076-E1190 IonicContact NH2-OE1 2.7Å; R1076-E1190 PolarHBondContact NH2-OE1 3.15Å; R1076-E1190 IonicContact NH2-OE2 2.96Å; R1076-E1190 PolarHBondContact NH2-OE2 3.38Å
1077	S	66.4	Low	78.5	Confident	45 Å²	45	44 Å²	44	32%	0.315	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	140.3	169.3	176.7	0	0	0	0	109.9	S1080 R1226	S1077-S1080 WeakPolarHBondContact CA-OG 3.32Å; S1077-S1080 PolarHBondContact N-OG 2.59Å; S1077-R1226 PolarHBondContact O-NH1 2.92Å
1078	P	70.4	Confident	78.6	Confident	26 Å²	26	45.9 Å²	45.9	17%	0.169	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	cis	-82	-17.2	8.7	32.7	-36.5	0	0	0	115.4	S1080 A1081 L1135 P1227	P1078-S1080 VanDerWaalsContact C-N 3.28Å; P1078-S1080 PolarHBondContact O-N 2.9Å; P1078-A1081 WeakPolarHBondContact O-CB 3.47Å; P1078-A1081 PolarHBondContact O-N 2.99Å; P1078-L1135 HydrophobicContact CB-CD1 4.29Å; P1078-L1135 HydrophobicContact CG-CD1 3.65Å; P1078-L1135 HydrophobicContact CG-CD2 4.33Å; P1078-P1227 WeakPolarHBondContact CD-O 3.42Å
1079	F	79.4	Confident	79	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.026	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-60.6	-37.9	-176.2	-54.2	-69.2	0	0	0	112.1	L1017 W1073 L1074 R1076 A1081 D1082 Y1085 L1135	L1017-F1079 HydrophobicContact CD2-CD1 4.16Å; L1017-F1079 HydrophobicContact CD2-CE1 3.83Å; L1017-F1079 HydrophobicContact CD2-CZ 4.16Å; W1073-F1079 HydrophobicContact CE3-CD2 4.42Å; W1073-F1079 AromaticContact CE3-CE2 3.67Å; W1073-F1079 HydrophobicContact CE3-CE2 3.67Å; W1073-F1079 HydrophobicContact CE3-CZ 4.29Å; W1073-F1079 AromaticContact CZ3-CE2 3.93Å; W1073-F1079 HydrophobicContact CZ3-CE2 3.93Å; W1073-F1079 HydrophobicContact CZ3-CZ 4.3Å; L1074-F1079 HydrophobicContact CD2-CB 4.43Å; R1076-F1079 PolarHBondContact O-N 3.3Å; R1076-F1079 VanDerWaalsContact O-N 3.09Å; F1079-A1081 PolarHBondContact O-N 3.4Å; F1079-A1081 VanDerWaalsContact O-N 3.08Å; F1079-D1082 PolarHBondContact O-N 3.29Å; F1079-Y1085 HydrophobicContact CB-CG 4.2Å; F1079-Y1085 HydrophobicContact CD1-CD1 4.06Å; F1079-Y1085 HydrophobicContact CD1-CD2 4.05Å; F1079-Y1085 AromaticContact CD1-CE1 3.92Å; F1079-Y1085 HydrophobicContact CD1-CE1 3.92Å; F1079-Y1085 AromaticContact CD1-CE2 3.9Å; F1079-Y1085 HydrophobicContact CD1-CE2 3.9Å; F1079-Y1085 HydrophobicContact CD1-CG 4.12Å; F1079-Y1085 AromaticContact CD1-CZ 3.83Å; F1079-Y1085 HydrophobicContact CE1-CE1 4.37Å; F1079-Y1085 HydrophobicContact CE1-CE2 4.49Å; F1079-Y1085 WeakPolarHBondContact O-CB 3.46Å; F1079-L1135 HydrophobicContact CE1-CB 4.16Å; F1079-L1135 HydrophobicContact CZ-CB 4.14Å
1080	S	75.9	Confident	79.3	Confident	37 Å²	37	45.6 Å²	45.6	26%	0.259	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-68.5	0.4	175.1	79.8	0	0	0	0	115.3	L1074 D1075 R1076 S1077 P1078 H1086	L1074-S1080 PolarHBondContact O-N 2.91Å; D1075-S1080 WeakPolarHBondContact O-CB 3.4Å; R1076-S1080 PolarHBondContact O-N 3.15Å; S1077-S1080 WeakPolarHBondContact CA-OG 3.32Å; S1077-S1080 PolarHBondContact N-OG 2.59Å; P1078-S1080 VanDerWaalsContact C-N 3.28Å; P1078-S1080 PolarHBondContact O-N 2.9Å; S1080-H1086 PolarHBondContact O-NE2 3.42Å
1081	A	71.9	Confident	79.5	Confident	83 Å²	83	48.6 Å²	48.6	69%	0.686	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-101	-12.8	176.9	0	0	0	0	0	113.3	P1078 F1079	P1078-A1081 WeakPolarHBondContact O-CB 3.47Å; P1078-A1081 PolarHBondContact O-N 2.99Å; F1079-A1081 PolarHBondContact O-N 3.4Å; F1079-A1081 VanDerWaalsContact O-N 3.08Å
1082	D	77.4	Confident	79.8	Confident	71 Å²	71	48.5 Å²	48.5	38%	0.38	27%	0.271	S	S	.	.			trans	-108	129	177.7	174.8	21.3	0	0	0	111.8	F1079 S1084 Y1085 H1086	F1079-D1082 PolarHBondContact O-N 3.29Å; D1082-S1084 PolarHBondContact O-N 3.45Å; D1082-S1084 PolarHBondContact OD1-N 3.05Å; D1082-S1084 VanDerWaalsContact OD2-CB 3.27Å; D1082-S1084 WeakPolarHBondContact OD2-CB 3.44Å; D1082-S1084 PolarHBondContact OD2-OG 2.89Å; D1082-Y1085 HydrophobicContact CB-CD2 4.14Å; D1082-Y1085 PolarHBondContact O-N 3.45Å; D1082-H1086 PolarHBondContact O-N 3.16Å
1083	N	78.9	Confident	80	Confident	120 Å²	120	49 Å²	49	64%	0.642	27%	0.272	S	S	*	.	H	α-helix	trans	-58.7	-25.7	175.2	-76.6	-59.5	0	0	0	113.2	Q1087	N1083-Q1087 WeakPolarHBondContact O-CG 3.13Å; N1083-Q1087 PolarHBondContact O-N 3.29Å
1084	S	81.3	Confident	80.3	Confident	53 Å²	53	53.1 Å²	53.1	37%	0.371	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-45	177	90.5	0	0	0	0	111.6	D1082 Q1087 I1088	D1082-S1084 PolarHBondContact O-N 3.45Å; D1082-S1084 PolarHBondContact OD1-N 3.05Å; D1082-S1084 VanDerWaalsContact OD2-CB 3.27Å; D1082-S1084 WeakPolarHBondContact OD2-CB 3.44Å; D1082-S1084 PolarHBondContact OD2-OG 2.89Å; S1084-Q1087 PolarHBondContact O-N 2.96Å; S1084-I1088 WeakPolarHBondContact O-CG1 3.38Å; S1084-I1088 PolarHBondContact O-N 3.17Å
1085	Y	84.7	Confident	80.6	Confident	20 Å²	20	53.4 Å²	53.4	8%	0.078	29%	0.294	C	S	.	.	H	α-helix	trans	-72.3	-33.5	177.9	-73.6	-73.5	0	0	0	112.5	L1017 L1074 F1079 D1082 I1088 R1089 I1136	L1017-Y1085 HydrophobicContact CD2-CD1 4.47Å; L1017-Y1085 HydrophobicContact CD2-CE1 3.86Å; L1074-Y1085 HydrophobicContact CD2-CD1 3.64Å; L1074-Y1085 HydrophobicContact CD2-CG 4.28Å; F1079-Y1085 HydrophobicContact CB-CG 4.2Å; F1079-Y1085 HydrophobicContact CD1-CD1 4.06Å; F1079-Y1085 HydrophobicContact CD1-CD2 4.05Å; F1079-Y1085 AromaticContact CD1-CE1 3.92Å; F1079-Y1085 HydrophobicContact CD1-CE1 3.92Å; F1079-Y1085 AromaticContact CD1-CE2 3.9Å; F1079-Y1085 HydrophobicContact CD1-CE2 3.9Å; F1079-Y1085 HydrophobicContact CD1-CG 4.12Å; F1079-Y1085 AromaticContact CD1-CZ 3.83Å; F1079-Y1085 HydrophobicContact CE1-CE1 4.37Å; F1079-Y1085 HydrophobicContact CE1-CE2 4.49Å; F1079-Y1085 WeakPolarHBondContact O-CB 3.46Å; D1082-Y1085 HydrophobicContact CB-CD2 4.14Å; D1082-Y1085 PolarHBondContact O-N 3.45Å; Y1085-I1088 HydrophobicContact CD1-CD1 4.17Å; Y1085-I1088 PolarHBondContact O-N 3.41Å; Y1085-R1089 WeakPolarHBondContact O-CB 3.49Å; Y1085-R1089 PolarHBondContact O-N 3.45Å; Y1085-I1136 WeakPolarHBondContact OH-CG2 3.37Å
1086	H	81.2	Confident	81.1	Confident	55 Å²	55	49.9 Å²	49.9	26%	0.255	28%	0.275	S	S	.	.	H	α-helix	trans	-59.5	-44.6	167.7	-81.9	-28	0	0	0	112.5	S1080 D1082 I1088 R1089 D1090	S1080-H1086 PolarHBondContact O-NE2 3.42Å; D1082-H1086 PolarHBondContact O-N 3.16Å; H1086-I1088 VanDerWaalsContact C-N 3.32Å; H1086-I1088 PolarHBondContact O-N 3.42Å; H1086-R1089 PolarHBondContact ND1-NH1 3.2Å; H1086-R1089 PolarHBondContact O-N 3.33Å; H1086-D1090 VanDerWaalsContact O-CG 3.31Å; H1086-D1090 PolarHBondContact O-N 2.95Å
1087	Q	83.5	Confident	81.4	Confident	136 Å²	136	50.5 Å²	50.5	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-64.3	-37.2	176.1	-73	177.7	21.7	0	0	112.2	N1083 S1084 T1091	N1083-Q1087 WeakPolarHBondContact O-CG 3.13Å; N1083-Q1087 PolarHBondContact O-N 3.29Å; S1084-Q1087 PolarHBondContact O-N 2.96Å; Q1087-T1091 VanDerWaalsContact O-CB 3.29Å; Q1087-T1091 WeakPolarHBondContact O-CB 3.48Å; Q1087-T1091 PolarHBondContact O-N 3Å; Q1087-T1091 PolarHBondContact O-OG1 2.93Å
1088	I	86.5	Confident	82.1	Confident	40 Å²	40	53.6 Å²	53.6	21%	0.205	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-50.5	173.6	-72.1	167	0	0	0	110.6	L1074 S1084 Y1085 H1086 D1090 T1091 I1092 I1123 I1127	L1074-I1088 HydrophobicContact CD1-CG2 4.19Å; S1084-I1088 WeakPolarHBondContact O-CG1 3.38Å; S1084-I1088 PolarHBondContact O-N 3.17Å; Y1085-I1088 HydrophobicContact CD1-CD1 4.17Å; Y1085-I1088 PolarHBondContact O-N 3.41Å; H1086-I1088 VanDerWaalsContact C-N 3.32Å; H1086-I1088 PolarHBondContact O-N 3.42Å; I1088-D1090 PolarHBondContact O-N 3.42Å; I1088-T1091 PolarHBondContact O-N 3.45Å; I1088-I1092 HydrophobicContact CG2-CD1 3.69Å; I1088-I1092 HydrophobicContact CG2-CG1 4.44Å; I1088-I1092 WeakPolarHBondContact O-CG1 3.29Å; I1088-I1092 PolarHBondContact O-N 2.91Å; I1088-I1123 HydrophobicContact CG2-CG2 4.05Å; I1088-I1127 HydrophobicContact CG2-CD1 4.03Å
1089	R	86.7	Confident	82.7	Confident	46 Å²	46	52.4 Å²	52.4	17%	0.174	28%	0.279	C	S	.	.	H	α-helix	trans	-53.7	-54.2	177.3	-177.1	-159.1	63.7	-162	-5.4	111.4	V1071 L1074 D1075 Y1085 H1086 T1091 I1092 L1093	V1071-R1089 HydrophobicContact CG1-CG 4.11Å; V1071-R1089 HydrophobicContact CG2-CG 4.3Å; L1074-R1089 HydrophobicContact CB-CB 4.04Å; L1074-R1089 HydrophobicContact CB-CG 4.19Å; L1074-R1089 HydrophobicContact CD1-CB 3.9Å; L1074-R1089 HydrophobicContact CD1-CG 4.42Å; D1075-R1089 WeakPolarHBondContact OD1-CD 3.29Å; D1075-R1089 IonicContact OD1-CZ 2.65Å; D1075-R1089 IonicContact OD1-NE 2.65Å; D1075-R1089 IonicContact OD1-NH1 3.94Å; D1075-R1089 PolarHBondContact OD1-NH1 2.97Å; Y1085-R1089 WeakPolarHBondContact O-CB 3.49Å; Y1085-R1089 PolarHBondContact O-N 3.45Å; H1086-R1089 PolarHBondContact ND1-NH1 3.2Å; H1086-R1089 PolarHBondContact O-N 3.33Å; R1089-T1091 VanDerWaalsContact C-N 3.28Å; R1089-T1091 PolarHBondContact O-N 3.17Å; R1089-I1092 PolarHBondContact O-N 3.49Å; R1089-L1093 HydrophobicContact CG-CD1 4.28Å; R1089-L1093 WeakPolarHBondContact O-CB 3.33Å; R1089-L1093 PolarHBondContact O-N 2.92Å
1090	D	85.6	Confident	82.6	Confident	78 Å²	78	52.9 Å²	52.9	42%	0.417	28%	0.282	S	S	.	.	H	α-helix	trans	-65.1	-34.2	-175.9	-67.3	-6.4	0	0	0	111.6	H1086 I1088 H1094	H1086-D1090 VanDerWaalsContact O-CG 3.31Å; H1086-D1090 PolarHBondContact O-N 2.95Å; I1088-D1090 PolarHBondContact O-N 3.42Å; D1090-H1094 WeakPolarHBondContact O-CB 3.48Å; D1090-H1094 PolarHBondContact O-N 2.9Å
1091	T	88.2	Confident	82.5	Confident	62 Å²	62	56 Å²	56	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-71.5	-42.7	175.7	-54.2	0	0	0	0	111.9	Q1087 I1088 R1089 H1094 L1095 I1123	Q1087-T1091 VanDerWaalsContact O-CB 3.29Å; Q1087-T1091 WeakPolarHBondContact O-CB 3.48Å; Q1087-T1091 PolarHBondContact O-N 3Å; Q1087-T1091 PolarHBondContact O-OG1 2.93Å; I1088-T1091 PolarHBondContact O-N 3.45Å; R1089-T1091 VanDerWaalsContact C-N 3.28Å; R1089-T1091 PolarHBondContact O-N 3.17Å; T1091-H1094 PolarHBondContact O-N 3.26Å; T1091-L1095 HydrophobicContact CG2-CD1 4.02Å; T1091-L1095 HydrophobicContact CG2-CG 4.41Å; T1091-L1095 WeakPolarHBondContact O-CB 3.46Å; T1091-L1095 VanDerWaalsContact O-CG 3.23Å; T1091-L1095 WeakPolarHBondContact O-CG 3.46Å; T1091-L1095 PolarHBondContact O-N 2.99Å; T1091-I1123 HydrophobicContact CG2-CD1 3.51Å
1092	I	87.7	Confident	82.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-47.7	174.7	-71.9	170.8	0	0	0	109.9	L1024 T1067 M1070 L1074 I1088 R1089 H1094 L1095 V1096 L1120 I1123	L1024-I1092 HydrophobicContact CD2-CG2 4.23Å; T1067-I1092 HydrophobicContact CG2-CG2 4.18Å; M1070-I1092 HydrophobicContact CE-CD1 3.82Å; M1070-I1092 HydrophobicContact CG-CD1 4.05Å; L1074-I1092 HydrophobicContact CD1-CD1 4.34Å; I1088-I1092 HydrophobicContact CG2-CD1 3.69Å; I1088-I1092 HydrophobicContact CG2-CG1 4.44Å; I1088-I1092 WeakPolarHBondContact O-CG1 3.29Å; I1088-I1092 PolarHBondContact O-N 2.91Å; R1089-I1092 PolarHBondContact O-N 3.49Å; I1092-H1094 PolarHBondContact O-N 3.46Å; I1092-L1095 PolarHBondContact O-N 2.92Å; I1092-V1096 HydrophobicContact CG2-CG2 4.45Å; I1092-V1096 WeakPolarHBondContact O-CG2 3.3Å; I1092-V1096 PolarHBondContact O-N 3.45Å; I1092-L1120 HydrophobicContact CB-CD1 4.39Å; I1092-L1120 HydrophobicContact CG1-CD1 4.07Å; I1092-L1120 HydrophobicContact CG2-CD1 4.11Å; I1092-I1123 HydrophobicContact CD1-CG2 4.11Å; I1092-I1123 HydrophobicContact CG1-CG2 4.08Å
1093	L	83.3	Confident	82.2	Confident	26 Å²	26	50.3 Å²	50.3	14%	0.136	25%	0.25	C	C	.	.	H	α-helix	trans	-55.7	-52.8	175.2	-94.7	165.8	0	0	0	112.2	V1071 R1089 L1095 V1096 V1097 L1360	V1071-L1093 HydrophobicContact CG2-CD1 4.43Å; V1071-L1093 HydrophobicContact CG2-CG 4.21Å; R1089-L1093 HydrophobicContact CG-CD1 4.28Å; R1089-L1093 WeakPolarHBondContact O-CB 3.33Å; R1089-L1093 PolarHBondContact O-N 2.92Å; L1093-L1095 VanDerWaalsContact C-N 3.3Å; L1093-L1095 PolarHBondContact O-N 3.47Å; L1093-V1096 PolarHBondContact O-N 3.43Å; L1093-V1097 WeakPolarHBondContact O-CB 3.48Å; L1093-V1097 VanDerWaalsContact O-CG2 3.28Å; L1093-V1097 WeakPolarHBondContact O-CG2 3.23Å; L1093-V1097 PolarHBondContact O-N 2.68Å; L1093-L1360 HydrophobicContact CD2-CD1 3.91Å; L1093-L1360 HydrophobicContact CD2-CD2 3.91Å; L1093-L1360 HydrophobicContact CD2-CG 3.68Å
1094	H	86.7	Confident	81.4	Confident	102 Å²	102	50.9 Å²	50.9	47%	0.472	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-39.5	179.6	-171.8	-18.3	0	0	0	111.8	D1090 T1091 I1092 R1098	D1090-H1094 WeakPolarHBondContact O-CB 3.48Å; D1090-H1094 PolarHBondContact O-N 2.9Å; T1091-H1094 PolarHBondContact O-N 3.26Å; I1092-H1094 PolarHBondContact O-N 3.46Å; H1094-R1098 WeakPolarHBondContact O-CB 3.38Å; H1094-R1098 PolarHBondContact O-N 2.86Å
1095	L	88.1	Confident	80.4	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-45.7	178.6	-74.1	170.2	0	0	0	112.3	T1091 I1092 L1093 R1098 I1099 N1116 Q1119 L1120 I1123	T1091-L1095 HydrophobicContact CG2-CD1 4.02Å; T1091-L1095 HydrophobicContact CG2-CG 4.41Å; T1091-L1095 WeakPolarHBondContact O-CB 3.46Å; T1091-L1095 VanDerWaalsContact O-CG 3.23Å; T1091-L1095 WeakPolarHBondContact O-CG 3.46Å; T1091-L1095 PolarHBondContact O-N 2.99Å; I1092-L1095 PolarHBondContact O-N 2.92Å; L1093-L1095 VanDerWaalsContact C-N 3.3Å; L1093-L1095 PolarHBondContact O-N 3.47Å; L1095-R1098 WeakPolarHBondContact O-CB 3.48Å; L1095-R1098 PolarHBondContact O-N 3.27Å; L1095-I1099 VanDerWaalsContact O-CG1 3.28Å; L1095-I1099 WeakPolarHBondContact O-CG1 3.11Å; L1095-I1099 PolarHBondContact O-N 3Å; L1095-N1116 HydrophobicContact CD2-CB 4.02Å; L1095-N1116 WeakPolarHBondContact CD2-OD1 3.27Å; L1095-Q1119 HydrophobicContact CD1-CB 3.95Å; L1095-Q1119 HydrophobicContact CD2-CB 3.86Å; L1095-L1120 HydrophobicContact CD1-CB 4.26Å; L1095-L1120 HydrophobicContact CD1-CD1 4.39Å; L1095-I1123 HydrophobicContact CD1-CD1 3.53Å
1096	V	84.9	Confident	78.9	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-42.7	-179.1	174.2	0	0	0	0	111	T1067 I1092 L1093 R1098 I1099 I1100 L1120	T1067-V1096 HydrophobicContact CG2-CB 4.31Å; T1067-V1096 HydrophobicContact CG2-CG1 4.26Å; T1067-V1096 HydrophobicContact CG2-CG2 4.09Å; T1067-V1096 WeakPolarHBondContact OG1-CG2 3.33Å; I1092-V1096 HydrophobicContact CG2-CG2 4.45Å; I1092-V1096 WeakPolarHBondContact O-CG2 3.3Å; I1092-V1096 PolarHBondContact O-N 3.45Å; L1093-V1096 PolarHBondContact O-N 3.43Å; V1096-R1098 VanDerWaalsContact C-N 3.3Å; V1096-R1098 PolarHBondContact O-N 3.03Å; V1096-I1099 PolarHBondContact O-N 2.98Å; V1096-I1100 HydrophobicContact CG1-CD1 4.03Å; V1096-I1100 WeakPolarHBondContact O-CG1 3.16Å; V1096-I1100 PolarHBondContact O-N 2.88Å; V1096-L1120 HydrophobicContact CG2-CD1 4.41Å; V1096-L1120 HydrophobicContact CG2-CD2 3.95Å
1097	V	79.8	Confident	77.6	Confident	44 Å²	44	54 Å²	54	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-58	-42.7	171	171.1	0	0	0	0	110.7	L1093 I1100 Q1101 L1363	L1093-V1097 WeakPolarHBondContact O-CB 3.48Å; L1093-V1097 VanDerWaalsContact O-CG2 3.28Å; L1093-V1097 WeakPolarHBondContact O-CG2 3.23Å; L1093-V1097 PolarHBondContact O-N 2.68Å; V1097-I1100 PolarHBondContact O-N 2.91Å; V1097-Q1101 HydrophobicContact CG1-CG 4.27Å; V1097-Q1101 VanDerWaalsContact O-CB 3.31Å; V1097-Q1101 WeakPolarHBondContact O-CB 3.47Å; V1097-Q1101 VanDerWaalsContact O-CG 3.22Å; V1097-Q1101 WeakPolarHBondContact O-CG 3.2Å; V1097-Q1101 PolarHBondContact O-N 3.24Å; V1097-L1363 HydrophobicContact CG2-CD1 3.94Å
1098	R	82.3	Confident	76	Confident	110 Å²	110	55.1 Å²	55.1	42%	0.415	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-44.9	173.8	-102.5	-173.2	170.8	143.5	-0.8	113	H1094 L1095 V1096 I1100 Q1101 I1102 N1116	H1094-R1098 WeakPolarHBondContact O-CB 3.38Å; H1094-R1098 PolarHBondContact O-N 2.86Å; L1095-R1098 WeakPolarHBondContact O-CB 3.48Å; L1095-R1098 PolarHBondContact O-N 3.27Å; V1096-R1098 VanDerWaalsContact C-N 3.3Å; V1096-R1098 PolarHBondContact O-N 3.03Å; R1098-I1100 VanDerWaalsContact C-N 3.32Å; R1098-I1100 PolarHBondContact O-N 2.98Å; R1098-Q1101 PolarHBondContact O-N 3.42Å; R1098-I1102 HydrophobicContact CB-CD1 4.3Å; R1098-I1102 WeakPolarHBondContact O-CB 3.42Å; R1098-I1102 WeakPolarHBondContact O-CD1 3.39Å; R1098-I1102 WeakPolarHBondContact O-CG1 3.3Å; R1098-I1102 PolarHBondContact O-N 3.05Å; R1098-N1116 WeakPolarHBondContact CD-OD1 3.01Å
1099	I	82.8	Confident	74.7	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-48	179.5	-72.6	161.3	0	0	0	109.7	L1031 L1060 L1063 L1095 V1096 I1103 T1113 N1116 L1120	L1031-I1099 HydrophobicContact CD2-CG2 3.74Å; L1060-I1099 HydrophobicContact CD2-CG2 4.1Å; L1063-I1099 HydrophobicContact CD2-CD1 4.25Å; L1063-I1099 HydrophobicContact CD2-CG2 4.1Å; L1095-I1099 VanDerWaalsContact O-CG1 3.28Å; L1095-I1099 WeakPolarHBondContact O-CG1 3.11Å; L1095-I1099 PolarHBondContact O-N 3Å; V1096-I1099 PolarHBondContact O-N 2.98Å; I1099-I1103 HydrophobicContact CG2-CD1 3.86Å; I1099-I1103 WeakPolarHBondContact O-CB 3.41Å; I1099-I1103 WeakPolarHBondContact O-CD1 3.37Å; I1099-I1103 VanDerWaalsContact O-CG1 3.31Å; I1099-I1103 WeakPolarHBondContact O-CG1 3.36Å; I1099-I1103 PolarHBondContact O-N 2.95Å; I1099-I1103 VanDerWaalsContact O-N 3.1Å; I1099-T1113 HydrophobicContact CG2-CG2 4.33Å; I1099-N1116 HydrophobicContact CD1-CB 4.22Å; I1099-N1116 HydrophobicContact CG1-CB 3.74Å; I1099-L1120 HydrophobicContact CD1-CD2 4.2Å
1100	I	77.4	Confident	73.6	Confident	16 Å²	16	56.8 Å²	56.8	8%	0.082	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-46.1	176.8	-64.5	167.7	0	0	0	111	L1060 V1096 V1097 R1098 R1104 L1363 F1368	L1060-I1100 HydrophobicContact CD2-CG1 4.05Å; V1096-I1100 HydrophobicContact CG1-CD1 4.03Å; V1096-I1100 WeakPolarHBondContact O-CG1 3.16Å; V1096-I1100 PolarHBondContact O-N 2.88Å; V1097-I1100 PolarHBondContact O-N 2.91Å; R1098-I1100 VanDerWaalsContact C-N 3.32Å; R1098-I1100 PolarHBondContact O-N 2.98Å; I1100-R1104 WeakPolarHBondContact O-CB 3.4Å; I1100-R1104 PolarHBondContact O-N 3.47Å; I1100-L1363 HydrophobicContact CD1-CD1 4.47Å; I1100-L1363 HydrophobicContact CD1-CD2 4.02Å; I1100-F1368 HydrophobicContact CG2-CE2 3.92Å
1101	Q	73.8	Confident	72.7	Confident	102 Å²	102	55.7 Å²	55.7	48%	0.477	29%	0.294	S	S	.	.	H	α-helix	trans	-64.9	-41.8	179.2	-76.8	174.3	-8.9	0	0	113.5	V1097 R1098 R1104 S1105	V1097-Q1101 HydrophobicContact CG1-CG 4.27Å; V1097-Q1101 VanDerWaalsContact O-CB 3.31Å; V1097-Q1101 WeakPolarHBondContact O-CB 3.47Å; V1097-Q1101 VanDerWaalsContact O-CG 3.22Å; V1097-Q1101 WeakPolarHBondContact O-CG 3.2Å; V1097-Q1101 PolarHBondContact O-N 3.24Å; R1098-Q1101 PolarHBondContact O-N 3.42Å; Q1101-R1104 PolarHBondContact O-N 3.01Å; Q1101-S1105 VanDerWaalsContact O-CB 3.25Å; Q1101-S1105 WeakPolarHBondContact O-CB 3.32Å; Q1101-S1105 PolarHBondContact O-N 3.37Å; Q1101-S1105 PolarHBondContact O-OG 3.35Å
1102	I	72.7	Confident	71.9	Confident	25 Å²	25	55.8 Å²	55.8	13%	0.128	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-44.2	-179.9	-65.8	160.2	0	0	0	109.8	R1098 R1104 S1105 S1106 N1109 D1112 T1113 N1116	R1098-I1102 HydrophobicContact CB-CD1 4.3Å; R1098-I1102 WeakPolarHBondContact O-CB 3.42Å; R1098-I1102 WeakPolarHBondContact O-CD1 3.39Å; R1098-I1102 WeakPolarHBondContact O-CG1 3.3Å; R1098-I1102 PolarHBondContact O-N 3.05Å; I1102-R1104 VanDerWaalsContact C-N 3.32Å; I1102-R1104 PolarHBondContact O-N 2.89Å; I1102-S1105 PolarHBondContact O-N 2.93Å; I1102-S1105 PolarHBondContact O-OG 3.4Å; I1102-S1106 PolarHBondContact O-N 3.28Å; I1102-N1109 HydrophobicContact CG2-CB 4.13Å; I1102-D1112 HydrophobicContact CD1-CB 4.01Å; I1102-T1113 VanDerWaalsContact CG2-OG1 3.24Å; I1102-T1113 WeakPolarHBondContact CG2-OG1 3.3Å; I1102-N1116 WeakPolarHBondContact CD1-ND2 3.35Å
1103	I	70.3	Confident	71.2	Confident	10 Å²	10	56 Å²	56	5%	0.051	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-36.1	176.5	-66.7	166.9	0	0	0	111.3	L1031 L1052 L1060 I1099 T1113	L1031-I1103 HydrophobicContact CD2-CD1 4.46Å; L1052-I1103 HydrophobicContact CD1-CG2 3.45Å; L1052-I1103 VanDerWaalsContact CD1-CG2 3.45Å; L1052-I1103 HydrophobicContact CD2-CG2 3.8Å; L1052-I1103 HydrophobicContact CG-CG2 4.29Å; L1060-I1103 HydrophobicContact CD1-CD1 4.06Å; L1060-I1103 HydrophobicContact CD1-CG2 4Å; L1060-I1103 HydrophobicContact CD2-CD1 3.99Å; L1060-I1103 HydrophobicContact CG-CD1 4.25Å; I1099-I1103 HydrophobicContact CG2-CD1 3.86Å; I1099-I1103 WeakPolarHBondContact O-CB 3.41Å; I1099-I1103 WeakPolarHBondContact O-CD1 3.37Å; I1099-I1103 VanDerWaalsContact O-CG1 3.31Å; I1099-I1103 WeakPolarHBondContact O-CG1 3.36Å; I1099-I1103 PolarHBondContact O-N 2.95Å; I1099-I1103 VanDerWaalsContact O-N 3.1Å; I1103-T1113 HydrophobicContact CD1-CG2 3.74Å; I1103-T1113 HydrophobicContact CG1-CG2 3.78Å
1104	R	62.4	Low	70.9	Confident	133 Å²	133	56 Å²	56	50%	0.502	30%	0.295	S	S	.	.	H	α-helix	trans	-70.4	-33.3	172.7	-106.8	-179	166.5	160.9	-3.5	114.4	I1100 Q1101 I1102 F1368	I1100-R1104 WeakPolarHBondContact O-CB 3.4Å; I1100-R1104 PolarHBondContact O-N 3.47Å; Q1101-R1104 PolarHBondContact O-N 3.01Å; I1102-R1104 VanDerWaalsContact C-N 3.32Å; I1102-R1104 PolarHBondContact O-N 2.89Å; R1104-F1368 HydrophobicContact CG-CE2 4.16Å; R1104-F1368 HydrophobicContact CG-CZ 4.12Å
1105	S	60.8	Low	70.7	Confident	89 Å²	89	58.8 Å²	58.8	62%	0.622	30%	0.301	S	S	*	.	H	α-helix	trans	-93.9	-32.9	-168.8	54.5	0	0	0	0	114.4	Q1101 I1102	Q1101-S1105 VanDerWaalsContact O-CB 3.25Å; Q1101-S1105 WeakPolarHBondContact O-CB 3.32Å; Q1101-S1105 PolarHBondContact O-N 3.37Å; Q1101-S1105 PolarHBondContact O-OG 3.35Å; I1102-S1105 PolarHBondContact O-N 2.93Å; I1102-S1105 PolarHBondContact O-OG 3.4Å
1106	S	53	Low	70.6	Confident	55 Å²	55	58.9 Å²	58.9	39%	0.385	30%	0.302	S	S	.	.			trans	-172.4	122.6	166.4	-93.1	0	0	0	0	113.3	I1102 R1108 N1109	I1102-S1106 PolarHBondContact O-N 3.28Å; S1106-R1108 PolarHBondContact O-N 2.73Å; S1106-N1109 PolarHBondContact O-N 3.31Å
1107	C	52.5	Low	70.6	Confident	50 Å²	50	58.7 Å²	58.7	34%	0.338	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-58	-3.2	165.8	-64.2	0	0	0	0	114.6	N1109 V1110	C1107-N1109 VanDerWaalsContact C-N 3.35Å; C1107-V1110 WeakPolarHBondContact O-CG2 3.44Å
1108	R	51.3	Low	70.9	Confident	159 Å²	159	59.9 Å²	59.9	60%	0.6	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-70.6	-26.6	175.6	-56.4	-179.2	-169	-97.5	-7.4	112.6	E1048 S1106	E1048-R1108 IonicContact OE1-CZ 2.68Å; E1048-R1108 VanDerWaalsContact OE1-CZ 3.31Å; E1048-R1108 IonicContact OE1-NH1 3.43Å; E1048-R1108 PolarHBondContact OE1-NH1 2.75Å; E1048-R1108 IonicContact OE1-NH2 2.57Å; E1048-R1108 PolarHBondContact OE1-NH2 2.85Å; E1048-R1108 VanDerWaalsContact OE1-NH2 3.13Å; E1048-R1108 IonicContact OE2-CZ 3.87Å; E1048-R1108 IonicContact OE2-NH1 3.13Å; E1048-R1108 IonicContact OE2-NH2 3.31Å; E1048-R1108 PolarHBondContact OE2-NH2 3.46Å; S1106-R1108 PolarHBondContact O-N 2.73Å
1109	N	59.2	Low	71.2	Confident	80 Å²	80	58.8 Å²	58.8	43%	0.428	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-102.4	44.3	-173.8	-78.1	36.1	0	0	0	113.9	I1102 S1106 C1107 G1111 D1112 T1113	I1102-N1109 HydrophobicContact CG2-CB 4.13Å; S1106-N1109 PolarHBondContact O-N 3.31Å; C1107-N1109 VanDerWaalsContact C-N 3.35Å; N1109-G1111 PolarHBondContact O-N 3.28Å; N1109-D1112 HydrophobicContact CB-CB 4.31Å; N1109-D1112 PolarHBondContact ND2-OD2 2.8Å; N1109-D1112 PolarHBondContact O-N 3.14Å; N1109-T1113 PolarHBondContact O-N 2.99Å; N1109-T1113 VanDerWaalsContact O-N 3.12Å; N1109-T1113 PolarHBondContact O-OG1 2.84Å
1110	V	64	Low	71.6	Confident	40 Å²	40	58.8 Å²	58.8	24%	0.242	31%	0.308	C	S	.	.	H	α-helix	trans	-52.6	-30.8	173.5	-172	0	0	0	0	112.3	L1035 V1039 C1107 T1113 S1114	L1035-V1110 HydrophobicContact CB-CG1 4.09Å; L1035-V1110 HydrophobicContact CD2-CG1 4.44Å; V1039-V1110 HydrophobicContact CG2-CB 4.35Å; V1039-V1110 HydrophobicContact CG2-CG1 4.04Å; V1039-V1110 HydrophobicContact CG2-CG2 4.16Å; C1107-V1110 WeakPolarHBondContact O-CG2 3.44Å; V1110-T1113 PolarHBondContact O-N 3.3Å; V1110-S1114 VanDerWaalsContact O-CB 3.28Å; V1110-S1114 WeakPolarHBondContact O-CB 3.45Å; V1110-S1114 PolarHBondContact O-N 3.1Å
1111	G	65.8	Low	72.1	Confident	56 Å²	56	58.4 Å²	58.4	58%	0.577	31%	0.307	S	S	*	.	H	α-helix	trans	-61.5	-42	173.6	0	0	0	0	0	113.8	N1109 R1115	N1109-G1111 PolarHBondContact O-N 3.28Å; G1111-R1115 VanDerWaalsContact O-CB 3.3Å; G1111-R1115 WeakPolarHBondContact O-CB 3.49Å; G1111-R1115 PolarHBondContact O-N 2.82Å
1112	D	71.1	Confident	72.8	Confident	63 Å²	63	55.8 Å²	55.8	34%	0.337	30%	0.302	S	S	.	.	H	α-helix	trans	-74	-39.7	176.6	-67.8	-42.4	0	0	0	111.1	I1102 N1109 S1114 R1115 N1116	I1102-D1112 HydrophobicContact CD1-CB 4.01Å; N1109-D1112 HydrophobicContact CB-CB 4.31Å; N1109-D1112 PolarHBondContact ND2-OD2 2.8Å; N1109-D1112 PolarHBondContact O-N 3.14Å; D1112-S1114 PolarHBondContact O-N 2.8Å; D1112-R1115 WeakPolarHBondContact O-CB 3.5Å; D1112-R1115 PolarHBondContact O-N 3.24Å; D1112-N1116 PolarHBondContact O-N 2.86Å; D1112-N1116 PolarHBondContact O-ND2 3.1Å
1113	T	73.6	Confident	73.6	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-48.3	174.7	-43.8	0	0	0	0	110.7	L1035 I1099 I1102 I1103 N1109 V1110 R1115 N1116 C1117	L1035-T1113 HydrophobicContact CD1-CG2 3.49Å; L1035-T1113 VanDerWaalsContact CD1-CG2 3.49Å; I1099-T1113 HydrophobicContact CG2-CG2 4.33Å; I1102-T1113 VanDerWaalsContact CG2-OG1 3.24Å; I1102-T1113 WeakPolarHBondContact CG2-OG1 3.3Å; I1103-T1113 HydrophobicContact CD1-CG2 3.74Å; I1103-T1113 HydrophobicContact CG1-CG2 3.78Å; N1109-T1113 PolarHBondContact O-N 2.99Å; N1109-T1113 VanDerWaalsContact O-N 3.12Å; N1109-T1113 PolarHBondContact O-OG1 2.84Å; V1110-T1113 PolarHBondContact O-N 3.3Å; T1113-R1115 VanDerWaalsContact C-N 3.32Å; T1113-R1115 PolarHBondContact O-N 2.81Å; T1113-N1116 PolarHBondContact O-N 3.39Å; T1113-C1117 PolarHBondContact O-N 3.4Å; T1113-C1117 PolarHBondContact O-SG 2.84Å
