A0A3Q0KL89_SCHMA Loading...

RNB domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KL89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,001 aa.

						>A0A3Q0KL89_SCHMA|A0A3Q0KL89
MSDKVVNPKRKRSRYPRKVVQKLKSVGQAIEPNLPVNGVSGVDKPSSNNAYYPHWSHDDLISGVRNGTLLSGNLRINPKNFEDGYVKHPAGDADVYISTLASRNRALPNDIVAVMLEPKRNWRVFDSFIDESTIREIGDSNQKKKPRYVTLEQFLKIQPMGLEQVIGSRLAEEIIRDLDSPLDPTDSSSGEHDVQSHRAWWAIIQRTGHVVGILQSLHSRAFIGNLQIPSNFQTPKKVSPKGDQNNNQTEPMRTDPALSNWRNAVLIPTDTRLPRVFIPREACPEGFLKNPETYKNVRFIGRITEWLNSSMFPKGELLRELSCDSSTLIQDETDRILVGAGFIWGVDAAFQFPDIVIESVRKSVDEVNAIREKDFIFRKDFRKYCVFTIDPSTARDLDDALHIRQLEPSEIEKLESSGYRNAFYEVGVHIADVSYFVKPNSLVDKEAASRATSIYLVQLCVPMLPRLLCEEQCSLNPGEDKLAFSVVFTVTEDAKILTTWFGRTFIRSCCKLSYEDAQGFIDHPDRDWSSSGFVKVDEPYTIMDICQNVLKLNDLATKMRKSRFHSGALRLDQVKSTFSLNNETGLPLGIAPYISKQSNWLIEEWMLAANKSVAERLAKYLPDSAFLRRHPSPSVKQLTEVSSSLNVAGININIDSAGSIQNSICREAGCNVEVGYHYSDALVKLCDDFMSGVLIHDSHLIEEMKTMDLNSVVQKDKLPLKTLEHEARLLVTVALLTKTMNLAVYFCLGLLPSELSPAHYALNMQLYTHFTSPIRRYADVIVHRQLSAILAKEESDPEKADWYLSTAFPKEMTPVELQQQAEVCNSKKLSARLAGEESAELFFVLFVKETGPFNEVCAVTSILDRSFDVLILSCGLIKRVYLQNLNLKSYEFVPPRTATRKVVESGKLCLLWNSDILENSNTKGLDSADCTQNIIVGSKTTSPSCGCFYMEIKLFDVVRCCVSVDSCSSVDDVSQSGRPNTLLPKLLVTLLRSTCKECHVV
					

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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	33	Very low	31.1	Very low	244 Å²	244	168.3 Å²	168.3	100%	1.202	85%	0.846	S	S	*	*				0	136.5	0	-80.2	179.5	171.3	0	0	107.9
2	S	29.2	Very low	31.2	Very low	104 Å²	104	173.5 Å²	173.5	73%	0.727	85%	0.848	S	S	*	*			trans	-42.9	136.2	173	46.8	0	0	0	0	113.3
3	D	32.4	Very low	31.1	Very low	150 Å²	150	168.6 Å²	168.6	80%	0.802	84%	0.842	S	S	*	*				-157.1	147.6	125.5	-98.9	-31.3	0	0	0	113.4
4	K	31.8	Very low	31.1	Very low	189 Å²	189	171.9 Å²	171.9	82%	0.822	84%	0.84	S	S	*	*			trans	-59.4	122	-160.3	-68.5	157.8	177.3	172.4	0	114	V6	K4-V6 PolarHBondContact O-N 3.01Å
5	V	32.7	Very low	31.1	Very low	138 Å²	138	171.3 Å²	171.3	84%	0.836	83%	0.826	S	S	*	*			trans	-75.1	104.4	164.1	179.1	0	0	0	0	108.7	N7	V5-N7 PolarHBondContact O-N 2.8Å; V5-N7 VanDerWaalsContact O-N 3.17Å
6	V	30.4	Very low	31.3	Very low	130 Å²	130	166.3 Å²	166.3	79%	0.788	81%	0.812	S	S	*	*			trans	-66.3	109.6	169.4	175	0	0	0	0	108.2	K4 P8	K4-V6 PolarHBondContact O-N 3.01Å; V6-P8 WeakPolarHBondContact O-CD 3.49Å
7	N	28.7	Very low	31.4	Very low	143 Å²	143	167.6 Å²	167.6	77%	0.765	81%	0.806	S	S	*	*			trans	-71	115.2	178.9	-141.8	-14.6	0	0	0	109.1	V5 K9	V5-N7 PolarHBondContact O-N 2.8Å; V5-N7 VanDerWaalsContact O-N 3.17Å; N7-K9 PolarHBondContact O-N 3.45Å
8	P	30.7	Very low	31.6	Very low	106 Å²	106	168 Å²	168	69%	0.688	80%	0.803	S	S	*	*			trans	-69.2	121.3	-177.2	26.2	-30.4	0	0	0	109.4	V6 R10	V6-P8 WeakPolarHBondContact O-CD 3.49Å; P8-R10 PolarHBondContact O-N 3.11Å
9	K	31.7	Very low	31.9	Very low	202 Å²	202	164.2 Å²	164.2	88%	0.878	79%	0.792	S	S	*	*			trans	-46.3	110.3	172.8	-73.2	177.8	175.7	176.5	0	109.5	N7 K11	N7-K9 PolarHBondContact O-N 3.45Å; K9-K11 PolarHBondContact O-N 3.45Å
10	R	32.3	Very low	32.2	Very low	241 Å²	241	159.7 Å²	159.7	91%	0.909	77%	0.774	S	S	*	*			trans	-51.2	108.4	171.6	-78.3	178.8	172.4	176.5	-3.1	108.8	P8 R12	P8-R10 PolarHBondContact O-N 3.11Å; R10-R12 PolarHBondContact O-N 3.31Å
11	K	29.2	Very low	32.3	Very low	204 Å²	204	158 Å²	158	89%	0.887	77%	0.765	S	S	*	*			trans	-61.5	107.9	169.4	-78.3	179.6	176.5	175.2	0	107.4	K9 S13	K9-K11 PolarHBondContact O-N 3.45Å; K11-S13 PolarHBondContact O-N 3.02Å
12	R	31.7	Very low	32.4	Very low	231 Å²	231	154.8 Å²	154.8	87%	0.872	75%	0.745	S	S	*	*			trans	-50.4	124.6	163.6	-75.2	179.8	171.3	176	-3.4	107.4	R10 R14	R10-R12 PolarHBondContact O-N 3.31Å; R12-R14 VanDerWaalsContact C-N 3.29Å; R12-R14 PolarHBondContact O-N 3.39Å
13	S	30.8	Very low	32.7	Very low	110 Å²	110	156 Å²	156	77%	0.769	74%	0.742	S	S	*	*			trans	-54.4	95.1	169.9	176.7	0	0	0	0	108.4	K11	K11-S13 PolarHBondContact O-N 3.02Å
14	R	30.3	Very low	32.7	Very low	215 Å²	215	156.5 Å²	156.5	81%	0.811	74%	0.737	S	S	*	*			trans	-89.5	115.5	167.1	-83.8	-176.3	170.3	177.8	-3.2	105.2	R12	R12-R14 VanDerWaalsContact C-N 3.29Å; R12-R14 PolarHBondContact O-N 3.39Å
15	Y	31.9	Very low	32.7	Very low	162 Å²	162	152.1 Å²	152.1	64%	0.635	73%	0.731	S	S	*	*			trans	-46	145	179.2	-73.2	-91.3	0	0	0	112.2	R17	Y15-R17 PolarHBondContact O-N 3.27Å
16	P	33.9	Very low	32.7	Very low	92 Å²	92	149.4 Å²	149.4	60%	0.597	71%	0.714	S	S	*	*			trans	-58.3	111.5	-178.6	-20.3	30.7	0	0	0	111	K18 V19	P16-K18 PolarHBondContact O-N 3.39Å; P16-V19 PolarHBondContact O-N 3.36Å; P16-V19 VanDerWaalsContact O-N 3.14Å
17	R	33.7	Very low	32.7	Very low	188 Å²	188	146.1 Å²	146.1	71%	0.709	71%	0.707	S	S	*	*	H	α-helix	trans	-49.7	-26.8	179.6	-80.2	-179	172.2	173.2	-5.2	113.7	Y15 V19 V20 Q21	Y15-R17 PolarHBondContact O-N 3.27Å; R17-V19 PolarHBondContact O-N 3.28Å; R17-V20 PolarHBondContact O-N 3.22Å; R17-Q21 VanDerWaalsContact O-CB 3.31Å; R17-Q21 WeakPolarHBondContact O-CB 3.39Å; R17-Q21 WeakPolarHBondContact O-CG 3.26Å; R17-Q21 PolarHBondContact O-N 3.15Å
18	K	34.7	Very low	32.6	Very low	175 Å²	175	148.5 Å²	148.5	76%	0.761	71%	0.713	S	S	*	*	H	α-helix	trans	-65.2	-32.8	-178.2	-71.1	-172.9	176.1	-177.2	0	114.1	P16 K22	P16-K18 PolarHBondContact O-N 3.39Å; K18-K22 PolarHBondContact O-N 3.49Å
19	V	36.9	Very low	32.5	Very low	96 Å²	96	147.4 Å²	147.4	58%	0.582	71%	0.713	S	S	*	*	H	α-helix	trans	-77.8	-41.5	178.5	179.9	0	0	0	0	110.4	P16 R17 L23	P16-V19 PolarHBondContact O-N 3.36Å; P16-V19 VanDerWaalsContact O-N 3.14Å; R17-V19 PolarHBondContact O-N 3.28Å; V19-L23 HydrophobicContact CG1-CD1 4.4Å; V19-L23 PolarHBondContact O-N 3.02Å
20	V	37	Very low	32.2	Very low	73 Å²	73	145.2 Å²	145.2	44%	0.442	71%	0.709	S	S	.	*	H	α-helix	trans	-68.8	-37.7	177.4	-178.2	0	0	0	0	111.4	R17 L23 K24	R17-V20 PolarHBondContact O-N 3.22Å; V20-L23 PolarHBondContact O-N 3.07Å; V20-K24 HydrophobicContact CG1-CD 4.35Å; V20-K24 HydrophobicContact CG1-CG 4.43Å; V20-K24 WeakPolarHBondContact O-CG 3.28Å; V20-K24 PolarHBondContact O-N 3.05Å
21	Q	34.5	Very low	31.9	Very low	126 Å²	126	140.7 Å²	140.7	59%	0.589	70%	0.698	S	S	*	*	H	α-helix	trans	-69.4	-35.5	177.9	-85.5	178.2	-37.7	0	0	113.5	R17 L23 K24	R17-Q21 VanDerWaalsContact O-CB 3.31Å; R17-Q21 WeakPolarHBondContact O-CB 3.39Å; R17-Q21 WeakPolarHBondContact O-CG 3.26Å; R17-Q21 PolarHBondContact O-N 3.15Å; Q21-L23 VanDerWaalsContact C-N 3.25Å; Q21-L23 PolarHBondContact O-N 3.36Å; Q21-K24 PolarHBondContact O-N 3.43Å
22	K	35.8	Very low	31.8	Very low	176 Å²	176	136.7 Å²	136.7	77%	0.765	69%	0.693	S	S	*	*	H	α-helix	trans	-68.3	-25.3	175.1	-103.7	-174.2	173.6	-173.5	0	113.1	K18 S25	K18-K22 PolarHBondContact O-N 3.49Å; K22-S25 PolarHBondContact O-OG 3.47Å
23	L	35.1	Very low	31.6	Very low	130 Å²	130	131.2 Å²	131.2	68%	0.681	68%	0.682	S	S	*	*	H	α-helix	trans	-86	-26.2	174.6	-68.3	167.5	0	0	0	112.4	V19 V20 Q21 S25	V19-L23 HydrophobicContact CG1-CD1 4.4Å; V19-L23 PolarHBondContact O-N 3.02Å; V20-L23 PolarHBondContact O-N 3.07Å; Q21-L23 VanDerWaalsContact C-N 3.25Å; Q21-L23 PolarHBondContact O-N 3.36Å; L23-S25 VanDerWaalsContact C-N 3.3Å; L23-S25 PolarHBondContact O-N 3.09Å
24	K	32.5	Very low	31.4	Very low	159 Å²	159	133.5 Å²	133.5	69%	0.691	68%	0.684	S	S	*	*	H	α-helix	trans	-69.1	-20	177.2	-82.7	-174.6	174.8	-156.4	0	114.7	V20 Q21 V26	V20-K24 HydrophobicContact CG1-CD 4.35Å; V20-K24 HydrophobicContact CG1-CG 4.43Å; V20-K24 WeakPolarHBondContact O-CG 3.28Å; V20-K24 PolarHBondContact O-N 3.05Å; Q21-K24 PolarHBondContact O-N 3.43Å; K24-V26 VanDerWaalsContact C-N 3.32Å; K24-V26 PolarHBondContact O-N 2.91Å
25	S	31.9	Very low	31.1	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	4.7	-177.8	60.1	0	0	0	0	114.7	K22 L23	K22-S25 PolarHBondContact O-OG 3.47Å; L23-S25 VanDerWaalsContact C-N 3.3Å; L23-S25 PolarHBondContact O-N 3.09Å
26	V	33.4	Very low	30.9	Very low	80 Å²	80	127.5 Å²	127.5	49%	0.485	69%	0.69	S	S	.	*	S	Bend	trans	-120.9	-9.4	-172.3	-171.6	0	0	0	0	114.1	K24 P622	K24-V26 VanDerWaalsContact C-N 3.32Å; K24-V26 PolarHBondContact O-N 2.91Å; V26-P622 HydrophobicContact CG1-CB 4.31Å; V26-P622 HydrophobicContact CG1-CG 4.33Å
27	G	31.1	Very low	30.4	Very low	62 Å²	62	130.7 Å²	130.7	64%	0.639	70%	0.703	S	S	*	*			trans	-100.4	95.3	169.2	0	0	0	0	0	110.6	A29	G27-A29 PolarHBondContact O-N 3.3Å; G27-A29 VanDerWaalsContact O-N 3.11Å
28	Q	26	Very low	30.1	Very low	192 Å²	192	125.2 Å²	125.2	90%	0.897	70%	0.704	S	S	*	*			trans	-59	116.4	155.6	-86.6	-176.6	-15.6	0	0	106.3	I30	Q28-I30 PolarHBondContact O-N 3.42Å
29	A	28.3	Very low	29.9	Very low	83 Å²	83	123.1 Å²	123.1	69%	0.686	71%	0.706	S	S	*	*			trans	-54.5	126.3	168.4	0	0	0	0	0	107.1	G27 E31	G27-A29 PolarHBondContact O-N 3.3Å; G27-A29 VanDerWaalsContact O-N 3.11Å; A29-E31 VanDerWaalsContact C-N 3.25Å; A29-E31 PolarHBondContact O-N 3.27Å
30	I	26.2	Very low	29.6	Very low	157 Å²	157	123.6 Å²	123.6	81%	0.805	71%	0.713	S	S	*	*			trans	-64.1	96.8	168.8	-60.8	173.1	0	0	0	105.1	Q28 P32	Q28-I30 PolarHBondContact O-N 3.42Å; I30-P32 WeakPolarHBondContact O-CD 3.37Å
31	E	26	Very low	29.6	Very low	145 Å²	145	123 Å²	123	68%	0.678	72%	0.722	S	S	*	*			trans	-65.7	124.8	175.2	-76.2	-173.3	173	0	0	108.7	A29 N33	A29-E31 VanDerWaalsContact C-N 3.25Å; A29-E31 PolarHBondContact O-N 3.27Å; E31-N33 VanDerWaalsContact C-N 3.33Å; E31-N33 PolarHBondContact O-N 2.73Å; E31-N33 PolarHBondContact OE2-ND2 2.82Å
32	P	27.1	Very low	29.9	Very low	120 Å²	120	120.9 Å²	120.9	78%	0.779	72%	0.718	S	S	*	*			trans	-75.1	86.8	177.7	29.6	-32	0	0	0	109	I30	I30-P32 WeakPolarHBondContact O-CD 3.37Å
33	N	26.6	Very low	30.1	Very low	117 Å²	117	119.7 Å²	119.7	63%	0.626	72%	0.72	S	S	*	*			trans	-133.4	99.8	-177.1	-82.8	-37.9	0	0	0	111.7	E31	E31-N33 VanDerWaalsContact C-N 3.33Å; E31-N33 PolarHBondContact O-N 2.73Å; E31-N33 PolarHBondContact OE2-ND2 2.82Å
34	L	25.9	Very low	30.5	Very low	158 Å²	158	119.6 Å²	119.6	83%	0.827	71%	0.714	S	S	*	*				173	122.9	125.6	-90.7	156.7	0	0	0	108.7	V36	L34-V36 PolarHBondContact O-N 2.7Å
35	P	24	Very low	31.1	Very low	128 Å²	128	114.1 Å²	114.1	83%	0.831	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-69.9	122.6	174.4	26.8	-30.4	0	0	0	110
36	V	27.4	Very low	31.8	Very low	122 Å²	122	116.1 Å²	116.1	74%	0.739	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-97	118.7	172.2	179.5	0	0	0	0	109.3	L34 G38	L34-V36 PolarHBondContact O-N 2.7Å; V36-G38 PolarHBondContact O-N 3.16Å
37	N	25	Very low	32.6	Very low	160 Å²	160	115 Å²	115	86%	0.856	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-57.5	121.9	166.2	-75.9	-37.2	0	0	0	110.6
38	G	27.4	Very low	33.9	Very low	72 Å²	72	119.2 Å²	119.2	74%	0.742	71%	0.712	S	S	*	*			trans	57.3	69.7	147.3	0	0	0	0	0	117.7	V36 S40	V36-G38 PolarHBondContact O-N 3.16Å; G38-S40 VanDerWaalsContact C-N 3.31Å; G38-S40 PolarHBondContact O-N 2.9Å
39	V	29.4	Very low	35.7	Very low	132 Å²	132	115.2 Å²	115.2	80%	0.8	70%	0.697	S	S	*	*			trans	-83.8	93.6	140.1	-174.7	0	0	0	0	105.3	G41	V39-G41 PolarHBondContact O-N 3.33Å; V39-G41 VanDerWaalsContact O-N 3.14Å
40	S	31.5	Very low	37.9	Very low	105 Å²	105	111.9 Å²	111.9	73%	0.734	67%	0.669	S	S	*	*			trans	-46.8	119.7	174.2	48.5	0	0	0	0	109.3	G38 V42	G38-S40 VanDerWaalsContact C-N 3.31Å; G38-S40 PolarHBondContact O-N 2.9Å; S40-V42 PolarHBondContact O-N 2.82Å
41	G	37	Very low	40.9	Very low	61 Å²	61	104.6 Å²	104.6	63%	0.629	63%	0.632	S	S	*	*			trans	-50.3	134	178.1	0	0	0	0	0	110.4	V39 D43	V39-G41 PolarHBondContact O-N 3.33Å; V39-G41 VanDerWaalsContact O-N 3.14Å; G41-D43 PolarHBondContact O-N 2.73Å
42	V	39.4	Very low	43.9	Very low	82 Å²	82	101.8 Å²	101.8	50%	0.497	62%	0.616	S	S	.	*			trans	-57.8	109.3	165.5	-179.5	0	0	0	0	106.2	S40 K44 P53	S40-V42 PolarHBondContact O-N 2.82Å; V42-K44 PolarHBondContact O-N 2.9Å; V42-P53 HydrophobicContact CG1-CG 4.02Å
43	D	41.5	Very low	47	Very low	151 Å²	151	98.4 Å²	98.4	81%	0.807	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-50.5	134.5	-176.8	-81.8	-42.3	0	0	0	110.5	G41	G41-D43 PolarHBondContact O-N 2.73Å
44	K	43.3	Very low	50.3	Low	127 Å²	127	95.6 Å²	95.6	55%	0.552	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-54.4	128.7	174.7	-166.5	176.7	-178	179.7	0	108.3	V42 S46 Y52	V42-K44 PolarHBondContact O-N 2.9Å; K44-S46 PolarHBondContact O-N 3.45Å; K44-Y52 VanDerWaalsContact CA-CE1 3.45Å; K44-Y52 HydrophobicContact CB-CE1 3.76Å; K44-Y52 VanDerWaalsContact CB-OH 3.31Å; K44-Y52 WeakPolarHBondContact CB-OH 3.05Å; K44-Y52 WeakPolarHBondContact CD-OH 3.4Å; K44-Y52 HydrophobicContact CG-CE1 4.04Å; K44-Y52 HydrophobicContact CG-CE2 4.29Å; K44-Y52 VanDerWaalsContact CG-OH 3.31Å; K44-Y52 WeakPolarHBondContact CG-OH 3.46Å
45	P	43.7	Very low	53.6	Low	45 Å²	45	92.2 Å²	92.2	29%	0.292	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-56.5	139.1	171.7	-19.6	30.2	0	0	0	109.1	S47 A50	P45-S47 PolarHBondContact O-N 3.35Å; P45-A50 HydrophobicContact CB-CB 3.79Å; P45-A50 HydrophobicContact CG-CB 3.91Å
46	S	48.5	Very low	57	Low	140 Å²	140	88.8 Å²	88.8	98%	0.979	53%	0.532	S	S	*	.	S	Bend	trans	-61.1	-1.2	-173.5	47.5	0	0	0	0	115.5	K44	K44-S46 PolarHBondContact O-N 3.45Å
47	S	50.1	Low	60	Low	55 Å²	55	87.8 Å²	87.8	39%	0.385	52%	0.519	S	S	.	.	S	Bend	trans	-107.3	137.9	178.6	107	0	0	0	0	111.9	P45 N49 A50	P45-S47 PolarHBondContact O-N 3.35Å; S47-N49 PolarHBondContact O-N 2.79Å; S47-N49 PolarHBondContact OG-N 3.15Å; S47-A50 PolarHBondContact O-N 3.35Å
48	N	57.6	Low	63.2	Low	151 Å²	151	86 Å²	86	81%	0.807	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-7.3	172	-84.5	-16.1	0	0	0	114.4
49	N	63	Low	66.4	Low	108 Å²	108	86.8 Å²	86.8	58%	0.578	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	22	-174.6	-74.4	-11.9	0	0	0	113.8	S47 M311	S47-N49 PolarHBondContact O-N 2.79Å; S47-N49 PolarHBondContact OG-N 3.15Å; N49-M311 HydrophobicContact CB-CG 4.14Å
50	A	75.4	Confident	69.4	Low	13 Å²	13	80.7 Å²	80.7	11%	0.107	46%	0.459	C	S	.	.			trans	-122.1	143.7	-179.8	0	0	0	0	0	112.3	P45 S47 N308	P45-A50 HydrophobicContact CB-CB 3.79Å; P45-A50 HydrophobicContact CG-CB 3.91Å; S47-A50 PolarHBondContact O-N 3.35Å; A50-N308 CarbonylContact C-O 3.52Å; A50-N308 WeakPolarHBondContact CA-O 3.35Å
51	Y	89	Confident	72.1	Confident	4 Å²	4	77.3 Å²	77.3	2%	0.016	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-82.9	153.2	166.8	-59.3	-74.8	0	0	0	110.8	L100 N104 R105 W306 N308 S310 M311	Y51-L100 VanDerWaalsContact CE1-O 3.29Å; Y51-L100 WeakPolarHBondContact CE1-O 3.19Å; Y51-N104 WeakPolarHBondContact CB-OD1 3.44Å; Y51-R105 HydrophobicContact CD1-CG 4.23Å; Y51-R105 HydrophobicContact CD2-CG 3.5Å; Y51-R105 HydrophobicContact CE1-CG 4.39Å; Y51-R105 HydrophobicContact CE2-CG 3.68Å; Y51-R105 HydrophobicContact CG-CG 3.8Å; Y51-W306 HydrophobicContact CE2-CZ2 4.15Å; Y51-W306 AromaticContact CE2-NE1 3.51Å; Y51-N308 PolarHBondContact N-O 3.26Å; Y51-S310 WeakPolarHBondContact CE2-O 3.06Å; Y51-M311 HydrophobicContact CE1-SD 4.35Å; Y51-M311 HydrophobicContact CE2-SD 4.15Å; Y51-M311 PolarHBondContact OH-O 3.15Å
52	Y	88.4	Confident	74.6	Confident	87 Å²	87	77.4 Å²	77.4	34%	0.341	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-64.9	141.3	165.3	-70.4	-85.9	0	0	0	110	K44 H54 N104	K44-Y52 VanDerWaalsContact CA-CE1 3.45Å; K44-Y52 HydrophobicContact CB-CE1 3.76Å; K44-Y52 VanDerWaalsContact CB-OH 3.31Å; K44-Y52 WeakPolarHBondContact CB-OH 3.05Å; K44-Y52 WeakPolarHBondContact CD-OH 3.4Å; K44-Y52 HydrophobicContact CG-CE1 4.04Å; K44-Y52 HydrophobicContact CG-CE2 4.29Å; K44-Y52 VanDerWaalsContact CG-OH 3.31Å; K44-Y52 WeakPolarHBondContact CG-OH 3.46Å; Y52-H54 PolarHBondContact O-N 2.96Å; Y52-N104 PolarHBondContact O-ND2 3.17Å; Y52-N104 VanDerWaalsContact O-ND2 3.15Å; Y52-N104 PolarHBondContact O-OD1 2.93Å
53	P	93.3	Very high	77.1	Confident	49 Å²	49	73.7 Å²	73.7	32%	0.318	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-50.7	142.3	165.8	-21.6	31	0	0	0	110.5	V42 N308	V42-P53 HydrophobicContact CG1-CG 4.02Å; P53-N308 WeakPolarHBondContact CG-ND2 3.39Å
54	H	95.5	Very high	79.2	Confident	58 Å²	58	68.2 Å²	68.2	27%	0.269	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-68.9	144.2	168.8	-69.7	150	0	0	0	109.5	Y52 N104 R105 V211	Y52-H54 PolarHBondContact O-N 2.96Å; H54-N104 PolarHBondContact CD2-ND2 3.14Å; H54-N104 VanDerWaalsContact CD2-ND2 3.28Å; H54-N104 PolarHBondContact CE1-O 2.98Å; H54-N104 PolarHBondContact NE2-O 3.23Å; H54-N104 PolarHBondContact NE2-OD1 3.35Å; H54-R105 PolarHBondContact CD2-NH2 3.08Å; H54-R105 PolarHBondContact CE1-NH2 2.72Å; H54-R105 VanDerWaalsContact CE1-NH2 3.29Å; H54-R105 PolarHBondContact ND1-NH2 3.35Å; H54-V211 VanDerWaalsContact CA-O 3.28Å; H54-V211 WeakPolarHBondContact CA-O 3.39Å
55	W	96	Very high	81	Confident	86 Å²	86	70.2 Å²	70.2	33%	0.326	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-67.6	161.6	171.1	-62.3	4.2	0	0	0	110.7	D59 L60 L69 M115 V211	W55-D59 HydrophobicContact CB-CB 4.24Å; W55-D59 HydrophobicContact CE3-CB 4.33Å; W55-L60 HydrophobicContact CB-CD2 3.73Å; W55-L60 HydrophobicContact CB-CG 4.17Å; W55-L60 HydrophobicContact CE3-CD2 4.35Å; W55-L60 HydrophobicContact CG-CD2 4.36Å; W55-L69 HydrophobicContact CE3-CD1 3.95Å; W55-L69 HydrophobicContact CH2-CD2 4.17Å; W55-L69 HydrophobicContact CZ3-CD1 3.76Å; W55-L69 HydrophobicContact CZ3-CD2 3.97Å; W55-L69 HydrophobicContact CZ3-CG 4.19Å; W55-M115 HydrophobicContact CH2-SD 4.1Å; W55-M115 HydrophobicContact CZ2-SD 4.22Å; W55-V211 HydrophobicContact CD2-CB 4.05Å; W55-V211 HydrophobicContact CD2-CG2 4.3Å; W55-V211 HydrophobicContact CE3-CG2 4.33Å; W55-V211 HydrophobicContact CG-CB 4.3Å; W55-V211 HydrophobicContact CZ2-CB 4.38Å; W55-V211 HydrophobicContact CZ2-CG1 4.03Å; W55-V211 PolarHBondContact N-O 3.16Å; W55-V211 VanDerWaalsContact N-O 3.11Å
56	S	95.7	Very high	83.1	Confident	56 Å²	56	72.3 Å²	72.3	39%	0.392	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.7	152.4	175.2	81.5	0	0	0	0	110.6	D58 D59 L60	S56-D58 PolarHBondContact O-N 2.76Å; S56-D59 WeakPolarHBondContact CB-OD2 3.38Å; S56-D59 PolarHBondContact O-N 2.89Å; S56-D59 VanDerWaalsContact O-N 3.14Å; S56-D59 PolarHBondContact OG-N 2.84Å; S56-D59 PolarHBondContact OG-OD2 2.81Å; S56-L60 WeakPolarHBondContact O-CG 3.33Å; S56-L60 PolarHBondContact O-N 3.42Å
57	H	90.1	Very high	84.7	Confident	102 Å²	102	68.3 Å²	68.3	47%	0.472	37%	0.368	S	S	.	.	H	α-helix	trans	-58.8	-36.9	-178.7	-170.6	75	0	0	0	112.4	L60 I61	H57-L60 PolarHBondContact O-N 2.81Å; H57-I61 VanDerWaalsContact CD2-CD1 3.46Å; H57-I61 WeakPolarHBondContact CD2-CD1 3.41Å; H57-I61 VanDerWaalsContact NE2-CD1 3.33Å; H57-I61 WeakPolarHBondContact NE2-CD1 3.3Å; H57-I61 WeakPolarHBondContact O-CG1 3.19Å; H57-I61 PolarHBondContact O-N 2.87Å
58	D	91.7	Very high	86.7	Confident	122 Å²	122	70 Å²	70	65%	0.652	38%	0.376	S	S	*	.	H	α-helix	trans	-67	-40.2	177.7	-66.5	-30.3	0	0	0	111.9	S56 L60 I61 S62	S56-D58 PolarHBondContact O-N 2.76Å; D58-L60 VanDerWaalsContact C-N 3.33Å; D58-L60 PolarHBondContact O-N 3.23Å; D58-I61 PolarHBondContact O-N 2.85Å; D58-S62 VanDerWaalsContact O-CB 3.23Å; D58-S62 WeakPolarHBondContact O-CB 3.32Å; D58-S62 PolarHBondContact O-N 3.11Å
59	D	95.2	Very high	88.4	Confident	88 Å²	88	63 Å²	63	47%	0.471	34%	0.338	S	S	.	.	H	α-helix	trans	-65.5	-38.2	175.1	-64.1	-40.4	0	0	0	111.5	W55 S56 S62 G63	W55-D59 HydrophobicContact CB-CB 4.24Å; W55-D59 HydrophobicContact CE3-CB 4.33Å; S56-D59 WeakPolarHBondContact CB-OD2 3.38Å; S56-D59 PolarHBondContact O-N 2.89Å; S56-D59 VanDerWaalsContact O-N 3.14Å; S56-D59 PolarHBondContact OG-N 2.84Å; S56-D59 PolarHBondContact OG-OD2 2.81Å; D59-S62 PolarHBondContact O-N 3.26Å; D59-G63 PolarHBondContact O-N 3.11Å