1114	S	77.3	Confident	74.4	Confident	25 Å²	25	54.8 Å²	54.8	18%	0.175	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-39	175.3	-175.3	0	0	0	0	111.7	V1110 D1112 C1117 T1118	V1110-S1114 VanDerWaalsContact O-CB 3.28Å; V1110-S1114 WeakPolarHBondContact O-CB 3.45Å; V1110-S1114 PolarHBondContact O-N 3.1Å; D1112-S1114 PolarHBondContact O-N 2.8Å; S1114-C1117 PolarHBondContact O-N 3.19Å; S1114-T1118 WeakPolarHBondContact O-CB 3.33Å; S1114-T1118 PolarHBondContact O-N 3.02Å; S1114-T1118 PolarHBondContact O-OG1 3.14Å
1115	R	82.3	Confident	75.6	Confident	162 Å²	162	50 Å²	50	61%	0.611	28%	0.282	S	S	*	.	H	α-helix	trans	-63.3	-44.6	176.5	-175.8	179.6	-177.4	174.5	3.1	112.4	G1111 D1112 T1113 T1118 Q1119	G1111-R1115 VanDerWaalsContact O-CB 3.3Å; G1111-R1115 WeakPolarHBondContact O-CB 3.49Å; G1111-R1115 PolarHBondContact O-N 2.82Å; D1112-R1115 WeakPolarHBondContact O-CB 3.5Å; D1112-R1115 PolarHBondContact O-N 3.24Å; T1113-R1115 VanDerWaalsContact C-N 3.32Å; T1113-R1115 PolarHBondContact O-N 2.81Å; R1115-T1118 PolarHBondContact O-N 2.89Å; R1115-Q1119 WeakPolarHBondContact O-CG 3.4Å; R1115-Q1119 PolarHBondContact O-N 3.25Å
1116	N	85.7	Confident	76.8	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.043	28%	0.275	C	S	.	.	H	α-helix	trans	-67.2	-39.4	177	-71.2	-84.1	0	0	0	111.2	L1095 R1098 I1099 I1102 D1112 T1113 Q1119 L1120	L1095-N1116 HydrophobicContact CD2-CB 4.02Å; L1095-N1116 WeakPolarHBondContact CD2-OD1 3.27Å; R1098-N1116 WeakPolarHBondContact CD-OD1 3.01Å; I1099-N1116 HydrophobicContact CD1-CB 4.22Å; I1099-N1116 HydrophobicContact CG1-CB 3.74Å; I1102-N1116 WeakPolarHBondContact CD1-ND2 3.35Å; D1112-N1116 PolarHBondContact O-N 2.86Å; D1112-N1116 PolarHBondContact O-ND2 3.1Å; T1113-N1116 PolarHBondContact O-N 3.39Å; N1116-Q1119 PolarHBondContact O-N 3.37Å; N1116-L1120 PolarHBondContact O-N 2.94Å
1117	C	85	Confident	78.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-41.9	173.2	-62.5	0	0	0	0	111.9	S1028 M1032 T1113 S1114 Q1119 L1120 C1121	S1028-C1117 WeakPolarHBondContact OG-CA 3.12Å; S1028-C1117 WeakPolarHBondContact OG-CB 3.33Å; S1028-C1117 PolarHBondContact OG-O 2.97Å; M1032-C1117 HydrophobicContact CE-CB 3.93Å; M1032-C1117 HydrophobicContact CG-CB 3.84Å; M1032-C1117 HydrophobicContact SD-CB 4.26Å; T1113-C1117 PolarHBondContact O-N 3.4Å; T1113-C1117 PolarHBondContact O-SG 2.84Å; S1114-C1117 PolarHBondContact O-N 3.19Å; C1117-Q1119 VanDerWaalsContact C-N 3.34Å; C1117-Q1119 PolarHBondContact O-N 3.33Å; C1117-L1120 PolarHBondContact O-N 2.98Å; C1117-C1121 PolarHBondContact O-N 3.3Å; C1117-C1121 PolarHBondContact O-SG 3.19Å
1118	T	85.7	Confident	79.5	Confident	70 Å²	70	49.3 Å²	49.3	43%	0.429	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-40	173.9	-57.8	0	0	0	0	111.9	S1114 R1115 A1122	S1114-T1118 WeakPolarHBondContact O-CB 3.33Å; S1114-T1118 PolarHBondContact O-N 3.02Å; S1114-T1118 PolarHBondContact O-OG1 3.14Å; R1115-T1118 PolarHBondContact O-N 2.89Å; T1118-A1122 VanDerWaalsContact O-CB 3.3Å; T1118-A1122 WeakPolarHBondContact O-CB 3.31Å; T1118-A1122 PolarHBondContact O-N 2.8Å
1119	Q	89.3	Confident	80.8	Confident	86 Å²	86	49.2 Å²	49.2	40%	0.402	26%	0.262	S	S	.	.	H	α-helix	trans	-66.6	-36.7	174.3	-72.4	-173.8	-96.9	0	0	112.4	L1095 R1115 N1116 C1117 A1122 I1123	L1095-Q1119 HydrophobicContact CD1-CB 3.95Å; L1095-Q1119 HydrophobicContact CD2-CB 3.86Å; R1115-Q1119 WeakPolarHBondContact O-CG 3.4Å; R1115-Q1119 PolarHBondContact O-N 3.25Å; N1116-Q1119 PolarHBondContact O-N 3.37Å; C1117-Q1119 VanDerWaalsContact C-N 3.34Å; C1117-Q1119 PolarHBondContact O-N 3.33Å; Q1119-A1122 PolarHBondContact O-N 3.33Å; Q1119-I1123 WeakPolarHBondContact O-CD1 3.44Å; Q1119-I1123 WeakPolarHBondContact O-CG1 3.4Å; Q1119-I1123 PolarHBondContact O-N 3.44Å; Q1119-I1123 VanDerWaalsContact O-N 3.13Å
1120	L	90.2	Very high	81.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.6	-45.9	176.8	-172.9	61.9	0	0	0	111.3	L1024 L1063 I1092 L1095 V1096 I1099 N1116 C1117 I1123 C1124	L1024-L1120 HydrophobicContact CD2-CD1 4.29Å; L1063-L1120 HydrophobicContact CD1-CD2 4.03Å; I1092-L1120 HydrophobicContact CB-CD1 4.39Å; I1092-L1120 HydrophobicContact CG1-CD1 4.07Å; I1092-L1120 HydrophobicContact CG2-CD1 4.11Å; L1095-L1120 HydrophobicContact CD1-CB 4.26Å; L1095-L1120 HydrophobicContact CD1-CD1 4.39Å; V1096-L1120 HydrophobicContact CG2-CD1 4.41Å; V1096-L1120 HydrophobicContact CG2-CD2 3.95Å; I1099-L1120 HydrophobicContact CD1-CD2 4.2Å; N1116-L1120 PolarHBondContact O-N 2.94Å; C1117-L1120 PolarHBondContact O-N 2.98Å; L1120-I1123 PolarHBondContact O-N 2.85Å; L1120-C1124 PolarHBondContact O-N 2.89Å; L1120-C1124 VanDerWaalsContact O-N 3.09Å; L1120-C1124 PolarHBondContact O-SG 2.79Å
1121	C	88.7	Confident	81.7	Confident	9 Å²	9	51.8 Å²	51.8	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-55.2	-52.4	170.8	-62.3	0	0	0	0	110.5	C1117 I1123 C1124 D1125	C1117-C1121 PolarHBondContact O-N 3.3Å; C1117-C1121 PolarHBondContact O-SG 3.19Å; C1121-I1123 PolarHBondContact O-N 3.36Å; C1121-C1124 PolarHBondContact O-N 2.88Å; C1121-D1125 WeakPolarHBondContact O-CB 3.36Å; C1121-D1125 PolarHBondContact O-N 3.38Å
1122	A	87.3	Confident	81.8	Confident	47 Å²	47	60.6 Å²	60.6	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-68.3	-1.3	-179.6	0	0	0	0	0	115.2	T1118 Q1119 R1126	T1118-A1122 VanDerWaalsContact O-CB 3.3Å; T1118-A1122 WeakPolarHBondContact O-CB 3.31Å; T1118-A1122 PolarHBondContact O-N 2.8Å; Q1119-A1122 PolarHBondContact O-N 3.33Å; A1122-R1126 PolarHBondContact O-NE 3.11Å; A1122-R1126 PolarHBondContact O-NH2 2.92Å
1123	I	89.6	Confident	81.7	Confident	14 Å²	14	59.4 Å²	59.4	7%	0.072	28%	0.283	C	S	.	.	H	α-helix	trans	-94.8	-49.4	165	-69.6	161.1	0	0	0	109.3	I1088 T1091 I1092 L1095 Q1119 L1120 C1121 D1125 R1126 I1127	I1088-I1123 HydrophobicContact CG2-CG2 4.05Å; T1091-I1123 HydrophobicContact CG2-CD1 3.51Å; I1092-I1123 HydrophobicContact CD1-CG2 4.11Å; I1092-I1123 HydrophobicContact CG1-CG2 4.08Å; L1095-I1123 HydrophobicContact CD1-CD1 3.53Å; Q1119-I1123 WeakPolarHBondContact O-CD1 3.44Å; Q1119-I1123 WeakPolarHBondContact O-CG1 3.4Å; Q1119-I1123 PolarHBondContact O-N 3.44Å; Q1119-I1123 VanDerWaalsContact O-N 3.13Å; L1120-I1123 PolarHBondContact O-N 2.85Å; C1121-I1123 PolarHBondContact O-N 3.36Å; I1123-D1125 PolarHBondContact O-N 3.2Å; I1123-R1126 PolarHBondContact O-N 3.43Å; I1123-I1127 HydrophobicContact CG2-CD1 4.36Å; I1123-I1127 WeakPolarHBondContact O-CG1 3.3Å; I1123-I1127 PolarHBondContact O-N 2.83Å; I1123-I1127 VanDerWaalsContact O-N 3.16Å
1124	C	88.9	Confident	81.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-47.3	178.7	-59.2	0	0	0	0	112	A1021 L1120 C1121 R1126 I1127 V1128	A1021-C1124 HydrophobicContact CB-CB 4.27Å; A1021-C1124 WeakPolarHBondContact O-CB 3.38Å; L1120-C1124 PolarHBondContact O-N 2.89Å; L1120-C1124 VanDerWaalsContact O-N 3.09Å; L1120-C1124 PolarHBondContact O-SG 2.79Å; C1121-C1124 PolarHBondContact O-N 2.88Å; C1124-R1126 VanDerWaalsContact C-N 3.29Å; C1124-R1126 PolarHBondContact O-N 3.25Å; C1124-I1127 WeakPolarHBondContact O-CB 3.48Å; C1124-I1127 PolarHBondContact O-N 3.25Å; C1124-V1128 WeakPolarHBondContact O-CG2 3.43Å; C1124-V1128 PolarHBondContact O-N 3.07Å; C1124-V1128 VanDerWaalsContact O-N 3.11Å
1125	D	86.1	Confident	81.3	Confident	32 Å²	32	63 Å²	63	17%	0.171	31%	0.305	C	S	.	.	H	α-helix	trans	-64.3	-34.4	-177.9	-58.5	-21.7	0	0	0	110.9	S1025 R1029 C1121 I1123 V1128 E1129	S1025-D1125 WeakPolarHBondContact CB-OD1 3.4Å; S1025-D1125 PolarHBondContact OG-OD1 3.33Å; R1029-D1125 IonicContact CZ-OD1 3.15Å; R1029-D1125 IonicContact CZ-OD2 2.95Å; R1029-D1125 IonicContact NH2-OD1 2.59Å; R1029-D1125 PolarHBondContact NH2-OD1 2.93Å; R1029-D1125 IonicContact NH2-OD2 3.4Å; R1029-D1125 PolarHBondContact NH2-OD2 3.4Å; C1121-D1125 WeakPolarHBondContact O-CB 3.36Å; C1121-D1125 PolarHBondContact O-N 3.38Å; I1123-D1125 PolarHBondContact O-N 3.2Å; D1125-V1128 PolarHBondContact O-N 3.39Å; D1125-E1129 WeakPolarHBondContact O-CB 3.35Å; D1125-E1129 WeakPolarHBondContact O-CG 3.42Å; D1125-E1129 PolarHBondContact O-N 3.46Å
1126	R	85.7	Confident	81.1	Confident	126 Å²	126	55.5 Å²	55.5	48%	0.475	28%	0.277	S	S	.	.	H	α-helix	trans	-69.7	-33	172.1	-79	-172.3	-70.3	138.8	6.7	113.6	A1122 I1123 C1124 V1128 E1130 S1131	A1122-R1126 PolarHBondContact O-NE 3.11Å; A1122-R1126 PolarHBondContact O-NH2 2.92Å; I1123-R1126 PolarHBondContact O-N 3.43Å; C1124-R1126 VanDerWaalsContact C-N 3.29Å; C1124-R1126 PolarHBondContact O-N 3.25Å; R1126-V1128 PolarHBondContact O-N 3.02Å; R1126-E1130 HydrophobicContact CB-CG 4.32Å; R1126-E1130 WeakPolarHBondContact CD-OE2 3.44Å; R1126-E1130 HydrophobicContact CG-CG 4.08Å; R1126-E1130 WeakPolarHBondContact CG-OE2 2.93Å; R1126-E1130 WeakPolarHBondContact O-CA 3.34Å; R1126-E1130 WeakPolarHBondContact O-CB 3.43Å; R1126-E1130 PolarHBondContact O-N 3.49Å; R1126-S1131 PolarHBondContact O-N 2.91Å
1127	I	83.6	Confident	80.7	Confident	10 Å²	10	59.5 Å²	59.5	5%	0.051	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-36.7	171.7	-64.2	166.6	0	0	0	109.6	L1017 A1021 M1070 I1088 I1123 C1124 S1131 I1136	L1017-I1127 HydrophobicContact CD2-CG2 4.49Å; A1021-I1127 HydrophobicContact CB-CB 4.29Å; A1021-I1127 HydrophobicContact CB-CG2 4.17Å; M1070-I1127 HydrophobicContact CE-CD1 3.56Å; I1088-I1127 HydrophobicContact CG2-CD1 4.03Å; I1123-I1127 HydrophobicContact CG2-CD1 4.36Å; I1123-I1127 WeakPolarHBondContact O-CG1 3.3Å; I1123-I1127 PolarHBondContact O-N 2.83Å; I1123-I1127 VanDerWaalsContact O-N 3.16Å; C1124-I1127 WeakPolarHBondContact O-CB 3.48Å; C1124-I1127 PolarHBondContact O-N 3.25Å; I1127-S1131 WeakPolarHBondContact O-CB 3.48Å; I1127-I1136 HydrophobicContact CG2-CD1 4.17Å; I1127-I1136 WeakPolarHBondContact O-CD1 3.23Å
1128	V	79.8	Confident	80.2	Confident	43 Å²	43	62.3 Å²	62.3	26%	0.261	31%	0.311	S	S	.	.	H	α-helix	trans	-76	-39.1	178.8	179.2	0	0	0	0	113	Q1018 A1021 L1022 C1124 D1125 R1126	Q1018-V1128 HydrophobicContact CG-CB 4.42Å; Q1018-V1128 HydrophobicContact CG-CG1 4.28Å; Q1018-V1128 HydrophobicContact CG-CG2 4.01Å; A1021-V1128 HydrophobicContact CB-CG2 4.22Å; L1022-V1128 HydrophobicContact CD1-CG2 4.49Å; L1022-V1128 HydrophobicContact CG-CG2 4.03Å; C1124-V1128 WeakPolarHBondContact O-CG2 3.43Å; C1124-V1128 PolarHBondContact O-N 3.07Å; C1124-V1128 VanDerWaalsContact O-N 3.11Å; D1125-V1128 PolarHBondContact O-N 3.39Å; R1126-V1128 PolarHBondContact O-N 3.02Å
1129	E	78.5	Confident	79.7	Confident	158 Å²	158	61.2 Å²	61.2	74%	0.738	30%	0.304	S	S	*	.	H	α-helix	trans	-99.6	-36.6	-170.8	-66.7	178.4	-176.3	0	0	115.2	D1125	D1125-E1129 WeakPolarHBondContact O-CB 3.35Å; D1125-E1129 WeakPolarHBondContact O-CG 3.42Å; D1125-E1129 PolarHBondContact O-N 3.46Å
1130	E	74.5	Confident	78.9	Confident	130 Å²	130	57.3 Å²	57.3	61%	0.607	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-19.4	-172.2	-60.5	-173.5	157.6	0	0	113.6	R1126 R1132	R1126-E1130 HydrophobicContact CB-CG 4.32Å; R1126-E1130 WeakPolarHBondContact CD-OE2 3.44Å; R1126-E1130 HydrophobicContact CG-CG 4.08Å; R1126-E1130 WeakPolarHBondContact CG-OE2 2.93Å; R1126-E1130 WeakPolarHBondContact O-CA 3.34Å; R1126-E1130 WeakPolarHBondContact O-CB 3.43Å; R1126-E1130 PolarHBondContact O-N 3.49Å; E1130-R1132 PolarHBondContact O-N 3.17Å
1131	S	67.4	Low	78.2	Confident	43 Å²	43	61.9 Å²	61.9	30%	0.301	30%	0.304	S	S	.	.			trans	-65.6	127.9	-177.4	-173.5	0	0	0	0	112	R1126 I1127 D1133	R1126-S1131 PolarHBondContact O-N 2.91Å; I1127-S1131 WeakPolarHBondContact O-CB 3.48Å; S1131-D1133 PolarHBondContact OG-N 2.96Å
1132	R	68.1	Low	77.8	Confident	241 Å²	241	62.1 Å²	62.1	91%	0.909	31%	0.305	S	S	*	.			trans	-105.2	1.6	173	-61.1	-175.2	-178.6	-173.9	0.1	113	E1130 P1134	E1130-R1132 PolarHBondContact O-N 3.17Å; R1132-P1134 WeakPolarHBondContact O-CD 3.44Å
1133	D	68.3	Low	77.6	Confident	39 Å²	39	61.8 Å²	61.8	21%	0.209	30%	0.296	C	S	.	.			trans	-84.5	115.4	-179.7	-167.1	-19.2	0	0	0	109.6	S1131 L1135 I1136 Q1229	S1131-D1133 PolarHBondContact OG-N 2.96Å; D1133-L1135 PolarHBondContact O-N 3.47Å; D1133-L1135 VanDerWaalsContact O-N 3.07Å; D1133-L1135 VanDerWaalsContact OD1-CB 3.3Å; D1133-L1135 WeakPolarHBondContact OD1-CB 3.48Å; D1133-L1135 VanDerWaalsContact OD1-CG 3.29Å; D1133-L1135 WeakPolarHBondContact OD1-CG 3.21Å; D1133-L1135 PolarHBondContact OD1-N 3.49Å; D1133-I1136 PolarHBondContact O-N 3.17Å; D1133-Q1229 PolarHBondContact OD2-NE2 3.5Å
1134	P	68.2	Low	77.4	Confident	97 Å²	97	64.4 Å²	64.4	63%	0.63	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-60.8	-17.3	178.6	26	-35.1	0	0	0	113.4	R1132 I1136 L1137 Q1138	R1132-P1134 WeakPolarHBondContact O-CD 3.44Å; P1134-I1136 PolarHBondContact O-N 3.07Å; P1134-I1136 VanDerWaalsContact O-N 3.17Å; P1134-L1137 PolarHBondContact O-N 3.34Å; P1134-L1137 VanDerWaalsContact O-N 3.16Å; P1134-Q1138 PolarHBondContact O-N 3.27Å
1135	L	74.5	Confident	77.3	Confident	7 Å²	7	64.4 Å²	64.4	4%	0.037	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-56.7	-27.3	175.3	-73.5	174.4	0	0	0	114	P1078 F1079 D1133 L1137 P1227 Q1229	P1078-L1135 HydrophobicContact CB-CD1 4.29Å; P1078-L1135 HydrophobicContact CG-CD1 3.65Å; P1078-L1135 HydrophobicContact CG-CD2 4.33Å; F1079-L1135 HydrophobicContact CE1-CB 4.16Å; F1079-L1135 HydrophobicContact CZ-CB 4.14Å; D1133-L1135 PolarHBondContact O-N 3.47Å; D1133-L1135 VanDerWaalsContact O-N 3.07Å; D1133-L1135 VanDerWaalsContact OD1-CB 3.3Å; D1133-L1135 WeakPolarHBondContact OD1-CB 3.48Å; D1133-L1135 VanDerWaalsContact OD1-CG 3.29Å; D1133-L1135 WeakPolarHBondContact OD1-CG 3.21Å; D1133-L1135 PolarHBondContact OD1-N 3.49Å; L1135-L1137 PolarHBondContact O-N 2.91Å; L1135-P1227 HydrophobicContact CD2-CB 3.94Å; L1135-Q1229 HydrophobicContact CD1-CB 4.08Å; L1135-Q1229 HydrophobicContact CD1-CG 3.78Å; L1135-Q1229 HydrophobicContact CD2-CB 4.36Å; L1135-Q1229 HydrophobicContact CD2-CG 4.38Å; L1135-Q1229 HydrophobicContact CG-CG 4.12Å
1136	I	78.7	Confident	77.4	Confident	5 Å²	5	66.7 Å²	66.7	3%	0.026	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-74.7	-17.6	-177.9	77.1	153.1	0	0	0	113.3	L1017 Q1018 Y1085 I1127 D1133 P1134	L1017-I1136 HydrophobicContact CB-CB 4.24Å; L1017-I1136 HydrophobicContact CD2-CB 4.46Å; L1017-I1136 HydrophobicContact CD2-CG2 4.01Å; L1017-I1136 PolarHBondContact N-O 3.48Å; Q1018-I1136 HydrophobicContact CB-CD1 4.14Å; Q1018-I1136 HydrophobicContact CG-CD1 4.34Å; Q1018-I1136 PolarHBondContact N-O 3.06Å; Y1085-I1136 WeakPolarHBondContact OH-CG2 3.37Å; I1127-I1136 HydrophobicContact CG2-CD1 4.17Å; I1127-I1136 WeakPolarHBondContact O-CD1 3.23Å; D1133-I1136 PolarHBondContact O-N 3.17Å; P1134-I1136 PolarHBondContact O-N 3.07Å; P1134-I1136 VanDerWaalsContact O-N 3.17Å
1137	L	76.2	Confident	77.4	Confident	92 Å²	92	60.7 Å²	60.7	48%	0.482	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-24.4	-179.2	-60.8	177.2	0	0	0	112.4	N1016 Q1018 P1134 L1135	N1016-L1137 PolarHBondContact ND2-O 3.37Å; Q1018-L1137 HydrophobicContact CB-CD2 4.26Å; Q1018-L1137 VanDerWaalsContact CD-CD2 3.49Å; Q1018-L1137 HydrophobicContact CG-CD2 4.43Å; Q1018-L1137 VanDerWaalsContact OE1-CD2 3.26Å; P1134-L1137 PolarHBondContact O-N 3.34Å; P1134-L1137 VanDerWaalsContact O-N 3.16Å; L1135-L1137 PolarHBondContact O-N 2.91Å
1138	Q	74.8	Confident	77.5	Confident	60 Å²	60	65.7 Å²	65.7	28%	0.28	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-68.2	133.1	180	-171.5	176.8	11.9	0	0	109.8	N1016 P1134 P1227	N1016-Q1138 WeakPolarHBondContact CB-O 3.48Å; P1134-Q1138 PolarHBondContact O-N 3.27Å; Q1138-P1227 HydrophobicContact CB-CB 3.87Å; Q1138-P1227 HydrophobicContact CB-CG 3.81Å; Q1138-P1227 HydrophobicContact CG-CB 3.97Å; Q1138-P1227 HydrophobicContact CG-CG 3.93Å; Q1138-P1227 WeakPolarHBondContact O-CG 3.41Å
1139	T	74.7	Confident	77.8	Confident	47 Å²	47	64.6 Å²	64.6	29%	0.288	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-84.8	164.6	-178.8	54.4	0	0	0	0	112	E1015 N1016	E1015-T1139 CarbonylContact O-C 3.52Å; E1015-T1139 VanDerWaalsContact O-CA 3.31Å; E1015-T1139 WeakPolarHBondContact O-CA 3.28Å; N1016-T1139 HydrophobicContact CB-CG2 4.26Å
1140	A	73	Confident	77.8	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.033	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-60.2	155.9	158.5	0	0	0	0	0	111	I1012 E1015 K1224	I1012-A1140 HydrophobicContact CG1-CB 4.14Å; E1015-A1140 PolarHBondContact O-N 2.95Å; A1140-K1224 HydrophobicContact CB-CG 4.3Å
1141	Y	75.2	Confident	78.2	Confident	95 Å²	95	59.9 Å²	59.9	37%	0.373	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	168	174.3	63.4	-83.6	0	0	0	110.6	E1143 K1224 K1225 R1226	Y1141-E1143 HydrophobicContact CE2-CB 4.43Å; Y1141-K1224 CarbonylContact O-C 3.54Å; Y1141-K1224 WeakPolarHBondContact O-CA 3.14Å; Y1141-K1225 HydrophobicContact CD1-CB 4.14Å; Y1141-K1225 HydrophobicContact CD2-CB 3.88Å; Y1141-K1225 HydrophobicContact CD2-CG 4.22Å; Y1141-K1225 HydrophobicContact CE1-CB 3.73Å; Y1141-K1225 HydrophobicContact CE2-CB 3.45Å; Y1141-K1225 VanDerWaalsContact CE2-CB 3.45Å; Y1141-K1225 HydrophobicContact CE2-CG 3.69Å; Y1141-K1225 HydrophobicContact CG-CB 4.2Å; Y1141-K1225 PolarHBondContact N-O 2.81Å; Y1141-K1225 PolarHBondContact O-N 3.46Å; Y1141-R1226 WeakPolarHBondContact CE1-O 3.41Å
1142	L	81.7	Confident	78.7	Confident	15 Å²	15	62.2 Å²	62.2	8%	0.079	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.3	177.3	-67.8	166.8	0	0	0	110.6	I934 F936 I1012 V1192 L1222 L1223 K1224	I934-L1142 HydrophobicContact CB-CD1 4.1Å; I934-L1142 HydrophobicContact CG2-CD1 4.22Å; I934-L1142 WeakPolarHBondContact O-CD1 3.1Å; F936-L1142 HydrophobicContact CB-CD1 4.39Å; F936-L1142 HydrophobicContact CD2-CD1 4.46Å; I1012-L1142 HydrophobicContact CD1-CD1 4.07Å; I1012-L1142 HydrophobicContact CD1-CD2 4.08Å; I1012-L1142 HydrophobicContact CD1-CG 3.67Å; L1142-V1192 HydrophobicContact CD2-CB 4.49Å; L1142-V1192 HydrophobicContact CD2-CG2 3.95Å; L1142-L1222 HydrophobicContact CB-CD1 4.07Å; L1142-L1222 HydrophobicContact CD1-CD2 4.35Å; L1142-L1222 HydrophobicContact CD2-CD2 4.19Å; L1142-L1222 HydrophobicContact CD2-CG 4.17Å; L1142-L1223 WeakPolarHBondContact CA-O 3.28Å; L1142-K1224 HydrophobicContact CD2-CB 4.22Å
1143	E	81.9	Confident	79	Confident	40 Å²	40	59.5 Å²	59.5	19%	0.187	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.7	171.3	-173.6	-172	-179.2	0	0	109.8	Y1141 V1145 R1184 L1223 K1225	Y1141-E1143 HydrophobicContact CE2-CB 4.43Å; E1143-V1145 HydrophobicContact CG-CG2 4.01Å; E1143-R1184 WeakPolarHBondContact OE1-CD 3.42Å; E1143-R1184 IonicContact OE1-CZ 2.9Å; E1143-R1184 IonicContact OE1-NE 3.15Å; E1143-R1184 IonicContact OE1-NH1 3.91Å; E1143-R1184 PolarHBondContact OE1-NH1 2.84Å; E1143-L1223 PolarHBondContact N-O 2.92Å; E1143-L1223 PolarHBondContact O-N 3.46Å; E1143-K1225 HydrophobicContact CB-CD 4.1Å; E1143-K1225 HydrophobicContact CB-CG 3.54Å; E1143-K1225 VanDerWaalsContact OE2-CE 3.23Å; E1143-K1225 WeakPolarHBondContact OE2-CE 3.43Å; E1143-K1225 IonicContact OE2-NZ 2.68Å
1144	N	85.5	Confident	79.3	Confident	69 Å²	69	59.7 Å²	59.7	37%	0.369	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124	169.6	-169.5	1.2	0	0	0	110	S1220 L1221 L1222	N1144-S1220 PolarHBondContact ND2-OG 3.47Å; N1144-S1220 PolarHBondContact OD1-OG 2.87Å; N1144-L1221 WeakPolarHBondContact CA-O 3.39Å; N1144-L1221 PolarHBondContact OD1-O 3.44Å; N1144-L1222 HydrophobicContact CB-CD1 4.21Å
1145	V	86.2	Confident	80	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.6	-174.9	177.5	0	0	0	0	109.9	E1143 R1184 L1185 L1221 L1223	E1143-V1145 HydrophobicContact CG-CG2 4.01Å; V1145-R1184 HydrophobicContact CG1-CB 3.78Å; V1145-R1184 HydrophobicContact CG2-CB 3.89Å; V1145-L1185 HydrophobicContact CG1-CD2 4.35Å; V1145-L1185 HydrophobicContact CG1-CG 4.15Å; V1145-L1221 PolarHBondContact N-O 3.3Å; V1145-L1221 PolarHBondContact O-N 3.31Å; V1145-L1223 HydrophobicContact CB-CD1 4.16Å; V1145-L1223 HydrophobicContact CG2-CD1 3.71Å; V1145-L1223 HydrophobicContact CG2-CG 4.42Å
1146	I	88.5	Confident	80.4	Confident	80 Å²	80	57.9 Å²	57.9	41%	0.41	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.5	178.3	-57.5	172.5	0	0	0	109.8	K1148 E1218 V1219	I1146-K1148 HydrophobicContact CG2-CG 4.03Å; I1146-E1218 HydrophobicContact CG2-CB 3.99Å; I1146-V1219 CarbonylContact C-O 3.53Å; I1146-V1219 WeakPolarHBondContact CA-O 3.37Å
1147	V	87.1	Confident	80.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.2	173	-174.8	0	0	0	0	108.9	L1156 P1178 L1185 E1218 V1219 L1221	V1147-L1156 HydrophobicContact CG1-CD2 3.98Å; V1147-P1178 HydrophobicContact CG1-CB 3.62Å; V1147-L1185 HydrophobicContact CG2-CD1 3.59Å; V1147-E1218 WeakPolarHBondContact O-CA 3.31Å; V1147-V1219 PolarHBondContact N-O 3.02Å; V1147-V1219 PolarHBondContact O-N 3.35Å; V1147-L1221 HydrophobicContact CG2-CD1 4.1Å
1148	K	85.6	Confident	81.2	Confident	115 Å²	115	54.1 Å²	54.1	50%	0.5	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.2	-178.8	-55	-162.4	-179	-151.2	0	111.5	I1146 P1178 L1217 E1218	I1146-K1148 HydrophobicContact CG2-CG 4.03Å; K1148-P1178 WeakPolarHBondContact O-CB 3.2Å; K1148-L1217 WeakPolarHBondContact CA-O 3.45Å; K1148-E1218 HydrophobicContact CD-CG 4.09Å; K1148-E1218 WeakPolarHBondContact CD-OE1 3.43Å; K1148-E1218 WeakPolarHBondContact CE-OE1 3.48Å; K1148-E1218 WeakPolarHBondContact CE-OE2 3.3Å; K1148-E1218 HydrophobicContact CG-CG 4.02Å; K1148-E1218 IonicContact NZ-OE1 2.69Å; K1148-E1218 PolarHBondContact NZ-OE1 2.93Å; K1148-E1218 IonicContact NZ-OE2 3.79Å; K1148-E1218 PolarHBondContact NZ-OE2 3.16Å
1149	R	86.1	Confident	81.7	Confident	20 Å²	20	52 Å²	52	8%	0.075	26%	0.26	C	S	.	.			trans	-101.7	152.3	175.1	47.5	-179	176.3	170.7	-2.6	110.8	S1151 L1152 D1154 P1178 C1214 T1216 L1217	R1149-S1151 WeakPolarHBondContact CD-O 3.33Å; R1149-L1152 PolarHBondContact NH1-O 2.96Å; R1149-L1152 VanDerWaalsContact NH1-O 3.17Å; R1149-D1154 HydrophobicContact CB-CB 3.98Å; R1149-P1178 HydrophobicContact CB-CG 4.08Å; R1149-C1214 PolarHBondContact NH2-O 2.93Å; R1149-T1216 PolarHBondContact NE-O 3.04Å; R1149-T1216 PolarHBondContact NH2-O 3.48Å; R1149-L1217 HydrophobicContact CG-CD2 4.42Å; R1149-L1217 VanDerWaalsContact CG-O 3.3Å; R1149-L1217 WeakPolarHBondContact CG-O 3.22Å; R1149-L1217 PolarHBondContact N-O 3.4Å
1150	N	77.8	Confident	82.2	Confident	147 Å²	147	50.4 Å²	50.4	79%	0.786	25%	0.25	S	C	*	.	S	Bend	trans	-82.4	-30.9	-178.1	-52.2	-76	0	0	0	111.7	D1154	N1150-D1154 WeakPolarHBondContact CA-OD2 3.28Å; N1150-D1154 WeakPolarHBondContact CB-OD2 3.36Å; N1150-D1154 PolarHBondContact N-OD2 3Å; N1150-D1154 PolarHBondContact ND2-OD2 2.65Å
1151	S	82.1	Confident	82.6	Confident	41 Å²	41	54 Å²	54	29%	0.287	27%	0.266	S	S	.	.	S	Bend	trans	-134.5	161.5	170.6	91.6	0	0	0	0	111.4	R1149 Q1153 D1154	R1149-S1151 WeakPolarHBondContact CD-O 3.33Å; S1151-Q1153 PolarHBondContact O-N 2.87Å; S1151-Q1153 PolarHBondContact OG-N 3.41Å; S1151-D1154 WeakPolarHBondContact CB-OD1 3.49Å; S1151-D1154 PolarHBondContact N-OD1 3.23Å; S1151-D1154 PolarHBondContact N-OD2 3.37Å; S1151-D1154 PolarHBondContact O-N 3.19Å; S1151-D1154 PolarHBondContact OG-N 2.91Å; S1151-D1154 PolarHBondContact OG-OD1 3.42Å
1152	L	78.3	Confident	82.6	Confident	93 Å²	93	51.3 Å²	51.3	49%	0.487	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-12	172.3	-63.7	174.9	0	0	0	113.2	R1149 E1215 L1217	R1149-L1152 PolarHBondContact NH1-O 2.96Å; R1149-L1152 VanDerWaalsContact NH1-O 3.17Å; L1152-E1215 WeakPolarHBondContact CD2-O 3.38Å; L1152-L1217 HydrophobicContact CD2-CD2 3.97Å; L1152-L1217 HydrophobicContact CD2-CG 4.49Å; L1152-L1217 HydrophobicContact CG-CD2 4.09Å
1153	Q	74	Confident	81.8	Confident	183 Å²	183	53.1 Å²	53.1	86%	0.855	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.2	176.4	-58.4	-178.4	-2.2	0	0	112.9	S1151	S1151-Q1153 PolarHBondContact O-N 2.87Å; S1151-Q1153 PolarHBondContact OG-N 3.41Å
1154	D	75.7	Confident	81	Confident	44 Å²	44	54 Å²	54	24%	0.235	28%	0.277	C	S	.	.	S	Bend	trans	-75.5	138.3	179.5	-51.8	-1.7	0	0	0	110.4	R1149 N1150 S1151	R1149-D1154 HydrophobicContact CB-CB 3.98Å; N1150-D1154 WeakPolarHBondContact CA-OD2 3.28Å; N1150-D1154 WeakPolarHBondContact CB-OD2 3.36Å; N1150-D1154 PolarHBondContact N-OD2 3Å; N1150-D1154 PolarHBondContact ND2-OD2 2.65Å; S1151-D1154 WeakPolarHBondContact CB-OD1 3.49Å; S1151-D1154 PolarHBondContact N-OD1 3.23Å; S1151-D1154 PolarHBondContact N-OD2 3.37Å; S1151-D1154 PolarHBondContact O-N 3.19Å; S1151-D1154 PolarHBondContact OG-N 2.91Å; S1151-D1154 PolarHBondContact OG-OD1 3.42Å
1155	E	81.5	Confident	80.1	Confident	57 Å²	57	57.4 Å²	57.4	27%	0.266	29%	0.289	S	S	.	.			trans	-63.3	137.6	169.8	-48.4	-162.7	123.8	0	0	110.7	G1157 K1174 P1178 S1273 F1274	E1155-G1157 VanDerWaalsContact C-N 3.26Å; E1155-G1157 PolarHBondContact O-N 3.16Å; E1155-K1174 IonicContact OE1-NZ 2.67Å; E1155-K1174 PolarHBondContact OE1-NZ 2.95Å; E1155-K1174 WeakPolarHBondContact OE2-CE 3.49Å; E1155-K1174 IonicContact OE2-NZ 3.2Å; E1155-K1174 PolarHBondContact OE2-NZ 2.92Å; E1155-P1178 WeakPolarHBondContact O-CD 3.31Å; E1155-P1178 WeakPolarHBondContact O-CG 3.29Å; E1155-S1273 WeakPolarHBondContact OE1-CA 3.28Å; E1155-F1274 HydrophobicContact CB-CD2 3.57Å; E1155-F1274 HydrophobicContact CB-CE2 3.83Å; E1155-F1274 HydrophobicContact CB-CG 4.33Å; E1155-F1274 HydrophobicContact CG-CB 3.98Å; E1155-F1274 HydrophobicContact CG-CD2 3.49Å; E1155-F1274 VanDerWaalsContact CG-CD2 3.49Å; E1155-F1274 HydrophobicContact CG-CE2 4.27Å; E1155-F1274 HydrophobicContact CG-CG 3.98Å; E1155-F1274 PolarHBondContact OE1-N 2.65Å
1156	L	82.8	Confident	79.3	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	29%	0.291	C	S	.	.			trans	-64.3	-34.2	169.7	-65.1	172.2	0	0	0	111.8	V1147 F1158 A1179 L1211 V1219	V1147-L1156 HydrophobicContact CG1-CD2 3.98Å; L1156-F1158 HydrophobicContact CB-CD1 4.05Å; L1156-F1158 HydrophobicContact CB-CE1 3.8Å; L1156-F1158 HydrophobicContact CD1-CE1 4.1Å; L1156-A1179 VanDerWaalsContact O-CB 3.24Å; L1156-A1179 WeakPolarHBondContact O-CB 3.31Å; L1156-A1179 PolarHBondContact O-N 3.34Å; L1156-L1211 HydrophobicContact CD1-CD2 4.17Å; L1156-V1219 HydrophobicContact CD1-CG2 4.14Å; L1156-V1219 HydrophobicContact CD2-CG2 3.8Å
1157	G	85.1	Confident	78.7	Confident	4 Å²	4	56 Å²	56	4%	0.041	28%	0.283	C	S	.	.			trans	80.6	38	170.1	0	0	0	0	0	116.1	E1155 K1174 S1177	E1155-G1157 VanDerWaalsContact C-N 3.26Å; E1155-G1157 PolarHBondContact O-N 3.16Å; G1157-K1174 WeakPolarHBondContact O-CB 3.2Å; G1157-K1174 PolarHBondContact O-N 3.16Å; G1157-S1177 PolarHBondContact O-OG 2.95Å
1158	F	87.8	Confident	78.7	Confident	14 Å²	14	56.1 Å²	56.1	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150.3	164	63.4	-86.2	0	0	0	110.3	L1156 I1160 I1170 E1172 V1173 A1179 L1185 I1191 L1211 L1221	L1156-F1158 HydrophobicContact CB-CD1 4.05Å; L1156-F1158 HydrophobicContact CB-CE1 3.8Å; L1156-F1158 HydrophobicContact CD1-CE1 4.1Å; F1158-I1160 HydrophobicContact CD2-CG1 4.04Å; F1158-I1160 HydrophobicContact CE2-CD1 3.96Å; F1158-I1160 HydrophobicContact CE2-CG1 3.85Å; F1158-I1170 HydrophobicContact CB-CG2 4.18Å; F1158-I1170 HydrophobicContact CD2-CD1 4.27Å; F1158-I1170 HydrophobicContact CD2-CG1 4.26Å; F1158-E1172 CarbonylContact C-O 3.47Å; F1158-E1172 WeakPolarHBondContact CA-O 3.36Å; F1158-E1172 WeakPolarHBondContact CB-O 3.42Å; F1158-V1173 HydrophobicContact CB-CG2 4.47Å; F1158-A1179 HydrophobicContact CB-CB 4.21Å; F1158-A1179 HydrophobicContact CD1-CB 4.02Å; F1158-L1185 HydrophobicContact CD1-CD1 4.34Å; F1158-I1191 HydrophobicContact CE2-CD1 4.3Å; F1158-L1211 HydrophobicContact CZ-CD1 4.45Å; F1158-L1221 HydrophobicContact CE1-CD1 4.16Å; F1158-L1221 HydrophobicContact CZ-CD1 3.88Å
1159	N	84.8	Confident	78.6	Confident	15 Å²	15	50.9 Å²	50.9	8%	0.08	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	146.6	174	-72.2	-44.6	0	0	0	110.1	I1170 S1171 E1172 V1272	N1159-I1170 WeakPolarHBondContact O-CA 3.43Å; N1159-S1171 VanDerWaalsContact CB-OG 3.3Å; N1159-S1171 WeakPolarHBondContact CB-OG 3.46Å; N1159-S1171 PolarHBondContact O-N 3.26Å; N1159-S1171 PolarHBondContact O-OG 3.5Å; N1159-E1172 HydrophobicContact CB-CB 4.1Å; N1159-E1172 PolarHBondContact N-O 2.91Å; N1159-E1172 PolarHBondContact ND2-OE2 3.18Å; N1159-V1272 PolarHBondContact OD1-N 3.24Å
1160	I	85.7	Confident	78.6	Confident	15 Å²	15	50 Å²	50	8%	0.077	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.2	178.2	-52.1	173.9	0	0	0	108.8	F1158 H1168 A1169 I1191 L1204 I1207 L1211	F1158-I1160 HydrophobicContact CD2-CG1 4.04Å; F1158-I1160 HydrophobicContact CE2-CD1 3.96Å; F1158-I1160 HydrophobicContact CE2-CG1 3.85Å; I1160-H1168 HydrophobicContact CG2-CB 4.06Å; I1160-A1169 CarbonylContact C-O 3.35Å; I1160-A1169 WeakPolarHBondContact CA-O 3.01Å; I1160-I1191 HydrophobicContact CD1-CD1 3.89Å; I1160-I1191 HydrophobicContact CG1-CD1 4.09Å; I1160-I1191 HydrophobicContact CG2-CD1 4.43Å; I1160-L1204 HydrophobicContact CB-CD1 4.2Å; I1160-L1204 HydrophobicContact CG2-CD1 3.68Å; I1160-I1207 HydrophobicContact CD1-CG2 4.19Å; I1160-L1211 HydrophobicContact CD1-CD1 3.8Å
1161	E	81	Confident	78.8	Confident	80 Å²	80	44.9 Å²	44.9	37%	0.374	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	156.4	166.8	59.6	170.8	-119.2	0	0	111.2	P1163 H1168 A1169 S1171	E1161-P1163 WeakPolarHBondContact O-CD 3.48Å; E1161-H1168 WeakPolarHBondContact O-CA 3.47Å; E1161-A1169 HydrophobicContact CG-CB 4.17Å; E1161-A1169 WeakPolarHBondContact CG-O 3.22Å; E1161-A1169 PolarHBondContact N-O 2.86Å; E1161-A1169 PolarHBondContact O-N 3.35Å; E1161-S1171 WeakPolarHBondContact OE2-CB 3.49Å
1162	A	76.1	Confident	78.8	Confident	37 Å²	37	47 Å²	47	31%	0.306	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	76.6	175.9	0	0	0	0	0	109.7	Y1164 M1167	A1162-Y1164 PolarHBondContact O-N 3.11Å; A1162-M1167 WeakPolarHBondContact CA-O 3.48Å
1163	P	63.8	Low	79.1	Confident	54 Å²	54	44.4 Å²	44.4	35%	0.351	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	-18.3	-175.2	26.8	-34.5	0	0	0	113	E1161	E1161-P1163 WeakPolarHBondContact O-CD 3.48Å
1164	Y	66.5	Low	79.6	Confident	57 Å²	57	38.7 Å²	38.7	22%	0.224	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145	172.2	-54.9	-80.1	0	0	0	109.2	K1068 A1162 G1166 M1167	K1068-Y1164 HydrophobicContact CD-CE1 4.48Å; K1068-Y1164 HydrophobicContact CG-CE1 4.42Å; A1162-Y1164 PolarHBondContact O-N 3.11Å; Y1164-G1166 PolarHBondContact O-N 3.14Å; Y1164-G1166 VanDerWaalsContact O-N 3.14Å; Y1164-M1167 HydrophobicContact CD2-CE 3.48Å; Y1164-M1167 VanDerWaalsContact CD2-CE 3.48Å; Y1164-M1167 HydrophobicContact CE2-CE 4.24Å; Y1164-M1167 HydrophobicContact CG-CE 4.11Å; Y1164-M1167 PolarHBondContact O-N 2.94Å; Y1164-M1167 VanDerWaalsContact O-N 3.11Å
1165	K	66.1	Low	79.7	Confident	142 Å²	142	44.3 Å²	44.3	62%	0.617	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	118.6	-178	-157.5	-169.8	-176.3	-161.3	0	109.5	D956	D956-K1165 IonicContact OD2-NZ 2.83Å; D956-K1165 PolarHBondContact OD2-NZ 2.72Å
1166	G	69.5	Low	79.7	Confident	4 Å²	4	50.4 Å²	50.4	4%	0.041	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	8.1	-179.3	0	0	0	0	0	116.4	Y1164 G1201	Y1164-G1166 PolarHBondContact O-N 3.14Å; Y1164-G1166 VanDerWaalsContact O-N 3.14Å; G1166-G1201 PolarHBondContact O-N 3.46Å
1167	M	75.9	Confident	79.8	Confident	46 Å²	46	50.6 Å²	50.6	23%	0.227	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.8	167.9	-55	-158.6	-45.2	0	0	110.3	L1004 A1162 Y1164 E1190	L1004-M1167 HydrophobicContact CD2-CG 3.94Å; L1004-M1167 HydrophobicContact CD2-SD 3.92Å; A1162-M1167 WeakPolarHBondContact CA-O 3.48Å; Y1164-M1167 HydrophobicContact CD2-CE 3.48Å; Y1164-M1167 VanDerWaalsContact CD2-CE 3.48Å; Y1164-M1167 HydrophobicContact CE2-CE 4.24Å; Y1164-M1167 HydrophobicContact CG-CE 4.11Å; Y1164-M1167 PolarHBondContact O-N 2.94Å; Y1164-M1167 VanDerWaalsContact O-N 3.11Å; M1167-E1190 WeakPolarHBondContact CE-OE1 3.35Å
1168	H	86.8	Confident	79.8	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.009	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	112.6	-168.2	-52.6	-73.2	0	0	0	110	I1160 E1161 E1190 I1191 W1202 I1207	I1160-H1168 HydrophobicContact CG2-CB 4.06Å; E1161-H1168 WeakPolarHBondContact O-CA 3.47Å; H1168-E1190 CarbonylContact O-C 3.4Å; H1168-E1190 WeakPolarHBondContact O-CA 3.47Å; H1168-I1191 HydrophobicContact CB-CB 4.45Å; H1168-I1191 PolarHBondContact O-N 2.9Å; H1168-W1202 PolarHBondContact CE1-O 3.16Å; H1168-W1202 VanDerWaalsContact CE1-O 3.24Å; H1168-W1202 PolarHBondContact NE2-O 2.96Å; H1168-I1207 HydrophobicContact CB-CD1 4.25Å; H1168-I1207 WeakPolarHBondContact CD2-CD1 3.49Å; H1168-I1207 VanDerWaalsContact CG-CD1 3.41Å; H1168-I1207 WeakPolarHBondContact NE2-CD1 3.28Å
1169	A	83.7	Confident	79.6	Confident	6 Å²	6	50.6 Å²	50.6	5%	0.05	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.5	-177.1	0	0	0	0	0	111.2	I1160 E1161 S1171 D1189	I1160-A1169 CarbonylContact C-O 3.35Å; I1160-A1169 WeakPolarHBondContact CA-O 3.01Å; E1161-A1169 HydrophobicContact CG-CB 4.17Å; E1161-A1169 WeakPolarHBondContact CG-O 3.22Å; E1161-A1169 PolarHBondContact N-O 2.86Å; E1161-A1169 PolarHBondContact O-N 3.35Å; A1169-S1171 PolarHBondContact O-N 3.25Å; A1169-D1189 CarbonylContact C-O 3.57Å; A1169-D1189 WeakPolarHBondContact CA-O 3.24Å
1170	I	86.8	Confident	79.6	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.6	176	-62.2	-180	0	0	0	108.6	F1158 N1159 V1173 L1185 S1187 G1188 D1189 I1191 L1223	F1158-I1170 HydrophobicContact CB-CG2 4.18Å; F1158-I1170 HydrophobicContact CD2-CD1 4.27Å; F1158-I1170 HydrophobicContact CD2-CG1 4.26Å; N1159-I1170 WeakPolarHBondContact O-CA 3.43Å; I1170-V1173 HydrophobicContact CG2-CG2 4.09Å; I1170-L1185 HydrophobicContact CD1-CD2 3.45Å; I1170-L1185 VanDerWaalsContact CD1-CD2 3.45Å; I1170-S1187 CarbonylContact O-C 3.6Å; I1170-S1187 VanDerWaalsContact O-CA 3.32Å; I1170-S1187 WeakPolarHBondContact O-CA 3.21Å; I1170-G1188 PolarHBondContact O-N 2.8Å; I1170-D1189 HydrophobicContact CD1-CB 4.47Å; I1170-D1189 PolarHBondContact N-O 3.07Å; I1170-I1191 HydrophobicContact CD1-CG1 4.49Å; I1170-I1191 HydrophobicContact CG1-CD1 4.18Å; I1170-I1191 HydrophobicContact CG1-CG1 4.23Å; I1170-L1223 HydrophobicContact CD1-CD2 4.33Å
1171	S	81.7	Confident	79.4	Confident	40 Å²	40	59.3 Å²	59.3	28%	0.28	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-41.1	-179.2	51.8	0	0	0	0	112.5	N1159 E1161 A1169 S1187	N1159-S1171 VanDerWaalsContact CB-OG 3.3Å; N1159-S1171 WeakPolarHBondContact CB-OG 3.46Å; N1159-S1171 PolarHBondContact O-N 3.26Å; N1159-S1171 PolarHBondContact O-OG 3.5Å; E1161-S1171 WeakPolarHBondContact OE2-CB 3.49Å; A1169-S1171 PolarHBondContact O-N 3.25Å; S1171-S1187 WeakPolarHBondContact O-CB 3.44Å; S1171-S1187 PolarHBondContact O-OG 2.94Å
1172	E	81.7	Confident	79.4	Confident	86 Å²	86	57 Å²	57	40%	0.402	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	143.3	-174.8	-176	-171.3	153.6	0	0	110.9	F1158 N1159	F1158-E1172 CarbonylContact C-O 3.47Å; F1158-E1172 WeakPolarHBondContact CA-O 3.36Å; F1158-E1172 WeakPolarHBondContact CB-O 3.42Å; N1159-E1172 HydrophobicContact CB-CB 4.1Å; N1159-E1172 PolarHBondContact N-O 2.91Å; N1159-E1172 PolarHBondContact ND2-OE2 3.18Å
1173	V	84	Confident	79.5	Confident	37 Å²	37	58.5 Å²	58.5	22%	0.224	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.9	162.5	177.9	0	0	0	0	108	F1158 I1170 A1179 D1180 L1185	F1158-V1173 HydrophobicContact CB-CG2 4.47Å; I1170-V1173 HydrophobicContact CG2-CG2 4.09Å; V1173-A1179 HydrophobicContact CG1-CB 3.89Å; V1173-D1180 HydrophobicContact CG1-CB 4.13Å; V1173-L1185 HydrophobicContact CG2-CB 3.94Å
1174	K	84.7	Confident	80.4	Confident	64 Å²	64	61.7 Å²	61.7	28%	0.278	30%	0.301	S	S	.	.			trans	-86.6	118	-167.1	-151.5	174	-166.7	175.3	0	109	E1155 G1157 R1176 S1177 D1180	E1155-K1174 IonicContact OE1-NZ 2.67Å; E1155-K1174 PolarHBondContact OE1-NZ 2.95Å; E1155-K1174 WeakPolarHBondContact OE2-CE 3.49Å; E1155-K1174 IonicContact OE2-NZ 3.2Å; E1155-K1174 PolarHBondContact OE2-NZ 2.92Å; G1157-K1174 WeakPolarHBondContact O-CB 3.2Å; G1157-K1174 PolarHBondContact O-N 3.16Å; K1174-R1176 PolarHBondContact O-N 3.39Å; K1174-S1177 WeakPolarHBondContact O-CB 3.34Å; K1174-S1177 PolarHBondContact O-N 3.46Å; K1174-S1177 VanDerWaalsContact O-N 3.11Å; K1174-S1177 PolarHBondContact O-OG 2.94Å; K1174-D1180 WeakPolarHBondContact O-CB 3.26Å
1175	F	78.5	Confident	81.3	Confident	162 Å²	162	59.6 Å²	59.6	71%	0.711	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	134.6	-174.3	-178	-119.1	0	0	0	112.9	S1177 D1180	F1175-S1177 VanDerWaalsContact C-N 3.31Å; F1175-S1177 PolarHBondContact O-N 2.73Å; F1175-D1180 WeakPolarHBondContact CD2-OD2 3.43Å
1176	R	80.4	Confident	82	Confident	185 Å²	185	57.1 Å²	57.1	70%	0.698	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	26.6	-173	-60.2	178.6	169.9	-157.9	-3.8	115.9	K1174 D1180 F1181	K1174-R1176 PolarHBondContact O-N 3.39Å; R1176-D1180 PolarHBondContact N-OD2 3.16Å; R1176-F1181 HydrophobicContact CB-CE2 4.39Å; R1176-F1181 HydrophobicContact CB-CZ 4.17Å; R1176-F1181 HydrophobicContact CG-CZ 4.5Å; R1176-F1181 VanDerWaalsContact O-CE2 3.25Å; R1176-F1181 WeakPolarHBondContact O-CE2 3.46Å
1177	S	86.1	Confident	82.4	Confident	11 Å²	11	60.2 Å²	60.2	8%	0.077	31%	0.307	C	S	.	.	S	Bend	trans	-93.4	167.8	168.9	69.6	0	0	0	0	112.5	G1157 K1174 F1175 A1179 D1180 F1181	G1157-S1177 PolarHBondContact O-OG 2.95Å; K1174-S1177 WeakPolarHBondContact O-CB 3.34Å; K1174-S1177 PolarHBondContact O-N 3.46Å; K1174-S1177 VanDerWaalsContact O-N 3.11Å; K1174-S1177 PolarHBondContact O-OG 2.94Å; F1175-S1177 VanDerWaalsContact C-N 3.31Å; F1175-S1177 PolarHBondContact O-N 2.73Å; S1177-A1179 PolarHBondContact O-N 2.97Å; S1177-A1179 PolarHBondContact OG-N 3.09Å; S1177-D1180 PolarHBondContact O-N 3.22Å; S1177-D1180 VanDerWaalsContact O-N 3.08Å; S1177-D1180 PolarHBondContact OG-N 2.64Å; S1177-F1181 WeakPolarHBondContact O-CD2 3.37Å; S1177-F1181 PolarHBondContact O-N 2.86Å
1178	P	83.9	Confident	82.4	Confident	17 Å²	17	58.6 Å²	58.6	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-47	-38.1	167.3	-33.1	40.2	0	0	0	114.7	V1147 K1148 R1149 E1155 C1182	V1147-P1178 HydrophobicContact CG1-CB 3.62Å; K1148-P1178 WeakPolarHBondContact O-CB 3.2Å; R1149-P1178 HydrophobicContact CB-CG 4.08Å; E1155-P1178 WeakPolarHBondContact O-CD 3.31Å; E1155-P1178 WeakPolarHBondContact O-CG 3.29Å; P1178-C1182 PolarHBondContact O-N 2.9Å
1179	A	84.6	Confident	82.3	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-69.5	-40	176.7	0	0	0	0	0	113.4	L1156 F1158 V1173 S1177 C1182 L1185	L1156-A1179 VanDerWaalsContact O-CB 3.24Å; L1156-A1179 WeakPolarHBondContact O-CB 3.31Å; L1156-A1179 PolarHBondContact O-N 3.34Å; F1158-A1179 HydrophobicContact CB-CB 4.21Å; F1158-A1179 HydrophobicContact CD1-CB 4.02Å; V1173-A1179 HydrophobicContact CG1-CB 3.89Å; S1177-A1179 PolarHBondContact O-N 2.97Å; S1177-A1179 PolarHBondContact OG-N 3.09Å; A1179-C1182 PolarHBondContact O-N 3.42Å; A1179-C1182 PolarHBondContact O-SG 3.11Å; A1179-L1185 HydrophobicContact CB-CD1 3.52Å
1180	D	84.7	Confident	82.4	Confident	59 Å²	59	58.8 Å²	58.8	32%	0.316	30%	0.301	S	S	.	.	H	α-helix	trans	-66.7	-43.2	173.6	-173.5	50.5	0	0	0	110.7	V1173 K1174 F1175 R1176 S1177 C1182 G1183	V1173-D1180 HydrophobicContact CG1-CB 4.13Å; K1174-D1180 WeakPolarHBondContact O-CB 3.26Å; F1175-D1180 WeakPolarHBondContact CD2-OD2 3.43Å; R1176-D1180 PolarHBondContact N-OD2 3.16Å; S1177-D1180 PolarHBondContact O-N 3.22Å; S1177-D1180 VanDerWaalsContact O-N 3.08Å; S1177-D1180 PolarHBondContact OG-N 2.64Å; D1180-C1182 VanDerWaalsContact C-N 3.27Å; D1180-C1182 PolarHBondContact O-N 2.71Å; D1180-G1183 PolarHBondContact O-N 3.24Å; D1180-G1183 VanDerWaalsContact O-N 3.14Å
1181	F	81.8	Confident	82.6	Confident	154 Å²	154	58.9 Å²	58.9	68%	0.675	30%	0.302	S	S	*	.	H	α-helix	trans	-66.9	-20.2	176.6	-70.5	-55.2	0	0	0	114.4	R1176 S1177 G1183	R1176-F1181 HydrophobicContact CB-CE2 4.39Å; R1176-F1181 HydrophobicContact CB-CZ 4.17Å; R1176-F1181 HydrophobicContact CG-CZ 4.5Å; R1176-F1181 VanDerWaalsContact O-CE2 3.25Å; R1176-F1181 WeakPolarHBondContact O-CE2 3.46Å; S1177-F1181 WeakPolarHBondContact O-CD2 3.37Å; S1177-F1181 PolarHBondContact O-N 2.86Å; F1181-G1183 VanDerWaalsContact C-N 3.3Å
1182	C	81.2	Confident	83	Confident	31 Å²	31	57.1 Å²	57.1	21%	0.209	29%	0.289	C	S	.	.	H	α-helix	trans	-74.2	-22.3	173.9	92.1	0	0	0	0	112.8	P1178 A1179 D1180 R1184	P1178-C1182 PolarHBondContact O-N 2.9Å; A1179-C1182 PolarHBondContact O-N 3.42Å; A1179-C1182 PolarHBondContact O-SG 3.11Å; D1180-C1182 VanDerWaalsContact C-N 3.27Å; D1180-C1182 PolarHBondContact O-N 2.71Å; C1182-R1184 PolarHBondContact O-N 2.95Å; C1182-R1184 VanDerWaalsContact O-N 3.14Å; C1182-R1184 PolarHBondContact SG-N 2.66Å
1183	G	77.5	Confident	83.4	Confident	69 Å²	69	53.8 Å²	53.8	71%	0.711	27%	0.274	S	S	*	.	S	Bend	trans	65.7	8.5	176.3	0	0	0	0	0	116.5	D1180 F1181	D1180-G1183 PolarHBondContact O-N 3.24Å; D1180-G1183 VanDerWaalsContact O-N 3.14Å; F1181-G1183 VanDerWaalsContact C-N 3.3Å
1184	R	82.2	Confident	83.7	Confident	121 Å²	121	52 Å²	52	46%	0.457	26%	0.263	S	S	.	.			trans	-120.7	-16.6	-173.9	-68.1	175.2	-177.7	-128.3	13.5	115.2	E1143 V1145 C1182 K1225	E1143-R1184 WeakPolarHBondContact OE1-CD 3.42Å; E1143-R1184 IonicContact OE1-CZ 2.9Å; E1143-R1184 IonicContact OE1-NE 3.15Å; E1143-R1184 IonicContact OE1-NH1 3.91Å; E1143-R1184 PolarHBondContact OE1-NH1 2.84Å; V1145-R1184 HydrophobicContact CG1-CB 3.78Å; V1145-R1184 HydrophobicContact CG2-CB 3.89Å; C1182-R1184 PolarHBondContact O-N 2.95Å; C1182-R1184 VanDerWaalsContact O-N 3.14Å; C1182-R1184 PolarHBondContact SG-N 2.66Å; R1184-K1225 PolarHBondContact O-NZ 3.27Å
1185	L	85.1	Confident	83.8	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.068	26%	0.262	C	S	.	.			trans	-84.5	130.7	176.8	-69.1	163.5	0	0	0	110	V1145 V1147 F1158 I1170 V1173 A1179 L1221 L1223	V1145-L1185 HydrophobicContact CG1-CD2 4.35Å; V1145-L1185 HydrophobicContact CG1-CG 4.15Å; V1147-L1185 HydrophobicContact CG2-CD1 3.59Å; F1158-L1185 HydrophobicContact CD1-CD1 4.34Å; I1170-L1185 HydrophobicContact CD1-CD2 3.45Å; I1170-L1185 VanDerWaalsContact CD1-CD2 3.45Å; V1173-L1185 HydrophobicContact CG2-CB 3.94Å; A1179-L1185 HydrophobicContact CB-CD1 3.52Å; L1185-L1221 HydrophobicContact CD2-CD1 3.97Å; L1185-L1223 HydrophobicContact CD2-CD1 3.6Å
1186	M	80.6	Confident	84	Confident	91 Å²	91	50 Å²	50	45%	0.448	26%	0.258	S	S	.	.			trans	-132.2	149.4	176.5	-60.1	-169.5	76.7	0	0	112	G1188 D1189	M1186-G1188 PolarHBondContact O-N 3.39Å; M1186-D1189 PolarHBondContact N-OD2 2.97Å; M1186-D1189 WeakPolarHBondContact O-CB 3.42Å; M1186-D1189 VanDerWaalsContact O-CG 3.28Å; M1186-D1189 PolarHBondContact O-N 3.4Å; M1186-D1189 VanDerWaalsContact O-N 3.07Å
1187	S	77.6	Confident	84.3	Confident	69 Å²	69	45.3 Å²	45.3	48%	0.483	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	125.4	174.1	179.2	0	0	0	0	110.9	I1170 S1171 R1226	I1170-S1187 CarbonylContact O-C 3.6Å; I1170-S1187 VanDerWaalsContact O-CA 3.32Å; I1170-S1187 WeakPolarHBondContact O-CA 3.21Å; S1171-S1187 WeakPolarHBondContact O-CB 3.44Å; S1171-S1187 PolarHBondContact O-OG 2.94Å; S1187-R1226 VanDerWaalsContact O-CZ 3.3Å; S1187-R1226 PolarHBondContact O-NH1 2.91Å; S1187-R1226 PolarHBondContact O-NH2 3.36Å
1188	G	75.9	Confident	84.5	Confident	11 Å²	11	45.2 Å²	45.2	11%	0.113	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	4.4	-173.5	0	0	0	0	0	116.1	I1170 M1186 R1226	I1170-G1188 PolarHBondContact O-N 2.8Å; M1186-G1188 PolarHBondContact O-N 3.39Å; G1188-R1226 PolarHBondContact O-NE 3.12Å
1189	D	84.8	Confident	84.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.			trans	-74.9	144.8	169.4	-69.4	-17.8	0	0	0	110.2	A1169 I1170 M1186 L1223 K1225 R1226	A1169-D1189 CarbonylContact C-O 3.57Å; A1169-D1189 WeakPolarHBondContact CA-O 3.24Å; I1170-D1189 HydrophobicContact CD1-CB 4.47Å; I1170-D1189 PolarHBondContact N-O 3.07Å; M1186-D1189 PolarHBondContact N-OD2 2.97Å; M1186-D1189 WeakPolarHBondContact O-CB 3.42Å; M1186-D1189 VanDerWaalsContact O-CG 3.28Å; M1186-D1189 PolarHBondContact O-N 3.4Å; M1186-D1189 VanDerWaalsContact O-N 3.07Å; D1189-L1223 HydrophobicContact CB-CD1 4.34Å; D1189-K1225 IonicContact OD1-NZ 3.8Å; D1189-K1225 IonicContact OD2-NZ 3.58Å; D1189-K1225 PolarHBondContact OD2-NZ 3.4Å; D1189-R1226 VanDerWaalsContact N-NH2 3.14Å; D1189-R1226 IonicContact OD1-CZ 3.24Å; D1189-R1226 IonicContact OD1-NE 3.17Å; D1189-R1226 IonicContact OD1-NH2 3.58Å; D1189-R1226 PolarHBondContact OD1-NH2 3.04Å
1190	E	87.5	Confident	85	Confident	12 Å²	12	45.2 Å²	45.2	6%	0.056	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.8	-166.9	-165.1	163.5	-131.6	0	0	111	R1076 M1167 H1168 L1223 K1224	R1076-E1190 IonicContact CZ-OE1 2.99Å; R1076-E1190 IonicContact CZ-OE2 2.66Å; R1076-E1190 IonicContact NH1-OE1 2.74Å; R1076-E1190 PolarHBondContact NH1-OE1 3.22Å; R1076-E1190 IonicContact NH1-OE2 3.28Å; R1076-E1190 PolarHBondContact NH1-OE2 2.85Å; R1076-E1190 VanDerWaalsContact NH2-CD 3.29Å; R1076-E1190 IonicContact NH2-OE1 2.7Å; R1076-E1190 PolarHBondContact NH2-OE1 3.15Å; R1076-E1190 IonicContact NH2-OE2 2.96Å; R1076-E1190 PolarHBondContact NH2-OE2 3.38Å; M1167-E1190 WeakPolarHBondContact CE-OE1 3.35Å; H1168-E1190 CarbonylContact O-C 3.4Å; H1168-E1190 WeakPolarHBondContact O-CA 3.47Å; E1190-L1223 CarbonylContact O-C 3.55Å; E1190-L1223 VanDerWaalsContact O-CA 3.31Å; E1190-L1223 WeakPolarHBondContact O-CA 3.17Å; E1190-K1224 HydrophobicContact CB-CB 4.3Å; E1190-K1224 PolarHBondContact N-O 3.46Å; E1190-K1224 PolarHBondContact O-N 3.15Å
1191	I	90.2	Very high	85	Confident	3 Å²	3	43 Å²	43	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124	-169.9	-54.3	173.8	0	0	0	110.1	F1158 I1160 H1168 I1170 V1194 V1199 L1223	F1158-I1191 HydrophobicContact CE2-CD1 4.3Å; I1160-I1191 HydrophobicContact CD1-CD1 3.89Å; I1160-I1191 HydrophobicContact CG1-CD1 4.09Å; I1160-I1191 HydrophobicContact CG2-CD1 4.43Å; H1168-I1191 HydrophobicContact CB-CB 4.45Å; H1168-I1191 PolarHBondContact O-N 2.9Å; I1170-I1191 HydrophobicContact CD1-CG1 4.49Å; I1170-I1191 HydrophobicContact CG1-CD1 4.18Å; I1170-I1191 HydrophobicContact CG1-CG1 4.23Å; I1191-V1194 HydrophobicContact CG2-CG2 3.69Å; I1191-V1199 HydrophobicContact CG2-CG2 3.91Å; I1191-L1223 HydrophobicContact CG1-CD2 4.01Å
1192	V	89.5	Confident	85.3	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-46.7	-177.7	175.3	0	0	0	0	111.5	F936 L1008 L1142 V1199 I1200 L1222 K1224	F936-V1192 HydrophobicContact CD2-CG1 4Å; F936-V1192 HydrophobicContact CE2-CG1 3.37Å; F936-V1192 HydrophobicContact CZ-CG1 3.69Å; L1008-V1192 HydrophobicContact CD2-CG1 3.47Å; L1008-V1192 VanDerWaalsContact CD2-CG1 3.47Å; L1008-V1192 HydrophobicContact CD2-CG2 4.2Å; L1142-V1192 HydrophobicContact CD2-CB 4.49Å; L1142-V1192 HydrophobicContact CD2-CG2 3.95Å; V1192-V1199 PolarHBondContact O-N 3.04Å; V1192-I1200 HydrophobicContact CB-CD1 4.49Å; V1192-I1200 HydrophobicContact CG1-CD1 3.97Å; V1192-I1200 HydrophobicContact CG2-CD1 4.35Å; V1192-L1222 HydrophobicContact CB-CB 4.37Å; V1192-L1222 HydrophobicContact CB-CD2 4.26Å; V1192-L1222 HydrophobicContact CB-CG 4.25Å; V1192-L1222 WeakPolarHBondContact CB-O 3.41Å; V1192-L1222 HydrophobicContact CG1-CD2 3.9Å; V1192-L1222 HydrophobicContact CG1-CG 4.43Å; V1192-L1222 PolarHBondContact N-O 2.95Å; V1192-K1224 HydrophobicContact CG2-CB 3.93Å
1193	Q	91	Very high	85.5	Confident	17 Å²	17	37.3 Å²	37.3	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.1	171.2	-66.3	169.9	-74.1	0	0	111.3	F936 E1196 H1197 L1221 L1222	F936-Q1193 HydrophobicContact CE2-CG 4.23Å; Q1193-E1196 PolarHBondContact NE2-O 2.66Å; Q1193-H1197 CarbonylContact C-O 3.59Å; Q1193-H1197 WeakPolarHBondContact CA-O 3.36Å; Q1193-H1197 WeakPolarHBondContact CB-O 3.15Å; Q1193-L1221 WeakPolarHBondContact O-CA 3.4Å; Q1193-L1222 HydrophobicContact CB-CB 3.76Å; Q1193-L1222 HydrophobicContact CG-CB 4.29Å; Q1193-L1222 HydrophobicContact CG-CD2 4.35Å; Q1193-L1222 PolarHBondContact N-O 3.17Å; Q1193-L1222 PolarHBondContact O-N 3.42Å
1194	V	89.1	Confident	85.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.3	167.7	178.9	0	0	0	0	107.4	I1191 E1196 H1197 V1199 L1210 L1211 V1219 L1221	I1191-V1194 HydrophobicContact CG2-CG2 3.69Å; V1194-E1196 PolarHBondContact O-N 2.69Å; V1194-H1197 PolarHBondContact N-O 3.27Å; V1194-H1197 WeakPolarHBondContact O-CB 3.24Å; V1194-H1197 PolarHBondContact O-N 3.18Å; V1194-V1199 HydrophobicContact CB-CG1 4.41Å; V1194-V1199 HydrophobicContact CG2-CG1 4.18Å; V1194-V1199 HydrophobicContact CG2-CG2 4.42Å; V1194-L1210 HydrophobicContact CB-CD2 3.81Å; V1194-L1210 HydrophobicContact CG1-CD2 4.06Å; V1194-L1210 HydrophobicContact CG1-CG 4.28Å; V1194-L1211 HydrophobicContact CG1-CD2 3.62Å; V1194-L1211 HydrophobicContact CG1-CG 4.22Å; V1194-V1219 HydrophobicContact CG1-CG1 4.48Å; V1194-L1221 HydrophobicContact CB-CD2 4.36Å; V1194-L1221 HydrophobicContact CG1-CD2 4.17Å; V1194-L1221 HydrophobicContact CG2-CD2 3.87Å
1195	N	87.3	Confident	85.8	Confident	45 Å²	45	33.4 Å²	33.4	24%	0.241	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	61.3	-176.2	-66	-15.2	0	0	0	112.5	H1197 C1214 S1220	N1195-H1197 PolarHBondContact O-N 3.22Å; N1195-H1197 PolarHBondContact O-ND1 2.78Å; N1195-C1214 PolarHBondContact ND2-SG 2.97Å; N1195-S1220 PolarHBondContact N-O 3.14Å; N1195-S1220 PolarHBondContact OD1-N 3.43Å
1196	E	82.7	Confident	85.7	Confident	137 Å²	137	35 Å²	35	64%	0.64	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	-13.7	-174.1	-53.7	-61.9	119.8	0	0	116.5	Q1193 V1194 T1198	Q1193-E1196 PolarHBondContact NE2-O 2.66Å; V1194-E1196 PolarHBondContact O-N 2.69Å; E1196-T1198 PolarHBondContact O-N 3.46Å
1197	H	87.6	Confident	86	Confident	87 Å²	87	30.7 Å²	30.7	40%	0.403	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.8	179.5	-65.9	61.8	0	0	0	110.8	Q1193 V1194 N1195 V1199 L1210	Q1193-H1197 CarbonylContact C-O 3.59Å; Q1193-H1197 WeakPolarHBondContact CA-O 3.36Å; Q1193-H1197 WeakPolarHBondContact CB-O 3.15Å; V1194-H1197 PolarHBondContact N-O 3.27Å; V1194-H1197 WeakPolarHBondContact O-CB 3.24Å; V1194-H1197 PolarHBondContact O-N 3.18Å; N1195-H1197 PolarHBondContact O-N 3.22Å; N1195-H1197 PolarHBondContact O-ND1 2.78Å; H1197-V1199 PolarHBondContact O-N 3.41Å; H1197-L1210 HydrophobicContact CB-CD2 3.97Å
1198	T	90.4	Very high	86.2	Confident	9 Å²	9	28.9 Å²	28.9	6%	0.055	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122.3	173.7	-66.1	0	0	0	0	110.9	F936 W943 L1005 E1196 I1200	F936-T1198 HydrophobicContact CE1-CG2 4.16Å; F936-T1198 HydrophobicContact CZ-CG2 3.72Å; F936-T1198 WeakPolarHBondContact CZ-OG1 3.35Å; W943-T1198 HydrophobicContact CH2-CG2 4.11Å; W943-T1198 HydrophobicContact CZ2-CG2 4.11Å; L1005-T1198 HydrophobicContact CD1-CG2 4.16Å; E1196-T1198 PolarHBondContact O-N 3.46Å; T1198-I1200 HydrophobicContact CG2-CB 4.28Å
1199	V	90.2	Very high	86.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.			trans	-108.4	6.7	-176.1	-60	0	0	0	0	113.7	I1191 V1192 V1194 H1197 G1201 W1202 I1207 L1210	I1191-V1199 HydrophobicContact CG2-CG2 3.91Å; V1192-V1199 PolarHBondContact O-N 3.04Å; V1194-V1199 HydrophobicContact CB-CG1 4.41Å; V1194-V1199 HydrophobicContact CG2-CG1 4.18Å; V1194-V1199 HydrophobicContact CG2-CG2 4.42Å; H1197-V1199 PolarHBondContact O-N 3.41Å; V1199-G1201 PolarHBondContact O-N 3.26Å; V1199-W1202 HydrophobicContact CB-CD2 4.24Å; V1199-W1202 HydrophobicContact CB-CE3 4.24Å; V1199-W1202 HydrophobicContact CB-CG 4.38Å; V1199-W1202 HydrophobicContact CG1-CD2 4.25Å; V1199-W1202 HydrophobicContact CG1-CE3 3.86Å; V1199-W1202 HydrophobicContact CG1-CZ3 4.11Å; V1199-W1202 VanDerWaalsContact O-CB 3.29Å; V1199-W1202 WeakPolarHBondContact O-CB 3.5Å; V1199-W1202 PolarHBondContact O-N 3.31Å; V1199-W1202 VanDerWaalsContact O-N 3.16Å; V1199-I1207 HydrophobicContact CB-CD1 3.79Å; V1199-I1207 HydrophobicContact CB-CG1 3.93Å; V1199-I1207 HydrophobicContact CG1-CD1 4.42Å; V1199-I1207 HydrophobicContact CG1-CG1 4.06Å; V1199-I1207 HydrophobicContact CG2-CD1 3.98Å; V1199-L1210 HydrophobicContact CG1-CD2 4Å