60	L	92.8	Very high	89.8	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-47.7	174.9	-63	180	0	0	0	111.1	W55 S56 H57 D58 G63 V64 L69 A113 V211 L214	W55-L60 HydrophobicContact CB-CD2 3.73Å; W55-L60 HydrophobicContact CB-CG 4.17Å; W55-L60 HydrophobicContact CE3-CD2 4.35Å; W55-L60 HydrophobicContact CG-CD2 4.36Å; S56-L60 WeakPolarHBondContact O-CG 3.33Å; S56-L60 PolarHBondContact O-N 3.42Å; H57-L60 PolarHBondContact O-N 2.81Å; D58-L60 VanDerWaalsContact C-N 3.33Å; D58-L60 PolarHBondContact O-N 3.23Å; L60-G63 PolarHBondContact O-N 3.4Å; L60-V64 VanDerWaalsContact O-CG2 3.28Å; L60-V64 WeakPolarHBondContact O-CG2 3.44Å; L60-V64 PolarHBondContact O-N 3.17Å; L60-L69 HydrophobicContact CD2-CD1 4.11Å; L60-A113 HydrophobicContact CD2-CB 3.79Å; L60-V211 HydrophobicContact CD2-CG2 3.77Å; L60-L214 HydrophobicContact CB-CD2 3.67Å; L60-L214 HydrophobicContact CD1-CD2 4.41Å
61	I	87.7	Confident	90.4	Very high	35 Å²	35	61.1 Å²	61.1	18%	0.179	33%	0.33	C	S	.	.	H	α-helix	trans	-62.1	-45.9	177.3	-71.1	172.4	0	0	0	110.5	H57 D58 V64 R65	H57-I61 VanDerWaalsContact CD2-CD1 3.46Å; H57-I61 WeakPolarHBondContact CD2-CD1 3.41Å; H57-I61 VanDerWaalsContact NE2-CD1 3.33Å; H57-I61 WeakPolarHBondContact NE2-CD1 3.3Å; H57-I61 WeakPolarHBondContact O-CG1 3.19Å; H57-I61 PolarHBondContact O-N 2.87Å; D58-I61 PolarHBondContact O-N 2.85Å; I61-V64 PolarHBondContact O-N 2.99Å; I61-R65 HydrophobicContact CG2-CG 4.29Å; I61-R65 WeakPolarHBondContact O-CB 3.23Å; I61-R65 VanDerWaalsContact O-CG 3.29Å; I61-R65 WeakPolarHBondContact O-CG 3.43Å; I61-R65 PolarHBondContact O-N 3.32Å
62	S	89.6	Confident	90.3	Very high	63 Å²	63	61.4 Å²	61.4	44%	0.441	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-46.8	178.9	-174.3	0	0	0	0	111.1	D58 D59 V64 R65 N66	D58-S62 VanDerWaalsContact O-CB 3.23Å; D58-S62 WeakPolarHBondContact O-CB 3.32Å; D58-S62 PolarHBondContact O-N 3.11Å; D59-S62 PolarHBondContact O-N 3.26Å; S62-V64 PolarHBondContact O-N 3.45Å; S62-R65 PolarHBondContact O-N 3.07Å; S62-N66 PolarHBondContact O-N 2.67Å; S62-N66 PolarHBondContact O-ND2 3.19Å; S62-N66 PolarHBondContact O-OD1 3.27Å
63	G	90.5	Very high	90.4	Very high	3 Å²	3	58.8 Å²	58.8	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-36.2	178.3	0	0	0	0	0	113.7	D59 L60 N66 G67 T68 L69	D59-G63 PolarHBondContact O-N 3.11Å; L60-G63 PolarHBondContact O-N 3.4Å; G63-N66 VanDerWaalsContact CA-OD1 3.31Å; G63-N66 WeakPolarHBondContact CA-OD1 3.3Å; G63-N66 PolarHBondContact O-OD1 3.05Å; G63-G67 PolarHBondContact O-N 2.92Å; G63-T68 VanDerWaalsContact CA-OG1 3.23Å; G63-T68 WeakPolarHBondContact CA-OG1 3.26Å; G63-T68 PolarHBondContact O-N 2.98Å; G63-T68 PolarHBondContact O-OG1 2.95Å; G63-L69 PolarHBondContact O-N 3.5Å
64	V	85.5	Confident	90.5	Very high	37 Å²	37	56.5 Å²	56.5	22%	0.224	31%	0.311	C	S	.	.	H	α-helix	trans	-71.2	-42.2	173.7	173	0	0	0	0	111	L60 I61 S62 N66 G67 L69 A113 L214	L60-V64 VanDerWaalsContact O-CG2 3.28Å; L60-V64 WeakPolarHBondContact O-CG2 3.44Å; L60-V64 PolarHBondContact O-N 3.17Å; I61-V64 PolarHBondContact O-N 2.99Å; S62-V64 PolarHBondContact O-N 3.45Å; V64-N66 PolarHBondContact O-N 2.86Å; V64-G67 PolarHBondContact O-N 3.17Å; V64-L69 HydrophobicContact CG2-CB 4Å; V64-A113 HydrophobicContact CG2-CB 4.45Å; V64-L214 HydrophobicContact CG2-CD1 4.12Å
65	R	81.4	Confident	90.4	Very high	168 Å²	168	58.6 Å²	58.6	63%	0.634	32%	0.317	S	S	*	.	H	α-helix	trans	-65.4	-38.1	-179.8	-77.6	178.1	178.1	168.6	2.2	113	I61 S62 G67	I61-R65 HydrophobicContact CG2-CG 4.29Å; I61-R65 WeakPolarHBondContact O-CB 3.23Å; I61-R65 VanDerWaalsContact O-CG 3.29Å; I61-R65 WeakPolarHBondContact O-CG 3.43Å; I61-R65 PolarHBondContact O-N 3.32Å; S62-R65 PolarHBondContact O-N 3.07Å; R65-G67 VanDerWaalsContact C-N 3.32Å
66	N	87.5	Confident	90.3	Very high	90 Å²	90	55 Å²	55	48%	0.481	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.6	179	72.2	16.4	0	0	0	113.3	S62 G63 V64 T68	S62-N66 PolarHBondContact O-N 2.67Å; S62-N66 PolarHBondContact O-ND2 3.19Å; S62-N66 PolarHBondContact O-OD1 3.27Å; G63-N66 VanDerWaalsContact CA-OD1 3.31Å; G63-N66 WeakPolarHBondContact CA-OD1 3.3Å; G63-N66 PolarHBondContact O-OD1 3.05Å; V64-N66 PolarHBondContact O-N 2.86Å; N66-T68 VanDerWaalsContact C-N 3.34Å; N66-T68 PolarHBondContact O-N 3.41Å; N66-T68 WeakPolarHBondContact OD1-CB 3.34Å; N66-T68 VanDerWaalsContact OD1-CG2 3.29Å; N66-T68 WeakPolarHBondContact OD1-CG2 3.47Å; N66-T68 PolarHBondContact OD1-N 3.18Å; N66-T68 PolarHBondContact OD1-OG1 2.87Å
67	G	83.8	Confident	90.2	Very high	56 Å²	56	54.5 Å²	54.5	58%	0.577	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	3.5	175.9	0	0	0	0	0	115.8	G63 V64 R65 L69	G63-G67 PolarHBondContact O-N 2.92Å; V64-G67 PolarHBondContact O-N 3.17Å; R65-G67 VanDerWaalsContact C-N 3.32Å; G67-L69 VanDerWaalsContact C-N 3.3Å
68	T	91.2	Very high	90.1	Very high	90 Å²	90	53.1 Å²	53.1	55%	0.552	30%	0.297	S	S	*	.	S	Bend	trans	-72.8	-24.4	175.3	56.3	0	0	0	0	113.1	G63 N66	G63-T68 VanDerWaalsContact CA-OG1 3.23Å; G63-T68 WeakPolarHBondContact CA-OG1 3.26Å; G63-T68 PolarHBondContact O-N 2.98Å; G63-T68 PolarHBondContact O-OG1 2.95Å; N66-T68 VanDerWaalsContact C-N 3.34Å; N66-T68 PolarHBondContact O-N 3.41Å; N66-T68 WeakPolarHBondContact OD1-CB 3.34Å; N66-T68 VanDerWaalsContact OD1-CG2 3.29Å; N66-T68 WeakPolarHBondContact OD1-CG2 3.47Å; N66-T68 PolarHBondContact OD1-N 3.18Å; N66-T68 PolarHBondContact OD1-OG1 2.87Å
69	L	93.6	Very high	89.8	Confident	5 Å²	5	57 Å²	57	3%	0.026	31%	0.308	C	S	.	.	S	Bend	trans	-118.2	139.7	175.1	-58.6	177.5	0	0	0	110.3	W55 L60 G63 V64 G67 A113 M115 V211	W55-L69 HydrophobicContact CE3-CD1 3.95Å; W55-L69 HydrophobicContact CH2-CD2 4.17Å; W55-L69 HydrophobicContact CZ3-CD1 3.76Å; W55-L69 HydrophobicContact CZ3-CD2 3.97Å; W55-L69 HydrophobicContact CZ3-CG 4.19Å; L60-L69 HydrophobicContact CD2-CD1 4.11Å; G63-L69 PolarHBondContact O-N 3.5Å; V64-L69 HydrophobicContact CG2-CB 4Å; G67-L69 VanDerWaalsContact C-N 3.3Å; L69-A113 HydrophobicContact CB-CB 4.48Å; L69-A113 HydrophobicContact CD1-CB 4.08Å; L69-M115 HydrophobicContact CD2-CB 3.78Å; L69-M115 HydrophobicContact CD2-CG 4.28Å; L69-V211 HydrophobicContact CD1-CG2 3.8Å; L69-V211 HydrophobicContact CD2-CG2 3.65Å; L69-V211 HydrophobicContact CG-CG2 4.36Å
70	L	91.1	Very high	89.5	Confident	29 Å²	29	55.4 Å²	55.4	15%	0.152	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	148.2	167.2	-59.8	176.8	0	0	0	109.4	P89 V95 A113 V114 L116	L70-P89 HydrophobicContact CD2-CG 4.1Å; L70-V95 HydrophobicContact CD1-CG2 3.7Å; L70-A113 CarbonylContact O-C 3.49Å; L70-A113 VanDerWaalsContact O-CA 3.27Å; L70-A113 WeakPolarHBondContact O-CA 3.35Å; L70-V114 HydrophobicContact CB-CB 4.45Å; L70-V114 PolarHBondContact N-O 3.32Å; L70-V114 PolarHBondContact O-N 2.93Å; L70-L116 HydrophobicContact CD1-CD1 4.03Å; L70-L116 HydrophobicContact CD1-CD2 3.71Å; L70-L116 HydrophobicContact CD1-CG 3.85Å
71	S	89.1	Confident	89.4	Confident	51 Å²	51	59.3 Å²	59.3	36%	0.357	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.5	171.3	65.1	0	0	0	0	111.3	V112	S71-V112 VanDerWaalsContact CA-O 3.3Å; S71-V112 WeakPolarHBondContact CA-O 3.4Å
72	G	87.4	Confident	89.5	Confident	10 Å²	10	60 Å²	60	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	176.2	172.5	0	0	0	0	0	114	V112	G72-V112 PolarHBondContact N-O 2.9Å; G72-V112 VanDerWaalsContact N-O 3.14Å; G72-V112 WeakPolarHBondContact O-CG2 3.27Å; G72-V112 PolarHBondContact O-N 2.67Å
73	N	90	Very high	89.7	Confident	33 Å²	33	57.7 Å²	57.7	18%	0.176	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.2	-174.9	-51.9	3.6	0	0	0	110	R75 D110 I111 E822	N73-R75 PolarHBondContact O-N 3.24Å; N73-D110 WeakPolarHBondContact CA-O 3.47Å; N73-I111 HydrophobicContact CB-CD1 4.44Å; N73-I111 WeakPolarHBondContact OD1-CD1 3.44Å; N73-E822 PolarHBondContact ND2-OE2 3.33Å; N73-E822 PolarHBondContact OD1-OE2 2.97Å
74	L	94.9	Very high	89.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.3	C	S	.	.			trans	-75.2	114.8	175.3	-178.1	64.3	0	0	0	110.8	I76 V86 I97 A106 N109 D110 V112	L74-I76 HydrophobicContact CD2-CD1 4.03Å; L74-I76 HydrophobicContact CD2-CG1 4.26Å; L74-I76 HydrophobicContact CG-CD1 4.28Å; L74-I76 HydrophobicContact CG-CG1 4.11Å; L74-V86 HydrophobicContact CD1-CG2 4.06Å; L74-I97 HydrophobicContact CD1-CG1 4.17Å; L74-A106 HydrophobicContact CD2-CB 3.53Å; L74-N109 PolarHBondContact O-N 2.84Å; L74-D110 PolarHBondContact N-O 3.27Å; L74-V112 HydrophobicContact CB-CG1 4.18Å; L74-V112 HydrophobicContact CB-CG2 4.05Å
75	R	93.5	Very high	90.5	Very high	102 Å²	102	58 Å²	58	39%	0.385	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.8	169.5	-67.3	-178	-69.9	151.7	-3	109.6	N73 G84 Y85 D94	N73-R75 PolarHBondContact O-N 3.24Å; R75-G84 CarbonylContact O-C 3.58Å; R75-G84 VanDerWaalsContact O-CA 3.24Å; R75-G84 WeakPolarHBondContact O-CA 3.42Å; R75-Y85 PolarHBondContact N-O 3.11Å; R75-Y85 PolarHBondContact O-N 2.84Å; R75-D94 IonicContact CZ-OD2 3.24Å; R75-D94 IonicContact NH1-OD2 3.33Å; R75-D94 IonicContact NH2-OD1 2.68Å; R75-D94 PolarHBondContact NH2-OD1 2.76Å; R75-D94 IonicContact NH2-OD2 3.72Å; R75-D94 PolarHBondContact NH2-OD2 2.77Å
76	I	95	Very high	91.1	Very high	11 Å²	11	50 Å²	50	6%	0.056	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.6	179.7	-66.8	150.9	0	0	0	109.3	L74 P78 F81 P108 R272	L74-I76 HydrophobicContact CD2-CD1 4.03Å; L74-I76 HydrophobicContact CD2-CG1 4.26Å; L74-I76 HydrophobicContact CG-CD1 4.28Å; L74-I76 HydrophobicContact CG-CG1 4.11Å; I76-P78 WeakPolarHBondContact O-CD 3.18Å; I76-F81 HydrophobicContact CG2-CB 4.32Å; I76-F81 VanDerWaalsContact CG2-O 3.28Å; I76-F81 WeakPolarHBondContact CG2-O 3.43Å; I76-P108 HydrophobicContact CD1-CB 4.34Å; I76-P108 HydrophobicContact CD1-CG 3.71Å; I76-R272 HydrophobicContact CB-CB 4.33Å; I76-R272 HydrophobicContact CB-CG 4.35Å; I76-R272 HydrophobicContact CG2-CB 3.91Å; I76-R272 HydrophobicContact CG2-CG 3.94Å; I76-R272 WeakPolarHBondContact O-CD 3.43Å
77	N	92.2	Very high	91.1	Very high	46 Å²	46	51.1 Å²	51.1	25%	0.246	27%	0.269	C	S	.	.			trans	-72.3	118.1	178.6	178.1	-3.7	0	0	0	110.5	K79 N80 F81 D83 Y85	N77-K79 VanDerWaalsContact C-N 3.25Å; N77-K79 PolarHBondContact O-N 2.98Å; N77-K79 PolarHBondContact OD1-N 3.25Å; N77-N80 WeakPolarHBondContact CB-O 3.32Å; N77-N80 CarbonylContact O-C 3.5Å; N77-N80 PolarHBondContact O-N 3.37Å; N77-N80 VanDerWaalsContact O-O 3.1Å; N77-N80 PolarHBondContact OD1-N 3.07Å; N77-F81 WeakPolarHBondContact O-CA 3.26Å; N77-F81 PolarHBondContact O-N 2.98Å; N77-F81 VanDerWaalsContact O-N 3.12Å; N77-D83 HydrophobicContact CB-CB 4.06Å; N77-D83 PolarHBondContact N-O 2.92Å; N77-Y85 HydrophobicContact CB-CE2 4.37Å
78	P	87.9	Confident	91.2	Very high	73 Å²	73	49.2 Å²	49.2	47%	0.474	25%	0.245	S	C	.	.	S	Bend	trans	-66.9	-23.9	-178.8	26.8	-34.6	0	0	0	113.9	I76 T271 R272	I76-P78 WeakPolarHBondContact O-CD 3.18Å; P78-T271 PolarHBondContact O-OG1 3.31Å; P78-R272 HydrophobicContact CB-CG 4.05Å
79	K	85.9	Confident	90.4	Very high	203 Å²	203	47.9 Å²	47.9	88%	0.883	24%	0.238	S	C	*	.	S	Bend	trans	-82.7	-29.7	177.3	-64.2	-176.6	179.1	179.8	0	112.7	N77	N77-K79 VanDerWaalsContact C-N 3.25Å; N77-K79 PolarHBondContact O-N 2.98Å; N77-K79 PolarHBondContact OD1-N 3.25Å
80	N	89.5	Confident	89.5	Confident	54 Å²	54	49.5 Å²	49.5	29%	0.289	25%	0.251	S	S	.	.	S	Bend	trans	-136.6	83.3	176	-173.6	11.7	0	0	0	108.8	N77 E82 D83	N77-N80 WeakPolarHBondContact CB-O 3.32Å; N77-N80 CarbonylContact O-C 3.5Å; N77-N80 PolarHBondContact O-N 3.37Å; N77-N80 VanDerWaalsContact O-O 3.1Å; N77-N80 PolarHBondContact OD1-N 3.07Å; N80-E82 PolarHBondContact O-N 3.17Å; N80-D83 PolarHBondContact ND2-OD1 2.91Å; N80-D83 PolarHBondContact ND2-OD2 2.76Å; N80-D83 WeakPolarHBondContact O-CB 3.44Å; N80-D83 PolarHBondContact O-N 3.48Å
81	F	89.9	Confident	88.5	Confident	86 Å²	86	50.5 Å²	50.5	38%	0.377	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.8	-169.3	63.5	-97.4	0	0	0	114.5	I76 N77 D83 L100 R103 T271	I76-F81 HydrophobicContact CG2-CB 4.32Å; I76-F81 VanDerWaalsContact CG2-O 3.28Å; I76-F81 WeakPolarHBondContact CG2-O 3.43Å; N77-F81 WeakPolarHBondContact O-CA 3.26Å; N77-F81 PolarHBondContact O-N 2.98Å; N77-F81 VanDerWaalsContact O-N 3.12Å; F81-D83 VanDerWaalsContact C-N 3.33Å; F81-L100 HydrophobicContact CD2-CD2 3.94Å; F81-L100 HydrophobicContact CE2-CD1 4.11Å; F81-L100 HydrophobicContact CE2-CD2 4.02Å; F81-L100 HydrophobicContact CE2-CG 4.27Å; F81-R103 PolarHBondContact O-NH1 3.31Å; F81-T271 VanDerWaalsContact CB-O 3.22Å; F81-T271 WeakPolarHBondContact CB-O 3.16Å; F81-T271 WeakPolarHBondContact CG-O 3.4Å
82	E	89.9	Confident	88.1	Confident	49 Å²	49	49.7 Å²	49.7	23%	0.229	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-25.3	174	-56.2	-170.3	83.9	0	0	112.3	N80 G84 L100 R147	N80-E82 PolarHBondContact O-N 3.17Å; E82-G84 PolarHBondContact O-N 3.39Å; E82-L100 HydrophobicContact CG-CG 4.17Å; E82-R147 VanDerWaalsContact CD-NH1 3.31Å; E82-R147 IonicContact OE1-CZ 3.09Å; E82-R147 IonicContact OE1-NH1 3.97Å; E82-R147 PolarHBondContact OE1-NH1 2.79Å; E82-R147 VanDerWaalsContact OE1-NH1 3.08Å; E82-R147 IonicContact OE1-NH2 3.78Å; E82-R147 PolarHBondContact OE1-NH2 3.43Å; E82-R147 IonicContact OE2-CZ 3.35Å; E82-R147 VanDerWaalsContact OE2-CZ 3.26Å; E82-R147 IonicContact OE2-NH1 2.94Å; E82-R147 PolarHBondContact OE2-NH1 3.11Å; E82-R147 IonicContact OE2-NH2 3.8Å; E82-R147 PolarHBondContact OE2-NH2 2.88Å
83	D	93.1	Very high	88	Confident	15 Å²	15	50 Å²	50	8%	0.08	26%	0.262	C	S	.	.			trans	-80.1	114.2	177.5	-66.1	-21.8	0	0	0	110.3	N77 N80 F81 Y85 Y96	N77-D83 HydrophobicContact CB-CB 4.06Å; N77-D83 PolarHBondContact N-O 2.92Å; N80-D83 PolarHBondContact ND2-OD1 2.91Å; N80-D83 PolarHBondContact ND2-OD2 2.76Å; N80-D83 WeakPolarHBondContact O-CB 3.44Å; N80-D83 PolarHBondContact O-N 3.48Å; F81-D83 VanDerWaalsContact C-N 3.33Å; D83-Y85 HydrophobicContact CB-CE2 3.89Å; D83-Y96 HydrophobicContact CB-CE2 3.96Å; D83-Y96 PolarHBondContact OD1-OH 2.81Å
84	G	96.2	Very high	88.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	157.7	169.8	0	0	0	0	0	112.2	R75 E82 I97	R75-G84 CarbonylContact O-C 3.58Å; R75-G84 VanDerWaalsContact O-CA 3.24Å; R75-G84 WeakPolarHBondContact O-CA 3.42Å; E82-G84 PolarHBondContact O-N 3.39Å; G84-I97 PolarHBondContact N-O 3.23Å; G84-I97 PolarHBondContact O-N 2.83Å
85	Y	96.4	Very high	88.2	Confident	46 Å²	46	50.3 Å²	50.3	18%	0.18	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	134.1	179.8	-57.5	-88.8	0	0	0	109.9	R75 N77 D83 D94 V95 Y96	R75-Y85 PolarHBondContact N-O 3.11Å; R75-Y85 PolarHBondContact O-N 2.84Å; N77-Y85 HydrophobicContact CB-CE2 4.37Å; D83-Y85 HydrophobicContact CB-CE2 3.89Å; Y85-D94 HydrophobicContact CD1-CB 4.23Å; Y85-V95 WeakPolarHBondContact CA-O 3.34Å; Y85-Y96 HydrophobicContact CD1-CD2 4.16Å; Y85-Y96 AromaticContact CE1-CD2 3.6Å; Y85-Y96 HydrophobicContact CE1-CD2 3.6Å; Y85-Y96 HydrophobicContact CE1-CE2 4.21Å; Y85-Y96 AromaticContact CZ-CD2 3.93Å
86	V	94.4	Very high	88.4	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.1	170.8	177	0	0	0	0	107.8	L74 H88 D94 V95 I97 V112 V114	L74-V86 HydrophobicContact CD1-CG2 4.06Å; V86-H88 PolarHBondContact O-N 3.26Å; V86-D94 CarbonylContact O-C 3.55Å; V86-D94 WeakPolarHBondContact O-CA 3.32Å; V86-V95 PolarHBondContact N-O 2.94Å; V86-V95 PolarHBondContact O-N 3.48Å; V86-I97 HydrophobicContact CG2-CG1 4.47Å; V86-V112 HydrophobicContact CG2-CG2 3.65Å; V86-V114 HydrophobicContact CB-CG2 4.29Å; V86-V114 HydrophobicContact CG1-CG2 4.4Å; V86-V114 HydrophobicContact CG2-CG2 3.86Å
87	K	87.5	Confident	88.5	Confident	114 Å²	114	45 Å²	45	50%	0.496	24%	0.243	S	C	.	.			trans	-63.4	130.8	178.2	-73.7	-173.3	176	-176.8	0	109.7	D94	K87-D94 WeakPolarHBondContact CA-OD1 3.35Å; K87-D94 WeakPolarHBondContact CG-OD1 3.4Å
88	H	86.7	Confident	88.6	Confident	17 Å²	17	43.3 Å²	43.3	8%	0.079	24%	0.235	C	C	.	.			trans	-74.8	138.3	171.4	-169.4	-106.3	0	0	0	109.5	V86 A90 G91 D92 A93 V95 D183 R206	V86-H88 PolarHBondContact O-N 3.26Å; H88-A90 WeakPolarHBondContact ND1-CB 3.33Å; H88-A90 PolarHBondContact ND1-N 3.21Å; H88-A90 PolarHBondContact O-N 3.03Å; H88-G91 PolarHBondContact O-N 3.07Å; H88-D92 WeakPolarHBondContact CB-OD1 3.03Å; H88-D92 IonicContact CG-OD1 2.74Å; H88-D92 IonicContact ND1-OD1 3.32Å; H88-D92 PolarHBondContact ND1-OD1 3.39Å; H88-A93 WeakPolarHBondContact CB-O 3.42Å; H88-V95 HydrophobicContact CB-CG2 4.26Å; H88-D183 IonicContact CE1-OD2 3.1Å; H88-D183 IonicContact NE2-OD2 3.29Å; H88-R206 PolarHBondContact NE2-NE 3.03Å
89	P	74.4	Confident	88.7	Confident	62 Å²	62	41.8 Å²	41.8	40%	0.403	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-37.2	-177.9	-28.8	36.2	0	0	0	113.5	L70 G91 P752 L755	L70-P89 HydrophobicContact CD2-CG 4.1Å; P89-G91 PolarHBondContact O-N 3.24Å; P89-P752 WeakPolarHBondContact O-CG 3.36Å; P89-L755 WeakPolarHBondContact O-CD1 3.4Å
90	A	73.6	Confident	88.9	Confident	38 Å²	38	34.2 Å²	34.2	31%	0.314	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.8	178.3	0	0	0	0	0	113.9	H88 D92 L755	H88-A90 WeakPolarHBondContact ND1-CB 3.33Å; H88-A90 PolarHBondContact ND1-N 3.21Å; H88-A90 PolarHBondContact O-N 3.03Å; A90-D92 PolarHBondContact O-N 3.26Å; A90-L755 WeakPolarHBondContact O-CD2 3.3Å
91	G	70	Confident	89	Confident	51 Å²	51	33.8 Å²	33.8	53%	0.526	20%	0.197	S	C	.	.	S	Bend	trans	73	15.3	177.5	0	0	0	0	0	114.2	H88 P89	H88-G91 PolarHBondContact O-N 3.07Å; P89-G91 PolarHBondContact O-N 3.24Å
92	D	81.5	Confident	89.2	Confident	34 Å²	34	30.7 Å²	30.7	18%	0.182	19%	0.186	C	C	.	.	S	Bend	trans	-87.4	-143.9	173.2	62.5	-17.5	0	0	0	111.1	H88 A90 D94 W201 R206	H88-D92 WeakPolarHBondContact CB-OD1 3.03Å; H88-D92 IonicContact CG-OD1 2.74Å; H88-D92 IonicContact ND1-OD1 3.32Å; H88-D92 PolarHBondContact ND1-OD1 3.39Å; A90-D92 PolarHBondContact O-N 3.26Å; D92-D94 PolarHBondContact O-N 3.46Å; D92-W201 HydrophobicContact CB-CB 4.4Å; D92-W201 HydrophobicContact CB-CD2 4.01Å; D92-W201 HydrophobicContact CB-CG 3.78Å; D92-R206 IonicContact OD1-NH1 3.31Å; D92-R206 PolarHBondContact OD1-NH1 3.46Å; D92-R206 IonicContact OD2-CZ 3.9Å; D92-R206 VanDerWaalsContact OD2-CZ 3.3Å; D92-R206 IonicContact OD2-NH1 2.88Å; D92-R206 PolarHBondContact OD2-NH1 3.21Å; D92-R206 IonicContact OD2-NH2 2.67Å; D92-R206 PolarHBondContact OD2-NH2 3.01Å
93	A	86.3	Confident	89.5	Confident	16 Å²	16	28.7 Å²	28.7	13%	0.132	18%	0.176	C	C	.	.	S	Bend	trans	-64.8	134.7	-179.8	0	0	0	0	0	111.7	H88 F125 W201	H88-A93 WeakPolarHBondContact CB-O 3.42Å; A93-F125 HydrophobicContact CB-CE2 4.41Å; A93-F125 HydrophobicContact CB-CZ 4.32Å; A93-W201 HydrophobicContact CB-CB 4.28Å; A93-W201 WeakPolarHBondContact CB-O 3.39Å
94	D	92.7	Very high	89.6	Confident	39 Å²	39	28.1 Å²	28.1	21%	0.209	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-55.5	148.3	174.6	-67.1	-37.7	0	0	0	111.6	R75 Y85 V86 K87 D92 Y96 Q205	R75-D94 IonicContact CZ-OD2 3.24Å; R75-D94 IonicContact NH1-OD2 3.33Å; R75-D94 IonicContact NH2-OD1 2.68Å; R75-D94 PolarHBondContact NH2-OD1 2.76Å; R75-D94 IonicContact NH2-OD2 3.72Å; R75-D94 PolarHBondContact NH2-OD2 2.77Å; Y85-D94 HydrophobicContact CD1-CB 4.23Å; V86-D94 CarbonylContact O-C 3.55Å; V86-D94 WeakPolarHBondContact O-CA 3.32Å; K87-D94 WeakPolarHBondContact CA-OD1 3.35Å; K87-D94 WeakPolarHBondContact CG-OD1 3.4Å; D92-D94 PolarHBondContact O-N 3.46Å; D94-Y96 PolarHBondContact O-N 2.88Å; D94-Q205 WeakPolarHBondContact O-CG 3.44Å; D94-Q205 PolarHBondContact O-NE2 2.95Å