1200	I	88.1	Confident	86.6	Confident	19 Å²	19	35.6 Å²	35.6	10%	0.097	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	131.9	176.5	-72.5	-177.2	0	0	0	110.4	W951 L1004 L1008 V1192 T1198 W1202	W951-I1200 PolarHBondContact NE1-O 3.04Å; L1004-I1200 HydrophobicContact CB-CG2 3.63Å; L1008-I1200 HydrophobicContact CB-CD1 4.26Å; L1008-I1200 HydrophobicContact CD2-CD1 3.47Å; L1008-I1200 VanDerWaalsContact CD2-CD1 3.47Å; L1008-I1200 HydrophobicContact CG-CD1 4.33Å; V1192-I1200 HydrophobicContact CB-CD1 4.49Å; V1192-I1200 HydrophobicContact CG1-CD1 3.97Å; V1192-I1200 HydrophobicContact CG2-CD1 4.35Å; T1198-I1200 HydrophobicContact CG2-CB 4.28Å; I1200-W1202 VanDerWaalsContact C-N 3.29Å
1201	G	84	Confident	86.4	Confident	13 Å²	13	36.1 Å²	36.1	13%	0.134	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-8.2	-176.5	0	0	0	0	0	114.9	L955 G1166 V1199	L955-G1201 VanDerWaalsContact CD2-O 3.3Å; L955-G1201 WeakPolarHBondContact CD2-O 3.48Å; G1166-G1201 PolarHBondContact O-N 3.46Å; V1199-G1201 PolarHBondContact O-N 3.26Å
1202	W	89.7	Confident	85.9	Confident	23 Å²	23	42 Å²	42	9%	0.087	21%	0.212	C	C	.	.			trans	-72.7	164.3	-174.6	-75.5	20	0	0	0	113.7	W951 G954 H1168 V1199 I1200 F1206 I1207 L1210	W951-W1202 AromaticContact CD1-NE1 3.58Å; W951-W1202 PolarHBondContact O-NE1 3.28Å; G954-W1202 CarbonylContact O-C 3.51Å; G954-W1202 WeakPolarHBondContact O-CA 3.24Å; G954-W1202 WeakPolarHBondContact O-CB 3.18Å; H1168-W1202 PolarHBondContact CE1-O 3.16Å; H1168-W1202 VanDerWaalsContact CE1-O 3.24Å; H1168-W1202 PolarHBondContact NE2-O 2.96Å; V1199-W1202 HydrophobicContact CB-CD2 4.24Å; V1199-W1202 HydrophobicContact CB-CE3 4.24Å; V1199-W1202 HydrophobicContact CB-CG 4.38Å; V1199-W1202 HydrophobicContact CG1-CD2 4.25Å; V1199-W1202 HydrophobicContact CG1-CE3 3.86Å; V1199-W1202 HydrophobicContact CG1-CZ3 4.11Å; V1199-W1202 VanDerWaalsContact O-CB 3.29Å; V1199-W1202 WeakPolarHBondContact O-CB 3.5Å; V1199-W1202 PolarHBondContact O-N 3.31Å; V1199-W1202 VanDerWaalsContact O-N 3.16Å; I1200-W1202 VanDerWaalsContact C-N 3.29Å; W1202-F1206 HydrophobicContact CE3-CB 3.74Å; W1202-F1206 HydrophobicContact CZ3-CB 4.08Å; W1202-I1207 HydrophobicContact CB-CD1 4.41Å; W1202-I1207 HydrophobicContact CB-CG1 4.33Å; W1202-I1207 HydrophobicContact CE3-CG1 4.1Å; W1202-L1210 HydrophobicContact CZ3-CD2 4.04Å
1203	Q	84.4	Confident	85.3	Confident	42 Å²	42	45.7 Å²	45.7	20%	0.196	24%	0.238	C	C	.	.			trans	-82.7	147.9	163.9	-48.9	-166.3	-16.7	0	0	111.6	G954 L955 D956 N1205 F1206	G954-Q1203 PolarHBondContact O-N 3.3Å; L955-Q1203 WeakPolarHBondContact O-CG 3.38Å; D956-Q1203 PolarHBondContact OD2-NE2 3.01Å; Q1203-N1205 VanDerWaalsContact CB-OD1 3.25Å; Q1203-N1205 WeakPolarHBondContact CB-OD1 3.29Å; Q1203-N1205 PolarHBondContact O-N 3.28Å; Q1203-N1205 VanDerWaalsContact O-N 3.16Å; Q1203-N1205 PolarHBondContact OE1-ND2 3.02Å; Q1203-N1205 PolarHBondContact OE1-OD1 3.45Å; Q1203-F1206 HydrophobicContact CB-CD2 3.94Å; Q1203-F1206 HydrophobicContact CB-CE2 4.29Å; Q1203-F1206 HydrophobicContact CG-CD2 4.37Å; Q1203-F1206 HydrophobicContact CG-CE2 4.3Å; Q1203-F1206 PolarHBondContact O-N 2.98Å; Q1203-F1206 VanDerWaalsContact O-N 3.16Å
1204	L	82.8	Confident	84.7	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-30	-177.3	-170.1	69.2	0	0	0	112.9	I1160 I1207 S1208 L1270	I1160-L1204 HydrophobicContact CB-CD1 4.2Å; I1160-L1204 HydrophobicContact CG2-CD1 3.68Å; L1204-I1207 PolarHBondContact O-N 3Å; L1204-S1208 PolarHBondContact O-N 3.42Å; L1204-S1208 PolarHBondContact O-OG 3.42Å; L1204-L1270 HydrophobicContact CD2-CB 4.24Å
1205	N	82.5	Confident	84.2	Confident	77 Å²	77	53.9 Å²	53.9	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-58.2	-50.4	174.8	27.2	-61	0	0	0	112.1	Q1203 I1207 S1208 E1209	Q1203-N1205 VanDerWaalsContact CB-OD1 3.25Å; Q1203-N1205 WeakPolarHBondContact CB-OD1 3.29Å; Q1203-N1205 PolarHBondContact O-N 3.28Å; Q1203-N1205 VanDerWaalsContact O-N 3.16Å; Q1203-N1205 PolarHBondContact OE1-ND2 3.02Å; Q1203-N1205 PolarHBondContact OE1-OD1 3.45Å; N1205-I1207 VanDerWaalsContact C-N 3.34Å; N1205-I1207 PolarHBondContact O-N 3.44Å; N1205-S1208 WeakPolarHBondContact O-CA 3.3Å; N1205-S1208 VanDerWaalsContact O-CB 3.3Å; N1205-S1208 WeakPolarHBondContact O-CB 3.3Å; N1205-S1208 PolarHBondContact O-N 2.93Å; N1205-E1209 PolarHBondContact O-N 3.36Å
1206	F	84.5	Confident	83.9	Confident	48 Å²	48	55.2 Å²	55.2	21%	0.211	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-35.5	-179.6	-63.7	-68.1	0	0	0	112.9	G954 W1202 Q1203 S1208 E1209 L1210	G954-F1206 WeakPolarHBondContact O-CD2 3.37Å; W1202-F1206 HydrophobicContact CE3-CB 3.74Å; W1202-F1206 HydrophobicContact CZ3-CB 4.08Å; Q1203-F1206 HydrophobicContact CB-CD2 3.94Å; Q1203-F1206 HydrophobicContact CB-CE2 4.29Å; Q1203-F1206 HydrophobicContact CG-CD2 4.37Å; Q1203-F1206 HydrophobicContact CG-CE2 4.3Å; Q1203-F1206 PolarHBondContact O-N 2.98Å; Q1203-F1206 VanDerWaalsContact O-N 3.16Å; F1206-S1208 VanDerWaalsContact C-N 3.31Å; F1206-E1209 PolarHBondContact O-N 2.88Å; F1206-L1210 VanDerWaalsContact O-CB 3.29Å; F1206-L1210 WeakPolarHBondContact O-CB 3.37Å; F1206-L1210 PolarHBondContact O-N 3.35Å
1207	I	85.6	Confident	84.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-36.8	172.9	-58.3	178.1	0	0	0	110.7	I1160 H1168 V1199 W1202 L1204 N1205 L1210 L1211	I1160-I1207 HydrophobicContact CD1-CG2 4.19Å; H1168-I1207 HydrophobicContact CB-CD1 4.25Å; H1168-I1207 WeakPolarHBondContact CD2-CD1 3.49Å; H1168-I1207 VanDerWaalsContact CG-CD1 3.41Å; H1168-I1207 WeakPolarHBondContact NE2-CD1 3.28Å; V1199-I1207 HydrophobicContact CB-CD1 3.79Å; V1199-I1207 HydrophobicContact CB-CG1 3.93Å; V1199-I1207 HydrophobicContact CG1-CD1 4.42Å; V1199-I1207 HydrophobicContact CG1-CG1 4.06Å; V1199-I1207 HydrophobicContact CG2-CD1 3.98Å; W1202-I1207 HydrophobicContact CB-CD1 4.41Å; W1202-I1207 HydrophobicContact CB-CG1 4.33Å; W1202-I1207 HydrophobicContact CE3-CG1 4.1Å; L1204-I1207 PolarHBondContact O-N 3Å; N1205-I1207 VanDerWaalsContact C-N 3.34Å; N1205-I1207 PolarHBondContact O-N 3.44Å; I1207-L1210 PolarHBondContact O-N 3.28Å; I1207-L1211 HydrophobicContact CG2-CD1 4.12Å; I1207-L1211 WeakPolarHBondContact O-CG 3.18Å; I1207-L1211 PolarHBondContact O-N 3.03Å
1208	S	82.4	Confident	84	Confident	30 Å²	30	52.5 Å²	52.5	21%	0.21	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-45.4	176	-52.3	0	0	0	0	111.1	L1204 N1205 F1206 L1211 L1212	L1204-S1208 PolarHBondContact O-N 3.42Å; L1204-S1208 PolarHBondContact O-OG 3.42Å; N1205-S1208 WeakPolarHBondContact O-CA 3.3Å; N1205-S1208 VanDerWaalsContact O-CB 3.3Å; N1205-S1208 WeakPolarHBondContact O-CB 3.3Å; N1205-S1208 PolarHBondContact O-N 2.93Å; F1206-S1208 VanDerWaalsContact C-N 3.31Å; S1208-L1211 PolarHBondContact O-N 3.48Å; S1208-L1212 WeakPolarHBondContact O-CB 3.17Å; S1208-L1212 WeakPolarHBondContact O-CD1 3.25Å; S1208-L1212 VanDerWaalsContact O-CG 3.23Å; S1208-L1212 WeakPolarHBondContact O-CG 3.17Å; S1208-L1212 PolarHBondContact O-N 3.21Å
1209	E	82.9	Confident	83.9	Confident	122 Å²	122	52.1 Å²	52.1	57%	0.57	28%	0.275	S	S	*	.	H	α-helix	trans	-63.7	-41.3	175.2	-69.1	-176.9	148.4	0	0	112.5	N1205 F1206 L1211 L1212 S1213	N1205-E1209 PolarHBondContact O-N 3.36Å; F1206-E1209 PolarHBondContact O-N 2.88Å; E1209-L1211 VanDerWaalsContact C-N 3.34Å; E1209-L1211 PolarHBondContact O-N 3.15Å; E1209-L1212 PolarHBondContact O-N 3.48Å; E1209-S1213 VanDerWaalsContact O-CB 3.29Å; E1209-S1213 WeakPolarHBondContact O-CB 3.4Å; E1209-S1213 PolarHBondContact O-N 2.94Å; E1209-S1213 PolarHBondContact O-OG 3.4Å
1210	L	85.7	Confident	83.8	Confident	31 Å²	31	53.2 Å²	53.2	16%	0.162	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-36.1	177.8	-172.6	67.5	0	0	0	112.7	V1194 H1197 V1199 W1202 F1206 I1207 S1213	V1194-L1210 HydrophobicContact CB-CD2 3.81Å; V1194-L1210 HydrophobicContact CG1-CD2 4.06Å; V1194-L1210 HydrophobicContact CG1-CG 4.28Å; H1197-L1210 HydrophobicContact CB-CD2 3.97Å; V1199-L1210 HydrophobicContact CG1-CD2 4Å; W1202-L1210 HydrophobicContact CZ3-CD2 4.04Å; F1206-L1210 VanDerWaalsContact O-CB 3.29Å; F1206-L1210 WeakPolarHBondContact O-CB 3.37Å; F1206-L1210 PolarHBondContact O-N 3.35Å; I1207-L1210 PolarHBondContact O-N 3.28Å; L1210-S1213 PolarHBondContact O-OG 2.92Å
1211	L	84.5	Confident	83.9	Confident	23 Å²	23	52.3 Å²	52.3	12%	0.12	28%	0.278	C	S	.	.	H	α-helix	trans	-75.8	-34.3	174	-72.2	168.8	0	0	0	112.9	L1156 F1158 I1160 V1194 I1207 S1208 E1209 C1214 V1219	L1156-L1211 HydrophobicContact CD1-CD2 4.17Å; F1158-L1211 HydrophobicContact CZ-CD1 4.45Å; I1160-L1211 HydrophobicContact CD1-CD1 3.8Å; V1194-L1211 HydrophobicContact CG1-CD2 3.62Å; V1194-L1211 HydrophobicContact CG1-CG 4.22Å; I1207-L1211 HydrophobicContact CG2-CD1 4.12Å; I1207-L1211 WeakPolarHBondContact O-CG 3.18Å; I1207-L1211 PolarHBondContact O-N 3.03Å; S1208-L1211 PolarHBondContact O-N 3.48Å; E1209-L1211 VanDerWaalsContact C-N 3.34Å; E1209-L1211 PolarHBondContact O-N 3.15Å; L1211-C1214 WeakPolarHBondContact O-CB 3.38Å; L1211-V1219 HydrophobicContact CD2-CG1 3.99Å
1212	L	78.8	Confident	84.2	Confident	125 Å²	125	51.9 Å²	51.9	65%	0.654	27%	0.272	S	S	*	.	H	α-helix	trans	-77.1	-33.6	179.5	-73.6	168.4	0	0	0	113.3	S1208 E1209 C1214 F1274	S1208-L1212 WeakPolarHBondContact O-CB 3.17Å; S1208-L1212 WeakPolarHBondContact O-CD1 3.25Å; S1208-L1212 VanDerWaalsContact O-CG 3.23Å; S1208-L1212 WeakPolarHBondContact O-CG 3.17Å; S1208-L1212 PolarHBondContact O-N 3.21Å; E1209-L1212 PolarHBondContact O-N 3.48Å; L1212-C1214 PolarHBondContact O-N 2.85Å; L1212-F1274 HydrophobicContact CD2-CE1 4.1Å
1213	S	78	Confident	84.1	Confident	81 Å²	81	50.8 Å²	50.8	57%	0.566	27%	0.268	S	S	*	.	S	Bend	trans	-79.2	-0.7	177	55.6	0	0	0	0	114	E1209 L1210 E1215	E1209-S1213 VanDerWaalsContact O-CB 3.29Å; E1209-S1213 WeakPolarHBondContact O-CB 3.4Å; E1209-S1213 PolarHBondContact O-N 2.94Å; E1209-S1213 PolarHBondContact O-OG 3.4Å; L1210-S1213 PolarHBondContact O-OG 2.92Å; S1213-E1215 PolarHBondContact O-N 3.24Å; S1213-E1215 VanDerWaalsContact O-N 3.13Å
1214	C	76.9	Confident	84.2	Confident	13 Å²	13	50.1 Å²	50.1	9%	0.088	26%	0.264	C	S	.	.			trans	-70	105.1	-179.3	-174.3	0	0	0	0	111.7	R1149 N1195 L1211 L1212 T1216	R1149-C1214 PolarHBondContact NH2-O 2.93Å; N1195-C1214 PolarHBondContact ND2-SG 2.97Å; L1211-C1214 WeakPolarHBondContact O-CB 3.38Å; L1212-C1214 PolarHBondContact O-N 2.85Å; C1214-T1216 VanDerWaalsContact C-N 3.27Å; C1214-T1216 PolarHBondContact O-N 3.1Å; C1214-T1216 PolarHBondContact SG-OG1 3.41Å
1215	E	79.4	Confident	84.1	Confident	177 Å²	177	49 Å²	49	83%	0.827	26%	0.259	S	S	*	.			trans	-78	-3.6	179.4	-60.2	-165.9	154.5	0	0	114.2	L1152 S1213	L1152-E1215 WeakPolarHBondContact CD2-O 3.38Å; S1213-E1215 PolarHBondContact O-N 3.24Å; S1213-E1215 VanDerWaalsContact O-N 3.13Å
1216	T	81.5	Confident	83.3	Confident	72 Å²	72	46.1 Å²	46.1	44%	0.442	24%	0.242	S	C	.	.	S	Bend	trans	-93.8	149.3	-177.4	50.3	0	0	0	0	113.4	R1149 C1214 E1218	R1149-T1216 PolarHBondContact NE-O 3.04Å; R1149-T1216 PolarHBondContact NH2-O 3.48Å; C1214-T1216 VanDerWaalsContact C-N 3.27Å; C1214-T1216 PolarHBondContact O-N 3.1Å; C1214-T1216 PolarHBondContact SG-OG1 3.41Å; T1216-E1218 WeakPolarHBondContact CB-O 3.22Å; T1216-E1218 PolarHBondContact O-N 3.22Å; T1216-E1218 PolarHBondContact OG1-O 3.31Å
1217	L	85.3	Confident	82.1	Confident	81 Å²	81	43.9 Å²	43.9	42%	0.424	23%	0.232	S	C	.	.	S	Bend	trans	-72.5	-11.5	170.5	-67.2	175.1	0	0	0	113	K1148 R1149 L1152	K1148-L1217 WeakPolarHBondContact CA-O 3.45Å; R1149-L1217 HydrophobicContact CG-CD2 4.42Å; R1149-L1217 VanDerWaalsContact CG-O 3.3Å; R1149-L1217 WeakPolarHBondContact CG-O 3.22Å; R1149-L1217 PolarHBondContact N-O 3.4Å; L1152-L1217 HydrophobicContact CD2-CD2 3.97Å; L1152-L1217 HydrophobicContact CD2-CG 4.49Å; L1152-L1217 HydrophobicContact CG-CD2 4.09Å
1218	E	86	Confident	80.9	Confident	87 Å²	87	45.6 Å²	45.6	41%	0.407	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.5	178.9	-48.6	-162.7	-179.6	0	0	109.5	I1146 V1147 K1148 T1216	I1146-E1218 HydrophobicContact CG2-CB 3.99Å; V1147-E1218 WeakPolarHBondContact O-CA 3.31Å; K1148-E1218 HydrophobicContact CD-CG 4.09Å; K1148-E1218 WeakPolarHBondContact CD-OE1 3.43Å; K1148-E1218 WeakPolarHBondContact CE-OE1 3.48Å; K1148-E1218 WeakPolarHBondContact CE-OE2 3.3Å; K1148-E1218 HydrophobicContact CG-CG 4.02Å; K1148-E1218 IonicContact NZ-OE1 2.69Å; K1148-E1218 PolarHBondContact NZ-OE1 2.93Å; K1148-E1218 IonicContact NZ-OE2 3.79Å; K1148-E1218 PolarHBondContact NZ-OE2 3.16Å; T1216-E1218 WeakPolarHBondContact CB-O 3.22Å; T1216-E1218 PolarHBondContact O-N 3.22Å; T1216-E1218 PolarHBondContact OG1-O 3.31Å
1219	V	88	Confident	79.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.7	175	-177.5	0	0	0	0	108.3	I1146 V1147 L1156 V1194 L1211 L1221	I1146-V1219 CarbonylContact C-O 3.53Å; I1146-V1219 WeakPolarHBondContact CA-O 3.37Å; V1147-V1219 PolarHBondContact N-O 3.02Å; V1147-V1219 PolarHBondContact O-N 3.35Å; L1156-V1219 HydrophobicContact CD1-CG2 4.14Å; L1156-V1219 HydrophobicContact CD2-CG2 3.8Å; V1194-V1219 HydrophobicContact CG1-CG1 4.48Å; L1211-V1219 HydrophobicContact CD2-CG1 3.99Å; V1219-L1221 HydrophobicContact CG1-CD2 4.07Å; V1219-L1221 HydrophobicContact CG1-CG 4.36Å
1220	S	89	Confident	77.1	Confident	23 Å²	23	50.9 Å²	50.9	16%	0.161	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.7	175.9	-142	0	0	0	0	110.1	N1144 N1195	N1144-S1220 PolarHBondContact ND2-OG 3.47Å; N1144-S1220 PolarHBondContact OD1-OG 2.87Å; N1195-S1220 PolarHBondContact N-O 3.14Å; N1195-S1220 PolarHBondContact OD1-N 3.43Å
1221	L	90.1	Very high	74.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.5	179.8	-60	174.3	0	0	0	108.8	N1144 V1145 V1147 F1158 L1185 Q1193 V1194 V1219 L1223	N1144-L1221 WeakPolarHBondContact CA-O 3.39Å; N1144-L1221 PolarHBondContact OD1-O 3.44Å; V1145-L1221 PolarHBondContact N-O 3.3Å; V1145-L1221 PolarHBondContact O-N 3.31Å; V1147-L1221 HydrophobicContact CG2-CD1 4.1Å; F1158-L1221 HydrophobicContact CE1-CD1 4.16Å; F1158-L1221 HydrophobicContact CZ-CD1 3.88Å; L1185-L1221 HydrophobicContact CD2-CD1 3.97Å; Q1193-L1221 WeakPolarHBondContact O-CA 3.4Å; V1194-L1221 HydrophobicContact CB-CD2 4.36Å; V1194-L1221 HydrophobicContact CG1-CD2 4.17Å; V1194-L1221 HydrophobicContact CG2-CD2 3.87Å; V1219-L1221 HydrophobicContact CG1-CD2 4.07Å; V1219-L1221 HydrophobicContact CG1-CG 4.36Å; L1221-L1223 HydrophobicContact CB-CD2 4.08Å; L1221-L1223 HydrophobicContact CB-CG 4.37Å
1222	L	89.5	Confident	71.5	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.8	165.2	-172.7	65.7	0	0	0	108.3	I934 F936 L1142 N1144 V1192 Q1193	I934-L1222 HydrophobicContact CD1-CD1 3.5Å; I934-L1222 VanDerWaalsContact CD1-CD1 3.5Å; I934-L1222 HydrophobicContact CD1-CD2 4.38Å; I934-L1222 HydrophobicContact CG2-CD2 4.4Å; F936-L1222 HydrophobicContact CD2-CD2 4.16Å; F936-L1222 HydrophobicContact CE2-CD2 4.05Å; L1142-L1222 HydrophobicContact CB-CD1 4.07Å; L1142-L1222 HydrophobicContact CD1-CD2 4.35Å; L1142-L1222 HydrophobicContact CD2-CD2 4.19Å; L1142-L1222 HydrophobicContact CD2-CG 4.17Å; N1144-L1222 HydrophobicContact CB-CD1 4.21Å; V1192-L1222 HydrophobicContact CB-CB 4.37Å; V1192-L1222 HydrophobicContact CB-CD2 4.26Å; V1192-L1222 HydrophobicContact CB-CG 4.25Å; V1192-L1222 WeakPolarHBondContact CB-O 3.41Å; V1192-L1222 HydrophobicContact CG1-CD2 3.9Å; V1192-L1222 HydrophobicContact CG1-CG 4.43Å; V1192-L1222 PolarHBondContact N-O 2.95Å; Q1193-L1222 HydrophobicContact CB-CB 3.76Å; Q1193-L1222 HydrophobicContact CG-CB 4.29Å; Q1193-L1222 HydrophobicContact CG-CD2 4.35Å; Q1193-L1222 PolarHBondContact N-O 3.17Å; Q1193-L1222 PolarHBondContact O-N 3.42Å
1223	L	88	Confident	69.1	Low	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.4	-177.5	-55.6	176.5	0	0	0	110.7	L1142 E1143 V1145 I1170 L1185 D1189 E1190 I1191 L1221 K1225	L1142-L1223 WeakPolarHBondContact CA-O 3.28Å; E1143-L1223 PolarHBondContact N-O 2.92Å; E1143-L1223 PolarHBondContact O-N 3.46Å; V1145-L1223 HydrophobicContact CB-CD1 4.16Å; V1145-L1223 HydrophobicContact CG2-CD1 3.71Å; V1145-L1223 HydrophobicContact CG2-CG 4.42Å; I1170-L1223 HydrophobicContact CD1-CD2 4.33Å; L1185-L1223 HydrophobicContact CD2-CD1 3.6Å; D1189-L1223 HydrophobicContact CB-CD1 4.34Å; E1190-L1223 CarbonylContact O-C 3.55Å; E1190-L1223 VanDerWaalsContact O-CA 3.31Å; E1190-L1223 WeakPolarHBondContact O-CA 3.17Å; I1191-L1223 HydrophobicContact CG1-CD2 4.01Å; L1221-L1223 HydrophobicContact CB-CD2 4.08Å; L1221-L1223 HydrophobicContact CB-CG 4.37Å; L1223-K1225 HydrophobicContact CB-CD 3.95Å; L1223-K1225 HydrophobicContact CB-CG 4.4Å; L1223-K1225 HydrophobicContact CD1-CD 4.25Å; L1223-K1225 PolarHBondContact O-N 3.19Å
1224	K	86.4	Confident	66.6	Low	28 Å²	28	56.3 Å²	56.3	12%	0.122	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	104.2	159.7	-179.2	-177.2	172.6	-171.6	0	107.8	L1008 E1015 A1140 Y1141 L1142 E1190 V1192	L1008-K1224 HydrophobicContact CD1-CD 4.22Å; E1015-K1224 IonicContact OE1-NZ 2.72Å; E1015-K1224 PolarHBondContact OE1-NZ 3.01Å; E1015-K1224 WeakPolarHBondContact OE2-CE 3.47Å; E1015-K1224 IonicContact OE2-NZ 2.73Å; E1015-K1224 PolarHBondContact OE2-NZ 2.7Å; A1140-K1224 HydrophobicContact CB-CG 4.3Å; Y1141-K1224 CarbonylContact O-C 3.54Å; Y1141-K1224 WeakPolarHBondContact O-CA 3.14Å; L1142-K1224 HydrophobicContact CD2-CB 4.22Å; E1190-K1224 HydrophobicContact CB-CB 4.3Å; E1190-K1224 PolarHBondContact N-O 3.46Å; E1190-K1224 PolarHBondContact O-N 3.15Å; V1192-K1224 HydrophobicContact CG2-CB 3.93Å
1225	K	81.3	Confident	64.2	Low	8 Å²	8	61.9 Å²	61.9	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	158.7	179.2	-58.4	-68.1	-70	-176.2	0	110.5	Y1141 E1143 R1184 D1189 L1223	Y1141-K1225 HydrophobicContact CD1-CB 4.14Å; Y1141-K1225 HydrophobicContact CD2-CB 3.88Å; Y1141-K1225 HydrophobicContact CD2-CG 4.22Å; Y1141-K1225 HydrophobicContact CE1-CB 3.73Å; Y1141-K1225 HydrophobicContact CE2-CB 3.45Å; Y1141-K1225 VanDerWaalsContact CE2-CB 3.45Å; Y1141-K1225 HydrophobicContact CE2-CG 3.69Å; Y1141-K1225 HydrophobicContact CG-CB 4.2Å; Y1141-K1225 PolarHBondContact N-O 2.81Å; Y1141-K1225 PolarHBondContact O-N 3.46Å; E1143-K1225 HydrophobicContact CB-CD 4.1Å; E1143-K1225 HydrophobicContact CB-CG 3.54Å; E1143-K1225 VanDerWaalsContact OE2-CE 3.23Å; E1143-K1225 WeakPolarHBondContact OE2-CE 3.43Å; E1143-K1225 IonicContact OE2-NZ 2.68Å; R1184-K1225 PolarHBondContact O-NZ 3.27Å; D1189-K1225 IonicContact OD1-NZ 3.8Å; D1189-K1225 IonicContact OD2-NZ 3.58Å; D1189-K1225 PolarHBondContact OD2-NZ 3.4Å; L1223-K1225 HydrophobicContact CB-CD 3.95Å; L1223-K1225 HydrophobicContact CB-CG 4.4Å; L1223-K1225 HydrophobicContact CD1-CD 4.25Å; L1223-K1225 PolarHBondContact O-N 3.19Å
1226	R	66.4	Low	61.6	Low	16 Å²	16	59.2 Å²	59.2	6%	0.06	32%	0.318	C	S	.	.			trans	-104.8	163.1	-179.6	-68	158.2	-71.6	171.9	-9.1	111.8	S1077 Y1141 S1187 G1188 D1189 H1228	S1077-R1226 PolarHBondContact O-NH1 2.92Å; Y1141-R1226 WeakPolarHBondContact CE1-O 3.41Å; S1187-R1226 VanDerWaalsContact O-CZ 3.3Å; S1187-R1226 PolarHBondContact O-NH1 2.91Å; S1187-R1226 PolarHBondContact O-NH2 3.36Å; G1188-R1226 PolarHBondContact O-NE 3.12Å; D1189-R1226 VanDerWaalsContact N-NH2 3.14Å; D1189-R1226 IonicContact OD1-CZ 3.24Å; D1189-R1226 IonicContact OD1-NE 3.17Å; D1189-R1226 IonicContact OD1-NH2 3.58Å; D1189-R1226 PolarHBondContact OD1-NH2 3.04Å; R1226-H1228 PolarHBondContact O-CD2 3.4Å; R1226-H1228 PolarHBondContact O-N 2.76Å
1227	P	59.4	Low	59	Low	1 Å²	1	62.2 Å²	62.2	1%	0.006	33%	0.331	C	S	.	.			trans	-47.1	126.1	152.1	-30.8	40.5	0	0	0	111.9	W1073 P1078 L1135 Q1138	W1073-P1227 HydrophobicContact CH2-CG 3.65Å; W1073-P1227 HydrophobicContact CZ3-CG 3.74Å; P1078-P1227 WeakPolarHBondContact CD-O 3.42Å; L1135-P1227 HydrophobicContact CD2-CB 3.94Å; Q1138-P1227 HydrophobicContact CB-CB 3.87Å; Q1138-P1227 HydrophobicContact CB-CG 3.81Å; Q1138-P1227 HydrophobicContact CG-CB 3.97Å; Q1138-P1227 HydrophobicContact CG-CG 3.93Å; Q1138-P1227 WeakPolarHBondContact O-CG 3.41Å
1228	H	59.5	Low	56.2	Low	35 Å²	35	63.9 Å²	63.9	16%	0.162	35%	0.345	C	S	.	.			trans	-132.5	140.9	171.7	-74.6	-63.9	0	0	0	108.7	R1226 H1230	R1226-H1228 PolarHBondContact O-CD2 3.4Å; R1226-H1228 PolarHBondContact O-N 2.76Å; H1228-H1230 PolarHBondContact O-N 3.45Å
1229	Q	45.4	Very low	53.5	Low	128 Å²	128	64.6 Å²	64.6	60%	0.598	37%	0.365	S	S	*	.			trans	-69.6	117.8	-175.3	-134.4	167.3	44.4	0	0	108.7	D1133 L1135 D1231	D1133-Q1229 PolarHBondContact OD2-NE2 3.5Å; L1135-Q1229 HydrophobicContact CD1-CB 4.08Å; L1135-Q1229 HydrophobicContact CD1-CG 3.78Å; L1135-Q1229 HydrophobicContact CD2-CB 4.36Å; L1135-Q1229 HydrophobicContact CD2-CG 4.38Å; L1135-Q1229 HydrophobicContact CG-CG 4.12Å; Q1229-D1231 PolarHBondContact O-N 2.86Å
1230	H	39.6	Very low	50.6	Low	136 Å²	136	72 Å²	72	63%	0.63	41%	0.405	S	S	*	.			trans	-71.3	76.5	-178.9	-93.7	-92.1	0	0	0	111.7	H1228 G1232	H1228-H1230 PolarHBondContact O-N 3.45Å; H1230-G1232 PolarHBondContact O-N 3.39Å
1231	D	27.8	Very low	47.7	Very low	122 Å²	122	77.4 Å²	77.4	65%	0.652	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	44.1	158.3	-142.8	0.1	0	0	0	109.1	Q1229 K1235	Q1229-D1231 PolarHBondContact O-N 2.86Å; D1231-K1235 IonicContact OD1-NZ 2.93Å; D1231-K1235 PolarHBondContact OD1-NZ 3.13Å; D1231-K1235 VanDerWaalsContact OD1-NZ 3.08Å; D1231-K1235 IonicContact OD2-NZ 2.73Å
1232	G	24.9	Very low	44.6	Very low	28 Å²	28	85.7 Å²	85.7	29%	0.289	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.2	5	-151.7	0	0	0	0	0	116.6	H1230	H1230-G1232 PolarHBondContact O-N 3.39Å
1233	I	28.4	Very low	41.5	Very low	100 Å²	100	95.6 Å²	95.6	51%	0.513	51%	0.505	S	S	.	.	S	Bend	trans	-104.1	-3.9	161.3	-76.9	176.2	0	0	0	111.4
1234	V	26.2	Very low	38.6	Very low	124 Å²	124	101.2 Å²	101.2	75%	0.752	54%	0.542	S	S	*	.	S	Bend	trans	-127.3	-7.9	177.8	-175.2	0	0	0	0	113.6
1235	K	25.9	Very low	35.7	Very low	129 Å²	129	105.6 Å²	105.6	56%	0.561	57%	0.571	S	S	*	*			trans	-134.1	50.3	-172	-76.8	-178.4	-171.9	155.5	0	116.7	D1231	D1231-K1235 IonicContact OD1-NZ 2.93Å; D1231-K1235 PolarHBondContact OD1-NZ 3.13Å; D1231-K1235 VanDerWaalsContact OD1-NZ 3.08Å; D1231-K1235 IonicContact OD2-NZ 2.73Å
1236	S	25.6	Very low	33.2	Very low	121 Å²	121	111.4 Å²	111.4	85%	0.846	61%	0.607	S	S	*	*	S	Bend	trans	-93.6	-18.6	144.4	60.2	0	0	0	0	111.8
1237	L	27.2	Very low	31.4	Very low	136 Å²	136	116.3 Å²	116.3	71%	0.712	64%	0.639	S	S	*	*	S	Bend	trans	-83	119.9	167.4	-72.5	166.6	0	0	0	110.2
1238	T	26.6	Very low	29.9	Very low	116 Å²	116	123.1 Å²	123.1	71%	0.712	68%	0.675	S	S	*	*			trans	76.4	44.7	171.2	67.8	0	0	0	0	119.2	N1240	T1238-N1240 PolarHBondContact O-N 3.13Å
1239	A	27.6	Very low	28.4	Very low	102 Å²	102	127.9 Å²	127.9	84%	0.843	71%	0.707	S	S	*	*			trans	-87.3	27.5	152.6	0	0	0	0	0	113
1240	N	26.9	Very low	27.7	Very low	156 Å²	156	127.2 Å²	127.2	83%	0.834	71%	0.713	S	S	*	*			trans	-116.3	45	180	-147.7	-10.2	0	0	0	111.2	T1238	T1238-N1240 PolarHBondContact O-N 3.13Å
1241	I	28.5	Very low	27.5	Very low	135 Å²	135	125.9 Å²	125.9	69%	0.692	72%	0.717	S	S	*	*			trans	-123.4	90.2	174.7	-56.6	-177	0	0	0	109.2
1242	K	26	Very low	27.5	Very low	174 Å²	174	126.1 Å²	126.1	76%	0.757	72%	0.722	S	S	*	*			trans	36.4	120.7	143.3	-62.3	-178	177.4	-179.1	0	118.8
1243	Y	23.8	Very low	27.5	Very low	212 Å²	212	132.7 Å²	132.7	83%	0.831	75%	0.75	S	S	*	*	S	Bend	trans	-40.4	146.1	144.2	-69.5	-89.8	0	0	0	112	T1245	Y1243-T1245 PolarHBondContact O-N 3.2Å
1244	P	27.7	Very low	27.5	Very low	118 Å²	118	134.1 Å²	134.1	77%	0.766	76%	0.764	S	S	*	*			trans	-58.6	111.8	174	-22.2	33.2	0	0	0	111.3	T1246	P1244-T1246 VanDerWaalsContact C-N 3.34Å; P1244-T1246 PolarHBondContact O-N 2.78Å
1245	T	25.6	Very low	27.4	Very low	121 Å²	121	134.8 Å²	134.8	74%	0.742	76%	0.762	S	S	*	*			trans	-80.9	82.2	173	51.2	0	0	0	0	110.1	Y1243	Y1243-T1245 PolarHBondContact O-N 3.2Å
1246	T	28.8	Very low	27.3	Very low	129 Å²	129	136.4 Å²	136.4	79%	0.791	77%	0.771	S	S	*	*			trans	-96.9	126.4	159	47.3	0	0	0	0	109	P1244	P1244-T1246 VanDerWaalsContact C-N 3.34Å; P1244-T1246 PolarHBondContact O-N 2.78Å
1247	V	27.8	Very low	27.3	Very low	120 Å²	120	135.9 Å²	135.9	73%	0.727	77%	0.765	S	S	*	*			trans	-81	161.6	-177.1	-159.9	0	0	0	0	109.9
1248	D	27.3	Very low	27.2	Very low	144 Å²	144	137.9 Å²	137.9	77%	0.77	78%	0.775	S	S	*	*			trans	68	106.4	167	-55.7	-50.3	0	0	0	118.5
1249	V	27.7	Very low	27.1	Very low	135 Å²	135	141.9 Å²	141.9	82%	0.818	78%	0.783	S	S	*	*				163.1	123.6	108.3	163.3	0	0	0	0	110.1
1250	P	32.4	Very low	27	Very low	114 Å²	114	146.9 Å²	146.9	74%	0.74	79%	0.785	S	S	*	*			trans	-103.7	175.5	167.9	39.9	-33.5	0	0	0	112.1
1251	P	34.9	Very low	26.8	Very low	108 Å²	108	151.4 Å²	151.4	70%	0.701	79%	0.791	S	S	*	*			cis	-120.5	-161.5	-30	38.9	-23.6	0	0	0	110.7
1252	T	26.6	Very low	26.6	Very low	126 Å²	126	156.8 Å²	156.8	77%	0.773	80%	0.802	S	S	*	*			trans	55.9	111.9	161.3	49.9	0	0	0	0	119.1
1253	L	25.6	Very low	26.6	Very low	166 Å²	166	160 Å²	160	87%	0.869	81%	0.81	S	S	*	*				-165.9	133.6	125.7	-105.7	161.1	0	0	0	111.3
1254	T	29.1	Very low	26.6	Very low	130 Å²	130	155.2 Å²	155.2	80%	0.798	81%	0.807	S	S	*	*			trans	-83.8	-169.7	172.1	-14.6	0	0	0	0	110.7
1255	I	24	Very low	26.4	Very low	138 Å²	138	154.2 Å²	154.2	71%	0.708	80%	0.803	S	S	*	*			trans	85.7	128.5	173.9	-56.3	160.2	0	0	0	113.3
1256	H	23.7	Very low	26.3	Very low	163 Å²	163	153.3 Å²	153.3	76%	0.755	80%	0.802	S	S	*	*			cis	-158.4	161.2	-14.1	-107.8	-21.2	0	0	0	109.7
1257	P	24.6	Very low	26.1	Very low	111 Å²	111	155.1 Å²	155.1	72%	0.721	81%	0.806	S	S	*	*			trans	-79.3	127.8	-177.1	31.2	-34.7	0	0	0	114.1	K1259	P1257-K1259 PolarHBondContact O-N 3.08Å
1258	L	25.9	Very low	26.1	Very low	178 Å²	178	151.7 Å²	151.7	93%	0.932	80%	0.795	S	S	*	*			trans	-82.9	94.2	177	-83.6	169	0	0	0	112.7
1259	K	25.5	Very low	26.1	Very low	200 Å²	200	151.1 Å²	151.1	87%	0.87	80%	0.796	S	S	*	*			trans	-57.6	135.3	169.2	-65.8	174.1	176.7	173.9	0	112	P1257	P1257-K1259 PolarHBondContact O-N 3.08Å
1260	K	24.3	Very low	26.2	Very low	206 Å²	206	149.2 Å²	149.2	90%	0.896	78%	0.78	S	S	*	*			trans	-143.6	95.5	156.8	-110.5	173.7	-174.8	176.4	0	114.4
1261	R	22.9	Very low	25.9	Very low	251 Å²	251	150.9 Å²	150.9	95%	0.947	78%	0.778	S	S	*	*			trans	56.4	116.4	151.6	-68.6	-174.7	167.2	178.8	-4.6	121.1
1262	R	25.2	Very low	25.7	Very low	249 Å²	249	148 Å²	148	94%	0.94	76%	0.759	S	S	*	*			trans	-72.7	144.7	156.6	-68	173.4	166.4	175.2	-7.3	112.6
1263	R	24.4	Very low	25.9	Very low	242 Å²	242	145.3 Å²	145.3	91%	0.913	75%	0.745	S	S	*	*			trans	-147.8	125.3	131.1	-80.9	-176	174.7	176.7	-5.5	104.6
1264	S	24.5	Very low	26.1	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	72%	0.722	S	S	*	*				61.1	118.6	74.2	-148.6	0	0	0	0	111.5
1265	S	23.4	Very low	26	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	71%	0.711	S	S	*	*			cis	-165.5	163.1	2.8	16.2	0	0	0	0	112.3
1266	S	23.7	Very low	26.2	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	72%	0.719	S	S	*	*			trans	84.6	146.1	176.5	80.5	0	0	0	0	117.9
1267	L	24.8	Very low	26.2	Very low	167 Å²	167	140.9 Å²	140.9	87%	0.874	72%	0.723	S	S	*	*	S	Bend	trans	61.7	129.2	165.7	-63.9	164.7	0	0	0	120.5
1268	G	28.4	Very low	26.3	Very low	48 Å²	48	141 Å²	141	50%	0.495	73%	0.726	S	S	.	*			trans	117	-56.6	141.9	0	0	0	0	0	118.4	L1270	G1268-L1270 PolarHBondContact O-N 2.95Å; G1268-L1270 VanDerWaalsContact O-N 3.09Å
1269	V	26.8	Very low	26.2	Very low	131 Å²	131	140 Å²	140	79%	0.794	72%	0.721	S	S	*	*			trans	-77.7	101.4	-161.3	-172.7	0	0	0	0	112.9
1270	L	28.8	Very low	26.2	Very low	95 Å²	95	139.8 Å²	139.8	50%	0.497	72%	0.72	S	S	.	*			trans	-91.3	115.7	171.4	-155	102.8	0	0	0	110.1	L1204 G1268 V1272	L1204-L1270 HydrophobicContact CD2-CB 4.24Å; G1268-L1270 PolarHBondContact O-N 2.95Å; G1268-L1270 VanDerWaalsContact O-N 3.09Å; L1270-V1272 PolarHBondContact O-N 2.79Å
1271	H	27.4	Very low	26.2	Very low	150 Å²	150	138.7 Å²	138.7	69%	0.694	72%	0.718	S	S	*	*			trans	-77.8	113.1	177.8	-122.9	-61.3	0	0	0	109.9	S1273	H1271-S1273 PolarHBondContact O-N 3.34Å
1272	V	30.7	Very low	26.3	Very low	48 Å²	48	133.4 Å²	133.4	29%	0.291	71%	0.708	S	S	.	*			trans	-90.3	91.9	176.2	-171.3	0	0	0	0	109.7	N1159 L1270 F1274	N1159-V1272 PolarHBondContact OD1-N 3.24Å; L1270-V1272 PolarHBondContact O-N 2.79Å; V1272-F1274 HydrophobicContact CG1-CD2 4.03Å; V1272-F1274 HydrophobicContact CG1-CE2 3.5Å; V1272-F1274 VanDerWaalsContact CG1-CE2 3.5Å; V1272-F1274 HydrophobicContact CG1-CZ 4.11Å
1273	S	29.3	Very low	26.4	Very low	68 Å²	68	129.1 Å²	129.1	48%	0.476	70%	0.704	S	S	.	*			trans	-120.3	122.9	164.1	51.6	0	0	0	0	109.2	E1155 H1271 A1275	E1155-S1273 WeakPolarHBondContact OE1-CA 3.28Å; H1271-S1273 PolarHBondContact O-N 3.34Å; S1273-A1275 PolarHBondContact O-N 2.77Å
1274	F	31	Very low	26.5	Very low	88 Å²	88	123.3 Å²	123.3	39%	0.386	70%	0.695	S	S	.	*	S	Bend	trans	-78.3	16.1	-170.6	-69.6	-112.8	0	0	0	113.7	E1155 L1212 V1272	E1155-F1274 HydrophobicContact CB-CD2 3.57Å; E1155-F1274 HydrophobicContact CB-CE2 3.83Å; E1155-F1274 HydrophobicContact CB-CG 4.33Å; E1155-F1274 HydrophobicContact CG-CB 3.98Å; E1155-F1274 HydrophobicContact CG-CD2 3.49Å; E1155-F1274 VanDerWaalsContact CG-CD2 3.49Å; E1155-F1274 HydrophobicContact CG-CE2 4.27Å; E1155-F1274 HydrophobicContact CG-CG 3.98Å; E1155-F1274 PolarHBondContact OE1-N 2.65Å; L1212-F1274 HydrophobicContact CD2-CE1 4.1Å; V1272-F1274 HydrophobicContact CG1-CD2 4.03Å; V1272-F1274 HydrophobicContact CG1-CE2 3.5Å; V1272-F1274 VanDerWaalsContact CG1-CE2 3.5Å; V1272-F1274 HydrophobicContact CG1-CZ 4.11Å
1275	A	26.8	Very low	26.6	Very low	70 Å²	70	127.4 Å²	127.4	58%	0.579	70%	0.702	S	S	*	*	S	Bend	trans	-125.9	133.6	177.1	0	0	0	0	0	110.2	S1273	S1273-A1275 PolarHBondContact O-N 2.77Å
1276	E	27.3	Very low	26.9	Very low	189 Å²	189	130.5 Å²	130.5	88%	0.883	71%	0.706	S	S	*	*			trans	61.1	96.6	174.7	-56.1	-174.5	173.7	0	0	116.8
1277	L	25.2	Very low	27.2	Very low	157 Å²	157	134.7 Å²	134.7	82%	0.822	71%	0.714	S	S	*	*				-173.2	99.7	126.7	-103	163.4	0	0	0	112.1	L1279	L1277-L1279 HydrophobicContact CD2-CD1 4.18Å; L1277-L1279 HydrophobicContact CD2-CG 4.15Å
1278	S	25.9	Very low	27.3	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	70%	0.702	S	S	*	*			trans	-88.3	121.8	160.1	64	0	0	0	0	109.6
1279	L	24.7	Very low	27.3	Very low	157 Å²	157	136.6 Å²	136.6	82%	0.822	72%	0.717	S	S	*	*			trans	-123.8	144.3	164.8	-77.1	172.2	0	0	0	110	L1277	L1277-L1279 HydrophobicContact CD2-CD1 4.18Å; L1277-L1279 HydrophobicContact CD2-CG 4.15Å
1280	K	24.8	Very low	27.3	Very low	197 Å²	197	136.7 Å²	136.7	86%	0.857	71%	0.709	S	S	*	*			trans	-95.9	157.1	-167.4	-64.3	175.7	178.9	176.3	0	111.2
1281	H	24.2	Very low	27.2	Very low	182 Å²	182	144.3 Å²	144.3	84%	0.843	73%	0.732	S	S	*	*			trans	-60.8	170.5	158.9	-81.5	-70.6	0	0	0	112.2
1282	N	25.4	Very low	27.2	Very low	141 Å²	141	143.3 Å²	143.3	75%	0.754	73%	0.725	S	S	*	*			trans	84	143.5	-171.7	-51.1	3.1	0	0	0	111.8
1283	D	27.5	Very low	27	Very low	159 Å²	159	147.9 Å²	147.9	85%	0.85	75%	0.748	S	S	*	*			cis	-112.9	162.9	17.8	-69.6	-58.6	0	0	0	116.1
1284	T	26.9	Very low	26.8	Very low	119 Å²	119	149.3 Å²	149.3	73%	0.73	76%	0.758	S	S	*	*			trans	-88.6	155.3	172	51.2	0	0	0	0	112
1285	E	26.6	Very low	26.6	Very low	196 Å²	196	152.9 Å²	152.9	92%	0.916	78%	0.779	S	S	*	*				-155.6	149.2	124.6	-120.8	170.1	-160.5	0	0	112.6
1286	H	27.7	Very low	26.9	Very low	163 Å²	163	154.9 Å²	154.9	76%	0.755	79%	0.786	S	S	*	*			trans	-90.1	155.1	177.9	-75.5	-90.6	0	0	0	111
1287	H	30	Very low	27.4	Very low	191 Å²	191	151.3 Å²	151.3	88%	0.884	78%	0.78	S	S	*	*				-147.2	136.2	129.3	-109.9	-73	0	0	0	111
1288	T	28	Very low	27.5	Very low	103 Å²	103	151.4 Å²	151.4	63%	0.632	78%	0.781	S	S	*	*			trans	-87.3	159.1	173	52.5	0	0	0	0	110.6
1289	D	28.7	Very low	27.5	Very low	151 Å²	151	150.9 Å²	150.9	81%	0.807	78%	0.776	S	S	*	*				-168.1	166	104.3	-94.8	3.4	0	0	0	112.3
1290	E	25.8	Very low	27.5	Very low	134 Å²	134	154.1 Å²	154.1	63%	0.626	78%	0.777	S	S	*	*			trans	-77.6	169.4	-170.7	-46.1	-170	103.8	0	0	113	K1292	E1290-K1292 IonicContact OE1-NZ 3.82Å; E1290-K1292 PolarHBondContact OE1-NZ 2.65Å; E1290-K1292 IonicContact OE2-NZ 3.5Å; E1290-K1292 PolarHBondContact OE2-NZ 3.26Å
1291	W	28	Very low	27.6	Very low	255 Å²	255	153.1 Å²	153.1	97%	0.966	78%	0.776	S	S	*	*				-159.8	139.1	106.9	-111.3	48.1	0	0	0	110.9
1292	K	25.7	Very low	27.7	Very low	129 Å²	129	151.5 Å²	151.5	56%	0.561	78%	0.778	S	S	*	*			trans	-96.5	151.7	-178	-54.2	176.9	178.6	84.5	0	110.3	E1290	E1290-K1292 IonicContact OE1-NZ 3.82Å; E1290-K1292 PolarHBondContact OE1-NZ 2.65Å; E1290-K1292 IonicContact OE2-NZ 3.5Å; E1290-K1292 PolarHBondContact OE2-NZ 3.26Å
1293	N	27.3	Very low	27.8	Very low	144 Å²	144	150.5 Å²	150.5	77%	0.77	77%	0.773	S	S	*	*				160.4	120	113.2	-80.8	-38	0	0	0	115
1294	S	25.9	Very low	27.8	Very low	97 Å²	97	147.6 Å²	147.6	68%	0.678	77%	0.771	S	S	*	*			trans	30.4	136.6	137.7	65	0	0	0	0	122.8
1295	I	26.6	Very low	27.7	Very low	164 Å²	164	152.1 Å²	152.1	84%	0.841	77%	0.774	S	S	*	*				-157.2	144.1	108.7	-97.9	150.3	0	0	0	110.5
1296	P	31.7	Very low	27.6	Very low	111 Å²	111	148.2 Å²	148.2	72%	0.721	77%	0.769	S	S	*	*			trans	-98.8	175.6	-173	-0.6	24.5	0	0	0	114.7
1297	P	39.1	Very low	27.5	Very low	115 Å²	115	148.7 Å²	148.7	75%	0.747	78%	0.776	S	S	*	*			trans	-93.7	161.4	-164.4	37.2	-37.7	0	0	0	115.8
1298	N	27.3	Very low	27.2	Very low	158 Å²	158	144 Å²	144	85%	0.845	77%	0.765	S	S	*	*			trans	-174.6	164.5	138.9	-109.6	-63.6	0	0	0	114.5
1299	C	24.5	Very low	27	Very low	102 Å²	102	145.2 Å²	145.2	69%	0.689	77%	0.772	S	S	*	*			trans	89.3	135.8	171.3	-69.2	0	0	0	0	119.1
1300	R	25.2	Very low	26.7	Very low	226 Å²	226	143.7 Å²	143.7	85%	0.853	77%	0.773	S	S	*	*			cis	-162.7	161	-23.9	-130	172.9	-168.8	174.7	3.3	110.7
1301	Q	26.5	Very low	26.7	Very low	176 Å²	176	144.7 Å²	144.7	82%	0.822	78%	0.783	S	S	*	*			trans	-59.2	149	-174.5	-59.2	155.1	-74.2	0	0	115.3
1302	V	26.9	Very low	26.5	Very low	148 Å²	148	137.2 Å²	137.2	90%	0.897	77%	0.77	S	S	*	*			trans	-133.3	134.2	134.9	-178.2	0	0	0	0	107.4
1303	D	28.7	Very low	26.5	Very low	119 Å²	119	135.7 Å²	135.7	64%	0.636	77%	0.767	S	S	*	*			trans	-111	143.5	178	178.5	16.7	0	0	0	109.8
1304	A	26.6	Very low	26.3	Very low	98 Å²	98	138 Å²	138	81%	0.81	78%	0.776	S	S	*	*			trans	-155.4	90.4	175.4	0	0	0	0	0	111
1305	R	25.3	Very low	26.3	Very low	214 Å²	214	136.9 Å²	136.9	81%	0.808	76%	0.759	S	S	*	*			trans	-71.1	168	179.2	-63.3	176.3	175.9	-172.8	-6.3	114.2
1306	S	23.6	Very low	26.3	Very low	114 Å²	114	134 Å²	134	80%	0.797	75%	0.751	S	S	*	*			trans	81.6	123.9	164.7	76.2	0	0	0	0	115.6
1307	L	25.5	Very low	26.2	Very low	173 Å²	173	135.3 Å²	135.3	91%	0.906	75%	0.745	S	S	*	*				-143.1	171.9	57.7	-90.6	155.2	0	0	0	114
1308	S	25.2	Very low	25.8	Very low	93 Å²	93	136.4 Å²	136.4	65%	0.65	75%	0.745	S	S	*	*			trans	-109.4	177.4	-170.6	56.2	0	0	0	0	114.3
1309	T	22.4	Very low	26	Very low	128 Å²	128	140 Å²	140	79%	0.785	75%	0.747	S	S	*	*			trans	63.7	112.3	162.5	57.8	0	0	0	0	118.6
1310	S	23.3	Very low	26.2	Very low	119 Å²	119	141.8 Å²	141.8	83%	0.832	74%	0.739	S	S	*	*				174	151.3	111.4	50.7	0	0	0	0	111.6
1311	N	25.6	Very low	26.6	Very low	156 Å²	156	140.2 Å²	140.2	83%	0.834	73%	0.733	S	S	*	*			trans	-76.4	165.1	-175.8	-65.7	-27.5	0	0	0	113.7
1312	S	23.7	Very low	26.9	Very low	98 Å²	98	133 Å²	133	69%	0.685	70%	0.703	S	S	*	*			trans	98	153.7	142.7	82.8	0	0	0	0	120.3
1313	L	25	Very low	27.4	Very low	97 Å²	97	130.1 Å²	130.1	51%	0.508	69%	0.686	S	S	.	*			trans	73.8	74.2	161	-59.6	169	0	0	0	118.7	T650	T650-L1313 WeakPolarHBondContact O-CD2 3.47Å
1314	M	23.9	Very low	27.7	Very low	193 Å²	193	125.3 Å²	125.3	95%	0.951	66%	0.66	S	S	*	*				-103.4	139.3	129.9	-74.2	-173	72.5	0	0	108.8
1315	K	25.7	Very low	28.3	Very low	73 Å²	73	122.9 Å²	122.9	32%	0.317	64%	0.637	S	S	.	*			trans	-111.6	143.5	176.4	-80.6	174.2	177.7	151	0	110.3	T650 S651 R653 F1317	T650-K1315 WeakPolarHBondContact O-CE 3.27Å; T650-K1315 PolarHBondContact O-NZ 2.87Å; S651-K1315 VanDerWaalsContact O-CE 3.28Å; S651-K1315 WeakPolarHBondContact O-CE 3.47Å; R653-K1315 HydrophobicContact CB-CD 4.48Å; R653-K1315 VanDerWaalsContact CD-NZ 3.3Å; K1315-F1317 PolarHBondContact O-N 3.33Å
1316	P	27.7	Very low	28.9	Very low	103 Å²	103	115.5 Å²	115.5	67%	0.669	62%	0.615	S	S	*	*	S	Bend	trans	-81.2	51.2	-179.1	35.9	-37.4	0	0	0	112.4
1317	F	27.9	Very low	29.7	Very low	138 Å²	138	114 Å²	114	61%	0.605	60%	0.598	S	S	*	*			trans	-150	86.5	176.3	-80.1	-79.2	0	0	0	110.2	L654 K1315	L654-F1317 HydrophobicContact CD1-CG 4.47Å; K1315-F1317 PolarHBondContact O-N 3.33Å
1318	D	30.5	Very low	30.5	Very low	139 Å²	139	108.3 Å²	108.3	74%	0.743	57%	0.567	S	S	*	*			trans	-151.8	104.8	164.3	-154.5	-20.9	0	0	0	110.8	R1320	D1318-R1320 VanDerWaalsContact C-N 3.25Å; D1318-R1320 PolarHBondContact O-N 3.05Å
1319	R	32.6	Very low	31.2	Very low	234 Å²	234	107.1 Å²	107.1	88%	0.883	55%	0.553	S	S	*	*			trans	-83.7	26.6	-172.8	-84.5	-177.2	162.1	-166.9	-7.6	113.7
1320	R	29.2	Very low	32	Very low	138 Å²	138	106.9 Å²	106.9	52%	0.521	54%	0.538	S	S	.	.			trans	-134.3	58.7	-157.3	-62.1	-171.7	-179.7	167	3.7	117.8	D1318 Y1394 A1395	D1318-R1320 VanDerWaalsContact C-N 3.25Å; D1318-R1320 PolarHBondContact O-N 3.05Å; R1320-Y1394 PolarHBondContact NH2-O 3.49Å; R1320-A1395 PolarHBondContact NH2-O 3.1Å
1321	R	32.3	Very low	33.1	Very low	194 Å²	194	107.6 Å²	107.6	73%	0.732	53%	0.528	S	S	*	.			trans	-179.2	121.1	146.4	-107.3	161.6	169.5	-159.9	-11.1	109.9
1322	A	33.8	Very low	33.8	Very low	23 Å²	23	100.4 Å²	100.4	19%	0.19	49%	0.49	C	S	.	.			trans	-162.2	25.6	177.1	0	0	0	0	0	113.2	I1006 F1010	I1006-A1322 HydrophobicContact CD1-CB 4.16Å; I1006-A1322 WeakPolarHBondContact CD1-O 3.43Å; I1006-A1322 HydrophobicContact CG1-CB 4.33Å; I1006-A1322 HydrophobicContact CG2-CB 4.01Å; I1006-A1322 WeakPolarHBondContact CG2-O 3.24Å; F1010-A1322 HydrophobicContact CD2-CB 4Å; F1010-A1322 HydrophobicContact CE2-CB 3.71Å; F1010-A1322 HydrophobicContact CZ-CB 4.44Å
1323	T	36.2	Very low	34.6	Very low	88 Å²	88	97.5 Å²	97.5	54%	0.54	47%	0.465	S	S	.	.			trans	-136.7	114.2	179.7	32.5	0	0	0	0	111.3	S1325	T1323-S1325 PolarHBondContact O-N 3.22Å
1324	F	35.5	Very low	35.4	Very low	19 Å²	19	96.7 Å²	96.7	8%	0.083	47%	0.468	C	S	.	.			trans	-57.6	124	171.2	-59.5	-92.6	0	0	0	109.4	L979 S980 I999 I1002 Q1003	L979-F1324 WeakPolarHBondContact O-CE1 3.2Å; L979-F1324 VanDerWaalsContact O-CZ 3.29Å; L979-F1324 WeakPolarHBondContact O-CZ 3.44Å; S980-F1324 VanDerWaalsContact C-CE1 3.47Å; I999-F1324 HydrophobicContact CB-CZ 4.48Å; I999-F1324 HydrophobicContact CG1-CD1 4.23Å; I999-F1324 HydrophobicContact CG1-CE1 3.86Å; I999-F1324 HydrophobicContact CG1-CZ 4.13Å; I999-F1324 HydrophobicContact CG2-CD1 4.24Å; I999-F1324 HydrophobicContact CG2-CD2 3.96Å; I999-F1324 HydrophobicContact CG2-CE1 4.41Å; I999-F1324 HydrophobicContact CG2-CE2 4.16Å; I999-F1324 HydrophobicContact CG2-CG 4.02Å; I999-F1324 HydrophobicContact CG2-CZ 4.39Å; I1002-F1324 HydrophobicContact CB-CE2 4.12Å; I1002-F1324 HydrophobicContact CB-CZ 4.28Å; I1002-F1324 HydrophobicContact CD1-CZ 4.47Å; I1002-F1324 HydrophobicContact CG2-CE2 3.82Å; I1002-F1324 HydrophobicContact CG2-CZ 4.01Å; Q1003-F1324 HydrophobicContact CB-CD2 4.28Å; Q1003-F1324 HydrophobicContact CB-CE2 4.41Å; Q1003-F1324 HydrophobicContact CG-CD2 4.42Å
1325	S	39.9	Very low	36.2	Very low	47 Å²	47	94.5 Å²	94.5	33%	0.329	45%	0.454	S	S	.	.			trans	-80.8	155.1	174.8	66	0	0	0	0	112	T1323 D1327 E1328 L1329	T1323-S1325 PolarHBondContact O-N 3.22Å; S1325-D1327 PolarHBondContact O-N 2.97Å; S1325-E1328 VanDerWaalsContact CB-OE2 3.27Å; S1325-E1328 WeakPolarHBondContact CB-OE2 3.4Å; S1325-E1328 PolarHBondContact N-OE2 3.49Å; S1325-E1328 PolarHBondContact O-N 3.07Å; S1325-E1328 VanDerWaalsContact O-N 3.16Å; S1325-E1328 WeakPolarHBondContact OG-CB 3.41Å; S1325-E1328 VanDerWaalsContact OG-CD 3.29Å; S1325-E1328 WeakPolarHBondContact OG-CG 3.27Å; S1325-E1328 PolarHBondContact OG-N 3.28Å; S1325-E1328 VanDerWaalsContact OG-N 3.1Å; S1325-E1328 PolarHBondContact OG-OE2 2.77Å; S1325-L1329 PolarHBondContact O-N 3.36Å
1326	V	36.7	Very low	36.8	Very low	59 Å²	59	93.3 Å²	93.3	36%	0.358	46%	0.457	S	S	.	.	H	α-helix	trans	-60.2	-25.6	172.8	-179.1	0	0	0	0	111.3	R1330	V1326-R1330 WeakPolarHBondContact O-CG 3.32Å; V1326-R1330 PolarHBondContact O-N 3.42Å
1327	D	40.8	Very low	37.3	Very low	83 Å²	83	91.9 Å²	91.9	44%	0.444	44%	0.444	S	S	.	.	H	α-helix	trans	-79	-35.4	176	-70.9	-43.5	0	0	0	113.2	S1325 L1329 R1330 E1331	S1325-D1327 PolarHBondContact O-N 2.97Å; D1327-L1329 VanDerWaalsContact C-N 3.29Å; D1327-L1329 PolarHBondContact O-N 3.34Å; D1327-R1330 WeakPolarHBondContact O-CA 3.46Å; D1327-R1330 WeakPolarHBondContact O-CB 3.09Å; D1327-R1330 PolarHBondContact O-N 2.55Å; D1327-R1330 WeakPolarHBondContact OD1-CD 3.45Å; D1327-R1330 IonicContact OD1-CZ 3.79Å; D1327-R1330 IonicContact OD1-NE 3.84Å; D1327-R1330 IonicContact OD1-NH1 2.9Å; D1327-R1330 PolarHBondContact OD1-NH1 3.27Å; D1327-E1331 PolarHBondContact O-N 3.36Å
1328	E	42.9	Very low	37.7	Very low	52 Å²	52	92 Å²	92	24%	0.243	45%	0.45	C	S	.	.	H	α-helix	trans	-64.7	-33.6	171.3	-82.1	159.5	142.6	0	0	112	S981 S1325 A1332	S981-E1328 VanDerWaalsContact OG-C 3.23Å; S981-E1328 WeakPolarHBondContact OG-CB 3.4Å; S981-E1328 PolarHBondContact OG-O 3.26Å; S1325-E1328 VanDerWaalsContact CB-OE2 3.27Å; S1325-E1328 WeakPolarHBondContact CB-OE2 3.4Å; S1325-E1328 PolarHBondContact N-OE2 3.49Å; S1325-E1328 PolarHBondContact O-N 3.07Å; S1325-E1328 VanDerWaalsContact O-N 3.16Å; S1325-E1328 WeakPolarHBondContact OG-CB 3.41Å; S1325-E1328 VanDerWaalsContact OG-CD 3.29Å; S1325-E1328 WeakPolarHBondContact OG-CG 3.27Å; S1325-E1328 PolarHBondContact OG-N 3.28Å; S1325-E1328 VanDerWaalsContact OG-N 3.1Å; S1325-E1328 PolarHBondContact OG-OE2 2.77Å; E1328-A1332 PolarHBondContact O-N 2.63Å
1329	L	40.3	Very low	37.7	Very low	68 Å²	68	88.5 Å²	88.5	36%	0.356	45%	0.447	S	S	.	.	H	α-helix	trans	-68.7	-31.9	168.8	-83.1	163.5	0	0	0	112.7	I999 S1325 D1327 H1333	I999-L1329 HydrophobicContact CD1-CD2 3.77Å; S1325-L1329 PolarHBondContact O-N 3.36Å; D1327-L1329 VanDerWaalsContact C-N 3.29Å; D1327-L1329 PolarHBondContact O-N 3.34Å; L1329-H1333 PolarHBondContact O-N 3.31Å
1330	R	39.8	Very low	37.5	Very low	124 Å²	124	81.2 Å²	81.2	47%	0.468	45%	0.445	S	S	.	.	H	α-helix	trans	-68.5	-42.8	175.4	-77.8	170.3	60.6	-152.7	-1.5	112.4	V1326 D1327 H1333 S1334	V1326-R1330 WeakPolarHBondContact O-CG 3.32Å; V1326-R1330 PolarHBondContact O-N 3.42Å; D1327-R1330 WeakPolarHBondContact O-CA 3.46Å; D1327-R1330 WeakPolarHBondContact O-CB 3.09Å; D1327-R1330 PolarHBondContact O-N 2.55Å; D1327-R1330 WeakPolarHBondContact OD1-CD 3.45Å; D1327-R1330 IonicContact OD1-CZ 3.79Å; D1327-R1330 IonicContact OD1-NE 3.84Å; D1327-R1330 IonicContact OD1-NH1 2.9Å; D1327-R1330 PolarHBondContact OD1-NH1 3.27Å; R1330-H1333 PolarHBondContact O-N 2.82Å; R1330-S1334 VanDerWaalsContact O-CB 3.29Å; R1330-S1334 WeakPolarHBondContact O-CB 3.08Å; R1330-S1334 PolarHBondContact O-N 3.38Å
1331	E	44.4	Very low	37.4	Very low	134 Å²	134	80.3 Å²	80.3	63%	0.626	46%	0.455	S	S	*	.	H	α-helix	trans	-65.3	-41.4	177.8	-66.4	-163.6	144.1	0	0	110.9	D1327 S1334 F1335	D1327-E1331 PolarHBondContact O-N 3.36Å; E1331-S1334 PolarHBondContact O-N 3.29Å; E1331-F1335 PolarHBondContact O-N 3.43Å
1332	A	40.9	Very low	37.1	Very low	5 Å²	5	77 Å²	77	4%	0.041	46%	0.458	C	S	.	.	H	α-helix	trans	-56.7	-51.5	172.3	0	0	0	0	0	113.5	I985 L995 E1328 S1334 F1335 A1336	I985-A1332 HydrophobicContact CD1-CB 3.54Å; L995-A1332 HydrophobicContact CD2-CB 3.89Å; E1328-A1332 PolarHBondContact O-N 2.63Å; A1332-S1334 VanDerWaalsContact C-N 3.29Å; A1332-S1334 PolarHBondContact O-N 2.78Å; A1332-F1335 PolarHBondContact O-N 3.22Å; A1332-A1336 PolarHBondContact O-N 2.76Å
1333	H	40.1	Very low	36.8	Very low	36 Å²	36	87.2 Å²	87.2	17%	0.167	49%	0.492	C	S	.	.	H	α-helix	trans	-61.7	-37.1	176.5	-118.2	-96.8	0	0	0	112.2	L1329 R1330 F1335 L1337	L1329-H1333 PolarHBondContact O-N 3.31Å; R1330-H1333 PolarHBondContact O-N 2.82Å; H1333-F1335 VanDerWaalsContact C-N 3.32Å; H1333-F1335 PolarHBondContact O-N 2.94Å; H1333-L1337 WeakPolarHBondContact O-CG 3.49Å; H1333-L1337 PolarHBondContact O-N 3.1Å
1334	S	41.8	Very low	36.4	Very low	80 Å²	80	93.7 Å²	93.7	56%	0.559	51%	0.506	S	S	*	.	H	α-helix	trans	-69.7	-26.4	178.6	-170.9	0	0	0	0	113.4	R1330 E1331 A1332 N1338	R1330-S1334 VanDerWaalsContact O-CB 3.29Å; R1330-S1334 WeakPolarHBondContact O-CB 3.08Å; R1330-S1334 PolarHBondContact O-N 3.38Å; E1331-S1334 PolarHBondContact O-N 3.29Å; A1332-S1334 VanDerWaalsContact C-N 3.29Å; A1332-S1334 PolarHBondContact O-N 2.78Å; S1334-N1338 PolarHBondContact O-ND2 3.45Å
1335	F	41.4	Very low	36	Very low	148 Å²	148	101.9 Å²	101.9	65%	0.649	54%	0.542	S	S	*	.	H	α-helix	trans	-78	-45.5	177.5	-144.8	-94.3	0	0	0	111.1	I985 E1331 A1332 H1333 L1337	I985-F1335 HydrophobicContact CG2-CD1 4.39Å; E1331-F1335 PolarHBondContact O-N 3.43Å; A1332-F1335 PolarHBondContact O-N 3.22Å; H1333-F1335 VanDerWaalsContact C-N 3.32Å; H1333-F1335 PolarHBondContact O-N 2.94Å; F1335-L1337 PolarHBondContact O-N 3.15Å
1336	A	38.8	Very low	35.3	Very low	48 Å²	48	111.2 Å²	111.2	40%	0.397	57%	0.57	S	S	.	*	H	α-helix	trans	-66.7	-29.9	-177.4	0	0	0	0	0	114.4	L992 A1332 N1338	L992-A1336 HydrophobicContact CD1-CB 4.22Å; L992-A1336 HydrophobicContact CG-CB 4.49Å; A1332-A1336 PolarHBondContact O-N 2.76Å; A1336-N1338 VanDerWaalsContact C-N 3.34Å; A1336-N1338 PolarHBondContact O-N 3.17Å
1337	L	37.9	Very low	34.9	Very low	73 Å²	73	114.5 Å²	114.5	38%	0.382	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.3	8.8	-171.9	-72.6	172.7	0	0	0	115.8	H1333 F1335 G1339	H1333-L1337 WeakPolarHBondContact O-CG 3.49Å; H1333-L1337 PolarHBondContact O-N 3.1Å; F1335-L1337 PolarHBondContact O-N 3.15Å; L1337-G1339 VanDerWaalsContact C-N 3.34Å
1338	N	36	Very low	34.2	Very low	140 Å²	140	116.4 Å²	116.4	75%	0.749	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-5.2	176.3	-74.7	-51.8	0	0	0	114.5	S1334 A1336	S1334-N1338 PolarHBondContact O-ND2 3.45Å; A1336-N1338 VanDerWaalsContact C-N 3.34Å; A1336-N1338 PolarHBondContact O-N 3.17Å
1339	G	29.6	Very low	33.5	Very low	66 Å²	66	117.8 Å²	117.8	68%	0.68	63%	0.626	S	S	*	*	S	Bend	trans	-84.5	117.8	169.8	0	0	0	0	0	112.1	L1337	L1337-G1339 VanDerWaalsContact C-N 3.34Å
1340	G	28.5	Very low	32.9	Very low	80 Å²	80	121 Å²	121	83%	0.825	64%	0.642	S	S	*	*			trans	-90	122	-168.7	0	0	0	0	0	116.3
1341	V	26.9	Very low	32.5	Very low	120 Å²	120	122.4 Å²	122.4	73%	0.727	66%	0.658	S	S	*	*			trans	-140.7	134.3	163.4	-175.5	0	0	0	0	109.7
1342	P	28	Very low	31.7	Very low	123 Å²	123	124.1 Å²	124.1	80%	0.799	67%	0.666	S	S	*	*			trans	-92.6	149	-178.5	35.5	-34.1	0	0	0	113.9
1343	W	26.8	Very low	31.1	Very low	238 Å²	238	130.6 Å²	130.6	90%	0.902	70%	0.695	S	S	*	*			trans	-126.6	159.8	-176.8	-96.1	87	0	0	0	114.7
1344	R	27.2	Very low	30.6	Very low	224 Å²	224	132 Å²	132	85%	0.845	71%	0.713	S	S	*	*			trans	-151.1	133.7	178	-119	-178.1	179.1	-171.4	1.6	112.7
1345	K	28	Very low	30.1	Very low	191 Å²	191	133.1 Å²	133.1	83%	0.83	72%	0.72	S	S	*	*			trans	60.1	104.2	163.7	-64.3	-174.6	173.9	-174.8	0	118.9
1346	R	25.6	Very low	29.5	Very low	244 Å²	244	130.6 Å²	130.6	92%	0.921	72%	0.721	S	S	*	*				-177.2	117.2	112.5	-101.9	168.9	176	168.1	-1.3	111.1
1347	N	26.4	Very low	29.1	Very low	127 Å²	127	131.5 Å²	131.5	68%	0.679	72%	0.722	S	S	*	*			trans	-146.3	97.7	172.6	-106.9	-32.3	0	0	0	109
1348	S	27.5	Very low	29	Very low	123 Å²	123	133.6 Å²	133.6	86%	0.86	74%	0.743	S	S	*	*	S	Bend	trans	-167.4	-0.3	174	71.4	0	0	0	0	116.9
1349	A	26.7	Very low	29.1	Very low	82 Å²	82	130.4 Å²	130.4	68%	0.678	73%	0.726	S	S	*	*	S	Bend	trans	-115.2	-17.2	-163.3	0	0	0	0	0	116.3
1350	L	28.6	Very low	29.7	Very low	134 Å²	134	128.5 Å²	128.5	70%	0.702	70%	0.7	S	S	*	*	S	Bend	trans	-98.3	13.6	-163.3	-80.5	160.3	0	0	0	115.5
1351	I	30.5	Very low	30.1	Very low	155 Å²	155	128.4 Å²	128.4	80%	0.795	69%	0.686	S	S	*	*	S	Bend	trans	-107.4	-22.7	-169.9	-65.2	178.2	0	0	0	113.4
1352	E	29.1	Very low	30.7	Very low	170 Å²	170	127.2 Å²	127.2	79%	0.794	67%	0.673	S	S	*	*	S	Bend	trans	-85.2	-36.6	-175.9	-64	-170.4	132.6	0	0	113.6	A1354 S1355	E1352-A1354 PolarHBondContact O-N 3.19Å; E1352-S1355 PolarHBondContact O-N 3.19Å; E1352-S1355 PolarHBondContact O-OG 2.59Å
1353	E	28.5	Very low	31.2	Very low	141 Å²	141	123.7 Å²	123.7	66%	0.659	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-68.3	-38.8	-173.8	-63	-169.4	124.5	0	0	113.5	S1355 S1356	E1353-S1355 PolarHBondContact O-N 3.16Å; E1353-S1356 PolarHBondContact O-N 3.3Å; E1353-S1356 VanDerWaalsContact O-N 3.08Å; E1353-S1356 PolarHBondContact O-OG 3.21Å
1354	A	29.6	Very low	31.9	Very low	65 Å²	65	116.1 Å²	116.1	54%	0.537	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-66.3	2.9	-179.7	0	0	0	0	0	114.7	E1352	E1352-A1354 PolarHBondContact O-N 3.19Å
1355	S	29.5	Very low	32.5	Very low	103 Å²	103	106.9 Å²	106.9	72%	0.72	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-87.5	-6.1	171.2	68.8	0	0	0	0	113.8	E1352 E1353	E1352-S1355 PolarHBondContact O-N 3.19Å; E1352-S1355 PolarHBondContact O-OG 2.59Å; E1353-S1355 PolarHBondContact O-N 3.16Å
1356	S	30.3	Very low	32.8	Very low	95 Å²	95	100.7 Å²	100.7	66%	0.664	57%	0.567	S	S	*	*	S	Bend	trans	-124	-3.3	-163.6	71.7	0	0	0	0	116.1	E1353	E1353-S1356 PolarHBondContact O-N 3.3Å; E1353-S1356 VanDerWaalsContact O-N 3.08Å; E1353-S1356 PolarHBondContact O-OG 3.21Å
1357	T	29.1	Very low	33.3	Very low	68 Å²	68	92.6 Å²	92.6	42%	0.417	54%	0.542	S	S	.	.			trans	-127.4	136.8	-172	41.5	0	0	0	0	111.3	D1359 Q1362	T1357-D1359 PolarHBondContact O-N 3.19Å; T1357-D1359 VanDerWaalsContact O-N 3.16Å; T1357-Q1362 PolarHBondContact OG1-OE1 2.98Å
1358	S	36.8	Very low	33.8	Very low	116 Å²	116	88.3 Å²	88.3	81%	0.811	52%	0.518	S	S	*	.			trans	-84.9	35	177.5	58.7	0	0	0	0	112.5
1359	D	38.8	Very low	34.1	Very low	74 Å²	74	85.9 Å²	85.9	40%	0.396	49%	0.494	S	S	.	.			trans	-114.9	109.2	-157.2	-172	-9.1	0	0	0	112.5	T1357 S1361 Q1362	T1357-D1359 PolarHBondContact O-N 3.19Å; T1357-D1359 VanDerWaalsContact O-N 3.16Å; D1359-S1361 VanDerWaalsContact C-N 3.26Å; D1359-S1361 PolarHBondContact O-N 3.2Å; D1359-S1361 VanDerWaalsContact OD1-CB 3.22Å; D1359-S1361 WeakPolarHBondContact OD1-CB 3.29Å; D1359-S1361 PolarHBondContact OD1-N 3.46Å; D1359-S1361 PolarHBondContact OD1-OG 2.97Å; D1359-S1361 PolarHBondContact OD2-OG 3.15Å; D1359-S1361 VanDerWaalsContact OD2-OG 3.13Å; D1359-Q1362 HydrophobicContact CB-CG 4.5Å; D1359-Q1362 PolarHBondContact O-N 2.91Å
1360	L	41.2	Very low	34.4	Very low	26 Å²	26	87 Å²	87	14%	0.136	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-67.7	-20.8	176.7	-90.8	165.8	0	0	0	113.9	V1071 L1093 Q1362 L1363	V1071-L1360 HydrophobicContact CB-CD1 3.83Å; V1071-L1360 HydrophobicContact CG1-CD1 3.72Å; V1071-L1360 HydrophobicContact CG2-CD1 4.01Å; L1093-L1360 HydrophobicContact CD2-CD1 3.91Å; L1093-L1360 HydrophobicContact CD2-CD2 3.91Å; L1093-L1360 HydrophobicContact CD2-CG 3.68Å; L1360-Q1362 VanDerWaalsContact C-N 3.25Å; L1360-Q1362 PolarHBondContact O-N 3.35Å; L1360-L1363 HydrophobicContact CD2-CB 4.47Å; L1360-L1363 HydrophobicContact CD2-CD1 4.21Å; L1360-L1363 WeakPolarHBondContact O-CB 3.49Å; L1360-L1363 PolarHBondContact O-N 3.24Å; L1360-L1363 VanDerWaalsContact O-N 3.13Å
1361	S	38.2	Very low	34.6	Very low	77 Å²	77	84.2 Å²	84.2	54%	0.538	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-66.3	-30.9	179.9	74.3	0	0	0	0	111.9	D1359 L1363	D1359-S1361 VanDerWaalsContact C-N 3.26Å; D1359-S1361 PolarHBondContact O-N 3.2Å; D1359-S1361 VanDerWaalsContact OD1-CB 3.22Å; D1359-S1361 WeakPolarHBondContact OD1-CB 3.29Å; D1359-S1361 PolarHBondContact OD1-N 3.46Å; D1359-S1361 PolarHBondContact OD1-OG 2.97Å; D1359-S1361 PolarHBondContact OD2-OG 3.15Å; D1359-S1361 VanDerWaalsContact OD2-OG 3.13Å; S1361-L1363 VanDerWaalsContact C-N 3.28Å; S1361-L1363 PolarHBondContact O-N 2.95Å