95	V	96.5	Very high	89.5	Confident	1 Å²	1	30 Å²	30	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.8	166.3	-174.9	0	0	0	0	109	L70 Y85 V86 H88 I97 V114 L116 R206	L70-V95 HydrophobicContact CD1-CG2 3.7Å; Y85-V95 WeakPolarHBondContact CA-O 3.34Å; V86-V95 PolarHBondContact N-O 2.94Å; V86-V95 PolarHBondContact O-N 3.48Å; H88-V95 HydrophobicContact CB-CG2 4.26Å; V95-I97 HydrophobicContact CG1-CD1 4.38Å; V95-V114 HydrophobicContact CG1-CG1 3.97Å; V95-L116 HydrophobicContact CG1-CD2 3.65Å; V95-L116 HydrophobicContact CG2-CD2 4.02Å; V95-R206 CarbonylContact C-O 3.4Å; V95-R206 WeakPolarHBondContact CA-O 3.46Å; V95-R206 HydrophobicContact CG1-CB 4.47Å; V95-R206 HydrophobicContact CG2-CB 4.28Å
96	Y	97.8	Very high	89.5	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.3	179.5	-179.8	-130.2	0	0	0	111.4	D83 Y85 D94 S98 R123 Y148 R206 T207 G208	D83-Y96 HydrophobicContact CB-CE2 3.96Å; D83-Y96 PolarHBondContact OD1-OH 2.81Å; Y85-Y96 HydrophobicContact CD1-CD2 4.16Å; Y85-Y96 AromaticContact CE1-CD2 3.6Å; Y85-Y96 HydrophobicContact CE1-CD2 3.6Å; Y85-Y96 HydrophobicContact CE1-CE2 4.21Å; Y85-Y96 AromaticContact CZ-CD2 3.93Å; D94-Y96 PolarHBondContact O-N 2.88Å; Y96-S98 VanDerWaalsContact CE1-CB 3.44Å; Y96-R123 HydrophobicContact CD1-CB 4.1Å; Y96-Y148 AromaticContact CE1-CD1 3.74Å; Y96-Y148 HydrophobicContact CE1-CD1 3.74Å; Y96-Y148 HydrophobicContact CE1-CE1 4.07Å; Y96-Y148 HydrophobicContact CE1-CG 4.04Å; Y96-R206 PolarHBondContact N-O 2.89Å; Y96-T207 WeakPolarHBondContact O-CA 3.38Å; Y96-G208 PolarHBondContact O-N 2.77Å
97	I	97	Very high	89.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.3	173.6	-49	-58.3	0	0	0	107.1	L74 G84 V86 V95 S102 R103 V114 G208	L74-I97 HydrophobicContact CD1-CG1 4.17Å; G84-I97 PolarHBondContact N-O 3.23Å; G84-I97 PolarHBondContact O-N 2.83Å; V86-I97 HydrophobicContact CG2-CG1 4.47Å; V95-I97 HydrophobicContact CG1-CD1 4.38Å; I97-S102 VanDerWaalsContact CG2-C 3.48Å; I97-S102 WeakPolarHBondContact CG2-O 3.47Å; I97-R103 HydrophobicContact CG2-CB 4.37Å; I97-R103 HydrophobicContact CG2-CG 3.76Å; I97-V114 HydrophobicContact CD1-CG1 3.82Å; I97-V114 HydrophobicContact CD1-CG2 4.22Å; I97-G208 VanDerWaalsContact CD1-O 3.28Å; I97-G208 WeakPolarHBondContact CD1-O 3.47Å
98	S	92.7	Very high	89.7	Confident	10 Å²	10	22.8 Å²	22.8	7%	0.07	15%	0.15	C	C	.	.			trans	-87.9	-17	-158	59.5	0	0	0	0	116.2	Y96 R147	Y96-S98 VanDerWaalsContact CE1-CB 3.44Å; S98-R147 WeakPolarHBondContact O-CD 3.27Å; S98-R147 PolarHBondContact O-NH1 2.79Å
99	T	91.6	Very high	89.8	Confident	40 Å²	40	24.3 Å²	24.3	25%	0.245	16%	0.159	C	C	.	.	S	Bend	trans	-144.2	163.5	-173.5	72.5	0	0	0	0	112.3	A101 S102 R103	T99-A101 VanDerWaalsContact C-N 3.27Å; T99-A101 PolarHBondContact O-N 2.91Å; T99-A101 PolarHBondContact OG1-N 3.27Å; T99-S102 PolarHBondContact O-N 3.31Å; T99-S102 WeakPolarHBondContact OG1-CB 3.41Å; T99-S102 PolarHBondContact OG1-N 2.83Å; T99-S102 PolarHBondContact OG1-OG 3.25Å; T99-R103 WeakPolarHBondContact O-CG 3.34Å; T99-R103 PolarHBondContact O-N 3.19Å
100	L	90.2	Very high	90.7	Very high	45 Å²	45	21.4 Å²	21.4	24%	0.236	14%	0.14	C	C	.	.	H	α-helix	trans	-53.4	-46.6	167	-70.9	-179.9	0	0	0	111.3	Y51 F81 E82 S102 R103 N104 M311	Y51-L100 VanDerWaalsContact CE1-O 3.29Å; Y51-L100 WeakPolarHBondContact CE1-O 3.19Å; F81-L100 HydrophobicContact CD2-CD2 3.94Å; F81-L100 HydrophobicContact CE2-CD1 4.11Å; F81-L100 HydrophobicContact CE2-CD2 4.02Å; F81-L100 HydrophobicContact CE2-CG 4.27Å; E82-L100 HydrophobicContact CG-CG 4.17Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.8Å; L100-R103 WeakPolarHBondContact O-CB 3.45Å; L100-R103 PolarHBondContact O-N 2.74Å; L100-N104 PolarHBondContact O-N 2.94Å; L100-M311 HydrophobicContact CB-CE 3.94Å; L100-M311 HydrophobicContact CD1-CE 3.88Å
101	A	91.1	Very high	91.6	Very high	44 Å²	44	20 Å²	20	36%	0.364	13%	0.128	S	C	.	.	H	α-helix	trans	-57.8	-44.3	179	0	0	0	0	0	111.8	T99 R103 N104	T99-A101 VanDerWaalsContact C-N 3.27Å; T99-A101 PolarHBondContact O-N 2.91Å; T99-A101 PolarHBondContact OG1-N 3.27Å; A101-R103 VanDerWaalsContact C-N 3.32Å; A101-R103 PolarHBondContact O-N 3.03Å; A101-N104 WeakPolarHBondContact O-CA 3.36Å; A101-N104 PolarHBondContact O-N 3.47Å
102	S	94.3	Very high	92.8	Very high	21 Å²	21	17.6 Å²	17.6	15%	0.147	10%	0.103	C	C	.	.	H	α-helix	trans	-68.5	-27.5	176.6	-52.8	0	0	0	0	113	I97 T99 L100 N104 H209 V210	I97-S102 VanDerWaalsContact CG2-C 3.48Å; I97-S102 WeakPolarHBondContact CG2-O 3.47Å; T99-S102 PolarHBondContact O-N 3.31Å; T99-S102 WeakPolarHBondContact OG1-CB 3.41Å; T99-S102 PolarHBondContact OG1-N 2.83Å; T99-S102 PolarHBondContact OG1-OG 3.25Å; L100-S102 VanDerWaalsContact C-N 3.32Å; L100-S102 PolarHBondContact O-N 2.8Å; S102-N104 PolarHBondContact O-N 3.22Å; S102-H209 WeakPolarHBondContact O-CA 3.38Å; S102-V210 PolarHBondContact O-N 2.78Å
103	R	94.6	Very high	93.5	Very high	7 Å²	7	16 Å²	16	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-68.3	-20.3	169.6	-71.8	173.1	50.2	-171.9	-7.8	112.2	F81 I97 T99 L100 A101 R105 A106 R272	F81-R103 PolarHBondContact O-NH1 3.31Å; I97-R103 HydrophobicContact CG2-CB 4.37Å; I97-R103 HydrophobicContact CG2-CG 3.76Å; T99-R103 WeakPolarHBondContact O-CG 3.34Å; T99-R103 PolarHBondContact O-N 3.19Å; L100-R103 WeakPolarHBondContact O-CB 3.45Å; L100-R103 PolarHBondContact O-N 2.74Å; A101-R103 VanDerWaalsContact C-N 3.32Å; A101-R103 PolarHBondContact O-N 3.03Å; R103-R105 PolarHBondContact O-N 3.18Å; R103-A106 PolarHBondContact NH2-O 3.38Å; R103-A106 VanDerWaalsContact O-CB 3.23Å; R103-A106 WeakPolarHBondContact O-CB 3.41Å; R103-A106 PolarHBondContact O-N 2.93Å; R103-R272 PolarHBondContact NH1-O 3.38Å; R103-R272 PolarHBondContact NH2-O 3.29Å
104	N	95.7	Very high	94	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.016	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	43	61.2	176.1	-166.7	-1	0	0	0	113	Y51 Y52 H54 L100 A101 S102 A106 V210	Y51-N104 WeakPolarHBondContact CB-OD1 3.44Å; Y52-N104 PolarHBondContact O-ND2 3.17Å; Y52-N104 VanDerWaalsContact O-ND2 3.15Å; Y52-N104 PolarHBondContact O-OD1 2.93Å; H54-N104 PolarHBondContact CD2-ND2 3.14Å; H54-N104 VanDerWaalsContact CD2-ND2 3.28Å; H54-N104 PolarHBondContact CE1-O 2.98Å; H54-N104 PolarHBondContact NE2-O 3.23Å; H54-N104 PolarHBondContact NE2-OD1 3.35Å; L100-N104 PolarHBondContact O-N 2.94Å; A101-N104 WeakPolarHBondContact O-CA 3.36Å; A101-N104 PolarHBondContact O-N 3.47Å; S102-N104 PolarHBondContact O-N 3.22Å; N104-A106 PolarHBondContact O-N 2.93Å; N104-V210 HydrophobicContact CB-CB 4.07Å; N104-V210 HydrophobicContact CB-CG1 4.32Å; N104-V210 WeakPolarHBondContact CB-O 3.08Å; N104-V210 PolarHBondContact ND2-O 3.23Å
105	R	94.9	Very high	94.3	Very high	41 Å²	41	16.5 Å²	16.5	16%	0.155	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	6.4	176.6	-53.1	173.4	-77	143.1	7.5	115.8	Y51 H54 R103 W306	Y51-R105 HydrophobicContact CD1-CG 4.23Å; Y51-R105 HydrophobicContact CD2-CG 3.5Å; Y51-R105 HydrophobicContact CE1-CG 4.39Å; Y51-R105 HydrophobicContact CE2-CG 3.68Å; Y51-R105 HydrophobicContact CG-CG 3.8Å; H54-R105 PolarHBondContact CD2-NH2 3.08Å; H54-R105 PolarHBondContact CE1-NH2 2.72Å; H54-R105 VanDerWaalsContact CE1-NH2 3.29Å; H54-R105 PolarHBondContact ND1-NH2 3.35Å; R103-R105 PolarHBondContact O-N 3.18Å; R105-W306 HydrophobicContact CB-CD2 3.74Å; R105-W306 HydrophobicContact CB-CE3 3.76Å; R105-W306 HydrophobicContact CB-CG 4.2Å; R105-W306 HydrophobicContact CB-CH2 4.34Å; R105-W306 HydrophobicContact CB-CZ2 4.36Å; R105-W306 HydrophobicContact CB-CZ3 4.05Å; R105-W306 VanDerWaalsContact CD-O 3.31Å; R105-W306 WeakPolarHBondContact CD-O 3.3Å; R105-W306 HydrophobicContact CG-CD2 3.65Å; R105-W306 HydrophobicContact CG-CE3 4.21Å; R105-W306 HydrophobicContact CG-CG 3.82Å; R105-W306 HydrophobicContact CG-CZ2 4.13Å; R105-W306 PolarHBondContact NH1-O 2.86Å; R105-W306 WeakPolarHBondContact O-CZ3 3.32Å
106	A	96.1	Very high	94.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.			trans	-76.2	145.2	173.1	0	0	0	0	0	112.4	L74 R103 N104 V112 V210 I213	L74-A106 HydrophobicContact CD2-CB 3.53Å; R103-A106 PolarHBondContact NH2-O 3.38Å; R103-A106 VanDerWaalsContact O-CB 3.23Å; R103-A106 WeakPolarHBondContact O-CB 3.41Å; R103-A106 PolarHBondContact O-N 2.93Å; N104-A106 PolarHBondContact O-N 2.93Å; A106-V112 HydrophobicContact CB-CG1 3.54Å; A106-V210 HydrophobicContact CB-CG1 4.3Å; A106-I213 HydrophobicContact CB-CD1 4.13Å; A106-I213 HydrophobicContact CB-CG1 4.07Å
107	L	94.9	Very high	94.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.109	C	C	.	.			trans	-114	169	-175.9	-66.6	-176.4	0	0	0	111.1	N109 D110 H218 R220 L273 P274 I303 W306	L107-N109 PolarHBondContact O-N 3.06Å; L107-D110 PolarHBondContact N-OD2 3.15Å; L107-D110 WeakPolarHBondContact O-CB 3.29Å; L107-D110 PolarHBondContact O-N 2.93Å; L107-H218 HydrophobicContact CB-CB 4.09Å; L107-H218 WeakPolarHBondContact CD1-ND1 3.34Å; L107-R220 VanDerWaalsContact CD1-CD 3.49Å; L107-L273 HydrophobicContact CD2-CD2 4.04Å; L107-P274 HydrophobicContact CD2-CG 4.33Å; L107-I303 HydrophobicContact CD1-CD1 3.92Å; L107-W306 HydrophobicContact CD2-CH2 4.42Å; L107-W306 HydrophobicContact CD2-CZ3 3.94Å; L107-W306 HydrophobicContact CG-CZ3 4.38Å
108	P	91.9	Very high	94.3	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.039	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	139.1	-178.7	-26	33.8	0	0	0	112.3	I76 D110 H218 R272 L273	I76-P108 HydrophobicContact CD1-CB 4.34Å; I76-P108 HydrophobicContact CD1-CG 3.71Å; P108-D110 PolarHBondContact O-N 3.22Å; P108-H218 WeakPolarHBondContact O-CB 3.42Å; P108-R272 HydrophobicContact CG-CB 3.87Å; P108-L273 HydrophobicContact CG-CD2 4.09Å
109	N	88.5	Confident	94.5	Very high	50 Å²	50	20.5 Å²	20.5	27%	0.267	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-3	178.6	-52.9	-32.5	0	0	0	116.3	L74 L107 L217	L74-N109 PolarHBondContact O-N 2.84Å; L107-N109 PolarHBondContact O-N 3.06Å; N109-L217 WeakPolarHBondContact O-CB 3.39Å; N109-L217 WeakPolarHBondContact O-CD1 3.49Å
110	D	93.7	Very high	94.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.			trans	-58.6	143.7	171.5	-73.3	-22.8	0	0	0	111	N73 L74 L107 P108 V112 I213 S216 L217 H218 R220	N73-D110 WeakPolarHBondContact CA-O 3.47Å; L74-D110 PolarHBondContact N-O 3.27Å; L107-D110 PolarHBondContact N-OD2 3.15Å; L107-D110 WeakPolarHBondContact O-CB 3.29Å; L107-D110 PolarHBondContact O-N 2.93Å; P108-D110 PolarHBondContact O-N 3.22Å; D110-V112 HydrophobicContact CB-CG1 4.21Å; D110-V112 PolarHBondContact O-N 3.15Å; D110-I213 HydrophobicContact CB-CG2 4.17Å; D110-S216 WeakPolarHBondContact OD1-CA 3.47Å; D110-L217 PolarHBondContact OD1-N 3.15Å; D110-L217 VanDerWaalsContact OD1-N 3.1Å; D110-H218 PolarHBondContact OD1-N 2.89Å; D110-H218 VanDerWaalsContact OD1-N 3.15Å; D110-R220 VanDerWaalsContact CG-NH2 3.32Å; D110-R220 IonicContact OD1-CZ 2.82Å; D110-R220 IonicContact OD1-NH1 3.79Å; D110-R220 PolarHBondContact OD1-NH1 2.8Å; D110-R220 IonicContact OD1-NH2 3.23Å; D110-R220 PolarHBondContact OD1-NH2 3.3Å; D110-R220 IonicContact OD2-CZ 2.82Å; D110-R220 IonicContact OD2-NH1 3.87Å; D110-R220 PolarHBondContact OD2-NH1 3.46Å; D110-R220 IonicContact OD2-NH2 3.53Å; D110-R220 PolarHBondContact OD2-NH2 3.41Å
111	I	91.5	Very high	95	Very high	9 Å²	9	22.4 Å²	22.4	5%	0.046	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	113.3	169.2	-45.8	-58.2	0	0	0	106.8	N73 I213 L214 Q215 L217 E822	N73-I111 HydrophobicContact CB-CD1 4.44Å; N73-I111 WeakPolarHBondContact OD1-CD1 3.44Å; I111-I213 CarbonylContact O-C 3.6Å; I111-L214 HydrophobicContact CB-CB 4.34Å; I111-L214 HydrophobicContact CG2-CB 4.09Å; I111-L214 HydrophobicContact CG2-CD1 4.14Å; I111-L214 PolarHBondContact O-N 3.28Å; I111-Q215 HydrophobicContact CB-CB 3.92Å; I111-Q215 HydrophobicContact CG1-CB 3.8Å; I111-Q215 PolarHBondContact N-O 3.09Å; I111-Q215 PolarHBondContact O-N 2.95Å; I111-L217 HydrophobicContact CD1-CD1 3.7Å; I111-L217 HydrophobicContact CD1-CG 4.43Å; I111-L217 HydrophobicContact CG1-CD1 3.88Å; I111-L217 HydrophobicContact CG1-CG 4.11Å; I111-E822 HydrophobicContact CD1-CB 3.63Å; I111-E822 HydrophobicContact CD1-CG 4.22Å
112	V	95.6	Very high	95.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.7	-175.9	-66.7	0	0	0	0	110.9	S71 G72 L74 V86 A106 D110 V114 V210 I213	S71-V112 VanDerWaalsContact CA-O 3.3Å; S71-V112 WeakPolarHBondContact CA-O 3.4Å; G72-V112 PolarHBondContact N-O 2.9Å; G72-V112 VanDerWaalsContact N-O 3.14Å; G72-V112 WeakPolarHBondContact O-CG2 3.27Å; G72-V112 PolarHBondContact O-N 2.67Å; L74-V112 HydrophobicContact CB-CG1 4.18Å; L74-V112 HydrophobicContact CB-CG2 4.05Å; V86-V112 HydrophobicContact CG2-CG2 3.65Å; A106-V112 HydrophobicContact CB-CG1 3.54Å; D110-V112 HydrophobicContact CB-CG1 4.21Å; D110-V112 PolarHBondContact O-N 3.15Å; V112-V114 HydrophobicContact CG2-CG2 3.81Å; V112-V210 HydrophobicContact CB-CG1 3.92Å; V112-V210 HydrophobicContact CB-CG2 3.97Å; V112-V210 HydrophobicContact CG1-CG1 3.91Å; V112-V210 HydrophobicContact CG1-CG2 4.1Å; V112-V210 HydrophobicContact CG2-CG2 4.06Å; V112-I213 HydrophobicContact CG1-CG1 4.48Å
113	A	96.1	Very high	95.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.7	163.2	0	0	0	0	0	108.8	L60 V64 L69 L70 V210 V211 G212 L214	L60-A113 HydrophobicContact CD2-CB 3.79Å; V64-A113 HydrophobicContact CG2-CB 4.45Å; L69-A113 HydrophobicContact CB-CB 4.48Å; L69-A113 HydrophobicContact CD1-CB 4.08Å; L70-A113 CarbonylContact O-C 3.49Å; L70-A113 VanDerWaalsContact O-CA 3.27Å; L70-A113 WeakPolarHBondContact O-CA 3.35Å; A113-V210 WeakPolarHBondContact O-CA 3.3Å; A113-V211 HydrophobicContact CB-CG2 3.96Å; A113-V211 WeakPolarHBondContact O-CG2 3.34Å; A113-V211 PolarHBondContact O-N 3.5Å; A113-G212 PolarHBondContact N-O 2.96Å; A113-L214 HydrophobicContact CB-CD1 4.1Å; A113-L214 HydrophobicContact CB-CG 4.14Å
114	V	97.4	Very high	95.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.8	-175.3	-179.7	0	0	0	0	109.1	L70 V86 V95 I97 V112 H209 V210	L70-V114 HydrophobicContact CB-CB 4.45Å; L70-V114 PolarHBondContact N-O 3.32Å; L70-V114 PolarHBondContact O-N 2.93Å; V86-V114 HydrophobicContact CB-CG2 4.29Å; V86-V114 HydrophobicContact CG1-CG2 4.4Å; V86-V114 HydrophobicContact CG2-CG2 3.86Å; V95-V114 HydrophobicContact CG1-CG1 3.97Å; I97-V114 HydrophobicContact CD1-CG1 3.82Å; I97-V114 HydrophobicContact CD1-CG2 4.22Å; V112-V114 HydrophobicContact CG2-CG2 3.81Å; V114-H209 WeakPolarHBondContact CA-O 3.2Å; V114-V210 HydrophobicContact CG2-CG2 4.34Å
115	M	97.5	Very high	95.2	Very high	65 Å²	65	23.1 Å²	23.1	32%	0.32	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.8	166.9	-171.7	164.1	67	0	0	108.4	W55 L69 G208 H209 V211	W55-M115 HydrophobicContact CH2-SD 4.1Å; W55-M115 HydrophobicContact CZ2-SD 4.22Å; L69-M115 HydrophobicContact CD2-CB 3.78Å; L69-M115 HydrophobicContact CD2-CG 4.28Å; M115-G208 CarbonylContact O-C 3.55Å; M115-G208 WeakPolarHBondContact O-CA 3.5Å; M115-H209 WeakPolarHBondContact CE-CE1 3.36Å; M115-H209 WeakPolarHBondContact CE-NE2 3.17Å; M115-H209 PolarHBondContact N-O 2.96Å; M115-H209 PolarHBondContact O-N 3.22Å; M115-V211 HydrophobicContact CB-CG1 3.6Å; M115-V211 HydrophobicContact CE-CG1 4.23Å
116	L	97.1	Very high	94.8	Very high	26 Å²	26	24 Å²	24	14%	0.136	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	139.5	174.6	-67.8	-175.4	0	0	0	110	L70 V95 W122 P181 R206	L70-L116 HydrophobicContact CD1-CD1 4.03Å; L70-L116 HydrophobicContact CD1-CD2 3.71Å; L70-L116 HydrophobicContact CD1-CG 3.85Å; V95-L116 HydrophobicContact CG1-CD2 3.65Å; V95-L116 HydrophobicContact CG2-CD2 4.02Å; L116-W122 HydrophobicContact CD1-CZ2 4.45Å; L116-P181 HydrophobicContact CB-CB 3.98Å; L116-R206 HydrophobicContact CD2-CB 4.05Å
117	E	96.9	Very high	94.1	Very high	45 Å²	45	28.3 Å²	28.3	21%	0.21	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-72.3	157.9	169.5	-65	-67	161.1	0	0	110.2	N121 W122 T207 H209	E117-N121 HydrophobicContact CB-CB 3.87Å; E117-N121 HydrophobicContact CG-CB 4.43Å; E117-W122 PolarHBondContact O-NE1 3.35Å; E117-T207 WeakPolarHBondContact CB-O 3.27Å; E117-T207 HydrophobicContact CG-CG2 4.27Å; E117-T207 PolarHBondContact N-O 2.97Å; E117-H209 IonicContact OE1-CE1 2.88Å; E117-H209 IonicContact OE1-CG 2.63Å; E117-H209 IonicContact OE1-ND1 3.16Å; E117-H209 PolarHBondContact OE1-ND1 3.46Å
118	P	97.7	Very high	93.5	Very high	25 Å²	25	30.2 Å²	30.2	16%	0.162	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-50.7	142	164.7	-28.8	38	0	0	0	112	R120 N121 D179	P118-R120 HydrophobicContact CB-CG 4Å; P118-R120 VanDerWaalsContact CB-NH1 3.31Å; P118-R120 PolarHBondContact O-N 2.96Å; P118-N121 WeakPolarHBondContact O-CB 3.26Å; P118-N121 PolarHBondContact O-N 3.29Å; P118-D179 WeakPolarHBondContact CB-O 3.36Å
119	K	97.1	Very high	93	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-48.1	-35.6	-177.4	-77.3	177.4	-157.9	72.2	0	114	N121 W122 L151 I174 D177 L178 S180 L182	K119-N121 PolarHBondContact O-N 3.25Å; K119-W122 HydrophobicContact CB-CD2 4.33Å; K119-W122 HydrophobicContact CB-CE3 4.47Å; K119-W122 HydrophobicContact CD-CZ3 4.47Å; K119-W122 HydrophobicContact CG-CD2 4.06Å; K119-W122 HydrophobicContact CG-CE3 3.95Å; K119-W122 HydrophobicContact CG-CH2 3.78Å; K119-W122 HydrophobicContact CG-CZ2 3.87Å; K119-W122 HydrophobicContact CG-CZ3 3.81Å; K119-W122 VanDerWaalsContact O-CB 3.27Å; K119-W122 WeakPolarHBondContact O-CB 3.37Å; K119-W122 PolarHBondContact O-N 2.99Å; K119-L151 HydrophobicContact CB-CD2 4.35Å; K119-L151 WeakPolarHBondContact O-CB 3.22Å; K119-L151 WeakPolarHBondContact O-CD2 3.27Å; K119-I174 HydrophobicContact CD-CG2 4.3Å; K119-D177 WeakPolarHBondContact CD-O 3.45Å; K119-D177 PolarHBondContact NZ-O 3.47Å; K119-D177 IonicContact NZ-OD2 3.99Å; K119-D177 PolarHBondContact NZ-OD2 3.21Å; K119-L178 HydrophobicContact CB-CD2 4.29Å; K119-L178 PolarHBondContact N-O 3.15Å; K119-L178 VanDerWaalsContact N-O 3.1Å; K119-S180 WeakPolarHBondContact CG-O 3.49Å; K119-S180 PolarHBondContact N-O 3.44Å; K119-S180 VanDerWaalsContact N-O 3.13Å; K119-S180 PolarHBondContact NZ-O 3.41Å; K119-S180 VanDerWaalsContact NZ-O 3.07Å; K119-S180 PolarHBondContact NZ-OG 2.87Å; K119-L182 WeakPolarHBondContact CE-O 3.32Å; K119-L182 PolarHBondContact NZ-O 3.2Å
120	R	96.9	Very high	92.5	Very high	78 Å²	78	32.5 Å²	32.5	29%	0.294	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-52.4	-29.1	175.7	60.6	178.8	-174.7	-84.7	-4.3	114.3	P118 T150 L151 E152 L178 D179	P118-R120 HydrophobicContact CB-CG 4Å; P118-R120 VanDerWaalsContact CB-NH1 3.31Å; P118-R120 PolarHBondContact O-N 2.96Å; R120-T150 WeakPolarHBondContact O-CB 3.48Å; R120-L151 PolarHBondContact O-N 3.45Å; R120-E152 HydrophobicContact CB-CB 4.09Å; R120-E152 PolarHBondContact O-N 3.18Å; R120-L178 HydrophobicContact CB-CB 4.29Å; R120-L178 PolarHBondContact N-O 3.04Å; R120-D179 IonicContact CZ-OD1 3.68Å; R120-D179 IonicContact NE-OD1 2.72Å; R120-D179 VanDerWaalsContact NH1-CA 3.34Å; R120-D179 VanDerWaalsContact NH1-CG 3.35Å; R120-D179 IonicContact NH1-OD1 2.7Å; R120-D179 PolarHBondContact NH1-OD1 3.42Å
121	N	96.6	Very high	91.6	Very high	47 Å²	47	39.2 Å²	39.2	25%	0.251	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-94.9	-0.9	179.8	-66.4	-25.2	0	0	0	113.5	E117 P118 K119 Y148 T207	E117-N121 HydrophobicContact CB-CB 3.87Å; E117-N121 HydrophobicContact CG-CB 4.43Å; P118-N121 WeakPolarHBondContact O-CB 3.26Å; P118-N121 PolarHBondContact O-N 3.29Å; K119-N121 PolarHBondContact O-N 3.25Å; N121-Y148 PolarHBondContact O-OH 2.94Å; N121-T207 WeakPolarHBondContact O-CB 3.26Å; N121-T207 PolarHBondContact O-OG1 3.34Å
122	W	97.5	Very high	90.8	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.015	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-67	147.1	177.6	-70.4	7.3	0	0	0	110.8	L116 E117 K119 T150 L151 P181 W200 I204 Q205 R206 T207	L116-W122 HydrophobicContact CD1-CZ2 4.45Å; E117-W122 PolarHBondContact O-NE1 3.35Å; K119-W122 HydrophobicContact CB-CD2 4.33Å; K119-W122 HydrophobicContact CB-CE3 4.47Å; K119-W122 HydrophobicContact CD-CZ3 4.47Å; K119-W122 HydrophobicContact CG-CD2 4.06Å; K119-W122 HydrophobicContact CG-CE3 3.95Å; K119-W122 HydrophobicContact CG-CH2 3.78Å; K119-W122 HydrophobicContact CG-CZ2 3.87Å; K119-W122 HydrophobicContact CG-CZ3 3.81Å; K119-W122 VanDerWaalsContact O-CB 3.27Å; K119-W122 WeakPolarHBondContact O-CB 3.37Å; K119-W122 PolarHBondContact O-N 2.99Å; W122-T150 CarbonylContact O-C 3.56Å; W122-T150 VanDerWaalsContact O-CA 3.3Å; W122-T150 WeakPolarHBondContact O-CA 3.36Å; W122-L151 PolarHBondContact O-N 2.69Å; W122-P181 WeakPolarHBondContact CZ2-O 3.42Å; W122-W200 HydrophobicContact CE3-CH2 4.49Å; W122-W200 AromaticContact CE3-CZ3 3.96Å; W122-W200 HydrophobicContact CE3-CZ3 3.96Å; W122-W200 HydrophobicContact CH2-CH2 4.07Å; W122-W200 HydrophobicContact CH2-CZ3 4.34Å; W122-W200 HydrophobicContact CZ3-CE3 4.35Å; W122-W200 AromaticContact CZ3-CH2 3.57Å; W122-W200 HydrophobicContact CZ3-CH2 3.57Å; W122-W200 AromaticContact CZ3-CZ3 3.41Å; W122-W200 HydrophobicContact CZ3-CZ3 3.41Å; W122-W200 VanDerWaalsContact CZ3-CZ3 3.41Å; W122-I204 HydrophobicContact CB-CG2 3.63Å; W122-I204 HydrophobicContact CD2-CG2 4.48Å; W122-I204 HydrophobicContact CE3-CG2 3.83Å; W122-I204 HydrophobicContact CG-CG2 4.48Å; W122-Q205 WeakPolarHBondContact CB-O 3.47Å; W122-R206 HydrophobicContact CD2-CG 4.38Å; W122-R206 HydrophobicContact CE3-CG 4.33Å; W122-R206 HydrophobicContact CH2-CG 3.94Å; W122-R206 HydrophobicContact CZ2-CG 4Å; W122-R206 HydrophobicContact CZ3-CG 4.12Å; W122-T207 WeakPolarHBondContact CA-OG1 3.31Å
123	R	96	Very high	89.7	Confident	35 Å²	35	41.8 Å²	41.8	13%	0.132	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133	-175.9	168.5	173.8	-177.3	-151	7	110.2	Y96 D126 Y148 I204 Q205 T207	Y96-R123 HydrophobicContact CD1-CB 4.1Å; R123-D126 IonicContact CZ-OD1 2.8Å; R123-D126 IonicContact NE-OD1 3.99Å; R123-D126 IonicContact NH2-OD1 3.32Å; R123-D126 PolarHBondContact NH2-OD1 3.41Å; R123-Y148 HydrophobicContact CB-CD2 3.5Å; R123-Y148 VanDerWaalsContact CB-CD2 3.5Å; R123-Y148 HydrophobicContact CB-CE2 3.88Å; R123-Y148 HydrophobicContact CB-CG 4.28Å; R123-Y148 HydrophobicContact CG-CD2 3.68Å; R123-Y148 HydrophobicContact CG-CG 4.12Å; R123-I204 CarbonylContact O-C 3.48Å; R123-I204 WeakPolarHBondContact O-CA 3.35Å; R123-Q205 HydrophobicContact CB-CB 4.24Å; R123-Q205 PolarHBondContact N-O 2.8Å; R123-Q205 PolarHBondContact O-N 2.87Å; R123-T207 PolarHBondContact N-OG1 2.75Å; R123-T207 VanDerWaalsContact N-OG1 3.12Å
124	V	94.1	Very high	88.5	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.5	163.7	-177.2	0	0	0	0	108.8	D126 F128 I129 V149 L151 F154 I203	V124-D126 PolarHBondContact O-N 2.9Å; V124-F128 HydrophobicContact CG1-CB 4.48Å; V124-I129 HydrophobicContact CB-CD1 4.13Å; V124-I129 HydrophobicContact CB-CG1 4.46Å; V124-I129 HydrophobicContact CG1-CD1 4.12Å; V124-I129 HydrophobicContact CG1-CG1 3.92Å; V124-V149 PolarHBondContact N-O 2.97Å; V124-L151 HydrophobicContact CG2-CD1 4.23Å; V124-F154 HydrophobicContact CB-CB 4.47Å; V124-F154 HydrophobicContact CG1-CD2 4.07Å; V124-F154 HydrophobicContact CG1-CE2 4.36Å; V124-F154 HydrophobicContact CG1-CG 4.29Å; V124-F154 HydrophobicContact CG2-CB 3.74Å; V124-F154 HydrophobicContact CG2-CD1 4.32Å; V124-F154 HydrophobicContact CG2-CD2 4.48Å; V124-F154 HydrophobicContact CG2-CG 3.94Å; V124-I203 HydrophobicContact CG1-CG2 4.48Å
125	F	91.1	Very high	87.4	Confident	51 Å²	51	50.9 Å²	50.9	22%	0.224	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-65.1	131	179.3	-77.4	-66.9	0	0	0	110.9	A93 S127 F128 I203 Q205	A93-F125 HydrophobicContact CB-CE2 4.41Å; A93-F125 HydrophobicContact CB-CZ 4.32Å; F125-S127 PolarHBondContact O-N 2.84Å; F125-F128 HydrophobicContact CB-CD2 3.9Å; F125-F128 HydrophobicContact CB-CE2 4.19Å; F125-F128 PolarHBondContact O-N 3.44Å; F125-I203 WeakPolarHBondContact CD2-O 3.18Å; F125-I203 PolarHBondContact N-O 3.08Å; F125-Q205 HydrophobicContact CD2-CB 4.48Å; F125-Q205 HydrophobicContact CE1-CB 4.16Å; F125-Q205 HydrophobicContact CE1-CG 4.39Å; F125-Q205 HydrophobicContact CE2-CB 3.83Å; F125-Q205 HydrophobicContact CE2-CG 4.49Å; F125-Q205 HydrophobicContact CZ-CB 3.65Å; F125-Q205 HydrophobicContact CZ-CG 3.89Å
126	D	86.1	Confident	86.4	Confident	58 Å²	58	54.2 Å²	54.2	31%	0.31	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-48.9	-28.2	-179.9	-67.2	49.8	0	0	0	113.7	R123 V124 F128 I129 K145	R123-D126 IonicContact CZ-OD1 2.8Å; R123-D126 IonicContact NE-OD1 3.99Å; R123-D126 IonicContact NH2-OD1 3.32Å; R123-D126 PolarHBondContact NH2-OD1 3.41Å; V124-D126 PolarHBondContact O-N 2.9Å; D126-F128 PolarHBondContact O-N 2.81Å; D126-F128 VanDerWaalsContact O-N 3.13Å; D126-I129 PolarHBondContact O-N 3.13Å; D126-K145 IonicContact OD2-NZ 3.49Å; D126-K145 PolarHBondContact OD2-NZ 3.02Å; D126-K145 VanDerWaalsContact OD2-NZ 3.08Å
127	S	81.8	Confident	85.1	Confident	92 Å²	92	54.6 Å²	54.6	64%	0.643	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-66.5	-8.1	178.1	57.6	0	0	0	0	115.4	F125	F125-S127 PolarHBondContact O-N 2.84Å
128	F	82	Confident	83.7	Confident	41 Å²	41	53.3 Å²	53.3	18%	0.18	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-116.2	6.5	178.2	-59.6	-79.8	0	0	0	112.7	V124 F125 D126 A202 I203	V124-F128 HydrophobicContact CG1-CB 4.48Å; F125-F128 HydrophobicContact CB-CD2 3.9Å; F125-F128 HydrophobicContact CB-CE2 4.19Å; F125-F128 PolarHBondContact O-N 3.44Å; D126-F128 PolarHBondContact O-N 2.81Å; D126-F128 VanDerWaalsContact O-N 3.13Å; F128-A202 WeakPolarHBondContact CE2-O 3.39Å; F128-I203 HydrophobicContact CB-CG2 4.28Å; F128-I203 HydrophobicContact CD1-CD1 3.67Å; F128-I203 HydrophobicContact CD1-CG2 4.49Å; F128-I203 HydrophobicContact CD2-CD1 4.04Å; F128-I203 HydrophobicContact CD2-CG2 4.16Å; F128-I203 HydrophobicContact CE1-CD1 3.21Å; F128-I203 HydrophobicContact CE2-CD1 3.64Å; F128-I203 HydrophobicContact CG-CD1 4.05Å; F128-I203 HydrophobicContact CG-CG2 4.05Å; F128-I203 HydrophobicContact CZ-CD1 3.2Å
129	I	81.5	Confident	81.8	Confident	12 Å²	12	56.8 Å²	56.8	6%	0.062	29%	0.285	C	S	.	.	S	Bend	trans	-111.5	118.4	-176.6	-50.3	179.3	0	0	0	107	V124 D126 T133 I134 V149	V124-I129 HydrophobicContact CB-CD1 4.13Å; V124-I129 HydrophobicContact CB-CG1 4.46Å; V124-I129 HydrophobicContact CG1-CD1 4.12Å; V124-I129 HydrophobicContact CG1-CG1 3.92Å; D126-I129 PolarHBondContact O-N 3.13Å; I129-T133 HydrophobicContact CG2-CG2 3.6Å; I129-I134 HydrophobicContact CB-CG1 4.3Å; I129-I134 HydrophobicContact CG2-CD1 4.37Å; I129-I134 HydrophobicContact CG2-CG1 3.61Å; I129-V149 HydrophobicContact CD1-CB 3.48Å; I129-V149 VanDerWaalsContact CD1-CB 3.48Å; I129-V149 HydrophobicContact CD1-CG1 4.09Å; I129-V149 HydrophobicContact CD1-CG2 3.56Å; I129-V149 HydrophobicContact CG2-CG2 4.42Å
130	D	78.4	Confident	79.7	Confident	91 Å²	91	62.6 Å²	62.6	49%	0.487	33%	0.326	S	S	.	.			trans	-65.2	148.2	175.7	-61.5	-36.2	0	0	0	110.1	S132 T133 I134 Q158	D130-S132 PolarHBondContact O-N 2.99Å; D130-S132 VanDerWaalsContact O-N 3.11Å; D130-T133 WeakPolarHBondContact O-CB 3.5Å; D130-T133 PolarHBondContact O-N 2.91Å; D130-I134 PolarHBondContact O-N 3.32Å; D130-I134 VanDerWaalsContact O-N 3.15Å; D130-Q158 PolarHBondContact OD2-NE2 2.77Å
131	E	75.8	Confident	77.6	Confident	141 Å²	141	66.1 Å²	66.1	66%	0.659	35%	0.35	S	S	*	.	H	α-helix	trans	-59.5	-27.9	-179.6	-67.9	-172.4	170.5	0	0	113	I134 R135	E131-I134 PolarHBondContact O-N 2.78Å; E131-R135 WeakPolarHBondContact O-CG 3.22Å; E131-R135 PolarHBondContact O-N 3.5Å; E131-R135 VanDerWaalsContact O-N 3.13Å; E131-R135 IonicContact OE2-NH1 3.07Å; E131-R135 PolarHBondContact OE2-NH1 3.25Å
132	S	74.2	Confident	75.3	Confident	61 Å²	61	70 Å²	70	43%	0.427	37%	0.367	S	S	.	.	H	α-helix	trans	-60.5	-47.5	172.5	44.9	0	0	0	0	111.5	D130 I134 R135 E136	D130-S132 PolarHBondContact O-N 2.99Å; D130-S132 VanDerWaalsContact O-N 3.11Å; S132-I134 VanDerWaalsContact C-N 3.32Å; S132-I134 PolarHBondContact O-N 3Å; S132-R135 PolarHBondContact O-N 3.36Å; S132-R135 VanDerWaalsContact O-N 3.15Å; S132-E136 PolarHBondContact O-N 2.79Å
133	T	71.4	Confident	73.1	Confident	3 Å²	3	80.6 Å²	80.6	2%	0.018	41%	0.413	C	S	.	.	H	α-helix	trans	-62.1	-40.2	177.9	-55.8	0	0	0	0	111.4	I129 D130 R135 E136 I137 I157	I129-T133 HydrophobicContact CG2-CG2 3.6Å; D130-T133 WeakPolarHBondContact O-CB 3.5Å; D130-T133 PolarHBondContact O-N 2.91Å; T133-R135 VanDerWaalsContact C-N 3.3Å; T133-R135 PolarHBondContact O-N 3.34Å; T133-E136 PolarHBondContact O-N 3.36Å; T133-I137 HydrophobicContact CG2-CD1 4.07Å; T133-I137 WeakPolarHBondContact O-CG1 3.2Å; T133-I137 PolarHBondContact O-N 2.81Å; T133-I137 VanDerWaalsContact O-N 3.16Å; T133-I157 HydrophobicContact CG2-CB 4.11Å; T133-I157 HydrophobicContact CG2-CD1 3.82Å; T133-I157 HydrophobicContact CG2-CG2 3.8Å
134	I	71.2	Confident	71.3	Confident	29 Å²	29	87.2 Å²	87.2	15%	0.149	44%	0.443	C	S	.	.	H	α-helix	trans	-61.3	-40.5	175.7	-64	176.3	0	0	0	111.3	I129 D130 E131 S132 G138 K145	I129-I134 HydrophobicContact CB-CG1 4.3Å; I129-I134 HydrophobicContact CG2-CD1 4.37Å; I129-I134 HydrophobicContact CG2-CG1 3.61Å; D130-I134 PolarHBondContact O-N 3.32Å; D130-I134 VanDerWaalsContact O-N 3.15Å; E131-I134 PolarHBondContact O-N 2.78Å; S132-I134 VanDerWaalsContact C-N 3.32Å; S132-I134 PolarHBondContact O-N 3Å; I134-G138 PolarHBondContact O-N 2.8Å; I134-K145 HydrophobicContact CG2-CD 3.75Å; I134-K145 VanDerWaalsContact CG2-CE 3.48Å; I134-K145 HydrophobicContact CG2-CG 3.63Å
135	R	74.5	Confident	69.9	Low	163 Å²	163	93 Å²	93	62%	0.615	47%	0.468	S	S	*	.	H	α-helix	trans	-69.9	-37.6	178.6	-73.6	-175.1	-68.6	-96	2.4	112.3	E131 S132 T133 G138	E131-R135 WeakPolarHBondContact O-CG 3.22Å; E131-R135 PolarHBondContact O-N 3.5Å; E131-R135 VanDerWaalsContact O-N 3.13Å; E131-R135 IonicContact OE2-NH1 3.07Å; E131-R135 PolarHBondContact OE2-NH1 3.25Å; S132-R135 PolarHBondContact O-N 3.36Å; S132-R135 VanDerWaalsContact O-N 3.15Å; T133-R135 VanDerWaalsContact C-N 3.3Å; T133-R135 PolarHBondContact O-N 3.34Å; R135-G138 PolarHBondContact O-N 3.1Å
136	E	75.8	Confident	69.1	Low	135 Å²	135	92 Å²	92	63%	0.631	47%	0.467	S	S	*	.	H	α-helix	trans	-70.8	-32.8	-178.1	-167.2	169.9	-166.4	0	0	113.1	S132 T133 I157	S132-E136 PolarHBondContact O-N 2.79Å; T133-E136 PolarHBondContact O-N 3.36Å; E136-I157 HydrophobicContact CB-CD1 4.41Å; E136-I157 HydrophobicContact CG-CD1 4.48Å; E136-I157 WeakPolarHBondContact OE2-CG2 3.39Å
137	I	71.2	Confident	68.9	Low	34 Å²	34	94.2 Å²	94.2	17%	0.174	47%	0.471	C	S	.	.	H	α-helix	trans	-75.2	-28.4	173.8	-61.3	167	0	0	0	111.6	T133 D139 P146 V149 Q153 I157	T133-I137 HydrophobicContact CG2-CD1 4.07Å; T133-I137 WeakPolarHBondContact O-CG1 3.2Å; T133-I137 PolarHBondContact O-N 2.81Å; T133-I137 VanDerWaalsContact O-N 3.16Å; I137-D139 PolarHBondContact O-N 3.1Å; I137-P146 HydrophobicContact CB-CG 4.13Å; I137-P146 HydrophobicContact CG2-CB 3.99Å; I137-P146 HydrophobicContact CG2-CG 3.79Å; I137-V149 HydrophobicContact CD1-CB 4.01Å; I137-V149 HydrophobicContact CD1-CG1 3.44Å; I137-V149 VanDerWaalsContact CD1-CG1 3.44Å; I137-V149 HydrophobicContact CD1-CG2 3.41Å; I137-V149 VanDerWaalsContact CD1-CG2 3.41Å; I137-Q153 HydrophobicContact CD1-CB 4.12Å; I137-I157 HydrophobicContact CD1-CD1 3.71Å; I137-I157 HydrophobicContact CG1-CD1 3.23Å
138	G	66	Low	69.3	Low	18 Å²	18	91.9 Å²	91.9	19%	0.186	45%	0.448	C	S	.	.	S	Bend	trans	-66	116.7	175.9	0	0	0	0	0	110.7	I134 R135 S140	I134-G138 PolarHBondContact O-N 2.8Å; R135-G138 PolarHBondContact O-N 3.1Å; G138-S140 PolarHBondContact O-N 3.49Å
139	D	59.5	Low	69.8	Low	97 Å²	97	90.2 Å²	90.2	52%	0.519	44%	0.441	S	S	.	.			trans	-57.6	128.3	179	-161.8	-0.8	0	0	0	110.7	I137 N141 Q142	I137-D139 PolarHBondContact O-N 3.1Å; D139-N141 PolarHBondContact O-N 2.94Å; D139-Q142 PolarHBondContact O-N 2.85Å; D139-Q142 VanDerWaalsContact O-O 3.05Å
140	S	52.1	Low	70.4	Confident	123 Å²	123	90.4 Å²	90.4	86%	0.86	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-21	-176.8	-58.4	0	0	0	0	112.7	G138	G138-S140 PolarHBondContact O-N 3.49Å
141	N	53.8	Low	71.2	Confident	152 Å²	152	86.1 Å²	86.1	81%	0.813	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-14.9	178.8	-75.5	-27.1	0	0	0	114.7	D139	D139-N141 PolarHBondContact O-N 2.94Å
142	Q	47.8	Very low	72.1	Confident	129 Å²	129	82.7 Å²	82.7	60%	0.603	40%	0.404	S	S	*	.			trans	-119.7	113.1	177.4	-63.4	-164.6	11	0	0	110	D139 K144	D139-Q142 PolarHBondContact O-N 2.85Å; D139-Q142 VanDerWaalsContact O-O 3.05Å; Q142-K144 PolarHBondContact O-N 3.35Å
143	K	50.3	Low	72.9	Confident	227 Å²	227	83 Å²	83	99%	0.987	40%	0.399	S	S	*	.			trans	-63.4	24	176.2	-71.7	-174.4	175.7	179.5	0	115.1
144	K	58.6	Low	73.9	Confident	174 Å²	174	83.1 Å²	83.1	76%	0.757	40%	0.399	S	S	*	.	S	Bend	trans	-113.6	120.6	-179.7	-72.1	-173.8	177.6	-180	0	110.3	Q142	Q142-K144 PolarHBondContact O-N 3.35Å
145	K	65.4	Low	74.9	Confident	123 Å²	123	82.7 Å²	82.7	54%	0.535	40%	0.397	S	S	.	.			trans	-49.7	137.7	167.3	-176.3	-175.2	162.1	-178.7	0	108.9	D126 I134	D126-K145 IonicContact OD2-NZ 3.49Å; D126-K145 PolarHBondContact OD2-NZ 3.02Å; D126-K145 VanDerWaalsContact OD2-NZ 3.08Å; I134-K145 HydrophobicContact CG2-CD 3.75Å; I134-K145 VanDerWaalsContact CG2-CE 3.48Å; I134-K145 HydrophobicContact CG2-CG 3.63Å
146	P	74.6	Confident	75.6	Confident	29 Å²	29	81.7 Å²	81.7	19%	0.188	40%	0.397	C	S	.	.			trans	-56.1	145.1	171.5	25.6	-35.9	0	0	0	110.6	I137 Y148	I137-P146 HydrophobicContact CB-CG 4.13Å; I137-P146 HydrophobicContact CG2-CB 3.99Å; I137-P146 HydrophobicContact CG2-CG 3.79Å; P146-Y148 VanDerWaalsContact C-N 3.35Å; P146-Y148 PolarHBondContact O-N 3.08Å
147	R	80.7	Confident	76.1	Confident	105 Å²	105	77.5 Å²	77.5	40%	0.396	38%	0.378	S	S	.	.	S	Bend	trans	-61	-45.1	-177.8	-178	176	-62.1	-169	-1.5	111.8	E82 S98	E82-R147 VanDerWaalsContact CD-NH1 3.31Å; E82-R147 IonicContact OE1-CZ 3.09Å; E82-R147 IonicContact OE1-NH1 3.97Å; E82-R147 PolarHBondContact OE1-NH1 2.79Å; E82-R147 VanDerWaalsContact OE1-NH1 3.08Å; E82-R147 IonicContact OE1-NH2 3.78Å; E82-R147 PolarHBondContact OE1-NH2 3.43Å; E82-R147 IonicContact OE2-CZ 3.35Å; E82-R147 VanDerWaalsContact OE2-CZ 3.26Å; E82-R147 IonicContact OE2-NH1 2.94Å; E82-R147 PolarHBondContact OE2-NH1 3.11Å; E82-R147 IonicContact OE2-NH2 3.8Å; E82-R147 PolarHBondContact OE2-NH2 2.88Å; S98-R147 WeakPolarHBondContact O-CD 3.27Å; S98-R147 PolarHBondContact O-NH1 2.79Å
148	Y	90.8	Very high	76.9	Confident	42 Å²	42	77.9 Å²	77.9	17%	0.165	38%	0.38	C	S	.	.	S	Bend	trans	-152.7	165.9	170.7	72.7	-82.8	0	0	0	108.5	Y96 N121 R123 P146 T150	Y96-Y148 AromaticContact CE1-CD1 3.74Å; Y96-Y148 HydrophobicContact CE1-CD1 3.74Å; Y96-Y148 HydrophobicContact CE1-CE1 4.07Å; Y96-Y148 HydrophobicContact CE1-CG 4.04Å; N121-Y148 PolarHBondContact O-OH 2.94Å; R123-Y148 HydrophobicContact CB-CD2 3.5Å; R123-Y148 VanDerWaalsContact CB-CD2 3.5Å; R123-Y148 HydrophobicContact CB-CE2 3.88Å; R123-Y148 HydrophobicContact CB-CG 4.28Å; R123-Y148 HydrophobicContact CG-CD2 3.68Å; R123-Y148 HydrophobicContact CG-CG 4.12Å; P146-Y148 VanDerWaalsContact C-N 3.35Å; P146-Y148 PolarHBondContact O-N 3.08Å; Y148-T150 HydrophobicContact CE2-CG2 3.77Å
149	V	92.3	Very high	77.7	Confident	6 Å²	6	81 Å²	81	4%	0.036	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.6	176.6	174.4	0	0	0	0	108.8	V124 I129 I137 Q153 F154	V124-V149 PolarHBondContact N-O 2.97Å; I129-V149 HydrophobicContact CD1-CB 3.48Å; I129-V149 VanDerWaalsContact CD1-CB 3.48Å; I129-V149 HydrophobicContact CD1-CG1 4.09Å; I129-V149 HydrophobicContact CD1-CG2 3.56Å; I129-V149 HydrophobicContact CG2-CG2 4.42Å; I137-V149 HydrophobicContact CD1-CB 4.01Å; I137-V149 HydrophobicContact CD1-CG1 3.44Å; I137-V149 VanDerWaalsContact CD1-CG1 3.44Å; I137-V149 HydrophobicContact CD1-CG2 3.41Å; I137-V149 VanDerWaalsContact CD1-CG2 3.41Å; V149-Q153 HydrophobicContact CG1-CB 3.95Å; V149-F154 HydrophobicContact CG1-CB 4.04Å
150	T	94.7	Very high	78.8	Confident	17 Å²	17	81.3 Å²	81.3	10%	0.104	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	158.8	174.9	71	0	0	0	0	111	R120 W122 Y148 E152 Q153 F154	R120-T150 WeakPolarHBondContact O-CB 3.48Å; W122-T150 CarbonylContact O-C 3.56Å; W122-T150 VanDerWaalsContact O-CA 3.3Å; W122-T150 WeakPolarHBondContact O-CA 3.36Å; Y148-T150 HydrophobicContact CE2-CG2 3.77Å; T150-E152 VanDerWaalsContact C-N 3.26Å; T150-E152 PolarHBondContact O-N 3.38Å; T150-Q153 PolarHBondContact O-N 3.28Å; T150-Q153 VanDerWaalsContact OG1-CG 3.31Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.32Å; T150-Q153 PolarHBondContact OG1-N 3.28Å; T150-F154 PolarHBondContact O-N 3Å
151	L	94.3	Very high	80.3	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-57.9	-39.5	176.3	-177.9	58.2	0	0	0	111.9	K119 R120 W122 V124 F154 L155 I174 L178 I204	K119-L151 HydrophobicContact CB-CD2 4.35Å; K119-L151 WeakPolarHBondContact O-CB 3.22Å; K119-L151 WeakPolarHBondContact O-CD2 3.27Å; R120-L151 PolarHBondContact O-N 3.45Å; W122-L151 PolarHBondContact O-N 2.69Å; V124-L151 HydrophobicContact CG2-CD1 4.23Å; L151-F154 PolarHBondContact O-N 3.39Å; L151-L155 HydrophobicContact CD1-CD1 4.12Å; L151-L155 HydrophobicContact CD1-CG 4.13Å; L151-L155 HydrophobicContact CG-CD1 3.95Å; L151-L155 HydrophobicContact CG-CG 4.41Å; L151-L155 WeakPolarHBondContact O-CB 3.26Å; L151-L155 VanDerWaalsContact O-CG 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.29Å; L151-L155 PolarHBondContact O-N 2.79Å; L151-I174 HydrophobicContact CD2-CG2 3.76Å; L151-L178 HydrophobicContact CD2-CD2 3.65Å; L151-L178 HydrophobicContact CG-CD2 4.14Å; L151-I204 HydrophobicContact CD1-CD1 3.63Å; L151-I204 HydrophobicContact CD1-CG1 4.07Å; L151-I204 HydrophobicContact CD2-CD1 4.06Å; L151-I204 HydrophobicContact CG-CD1 4.48Å
152	E	94.4	Very high	81.9	Confident	70 Å²	70	68.6 Å²	68.6	33%	0.327	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-45	175.7	-171.4	-169.5	-176.8	0	0	112.5	R120 T150 F154 L155 K156	R120-E152 HydrophobicContact CB-CB 4.09Å; R120-E152 PolarHBondContact O-N 3.18Å; T150-E152 VanDerWaalsContact C-N 3.26Å; T150-E152 PolarHBondContact O-N 3.38Å; E152-F154 VanDerWaalsContact C-N 3.33Å; E152-F154 PolarHBondContact O-N 2.89Å; E152-L155 PolarHBondContact O-N 2.82Å; E152-K156 VanDerWaalsContact CD-NZ 3.34Å; E152-K156 HydrophobicContact CG-CD 4.41Å; E152-K156 WeakPolarHBondContact O-CG 3.45Å; E152-K156 PolarHBondContact O-N 3.05Å; E152-K156 VanDerWaalsContact OE1-CE 3.3Å; E152-K156 WeakPolarHBondContact OE1-CE 3.45Å; E152-K156 IonicContact OE1-NZ 2.72Å; E152-K156 PolarHBondContact OE1-NZ 2.92Å
153	Q	92.6	Very high	83.8	Confident	66 Å²	66	64.1 Å²	64.1	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-63.6	-41.9	177.8	-72.7	170.1	-21.3	0	0	111.1	I137 V149 T150 K156 I157	I137-Q153 HydrophobicContact CD1-CB 4.12Å; V149-Q153 HydrophobicContact CG1-CB 3.95Å; T150-Q153 PolarHBondContact O-N 3.28Å; T150-Q153 VanDerWaalsContact OG1-CG 3.31Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.32Å; T150-Q153 PolarHBondContact OG1-N 3.28Å; Q153-K156 PolarHBondContact O-N 2.99Å; Q153-I157 PolarHBondContact O-N 3.49Å