1362	Q	38.6	Very low	34.8	Very low	96 Å²	96	79 Å²	79	45%	0.449	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-77.1	-12.8	176.2	-60.5	-169.8	-10	0	0	113.1	T1357 D1359 L1360 N1364	T1357-Q1362 PolarHBondContact OG1-OE1 2.98Å; D1359-Q1362 HydrophobicContact CB-CG 4.5Å; D1359-Q1362 PolarHBondContact O-N 2.91Å; L1360-Q1362 VanDerWaalsContact C-N 3.25Å; L1360-Q1362 PolarHBondContact O-N 3.35Å; Q1362-N1364 PolarHBondContact O-N 3.39Å
1363	L	39.2	Very low	34.9	Very low	48 Å²	48	74.1 Å²	74.1	25%	0.251	42%	0.418	S	S	.	.			trans	-82.3	59.2	178.8	-140.6	167.8	0	0	0	110.3	V1097 I1100 L1360 S1361 L1365	V1097-L1363 HydrophobicContact CG2-CD1 3.94Å; I1100-L1363 HydrophobicContact CD1-CD1 4.47Å; I1100-L1363 HydrophobicContact CD1-CD2 4.02Å; L1360-L1363 HydrophobicContact CD2-CB 4.47Å; L1360-L1363 HydrophobicContact CD2-CD1 4.21Å; L1360-L1363 WeakPolarHBondContact O-CB 3.49Å; L1360-L1363 PolarHBondContact O-N 3.24Å; L1360-L1363 VanDerWaalsContact O-N 3.13Å; S1361-L1363 VanDerWaalsContact C-N 3.28Å; S1361-L1363 PolarHBondContact O-N 2.95Å; L1363-L1365 HydrophobicContact CD2-CD1 4.01Å; L1363-L1365 PolarHBondContact O-N 3.4Å; L1363-L1365 VanDerWaalsContact O-N 3.15Å
1364	N	39.8	Very low	35.1	Very low	80 Å²	80	73.6 Å²	73.6	43%	0.428	42%	0.416	S	S	.	.			trans	-75	102.7	-174.7	-170.2	-1.1	0	0	0	111.6	Q1362 D1366 L1367	Q1362-N1364 PolarHBondContact O-N 3.39Å; N1364-D1366 PolarHBondContact O-N 2.9Å; N1364-D1366 WeakPolarHBondContact OD1-CB 3.49Å; N1364-D1366 PolarHBondContact OD1-N 2.95Å; N1364-D1366 PolarHBondContact OD1-OD2 3.27Å; N1364-L1367 PolarHBondContact O-N 3.31Å
1365	L	40	Very low	35.1	Very low	29 Å²	29	74 Å²	74	15%	0.152	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.1	175.6	-85.8	94.4	0	0	0	113.7	A1064 L1363 L1367 F1368 I1369	A1064-L1365 HydrophobicContact CB-CD1 3.67Å; A1064-L1365 HydrophobicContact CB-CD2 3.96Å; A1064-L1365 HydrophobicContact CB-CG 4.5Å; L1363-L1365 HydrophobicContact CD2-CD1 4.01Å; L1363-L1365 PolarHBondContact O-N 3.4Å; L1363-L1365 VanDerWaalsContact O-N 3.15Å; L1365-L1367 PolarHBondContact O-N 2.88Å; L1365-F1368 WeakPolarHBondContact O-CA 3.31Å; L1365-F1368 WeakPolarHBondContact O-CB 3.28Å; L1365-F1368 PolarHBondContact O-N 3.31Å; L1365-I1369 PolarHBondContact O-N 2.76Å
1366	D	35.9	Very low	35.2	Very low	61 Å²	61	74.9 Å²	74.9	33%	0.326	41%	0.407	S	S	.	.	H	α-helix	trans	-59.8	-39.8	175.4	-60.5	-19	0	0	0	110.8	R996 N1364 F1368 I1369 E1370	R996-D1366 IonicContact CZ-OD1 3.55Å; R996-D1366 IonicContact CZ-OD2 3.61Å; R996-D1366 IonicContact NE-OD1 2.77Å; R996-D1366 IonicContact NE-OD2 3.91Å; R996-D1366 IonicContact NH2-OD1 3.49Å; R996-D1366 PolarHBondContact NH2-OD1 3.3Å; R996-D1366 IonicContact NH2-OD2 2.75Å; N1364-D1366 PolarHBondContact O-N 2.9Å; N1364-D1366 WeakPolarHBondContact OD1-CB 3.49Å; N1364-D1366 PolarHBondContact OD1-N 2.95Å; N1364-D1366 PolarHBondContact OD1-OD2 3.27Å; D1366-F1368 PolarHBondContact O-N 3.39Å; D1366-I1369 PolarHBondContact O-N 3.22Å; D1366-E1370 WeakPolarHBondContact O-CG 3.49Å; D1366-E1370 PolarHBondContact O-N 3Å
1367	L	34.4	Very low	35.2	Very low	75 Å²	75	79.7 Å²	79.7	39%	0.393	41%	0.41	S	S	.	.	H	α-helix	trans	-64.9	-22.6	172.2	-81.2	163.6	0	0	0	113.5	N1364 L1365 Q1371	N1364-L1367 PolarHBondContact O-N 3.31Å; L1365-L1367 PolarHBondContact O-N 2.88Å; L1367-Q1371 WeakPolarHBondContact O-CB 3.33Å; L1367-Q1371 VanDerWaalsContact O-CG 3.32Å; L1367-Q1371 WeakPolarHBondContact O-CG 3.11Å; L1367-Q1371 PolarHBondContact O-N 3.33Å
1368	F	36.6	Very low	35.2	Very low	37 Å²	37	85.3 Å²	85.3	16%	0.162	43%	0.432	C	S	.	.	H	α-helix	trans	-75.3	-37.9	175.7	-135.2	-81.6	0	0	0	110.7	L1057 I1100 R1104 L1365 D1366 Y1372	L1057-F1368 HydrophobicContact CD2-CD1 4.09Å; L1057-F1368 HydrophobicContact CD2-CE1 3.65Å; I1100-F1368 HydrophobicContact CG2-CE2 3.92Å; R1104-F1368 HydrophobicContact CG-CE2 4.16Å; R1104-F1368 HydrophobicContact CG-CZ 4.12Å; L1365-F1368 WeakPolarHBondContact O-CA 3.31Å; L1365-F1368 WeakPolarHBondContact O-CB 3.28Å; L1365-F1368 PolarHBondContact O-N 3.31Å; D1366-F1368 PolarHBondContact O-N 3.39Å; F1368-Y1372 PolarHBondContact O-N 3.19Å; F1368-Y1372 VanDerWaalsContact O-N 3.16Å
1369	I	34	Very low	34.7	Very low	71 Å²	71	84.1 Å²	84.1	36%	0.364	42%	0.423	S	S	.	.	H	α-helix	trans	-70.6	-41.1	173.9	-62.5	170.2	0	0	0	110.1	L1365 D1366 Y1372 N1373	L1365-I1369 PolarHBondContact O-N 2.76Å; D1366-I1369 PolarHBondContact O-N 3.22Å; I1369-Y1372 PolarHBondContact O-N 3.03Å; I1369-N1373 PolarHBondContact O-N 3.06Å; I1369-N1373 PolarHBondContact O-ND2 2.95Å
1370	E	34	Very low	34	Very low	105 Å²	105	86.4 Å²	86.4	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-48.1	175.8	-71.4	175.5	168.8	0	0	112.2	D1366 Y1372 N1373 E1374	D1366-E1370 WeakPolarHBondContact O-CG 3.49Å; D1366-E1370 PolarHBondContact O-N 3Å; E1370-Y1372 VanDerWaalsContact C-N 3.29Å; E1370-Y1372 PolarHBondContact O-N 3.33Å; E1370-N1373 PolarHBondContact O-N 2.75Å; E1370-N1373 VanDerWaalsContact O-N 3.13Å; E1370-E1374 PolarHBondContact O-N 3.25Å
1371	Q	32.9	Very low	33.2	Very low	76 Å²	76	92.4 Å²	92.4	36%	0.355	48%	0.481	S	S	.	.	H	α-helix	trans	-61.5	-33.8	176	-77.7	-175.2	-23.5	0	0	113.2	L1367 N1373 E1374 C1375	L1367-Q1371 WeakPolarHBondContact O-CB 3.33Å; L1367-Q1371 VanDerWaalsContact O-CG 3.32Å; L1367-Q1371 WeakPolarHBondContact O-CG 3.11Å; L1367-Q1371 PolarHBondContact O-N 3.33Å; Q1371-N1373 VanDerWaalsContact C-N 3.27Å; Q1371-N1373 PolarHBondContact O-N 3.35Å; Q1371-E1374 PolarHBondContact O-N 3.01Å; Q1371-C1375 PolarHBondContact O-N 3.2Å
1372	Y	34.1	Very low	32.6	Very low	47 Å²	47	95 Å²	95	18%	0.184	49%	0.493	C	S	.	.	H	α-helix	trans	-65.8	-31.4	177.1	-164.8	-122.6	0	0	0	112.9	V1051 L1052 N1054 L1057 F1368 I1369 E1370 E1374 H1376	V1051-Y1372 HydrophobicContact CG1-CE2 3.88Å; L1052-Y1372 PolarHBondContact O-OH 3.2Å; L1052-Y1372 VanDerWaalsContact O-OH 3.08Å; N1054-Y1372 PolarHBondContact ND2-OH 3.18Å; N1054-Y1372 WeakPolarHBondContact OD1-CE1 3Å; N1054-Y1372 PolarHBondContact OD1-OH 3.3Å; L1057-Y1372 HydrophobicContact CD1-CD1 4.2Å; L1057-Y1372 HydrophobicContact CD1-CD2 3.46Å; L1057-Y1372 VanDerWaalsContact CD1-CD2 3.46Å; L1057-Y1372 HydrophobicContact CD1-CE1 3.89Å; L1057-Y1372 HydrophobicContact CD1-CE2 3.09Å; L1057-Y1372 HydrophobicContact CD1-CG 3.99Å; F1368-Y1372 PolarHBondContact O-N 3.19Å; F1368-Y1372 VanDerWaalsContact O-N 3.16Å; I1369-Y1372 PolarHBondContact O-N 3.03Å; E1370-Y1372 VanDerWaalsContact C-N 3.29Å; E1370-Y1372 PolarHBondContact O-N 3.33Å; Y1372-E1374 VanDerWaalsContact C-N 3.34Å; Y1372-H1376 AromaticContact CE1-CD2 3.79Å; Y1372-H1376 AromaticContact CE1-NE2 3.4Å; Y1372-H1376 WeakPolarHBondContact CE1-NE2 3.32Å; Y1372-H1376 AromaticContact CE2-CD2 3.77Å; Y1372-H1376 AromaticContact CE2-NE2 3.05Å; Y1372-H1376 WeakPolarHBondContact CE2-NE2 3.49Å; Y1372-H1376 AromaticContact CZ-CD2 3.49Å; Y1372-H1376 VanDerWaalsContact CZ-CD2 3.49Å; Y1372-H1376 AromaticContact CZ-NE2 2.52Å; Y1372-H1376 PolarHBondContact OH-NE2 3.32Å
1373	N	31.6	Very low	31.9	Very low	66 Å²	66	99.4 Å²	99.4	35%	0.353	51%	0.514	S	S	.	.	H	α-helix	trans	-75	-18.9	175.6	-74.2	-69	0	0	0	113.5	I1369 E1370 Q1371	I1369-N1373 PolarHBondContact O-N 3.06Å; I1369-N1373 PolarHBondContact O-ND2 2.95Å; E1370-N1373 PolarHBondContact O-N 2.75Å; E1370-N1373 VanDerWaalsContact O-N 3.13Å; Q1371-N1373 VanDerWaalsContact C-N 3.27Å; Q1371-N1373 PolarHBondContact O-N 3.35Å
1374	E	31.8	Very low	31.2	Very low	131 Å²	131	108.9 Å²	108.9	61%	0.612	55%	0.546	S	S	*	.	H	α-helix	trans	-75.5	-42.7	172.9	-66.4	-163	113.9	0	0	112.3	E1370 Q1371 Y1372	E1370-E1374 PolarHBondContact O-N 3.25Å; Q1371-E1374 PolarHBondContact O-N 3.01Å; Y1372-E1374 VanDerWaalsContact C-N 3.34Å
1375	C	30.2	Very low	30.4	Very low	74 Å²	74	111.2 Å²	111.2	50%	0.5	56%	0.563	S	S	.	*	H	α-helix	trans	-70.7	-35.1	-172.5	-80.5	0	0	0	0	115.2	V1051 Q1371 R1377	V1051-C1375 HydrophobicContact CG2-CB 4.27Å; Q1371-C1375 PolarHBondContact O-N 3.2Å; C1375-R1377 VanDerWaalsContact C-N 3.25Å; C1375-R1377 PolarHBondContact O-N 2.88Å
1376	H	32.3	Very low	30.1	Very low	121 Å²	121	114.5 Å²	114.5	56%	0.56	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	3.8	-171.3	-92	-53.9	0	0	0	115.7	Y1372	Y1372-H1376 AromaticContact CE1-CD2 3.79Å; Y1372-H1376 AromaticContact CE1-NE2 3.4Å; Y1372-H1376 WeakPolarHBondContact CE1-NE2 3.32Å; Y1372-H1376 AromaticContact CE2-CD2 3.77Å; Y1372-H1376 AromaticContact CE2-NE2 3.05Å; Y1372-H1376 WeakPolarHBondContact CE2-NE2 3.49Å; Y1372-H1376 AromaticContact CZ-CD2 3.49Å; Y1372-H1376 VanDerWaalsContact CZ-CD2 3.49Å; Y1372-H1376 AromaticContact CZ-NE2 2.52Å; Y1372-H1376 PolarHBondContact OH-NE2 3.32Å
1377	R	30.1	Very low	29.5	Very low	196 Å²	196	119.6 Å²	119.6	74%	0.74	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	0.4	-176.2	-83.2	-178.3	167.3	171.6	-2.9	115.9	C1375	C1375-R1377 VanDerWaalsContact C-N 3.25Å; C1375-R1377 PolarHBondContact O-N 2.88Å
1378	Q	28.6	Very low	29.1	Very low	186 Å²	186	122.4 Å²	122.4	87%	0.869	62%	0.62	S	S	*	*	S	Bend	trans	-123.8	-7.8	-169.7	-75.3	-164.4	-23	0	0	118.6
1379	S	26	Very low	28.5	Very low	90 Å²	90	130.1 Å²	130.1	63%	0.629	65%	0.648	S	S	*	*	S	Bend	trans	-149	137.1	-175.6	52.4	0	0	0	0	117.7
1380	C	25	Very low	28.2	Very low	122 Å²	122	132 Å²	132	82%	0.824	66%	0.659	S	S	*	*			trans	64.1	109	152.2	-63.9	0	0	0	0	121.3
1381	V	24.8	Very low	27.8	Very low	153 Å²	153	134 Å²	134	93%	0.927	67%	0.668	S	S	*	*			trans	-65.9	121	160.6	176.2	0	0	0	0	111.2
1382	V	24.3	Very low	27.4	Very low	130 Å²	130	135 Å²	135	79%	0.788	69%	0.689	S	S	*	*			trans	-145.3	155.2	166.5	-171.4	0	0	0	0	110.1
1383	E	24.2	Very low	27	Very low	189 Å²	189	138.6 Å²	138.6	88%	0.883	71%	0.71	S	S	*	*			trans	-76	162.8	-169.4	-60.9	170.7	114.1	0	0	115.6
1384	R	25.3	Very low	26.6	Very low	247 Å²	247	143 Å²	143	93%	0.932	72%	0.723	S	S	*	*			trans	-99	130.8	-173.8	-63.9	175.4	172.8	-175	-4.8	113.5
1385	V	23.1	Very low	26.2	Very low	129 Å²	129	139.6 Å²	139.6	78%	0.782	72%	0.718	S	S	*	*			trans	-143.6	137.2	160.2	-177	0	0	0	0	109.6
1386	P	33.1	Very low	25.9	Very low	98 Å²	98	141.4 Å²	141.4	64%	0.636	72%	0.719	S	S	*	*			trans	-105.3	168.5	-163.6	39.9	-37.4	0	0	0	116.5	R1601	P1386-R1601 PolarHBondContact O-NH2 3.21Å
1387	F	24.1	Very low	25.5	Very low	169 Å²	169	142.8 Å²	142.8	74%	0.741	74%	0.736	S	S	*	*			trans	-143.5	134.9	167.3	-103.2	-81	0	0	0	110.4	R1601	F1387-R1601 VanDerWaalsContact CD2-NH2 3.3Å
1388	I	25.7	Very low	25.2	Very low	133 Å²	133	137 Å²	137	68%	0.682	72%	0.717	S	S	*	*			trans	-146.5	125.5	170.3	-60.5	178.4	0	0	0	108.1	N1599	I1388-N1599 PolarHBondContact O-OD1 3.4Å
1389	W	24.5	Very low	25	Very low	199 Å²	199	135.4 Å²	135.4	75%	0.754	71%	0.714	S	S	*	*			trans	-137.3	148.9	162.4	-87.3	24.9	0	0	0	104.3	N1599	W1389-N1599 VanDerWaalsContact CD1-ND2 3.28Å
1390	D	27.1	Very low	25	Very low	111 Å²	111	136.1 Å²	136.1	59%	0.594	73%	0.725	S	S	*	*			cis	-148.1	148.9	3.7	-98	-36.7	0	0	0	110.9	N1599	D1390-N1599 PolarHBondContact OD1-ND2 3.34Å
1391	Q	25.4	Very low	25.2	Very low	148 Å²	148	134.7 Å²	134.7	69%	0.692	71%	0.709	S	S	*	*			trans	-151.1	111.6	161.3	-82.9	-163.9	-12.7	0	0	111.9
1392	A	24.9	Very low	25.3	Very low	96 Å²	96	136.3 Å²	136.3	79%	0.793	71%	0.706	S	S	*	*			trans	-159.7	157.4	164.6	0	0	0	0	0	107.2
1393	I	24.8	Very low	25.7	Very low	122 Å²	122	134.6 Å²	134.6	63%	0.626	70%	0.696	S	S	*	*			cis	-143.7	140.6	9.6	-38.9	159	0	0	0	105.6
1394	Y	24.1	Very low	26	Very low	158 Å²	158	128.1 Å²	128.1	62%	0.62	67%	0.672	S	S	*	*				168.2	169.3	102.3	-93	-67.3	0	0	0	111.4	R1320	R1320-Y1394 PolarHBondContact NH2-O 3.49Å
1395	A	23.7	Very low	26.4	Very low	61 Å²	61	123.3 Å²	123.3	50%	0.504	66%	0.663	S	S	.	*			trans	82.8	140.4	-159.4	0	0	0	0	0	113.7	R1320	R1320-A1395 PolarHBondContact NH2-O 3.1Å
1396	E	22.1	Very low	26.8	Very low	112 Å²	112	124.3 Å²	124.3	52%	0.523	66%	0.663	S	S	.	*			cis	-166.2	144.1	-3.8	-110.2	155	-171.1	0	0	108	L654	L654-E1396 VanDerWaalsContact CD1-CD 3.44Å; L654-E1396 HydrophobicContact CD1-CG 4.32Å; L654-E1396 WeakPolarHBondContact CD1-OE2 3.44Å; L654-E1396 HydrophobicContact CD2-CG 4.1Å; L654-E1396 WeakPolarHBondContact CD2-OE1 3.45Å
1397	V	24.7	Very low	26.9	Very low	150 Å²	150	128.1 Å²	128.1	91%	0.909	67%	0.672	S	S	*	*			trans	-148.2	136.6	164	180	0	0	0	0	110.9
1398	E	24.1	Very low	27.4	Very low	75 Å²	75	126.2 Å²	126.2	35%	0.35	67%	0.666	S	S	.	*			trans	-101.3	168.6	177.3	-54.1	169.1	87	0	0	114.1	R653	R653-E1398 WeakPolarHBondContact CA-OE1 3.31Å; R653-E1398 WeakPolarHBondContact CB-OE2 3.48Å; R653-E1398 WeakPolarHBondContact CD-OE2 3.44Å; R653-E1398 WeakPolarHBondContact CG-OE2 3.2Å; R653-E1398 IonicContact NE-OE2 2.77Å
1399	L	24	Very low	27.5	Very low	152 Å²	152	123.7 Å²	123.7	80%	0.796	67%	0.673	S	S	*	*			trans	23.4	95.4	135.2	-60.1	168.9	0	0	0	119.8
1400	A	25.6	Very low	27.8	Very low	105 Å²	105	121.4 Å²	121.4	87%	0.868	67%	0.674	S	S	*	*			trans	-169.6	133.9	130.1	0	0	0	0	0	107.5
1401	D	28.7	Very low	27.8	Very low	92 Å²	92	119.8 Å²	119.8	49%	0.492	68%	0.675	S	S	.	*				-154.1	128.2	65	166.7	34.5	0	0	0	110.2	T1403 S1404	D1401-T1403 WeakPolarHBondContact OD1-CA 3.44Å; D1401-T1403 WeakPolarHBondContact OD1-CB 3.24Å; D1401-T1403 PolarHBondContact OD1-N 2.88Å; D1401-T1403 PolarHBondContact OD1-OG1 2.96Å; D1401-S1404 WeakPolarHBondContact OD2-CB 3.4Å; D1401-S1404 PolarHBondContact OD2-N 3.05Å; D1401-S1404 PolarHBondContact OD2-OG 3.38Å
1402	H	28	Very low	27.9	Very low	187 Å²	187	118.6 Å²	118.6	87%	0.866	68%	0.678	S	S	*	*			trans	-100.6	5.3	179.6	-126	-78.9	0	0	0	113.1
1403	T	32.9	Very low	28	Very low	94 Å²	94	120.7 Å²	120.7	58%	0.577	68%	0.676	S	S	*	*	S	Bend	trans	-103.6	-28.8	-161.2	-21.1	0	0	0	0	113.3	D1401 I1405 L1406	D1401-T1403 WeakPolarHBondContact OD1-CA 3.44Å; D1401-T1403 WeakPolarHBondContact OD1-CB 3.24Å; D1401-T1403 PolarHBondContact OD1-N 2.88Å; D1401-T1403 PolarHBondContact OD1-OG1 2.96Å; T1403-I1405 PolarHBondContact O-N 3.25Å; T1403-I1405 VanDerWaalsContact O-N 3.12Å; T1403-L1406 PolarHBondContact O-N 3.44Å
1404	S	30.1	Very low	28	Very low	53 Å²	53	119.1 Å²	119.1	37%	0.371	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.2	12.9	-173.8	54.2	0	0	0	0	116.7	D1401	D1401-S1404 WeakPolarHBondContact OD2-CB 3.4Å; D1401-S1404 PolarHBondContact OD2-N 3.05Å; D1401-S1404 PolarHBondContact OD2-OG 3.38Å
1405	I	33.4	Very low	28.1	Very low	145 Å²	145	120.4 Å²	120.4	74%	0.744	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-23.2	174.6	-66.3	178.5	0	0	0	112	T1403	T1403-I1405 PolarHBondContact O-N 3.25Å; T1403-I1405 VanDerWaalsContact O-N 3.12Å
1406	L	32.9	Very low	28.2	Very low	151 Å²	151	122.4 Å²	122.4	79%	0.791	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-77.2	-19.4	-178.8	-74.4	163.1	0	0	0	113.9	T1403	T1403-L1406 PolarHBondContact O-N 3.44Å
1407	E	35.1	Very low	28.4	Very low	178 Å²	178	122.6 Å²	122.6	83%	0.832	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-90.7	3.8	-172.8	-61.5	-169.2	136	0	0	115.3
1408	Q	33.2	Very low	28.5	Very low	129 Å²	129	121.4 Å²	121.4	60%	0.603	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-107.3	6.7	-172.2	-57.9	-139.2	-85.8	0	0	116	I1410	Q1408-I1410 VanDerWaalsContact C-N 3.32Å; Q1408-I1410 PolarHBondContact O-N 2.76Å; Q1408-I1410 VanDerWaalsContact O-N 3.12Å
1409	G	28.5	Very low	28.6	Very low	80 Å²	80	125.8 Å²	125.8	83%	0.825	73%	0.725	S	S	*	*			trans	62.8	24.9	156.3	0	0	0	0	0	117.5
1410	I	30.9	Very low	28.7	Very low	151 Å²	151	129.7 Å²	129.7	77%	0.774	73%	0.729	S	S	*	*			trans	-93.8	111.5	171.4	-61	174.8	0	0	0	107.6	Q1408	Q1408-I1410 VanDerWaalsContact C-N 3.32Å; Q1408-I1410 PolarHBondContact O-N 2.76Å; Q1408-I1410 VanDerWaalsContact O-N 3.12Å
1411	A	26.3	Very low	28.7	Very low	76 Å²	76	133.9 Å²	133.9	63%	0.628	73%	0.73	S	S	*	*			trans	-64.8	136.2	-177.3	0	0	0	0	0	112
1412	V	28.7	Very low	28.8	Very low	124 Å²	124	137.1 Å²	137.1	75%	0.752	75%	0.747	S	S	*	*			trans	-122.9	45.1	169.2	-166.7	0	0	0	0	108.2	S1414	V1412-S1414 VanDerWaalsContact C-N 3.33Å; V1412-S1414 PolarHBondContact O-N 2.9Å; V1412-S1414 VanDerWaalsContact O-N 3.07Å
1413	D	25.4	Very low	28.8	Very low	140 Å²	140	132.8 Å²	132.8	75%	0.749	74%	0.737	S	S	*	*			trans	-85.7	73.5	-176.3	-65.1	-47.6	0	0	0	111
1414	S	24.7	Very low	28.5	Very low	88 Å²	88	135.4 Å²	135.4	62%	0.615	75%	0.748	S	S	*	*	S	Bend	trans	-160.4	147.4	153.8	34.6	0	0	0	0	109.4	V1412	V1412-S1414 VanDerWaalsContact C-N 3.33Å; V1412-S1414 PolarHBondContact O-N 2.9Å; V1412-S1414 VanDerWaalsContact O-N 3.07Å
1415	F	26.9	Very low	28.4	Very low	185 Å²	185	142 Å²	142	81%	0.811	77%	0.77	S	S	*	*	S	Bend	trans	70.2	46.1	-169.3	-53.4	-77.8	0	0	0	116.6	M1489	F1415-M1489 HydrophobicContact CE1-CE 3.95Å; F1415-M1489 HydrophobicContact CZ-CE 4.24Å
1416	S	26	Very low	28	Very low	103 Å²	103	140 Å²	140	72%	0.72	77%	0.769	S	S	*	*			trans	-144.6	101.7	152.4	60	0	0	0	0	111.3
1417	S	25.9	Very low	27.7	Very low	116 Å²	116	138.2 Å²	138.2	81%	0.811	76%	0.764	S	S	*	*			trans	-100.4	125.9	162.2	-169.3	0	0	0	0	107.8	E1419	S1417-E1419 PolarHBondContact O-N 2.68Å
1418	P	27.3	Very low	27.3	Very low	125 Å²	125	137.4 Å²	137.4	81%	0.812	76%	0.76	S	S	*	*			trans	-102.6	75	-165.1	38.9	-36.1	0	0	0	114.6
1419	E	27.1	Very low	26.9	Very low	167 Å²	167	137.3 Å²	137.3	78%	0.78	76%	0.763	S	S	*	*			trans	-129.5	136.5	152.8	-60.6	-175.8	177.2	0	0	105.1	S1417	S1417-E1419 PolarHBondContact O-N 2.68Å
1420	W	25.6	Very low	26.9	Very low	235 Å²	235	145 Å²	145	89%	0.89	77%	0.769	S	S	*	*			cis	-139.3	133.3	41.8	-80	57.4	0	0	0	112.9
1421	H	25.5	Very low	26.8	Very low	192 Å²	192	145.6 Å²	145.6	89%	0.889	77%	0.769	S	S	*	*			trans	-126.9	115.5	157.2	-85.9	-57.6	0	0	0	108.3
1422	L	29.5	Very low	27	Very low	161 Å²	161	149.3 Å²	149.3	84%	0.843	78%	0.778	S	S	*	*			trans	-172.1	122.2	148	-107.3	162.7	0	0	0	113.4
1423	S	28.3	Very low	26.9	Very low	95 Å²	95	152.3 Å²	152.3	66%	0.664	78%	0.783	S	S	*	*			trans	40.4	135	145.4	61.7	0	0	0	0	122.8	K1425	S1423-K1425 PolarHBondContact O-N 2.92Å
1424	D	26.1	Very low	27.2	Very low	150 Å²	150	150.7 Å²	150.7	80%	0.802	78%	0.783	S	S	*	*			trans	-40.9	130.8	152.6	-54	-88.6	0	0	0	114.2
1425	K	29.4	Very low	27.4	Very low	190 Å²	190	152.5 Å²	152.5	83%	0.826	80%	0.795	S	S	*	*				172.9	103.7	124.1	-93	157.7	-175.5	171.9	0	114.7	S1423	S1423-K1425 PolarHBondContact O-N 2.92Å
1426	S	25.3	Very low	27.5	Very low	104 Å²	104	147.4 Å²	147.4	73%	0.727	80%	0.795	S	S	*	*			trans	62.3	172.6	135.6	67.2	0	0	0	0	121.1
1427	V	26.4	Very low	27.8	Very low	113 Å²	113	150.7 Å²	150.7	69%	0.685	81%	0.805	S	S	*	*			trans	66.9	94.2	166.6	-175	0	0	0	0	114.4
1428	Q	25.9	Very low	28	Very low	162 Å²	162	148.7 Å²	148.7	76%	0.757	80%	0.803	S	S	*	*				81.8	131.3	77.6	-78.4	177.7	-35.4	0	0	115.9
1429	L	25.7	Very low	28.2	Very low	127 Å²	127	151.1 Å²	151.1	67%	0.665	80%	0.803	S	S	*	*			trans	51.9	107.6	144.4	-63.4	165.9	0	0	0	119.2	Q1431	L1429-Q1431 HydrophobicContact CD2-CG 4.49Å
1430	Y	27.6	Very low	28.5	Very low	241 Å²	241	149.7 Å²	149.7	95%	0.945	80%	0.799	S	S	*	*			trans	-90.6	114.3	137	-89.4	-90	0	0	0	109.1
1431	Q	28.7	Very low	28.8	Very low	164 Å²	164	143.1 Å²	143.1	77%	0.766	79%	0.789	S	S	*	*			trans	-119.6	150.3	156	-82.8	-169.3	-78	0	0	107.7	L1429	L1429-Q1431 HydrophobicContact CD2-CG 4.49Å
1432	D	30.4	Very low	29.2	Very low	153 Å²	153	139.8 Å²	139.8	82%	0.818	78%	0.778	S	S	*	*			trans	-63.3	149.9	-173.2	-78.8	-67.4	0	0	0	115.1
1433	H	28.1	Very low	29.4	Very low	187 Å²	187	139.9 Å²	139.9	87%	0.866	78%	0.775	S	S	*	*			trans	-35.5	124.5	175.2	-60	-87.1	0	0	0	116.7
1434	S	30.5	Very low	29.6	Very low	107 Å²	107	142 Å²	142	75%	0.748	78%	0.778	S	S	*	*			trans	-150.9	95.9	147.8	58.6	0	0	0	0	113
1435	S	28.8	Very low	29.9	Very low	125 Å²	125	143.3 Å²	143.3	87%	0.874	78%	0.777	S	S	*	*			trans	36.4	119.7	147.6	59.9	0	0	0	0	121.2
1436	G	30.1	Very low	30.1	Very low	79 Å²	79	140.8 Å²	140.8	81%	0.814	77%	0.766	S	S	*	*			trans	-178.6	95.6	164.9	0	0	0	0	0	115.4
1437	N	30.8	Very low	30.6	Very low	171 Å²	171	143.5 Å²	143.5	91%	0.914	77%	0.767	S	S	*	*			trans	-62.2	149.1	-171.8	-62.1	-18.6	0	0	0	117.5
1438	G	30.9	Very low	31	Very low	75 Å²	75	141.3 Å²	141.3	77%	0.773	77%	0.767	S	S	*	*			trans	103.7	152.4	144.6	0	0	0	0	0	117.5
1439	E	32.3	Very low	31.3	Very low	175 Å²	175	144.9 Å²	144.9	82%	0.818	77%	0.774	S	S	*	*			cis	-166.8	171.1	-16.9	-149.6	176.1	-141.4	0	0	109.4
1440	I	32.4	Very low	31.8	Very low	137 Å²	137	147.3 Å²	147.3	70%	0.703	78%	0.782	S	S	*	*			trans	67.8	99	164.4	-55.7	161.4	0	0	0	115.2
1441	S	32.5	Very low	32	Very low	97 Å²	97	139.5 Å²	139.5	68%	0.678	78%	0.775	S	S	*	*				68	149.4	80.8	96.3	0	0	0	0	115.7
1442	N	33.5	Very low	32.3	Very low	123 Å²	123	139.1 Å²	139.1	66%	0.658	77%	0.771	S	S	*	*			cis	-166.8	166.1	19.2	-143.8	-34.3	0	0	0	113.7
1443	Q	33.2	Very low	32.4	Very low	163 Å²	163	137.3 Å²	137.3	76%	0.762	77%	0.769	S	S	*	*			trans	67.2	159.3	160.2	-59.8	173.2	19.6	0	0	120.6
1444	N	32.3	Very low	32.7	Very low	138 Å²	138	136 Å²	136	74%	0.738	77%	0.767	S	S	*	*			cis	179.9	178.4	-49.6	-110	-31.2	0	0	0	110.5
1445	F	32.2	Very low	32.8	Very low	178 Å²	178	135.8 Å²	135.8	78%	0.781	77%	0.766	S	S	*	*			trans	88.2	136.7	171.6	-72	-112	0	0	0	117.9
1446	K	34.3	Very low	33.1	Very low	137 Å²	137	139.2 Å²	139.2	60%	0.596	77%	0.768	S	S	*	*			cis	-168.4	142.1	-17.5	-125.8	-163.9	-177.7	-132.3	0	113.2
1447	E	35.9	Very low	33.4	Very low	161 Å²	161	139 Å²	139	75%	0.752	76%	0.759	S	S	*	*			trans	46.9	142.6	144.4	-71.6	157.5	-159	0	0	123
1448	G	34.5	Very low	33.5	Very low	67 Å²	67	137.7 Å²	137.7	69%	0.691	75%	0.747	S	S	*	*			cis	159.9	-177.7	-5.8	0	0	0	0	0	115.4
1449	R	33.7	Very low	33.6	Very low	237 Å²	237	143.7 Å²	143.7	89%	0.894	75%	0.746	S	S	*	*			trans	75.6	158.3	169.3	-65.9	-177.8	173.6	166.3	0.3	120.2
1450	E	34.4	Very low	33.6	Very low	178 Å²	178	139.8 Å²	139.8	83%	0.832	74%	0.738	S	S	*	*			cis	-178.1	152.1	-46	-115.1	-176.4	141.4	0	0	111.2
1451	G	33.2	Very low	33.5	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	74%	0.743	S	S	*	*			trans	168.2	134.2	170.6	0	0	0	0	0	114.5
1452	K	33.5	Very low	33.3	Very low	157 Å²	157	139.7 Å²	139.7	68%	0.683	75%	0.749	S	S	*	*			trans	-158.6	152.6	-164.6	-153.7	177.7	174.7	-177.1	0	112.4
1453	C	32.9	Very low	33.6	Very low	115 Å²	115	139.3 Å²	139.3	78%	0.777	75%	0.753	S	S	*	*			trans	150.8	152.2	152	-83.3	0	0	0	0	112.8
1454	L	33.9	Very low	33.7	Very low	158 Å²	158	137.2 Å²	137.2	83%	0.827	76%	0.757	S	S	*	*			cis	-162.4	-177.1	-23.8	-117.7	175.5	0	0	0	110.3
1455	S	34.1	Very low	33.7	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	76%	0.76	S	S	*	*			trans	-155.7	160.8	-163.7	59.7	0	0	0	0	115.7
1456	E	34.4	Very low	33.6	Very low	197 Å²	197	131 Å²	131	92%	0.921	76%	0.757	S	S	*	*			trans	-163.1	161.9	168.5	-95.2	177.2	-128.3	0	0	110.5
1457	A	36.1	Very low	33.4	Very low	76 Å²	76	131.2 Å²	131.2	63%	0.628	77%	0.765	S	S	*	*			cis	-167.5	152.5	-31	0	0	0	0	0	113.3
1458	E	33.2	Very low	33	Very low	143 Å²	143	129.2 Å²	129.2	67%	0.668	76%	0.763	S	S	*	*			trans	60.9	178.8	150.6	-68.6	-158.7	112.8	0	0	119.9
1459	R	34	Very low	32.6	Very low	200 Å²	200	134.1 Å²	134.1	76%	0.755	77%	0.768	S	S	*	*			cis	-162.9	-175.8	-10.5	-117	170.5	-158.8	166.2	20.1	106.9
1460	S	31.8	Very low	32.5	Very low	93 Å²	93	128.1 Å²	128.1	65%	0.65	76%	0.762	S	S	*	*			cis	-178.9	158.1	-46.1	54.6	0	0	0	0	109.4
1461	C	29.3	Very low	32.2	Very low	118 Å²	118	125.3 Å²	125.3	80%	0.797	76%	0.76	S	S	*	*			cis	-176.3	173.5	-18.7	-91.8	0	0	0	0	110
1462	S	29.8	Very low	32.1	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	76%	0.763	S	S	*	*			trans	79.7	160.5	159.3	82.2	0	0	0	0	120.9
1463	P	38.3	Very low	31.9	Very low	115 Å²	115	132 Å²	132	75%	0.747	77%	0.767	S	S	*	*			cis	-143.8	152.2	-45.4	37.3	-20.3	0	0	0	116.9
1464	S	36.1	Very low	31.6	Very low	119 Å²	119	134.6 Å²	134.6	83%	0.832	77%	0.765	S	S	*	*			trans	172.4	135.4	135.1	61.8	0	0	0	0	115.8
1465	A	32	Very low	31.2	Very low	97 Å²	97	132.4 Å²	132.4	80%	0.802	76%	0.763	S	S	*	*			trans	64.4	107.1	153.3	0	0	0	0	0	121.8
1466	A	30.8	Very low	30.9	Very low	87 Å²	87	131.3 Å²	131.3	72%	0.719	77%	0.768	S	S	*	*	S	Bend	trans	46.9	125.7	146	0	0	0	0	0	121
1467	D	30.1	Very low	30.4	Very low	143 Å²	143	127.6 Å²	127.6	77%	0.765	75%	0.75	S	S	*	*			cis	-142.2	119.1	-7.2	-89.1	-37.2	0	0	0	107.7
1468	V	27.5	Very low	29.9	Very low	118 Å²	118	129.9 Å²	129.9	72%	0.715	76%	0.757	S	S	*	*				72.5	115.4	96.1	170.1	0	0	0	0	113.2
1469	E	25.5	Very low	29.6	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	77%	0.765	S	S	*	*			cis	-165.2	164.5	-18.1	-133.2	162.4	-154.6	0	0	110.7
1470	S	31.1	Very low	29.3	Very low	110 Å²	110	126.8 Å²	126.8	77%	0.769	76%	0.762	S	S	*	*			trans	-145.3	139.1	161	66.3	0	0	0	0	110.4
1471	P	29.6	Very low	29.1	Very low	120 Å²	120	127.3 Å²	127.3	78%	0.779	77%	0.766	S	S	*	*			trans	-136.8	116.7	157.5	29.4	-10.9	0	0	0	114.7
1472	R	29.6	Very low	28.9	Very low	229 Å²	229	129.3 Å²	129.3	86%	0.864	77%	0.769	S	S	*	*			trans	-26.8	147.8	151.4	-48.3	161.5	176.8	-172.4	-4	115.4
1473	L	29.5	Very low	28.8	Very low	146 Å²	146	131.8 Å²	131.8	76%	0.764	77%	0.773	S	S	*	*				169.7	163.2	106.4	-95.3	166	0	0	0	115.7
1474	F	26.8	Very low	28.1	Very low	169 Å²	169	135 Å²	135	74%	0.741	78%	0.778	S	S	*	*			trans	63.9	103	159.8	-75.7	-65.7	0	0	0	122.7
1475	S	25.4	Very low	27.5	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	77%	0.772	S	S	*	*				34.5	118.4	129.5	63.8	0	0	0	0	121.5
1476	G	27.7	Very low	27.1	Very low	80 Å²	80	135.3 Å²	135.3	83%	0.825	77%	0.773	S	S	*	*			trans	-170.7	121.4	163.6	0	0	0	0	0	114
1477	Q	24	Very low	26.7	Very low	118 Å²	118	136.3 Å²	136.3	55%	0.551	78%	0.775	S	S	*	*			trans	-51.6	158.6	179.5	-88.1	168	-75.4	0	0	117.4