154	F	92.1	Very high	85.4	Confident	6 Å²	6	60.7 Å²	60.7	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-49.1	175.7	178.2	-100.1	0	0	0	111.7	V124 V149 T150 L151 E152 K156 I157 Q158 L162	V124-F154 HydrophobicContact CB-CB 4.47Å; V124-F154 HydrophobicContact CG1-CD2 4.07Å; V124-F154 HydrophobicContact CG1-CE2 4.36Å; V124-F154 HydrophobicContact CG1-CG 4.29Å; V124-F154 HydrophobicContact CG2-CB 3.74Å; V124-F154 HydrophobicContact CG2-CD1 4.32Å; V124-F154 HydrophobicContact CG2-CD2 4.48Å; V124-F154 HydrophobicContact CG2-CG 3.94Å; V149-F154 HydrophobicContact CG1-CB 4.04Å; T150-F154 PolarHBondContact O-N 3Å; L151-F154 PolarHBondContact O-N 3.39Å; E152-F154 VanDerWaalsContact C-N 3.33Å; E152-F154 PolarHBondContact O-N 2.89Å; F154-K156 VanDerWaalsContact C-N 3.31Å; F154-K156 PolarHBondContact O-N 2.82Å; F154-I157 PolarHBondContact O-N 2.72Å; F154-Q158 HydrophobicContact CE2-CB 4.39Å; F154-Q158 HydrophobicContact CZ-CB 4.33Å; F154-Q158 PolarHBondContact O-N 3.09Å; F154-L162 HydrophobicContact CE1-CB 4.44Å
155	L	91.4	Very high	86.6	Confident	21 Å²	21	54.1 Å²	54.1	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-65.7	-31	179.8	-69.8	170.4	0	0	0	113	L151 E152 I157 Q158 P159 L162 I175 L178	L151-L155 HydrophobicContact CD1-CD1 4.12Å; L151-L155 HydrophobicContact CD1-CG 4.13Å; L151-L155 HydrophobicContact CG-CD1 3.95Å; L151-L155 HydrophobicContact CG-CG 4.41Å; L151-L155 WeakPolarHBondContact O-CB 3.26Å; L151-L155 VanDerWaalsContact O-CG 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.29Å; L151-L155 PolarHBondContact O-N 2.79Å; E152-L155 PolarHBondContact O-N 2.82Å; L155-I157 VanDerWaalsContact C-N 3.34Å; L155-Q158 CarbonylContact O-C 3.57Å; L155-P159 VanDerWaalsContact O-CA 3.22Å; L155-P159 WeakPolarHBondContact O-CA 3.32Å; L155-P159 WeakPolarHBondContact O-CG 3.41Å; L155-L162 HydrophobicContact CD2-CB 4.18Å; L155-L162 HydrophobicContact CD2-CD2 4.45Å; L155-I175 HydrophobicContact CD1-CG1 3.91Å; L155-I175 HydrophobicContact CD2-CD1 3.98Å; L155-I175 HydrophobicContact CD2-CG1 4.05Å; L155-L178 HydrophobicContact CD1-CD1 4.05Å; L155-L178 HydrophobicContact CD1-CD2 4.06Å
156	K	90	Very high	87.6	Confident	141 Å²	141	48.6 Å²	48.6	61%	0.613	24%	0.238	S	C	*	.	H	α-helix	trans	-65.4	-36.3	174.1	-78.6	174.7	-176.5	167.7	0	112.6	E152 Q153 F154	E152-K156 VanDerWaalsContact CD-NZ 3.34Å; E152-K156 HydrophobicContact CG-CD 4.41Å; E152-K156 WeakPolarHBondContact O-CG 3.45Å; E152-K156 PolarHBondContact O-N 3.05Å; E152-K156 VanDerWaalsContact OE1-CE 3.3Å; E152-K156 WeakPolarHBondContact OE1-CE 3.45Å; E152-K156 IonicContact OE1-NZ 2.72Å; E152-K156 PolarHBondContact OE1-NZ 2.92Å; Q153-K156 PolarHBondContact O-N 2.99Å; F154-K156 VanDerWaalsContact C-N 3.31Å; F154-K156 PolarHBondContact O-N 2.82Å
157	I	86.6	Confident	88.2	Confident	47 Å²	47	47.5 Å²	47.5	24%	0.241	23%	0.232	C	C	.	.	H	α-helix	trans	-91.3	-36.2	-176.5	-62.4	167.7	0	0	0	111.4	T133 E136 I137 Q153 F154 L155	T133-I157 HydrophobicContact CG2-CB 4.11Å; T133-I157 HydrophobicContact CG2-CD1 3.82Å; T133-I157 HydrophobicContact CG2-CG2 3.8Å; E136-I157 HydrophobicContact CB-CD1 4.41Å; E136-I157 HydrophobicContact CG-CD1 4.48Å; E136-I157 WeakPolarHBondContact OE2-CG2 3.39Å; I137-I157 HydrophobicContact CD1-CD1 3.71Å; I137-I157 HydrophobicContact CG1-CD1 3.23Å; Q153-I157 PolarHBondContact O-N 3.49Å; F154-I157 PolarHBondContact O-N 2.72Å; L155-I157 VanDerWaalsContact C-N 3.34Å
158	Q	86.8	Confident	88.5	Confident	43 Å²	43	45.2 Å²	45.2	20%	0.201	23%	0.231	C	C	.	.			trans	-128	76.4	178.6	-63.3	-170.2	-25.1	0	0	110.7	D130 F154 L155 M160 G161	D130-Q158 PolarHBondContact OD2-NE2 2.77Å; F154-Q158 HydrophobicContact CE2-CB 4.39Å; F154-Q158 HydrophobicContact CZ-CB 4.33Å; F154-Q158 PolarHBondContact O-N 3.09Å; L155-Q158 CarbonylContact O-C 3.57Å; Q158-M160 VanDerWaalsContact C-N 3.28Å; Q158-M160 PolarHBondContact O-N 3.28Å; Q158-G161 PolarHBondContact O-N 3.46Å
159	P	82.3	Confident	88.3	Confident	82 Å²	82	51.7 Å²	51.7	53%	0.532	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-38.9	-176.4	-25.7	33.6	0	0	0	113.9	L155	L155-P159 VanDerWaalsContact O-CA 3.22Å; L155-P159 WeakPolarHBondContact O-CA 3.32Å; L155-P159 WeakPolarHBondContact O-CG 3.41Å
160	M	83.5	Confident	88.2	Confident	104 Å²	104	52.5 Å²	52.5	51%	0.512	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.9	178	-58.4	-62.3	-68.3	0	0	113.2	Q158 L162 E163 Q164	Q158-M160 VanDerWaalsContact C-N 3.28Å; Q158-M160 PolarHBondContact O-N 3.28Å; M160-L162 VanDerWaalsContact C-N 3.28Å; M160-L162 PolarHBondContact O-N 3.19Å; M160-E163 WeakPolarHBondContact CE-OE2 3.19Å; M160-E163 PolarHBondContact O-N 2.81Å; M160-Q164 WeakPolarHBondContact O-CG 3.22Å; M160-Q164 PolarHBondContact O-N 3.39Å
161	G	84	Confident	88	Confident	8 Å²	8	51.7 Å²	51.7	8%	0.082	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.1	-171.8	0	0	0	0	0	112.8	Q158 V165	Q158-G161 PolarHBondContact O-N 3.46Å; G161-V165 WeakPolarHBondContact O-CG2 3.31Å
162	L	85.9	Confident	87.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-46.5	178.8	-166.9	61.3	0	0	0	111.6	F154 L155 M160 Q164 V165 I166 A171 I174 I204	F154-L162 HydrophobicContact CE1-CB 4.44Å; L155-L162 HydrophobicContact CD2-CB 4.18Å; L155-L162 HydrophobicContact CD2-CD2 4.45Å; M160-L162 VanDerWaalsContact C-N 3.28Å; M160-L162 PolarHBondContact O-N 3.19Å; L162-Q164 PolarHBondContact O-N 2.87Å; L162-V165 PolarHBondContact O-N 3.16Å; L162-I166 HydrophobicContact CD1-CD1 3.62Å; L162-I166 HydrophobicContact CD1-CG1 3.95Å; L162-I166 HydrophobicContact CD1-CG2 4.31Å; L162-I166 HydrophobicContact CD2-CD1 3.89Å; L162-I166 HydrophobicContact CG-CD1 3.52Å; L162-I166 HydrophobicContact CG-CG1 3.81Å; L162-I166 WeakPolarHBondContact O-CG1 3.39Å; L162-I166 PolarHBondContact O-N 3.23Å; L162-A171 HydrophobicContact CB-CB 4.13Å; L162-A171 HydrophobicContact CD2-CB 4.01Å; L162-A171 HydrophobicContact CG-CB 3.88Å; L162-I174 HydrophobicContact CD2-CB 4.38Å; L162-I174 HydrophobicContact CD2-CD1 4.4Å; L162-I174 HydrophobicContact CD2-CG2 4.13Å; L162-I204 HydrophobicContact CD1-CD1 3.68Å; L162-I204 HydrophobicContact CD1-CG1 4.32Å; L162-I204 HydrophobicContact CD2-CD1 4.17Å
163	E	87.7	Confident	87.6	Confident	35 Å²	35	55 Å²	55	16%	0.164	27%	0.27	C	S	.	.	H	α-helix	trans	-54.8	-40.5	-179.8	-61.5	-170.2	-162.3	0	0	112.4	M160 V165 G167 S168 A171	M160-E163 WeakPolarHBondContact CE-OE2 3.19Å; M160-E163 PolarHBondContact O-N 2.81Å; E163-V165 PolarHBondContact O-N 3.11Å; E163-G167 CarbonylContact O-C 3.4Å; E163-G167 WeakPolarHBondContact O-CA 3.47Å; E163-G167 PolarHBondContact O-N 2.97Å; E163-S168 PolarHBondContact OE2-OG 3.21Å; E163-A171 HydrophobicContact CB-CB 4.29Å; E163-A171 HydrophobicContact CG-CB 3.69Å
164	Q	84.2	Confident	87.6	Confident	154 Å²	154	52 Å²	52	72%	0.72	26%	0.256	S	S	*	.	H	α-helix	trans	-63.3	-23.1	-180	-69.7	176	7.9	0	0	113.9	M160 L162	M160-Q164 WeakPolarHBondContact O-CG 3.22Å; M160-Q164 PolarHBondContact O-N 3.39Å; L162-Q164 PolarHBondContact O-N 2.87Å
165	V	84	Confident	87.6	Confident	37 Å²	37	54.8 Å²	54.8	22%	0.224	27%	0.271	C	S	.	.	H	α-helix	trans	-109.9	-36.7	-169.7	-172.9	0	0	0	0	112.5	G161 L162 E163 R198 I203	G161-V165 WeakPolarHBondContact O-CG2 3.31Å; L162-V165 PolarHBondContact O-N 3.16Å; E163-V165 PolarHBondContact O-N 3.11Å; V165-R198 HydrophobicContact CG1-CB 4.49Å; V165-R198 PolarHBondContact O-N 3.17Å; V165-I203 HydrophobicContact CG1-CD1 3.34Å; V165-I203 HydrophobicContact CG1-CG1 3.72Å
166	I	86.7	Confident	87.6	Confident	7 Å²	7	63 Å²	63	4%	0.036	30%	0.3	C	S	.	.	H	α-helix	trans	-114.8	-4.7	-176.6	73.2	167.4	0	0	0	113.4	L162 L170 A171 I174 W200 I203	L162-I166 HydrophobicContact CD1-CD1 3.62Å; L162-I166 HydrophobicContact CD1-CG1 3.95Å; L162-I166 HydrophobicContact CD1-CG2 4.31Å; L162-I166 HydrophobicContact CD2-CD1 3.89Å; L162-I166 HydrophobicContact CG-CD1 3.52Å; L162-I166 HydrophobicContact CG-CG1 3.81Å; L162-I166 WeakPolarHBondContact O-CG1 3.39Å; L162-I166 PolarHBondContact O-N 3.23Å; I166-L170 HydrophobicContact CB-CD2 4.41Å; I166-L170 HydrophobicContact CD1-CB 4.34Å; I166-L170 HydrophobicContact CD1-CD2 4.09Å; I166-L170 HydrophobicContact CD1-CG 3.97Å; I166-A171 HydrophobicContact CD1-CB 4.27Å; I166-A171 HydrophobicContact CG1-CB 4.16Å; I166-I174 HydrophobicContact CD1-CD1 3.61Å; I166-W200 HydrophobicContact CD1-CB 4.08Å; I166-W200 HydrophobicContact CG2-CB 4.33Å; I166-I203 HydrophobicContact CG2-CG1 3.78Å
167	G	86.9	Confident	87.8	Confident	6 Å²	6	59.6 Å²	59.6	6%	0.062	29%	0.289	C	S	.	.			trans	92.3	144.1	-179.1	0	0	0	0	0	112.9	E163 R169 L170 A171 H197	E163-G167 CarbonylContact O-C 3.4Å; E163-G167 WeakPolarHBondContact O-CA 3.47Å; E163-G167 PolarHBondContact O-N 2.97Å; G167-R169 PolarHBondContact O-N 3.41Å; G167-L170 PolarHBondContact O-N 3.43Å; G167-A171 WeakPolarHBondContact O-CB 3.15Å; G167-A171 PolarHBondContact O-N 3.19Å; G167-H197 VanDerWaalsContact CA-CD2 3.45Å; G167-H197 WeakPolarHBondContact CA-CD2 3.47Å; G167-H197 WeakPolarHBondContact CA-NE2 3.28Å; G167-H197 PolarHBondContact N-CD2 3.49Å
168	S	87.2	Confident	88.2	Confident	56 Å²	56	59 Å²	59	39%	0.392	29%	0.286	S	S	.	.	H	α-helix	trans	-58.6	-43.6	-172.8	-59.8	0	0	0	0	113.2	E163 L170 A171 E172	E163-S168 PolarHBondContact OE2-OG 3.21Å; S168-L170 PolarHBondContact O-N 3.23Å; S168-A171 PolarHBondContact O-N 3.21Å; S168-E172 WeakPolarHBondContact O-CB 3.27Å; S168-E172 VanDerWaalsContact O-CG 3.32Å; S168-E172 WeakPolarHBondContact O-CG 3.33Å; S168-E172 PolarHBondContact O-N 3Å
169	R	87.5	Confident	88.6	Confident	179 Å²	179	62.4 Å²	62.4	68%	0.675	31%	0.306	S	S	*	.	H	α-helix	trans	-58.3	-47.7	-178.8	-180	178.8	172.9	171.6	-1.2	113	G167 E173	G167-R169 PolarHBondContact O-N 3.41Å; R169-E173 PolarHBondContact O-N 3.49Å; R169-E173 VanDerWaalsContact O-N 3.14Å
170	L	89	Confident	89.3	Confident	22 Å²	22	59.4 Å²	59.4	12%	0.115	29%	0.287	C	S	.	.	H	α-helix	trans	-73.7	-36.9	-178.1	-176.6	61.6	0	0	0	111.1	I166 G167 S168 E173 I174 P184 W200	I166-L170 HydrophobicContact CB-CD2 4.41Å; I166-L170 HydrophobicContact CD1-CB 4.34Å; I166-L170 HydrophobicContact CD1-CD2 4.09Å; I166-L170 HydrophobicContact CD1-CG 3.97Å; G167-L170 PolarHBondContact O-N 3.43Å; S168-L170 PolarHBondContact O-N 3.23Å; L170-E173 PolarHBondContact O-N 3.43Å; L170-I174 HydrophobicContact CG-CD1 4.22Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.39Å; L170-P184 HydrophobicContact CD1-CB 3.97Å; L170-P184 HydrophobicContact CD1-CG 4.43Å; L170-W200 HydrophobicContact CD2-CB 4.01Å; L170-W200 HydrophobicContact CD2-CG 4.36Å
171	A	90.4	Very high	89.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-46.5	173.8	0	0	0	0	0	111.9	L162 E163 I166 G167 S168 E173 I174 I175	L162-A171 HydrophobicContact CB-CB 4.13Å; L162-A171 HydrophobicContact CD2-CB 4.01Å; L162-A171 HydrophobicContact CG-CB 3.88Å; E163-A171 HydrophobicContact CB-CB 4.29Å; E163-A171 HydrophobicContact CG-CB 3.69Å; I166-A171 HydrophobicContact CD1-CB 4.27Å; I166-A171 HydrophobicContact CG1-CB 4.16Å; G167-A171 WeakPolarHBondContact O-CB 3.15Å; G167-A171 PolarHBondContact O-N 3.19Å; S168-A171 PolarHBondContact O-N 3.21Å; A171-E173 VanDerWaalsContact C-N 3.32Å; A171-E173 PolarHBondContact O-N 2.82Å; A171-I174 PolarHBondContact O-N 3.3Å; A171-I175 WeakPolarHBondContact O-CB 3.43Å; A171-I175 WeakPolarHBondContact O-CD1 3.49Å; A171-I175 WeakPolarHBondContact O-CG1 3.41Å; A171-I175 PolarHBondContact O-N 2.72Å
172	E	90.6	Very high	90.1	Very high	108 Å²	108	62.2 Å²	62.2	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-59.5	-40.7	175.1	-76.2	175.3	-169.7	0	0	112.2	S168 I175 R176	S168-E172 WeakPolarHBondContact O-CB 3.27Å; S168-E172 VanDerWaalsContact O-CG 3.32Å; S168-E172 WeakPolarHBondContact O-CG 3.33Å; S168-E172 PolarHBondContact O-N 3Å; E172-I175 PolarHBondContact O-N 3.47Å; E172-R176 VanDerWaalsContact O-CB 3.26Å; E172-R176 WeakPolarHBondContact O-CB 3.45Å; E172-R176 PolarHBondContact O-N 3.25Å
173	E	90.7	Very high	90.2	Very high	31 Å²	31	64.9 Å²	64.9	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-60.9	-48.1	175.3	-176.9	-178.9	157.5	0	0	111.8	R169 L170 A171 R176 D177 T185	R169-E173 PolarHBondContact O-N 3.49Å; R169-E173 VanDerWaalsContact O-N 3.14Å; L170-E173 PolarHBondContact O-N 3.43Å; A171-E173 VanDerWaalsContact C-N 3.32Å; A171-E173 PolarHBondContact O-N 2.82Å; E173-R176 PolarHBondContact O-N 2.97Å; E173-D177 PolarHBondContact O-N 2.78Å; E173-T185 PolarHBondContact OE1-N 3.03Å; E173-T185 PolarHBondContact OE1-OG1 3.13Å
174	I	92	Very high	90.2	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-45.1	177.5	-70.8	169.8	0	0	0	111	K119 L151 L162 I166 L170 A171 R176 D177 L178 P184 W200 I204	K119-I174 HydrophobicContact CD-CG2 4.3Å; L151-I174 HydrophobicContact CD2-CG2 3.76Å; L162-I174 HydrophobicContact CD2-CB 4.38Å; L162-I174 HydrophobicContact CD2-CD1 4.4Å; L162-I174 HydrophobicContact CD2-CG2 4.13Å; I166-I174 HydrophobicContact CD1-CD1 3.61Å; L170-I174 HydrophobicContact CG-CD1 4.22Å; L170-I174 WeakPolarHBondContact O-CG1 3.25Å; L170-I174 PolarHBondContact O-N 3.39Å; A171-I174 PolarHBondContact O-N 3.3Å; I174-R176 VanDerWaalsContact C-N 3.33Å; I174-R176 PolarHBondContact O-N 3.32Å; I174-D177 CarbonylContact O-C 3.59Å; I174-D177 PolarHBondContact O-N 2.96Å; I174-L178 HydrophobicContact CG2-CD2 4.44Å; I174-L178 PolarHBondContact O-N 3.3Å; I174-P184 HydrophobicContact CD1-CB 4.34Å; I174-P184 HydrophobicContact CD1-CG 4.08Å; I174-P184 HydrophobicContact CG1-CB 3.75Å; I174-P184 HydrophobicContact CG1-CG 3.96Å; I174-W200 HydrophobicContact CD1-CB 4.21Å; I174-I204 HydrophobicContact CD1-CD1 4.43Å
175	I	91.6	Very high	90	Very high	65 Å²	65	60.6 Å²	60.6	33%	0.333	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-36.7	-178.2	-68.7	165	0	0	0	111.2	L155 A171 E172 D177 L178	L155-I175 HydrophobicContact CD1-CG1 3.91Å; L155-I175 HydrophobicContact CD2-CD1 3.98Å; L155-I175 HydrophobicContact CD2-CG1 4.05Å; A171-I175 WeakPolarHBondContact O-CB 3.43Å; A171-I175 WeakPolarHBondContact O-CD1 3.49Å; A171-I175 WeakPolarHBondContact O-CG1 3.41Å; A171-I175 PolarHBondContact O-N 2.72Å; E172-I175 PolarHBondContact O-N 3.47Å; I175-D177 VanDerWaalsContact C-N 3.26Å; I175-D177 PolarHBondContact O-N 3.48Å; I175-L178 WeakPolarHBondContact O-CG 3.31Å
176	R	92.7	Very high	89.1	Confident	194 Å²	194	62.3 Å²	62.3	73%	0.732	31%	0.313	S	S	*	.	H	α-helix	trans	-69.6	-23.1	177.5	-173.2	174.9	60.7	-132.4	-6.6	113	E172 E173 I174	E172-R176 VanDerWaalsContact O-CB 3.26Å; E172-R176 WeakPolarHBondContact O-CB 3.45Å; E172-R176 PolarHBondContact O-N 3.25Å; E173-R176 PolarHBondContact O-N 2.97Å; I174-R176 VanDerWaalsContact C-N 3.33Å; I174-R176 PolarHBondContact O-N 3.32Å
177	D	93.3	Very high	87.1	Confident	68 Å²	68	64.6 Å²	64.6	36%	0.364	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	34.1	-172.7	-168.8	43.9	0	0	0	113.1	K119 E173 I174 I175 D179 S180	K119-D177 WeakPolarHBondContact CD-O 3.45Å; K119-D177 PolarHBondContact NZ-O 3.47Å; K119-D177 IonicContact NZ-OD2 3.99Å; K119-D177 PolarHBondContact NZ-OD2 3.21Å; E173-D177 PolarHBondContact O-N 2.78Å; I174-D177 CarbonylContact O-C 3.59Å; I174-D177 PolarHBondContact O-N 2.96Å; I175-D177 VanDerWaalsContact C-N 3.26Å; I175-D177 PolarHBondContact O-N 3.48Å; D177-D179 PolarHBondContact O-N 2.89Å; D177-D179 VanDerWaalsContact O-N 3.15Å; D177-S180 PolarHBondContact O-N 3.19Å; D177-S180 WeakPolarHBondContact OD1-CB 3.14Å; D177-S180 WeakPolarHBondContact OD2-CB 3.24Å; D177-S180 PolarHBondContact OD2-OG 2.91Å
178	L	95.3	Very high	85.3	Confident	34 Å²	34	69 Å²	69	18%	0.178	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23	-176.9	-76.8	177	0	0	0	114.5	K119 R120 L151 L155 I174 I175	K119-L178 HydrophobicContact CB-CD2 4.29Å; K119-L178 PolarHBondContact N-O 3.15Å; K119-L178 VanDerWaalsContact N-O 3.1Å; R120-L178 HydrophobicContact CB-CB 4.29Å; R120-L178 PolarHBondContact N-O 3.04Å; L151-L178 HydrophobicContact CD2-CD2 3.65Å; L151-L178 HydrophobicContact CG-CD2 4.14Å; L155-L178 HydrophobicContact CD1-CD1 4.05Å; L155-L178 HydrophobicContact CD1-CD2 4.06Å; I174-L178 HydrophobicContact CG2-CD2 4.44Å; I174-L178 PolarHBondContact O-N 3.3Å; I175-L178 WeakPolarHBondContact O-CG 3.31Å
179	D	96.2	Very high	83.1	Confident	116 Å²	116	72 Å²	72	62%	0.62	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-12.6	-176.4	-65.2	-26	0	0	0	114.1	P118 R120 D177	P118-D179 WeakPolarHBondContact CB-O 3.36Å; R120-D179 IonicContact CZ-OD1 3.68Å; R120-D179 IonicContact NE-OD1 2.72Å; R120-D179 VanDerWaalsContact NH1-CA 3.34Å; R120-D179 VanDerWaalsContact NH1-CG 3.35Å; R120-D179 IonicContact NH1-OD1 2.7Å; R120-D179 PolarHBondContact NH1-OD1 3.42Å; D177-D179 PolarHBondContact O-N 2.89Å; D177-D179 VanDerWaalsContact O-N 3.15Å
180	S	95.1	Very high	80.6	Confident	19 Å²	19	66.4 Å²	66.4	13%	0.133	38%	0.379	C	S	.	.			trans	-87.4	142.1	177.3	165.6	0	0	0	0	111.2	K119 D177 L182	K119-S180 WeakPolarHBondContact CG-O 3.49Å; K119-S180 PolarHBondContact N-O 3.44Å; K119-S180 VanDerWaalsContact N-O 3.13Å; K119-S180 PolarHBondContact NZ-O 3.41Å; K119-S180 VanDerWaalsContact NZ-O 3.07Å; K119-S180 PolarHBondContact NZ-OG 2.87Å; D177-S180 PolarHBondContact O-N 3.19Å; D177-S180 WeakPolarHBondContact OD1-CB 3.14Å; D177-S180 WeakPolarHBondContact OD2-CB 3.24Å; D177-S180 PolarHBondContact OD2-OG 2.91Å; S180-L182 VanDerWaalsContact C-N 3.34Å; S180-L182 WeakPolarHBondContact OG-CB 3.32Å; S180-L182 PolarHBondContact OG-N 3.27Å; S180-L182 VanDerWaalsContact OG-N 3.17Å
181	P	92.9	Very high	78.4	Confident	55 Å²	55	74.2 Å²	74.2	36%	0.357	42%	0.415	S	S	.	.			trans	-85.2	-6.2	173.2	36.1	-36.2	0	0	0	113.3	L116 W122	L116-P181 HydrophobicContact CB-CB 3.98Å; W122-P181 WeakPolarHBondContact CZ2-O 3.42Å
182	L	91.6	Very high	76	Confident	115 Å²	115	82.9 Å²	82.9	60%	0.602	46%	0.455	S	S	*	.	S	Bend	trans	-71.5	152.3	-175.9	-62.9	176.1	0	0	0	111.3	K119 S180	K119-L182 WeakPolarHBondContact CE-O 3.32Å; K119-L182 PolarHBondContact NZ-O 3.2Å; S180-L182 VanDerWaalsContact C-N 3.34Å; S180-L182 WeakPolarHBondContact OG-CB 3.32Å; S180-L182 PolarHBondContact OG-N 3.27Å; S180-L182 VanDerWaalsContact OG-N 3.17Å
183	D	89.8	Confident	73.6	Confident	58 Å²	58	83.4 Å²	83.4	31%	0.31	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-66.3	146.6	172.6	-73.4	-16.9	0	0	0	111.6	H88 W200 R206	H88-D183 IonicContact CE1-OD2 3.1Å; H88-D183 IonicContact NE2-OD2 3.29Å; D183-W200 HydrophobicContact CB-CZ2 4.2Å; D183-R206 VanDerWaalsContact CG-NE 3.33Å; D183-R206 IonicContact OD1-CZ 3.95Å; D183-R206 IonicContact OD1-NE 2.84Å; D183-R206 PolarHBondContact OD1-NE 3.46Å; D183-R206 IonicContact OD1-NH2 3.72Å; D183-R206 PolarHBondContact OD1-NH2 3.44Å; D183-R206 IonicContact OD2-CZ 2.98Å; D183-R206 IonicContact OD2-NE 2.83Å; D183-R206 PolarHBondContact OD2-NE 3.26Å; D183-R206 IonicContact OD2-NH2 3.71Å; D183-R206 PolarHBondContact OD2-NH2 2.93Å
184	P	87.5	Confident	71.5	Confident	11 Å²	11	89.2 Å²	89.2	7%	0.071	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-64.1	146.6	170.6	30	-35.2	0	0	0	110.4	L170 I174 D186 W200	L170-P184 HydrophobicContact CD1-CB 3.97Å; L170-P184 HydrophobicContact CD1-CG 4.43Å; I174-P184 HydrophobicContact CD1-CB 4.34Å; I174-P184 HydrophobicContact CD1-CG 4.08Å; I174-P184 HydrophobicContact CG1-CB 3.75Å; I174-P184 HydrophobicContact CG1-CG 3.96Å; P184-D186 PolarHBondContact O-N 3.05Å; P184-W200 HydrophobicContact CG-CD2 3.86Å; P184-W200 HydrophobicContact CG-CG 4.07Å; P184-W200 HydrophobicContact CG-CZ2 3.93Å
185	T	79.4	Confident	69.5	Low	87 Å²	87	95.7 Å²	95.7	53%	0.534	53%	0.528	S	S	.	.			trans	-78.1	108.8	178.2	57.1	0	0	0	0	109.8	E173 S187	E173-T185 PolarHBondContact OE1-N 3.03Å; E173-T185 PolarHBondContact OE1-OG1 3.13Å; T185-S187 PolarHBondContact O-N 3.26Å