1478	T	26.9	Very low	26.4	Very low	124 Å²	124	133.4 Å²	133.4	76%	0.761	77%	0.766	S	S	*	*			trans	66.3	142.8	147.4	51.4	0	0	0	0	119.3
1479	M	25.3	Very low	26.2	Very low	172 Å²	172	133.1 Å²	133.1	85%	0.847	76%	0.758	S	S	*	*			cis	-165.3	167.9	-26	-108.8	-112.6	137.9	0	0	107.4
1480	P	28.9	Very low	26	Very low	107 Å²	107	127.7 Å²	127.7	70%	0.695	74%	0.739	S	S	*	*			trans	-108.1	173.5	-132.9	41.1	-41.1	0	0	0	116.7
1481	S	26.9	Very low	25.8	Very low	103 Å²	103	124.9 Å²	124.9	72%	0.72	71%	0.714	S	S	*	*			trans	-154.1	105.5	154	58.7	0	0	0	0	111.4
1482	D	25.4	Very low	25.6	Very low	160 Å²	160	120 Å²	120	86%	0.856	68%	0.683	S	S	*	*			trans	59.2	66.3	145.9	-49.5	-13.2	0	0	0	120.2
1483	D	26.6	Very low	25.6	Very low	168 Å²	168	111.6 Å²	111.6	90%	0.898	65%	0.653	S	S	*	*			trans	-116.1	68.4	166.2	-133.5	-17.7	0	0	0	110.5
1484	E	23.6	Very low	25.3	Very low	183 Å²	183	110.7 Å²	110.7	86%	0.855	65%	0.645	S	S	*	*			trans	-132.2	85.3	174	-79.5	-155.7	167.1	0	0	112.9
1485	C	24.2	Very low	25.2	Very low	103 Å²	103	104.6 Å²	104.6	70%	0.696	62%	0.623	S	S	*	*			trans	-149.3	25	161.9	-121.5	0	0	0	0	115.9
1486	S	23.7	Very low	25.3	Very low	118 Å²	118	104 Å²	104	83%	0.825	62%	0.618	S	S	*	*	S	Bend	trans	-123.9	23.4	-178.3	64.1	0	0	0	0	114.7
1487	S	22	Very low	25.1	Very low	109 Å²	109	105.4 Å²	105.4	76%	0.762	61%	0.614	S	S	*	*			trans	-157.5	63.7	179	58.4	0	0	0	0	114
1488	S	23.4	Very low	25.2	Very low	82 Å²	82	106.8 Å²	106.8	57%	0.573	63%	0.631	S	S	*	*			trans	-138.8	99.6	171.7	66.9	0	0	0	0	113.1
1489	M	23.5	Very low	25.2	Very low	111 Å²	111	107.2 Å²	107.2	55%	0.547	63%	0.634	S	S	.	*			trans	57.6	109	158.1	-59.2	179.4	-170.5	0	0	117.8	F1415 M1491	F1415-M1489 HydrophobicContact CE1-CE 3.95Å; F1415-M1489 HydrophobicContact CZ-CE 4.24Å; M1489-M1491 HydrophobicContact CB-CG 4.5Å; M1489-M1491 PolarHBondContact O-N 2.69Å
1490	S	22.7	Very low	25.2	Very low	58 Å²	58	104.4 Å²	104.4	41%	0.406	63%	0.629	S	S	.	*				-53.6	125.3	120.2	52.6	0	0	0	0	107.6	W501 S1492	W501-S1490 PolarHBondContact NE1-OG 3.35Å; S1490-S1492 PolarHBondContact O-N 3.16Å; S1490-S1492 PolarHBondContact O-OG 3.43Å; S1490-S1492 VanDerWaalsContact O-OG 3.11Å; S1490-S1492 PolarHBondContact OG-OG 3.5Å
1491	M	25.9	Very low	25.1	Very low	51 Å²	51	107.7 Å²	107.7	25%	0.251	64%	0.639	S	S	.	*			trans	-75.9	54.7	162	-81.2	-147.1	-60.6	0	0	110.4	V571 M1489	V571-M1491 HydrophobicContact CG1-CE 3.62Å; V571-M1491 HydrophobicContact CG1-CG 4.26Å; V571-M1491 HydrophobicContact CG1-SD 3.31Å; V571-M1491 WeakPolarHBondContact CG1-SD 3.16Å; M1489-M1491 HydrophobicContact CB-CG 4.5Å; M1489-M1491 PolarHBondContact O-N 2.69Å
1492	S	25.2	Very low	24.9	Very low	16 Å²	16	113 Å²	113	11%	0.112	65%	0.645	C	S	.	*			trans	-71.4	141.1	170.7	48.8	0	0	0	0	110.7	W501 S1490 Q1494	W501-S1492 VanDerWaalsContact CD1-CB 3.48Å; W501-S1492 VanDerWaalsContact CZ2-CB 3.47Å; W501-S1492 PolarHBondContact NE1-OG 3.16Å; S1490-S1492 PolarHBondContact O-N 3.16Å; S1490-S1492 PolarHBondContact O-OG 3.43Å; S1490-S1492 VanDerWaalsContact O-OG 3.11Å; S1490-S1492 PolarHBondContact OG-OG 3.5Å; S1492-Q1494 PolarHBondContact O-N 3.4Å
1493	F	29.7	Very low	25.2	Very low	54 Å²	54	110.2 Å²	110.2	24%	0.237	64%	0.636	C	S	.	*				9.4	57.2	124.9	-56.4	-77.7	0	0	0	118.9	W233 V455 E493 W501 S1495	W233-F1493 AromaticContact CE2-CE1 3.6Å; W233-F1493 AromaticContact CE2-CZ 3.9Å; W233-F1493 HydrophobicContact CH2-CE1 4.46Å; W233-F1493 HydrophobicContact CZ2-CD1 4.4Å; W233-F1493 AromaticContact CZ2-CE1 3.45Å; W233-F1493 HydrophobicContact CZ2-CE1 3.45Å; W233-F1493 VanDerWaalsContact CZ2-CE1 3.45Å; W233-F1493 AromaticContact CZ2-CZ 3.67Å; W233-F1493 HydrophobicContact CZ2-CZ 3.67Å; W233-F1493 AromaticContact NE1-CE1 3.53Å; W233-F1493 AromaticContact NE1-CZ 3.63Å; V455-F1493 HydrophobicContact CB-CD1 4.47Å; V455-F1493 HydrophobicContact CB-CD2 4.46Å; V455-F1493 HydrophobicContact CB-CG 4.42Å; V455-F1493 HydrophobicContact CG1-CB 3.7Å; V455-F1493 HydrophobicContact CG1-CD1 3.84Å; V455-F1493 HydrophobicContact CG1-CD2 3.63Å; V455-F1493 HydrophobicContact CG1-CE1 4.39Å; V455-F1493 HydrophobicContact CG1-CE2 4.2Å; V455-F1493 HydrophobicContact CG1-CG 3.44Å; V455-F1493 VanDerWaalsContact CG1-CG 3.44Å; V455-F1493 HydrophobicContact CG2-CD2 4.05Å; V455-F1493 HydrophobicContact CG2-CE1 4.27Å; V455-F1493 HydrophobicContact CG2-CE2 3.77Å; V455-F1493 HydrophobicContact CG2-CG 4.44Å; V455-F1493 HydrophobicContact CG2-CZ 3.9Å; E493-F1493 WeakPolarHBondContact OE2-CE2 3.43Å; W501-F1493 HydrophobicContact CE3-CB 4.23Å; W501-F1493 HydrophobicContact CE3-CD2 4.38Å; W501-F1493 HydrophobicContact CH2-CD2 4.34Å; W501-F1493 AromaticContact CZ3-CD2 3.91Å; W501-F1493 HydrophobicContact CZ3-CD2 3.91Å; F1493-S1495 PolarHBondContact O-N 3.29Å; F1493-S1495 VanDerWaalsContact O-N 3.15Å
1494	Q	24.2	Very low	25.2	Very low	127 Å²	127	112.4 Å²	112.4	59%	0.593	63%	0.631	S	S	*	*			trans	-85.5	78.1	169.8	-77.9	-164.7	-25.8	0	0	110.1	L212 S1492 S1496	L212-Q1494 VanDerWaalsContact CD2-O 3.3Å; L212-Q1494 WeakPolarHBondContact CD2-O 3.39Å; L212-Q1494 WeakPolarHBondContact CG-O 3.16Å; S1492-Q1494 PolarHBondContact O-N 3.4Å; Q1494-S1496 PolarHBondContact O-N 2.88Å
1495	S	24.5	Very low	25.4	Very low	41 Å²	41	107.3 Å²	107.3	29%	0.287	62%	0.616	S	S	.	*			trans	-70	106.5	162.7	57.7	0	0	0	0	109.6	P208 F1493	P208-S1495 WeakPolarHBondContact CB-OG 3.41Å; F1493-S1495 PolarHBondContact O-N 3.29Å; F1493-S1495 VanDerWaalsContact O-N 3.15Å
1496	S	27.3	Very low	25.7	Very low	98 Å²	98	110.3 Å²	110.3	69%	0.685	62%	0.62	S	S	*	*			trans	-134.5	140.4	175.8	58.7	0	0	0	0	111.6	Q1494	Q1494-S1496 PolarHBondContact O-N 2.88Å
1497	C	24.1	Very low	25.7	Very low	110 Å²	110	109.5 Å²	109.5	74%	0.743	61%	0.614	S	S	*	*			trans	-107.3	151.5	-156.9	-53	0	0	0	0	115.4
1498	T	26.1	Very low	26.1	Very low	147 Å²	147	113.5 Å²	113.5	90%	0.902	62%	0.618	S	S	*	*			trans	-158.7	158.7	142.2	11.9	0	0	0	0	110
1499	T	26.1	Very low	26.3	Very low	134 Å²	134	116.5 Å²	116.5	82%	0.822	63%	0.626	S	S	*	*			trans	-109.7	143.1	-154	-43.9	0	0	0	0	113.4
1500	P	25.9	Very low	26.3	Very low	113 Å²	113	122.6 Å²	122.6	73%	0.734	64%	0.643	S	S	*	*			trans	-97.8	170.9	-167.6	38.2	-38.3	0	0	0	116
1501	L	24.9	Very low	26.4	Very low	176 Å²	176	128.7 Å²	128.7	92%	0.921	66%	0.663	S	S	*	*			trans	-127.5	130.1	168.9	-89.1	167.6	0	0	0	112.5
1502	Y	24.2	Very low	26.4	Very low	214 Å²	214	135 Å²	135	84%	0.839	69%	0.689	S	S	*	*			trans	-128.1	155	171	-110.2	-63.9	0	0	0	107
1503	P	31.2	Very low	26.3	Very low	102 Å²	102	144.4 Å²	144.4	66%	0.662	73%	0.728	S	S	*	*				-161.8	176.2	84.6	42.5	-21.5	0	0	0	119.5
1504	R	26.5	Very low	26	Very low	213 Å²	213	145.2 Å²	145.2	80%	0.804	75%	0.752	S	S	*	*			trans	84.9	111.5	139.8	-87.5	162.7	-167.3	-172.9	3.4	122.6	R1562	R1504-R1562 PolarHBondContact O-NH1 2.64Å
1505	S	27.1	Very low	26	Very low	77 Å²	77	148.2 Å²	148.2	54%	0.538	77%	0.766	S	S	.	*				41.8	128.6	122.7	63.1	0	0	0	0	122.4
1506	H	30.4	Very low	26	Very low	166 Å²	166	151.7 Å²	151.7	77%	0.769	79%	0.79	S	S	*	*				-163.2	168	95.2	-116.4	-84.5	0	0	0	112.3
1507	S	25.4	Very low	25.8	Very low	100 Å²	100	156.1 Å²	156.1	70%	0.699	80%	0.797	S	S	*	*			trans	-127.4	157	-171.4	57.3	0	0	0	0	113.3
1508	K	30.6	Very low	25.9	Very low	194 Å²	194	158.5 Å²	158.5	84%	0.843	80%	0.803	S	S	*	*			trans	-172.9	128.4	146.7	-108	162.1	-174.4	177.1	0	114.7
1509	L	25.7	Very low	25.9	Very low	145 Å²	145	157.9 Å²	157.9	76%	0.759	79%	0.788	S	S	*	*			trans	33.3	115	143.2	-58.5	168.6	0	0	0	119.2
1510	R	23.5	Very low	25.9	Very low	238 Å²	238	157.7 Å²	157.7	90%	0.898	79%	0.789	S	S	*	*				48.5	104.7	81.6	-81.3	-166.9	174.9	-171.5	0.1	115.1
1511	K	26.1	Very low	26.2	Very low	187 Å²	187	161 Å²	161	81%	0.813	79%	0.794	S	S	*	*			trans	-165.4	146.6	143.4	-124.2	179	179.7	-174.8	0	112.9
1512	F	25.4	Very low	26.4	Very low	184 Å²	184	155.6 Å²	155.6	81%	0.807	78%	0.775	S	S	*	*			trans	60.7	128.9	169.4	-73.8	-85.4	0	0	0	119.9
1513	F	23.6	Very low	26.8	Very low	213 Å²	213	155.1 Å²	155.1	93%	0.934	77%	0.772	S	S	*	*			trans	-80.8	150.9	150.3	-71.2	-107.5	0	0	0	108.3
1514	G	23.2	Very low	27.1	Very low	71 Å²	71	153.7 Å²	153.7	73%	0.732	75%	0.753	S	S	*	*			trans	145.7	111	163.6	0	0	0	0	0	115.3
1515	E	24.7	Very low	27.5	Very low	189 Å²	189	149.6 Å²	149.6	88%	0.883	74%	0.739	S	S	*	*			trans	65.5	157	148.7	-61.4	177.8	175	0	0	121.5
1516	S	24.9	Very low	27.9	Very low	114 Å²	114	153 Å²	153	80%	0.797	74%	0.744	S	S	*	*			trans	61.7	128.2	172.4	40.2	0	0	0	0	119.5
1517	F	23	Very low	28.1	Very low	191 Å²	191	148.6 Å²	148.6	84%	0.838	72%	0.724	S	S	*	*			trans	-68.6	140.1	156.3	-74.4	-114.5	0	0	0	109	F1519	F1517-F1519 HydrophobicContact CD1-CE2 4.48Å
1518	D	25.9	Very low	28.3	Very low	161 Å²	161	148.9 Å²	148.9	86%	0.861	73%	0.733	S	S	*	*			trans	-143	126.5	171.3	-143.5	0	0	0	0	109.1
1519	F	25	Very low	28.3	Very low	133 Å²	133	146.2 Å²	146.2	58%	0.583	72%	0.721	S	S	*	*			trans	-96.7	150.3	-171.6	-79.2	-102	0	0	0	111.8	F1517 E1521	F1517-F1519 HydrophobicContact CD1-CE2 4.48Å; F1519-E1521 PolarHBondContact O-N 3.02Å; F1519-E1521 VanDerWaalsContact O-N 3.09Å
1520	P	26.4	Very low	28.5	Very low	131 Å²	131	147.4 Å²	147.4	85%	0.851	73%	0.728	S	S	*	*			trans	-84.4	83	-173	34	-36	0	0	0	113.2
1521	E	31.6	Very low	28.6	Very low	181 Å²	181	141.7 Å²	141.7	85%	0.846	72%	0.723	S	S	*	*			trans	-113.3	161.3	176.1	-64	-162.5	164	0	0	114.7	F1519	F1519-E1521 PolarHBondContact O-N 3.02Å; F1519-E1521 VanDerWaalsContact O-N 3.09Å
1522	A	29.8	Very low	28.7	Very low	63 Å²	63	138.4 Å²	138.4	52%	0.521	72%	0.724	S	S	.	*			trans	-81.8	138.4	-159.9	0	0	0	0	0	115.2
1523	R	31.8	Very low	28.8	Very low	205 Å²	205	134.1 Å²	134.1	77%	0.774	72%	0.722	S	S	*	*			trans	-87.7	131.9	174.4	-67	-176.5	178.7	-180	-0.3	112.2
1524	W	38.3	Very low	29.1	Very low	71 Å²	71	129.5 Å²	129.5	27%	0.269	71%	0.714	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.4	151	178.3	-65.7	84.9	0	0	0	111.5	F1526 A1551 Q1553 R1571 V1582	W1524-F1526 HydrophobicContact CB-CE2 4.3Å; W1524-A1551 HydrophobicContact CE3-CB 4.4Å; W1524-Q1553 HydrophobicContact CE3-CB 4.17Å; W1524-Q1553 HydrophobicContact CE3-CG 4.45Å; W1524-Q1553 HydrophobicContact CH2-CB 4.23Å; W1524-Q1553 HydrophobicContact CH2-CG 3.94Å; W1524-Q1553 HydrophobicContact CZ2-CG 4.36Å; W1524-Q1553 HydrophobicContact CZ3-CB 3.78Å; W1524-Q1553 HydrophobicContact CZ3-CG 3.99Å; W1524-R1571 HydrophobicContact CZ3-CG 4.42Å; W1524-V1582 HydrophobicContact CH2-CG1 4.14Å; W1524-V1582 HydrophobicContact CH2-CG2 4.48Å
1525	Y	35.8	Very low	29.3	Very low	128 Å²	128	132.4 Å²	132.4	50%	0.502	72%	0.717	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.4	140	169.5	-85.7	-104.9	0	0	0	110.7	A1551 Y1552 W1568	Y1525-A1551 CarbonylContact O-C 3.54Å; Y1525-A1551 WeakPolarHBondContact O-CA 3.23Å; Y1525-Y1552 PolarHBondContact N-O 3.01Å; Y1525-Y1552 VanDerWaalsContact N-O 3.1Å; Y1525-Y1552 PolarHBondContact O-N 3.39Å; Y1525-W1568 AromaticContact CD2-CH2 3.31Å; Y1525-W1568 HydrophobicContact CD2-CH2 3.31Å; Y1525-W1568 HydrophobicContact CD2-CZ2 4.04Å; Y1525-W1568 AromaticContact CD2-CZ3 3.65Å; Y1525-W1568 HydrophobicContact CD2-CZ3 3.65Å; Y1525-W1568 AromaticContact CE2-CH2 3.61Å; Y1525-W1568 HydrophobicContact CE2-CH2 3.61Å; Y1525-W1568 HydrophobicContact CE2-CZ2 4.08Å; Y1525-W1568 HydrophobicContact CE2-CZ3 4.4Å; Y1525-W1568 HydrophobicContact CG-CH2 4.35Å; Y1525-W1568 HydrophobicContact CG-CZ3 4.41Å
1526	F	35.4	Very low	29.4	Very low	148 Å²	148	131 Å²	131	65%	0.649	72%	0.715	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.6	136.6	-179.7	-68.5	-101.7	0	0	0	110.5	W1524 A1551 L1573	W1524-F1526 HydrophobicContact CB-CE2 4.3Å; F1526-A1551 HydrophobicContact CD1-CB 4.3Å; F1526-A1551 HydrophobicContact CE1-CB 4.47Å; F1526-L1573 HydrophobicContact CD1-CD1 4.24Å; F1526-L1573 HydrophobicContact CE1-CD1 3.45Å; F1526-L1573 VanDerWaalsContact CE1-CD1 3.45Å; F1526-L1573 HydrophobicContact CZ-CD1 3.99Å
1527	E	34.6	Very low	29.5	Very low	73 Å²	73	130.9 Å²	130.9	34%	0.341	71%	0.714	S	S	.	*			trans	-125.2	88.7	175.7	-168.7	-173.1	-152.5	0	0	110.4	K1529 W1550 Y1552	E1527-K1529 PolarHBondContact O-N 2.76Å; E1527-K1529 WeakPolarHBondContact OE1-CE 3.41Å; E1527-K1529 IonicContact OE1-NZ 2.77Å; E1527-K1529 PolarHBondContact OE1-NZ 3.27Å; E1527-K1529 IonicContact OE2-NZ 3.22Å; E1527-K1529 PolarHBondContact OE2-NZ 3.45Å; E1527-W1550 PolarHBondContact N-O 2.86Å; E1527-Y1552 HydrophobicContact CB-CD2 4.35Å; E1527-Y1552 HydrophobicContact CB-CE2 3.83Å; E1527-Y1552 PolarHBondContact OE2-OH 3.36Å; E1527-Y1552 VanDerWaalsContact OE2-OH 3.14Å
1528	A	29.8	Very low	29.9	Very low	107 Å²	107	127.5 Å²	127.5	88%	0.884	71%	0.711	S	S	*	*			trans	-73.7	119.1	175.3	0	0	0	0	0	110.8
1529	K	30.3	Very low	30.1	Very low	138 Å²	138	125.2 Å²	125.2	60%	0.6	71%	0.705	S	S	*	*			trans	-122	122.2	175.4	-86.9	172	174.8	148.8	0	110.9	E1527 C1531	E1527-K1529 PolarHBondContact O-N 2.76Å; E1527-K1529 WeakPolarHBondContact OE1-CE 3.41Å; E1527-K1529 IonicContact OE1-NZ 2.77Å; E1527-K1529 PolarHBondContact OE1-NZ 3.27Å; E1527-K1529 IonicContact OE2-NZ 3.22Å; E1527-K1529 PolarHBondContact OE2-NZ 3.45Å; K1529-C1531 PolarHBondContact O-N 2.79Å; K1529-C1531 PolarHBondContact O-SG 2.77Å; K1529-C1531 VanDerWaalsContact O-SG 3.4Å
1530	N	28.4	Very low	30.8	Very low	170 Å²	170	122.1 Å²	122.1	91%	0.909	69%	0.691	S	S	*	*			trans	-53.4	125	168.5	-69.8	-11.6	0	0	0	109.8
1531	C	27.2	Very low	31.3	Very low	118 Å²	118	122.3 Å²	122.3	80%	0.797	69%	0.69	S	S	*	*			trans	-126.3	89.6	175.9	-66.6	0	0	0	0	110	K1529	K1529-C1531 PolarHBondContact O-N 2.79Å; K1529-C1531 PolarHBondContact O-SG 2.77Å; K1529-C1531 VanDerWaalsContact O-SG 3.4Å
1532	S	27.8	Very low	31.8	Very low	118 Å²	118	116.9 Å²	116.9	83%	0.825	66%	0.662	S	S	*	*			trans	-66.8	154.1	154.1	42.5	0	0	0	0	110.2
1533	A	26.7	Very low	32.2	Very low	93 Å²	93	117.3 Å²	117.3	77%	0.769	67%	0.665	S	S	*	*			trans	-47.9	160.5	-178.2	0	0	0	0	0	115
1534	P	30.2	Very low	33.1	Very low	116 Å²	116	110.1 Å²	110.1	75%	0.753	66%	0.655	S	S	*	*			cis	-142.1	154.7	31.1	40.5	-21.1	0	0	0	120.4
1535	V	27.8	Very low	33.7	Very low	132 Å²	132	109.3 Å²	109.3	80%	0.8	66%	0.658	S	S	*	*			trans	34.2	108.8	140	-172.2	0	0	0	0	118.7
1536	L	26	Very low	34.6	Very low	161 Å²	161	106.8 Å²	106.8	84%	0.843	66%	0.656	S	S	*	*				-164.7	145.1	128.6	-106	165.1	0	0	0	110
1537	S	28.5	Very low	36.1	Very low	111 Å²	111	104.4 Å²	104.4	78%	0.776	65%	0.649	S	S	*	*	S	Bend	trans	65.1	155	-172.9	78.2	0	0	0	0	116.8
1538	P	30.1	Very low	38	Very low	120 Å²	120	106.4 Å²	106.4	78%	0.779	66%	0.659	S	S	*	*			trans	-82.1	139.1	-175.8	-9.1	27.5	0	0	0	112.6
1539	P	30.1	Very low	40.2	Very low	112 Å²	112	102.4 Å²	102.4	73%	0.727	63%	0.628	S	S	*	*			trans	-70.4	133.5	177.1	28.9	-34	0	0	0	111.7	V1541	P1539-V1541 PolarHBondContact O-N 2.72Å; P1539-V1541 VanDerWaalsContact O-N 3.16Å
1540	K	39.2	Very low	42.5	Very low	69 Å²	69	99.5 Å²	99.5	30%	0.3	61%	0.613	S	S	.	*			trans	-63.5	112.5	164.9	-79.7	177	169.9	173.7	0	108.6	Y1542 E1587 S1588 Y1589	K1540-Y1542 VanDerWaalsContact C-N 3.3Å; K1540-Y1542 HydrophobicContact CB-CD2 4.22Å; K1540-Y1542 HydrophobicContact CB-CE2 3.78Å; K1540-Y1542 HydrophobicContact CD-CE2 4.42Å; K1540-Y1542 WeakPolarHBondContact CD-OH 3.25Å; K1540-Y1542 WeakPolarHBondContact O-CD2 3.4Å; K1540-Y1542 PolarHBondContact O-N 3.48Å; K1540-E1587 PolarHBondContact NZ-O 3.22Å; K1540-S1588 PolarHBondContact NZ-O 3.36Å; K1540-Y1589 VanDerWaalsContact NZ-CD2 3.26Å; K1540-Y1589 VanDerWaalsContact NZ-CG 3.31Å
1541	V	38.4	Very low	44.3	Very low	135 Å²	135	91.4 Å²	91.4	82%	0.818	57%	0.57	S	S	*	*			trans	-75.2	82.7	-179.3	-175.5	0	0	0	0	110.2	P1539 A1543	P1539-V1541 PolarHBondContact O-N 2.72Å; P1539-V1541 VanDerWaalsContact O-N 3.16Å; V1541-A1543 PolarHBondContact O-N 2.86Å
1542	Y	42.3	Very low	46.2	Very low	67 Å²	67	89 Å²	89	26%	0.263	54%	0.544	S	S	.	.			trans	-72.6	90.9	170.4	-63.8	-68.6	0	0	0	109.7	K1540 G1544 V1545	K1540-Y1542 VanDerWaalsContact C-N 3.3Å; K1540-Y1542 HydrophobicContact CB-CD2 4.22Å; K1540-Y1542 HydrophobicContact CB-CE2 3.78Å; K1540-Y1542 HydrophobicContact CD-CE2 4.42Å; K1540-Y1542 WeakPolarHBondContact CD-OH 3.25Å; K1540-Y1542 WeakPolarHBondContact O-CD2 3.4Å; K1540-Y1542 PolarHBondContact O-N 3.48Å; Y1542-G1544 PolarHBondContact O-N 3.37Å; Y1542-V1545 HydrophobicContact CG-CG2 4.4Å; Y1542-V1545 WeakPolarHBondContact O-CG2 3.27Å; Y1542-V1545 PolarHBondContact O-N 3.3Å
1543	A	38.3	Very low	47.9	Very low	72 Å²	72	85.7 Å²	85.7	60%	0.595	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	126	176.5	0	0	0	0	0	111.1	V1541 K1576	V1541-A1543 PolarHBondContact O-N 2.86Å; A1543-K1576 VanDerWaalsContact O-CE 3.27Å; A1543-K1576 WeakPolarHBondContact O-CE 3.46Å; A1543-K1576 PolarHBondContact O-NZ 3.3Å
1544	G	50.8	Low	49.3	Very low	54 Å²	54	82.6 Å²	82.6	56%	0.557	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	17.3	177.2	0	0	0	0	0	116.6	Y1542 K1576	Y1542-G1544 PolarHBondContact O-N 3.37Å; G1544-K1576 WeakPolarHBondContact O-CG 3.35Å
1545	V	49.2	Very low	50.3	Low	53 Å²	53	81.8 Å²	81.8	32%	0.321	48%	0.476	S	S	.	.			trans	-63.7	138.2	171.4	172.2	0	0	0	0	111.4	Y1542 E1548 V1574	Y1542-V1545 HydrophobicContact CG-CG2 4.4Å; Y1542-V1545 WeakPolarHBondContact O-CG2 3.27Å; Y1542-V1545 PolarHBondContact O-N 3.3Å; V1545-E1548 HydrophobicContact CG1-CB 4.39Å; V1545-V1574 HydrophobicContact CB-CG1 4.31Å; V1545-V1574 HydrophobicContact CG1-CG1 3.96Å; V1545-V1574 HydrophobicContact CG2-CG1 3.41Å; V1545-V1574 VanDerWaalsContact CG2-CG1 3.41Å
1546	T	56.3	Low	51.1	Low	76 Å²	76	81.3 Å²	81.3	47%	0.466	47%	0.468	S	S	.	.			trans	-108	-39.7	-179.1	-39.4	0	0	0	0	111.4	L1575 G1577	T1546-L1575 PolarHBondContact N-O 3.2Å; T1546-G1577 PolarHBondContact OG1-N 3.03Å
1547	L	65.6	Low	51.8	Low	98 Å²	98	77.4 Å²	77.4	51%	0.513	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	153.7	171.2	-70.9	175.3	0	0	0	109.4	L1575 V1602	L1547-L1575 HydrophobicContact CB-CB 4.11Å; L1547-L1575 HydrophobicContact CB-CD2 4.38Å; L1547-L1575 HydrophobicContact CD1-CD2 4.22Å; L1547-L1575 HydrophobicContact CG-CD2 4.48Å; L1547-L1575 PolarHBondContact N-O 3.16Å; L1547-L1575 PolarHBondContact O-N 3.18Å; L1547-V1602 HydrophobicContact CD1-CG1 3.82Å
1548	E	75.7	Confident	52.4	Low	114 Å²	114	78.4 Å²	78.4	53%	0.533	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	162.6	167.3	60.6	173.4	-159.2	0	0	111.8	V1545 W1572 L1573 V1574	V1545-E1548 HydrophobicContact CG1-CB 4.39Å; E1548-W1572 HydrophobicContact CB-CZ2 4.12Å; E1548-W1572 HydrophobicContact CG-CH2 4.49Å; E1548-W1572 HydrophobicContact CG-CZ2 4.03Å; E1548-L1573 CarbonylContact C-O 3.58Å; E1548-L1573 WeakPolarHBondContact CA-O 3.43Å; E1548-L1573 WeakPolarHBondContact CB-O 3.21Å; E1548-V1574 HydrophobicContact CB-CG2 4.18Å
1549	G	76.1	Confident	52.7	Low	23 Å²	23	77.8 Å²	77.8	24%	0.237	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163	-176.3	174.3	0	0	0	0	0	115.3	L1573	G1549-L1573 PolarHBondContact N-O 2.66Å; G1549-L1573 PolarHBondContact O-N 2.95Å
1550	W	76.8	Confident	52.8	Low	77 Å²	77	84.8 Å²	84.8	29%	0.292	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.5	177.9	-68.8	105	0	0	0	112.2	E1527 K1570 W1572	E1527-W1550 PolarHBondContact N-O 2.86Å; W1550-K1570 HydrophobicContact CD2-CD 3.78Å; W1550-K1570 HydrophobicContact CD2-CG 4.16Å; W1550-K1570 HydrophobicContact CE3-CB 4.32Å; W1550-K1570 HydrophobicContact CE3-CD 3.5Å; W1550-K1570 HydrophobicContact CE3-CG 3.56Å; W1550-K1570 HydrophobicContact CG-CD 4.3Å; W1550-K1570 HydrophobicContact CH2-CD 4.47Å; W1550-K1570 HydrophobicContact CZ3-CB 4.44Å; W1550-K1570 HydrophobicContact CZ3-CD 3.87Å; W1550-K1570 HydrophobicContact CZ3-CG 4.09Å; W1550-W1572 AromaticContact CD1-CE3 3.97Å; W1550-W1572 AromaticContact CD1-CZ3 3.68Å; W1550-W1572 AromaticContact CD2-CE3 3.66Å; W1550-W1572 HydrophobicContact CD2-CE3 3.66Å; W1550-W1572 HydrophobicContact CD2-CZ3 4.17Å; W1550-W1572 AromaticContact CE2-CE3 3.54Å; W1550-W1572 AromaticContact CE2-CZ3 3.82Å; W1550-W1572 HydrophobicContact CE3-CB 4.38Å; W1550-W1572 HydrophobicContact CE3-CE3 4.17Å; W1550-W1572 AromaticContact CG-CE3 3.97Å; W1550-W1572 HydrophobicContact CG-CE3 3.97Å; W1550-W1572 HydrophobicContact CG-CZ3 4.11Å; W1550-W1572 HydrophobicContact CH2-CE3 4.49Å; W1550-W1572 AromaticContact CZ2-CE3 3.99Å; W1550-W1572 HydrophobicContact CZ2-CE3 3.99Å; W1550-W1572 HydrophobicContact CZ2-CZ3 4.46Å; W1550-W1572 HydrophobicContact CZ3-CB 4.16Å; W1550-W1572 AromaticContact NE1-CE3 3.71Å; W1550-W1572 AromaticContact NE1-CZ3 3.47Å
1551	A	67.2	Low	52.4	Low	0 Å²	0	84.8 Å²	84.8	0%	0	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	160.6	166.6	0	0	0	0	0	111	W1524 Y1525 F1526 K1570 R1571 L1573	W1524-A1551 HydrophobicContact CE3-CB 4.4Å; Y1525-A1551 CarbonylContact O-C 3.54Å; Y1525-A1551 WeakPolarHBondContact O-CA 3.23Å; F1526-A1551 HydrophobicContact CD1-CB 4.3Å; F1526-A1551 HydrophobicContact CE1-CB 4.47Å; A1551-K1570 WeakPolarHBondContact O-CA 3.21Å; A1551-R1571 PolarHBondContact N-O 3.08Å; A1551-R1571 PolarHBondContact O-N 3.14Å; A1551-L1573 HydrophobicContact CB-CD1 3.44Å; A1551-L1573 VanDerWaalsContact CB-CD1 3.44Å; A1551-L1573 HydrophobicContact CB-CG 3.92Å
1552	Y	66.2	Low	52	Low	68 Å²	68	87.3 Å²	87.3	27%	0.267	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.3	173.2	-68.2	-82.7	0	0	0	109.2	Y1525 E1527 W1568 V1569 K1570	Y1525-Y1552 PolarHBondContact N-O 3.01Å; Y1525-Y1552 VanDerWaalsContact N-O 3.1Å; Y1525-Y1552 PolarHBondContact O-N 3.39Å; E1527-Y1552 HydrophobicContact CB-CD2 4.35Å; E1527-Y1552 HydrophobicContact CB-CE2 3.83Å; E1527-Y1552 PolarHBondContact OE2-OH 3.36Å; E1527-Y1552 VanDerWaalsContact OE2-OH 3.14Å; Y1552-W1568 HydrophobicContact CD1-CB 4.04Å; Y1552-W1568 HydrophobicContact CG-CB 4.45Å; Y1552-V1569 WeakPolarHBondContact CA-O 3.46Å; Y1552-K1570 HydrophobicContact CD1-CB 4.45Å; Y1552-K1570 HydrophobicContact CD1-CG 4.26Å; Y1552-K1570 HydrophobicContact CE1-CB 4.27Å; Y1552-K1570 HydrophobicContact CE1-CG 3.84Å
1553	Q	63.5	Low	51.5	Low	49 Å²	49	92.8 Å²	92.8	23%	0.229	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.6	173.2	-170.9	179.6	16.6	0	0	108.8	W1524 Q1555 W1568 V1569 R1571	W1524-Q1553 HydrophobicContact CE3-CB 4.17Å; W1524-Q1553 HydrophobicContact CE3-CG 4.45Å; W1524-Q1553 HydrophobicContact CH2-CB 4.23Å; W1524-Q1553 HydrophobicContact CH2-CG 3.94Å; W1524-Q1553 HydrophobicContact CZ2-CG 4.36Å; W1524-Q1553 HydrophobicContact CZ3-CB 3.78Å; W1524-Q1553 HydrophobicContact CZ3-CG 3.99Å; Q1553-Q1555 PolarHBondContact O-N 2.96Å; Q1553-W1568 CarbonylContact O-C 3.57Å; Q1553-W1568 WeakPolarHBondContact O-CA 3.28Å; Q1553-V1569 PolarHBondContact N-O 3.23Å; Q1553-V1569 PolarHBondContact O-N 2.88Å; Q1553-R1571 HydrophobicContact CB-CG 4.02Å
1554	A	56.8	Low	51.5	Low	27 Å²	27	92.2 Å²	92.2	22%	0.223	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.7	172.6	0	0	0	0	0	109.7	I1556 W1568	A1554-I1556 PolarHBondContact O-N 3.49Å; A1554-W1568 HydrophobicContact CB-CE3 4.12Å; A1554-W1568 HydrophobicContact CB-CH2 3.85Å; A1554-W1568 HydrophobicContact CB-CZ2 4.43Å; A1554-W1568 HydrophobicContact CB-CZ3 3.68Å
1555	Q	50.7	Low	50.8	Low	100 Å²	100	97.1 Å²	97.1	47%	0.467	49%	0.487	S	S	.	.			trans	-75.1	95.3	172.3	-167.7	170.4	7.9	0	0	109.1	Q1553 D1557 K1567 V1569	Q1553-Q1555 PolarHBondContact O-N 2.96Å; Q1555-D1557 PolarHBondContact O-N 3.32Å; Q1555-K1567 HydrophobicContact CB-CB 4.42Å; Q1555-K1567 WeakPolarHBondContact CB-O 3.5Å; Q1555-K1567 PolarHBondContact N-O 3.19Å; Q1555-V1569 HydrophobicContact CB-CG2 4.2Å
1556	I	45.6	Very low	50.5	Low	122 Å²	122	102.7 Å²	102.7	63%	0.626	51%	0.509	S	S	*	.			trans	-79.7	94.5	172	-56.5	177.7	0	0	0	107.3	A1554 C1558	A1554-I1556 PolarHBondContact O-N 3.49Å; I1556-C1558 PolarHBondContact O-N 3.28Å; I1556-C1558 VanDerWaalsContact O-N 3.08Å
1557	D	40.9	Very low	50.5	Low	79 Å²	79	106.2 Å²	106.2	42%	0.422	52%	0.518	S	S	.	.			trans	-56.4	112.8	169.2	-94.1	-34.7	0	0	0	109.5	Q1555 K1559 S1564	Q1555-D1557 PolarHBondContact O-N 3.32Å; D1557-K1559 PolarHBondContact O-N 3.01Å; D1557-K1559 VanDerWaalsContact O-N 3.14Å; D1557-S1564 VanDerWaalsContact OD2-CB 3.32Å; D1557-S1564 WeakPolarHBondContact OD2-CB 3.35Å; D1557-S1564 PolarHBondContact OD2-OG 3.47Å
1558	C	40.1	Very low	50.3	Low	132 Å²	132	106.8 Å²	106.8	89%	0.892	51%	0.513	S	S	*	.	S	Bend	trans	-67.1	-9.8	173.7	-55.3	0	0	0	0	112.6	I1556	I1556-C1558 PolarHBondContact O-N 3.28Å; I1556-C1558 VanDerWaalsContact O-N 3.08Å
1559	K	36.4	Very low	50	Low	106 Å²	106	103.6 Å²	103.6	46%	0.461	50%	0.502	S	S	.	.	S	Bend	trans	-87.4	113.5	175.2	-67.4	179.3	179.2	174.8	0	109.7	D1557 S1561	D1557-K1559 PolarHBondContact O-N 3.01Å; D1557-K1559 VanDerWaalsContact O-N 3.14Å; K1559-S1561 PolarHBondContact O-N 3.04Å
1560	R	31.8	Very low	50.1	Low	259 Å²	259	106.6 Å²	106.6	98%	0.977	51%	0.508	S	S	*	.			trans	-66.1	63.8	171.8	-78.6	-177.2	168.9	172.9	-1.6	112.5
1561	S	30.9	Very low	50.3	Low	70 Å²	70	104.5 Å²	104.5	49%	0.49	50%	0.5	S	S	.	.			trans	-85.1	147.9	163.4	94	0	0	0	0	109.5	K1559 H1563	K1559-S1561 PolarHBondContact O-N 3.04Å; S1561-H1563 VanDerWaalsContact C-N 3.25Å; S1561-H1563 PolarHBondContact O-N 3.2Å; S1561-H1563 PolarHBondContact OG-N 3.05Å
1562	R	30.8	Very low	51.2	Low	188 Å²	188	106.2 Å²	106.2	71%	0.709	51%	0.507	S	S	*	.	S	Bend	trans	-80.2	-3.3	177.7	-79.5	-174	172.3	165.3	2.8	113.9	R1504	R1504-R1562 PolarHBondContact O-NH1 2.64Å
1563	H	32.6	Very low	52	Low	181 Å²	181	103.5 Å²	103.5	84%	0.838	50%	0.497	S	S	*	.			trans	-146.2	71.4	-169.9	-60.4	-43	0	0	0	112.9	S1561	S1561-H1563 VanDerWaalsContact C-N 3.25Å; S1561-H1563 PolarHBondContact O-N 3.2Å; S1561-H1563 PolarHBondContact OG-N 3.05Å
1564	S	36.5	Very low	52.8	Low	61 Å²	61	101.2 Å²	101.2	43%	0.427	49%	0.486	S	S	.	.			trans	-125.3	138.7	158.1	65.9	0	0	0	0	111.3	D1557	D1557-S1564 VanDerWaalsContact OD2-CB 3.32Å; D1557-S1564 WeakPolarHBondContact OD2-CB 3.35Å; D1557-S1564 PolarHBondContact OD2-OG 3.47Å