186	D	64.2	Low	67.9	Low	73 Å²	73	98.6 Å²	98.6	39%	0.39	56%	0.555	S	S	.	*			trans	-68.3	83.6	172.6	-103.5	-24.7	0	0	0	109.7	P184 S188 W201	P184-D186 PolarHBondContact O-N 3.05Å; D186-S188 PolarHBondContact O-N 3.49Å; D186-S188 VanDerWaalsContact O-N 3.13Å; D186-W201 VanDerWaalsContact OD2-CZ3 3.24Å; D186-W201 WeakPolarHBondContact OD2-CZ3 3.17Å
187	S	46.5	Very low	66.9	Low	55 Å²	55	92.3 Å²	92.3	39%	0.385	53%	0.533	S	S	.	.			trans	-76	12.6	176.2	-59.5	0	0	0	0	112.8	T185 S189	T185-S187 PolarHBondContact O-N 3.26Å; S187-S189 PolarHBondContact O-N 3.42Å
188	S	47.9	Very low	65.9	Low	98 Å²	98	94.2 Å²	94.2	69%	0.685	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	43	-169.6	57	0	0	0	0	114.3	D186	D186-S188 PolarHBondContact O-N 3.49Å; D186-S188 VanDerWaalsContact O-N 3.13Å
189	S	40.2	Very low	65.3	Low	120 Å²	120	94.2 Å²	94.2	84%	0.839	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	12.9	161	58.4	0	0	0	0	113.6	S187	S187-S189 PolarHBondContact O-N 3.42Å
190	G	35.8	Very low	65	Low	62 Å²	62	88.9 Å²	88.9	64%	0.639	51%	0.512	S	S	*	.	S	Bend	trans	-89.8	123.6	172.2	0	0	0	0	0	113	H192	G190-H192 VanDerWaalsContact C-N 3.28Å; G190-H192 PolarHBondContact O-N 2.86Å
191	E	42	Very low	64.8	Low	186 Å²	186	92 Å²	92	87%	0.869	52%	0.521	S	S	*	.	S	Bend	trans	-67.5	25.7	-169.7	-72.4	-174.4	142.2	0	0	118.2
192	H	39.9	Very low	64.4	Low	182 Å²	182	91.5 Å²	91.5	84%	0.843	52%	0.521	S	S	*	.			trans	-136.8	39.8	-169.2	-79.9	-65.4	0	0	0	118.6	G190	G190-H192 VanDerWaalsContact C-N 3.28Å; G190-H192 PolarHBondContact O-N 2.86Å
193	D	41.8	Very low	64.3	Low	119 Å²	119	86.1 Å²	86.1	64%	0.636	49%	0.493	S	S	*	.			trans	-134.7	122.7	161.2	-144.1	-10.9	0	0	0	112.5	Q195 H197	D193-Q195 VanDerWaalsContact C-N 3.32Å; D193-Q195 PolarHBondContact O-N 2.96Å; D193-H197 IonicContact OD2-CE1 2.7Å
194	V	45.8	Very low	64.5	Low	152 Å²	152	83.4 Å²	83.4	92%	0.921	48%	0.478	S	S	*	.			trans	-87.3	-0.7	-166.9	178.5	0	0	0	0	112.2
195	Q	49.5	Very low	64.9	Low	140 Å²	140	83.1 Å²	83.1	65%	0.654	48%	0.476	S	S	*	.	S	Bend	trans	-90.1	126.5	173.8	-99.8	157.2	-34.1	0	0	112.2	D193 H197	D193-Q195 VanDerWaalsContact C-N 3.32Å; D193-Q195 PolarHBondContact O-N 2.96Å; Q195-H197 WeakPolarHBondContact CB-CE1 3.4Å; Q195-H197 PolarHBondContact O-N 3.5Å; Q195-H197 PolarHBondContact O-ND1 3.34Å
196	S	59.1	Low	65.7	Low	126 Å²	126	79.2 Å²	79.2	88%	0.881	45%	0.451	S	S	*	.			trans	-67.6	71.9	171.1	159.6	0	0	0	0	110.4
197	H	70.9	Confident	67.3	Low	62 Å²	62	75.9 Å²	75.9	29%	0.287	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-67.4	148.5	174	-64.4	111.7	0	0	0	110.9	G167 D193 Q195	G167-H197 VanDerWaalsContact CA-CD2 3.45Å; G167-H197 WeakPolarHBondContact CA-CD2 3.47Å; G167-H197 WeakPolarHBondContact CA-NE2 3.28Å; G167-H197 PolarHBondContact N-CD2 3.49Å; D193-H197 IonicContact OD2-CE1 2.7Å; Q195-H197 WeakPolarHBondContact CB-CE1 3.4Å; Q195-H197 PolarHBondContact O-N 3.5Å; Q195-H197 PolarHBondContact O-ND1 3.34Å
198	R	72.2	Confident	69.7	Low	108 Å²	108	73.2 Å²	73.2	41%	0.408	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-82.5	151.5	176	-65.1	-174.9	-178	-170.7	14.4	109.6	V165 W200 I203	V165-R198 HydrophobicContact CG1-CB 4.49Å; V165-R198 PolarHBondContact O-N 3.17Å; R198-W200 PolarHBondContact O-N 3.27Å; R198-I203 HydrophobicContact CB-CD1 4.43Å
199	A	83.8	Confident	72.1	Confident	35 Å²	35	69.9 Å²	69.9	29%	0.289	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-59.6	138.2	166	0	0	0	0	0	110	W201 A202	A199-W201 HydrophobicContact CB-CD2 3.7Å; A199-W201 HydrophobicContact CB-CE3 4.08Å; A199-W201 HydrophobicContact CB-CG 4.34Å; A199-W201 HydrophobicContact CB-CH2 3.7Å; A199-W201 HydrophobicContact CB-CZ2 3.31Å; A199-W201 HydrophobicContact CB-CZ3 4.07Å; A199-W201 PolarHBondContact O-N 2.9Å; A199-A202 VanDerWaalsContact O-CB 3.27Å; A199-A202 WeakPolarHBondContact O-CB 3.41Å; A199-A202 PolarHBondContact O-N 2.89Å
200	W	90	Very high	74.8	Confident	3 Å²	3	64.2 Å²	64.2	1%	0.011	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-61.2	-34.1	-172.9	65.4	-94.9	0	0	0	112.7	W122 I166 L170 I174 D183 P184 R198 A202 I203 I204 R206	W122-W200 HydrophobicContact CE3-CH2 4.49Å; W122-W200 AromaticContact CE3-CZ3 3.96Å; W122-W200 HydrophobicContact CE3-CZ3 3.96Å; W122-W200 HydrophobicContact CH2-CH2 4.07Å; W122-W200 HydrophobicContact CH2-CZ3 4.34Å; W122-W200 HydrophobicContact CZ3-CE3 4.35Å; W122-W200 AromaticContact CZ3-CH2 3.57Å; W122-W200 HydrophobicContact CZ3-CH2 3.57Å; W122-W200 AromaticContact CZ3-CZ3 3.41Å; W122-W200 HydrophobicContact CZ3-CZ3 3.41Å; W122-W200 VanDerWaalsContact CZ3-CZ3 3.41Å; I166-W200 HydrophobicContact CD1-CB 4.08Å; I166-W200 HydrophobicContact CG2-CB 4.33Å; L170-W200 HydrophobicContact CD2-CB 4.01Å; L170-W200 HydrophobicContact CD2-CG 4.36Å; I174-W200 HydrophobicContact CD1-CB 4.21Å; D183-W200 HydrophobicContact CB-CZ2 4.2Å; P184-W200 HydrophobicContact CG-CD2 3.86Å; P184-W200 HydrophobicContact CG-CG 4.07Å; P184-W200 HydrophobicContact CG-CZ2 3.93Å; R198-W200 PolarHBondContact O-N 3.27Å; W200-A202 PolarHBondContact O-N 3.41Å; W200-A202 VanDerWaalsContact O-N 3.16Å; W200-I203 PolarHBondContact O-N 3.07Å; W200-I204 HydrophobicContact CE3-CB 4.34Å; W200-I204 PolarHBondContact O-N 2.75Å; W200-R206 HydrophobicContact CH2-CG 4.17Å; W200-R206 VanDerWaalsContact CH2-NH2 3.26Å; W200-R206 HydrophobicContact CZ3-CG 4.47Å
201	W	89.2	Confident	77.7	Confident	86 Å²	86	61.5 Å²	61.5	33%	0.326	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-67.4	-12.7	178	59.3	78.5	0	0	0	113.7	D92 A93 D186 A199 I204	D92-W201 HydrophobicContact CB-CB 4.4Å; D92-W201 HydrophobicContact CB-CD2 4.01Å; D92-W201 HydrophobicContact CB-CG 3.78Å; A93-W201 HydrophobicContact CB-CB 4.28Å; A93-W201 WeakPolarHBondContact CB-O 3.39Å; D186-W201 VanDerWaalsContact OD2-CZ3 3.24Å; D186-W201 WeakPolarHBondContact OD2-CZ3 3.17Å; A199-W201 HydrophobicContact CB-CD2 3.7Å; A199-W201 HydrophobicContact CB-CE3 4.08Å; A199-W201 HydrophobicContact CB-CG 4.34Å; A199-W201 HydrophobicContact CB-CH2 3.7Å; A199-W201 HydrophobicContact CB-CZ2 3.31Å; A199-W201 HydrophobicContact CB-CZ3 4.07Å; A199-W201 PolarHBondContact O-N 2.9Å; W201-I204 CarbonylContact C-O 3.54Å; W201-I204 VanDerWaalsContact CA-O 3.29Å; W201-I204 WeakPolarHBondContact CA-O 3.49Å
202	A	85.8	Confident	80.3	Confident	43 Å²	43	52.6 Å²	52.6	36%	0.355	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-77.6	-13.2	171.4	0	0	0	0	0	112.5	F128 A199 W200	F128-A202 WeakPolarHBondContact CE2-O 3.39Å; A199-A202 VanDerWaalsContact O-CB 3.27Å; A199-A202 WeakPolarHBondContact O-CB 3.41Å; A199-A202 PolarHBondContact O-N 2.89Å; W200-A202 PolarHBondContact O-N 3.41Å; W200-A202 VanDerWaalsContact O-N 3.16Å
203	I	89.4	Confident	83	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-47.4	-176	-45.4	-55	0	0	0	110.5	V124 F125 F128 V165 I166 R198 W200	V124-I203 HydrophobicContact CG1-CG2 4.48Å; F125-I203 WeakPolarHBondContact CD2-O 3.18Å; F125-I203 PolarHBondContact N-O 3.08Å; F128-I203 HydrophobicContact CB-CG2 4.28Å; F128-I203 HydrophobicContact CD1-CD1 3.67Å; F128-I203 HydrophobicContact CD1-CG2 4.49Å; F128-I203 HydrophobicContact CD2-CD1 4.04Å; F128-I203 HydrophobicContact CD2-CG2 4.16Å; F128-I203 HydrophobicContact CE1-CD1 3.21Å; F128-I203 HydrophobicContact CE2-CD1 3.64Å; F128-I203 HydrophobicContact CG-CD1 4.05Å; F128-I203 HydrophobicContact CG-CG2 4.05Å; F128-I203 HydrophobicContact CZ-CD1 3.2Å; V165-I203 HydrophobicContact CG1-CD1 3.34Å; V165-I203 HydrophobicContact CG1-CG1 3.72Å; I166-I203 HydrophobicContact CG2-CG1 3.78Å; R198-I203 HydrophobicContact CB-CD1 4.43Å; W200-I203 PolarHBondContact O-N 3.07Å
204	I	93.5	Very high	85.3	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.9	-177.3	-54.3	165	0	0	0	108.2	W122 R123 L151 L162 I174 W200 W201	W122-I204 HydrophobicContact CB-CG2 3.63Å; W122-I204 HydrophobicContact CD2-CG2 4.48Å; W122-I204 HydrophobicContact CE3-CG2 3.83Å; W122-I204 HydrophobicContact CG-CG2 4.48Å; R123-I204 CarbonylContact O-C 3.48Å; R123-I204 WeakPolarHBondContact O-CA 3.35Å; L151-I204 HydrophobicContact CD1-CD1 3.63Å; L151-I204 HydrophobicContact CD1-CG1 4.07Å; L151-I204 HydrophobicContact CD2-CD1 4.06Å; L151-I204 HydrophobicContact CG-CD1 4.48Å; L162-I204 HydrophobicContact CD1-CD1 3.68Å; L162-I204 HydrophobicContact CD1-CG1 4.32Å; L162-I204 HydrophobicContact CD2-CD1 4.17Å; I174-I204 HydrophobicContact CD1-CD1 4.43Å; W200-I204 HydrophobicContact CE3-CB 4.34Å; W200-I204 PolarHBondContact O-N 2.75Å; W201-I204 CarbonylContact C-O 3.54Å; W201-I204 VanDerWaalsContact CA-O 3.29Å; W201-I204 WeakPolarHBondContact CA-O 3.49Å
205	Q	95.3	Very high	87.4	Confident	6 Å²	6	37 Å²	37	3%	0.028	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125	175.7	-171.7	173.4	30.4	0	0	109.3	D94 W122 R123 F125 T207	D94-Q205 WeakPolarHBondContact O-CG 3.44Å; D94-Q205 PolarHBondContact O-NE2 2.95Å; W122-Q205 WeakPolarHBondContact CB-O 3.47Å; R123-Q205 HydrophobicContact CB-CB 4.24Å; R123-Q205 PolarHBondContact N-O 2.8Å; R123-Q205 PolarHBondContact O-N 2.87Å; F125-Q205 HydrophobicContact CD2-CB 4.48Å; F125-Q205 HydrophobicContact CE1-CB 4.16Å; F125-Q205 HydrophobicContact CE1-CG 4.39Å; F125-Q205 HydrophobicContact CE2-CB 3.83Å; F125-Q205 HydrophobicContact CE2-CG 4.49Å; F125-Q205 HydrophobicContact CZ-CB 3.65Å; F125-Q205 HydrophobicContact CZ-CG 3.89Å; Q205-T207 PolarHBondContact O-N 2.88Å
206	R	96.7	Very high	89.3	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.015	18%	0.183	C	C	.	.			trans	-51.4	130.7	171.9	-64.6	173.7	-171.3	82.5	-4.4	109.6	H88 D92 V95 Y96 L116 W122 D183 W200	H88-R206 PolarHBondContact NE2-NE 3.03Å; D92-R206 IonicContact OD1-NH1 3.31Å; D92-R206 PolarHBondContact OD1-NH1 3.46Å; D92-R206 IonicContact OD2-CZ 3.9Å; D92-R206 VanDerWaalsContact OD2-CZ 3.3Å; D92-R206 IonicContact OD2-NH1 2.88Å; D92-R206 PolarHBondContact OD2-NH1 3.21Å; D92-R206 IonicContact OD2-NH2 2.67Å; D92-R206 PolarHBondContact OD2-NH2 3.01Å; V95-R206 CarbonylContact C-O 3.4Å; V95-R206 WeakPolarHBondContact CA-O 3.46Å; V95-R206 HydrophobicContact CG1-CB 4.47Å; V95-R206 HydrophobicContact CG2-CB 4.28Å; Y96-R206 PolarHBondContact N-O 2.89Å; L116-R206 HydrophobicContact CD2-CB 4.05Å; W122-R206 HydrophobicContact CD2-CG 4.38Å; W122-R206 HydrophobicContact CE3-CG 4.33Å; W122-R206 HydrophobicContact CH2-CG 3.94Å; W122-R206 HydrophobicContact CZ2-CG 4Å; W122-R206 HydrophobicContact CZ3-CG 4.12Å; D183-R206 VanDerWaalsContact CG-NE 3.33Å; D183-R206 IonicContact OD1-CZ 3.95Å; D183-R206 IonicContact OD1-NE 2.84Å; D183-R206 PolarHBondContact OD1-NE 3.46Å; D183-R206 IonicContact OD1-NH2 3.72Å; D183-R206 PolarHBondContact OD1-NH2 3.44Å; D183-R206 IonicContact OD2-CZ 2.98Å; D183-R206 IonicContact OD2-NE 2.83Å; D183-R206 PolarHBondContact OD2-NE 3.26Å; D183-R206 IonicContact OD2-NH2 3.71Å; D183-R206 PolarHBondContact OD2-NH2 2.93Å; W200-R206 HydrophobicContact CH2-CG 4.17Å; W200-R206 VanDerWaalsContact CH2-NH2 3.26Å; W200-R206 HydrophobicContact CZ3-CG 4.47Å
207	T	97.8	Very high	90.6	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.5	172.7	-58.1	0	0	0	0	108.3	Y96 E117 N121 W122 R123 Q205	Y96-T207 WeakPolarHBondContact O-CA 3.38Å; E117-T207 WeakPolarHBondContact CB-O 3.27Å; E117-T207 HydrophobicContact CG-CG2 4.27Å; E117-T207 PolarHBondContact N-O 2.97Å; N121-T207 WeakPolarHBondContact O-CB 3.26Å; N121-T207 PolarHBondContact O-OG1 3.34Å; W122-T207 WeakPolarHBondContact CA-OG1 3.31Å; R123-T207 PolarHBondContact N-OG1 2.75Å; R123-T207 VanDerWaalsContact N-OG1 3.12Å; Q205-T207 PolarHBondContact O-N 2.88Å
208	G	97.2	Very high	91.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	176.7	178	0	0	0	0	0	112.6	Y96 I97 M115	Y96-G208 PolarHBondContact O-N 2.77Å; I97-G208 VanDerWaalsContact CD1-O 3.28Å; I97-G208 WeakPolarHBondContact CD1-O 3.47Å; M115-G208 CarbonylContact O-C 3.55Å; M115-G208 WeakPolarHBondContact O-CA 3.5Å
209	H	97.3	Very high	92.3	Very high	28 Å²	28	23.6 Å²	23.6	13%	0.13	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.9	170	65.2	-92.3	0	0	0	111.2	S102 V114 M115 E117 V211	S102-H209 WeakPolarHBondContact O-CA 3.38Å; V114-H209 WeakPolarHBondContact CA-O 3.2Å; M115-H209 WeakPolarHBondContact CE-CE1 3.36Å; M115-H209 WeakPolarHBondContact CE-NE2 3.17Å; M115-H209 PolarHBondContact N-O 2.96Å; M115-H209 PolarHBondContact O-N 3.22Å; E117-H209 IonicContact OE1-CE1 2.88Å; E117-H209 IonicContact OE1-CG 2.63Å; E117-H209 IonicContact OE1-ND1 3.16Å; E117-H209 PolarHBondContact OE1-ND1 3.46Å; H209-V211 PolarHBondContact O-N 3.23Å
210	V	97.6	Very high	92.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	117.7	177.2	175.7	0	0	0	0	109	S102 N104 A106 V112 A113 V114 G212	S102-V210 PolarHBondContact O-N 2.78Å; N104-V210 HydrophobicContact CB-CB 4.07Å; N104-V210 HydrophobicContact CB-CG1 4.32Å; N104-V210 WeakPolarHBondContact CB-O 3.08Å; N104-V210 PolarHBondContact ND2-O 3.23Å; A106-V210 HydrophobicContact CB-CG1 4.3Å; V112-V210 HydrophobicContact CB-CG1 3.92Å; V112-V210 HydrophobicContact CB-CG2 3.97Å; V112-V210 HydrophobicContact CG1-CG1 3.91Å; V112-V210 HydrophobicContact CG1-CG2 4.1Å; V112-V210 HydrophobicContact CG2-CG2 4.06Å; A113-V210 WeakPolarHBondContact O-CA 3.3Å; V114-V210 HydrophobicContact CG2-CG2 4.34Å; V210-G212 WeakPolarHBondContact CG1-O 3.49Å
211	V	97.5	Very high	93	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.024	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-20.3	173	-66	0	0	0	0	112.1	H54 W55 L60 L69 A113 M115 H209	H54-V211 VanDerWaalsContact CA-O 3.28Å; H54-V211 WeakPolarHBondContact CA-O 3.39Å; W55-V211 HydrophobicContact CD2-CB 4.05Å; W55-V211 HydrophobicContact CD2-CG2 4.3Å; W55-V211 HydrophobicContact CE3-CG2 4.33Å; W55-V211 HydrophobicContact CG-CB 4.3Å; W55-V211 HydrophobicContact CZ2-CB 4.38Å; W55-V211 HydrophobicContact CZ2-CG1 4.03Å; W55-V211 PolarHBondContact N-O 3.16Å; W55-V211 VanDerWaalsContact N-O 3.11Å; L60-V211 HydrophobicContact CD2-CG2 3.77Å; L69-V211 HydrophobicContact CD1-CG2 3.8Å; L69-V211 HydrophobicContact CD2-CG2 3.65Å; L69-V211 HydrophobicContact CG-CG2 4.36Å; A113-V211 HydrophobicContact CB-CG2 3.96Å; A113-V211 WeakPolarHBondContact O-CG2 3.34Å; A113-V211 PolarHBondContact O-N 3.5Å; M115-V211 HydrophobicContact CB-CG1 3.6Å; M115-V211 HydrophobicContact CE-CG1 4.23Å; H209-V211 PolarHBondContact O-N 3.23Å
212	G	96.9	Very high	93.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	166.1	177.7	0	0	0	0	0	113.8	A113 V210	A113-G212 PolarHBondContact N-O 2.96Å; V210-G212 WeakPolarHBondContact CG1-O 3.49Å
213	I	95.5	Very high	93.6	Very high	34 Å²	34	19.2 Å²	19.2	17%	0.174	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	112.7	176.7	-56.7	172.1	0	0	0	107.3	A106 D110 I111 V112	A106-I213 HydrophobicContact CB-CD1 4.13Å; A106-I213 HydrophobicContact CB-CG1 4.07Å; D110-I213 HydrophobicContact CB-CG2 4.17Å; I111-I213 CarbonylContact O-C 3.6Å; V112-I213 HydrophobicContact CG1-CG1 4.48Å
214	L	90.6	Very high	93.8	Very high	22 Å²	22	19.1 Å²	19.1	12%	0.115	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-42.5	176.8	-71.9	162.5	0	0	0	110.8	L60 V64 I111 A113	L60-L214 HydrophobicContact CB-CD2 3.67Å; L60-L214 HydrophobicContact CD1-CD2 4.41Å; V64-L214 HydrophobicContact CG2-CD1 4.12Å; I111-L214 HydrophobicContact CB-CB 4.34Å; I111-L214 HydrophobicContact CG2-CB 4.09Å; I111-L214 HydrophobicContact CG2-CD1 4.14Å; I111-L214 PolarHBondContact O-N 3.28Å; A113-L214 HydrophobicContact CB-CD1 4.1Å; A113-L214 HydrophobicContact CB-CG 4.14Å
215	Q	88.6	Confident	93.8	Very high	68 Å²	68	20.6 Å²	20.6	32%	0.318	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	123.1	177.6	-166	178.7	7.9	0	0	110.7	I111 L217 V823	I111-Q215 HydrophobicContact CB-CB 3.92Å; I111-Q215 HydrophobicContact CG1-CB 3.8Å; I111-Q215 PolarHBondContact N-O 3.09Å; I111-Q215 PolarHBondContact O-N 2.95Å; Q215-L217 HydrophobicContact CG-CD2 3.75Å; Q215-L217 HydrophobicContact CG-CG 4.37Å; Q215-L217 PolarHBondContact O-N 3.13Å; Q215-L217 VanDerWaalsContact O-N 3.16Å; Q215-V823 VanDerWaalsContact NE2-CG2 3.26Å
216	S	90.8	Very high	93.7	Very high	64 Å²	64	20.3 Å²	20.3	45%	0.448	11%	0.109	S	C	.	.			trans	-81.2	88.5	176.7	168.6	0	0	0	0	110.1	D110 H218 R220	D110-S216 WeakPolarHBondContact OD1-CA 3.47Å; S216-H218 PolarHBondContact OG-O 3.36Å; S216-R220 PolarHBondContact OG-NE 3.04Å; S216-R220 PolarHBondContact OG-NH1 3.09Å; S216-R220 PolarHBondContact OG-NH2 3.47Å
217	L	86	Confident	93.4	Very high	23 Å²	23	23.5 Å²	23.5	12%	0.12	12%	0.124	C	C	.	.			trans	-81.6	-26.5	178.9	-64.3	-170.6	0	0	0	113.2	N109 D110 I111 Q215 V823	N109-L217 WeakPolarHBondContact O-CB 3.39Å; N109-L217 WeakPolarHBondContact O-CD1 3.49Å; D110-L217 PolarHBondContact OD1-N 3.15Å; D110-L217 VanDerWaalsContact OD1-N 3.1Å; I111-L217 HydrophobicContact CD1-CD1 3.7Å; I111-L217 HydrophobicContact CD1-CG 4.43Å; I111-L217 HydrophobicContact CG1-CD1 3.88Å; I111-L217 HydrophobicContact CG1-CG 4.11Å; Q215-L217 HydrophobicContact CG-CD2 3.75Å; Q215-L217 HydrophobicContact CG-CG 4.37Å; Q215-L217 PolarHBondContact O-N 3.13Å; Q215-L217 VanDerWaalsContact O-N 3.16Å; L217-V823 HydrophobicContact CD2-CG2 4.08Å
218	H	90.6	Very high	93	Very high	32 Å²	32	24 Å²	24	15%	0.148	13%	0.126	C	C	.	.	S	Bend	trans	-74.9	134.1	173.7	177.1	-76.1	0	0	0	110.5	L107 P108 D110 S216 R220 L273	L107-H218 HydrophobicContact CB-CB 4.09Å; L107-H218 WeakPolarHBondContact CD1-ND1 3.34Å; P108-H218 WeakPolarHBondContact O-CB 3.42Å; D110-H218 PolarHBondContact OD1-N 2.89Å; D110-H218 VanDerWaalsContact OD1-N 3.15Å; S216-H218 PolarHBondContact OG-O 3.36Å; H218-R220 VanDerWaalsContact CB-NH1 3.29Å; H218-R220 WeakPolarHBondContact ND1-CA 3.39Å; H218-R220 PolarHBondContact ND1-N 3.31Å; H218-R220 PolarHBondContact O-N 2.93Å; H218-R220 PolarHBondContact O-NH1 3.31Å; H218-L273 WeakPolarHBondContact NE2-CD2 3.37Å
219	S	89.1	Confident	92.2	Very high	37 Å²	37	25.3 Å²	25.3	26%	0.259	14%	0.135	S	C	.	.			trans	-63.5	-11.6	-173.8	64.5	0	0	0	0	114.6	A221	S219-A221 PolarHBondContact O-N 2.75Å; S219-A221 PolarHBondContact OG-N 2.92Å; S219-A221 PolarHBondContact OG-O 3.48Å; S219-A221 VanDerWaalsContact OG-O 3.13Å
220	R	94.3	Very high	90.9	Very high	40 Å²	40	28.2 Å²	28.2	15%	0.151	16%	0.158	C	C	.	.	S	Bend	trans	63.9	-0.7	-170.5	-52.7	-54.1	-173.7	-113.7	17.6	113.5	L107 D110 S216 H218 R302 I303	L107-R220 VanDerWaalsContact CD1-CD 3.49Å; D110-R220 VanDerWaalsContact CG-NH2 3.32Å; D110-R220 IonicContact OD1-CZ 2.82Å; D110-R220 IonicContact OD1-NH1 3.79Å; D110-R220 PolarHBondContact OD1-NH1 2.8Å; D110-R220 IonicContact OD1-NH2 3.23Å; D110-R220 PolarHBondContact OD1-NH2 3.3Å; D110-R220 IonicContact OD2-CZ 2.82Å; D110-R220 IonicContact OD2-NH1 3.87Å; D110-R220 PolarHBondContact OD2-NH1 3.46Å; D110-R220 IonicContact OD2-NH2 3.53Å; D110-R220 PolarHBondContact OD2-NH2 3.41Å; S216-R220 PolarHBondContact OG-NE 3.04Å; S216-R220 PolarHBondContact OG-NH1 3.09Å; S216-R220 PolarHBondContact OG-NH2 3.47Å; H218-R220 VanDerWaalsContact CB-NH1 3.29Å; H218-R220 WeakPolarHBondContact ND1-CA 3.39Å; H218-R220 PolarHBondContact ND1-N 3.31Å; H218-R220 PolarHBondContact O-N 2.93Å; H218-R220 PolarHBondContact O-NH1 3.31Å; R220-R302 WeakPolarHBondContact O-CA 3.29Å; R220-I303 HydrophobicContact CB-CB 4.25Å; R220-I303 PolarHBondContact O-N 3.25Å