1565	N	37.4	Very low	53.6	Low	156 Å²	156	100.7 Å²	100.7	83%	0.834	48%	0.479	S	S	*	.			trans	-78.6	140.1	179.9	-75.2	-48.9	0	0	0	110	K1567	N1565-K1567 VanDerWaalsContact C-N 3.34Å; N1565-K1567 PolarHBondContact O-N 3.31Å
1566	H	43.4	Very low	54.6	Low	170 Å²	170	100 Å²	100	79%	0.787	48%	0.475	S	S	*	.			trans	-60.5	88.8	176.2	-60.8	-56.1	0	0	0	112.2
1567	K	54.4	Low	55.8	Low	150 Å²	150	96.4 Å²	96.4	65%	0.652	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-74.9	130.8	167.6	-80.6	-174.3	175.4	179.7	0	109.2	Q1555 N1565	Q1555-K1567 HydrophobicContact CB-CB 4.42Å; Q1555-K1567 WeakPolarHBondContact CB-O 3.5Å; Q1555-K1567 PolarHBondContact N-O 3.19Å; N1565-K1567 VanDerWaalsContact C-N 3.34Å; N1565-K1567 PolarHBondContact O-N 3.31Å
1568	W	62.4	Low	57.2	Low	110 Å²	110	99.6 Å²	99.6	42%	0.417	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.2	173.3	-73.7	92.2	0	0	0	108.1	Y1525 Y1552 Q1553 A1554	Y1525-W1568 AromaticContact CD2-CH2 3.31Å; Y1525-W1568 HydrophobicContact CD2-CH2 3.31Å; Y1525-W1568 HydrophobicContact CD2-CZ2 4.04Å; Y1525-W1568 AromaticContact CD2-CZ3 3.65Å; Y1525-W1568 HydrophobicContact CD2-CZ3 3.65Å; Y1525-W1568 AromaticContact CE2-CH2 3.61Å; Y1525-W1568 HydrophobicContact CE2-CH2 3.61Å; Y1525-W1568 HydrophobicContact CE2-CZ2 4.08Å; Y1525-W1568 HydrophobicContact CE2-CZ3 4.4Å; Y1525-W1568 HydrophobicContact CG-CH2 4.35Å; Y1525-W1568 HydrophobicContact CG-CZ3 4.41Å; Y1552-W1568 HydrophobicContact CD1-CB 4.04Å; Y1552-W1568 HydrophobicContact CG-CB 4.45Å; Q1553-W1568 CarbonylContact O-C 3.57Å; Q1553-W1568 WeakPolarHBondContact O-CA 3.28Å; A1554-W1568 HydrophobicContact CB-CE3 4.12Å; A1554-W1568 HydrophobicContact CB-CH2 3.85Å; A1554-W1568 HydrophobicContact CB-CZ2 4.43Å; A1554-W1568 HydrophobicContact CB-CZ3 3.68Å
1569	V	69.4	Low	58.8	Low	47 Å²	47	97.1 Å²	97.1	29%	0.285	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.7	-178.8	-179.3	0	0	0	0	108.9	Y1552 Q1553 Q1555	Y1552-V1569 WeakPolarHBondContact CA-O 3.46Å; Q1553-V1569 PolarHBondContact N-O 3.23Å; Q1553-V1569 PolarHBondContact O-N 2.88Å; Q1555-V1569 HydrophobicContact CB-CG2 4.2Å
1570	K	78.9	Confident	61	Low	86 Å²	86	93.4 Å²	93.4	37%	0.374	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.1	-178.6	-146.6	-165.3	-176.4	-155.9	0	109.6	W1550 A1551 Y1552	W1550-K1570 HydrophobicContact CD2-CD 3.78Å; W1550-K1570 HydrophobicContact CD2-CG 4.16Å; W1550-K1570 HydrophobicContact CE3-CB 4.32Å; W1550-K1570 HydrophobicContact CE3-CD 3.5Å; W1550-K1570 HydrophobicContact CE3-CG 3.56Å; W1550-K1570 HydrophobicContact CG-CD 4.3Å; W1550-K1570 HydrophobicContact CH2-CD 4.47Å; W1550-K1570 HydrophobicContact CZ3-CB 4.44Å; W1550-K1570 HydrophobicContact CZ3-CD 3.87Å; W1550-K1570 HydrophobicContact CZ3-CG 4.09Å; A1551-K1570 WeakPolarHBondContact O-CA 3.21Å; Y1552-K1570 HydrophobicContact CD1-CB 4.45Å; Y1552-K1570 HydrophobicContact CD1-CG 4.26Å; Y1552-K1570 HydrophobicContact CE1-CB 4.27Å; Y1552-K1570 HydrophobicContact CE1-CG 3.84Å
1571	R	80.5	Confident	63.5	Low	34 Å²	34	83.8 Å²	83.8	13%	0.128	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.6	178.3	-59.1	-56.6	-167.7	165.2	24.4	110.7	W1524 A1551 Q1553 V1582 E1592	W1524-R1571 HydrophobicContact CZ3-CG 4.42Å; A1551-R1571 PolarHBondContact N-O 3.08Å; A1551-R1571 PolarHBondContact O-N 3.14Å; Q1553-R1571 HydrophobicContact CB-CG 4.02Å; R1571-V1582 HydrophobicContact CB-CG1 4.13Å; R1571-V1582 HydrophobicContact CG-CG1 4.34Å; R1571-E1592 IonicContact CZ-OE1 2.64Å; R1571-E1592 IonicContact CZ-OE2 3.64Å; R1571-E1592 IonicContact NE-OE2 3.59Å; R1571-E1592 VanDerWaalsContact NH1-CD 3.3Å; R1571-E1592 IonicContact NH1-OE1 3.72Å; R1571-E1592 PolarHBondContact NH1-OE1 3.31Å; R1571-E1592 IonicContact NH1-OE2 2.73Å; R1571-E1592 PolarHBondContact NH1-OE2 2.91Å; R1571-E1592 IonicContact NH2-OE1 3.88Å; R1571-E1592 PolarHBondContact NH2-OE1 3.05Å; R1571-E1592 IonicContact NH2-OE2 2.75Å; R1571-E1592 PolarHBondContact NH2-OE2 2.8Å
1572	W	86.1	Confident	66.1	Low	36 Å²	36	80.6 Å²	80.6	14%	0.136	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.2	174.1	-176.1	-104.5	0	0	0	109.3	E1548 W1550 Y1583	E1548-W1572 HydrophobicContact CB-CZ2 4.12Å; E1548-W1572 HydrophobicContact CG-CH2 4.49Å; E1548-W1572 HydrophobicContact CG-CZ2 4.03Å; W1550-W1572 AromaticContact CD1-CE3 3.97Å; W1550-W1572 AromaticContact CD1-CZ3 3.68Å; W1550-W1572 AromaticContact CD2-CE3 3.66Å; W1550-W1572 HydrophobicContact CD2-CE3 3.66Å; W1550-W1572 HydrophobicContact CD2-CZ3 4.17Å; W1550-W1572 AromaticContact CE2-CE3 3.54Å; W1550-W1572 AromaticContact CE2-CZ3 3.82Å; W1550-W1572 HydrophobicContact CE3-CB 4.38Å; W1550-W1572 HydrophobicContact CE3-CE3 4.17Å; W1550-W1572 AromaticContact CG-CE3 3.97Å; W1550-W1572 HydrophobicContact CG-CE3 3.97Å; W1550-W1572 HydrophobicContact CG-CZ3 4.11Å; W1550-W1572 HydrophobicContact CH2-CE3 4.49Å; W1550-W1572 AromaticContact CZ2-CE3 3.99Å; W1550-W1572 HydrophobicContact CZ2-CE3 3.99Å; W1550-W1572 HydrophobicContact CZ2-CZ3 4.46Å; W1550-W1572 HydrophobicContact CZ3-CB 4.16Å; W1550-W1572 AromaticContact NE1-CE3 3.71Å; W1550-W1572 AromaticContact NE1-CZ3 3.47Å; W1572-Y1583 PolarHBondContact N-O 3.23Å; W1572-Y1583 PolarHBondContact O-N 3.25Å
1573	L	83.8	Confident	68.7	Low	10 Å²	10	72.4 Å²	72.4	5%	0.052	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.4	-179.1	-64.5	-174.1	0	0	0	110.2	F1526 E1548 G1549 A1551 L1580 Y1581 V1582	F1526-L1573 HydrophobicContact CD1-CD1 4.24Å; F1526-L1573 HydrophobicContact CE1-CD1 3.45Å; F1526-L1573 VanDerWaalsContact CE1-CD1 3.45Å; F1526-L1573 HydrophobicContact CZ-CD1 3.99Å; E1548-L1573 CarbonylContact C-O 3.58Å; E1548-L1573 WeakPolarHBondContact CA-O 3.43Å; E1548-L1573 WeakPolarHBondContact CB-O 3.21Å; G1549-L1573 PolarHBondContact N-O 2.66Å; G1549-L1573 PolarHBondContact O-N 2.95Å; A1551-L1573 HydrophobicContact CB-CD1 3.44Å; A1551-L1573 VanDerWaalsContact CB-CD1 3.44Å; A1551-L1573 HydrophobicContact CB-CG 3.92Å; L1573-L1580 HydrophobicContact CB-CD1 4.11Å; L1573-L1580 HydrophobicContact CD1-CD1 4.43Å; L1573-Y1581 WeakPolarHBondContact CA-O 3.47Å; L1573-V1582 HydrophobicContact CD2-CB 4.04Å; L1573-V1582 HydrophobicContact CD2-CG1 3.89Å; L1573-V1582 HydrophobicContact CD2-CG2 3.76Å
1574	V	79.4	Confident	71	Confident	2 Å²	2	68 Å²	68	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.8	171.7	-177.1	0	0	0	0	108.6	V1545 E1548 Y1581 Y1583	V1545-V1574 HydrophobicContact CB-CG1 4.31Å; V1545-V1574 HydrophobicContact CG1-CG1 3.96Å; V1545-V1574 HydrophobicContact CG2-CG1 3.41Å; V1545-V1574 VanDerWaalsContact CG2-CG1 3.41Å; E1548-V1574 HydrophobicContact CB-CG2 4.18Å; V1574-Y1581 PolarHBondContact N-O 2.84Å; V1574-Y1581 WeakPolarHBondContact O-CB 3.35Å; V1574-Y1581 WeakPolarHBondContact O-CD2 3.44Å; V1574-Y1581 PolarHBondContact O-N 2.86Å; V1574-Y1583 HydrophobicContact CB-CE2 4Å; V1574-Y1583 HydrophobicContact CG2-CD2 4.05Å; V1574-Y1583 HydrophobicContact CG2-CE2 3.74Å
1575	L	74.3	Confident	73.2	Confident	15 Å²	15	67.6 Å²	67.6	8%	0.079	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.5	171.8	-178	67.2	0	0	0	109	T1546 L1547 G1577 L1580 L1597 V1602	T1546-L1575 PolarHBondContact N-O 3.2Å; L1547-L1575 HydrophobicContact CB-CB 4.11Å; L1547-L1575 HydrophobicContact CB-CD2 4.38Å; L1547-L1575 HydrophobicContact CD1-CD2 4.22Å; L1547-L1575 HydrophobicContact CG-CD2 4.48Å; L1547-L1575 PolarHBondContact N-O 3.16Å; L1547-L1575 PolarHBondContact O-N 3.18Å; L1575-G1577 WeakPolarHBondContact CD1-O 3.48Å; L1575-L1580 HydrophobicContact CB-CD1 4.22Å; L1575-L1580 HydrophobicContact CD1-CB 4.28Å; L1575-L1580 HydrophobicContact CD1-CD1 4.47Å; L1575-L1597 HydrophobicContact CD1-CD1 3.72Å; L1575-V1602 HydrophobicContact CD2-CG2 3.79Å
1576	K	70.8	Confident	75.1	Confident	86 Å²	86	62.7 Å²	62.7	37%	0.374	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	102.9	175.7	161.5	167	173.6	172.2	0	108.8	A1543 G1544 F1579 Y1581	A1543-K1576 VanDerWaalsContact O-CE 3.27Å; A1543-K1576 WeakPolarHBondContact O-CE 3.46Å; A1543-K1576 PolarHBondContact O-NZ 3.3Å; G1544-K1576 WeakPolarHBondContact O-CG 3.35Å; K1576-F1579 PolarHBondContact N-O 3.24Å; K1576-F1579 PolarHBondContact O-N 2.91Å; K1576-Y1581 HydrophobicContact CB-CD2 4.36Å; K1576-Y1581 HydrophobicContact CB-CE2 3.87Å; K1576-Y1581 HydrophobicContact CG-CE2 4.37Å
1577	G	71.2	Confident	76.6	Confident	46 Å²	46	61.5 Å²	61.5	47%	0.474	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	-134.6	-169.9	0	0	0	0	0	111.3	T1546 L1575 F1579	T1546-G1577 PolarHBondContact OG1-N 3.03Å; L1575-G1577 WeakPolarHBondContact CD1-O 3.48Å; G1577-F1579 PolarHBondContact O-N 3.39Å
1578	F	70	Confident	77.6	Confident	146 Å²	146	55.3 Å²	55.3	64%	0.64	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	12.2	178.1	-55.3	-74.4	0	0	0	114.4	R1596 L1597	F1578-R1596 CarbonylContact O-C 3.58Å; F1578-R1596 WeakPolarHBondContact O-CA 3.35Å; F1578-L1597 PolarHBondContact O-N 3.49Å
1579	F	74.8	Confident	78.1	Confident	81 Å²	81	60 Å²	60	36%	0.355	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.6	-175	-63	-82.8	0	0	0	111.4	K1576 G1577 Y1581 V1594 I1595 R1596	K1576-F1579 PolarHBondContact N-O 3.24Å; K1576-F1579 PolarHBondContact O-N 2.91Å; G1577-F1579 PolarHBondContact O-N 3.39Å; F1579-Y1581 HydrophobicContact CB-CD2 4.19Å; F1579-Y1581 HydrophobicContact CB-CE2 3.48Å; F1579-Y1581 VanDerWaalsContact CB-CE2 3.48Å; F1579-Y1581 WeakPolarHBondContact O-CD2 3.38Å; F1579-Y1581 WeakPolarHBondContact O-CE2 3.44Å; F1579-V1594 HydrophobicContact CB-CG1 4.16Å; F1579-V1594 HydrophobicContact CD1-CG1 3.99Å; F1579-V1594 HydrophobicContact CG-CG1 4.48Å; F1579-I1595 WeakPolarHBondContact CA-O 3.2Å; F1579-R1596 HydrophobicContact CD1-CB 4.04Å; F1579-R1596 HydrophobicContact CD1-CG 4.27Å; F1579-R1596 HydrophobicContact CE1-CB 3.88Å; F1579-R1596 HydrophobicContact CE1-CG 3.86Å; F1579-R1596 HydrophobicContact CZ-CG 4.35Å
1580	L	82.1	Confident	78.3	Confident	27 Å²	27	65.3 Å²	65.3	14%	0.141	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.5	172.2	-178.4	66.7	0	0	0	109	L1573 L1575 I1595 L1597	L1573-L1580 HydrophobicContact CB-CD1 4.11Å; L1573-L1580 HydrophobicContact CD1-CD1 4.43Å; L1575-L1580 HydrophobicContact CB-CD1 4.22Å; L1575-L1580 HydrophobicContact CD1-CB 4.28Å; L1575-L1580 HydrophobicContact CD1-CD1 4.47Å; L1580-I1595 HydrophobicContact CB-CB 4.34Å; L1580-I1595 HydrophobicContact CD2-CD1 4.48Å; L1580-I1595 PolarHBondContact N-O 3.32Å; L1580-I1595 PolarHBondContact O-N 3.33Å; L1580-L1597 HydrophobicContact CB-CD1 4Å; L1580-L1597 HydrophobicContact CB-CD2 4.4Å; L1580-L1597 HydrophobicContact CB-CG 4.05Å
1581	Y	84	Confident	78.3	Confident	57 Å²	57	63.3 Å²	63.3	22%	0.224	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.9	179.4	-61.3	-108.9	0	0	0	108.5	L1573 V1574 K1576 F1579 Y1583 P1591 V1594	L1573-Y1581 WeakPolarHBondContact CA-O 3.47Å; V1574-Y1581 PolarHBondContact N-O 2.84Å; V1574-Y1581 WeakPolarHBondContact O-CB 3.35Å; V1574-Y1581 WeakPolarHBondContact O-CD2 3.44Å; V1574-Y1581 PolarHBondContact O-N 2.86Å; K1576-Y1581 HydrophobicContact CB-CD2 4.36Å; K1576-Y1581 HydrophobicContact CB-CE2 3.87Å; K1576-Y1581 HydrophobicContact CG-CE2 4.37Å; F1579-Y1581 HydrophobicContact CB-CD2 4.19Å; F1579-Y1581 HydrophobicContact CB-CE2 3.48Å; F1579-Y1581 VanDerWaalsContact CB-CE2 3.48Å; F1579-Y1581 WeakPolarHBondContact O-CD2 3.38Å; F1579-Y1581 WeakPolarHBondContact O-CE2 3.44Å; Y1581-Y1583 VanDerWaalsContact CB-CE2 3.49Å; Y1581-Y1583 HydrophobicContact CG-CE2 4.48Å; Y1581-P1591 HydrophobicContact CD1-CB 4.45Å; Y1581-P1591 HydrophobicContact CD1-CG 4.16Å; Y1581-V1594 HydrophobicContact CD1-CG1 4.27Å; Y1581-V1594 HydrophobicContact CD1-CG2 3.8Å; Y1581-V1594 HydrophobicContact CE1-CG1 4.18Å; Y1581-V1594 HydrophobicContact CE1-CG2 4.14Å; Y1581-V1594 HydrophobicContact CG-CG2 4.48Å
1582	V	85.8	Confident	78.3	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.024	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118	176	-170	0	0	0	0	108.4	W1524 R1571 L1573 P1591 E1592 M1593 I1595	W1524-V1582 HydrophobicContact CH2-CG1 4.14Å; W1524-V1582 HydrophobicContact CH2-CG2 4.48Å; R1571-V1582 HydrophobicContact CB-CG1 4.13Å; R1571-V1582 HydrophobicContact CG-CG1 4.34Å; L1573-V1582 HydrophobicContact CD2-CB 4.04Å; L1573-V1582 HydrophobicContact CD2-CG1 3.89Å; L1573-V1582 HydrophobicContact CD2-CG2 3.76Å; V1582-P1591 CarbonylContact O-C 3.52Å; V1582-P1591 WeakPolarHBondContact O-CA 3.29Å; V1582-P1591 VanDerWaalsContact O-CB 3.3Å; V1582-P1591 WeakPolarHBondContact O-CB 3.34Å; V1582-E1592 PolarHBondContact O-N 3.43Å; V1582-M1593 HydrophobicContact CB-CB 4.05Å; V1582-M1593 HydrophobicContact CG2-CB 4.09Å; V1582-M1593 HydrophobicContact CG2-CG 4.49Å; V1582-M1593 PolarHBondContact N-O 3.13Å; V1582-M1593 PolarHBondContact O-N 2.89Å; V1582-I1595 HydrophobicContact CG2-CD1 4.13Å; V1582-I1595 HydrophobicContact CG2-CG1 4.46Å
1583	Y	85.6	Confident	78	Confident	16 Å²	16	68.9 Å²	68.9	6%	0.063	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.6	176.4	-62.5	-92.5	0	0	0	110.7	W1572 V1574 Y1581 N1585 Q1590 P1591	W1572-Y1583 PolarHBondContact N-O 3.23Å; W1572-Y1583 PolarHBondContact O-N 3.25Å; V1574-Y1583 HydrophobicContact CB-CE2 4Å; V1574-Y1583 HydrophobicContact CG2-CD2 4.05Å; V1574-Y1583 HydrophobicContact CG2-CE2 3.74Å; Y1581-Y1583 VanDerWaalsContact CB-CE2 3.49Å; Y1581-Y1583 HydrophobicContact CG-CE2 4.48Å; Y1583-N1585 VanDerWaalsContact CB-O 3.31Å; Y1583-N1585 WeakPolarHBondContact CB-O 3.44Å; Y1583-N1585 PolarHBondContact O-N 2.99Å; Y1583-Q1590 WeakPolarHBondContact CD1-O 3.3Å; Y1583-P1591 HydrophobicContact CD1-CB 4.23Å; Y1583-P1591 HydrophobicContact CE1-CB 4.1Å
1584	L	79.5	Confident	77.9	Confident	89 Å²	89	71.7 Å²	71.7	47%	0.466	36%	0.356	S	S	.	.	S	Bend	trans	-58.5	-37.5	178.1	-174.3	128	0	0	0	111.6	E1592	L1584-E1592 VanDerWaalsContact CA-OE2 3.3Å; L1584-E1592 WeakPolarHBondContact CA-OE2 3.48Å; L1584-E1592 HydrophobicContact CB-CG 4.24Å; L1584-E1592 PolarHBondContact N-OE2 3.39Å
1585	N	82.8	Confident	77.7	Confident	52 Å²	52	74.2 Å²	74.2	28%	0.278	37%	0.369	S	S	.	.	S	Bend	trans	-154	176.7	170.4	61.9	20.8	0	0	0	110	Y1583 E1587 S1588	Y1583-N1585 VanDerWaalsContact CB-O 3.31Å; Y1583-N1585 WeakPolarHBondContact CB-O 3.44Å; Y1583-N1585 PolarHBondContact O-N 2.99Å; N1585-E1587 PolarHBondContact O-N 3.48Å; N1585-E1587 PolarHBondContact OD1-N 3.39Å; N1585-E1587 VanDerWaalsContact OD1-N 3.11Å; N1585-S1588 PolarHBondContact N-OG 3.36Å; N1585-S1588 WeakPolarHBondContact O-CB 3.32Å; N1585-S1588 PolarHBondContact O-N 2.92Å; N1585-S1588 PolarHBondContact O-OG 3.35Å; N1585-S1588 PolarHBondContact OD1-N 3.45Å; N1585-S1588 PolarHBondContact OD1-OG 2.05Å
1586	S	78.3	Confident	77.8	Confident	52 Å²	52	81.7 Å²	81.7	36%	0.364	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.9	177.9	47.8	0	0	0	0	114.8
1587	E	75.2	Confident	77.4	Confident	145 Å²	145	79.7 Å²	79.7	68%	0.678	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-17.1	-177.7	-63.6	177.3	-178.9	0	0	113	K1540 N1585 Y1589	K1540-E1587 PolarHBondContact NZ-O 3.22Å; N1585-E1587 PolarHBondContact O-N 3.48Å; N1585-E1587 PolarHBondContact OD1-N 3.39Å; N1585-E1587 VanDerWaalsContact OD1-N 3.11Å; E1587-Y1589 WeakPolarHBondContact O-CD2 3.37Å
1588	S	74.7	Confident	76.4	Confident	20 Å²	20	81.4 Å²	81.4	14%	0.14	39%	0.394	C	S	.	.			trans	-55.2	143.7	-175.3	-64.4	0	0	0	0	112.6	K1540 N1585	K1540-S1588 PolarHBondContact NZ-O 3.36Å; N1585-S1588 PolarHBondContact N-OG 3.36Å; N1585-S1588 WeakPolarHBondContact O-CB 3.32Å; N1585-S1588 PolarHBondContact O-N 2.92Å; N1585-S1588 PolarHBondContact O-OG 3.35Å; N1585-S1588 PolarHBondContact OD1-N 3.45Å; N1585-S1588 PolarHBondContact OD1-OG 2.05Å
1589	Y	74	Confident	75.5	Confident	208 Å²	208	78.4 Å²	78.4	82%	0.816	38%	0.384	S	S	*	.	S	Bend	trans	-97.3	-16.2	-179.9	-76.9	-98.4	0	0	0	113.6	K1540 E1587	K1540-Y1589 VanDerWaalsContact NZ-CD2 3.26Å; K1540-Y1589 VanDerWaalsContact NZ-CG 3.31Å; E1587-Y1589 WeakPolarHBondContact O-CD2 3.37Å
1590	Q	71.9	Confident	74.2	Confident	159 Å²	159	77.7 Å²	77.7	74%	0.743	39%	0.389	S	S	*	.	S	Bend	trans	-132.3	146.5	173.1	-67.3	-179.6	-11.8	0	0	108.6	Y1583	Y1583-Q1590 WeakPolarHBondContact CD1-O 3.3Å
1591	P	80.4	Confident	72.5	Confident	44 Å²	44	83.8 Å²	83.8	29%	0.286	41%	0.41	S	S	.	.			trans	-71.5	145.2	170.3	32.3	-36.1	0	0	0	110.6	Y1581 V1582 Y1583 M1593 V1594	Y1581-P1591 HydrophobicContact CD1-CB 4.45Å; Y1581-P1591 HydrophobicContact CD1-CG 4.16Å; V1582-P1591 CarbonylContact O-C 3.52Å; V1582-P1591 WeakPolarHBondContact O-CA 3.29Å; V1582-P1591 VanDerWaalsContact O-CB 3.3Å; V1582-P1591 WeakPolarHBondContact O-CB 3.34Å; Y1583-P1591 HydrophobicContact CD1-CB 4.23Å; Y1583-P1591 HydrophobicContact CE1-CB 4.1Å; P1591-M1593 VanDerWaalsContact C-N 3.27Å; P1591-V1594 HydrophobicContact CB-CG2 3.97Å; P1591-V1594 HydrophobicContact CG-CG2 3.45Å; P1591-V1594 VanDerWaalsContact CG-CG2 3.45Å
1592	E	79.3	Confident	70.8	Confident	96 Å²	96	84.9 Å²	84.9	45%	0.449	42%	0.422	S	S	.	.	S	Bend	trans	-67.2	-32.3	165.1	-79.1	172.7	116.8	0	0	111.2	R1571 V1582 L1584	R1571-E1592 IonicContact CZ-OE1 2.64Å; R1571-E1592 IonicContact CZ-OE2 3.64Å; R1571-E1592 IonicContact NE-OE2 3.59Å; R1571-E1592 VanDerWaalsContact NH1-CD 3.3Å; R1571-E1592 IonicContact NH1-OE1 3.72Å; R1571-E1592 PolarHBondContact NH1-OE1 3.31Å; R1571-E1592 IonicContact NH1-OE2 2.73Å; R1571-E1592 PolarHBondContact NH1-OE2 2.91Å; R1571-E1592 IonicContact NH2-OE1 3.88Å; R1571-E1592 PolarHBondContact NH2-OE1 3.05Å; R1571-E1592 IonicContact NH2-OE2 2.75Å; R1571-E1592 PolarHBondContact NH2-OE2 2.8Å; V1582-E1592 PolarHBondContact O-N 3.43Å; L1584-E1592 VanDerWaalsContact CA-OE2 3.3Å; L1584-E1592 WeakPolarHBondContact CA-OE2 3.48Å; L1584-E1592 HydrophobicContact CB-CG 4.24Å; L1584-E1592 PolarHBondContact N-OE2 3.39Å
1593	M	80.1	Confident	68.8	Low	91 Å²	91	89.1 Å²	89.1	45%	0.448	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	139.9	-173.5	-175.8	-175.3	-68.5	0	0	110.2	V1582 P1591 I1595	V1582-M1593 HydrophobicContact CB-CB 4.05Å; V1582-M1593 HydrophobicContact CG2-CB 4.09Å; V1582-M1593 HydrophobicContact CG2-CG 4.49Å; V1582-M1593 PolarHBondContact N-O 3.13Å; V1582-M1593 PolarHBondContact O-N 2.89Å; P1591-M1593 VanDerWaalsContact C-N 3.27Å; M1593-I1595 HydrophobicContact CG-CD1 4.48Å; M1593-I1595 HydrophobicContact CG-CG1 3.88Å; M1593-I1595 HydrophobicContact SD-CD1 3.8Å; M1593-I1595 HydrophobicContact SD-CG1 3.78Å
1594	V	82.3	Confident	66.7	Low	70 Å²	70	93.6 Å²	93.6	42%	0.424	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.2	172.3	-176.7	0	0	0	0	108.2	F1579 Y1581 P1591	F1579-V1594 HydrophobicContact CB-CG1 4.16Å; F1579-V1594 HydrophobicContact CD1-CG1 3.99Å; F1579-V1594 HydrophobicContact CG-CG1 4.48Å; Y1581-V1594 HydrophobicContact CD1-CG1 4.27Å; Y1581-V1594 HydrophobicContact CD1-CG2 3.8Å; Y1581-V1594 HydrophobicContact CE1-CG1 4.18Å; Y1581-V1594 HydrophobicContact CE1-CG2 4.14Å; Y1581-V1594 HydrophobicContact CG-CG2 4.48Å; P1591-V1594 HydrophobicContact CB-CG2 3.97Å; P1591-V1594 HydrophobicContact CG-CG2 3.45Å; P1591-V1594 VanDerWaalsContact CG-CG2 3.45Å
1595	I	75.8	Confident	64.7	Low	54 Å²	54	95.9 Å²	95.9	28%	0.277	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.1	-176.7	-51.1	175.2	0	0	0	108.3	F1579 L1580 V1582 M1593 L1597	F1579-I1595 WeakPolarHBondContact CA-O 3.2Å; L1580-I1595 HydrophobicContact CB-CB 4.34Å; L1580-I1595 HydrophobicContact CD2-CD1 4.48Å; L1580-I1595 PolarHBondContact N-O 3.32Å; L1580-I1595 PolarHBondContact O-N 3.33Å; V1582-I1595 HydrophobicContact CG2-CD1 4.13Å; V1582-I1595 HydrophobicContact CG2-CG1 4.46Å; M1593-I1595 HydrophobicContact CG-CD1 4.48Å; M1593-I1595 HydrophobicContact CG-CG1 3.88Å; M1593-I1595 HydrophobicContact SD-CD1 3.8Å; M1593-I1595 HydrophobicContact SD-CG1 3.78Å; I1595-L1597 HydrophobicContact CG2-CD2 3.94Å; I1595-L1597 PolarHBondContact O-N 3.38Å
1596	R	74.4	Confident	62.5	Low	173 Å²	173	96.2 Å²	96.2	65%	0.653	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	110.7	171	-174.3	176.4	176.5	178.6	-3	109.1	F1578 F1579 S1598	F1578-R1596 CarbonylContact O-C 3.58Å; F1578-R1596 WeakPolarHBondContact O-CA 3.35Å; F1579-R1596 HydrophobicContact CD1-CB 4.04Å; F1579-R1596 HydrophobicContact CD1-CG 4.27Å; F1579-R1596 HydrophobicContact CE1-CB 3.88Å; F1579-R1596 HydrophobicContact CE1-CG 3.86Å; F1579-R1596 HydrophobicContact CZ-CG 4.35Å; R1596-S1598 PolarHBondContact O-N 3.19Å; R1596-S1598 VanDerWaalsContact O-N 3.1Å
1597	L	63.5	Low	60.3	Low	43 Å²	43	99.8 Å²	99.8	23%	0.225	54%	0.541	C	S	.	.			trans	-82.8	79.1	-179.5	-62.6	-173.2	0	0	0	111.2	L1575 F1578 L1580 I1595 C1600	L1575-L1597 HydrophobicContact CD1-CD1 3.72Å; F1578-L1597 PolarHBondContact O-N 3.49Å; L1580-L1597 HydrophobicContact CB-CD1 4Å; L1580-L1597 HydrophobicContact CB-CD2 4.4Å; L1580-L1597 HydrophobicContact CB-CG 4.05Å; I1595-L1597 HydrophobicContact CG2-CD2 3.94Å; I1595-L1597 PolarHBondContact O-N 3.38Å; L1597-C1600 HydrophobicContact CB-CB 3.83Å; L1597-C1600 HydrophobicContact CD1-CB 4.44Å
1598	S	50.9	Low	58.2	Low	83 Å²	83	99.5 Å²	99.5	58%	0.58	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	141.6	166.6	-56.6	0	0	0	0	111.1	R1596 C1600	R1596-S1598 PolarHBondContact O-N 3.19Å; R1596-S1598 VanDerWaalsContact O-N 3.1Å; S1598-C1600 PolarHBondContact O-N 3.41Å
1599	N	49.8	Very low	56	Low	82 Å²	82	106.7 Å²	106.7	44%	0.439	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	53.3	18.9	174.2	-57.4	-1.6	0	0	0	116.6	I1388 W1389 D1390	I1388-N1599 PolarHBondContact O-OD1 3.4Å; W1389-N1599 VanDerWaalsContact CD1-ND2 3.28Å; D1390-N1599 PolarHBondContact OD1-ND2 3.34Å
1600	C	46.9	Very low	53.8	Low	66 Å²	66	104 Å²	104	45%	0.446	57%	0.568	S	S	.	*			trans	-77.1	129.2	-179.9	-176.2	0	0	0	0	112.9	L1597 S1598	L1597-C1600 HydrophobicContact CB-CB 3.83Å; L1597-C1600 HydrophobicContact CD1-CB 4.44Å; S1598-C1600 PolarHBondContact O-N 3.41Å
1601	R	47.1	Very low	51.9	Low	156 Å²	156	101.4 Å²	101.4	59%	0.589	56%	0.564	S	S	*	*			trans	-103.4	115.8	163.3	-81.5	-174.4	170.6	175.8	0.2	110.2	P1386 F1387 S1603	P1386-R1601 PolarHBondContact O-NH2 3.21Å; F1387-R1601 VanDerWaalsContact CD2-NH2 3.3Å; R1601-S1603 PolarHBondContact O-N 3.4Å
1602	V	48	Very low	49.4	Very low	80 Å²	80	110.4 Å²	110.4	49%	0.485	59%	0.592	S	S	.	*			trans	-76.9	108.6	167.1	-178.7	0	0	0	0	108.5	L1547 L1575	L1547-V1602 HydrophobicContact CD1-CG1 3.82Å; L1575-V1602 HydrophobicContact CD2-CG2 3.79Å
1603	S	45.1	Very low	46.9	Very low	93 Å²	93	116 Å²	116	65%	0.65	62%	0.615	S	S	*	*			trans	-72.1	144.8	172	55.7	0	0	0	0	111.1	R1601	R1601-S1603 PolarHBondContact O-N 3.4Å
1604	P	39.8	Very low	44.5	Very low	109 Å²	109	119.4 Å²	119.4	71%	0.708	63%	0.633	S	S	*	*			trans	-58.1	156.7	168.6	27.2	-34.9	0	0	0	111	G1606	P1604-G1606 PolarHBondContact O-N 3.35Å
1605	P	38.8	Very low	41.9	Very low	138 Å²	138	129.3 Å²	129.3	90%	0.896	67%	0.67	S	S	*	*			trans	-69.3	86	-170.4	27.9	-35.9	0	0	0	112.6
1606	G	35.9	Very low	40.2	Very low	59 Å²	59	133.1 Å²	133.1	61%	0.608	69%	0.69	S	S	*	*			trans	-74.3	146.8	170.4	0	0	0	0	0	112	P1604	P1604-G1606 PolarHBondContact O-N 3.35Å
1607	P	32	Very low	38.4	Very low	127 Å²	127	130.9 Å²	130.9	83%	0.825	69%	0.692	S	S	*	*	S	Bend	trans	-70	139.2	177.2	29	-34.2	0	0	0	112.1
1608	E	30.6	Very low	37	Very low	139 Å²	139	135.8 Å²	135.8	65%	0.65	72%	0.718	S	S	*	*			trans	63.1	79.3	164.3	-53	-160.8	139.1	0	0	119.6	K1610	E1608-K1610 VanDerWaalsContact C-N 3.28Å; E1608-K1610 HydrophobicContact CB-CD 4.46Å; E1608-K1610 HydrophobicContact CB-CG 4.35Å; E1608-K1610 PolarHBondContact O-N 2.68Å; E1608-K1610 WeakPolarHBondContact OE1-CE 3.05Å; E1608-K1610 IonicContact OE1-NZ 3.76Å; E1608-K1610 PolarHBondContact OE1-NZ 3.2Å; E1608-K1610 VanDerWaalsContact OE2-CE 3.28Å; E1608-K1610 WeakPolarHBondContact OE2-CE 3.4Å; E1608-K1610 IonicContact OE2-NZ 3.81Å; E1608-K1610 PolarHBondContact OE2-NZ 2.83Å
1609	L	28.9	Very low	36.2	Very low	170 Å²	170	138.9 Å²	138.9	89%	0.89	73%	0.726	S	S	*	*			trans	-79.1	73.3	155.7	-101.1	169.7	0	0	0	111.8	T1611	L1609-T1611 PolarHBondContact O-N 3.13Å
1610	K	28.2	Very low	35.3	Very low	151 Å²	151	142.5 Å²	142.5	66%	0.657	74%	0.744	S	S	*	*			trans	-75.9	82.9	175	-78.7	171.9	176	157.3	0	112	E1608 R1612	E1608-K1610 VanDerWaalsContact C-N 3.28Å; E1608-K1610 HydrophobicContact CB-CD 4.46Å; E1608-K1610 HydrophobicContact CB-CG 4.35Å; E1608-K1610 PolarHBondContact O-N 2.68Å; E1608-K1610 WeakPolarHBondContact OE1-CE 3.05Å; E1608-K1610 IonicContact OE1-NZ 3.76Å; E1608-K1610 PolarHBondContact OE1-NZ 3.2Å; E1608-K1610 VanDerWaalsContact OE2-CE 3.28Å; E1608-K1610 WeakPolarHBondContact OE2-CE 3.4Å; E1608-K1610 IonicContact OE2-NZ 3.81Å; E1608-K1610 PolarHBondContact OE2-NZ 2.83Å; K1610-R1612 PolarHBondContact O-N 2.57Å
1611	T	31.9	Very low	34.6	Very low	106 Å²	106	147.6 Å²	147.6	65%	0.65	76%	0.764	S	S	*	*			trans	-69.3	113.7	173.3	49.2	0	0	0	0	111.4	L1609	L1609-T1611 PolarHBondContact O-N 3.13Å
1612	R	28.9	Very low	33.7	Very low	232 Å²	232	147 Å²	147	88%	0.875	78%	0.776	S	S	*	*			trans	-65.9	146	177.2	-78.4	-180	168.8	175.3	-3.3	111.1	K1610 I1614	K1610-R1612 PolarHBondContact O-N 2.57Å; R1612-I1614 PolarHBondContact O-N 3.43Å; R1612-I1614 VanDerWaalsContact O-N 3.11Å
1613	K	26.5	Very low	32.5	Very low	214 Å²	214	152.2 Å²	152.2	93%	0.93	80%	0.798	S	S	*	*			trans	-60.2	110.8	164.1	-68.4	-179.5	177.9	179.7	0	109.6
1614	I	28.4	Very low	31.5	Very low	163 Å²	163	157.1 Å²	157.1	84%	0.836	81%	0.811	S	S	*	*			trans	-93.5	138.3	158.4	-59.9	-179.9	0	0	0	106.5	R1612	R1612-I1614 PolarHBondContact O-N 3.43Å; R1612-I1614 VanDerWaalsContact O-N 3.11Å
1615	K	28.3	Very low	30.8	Very low	277 Å²	277	161.5 Å²	161.5	100%	1.204	82%	0.82	S	S	*	*			trans	-85.3	0	-179.9	-84.8	-173.9	171.7	-176.8	0	111.4

Retrieved 1,615 of 1,615 residues in 1431.7 ms (Link to these results)

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