221	A	94.1	Very high	89.3	Confident	4 Å²	4	35.1 Å²	35.1	3%	0.033	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.8	171.9	0	0	0	0	0	110.6	S219 G301 R302 L318 I343	S219-A221 PolarHBondContact O-N 2.75Å; S219-A221 PolarHBondContact OG-N 2.92Å; S219-A221 PolarHBondContact OG-O 3.48Å; S219-A221 VanDerWaalsContact OG-O 3.13Å; A221-G301 CarbonylContact C-O 3.59Å; A221-G301 WeakPolarHBondContact CA-O 3.21Å; A221-R302 HydrophobicContact CB-CB 4.29Å; A221-L318 HydrophobicContact CB-CD1 4.45Å; A221-I343 HydrophobicContact CB-CB 4.36Å; A221-I343 HydrophobicContact CB-CD1 3.61Å; A221-I343 HydrophobicContact CB-CG1 3.71Å; A221-I343 HydrophobicContact CB-CG2 3.74Å
222	F	93.5	Very high	87.2	Confident	9 Å²	9	38.6 Å²	38.6	4%	0.039	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	164.5	-175	57.3	-84.2	0	0	0	110	L266 P268 L273 V276 I300 G301 I303	F222-L266 HydrophobicContact CD2-CD2 4.5Å; F222-L266 HydrophobicContact CE2-CD2 3.51Å; F222-L266 HydrophobicContact CE2-CG 3.86Å; F222-L266 HydrophobicContact CZ-CD2 3.66Å; F222-L266 HydrophobicContact CZ-CG 4.33Å; F222-P268 HydrophobicContact CD2-CB 3.68Å; F222-P268 HydrophobicContact CD2-CG 3.75Å; F222-P268 HydrophobicContact CE2-CB 4.09Å; F222-P268 HydrophobicContact CE2-CG 3.66Å; F222-P268 HydrophobicContact CZ-CG 4.49Å; F222-L273 HydrophobicContact CB-CD1 3.36Å; F222-L273 HydrophobicContact CD1-CD1 4.31Å; F222-L273 HydrophobicContact CD2-CD1 4.47Å; F222-L273 HydrophobicContact CG-CD1 3.79Å; F222-V276 HydrophobicContact CE1-CG2 3.72Å; F222-V276 HydrophobicContact CE2-CG2 4.14Å; F222-V276 HydrophobicContact CZ-CB 3.89Å; F222-V276 HydrophobicContact CZ-CG2 3.2Å; F222-I300 WeakPolarHBondContact O-CA 3.27Å; F222-G301 PolarHBondContact N-O 3.49Å; F222-G301 PolarHBondContact O-N 3.37Å; F222-I303 HydrophobicContact CE1-CD1 4.39Å; F222-I303 HydrophobicContact CE1-CG1 4.02Å
223	I	92.5	Very high	85	Confident	21 Å²	21	43.5 Å²	43.5	11%	0.108	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.5	-179.2	-56.8	174.2	0	0	0	108.7	P268 T269 R298 F299 I300 L321 R335 V338	I223-P268 CarbonylContact O-C 3.49Å; I223-P268 WeakPolarHBondContact O-CA 3.38Å; I223-T269 PolarHBondContact O-N 2.86Å; I223-T269 PolarHBondContact O-OG1 2.99Å; I223-R298 HydrophobicContact CG2-CB 4.13Å; I223-R298 HydrophobicContact CG2-CG 4.48Å; I223-F299 CarbonylContact C-O 3.47Å; I223-F299 VanDerWaalsContact CA-O 3.31Å; I223-F299 WeakPolarHBondContact CA-O 3.44Å; I223-I300 HydrophobicContact CG1-CG1 4.14Å; I223-L321 HydrophobicContact CD1-CD1 3.95Å; I223-L321 HydrophobicContact CG1-CD1 4.31Å; I223-L321 HydrophobicContact CG2-CD1 4.05Å; I223-R335 HydrophobicContact CD1-CB 3.98Å; I223-R335 HydrophobicContact CD1-CG 3.29Å; I223-V338 HydrophobicContact CD1-CB 4.27Å; I223-V338 HydrophobicContact CD1-CG1 4.28Å; I223-V338 HydrophobicContact CG1-CB 4.47Å; I223-V338 HydrophobicContact CG1-CG1 3.97Å
224	G	93.6	Very high	82.3	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	177	178.7	0	0	0	0	0	113.5	L266 I267 F299	G224-L266 VanDerWaalsContact C-CD1 3.5Å; G224-I267 CarbonylContact C-O 3.32Å; G224-I267 WeakPolarHBondContact CA-O 3.39Å; G224-F299 PolarHBondContact N-O 2.9Å; G224-F299 PolarHBondContact O-N 2.94Å
225	N	93.4	Very high	79.5	Confident	32 Å²	32	49.2 Å²	49.2	17%	0.171	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.2	-178.1	-60.4	38.7	0	0	0	109.1	I267 K295	N225-I267 PolarHBondContact N-O 3.42Å; N225-I267 PolarHBondContact O-N 3.35Å; N225-K295 PolarHBondContact ND2-O 2.78Å
226	L	93.5	Very high	76.8	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.1	-177.7	-161.5	66.1	0	0	0	110.4	A264 L266 I278 C283 F287 F299 L317	L226-A264 HydrophobicContact CD1-CB 3.63Å; L226-A264 HydrophobicContact CD2-CB 4.37Å; L226-A264 HydrophobicContact CG-CB 3.93Å; L226-L266 HydrophobicContact CD1-CB 4.37Å; L226-I278 HydrophobicContact CD1-CB 4.21Å; L226-I278 HydrophobicContact CD1-CG1 3.98Å; L226-C283 HydrophobicContact CD2-CB 4.22Å; L226-F287 HydrophobicContact CB-CD2 4.39Å; L226-F287 HydrophobicContact CB-CE2 4.05Å; L226-F287 HydrophobicContact CB-CZ 4.38Å; L226-F287 HydrophobicContact CD2-CB 4.39Å; L226-F287 HydrophobicContact CD2-CD1 3.57Å; L226-F287 HydrophobicContact CD2-CD2 3.83Å; L226-F287 HydrophobicContact CD2-CE1 3.64Å; L226-F287 HydrophobicContact CD2-CE2 3.9Å; L226-F287 HydrophobicContact CD2-CG 3.65Å; L226-F287 HydrophobicContact CD2-CZ 3.81Å; L226-F287 HydrophobicContact CG-CD1 4.38Å; L226-F287 HydrophobicContact CG-CD2 4.25Å; L226-F287 HydrophobicContact CG-CE1 3.98Å; L226-F287 HydrophobicContact CG-CE2 3.84Å; L226-F287 HydrophobicContact CG-CG 4.49Å; L226-F287 HydrophobicContact CG-CZ 3.69Å; L226-F299 HydrophobicContact CB-CD2 4.24Å; L226-F299 HydrophobicContact CB-CE2 4.19Å; L226-L317 HydrophobicContact CD1-CD1 4.34Å; L226-L317 HydrophobicContact CD2-CD1 3.94Å
227	Q	91.9	Very high	74	Confident	70 Å²	70	61.5 Å²	61.5	33%	0.327	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.5	176.6	-65.4	-172.3	0.4	0	0	111.4	V265 I267	Q227-V265 PolarHBondContact N-O 2.66Å; Q227-V265 PolarHBondContact O-N 3.08Å; Q227-I267 HydrophobicContact CB-CD1 4.33Å; Q227-I267 VanDerWaalsContact CD-CD1 3.41Å; Q227-I267 HydrophobicContact CG-CD1 4.06Å
228	I	88.4	Confident	71.3	Confident	15 Å²	15	66.6 Å²	66.6	8%	0.077	35%	0.348	C	S	.	.			trans	-72.6	136.6	165.8	-66.3	-176	0	0	0	108.5	S230 F232 Q233 L258 W261 F287 P291	I228-S230 PolarHBondContact O-N 3.06Å; I228-F232 HydrophobicContact CG2-CB 3.75Å; I228-Q233 PolarHBondContact O-NE2 3.31Å; I228-L258 HydrophobicContact CD1-CD2 4.37Å; I228-W261 HydrophobicContact CD1-CZ2 4.3Å; I228-W261 HydrophobicContact CG1-CZ2 4.24Å; I228-W261 HydrophobicContact CG2-CG 4.31Å; I228-F287 HydrophobicContact CG1-CE1 4.37Å; I228-F287 HydrophobicContact CG1-CZ 3.94Å; I228-P291 HydrophobicContact CD1-CB 3.83Å; I228-P291 HydrophobicContact CD1-CG 3.32Å; I228-P291 HydrophobicContact CG1-CB 4.05Å; I228-P291 HydrophobicContact CG1-CG 4.05Å
229	P	81	Confident	68.3	Low	27 Å²	27	70.1 Å²	70.1	18%	0.175	38%	0.377	C	S	.	.			trans	-51.7	139.2	173.8	-18.9	24.4	0	0	0	111.8	N231 F232 N263 V265	P229-N231 PolarHBondContact O-N 2.99Å; P229-F232 HydrophobicContact CB-CD2 4.4Å; P229-F232 PolarHBondContact O-N 3.37Å; P229-N263 WeakPolarHBondContact CD-O 3.36Å; P229-N263 WeakPolarHBondContact CG-O 3.34Å; P229-V265 HydrophobicContact CB-CG2 4.27Å; P229-V265 HydrophobicContact CG-CG2 3.89Å
230	S	69.8	Low	65.6	Low	89 Å²	89	73.9 Å²	73.9	62%	0.622	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-52.5	-28.4	-175.9	50.6	0	0	0	0	114.8	I228 F232 Q233	I228-S230 PolarHBondContact O-N 3.06Å; S230-F232 PolarHBondContact O-N 2.96Å; S230-Q233 PolarHBondContact O-N 3.05Å
231	N	63.3	Low	62.5	Low	146 Å²	146	82.2 Å²	82.2	78%	0.781	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-69.2	-12.1	179.4	-62.2	5.7	0	0	0	113.7	P229	P229-N231 PolarHBondContact O-N 2.99Å
232	F	55	Low	59.3	Low	77 Å²	77	85 Å²	85	34%	0.338	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-123.7	8.5	-177.5	-64.5	-85.8	0	0	0	113.1	I228 P229 S230 N260 W261	I228-F232 HydrophobicContact CG2-CB 3.75Å; P229-F232 HydrophobicContact CB-CD2 4.4Å; P229-F232 PolarHBondContact O-N 3.37Å; S230-F232 PolarHBondContact O-N 2.96Å; F232-N260 HydrophobicContact CE1-CB 4.13Å; F232-W261 HydrophobicContact CB-CB 4.17Å; F232-W261 HydrophobicContact CD1-CB 4.13Å; F232-W261 HydrophobicContact CD2-CB 3.79Å; F232-W261 HydrophobicContact CE1-CB 4.45Å; F232-W261 HydrophobicContact CE2-CB 4.15Å; F232-W261 HydrophobicContact CG-CB 3.78Å; F232-W261 HydrophobicContact CZ-CB 4.46Å
233	Q	49.5	Very low	56.4	Low	102 Å²	102	92.5 Å²	92.5	48%	0.477	51%	0.507	S	S	.	.	S	Bend	trans	-67.9	135.6	171.5	-69.5	-180	6.7	0	0	108.7	I228 S230	I228-Q233 PolarHBondContact O-NE2 3.31Å; S230-Q233 PolarHBondContact O-N 3.05Å
234	T	39.8	Very low	53.4	Low	67 Å²	67	100 Å²	100	41%	0.411	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-51.9	134.2	172.1	34.6	0	0	0	0	108.9	K236 L258	T234-K236 PolarHBondContact O-N 3.11Å; T234-L258 HydrophobicContact CG2-CD1 3.8Å; T234-L258 HydrophobicContact CG2-CD2 4.05Å; T234-L258 HydrophobicContact CG2-CG 3.86Å
235	P	31.1	Very low	50.4	Low	109 Å²	109	107.1 Å²	107.1	71%	0.708	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-51.8	123.7	168.3	-20.1	29.5	0	0	0	107	K237	P235-K237 PolarHBondContact O-N 3.17Å
236	K	32.6	Very low	47.5	Very low	193 Å²	193	112.8 Å²	112.8	84%	0.839	61%	0.61	S	S	*	*			trans	-44.4	119.8	168	-74.5	-178	177.5	-179.5	0	105.9	T234 V238	T234-K236 PolarHBondContact O-N 3.11Å; K236-V238 VanDerWaalsContact C-N 3.34Å; K236-V238 PolarHBondContact O-N 2.71Å
237	K	31.1	Very low	44.4	Very low	197 Å²	197	120.9 Å²	120.9	86%	0.857	65%	0.654	S	S	*	*			trans	-45.4	105.8	173.4	-84.3	-178.6	175.5	177.9	0	106.6	P235 S239	P235-K237 PolarHBondContact O-N 3.17Å; K237-S239 VanDerWaalsContact C-N 3.29Å; K237-S239 PolarHBondContact O-N 3.25Å
238	V	29.4	Very low	41.6	Very low	130 Å²	130	125.5 Å²	125.5	79%	0.788	68%	0.675	S	S	*	*			trans	-62.7	105.5	164.7	175.5	0	0	0	0	102.6	K236 P240	K236-V238 VanDerWaalsContact C-N 3.34Å; K236-V238 PolarHBondContact O-N 2.71Å; V238-P240 WeakPolarHBondContact O-CD 3.46Å
239	S	26.7	Very low	38.7	Very low	106 Å²	106	132 Å²	132	74%	0.741	72%	0.716	S	S	*	*			trans	-51.6	110.6	178.8	-46.9	0	0	0	0	107.6	K237 K241	K237-S239 VanDerWaalsContact C-N 3.29Å; K237-S239 PolarHBondContact O-N 3.25Å; S239-K241 PolarHBondContact O-N 3.04Å; S239-K241 VanDerWaalsContact O-N 3.16Å
240	P	32.3	Very low	36.3	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	74%	0.736	S	S	*	*			trans	-71.7	116.4	171.3	-8.2	26.2	0	0	0	105.4	V238 G242	V238-P240 WeakPolarHBondContact O-CD 3.46Å; P240-G242 PolarHBondContact O-N 2.86Å; P240-G242 VanDerWaalsContact O-N 3.09Å
241	K	29.3	Very low	34.5	Very low	215 Å²	215	138 Å²	138	94%	0.935	74%	0.741	S	S	*	*			trans	-58.4	108.3	159.9	-71.5	178.7	173.4	-179	0	106.4	S239	S239-K241 PolarHBondContact O-N 3.04Å; S239-K241 VanDerWaalsContact O-N 3.16Å
242	G	28.4	Very low	32.8	Very low	64 Å²	64	139 Å²	139	66%	0.66	74%	0.744	S	S	*	*			trans	159	104.5	174.5	0	0	0	0	0	114.2	P240	P240-G242 PolarHBondContact O-N 2.86Å; P240-G242 VanDerWaalsContact O-N 3.09Å
243	D	32.2	Very low	31.7	Very low	165 Å²	165	145 Å²	145	88%	0.882	76%	0.764	S	S	*	*			trans	61.3	106.3	152.3	-63	-17.3	0	0	0	120.9	N245	D243-N245 PolarHBondContact O-N 3.16Å
244	Q	29.9	Very low	31	Very low	180 Å²	180	146 Å²	146	84%	0.841	78%	0.777	S	S	*	*			trans	-53.2	115.7	153	-59	172.2	4.8	0	0	109.3
245	N	30.4	Very low	31.4	Very low	148 Å²	148	146 Å²	146	79%	0.791	78%	0.775	S	S	*	*			trans	175.6	107.2	140.7	-89.5	-23.3	0	0	0	110.7	D243	D243-N245 PolarHBondContact O-N 3.16Å
246	N	32.1	Very low	32	Very low	151 Å²	151	145.5 Å²	145.5	81%	0.807	77%	0.771	S	S	*	*				149	117.5	129.8	-82.3	-20	0	0	0	112	Q248	N246-Q248 PolarHBondContact O-N 3.37Å; N246-Q248 VanDerWaalsContact O-N 3.12Å
247	N	29.2	Very low	32.8	Very low	172 Å²	172	138.9 Å²	138.9	92%	0.92	75%	0.753	S	S	*	*			trans	-62.2	99	162.7	-74.9	-26.5	0	0	0	109.6
248	Q	31.4	Very low	33.9	Very low	167 Å²	167	132.4 Å²	132.4	78%	0.78	73%	0.728	S	S	*	*			trans	-141.2	120.3	152.1	-70.2	-166.3	6.4	0	0	108.9	N246 E250	N246-Q248 PolarHBondContact O-N 3.37Å; N246-Q248 VanDerWaalsContact O-N 3.12Å; Q248-E250 PolarHBondContact O-N 3.36Å
249	T	28.3	Very low	35.4	Very low	151 Å²	151	129.3 Å²	129.3	93%	0.926	71%	0.711	S	S	*	*			trans	-66.6	78.6	175	-25.6	0	0	0	0	108.6
250	E	30.6	Very low	37.7	Very low	126 Å²	126	129.9 Å²	129.9	59%	0.589	71%	0.706	S	S	*	*			trans	-69.8	130.3	169.3	-83.8	-160.5	177.1	0	0	109.1	Q248 R253	Q248-E250 PolarHBondContact O-N 3.36Å; E250-R253 IonicContact OE1-NH2 3.42Å; E250-R253 IonicContact OE2-CZ 2.71Å; E250-R253 IonicContact OE2-NE 3.5Å; E250-R253 PolarHBondContact OE2-NE 3.26Å; E250-R253 IonicContact OE2-NH2 2.67Å; E250-R253 PolarHBondContact OE2-NH2 3.13Å; E250-R253 VanDerWaalsContact OE2-NH2 3.13Å
251	P	31.1	Very low	40.1	Very low	115 Å²	115	124.6 Å²	124.6	75%	0.747	67%	0.671	S	S	*	*			trans	-64.6	143.1	177.5	25.7	-31	0	0	0	110.5	R253	P251-R253 PolarHBondContact O-N 3.05Å
252	M	28.3	Very low	43	Very low	168 Å²	168	124.3 Å²	124.3	83%	0.828	66%	0.664	S	S	*	*			trans	-37.1	106.5	-179.6	-92.5	172.8	61.6	0	0	112.3	T254	M252-T254 PolarHBondContact O-N 3.03Å; M252-T254 VanDerWaalsContact O-N 3.1Å
253	R	32.3	Very low	46	Very low	203 Å²	203	123.6 Å²	123.6	77%	0.766	65%	0.645	S	S	*	*			trans	-64.4	109	163.3	-69.6	-174.2	-172.5	-163.9	1.1	107.7	E250 P251 D255	E250-R253 IonicContact OE1-NH2 3.42Å; E250-R253 IonicContact OE2-CZ 2.71Å; E250-R253 IonicContact OE2-NE 3.5Å; E250-R253 PolarHBondContact OE2-NE 3.26Å; E250-R253 IonicContact OE2-NH2 2.67Å; E250-R253 PolarHBondContact OE2-NH2 3.13Å; E250-R253 VanDerWaalsContact OE2-NH2 3.13Å; P251-R253 PolarHBondContact O-N 3.05Å; R253-D255 PolarHBondContact O-N 2.89Å; R253-D255 VanDerWaalsContact O-N 3.16Å
254	T	34.5	Very low	48.9	Very low	123 Å²	123	115.8 Å²	115.8	76%	0.755	60%	0.603	S	S	*	*			trans	-68.5	104	166.2	39.7	0	0	0	0	107.9	M252 P256	M252-T254 PolarHBondContact O-N 3.03Å; M252-T254 VanDerWaalsContact O-N 3.1Å; T254-P256 VanDerWaalsContact O-CD 3.3Å; T254-P256 WeakPolarHBondContact O-CD 3.35Å
255	D	47.1	Very low	52	Low	67 Å²	67	107.9 Å²	107.9	36%	0.358	57%	0.568	S	S	.	*			trans	-60.8	119.4	175.2	-169.6	-15.7	0	0	0	109.1	R253 A257 L258	R253-D255 PolarHBondContact O-N 2.89Å; R253-D255 VanDerWaalsContact O-N 3.16Å; D255-A257 PolarHBondContact O-N 3.37Å; D255-A257 VanDerWaalsContact O-N 3.08Å; D255-A257 WeakPolarHBondContact OD1-CB 3.29Å; D255-A257 PolarHBondContact OD1-N 3.19Å; D255-A257 VanDerWaalsContact OD1-N 3.17Å; D255-L258 HydrophobicContact CB-CD1 4Å; D255-L258 HydrophobicContact CB-CG 4.47Å; D255-L258 WeakPolarHBondContact O-CB 3.48Å; D255-L258 PolarHBondContact O-N 3.47Å
256	P	45.5	Very low	55.1	Low	98 Å²	98	100.9 Å²	100.9	64%	0.636	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-57	-24.4	179.2	-23.1	32.5	0	0	0	113.2	T254 L258 S259	T254-P256 VanDerWaalsContact O-CD 3.3Å; T254-P256 WeakPolarHBondContact O-CD 3.35Å; P256-L258 VanDerWaalsContact C-N 3.27Å; P256-L258 PolarHBondContact O-N 3.44Å; P256-S259 PolarHBondContact O-N 2.95Å; P256-S259 PolarHBondContact O-OG 2.88Å
257	A	49.2	Very low	58.1	Low	55 Å²	55	95.8 Å²	95.8	46%	0.455	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-66.4	-26.4	177.8	0	0	0	0	0	113.4	D255 S259	D255-A257 PolarHBondContact O-N 3.37Å; D255-A257 VanDerWaalsContact O-N 3.08Å; D255-A257 WeakPolarHBondContact OD1-CB 3.29Å; D255-A257 PolarHBondContact OD1-N 3.19Å; D255-A257 VanDerWaalsContact OD1-N 3.17Å; A257-S259 VanDerWaalsContact C-N 3.28Å; A257-S259 PolarHBondContact O-N 2.93Å
258	L	53.4	Low	61.2	Low	61 Å²	61	88.4 Å²	88.4	32%	0.319	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-72.6	-16.1	176.7	-78.8	159.3	0	0	0	113.1	I228 T234 D255 P256 W261	I228-L258 HydrophobicContact CD1-CD2 4.37Å; T234-L258 HydrophobicContact CG2-CD1 3.8Å; T234-L258 HydrophobicContact CG2-CD2 4.05Å; T234-L258 HydrophobicContact CG2-CG 3.86Å; D255-L258 HydrophobicContact CB-CD1 4Å; D255-L258 HydrophobicContact CB-CG 4.47Å; D255-L258 WeakPolarHBondContact O-CB 3.48Å; D255-L258 PolarHBondContact O-N 3.47Å; P256-L258 VanDerWaalsContact C-N 3.27Å; P256-L258 PolarHBondContact O-N 3.44Å; L258-W261 PolarHBondContact O-NE1 2.97Å; L258-W261 VanDerWaalsContact O-NE1 3.15Å
259	S	61.1	Low	64	Low	64 Å²	64	85 Å²	85	45%	0.448	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-89.9	-17.5	-173.7	83.5	0	0	0	0	114.7	P256 A257 R280	P256-S259 PolarHBondContact O-N 2.95Å; P256-S259 PolarHBondContact O-OG 2.88Å; A257-S259 VanDerWaalsContact C-N 3.28Å; A257-S259 PolarHBondContact O-N 2.93Å; S259-R280 PolarHBondContact O-NH1 2.84Å
260	N	74.3	Confident	66.9	Low	118 Å²	118	79.9 Å²	79.9	63%	0.631	42%	0.422	S	S	*	.			trans	-91.3	1.1	-165.8	-79.4	-13.3	0	0	0	116.4	F232	F232-N260 HydrophobicContact CE1-CB 4.13Å
261	W	83.9	Confident	69.8	Low	5 Å²	5	77.7 Å²	77.7	2%	0.019	42%	0.417	C	S	.	.			trans	-79.4	137.3	175.8	62.9	-93	0	0	0	111.3	I228 F232 L258 N263 A264 R280 F287 L288	I228-W261 HydrophobicContact CD1-CZ2 4.3Å; I228-W261 HydrophobicContact CG1-CZ2 4.24Å; I228-W261 HydrophobicContact CG2-CG 4.31Å; F232-W261 HydrophobicContact CB-CB 4.17Å; F232-W261 HydrophobicContact CD1-CB 4.13Å; F232-W261 HydrophobicContact CD2-CB 3.79Å; F232-W261 HydrophobicContact CE1-CB 4.45Å; F232-W261 HydrophobicContact CE2-CB 4.15Å; F232-W261 HydrophobicContact CG-CB 3.78Å; F232-W261 HydrophobicContact CZ-CB 4.46Å; L258-W261 PolarHBondContact O-NE1 2.97Å; L258-W261 VanDerWaalsContact O-NE1 3.15Å; W261-N263 VanDerWaalsContact CZ3-C 3.48Å; W261-A264 HydrophobicContact CH2-CB 4.01Å; W261-A264 HydrophobicContact CZ3-CB 3.72Å; W261-R280 HydrophobicContact CE3-CB 4.06Å; W261-R280 HydrophobicContact CE3-CG 4.24Å; W261-R280 HydrophobicContact CH2-CB 4.02Å; W261-R280 HydrophobicContact CH2-CG 3.69Å; W261-R280 HydrophobicContact CZ2-CG 4.19Å; W261-R280 HydrophobicContact CZ3-CB 3.54Å; W261-R280 HydrophobicContact CZ3-CG 3.72Å; W261-R280 WeakPolarHBondContact O-CD 3.25Å; W261-R280 PolarHBondContact O-NH1 3.42Å; W261-F287 HydrophobicContact CH2-CD1 4.32Å; W261-F287 AromaticContact CH2-CE1 3.72Å; W261-F287 HydrophobicContact CH2-CE1 3.72Å; W261-F287 AromaticContact CZ2-CE1 3.92Å; W261-F287 HydrophobicContact CZ2-CE1 3.92Å; W261-L288 HydrophobicContact CH2-CD2 3.61Å; W261-L288 HydrophobicContact CZ2-CD2 3.68Å
262	R	88.7	Confident	72.7	Confident	209 Å²	209	76.3 Å²	76.3	79%	0.789	40%	0.397	S	S	*	.			trans	-91.3	-33.6	-179.2	-65.6	-175.1	-179.5	-176.3	-0.8	114.2	R280	R262-R280 VanDerWaalsContact O-CB 3.32Å; R262-R280 WeakPolarHBondContact O-CB 3.48Å; R262-R280 PolarHBondContact O-N 3.2Å
263	N	91.8	Very high	75.8	Confident	50 Å²	50	69.1 Å²	69.1	27%	0.267	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.2	-179.5	-59.1	-56.5	0	0	0	110.4	P229 W261 F277 I278 P279	P229-N263 WeakPolarHBondContact CD-O 3.36Å; P229-N263 WeakPolarHBondContact CG-O 3.34Å; W261-N263 VanDerWaalsContact CZ3-C 3.48Å; N263-F277 HydrophobicContact CB-CB 3.98Å; N263-F277 HydrophobicContact CB-CD1 4.03Å; N263-F277 HydrophobicContact CB-CG 4.24Å; N263-I278 CarbonylContact C-O 3.49Å; N263-I278 WeakPolarHBondContact CA-O 3.48Å; N263-P279 WeakPolarHBondContact OD1-CA 3.32Å
264	A	94.5	Very high	78.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	165.3	161.9	0	0	0	0	0	109.3	L226 W261 F277 I278 F287	L226-A264 HydrophobicContact CD1-CB 3.63Å; L226-A264 HydrophobicContact CD2-CB 4.37Å; L226-A264 HydrophobicContact CG-CB 3.93Å; W261-A264 HydrophobicContact CH2-CB 4.01Å; W261-A264 HydrophobicContact CZ3-CB 3.72Å; A264-F277 WeakPolarHBondContact O-CA 3.5Å; A264-I278 PolarHBondContact N-O 2.81Å; A264-I278 PolarHBondContact O-N 3.42Å; A264-F287 HydrophobicContact CB-CE1 3.9Å; A264-F287 HydrophobicContact CB-CZ 4.2Å
265	V	94.5	Very high	81.6	Confident	15 Å²	15	61.4 Å²	61.4	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.5	176.3	-173	0	0	0	0	108.6	Q227 P229 I267 R275 V276 F277	Q227-V265 PolarHBondContact N-O 2.66Å; Q227-V265 PolarHBondContact O-N 3.08Å; P229-V265 HydrophobicContact CB-CG2 4.27Å; P229-V265 HydrophobicContact CG-CG2 3.89Å; V265-I267 HydrophobicContact CG1-CG1 4.09Å; V265-R275 HydrophobicContact CG1-CB 3.72Å; V265-R275 HydrophobicContact CG1-CG 4.21Å; V265-V276 WeakPolarHBondContact CA-O 3.47Å; V265-F277 HydrophobicContact CG2-CD1 4.08Å; V265-F277 HydrophobicContact CG2-CE1 3.95Å
266	L	95.9	Very high	83.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118.8	166.5	-175.3	65.8	0	0	0	108.4	F222 G224 L226 P268 V276 I278 F299 L317	F222-L266 HydrophobicContact CD2-CD2 4.5Å; F222-L266 HydrophobicContact CE2-CD2 3.51Å; F222-L266 HydrophobicContact CE2-CG 3.86Å; F222-L266 HydrophobicContact CZ-CD2 3.66Å; F222-L266 HydrophobicContact CZ-CG 4.33Å; G224-L266 VanDerWaalsContact C-CD1 3.5Å; L226-L266 HydrophobicContact CD1-CB 4.37Å; L266-P268 WeakPolarHBondContact O-CD 3.38Å; L266-V276 HydrophobicContact CB-CB 4.44Å; L266-V276 PolarHBondContact N-O 2.96Å; L266-V276 PolarHBondContact O-N 3.49Å; L266-I278 HydrophobicContact CB-CD1 4.21Å; L266-I278 HydrophobicContact CB-CG1 3.81Å; L266-I278 HydrophobicContact CD2-CD1 4.39Å; L266-F299 HydrophobicContact CD1-CB 4.23Å; L266-L317 HydrophobicContact CD1-CD2 4.08Å; L266-L317 HydrophobicContact CD2-CD2 4.1Å
267	I	94.4	Very high	86.3	Confident	45 Å²	45	56.2 Å²	56.2	23%	0.231	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	112.5	-179.5	-57.4	-176.4	0	0	0	108.4	G224 N225 Q227 V265	G224-I267 CarbonylContact C-O 3.32Å; G224-I267 WeakPolarHBondContact CA-O 3.39Å; N225-I267 PolarHBondContact N-O 3.42Å; N225-I267 PolarHBondContact O-N 3.35Å; Q227-I267 HydrophobicContact CB-CD1 4.33Å; Q227-I267 VanDerWaalsContact CD-CD1 3.41Å; Q227-I267 HydrophobicContact CG-CD1 4.06Å; V265-I267 HydrophobicContact CG1-CG1 4.09Å
268	P	93.6	Very high	88.6	Confident	16 Å²	16	53.6 Å²	53.6	10%	0.104	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	147.4	178.6	-18.5	28.3	0	0	0	112.5	F222 I223 L266 D270 L273 P274	F222-P268 HydrophobicContact CD2-CB 3.68Å; F222-P268 HydrophobicContact CD2-CG 3.75Å; F222-P268 HydrophobicContact CE2-CB 4.09Å; F222-P268 HydrophobicContact CE2-CG 3.66Å; F222-P268 HydrophobicContact CZ-CG 4.49Å; I223-P268 CarbonylContact O-C 3.49Å; I223-P268 WeakPolarHBondContact O-CA 3.38Å; L266-P268 WeakPolarHBondContact O-CD 3.38Å; P268-D270 VanDerWaalsContact C-N 3.32Å; P268-D270 WeakPolarHBondContact CB-O 3.47Å; P268-L273 HydrophobicContact CB-CB 3.85Å; P268-L273 HydrophobicContact CB-CD1 4.41Å; P268-L273 HydrophobicContact CG-CB 3.79Å; P268-P274 WeakPolarHBondContact CG-O 3.29Å
269	T	90	Very high	90.6	Very high	96 Å²	96	52.6 Å²	52.6	59%	0.589	26%	0.262	S	S	*	.	S	Bend	trans	-70.4	-33.5	169	-51.6	0	0	0	0	110.9	I223	I223-T269 PolarHBondContact O-N 2.86Å; I223-T269 PolarHBondContact O-OG1 2.99Å
270	D	89.9	Confident	92.1	Very high	44 Å²	44	52.3 Å²	52.3	24%	0.235	25%	0.251	C	S	.	.	S	Bend	trans	-83	112.4	173.2	-175.8	-10.7	0	0	0	110.8	P268 R272 L273	P268-D270 VanDerWaalsContact C-N 3.32Å; P268-D270 WeakPolarHBondContact CB-O 3.47Å; D270-R272 PolarHBondContact O-N 2.94Å; D270-R272 VanDerWaalsContact O-N 3.09Å; D270-R272 VanDerWaalsContact OD1-CB 3.27Å; D270-R272 WeakPolarHBondContact OD1-CB 3.45Å; D270-R272 WeakPolarHBondContact OD1-CG 3.38Å; D270-R272 IonicContact OD1-CZ 2.65Å; D270-R272 PolarHBondContact OD1-N 3.29Å; D270-R272 IonicContact OD1-NE 3.96Å; D270-R272 PolarHBondContact OD1-NE 3.32Å; D270-R272 IonicContact OD1-NH2 2.86Å; D270-R272 IonicContact OD2-CZ 2.94Å; D270-R272 VanDerWaalsContact OD2-CZ 3.24Å; D270-R272 IonicContact OD2-NE 3.29Å; D270-R272 PolarHBondContact OD2-NE 3.09Å; D270-R272 IonicContact OD2-NH2 3.3Å; D270-R272 PolarHBondContact OD2-NH2 2.86Å; D270-L273 HydrophobicContact CB-CD1 4.07Å; D270-L273 HydrophobicContact CB-CG 4.14Å; D270-L273 PolarHBondContact O-N 2.94Å; D270-L273 VanDerWaalsContact O-N 3.1Å
271	T	91.1	Very high	92.9	Very high	80 Å²	80	54.2 Å²	54.2	49%	0.491	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.4	-178.1	56.8	0	0	0	0	114.2	P78 F81 L273	P78-T271 PolarHBondContact O-OG1 3.31Å; F81-T271 VanDerWaalsContact CB-O 3.22Å; F81-T271 WeakPolarHBondContact CB-O 3.16Å; F81-T271 WeakPolarHBondContact CG-O 3.4Å; T271-L273 PolarHBondContact O-N 2.82Å
272	R	93.2	Very high	93.3	Very high	86 Å²	86	56.3 Å²	56.3	33%	0.325	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.6	177.6	-59.7	172.6	-69.6	-173.6	0.4	112.5	I76 P78 R103 P108 D270	I76-R272 HydrophobicContact CB-CB 4.33Å; I76-R272 HydrophobicContact CB-CG 4.35Å; I76-R272 HydrophobicContact CG2-CB 3.91Å; I76-R272 HydrophobicContact CG2-CG 3.94Å; I76-R272 WeakPolarHBondContact O-CD 3.43Å; P78-R272 HydrophobicContact CB-CG 4.05Å; R103-R272 PolarHBondContact NH1-O 3.38Å; R103-R272 PolarHBondContact NH2-O 3.29Å; P108-R272 HydrophobicContact CG-CB 3.87Å; D270-R272 PolarHBondContact O-N 2.94Å; D270-R272 VanDerWaalsContact O-N 3.09Å; D270-R272 VanDerWaalsContact OD1-CB 3.27Å; D270-R272 WeakPolarHBondContact OD1-CB 3.45Å; D270-R272 WeakPolarHBondContact OD1-CG 3.38Å; D270-R272 IonicContact OD1-CZ 2.65Å; D270-R272 PolarHBondContact OD1-N 3.29Å; D270-R272 IonicContact OD1-NE 3.96Å; D270-R272 PolarHBondContact OD1-NE 3.32Å; D270-R272 IonicContact OD1-NH2 2.86Å; D270-R272 IonicContact OD2-CZ 2.94Å; D270-R272 VanDerWaalsContact OD2-CZ 3.24Å; D270-R272 IonicContact OD2-NE 3.29Å; D270-R272 PolarHBondContact OD2-NE 3.09Å; D270-R272 IonicContact OD2-NH2 3.3Å; D270-R272 PolarHBondContact OD2-NH2 2.86Å
273	L	93.8	Very high	93.6	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.084	24%	0.24	C	C	.	.	S	Bend	trans	-94.1	147.5	-176.4	-58.2	-177.3	0	0	0	111.7	L107 P108 H218 F222 P268 D270 T271	L107-L273 HydrophobicContact CD2-CD2 4.04Å; P108-L273 HydrophobicContact CG-CD2 4.09Å; H218-L273 WeakPolarHBondContact NE2-CD2 3.37Å; F222-L273 HydrophobicContact CB-CD1 3.36Å; F222-L273 HydrophobicContact CD1-CD1 4.31Å; F222-L273 HydrophobicContact CD2-CD1 4.47Å; F222-L273 HydrophobicContact CG-CD1 3.79Å; P268-L273 HydrophobicContact CB-CB 3.85Å; P268-L273 HydrophobicContact CB-CD1 4.41Å; P268-L273 HydrophobicContact CG-CB 3.79Å; D270-L273 HydrophobicContact CB-CD1 4.07Å; D270-L273 HydrophobicContact CB-CG 4.14Å; D270-L273 PolarHBondContact O-N 2.94Å; D270-L273 VanDerWaalsContact O-N 3.1Å; T271-L273 PolarHBondContact O-N 2.82Å
274	P	93.3	Very high	93.7	Very high	24 Å²	24	46.3 Å²	46.3	16%	0.156	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-73.6	154.6	178.3	34.6	-39.1	0	0	0	111.2	L107 P268 V276 I303 W306 P313	L107-P274 HydrophobicContact CD2-CG 4.33Å; P268-P274 WeakPolarHBondContact CG-O 3.29Å; P274-V276 WeakPolarHBondContact O-CG2 3.26Å; P274-I303 HydrophobicContact CG-CD1 4.15Å; P274-W306 HydrophobicContact CB-CH2 3.96Å; P274-W306 HydrophobicContact CB-CZ2 4.26Å; P274-W306 HydrophobicContact CG-CH2 3.56Å; P274-W306 HydrophobicContact CG-CZ2 4.24Å; P274-W306 HydrophobicContact CG-CZ3 3.86Å; P274-P313 HydrophobicContact CB-CG 4.37Å; P274-P313 HydrophobicContact CG-CG 3.9Å
275	R	94.7	Very high	93.5	Very high	140 Å²	140	52.5 Å²	52.5	53%	0.528	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-63.3	143.5	162.9	-62.7	178.5	-175.1	179.9	-0.4	109.8	V265 F312 P313	V265-R275 HydrophobicContact CG1-CB 3.72Å; V265-R275 HydrophobicContact CG1-CG 4.21Å; R275-F312 HydrophobicContact CB-CD1 4.01Å; R275-F312 HydrophobicContact CB-CE1 4.12Å; R275-P313 WeakPolarHBondContact O-CD 3.34Å
276	V	96	Very high	93.3	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.3	-174.6	-175.5	0	0	0	0	110.2	F222 V265 L266 P274 I278 I303 P313	F222-V276 HydrophobicContact CE1-CG2 3.72Å; F222-V276 HydrophobicContact CE2-CG2 4.14Å; F222-V276 HydrophobicContact CZ-CB 3.89Å; F222-V276 HydrophobicContact CZ-CG2 3.2Å; V265-V276 WeakPolarHBondContact CA-O 3.47Å; L266-V276 HydrophobicContact CB-CB 4.44Å; L266-V276 PolarHBondContact N-O 2.96Å; L266-V276 PolarHBondContact O-N 3.49Å; P274-V276 WeakPolarHBondContact O-CG2 3.26Å; V276-I278 HydrophobicContact CG1-CD1 4.27Å; V276-I303 HydrophobicContact CG1-CG1 4.35Å; V276-I303 HydrophobicContact CG2-CD1 4.35Å; V276-I303 HydrophobicContact CG2-CG1 3.83Å; V276-P313 HydrophobicContact CB-CG 4.29Å; V276-P313 HydrophobicContact CG1-CG 4.23Å; V276-P313 HydrophobicContact CG2-CG 3.72Å
277	F	95.9	Very high	93	Very high	56 Å²	56	53.2 Å²	53.2	25%	0.246	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.7	174.1	-70.5	-49.6	0	0	0	110.6	N263 A264 V265 F312 P313 K314 G315	N263-F277 HydrophobicContact CB-CB 3.98Å; N263-F277 HydrophobicContact CB-CD1 4.03Å; N263-F277 HydrophobicContact CB-CG 4.24Å; A264-F277 WeakPolarHBondContact O-CA 3.5Å; V265-F277 HydrophobicContact CG2-CD1 4.08Å; V265-F277 HydrophobicContact CG2-CE1 3.95Å; F277-F312 HydrophobicContact CD2-CB 3.82Å; F277-F312 HydrophobicContact CE2-CB 3.53Å; F277-F312 AromaticContact CE2-CD2 3.91Å; F277-F312 HydrophobicContact CE2-CD2 3.91Å; F277-F312 HydrophobicContact CE2-CG 4.03Å; F277-F312 HydrophobicContact CZ-CB 4.16Å; F277-F312 AromaticContact CZ-CD2 3.92Å; F277-F312 HydrophobicContact CZ-CD2 3.92Å; F277-F312 HydrophobicContact CZ-CG 4.2Å; F277-P313 PolarHBondContact N-O 3.16Å; F277-K314 CarbonylContact O-C 3.6Å; F277-K314 WeakPolarHBondContact O-CA 3.48Å; F277-G315 PolarHBondContact O-N 3.24Å
278	I	96.3	Very high	92.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.9	173.3	-54.8	-56.5	0	0	0	107.7	L226 N263 A264 L266 V276 R280 A282 L317	L226-I278 HydrophobicContact CD1-CB 4.21Å; L226-I278 HydrophobicContact CD1-CG1 3.98Å; N263-I278 CarbonylContact C-O 3.49Å; N263-I278 WeakPolarHBondContact CA-O 3.48Å; A264-I278 PolarHBondContact N-O 2.81Å; A264-I278 PolarHBondContact O-N 3.42Å; L266-I278 HydrophobicContact CB-CD1 4.21Å; L266-I278 HydrophobicContact CB-CG1 3.81Å; L266-I278 HydrophobicContact CD2-CD1 4.39Å; V276-I278 HydrophobicContact CG1-CD1 4.27Å; I278-R280 PolarHBondContact O-N 3.11Å; I278-A282 HydrophobicContact CG2-CB 4.19Å; I278-L317 HydrophobicContact CD1-CD2 4.46Å; I278-L317 HydrophobicContact CD1-CG 4.38Å; I278-L317 HydrophobicContact CG1-CD2 4.31Å; I278-L317 HydrophobicContact CG1-CG 4.24Å; I278-L317 HydrophobicContact CG2-CD1 3.96Å; I278-L317 HydrophobicContact CG2-CG 3.87Å
279	P	94.9	Very high	92.5	Very high	40 Å²	40	59.9 Å²	59.9	26%	0.26	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	139.6	174.8	-25.8	34.9	0	0	0	111.7	N263 E281 A282 C283 G315	N263-P279 WeakPolarHBondContact OD1-CA 3.32Å; P279-E281 WeakPolarHBondContact CB-OE2 3.42Å; P279-E281 PolarHBondContact O-N 3.31Å; P279-A282 HydrophobicContact CB-CB 4.33Å; P279-A282 PolarHBondContact O-N 3.37Å; P279-C283 PolarHBondContact O-N 3.09Å; P279-C283 PolarHBondContact O-SG 3.22Å; P279-G315 WeakPolarHBondContact CD-O 3.46Å
280	R	92.7	Very high	92.5	Very high	58 Å²	58	59 Å²	59	22%	0.219	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-53.6	-38.7	179.9	179.4	-178.8	-174.7	110.9	5.2	111.8	S259 W261 R262 I278 A282 C283 L288	S259-R280 PolarHBondContact O-NH1 2.84Å; W261-R280 HydrophobicContact CE3-CB 4.06Å; W261-R280 HydrophobicContact CE3-CG 4.24Å; W261-R280 HydrophobicContact CH2-CB 4.02Å; W261-R280 HydrophobicContact CH2-CG 3.69Å; W261-R280 HydrophobicContact CZ2-CG 4.19Å; W261-R280 HydrophobicContact CZ3-CB 3.54Å; W261-R280 HydrophobicContact CZ3-CG 3.72Å; W261-R280 WeakPolarHBondContact O-CD 3.25Å; W261-R280 PolarHBondContact O-NH1 3.42Å; R262-R280 VanDerWaalsContact O-CB 3.32Å; R262-R280 WeakPolarHBondContact O-CB 3.48Å; R262-R280 PolarHBondContact O-N 3.2Å; I278-R280 PolarHBondContact O-N 3.11Å; R280-A282 PolarHBondContact O-N 2.82Å; R280-C283 WeakPolarHBondContact O-CB 3.42Å; R280-C283 PolarHBondContact O-N 3.4Å; R280-L288 HydrophobicContact CG-CD2 3.72Å
281	E	92	Very high	92.4	Very high	158 Å²	158	58.1 Å²	58.1	74%	0.738	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-68.7	-22.6	-178.3	-50.9	75.3	-160.9	0	0	112.5	P279	P279-E281 WeakPolarHBondContact CB-OE2 3.42Å; P279-E281 PolarHBondContact O-N 3.31Å
282	A	93.1	Very high	92.1	Very high	49 Å²	49	60.3 Å²	60.3	41%	0.405	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-91.3	-1.8	176.7	0	0	0	0	0	113.1	I278 P279 R280	I278-A282 HydrophobicContact CG2-CB 4.19Å; P279-A282 HydrophobicContact CB-CB 4.33Å; P279-A282 PolarHBondContact O-N 3.37Å; R280-A282 PolarHBondContact O-N 2.82Å
283	C	94.1	Very high	91.7	Very high	10 Å²	10	57.2 Å²	57.2	7%	0.068	29%	0.291	C	S	.	.	S	Bend	trans	-83.8	148.2	178.7	-61.7	0	0	0	0	111.2	L226 P279 R280 F287 L288	L226-C283 HydrophobicContact CD2-CB 4.22Å; P279-C283 PolarHBondContact O-N 3.09Å; P279-C283 PolarHBondContact O-SG 3.22Å; R280-C283 WeakPolarHBondContact O-CB 3.42Å; R280-C283 PolarHBondContact O-N 3.4Å; C283-F287 HydrophobicContact CB-CD1 3.86Å; C283-F287 HydrophobicContact CB-CE1 4.45Å; C283-L288 HydrophobicContact CB-CD2 3.99Å; C283-L288 HydrophobicContact CB-CG 4.43Å
284	P	92.9	Very high	91.5	Very high	38 Å²	38	57.2 Å²	57.2	25%	0.247	29%	0.29	C	S	.	.			trans	-57.6	141.3	176.1	-24.4	33.5	0	0	0	112.6	G286 F287 L288 Y294 F299	P284-G286 PolarHBondContact O-N 2.56Å; P284-F287 HydrophobicContact CB-CB 4.32Å; P284-F287 WeakPolarHBondContact O-CA 3.45Å; P284-F287 WeakPolarHBondContact O-CB 3.3Å; P284-F287 PolarHBondContact O-N 3.04Å; P284-L288 PolarHBondContact O-N 3.41Å; P284-L288 VanDerWaalsContact O-N 3.15Å; P284-Y294 HydrophobicContact CB-CE1 4.33Å; P284-Y294 HydrophobicContact CG-CE1 4.46Å; P284-F299 HydrophobicContact CG-CE1 3.91Å; P284-F299 HydrophobicContact CG-CZ 3.93Å
285	E	90.9	Very high	91	Very high	130 Å²	130	61.9 Å²	61.9	61%	0.607	31%	0.307	S	S	*	.	H	α-helix	trans	-58.1	-37.9	-179	-165.8	-169.8	163.3	0	0	112.2	F287 L288 K289	E285-F287 VanDerWaalsContact C-N 3.29Å; E285-F287 PolarHBondContact O-N 3.25Å; E285-L288 PolarHBondContact O-N 3.13Å; E285-K289 WeakPolarHBondContact O-CG 3.02Å; E285-K289 PolarHBondContact O-N 2.75Å; E285-K289 VanDerWaalsContact O-N 3.14Å; E285-K289 WeakPolarHBondContact OE1-CE 3.13Å; E285-K289 IonicContact OE1-NZ 2.77Å; E285-K289 PolarHBondContact OE1-NZ 2.91Å
286	G	89.9	Confident	90.3	Very high	30 Å²	30	58.1 Å²	58.1	31%	0.309	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-34.7	175.4	0	0	0	0	0	113.1	P284 K289 N290 Y294	P284-G286 PolarHBondContact O-N 2.56Å; G286-K289 PolarHBondContact O-N 2.86Å; G286-N290 PolarHBondContact O-N 2.61Å; G286-Y294 WeakPolarHBondContact CA-OH 3.33Å
287	F	91.1	Very high	90	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.7	-42.1	175.2	172.7	-99	0	0	0	111.1	L226 I228 W261 A264 C283 P284 E285 K289 N290 P291 Y294	L226-F287 HydrophobicContact CB-CD2 4.39Å; L226-F287 HydrophobicContact CB-CE2 4.05Å; L226-F287 HydrophobicContact CB-CZ 4.38Å; L226-F287 HydrophobicContact CD2-CB 4.39Å; L226-F287 HydrophobicContact CD2-CD1 3.57Å; L226-F287 HydrophobicContact CD2-CD2 3.83Å; L226-F287 HydrophobicContact CD2-CE1 3.64Å; L226-F287 HydrophobicContact CD2-CE2 3.9Å; L226-F287 HydrophobicContact CD2-CG 3.65Å; L226-F287 HydrophobicContact CD2-CZ 3.81Å; L226-F287 HydrophobicContact CG-CD1 4.38Å; L226-F287 HydrophobicContact CG-CD2 4.25Å; L226-F287 HydrophobicContact CG-CE1 3.98Å; L226-F287 HydrophobicContact CG-CE2 3.84Å; L226-F287 HydrophobicContact CG-CG 4.49Å; L226-F287 HydrophobicContact CG-CZ 3.69Å; I228-F287 HydrophobicContact CG1-CE1 4.37Å; I228-F287 HydrophobicContact CG1-CZ 3.94Å; W261-F287 HydrophobicContact CH2-CD1 4.32Å; W261-F287 AromaticContact CH2-CE1 3.72Å; W261-F287 HydrophobicContact CH2-CE1 3.72Å; W261-F287 AromaticContact CZ2-CE1 3.92Å; W261-F287 HydrophobicContact CZ2-CE1 3.92Å; A264-F287 HydrophobicContact CB-CE1 3.9Å; A264-F287 HydrophobicContact CB-CZ 4.2Å; C283-F287 HydrophobicContact CB-CD1 3.86Å; C283-F287 HydrophobicContact CB-CE1 4.45Å; P284-F287 HydrophobicContact CB-CB 4.32Å; P284-F287 WeakPolarHBondContact O-CA 3.45Å; P284-F287 WeakPolarHBondContact O-CB 3.3Å; P284-F287 PolarHBondContact O-N 3.04Å; E285-F287 VanDerWaalsContact C-N 3.29Å; E285-F287 PolarHBondContact O-N 3.25Å; F287-K289 PolarHBondContact O-N 3.24Å; F287-N290 CarbonylContact O-C 3.59Å; F287-N290 PolarHBondContact O-N 3.31Å; F287-P291 HydrophobicContact CD2-CB 4.09Å; F287-P291 HydrophobicContact CE2-CB 3.74Å; F287-P291 HydrophobicContact CZ-CB 4.14Å; F287-P291 WeakPolarHBondContact O-CA 3.36Å; F287-P291 WeakPolarHBondContact O-CD 3.46Å; F287-P291 VanDerWaalsContact O-CG 3.23Å; F287-P291 WeakPolarHBondContact O-CG 3.36Å; F287-P291 VanDerWaalsContact O-N 3.08Å; F287-Y294 VanDerWaalsContact CA-CE2 3.4Å; F287-Y294 HydrophobicContact CB-CD1 4.31Å; F287-Y294 HydrophobicContact CB-CD2 3.78Å; F287-Y294 HydrophobicContact CB-CE1 4.35Å; F287-Y294 HydrophobicContact CB-CE2 3.9Å; F287-Y294 HydrophobicContact CB-CG 4.02Å; F287-Y294 HydrophobicContact CD2-CD2 4.01Å; F287-Y294 AromaticContact CD2-CG 3.86Å; F287-Y294 HydrophobicContact CD2-CG 3.86Å; F287-Y294 HydrophobicContact CG-CD2 4.42Å; F287-Y294 HydrophobicContact CG-CG 4.45Å
288	L	89.7	Confident	89.7	Confident	59 Å²	59	56.7 Å²	56.7	31%	0.309	29%	0.291	S	S	.	.	H	α-helix	trans	-61	-34.7	177.7	-60.8	179.5	0	0	0	112.3	W261 R280 C283 P284 E285	W261-L288 HydrophobicContact CH2-CD2 3.61Å; W261-L288 HydrophobicContact CZ2-CD2 3.68Å; R280-L288 HydrophobicContact CG-CD2 3.72Å; C283-L288 HydrophobicContact CB-CD2 3.99Å; C283-L288 HydrophobicContact CB-CG 4.43Å; P284-L288 PolarHBondContact O-N 3.41Å; P284-L288 VanDerWaalsContact O-N 3.15Å; E285-L288 PolarHBondContact O-N 3.13Å
289	K	88.2	Confident	89.6	Confident	142 Å²	142	56.9 Å²	56.9	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-78.8	-44.5	178.3	-69.4	176.3	-176.1	170	0	112.7	E285 G286 F287	E285-K289 WeakPolarHBondContact O-CG 3.02Å; E285-K289 PolarHBondContact O-N 2.75Å; E285-K289 VanDerWaalsContact O-N 3.14Å; E285-K289 WeakPolarHBondContact OE1-CE 3.13Å; E285-K289 IonicContact OE1-NZ 2.77Å; E285-K289 PolarHBondContact OE1-NZ 2.91Å; G286-K289 PolarHBondContact O-N 2.86Å; F287-K289 PolarHBondContact O-N 3.24Å
290	N	88.5	Confident	89.5	Confident	78 Å²	78	55 Å²	55	42%	0.417	28%	0.279	S	S	.	.			trans	-144.7	81.8	-177.9	-167.3	-6.4	0	0	0	112.2	G286 F287 E292 T293	G286-N290 PolarHBondContact O-N 2.61Å; F287-N290 CarbonylContact O-C 3.59Å; F287-N290 PolarHBondContact O-N 3.31Å; N290-E292 VanDerWaalsContact C-N 3.26Å; N290-E292 PolarHBondContact O-N 3.29Å; N290-T293 HydrophobicContact CB-CG2 3.85Å; N290-T293 WeakPolarHBondContact ND2-CG2 3.18Å; N290-T293 PolarHBondContact O-N 3.31Å; N290-T293 PolarHBondContact O-OG1 3Å
291	P	87.6	Confident	89.6	Confident	25 Å²	25	52.2 Å²	52.2	16%	0.162	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-57.6	-33.7	-175.8	-22.8	29.4	0	0	0	114.3	I228 F287 T293 Y294	I228-P291 HydrophobicContact CD1-CB 3.83Å; I228-P291 HydrophobicContact CD1-CG 3.32Å; I228-P291 HydrophobicContact CG1-CB 4.05Å; I228-P291 HydrophobicContact CG1-CG 4.05Å; F287-P291 HydrophobicContact CD2-CB 4.09Å; F287-P291 HydrophobicContact CE2-CB 3.74Å; F287-P291 HydrophobicContact CZ-CB 4.14Å; F287-P291 WeakPolarHBondContact O-CA 3.36Å; F287-P291 WeakPolarHBondContact O-CD 3.46Å; F287-P291 VanDerWaalsContact O-CG 3.23Å; F287-P291 WeakPolarHBondContact O-CG 3.36Å; F287-P291 VanDerWaalsContact O-N 3.08Å; P291-T293 PolarHBondContact O-N 3.41Å; P291-Y294 PolarHBondContact O-N 3.43Å
292	E	86.4	Confident	89.8	Confident	127 Å²	127	49.1 Å²	49.1	59%	0.593	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-63.4	-27.8	-177.8	-66.6	-60.6	141.7	0	0	112.3	N290 Y294 K295	N290-E292 VanDerWaalsContact C-N 3.26Å; N290-E292 PolarHBondContact O-N 3.29Å; E292-Y294 PolarHBondContact O-N 2.96Å; E292-K295 WeakPolarHBondContact O-CB 3.44Å; E292-K295 PolarHBondContact O-N 2.75Å
293	T	84.8	Confident	90	Very high	21 Å²	21	47.7 Å²	47.7	13%	0.129	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-67.4	-16.3	176.6	68	0	0	0	0	113.4	N290 P291	N290-T293 HydrophobicContact CB-CG2 3.85Å; N290-T293 WeakPolarHBondContact ND2-CG2 3.18Å; N290-T293 PolarHBondContact O-N 3.31Å; N290-T293 PolarHBondContact O-OG1 3Å; P291-T293 PolarHBondContact O-N 3.41Å
294	Y	87.9	Confident	90.1	Very high	16 Å²	16	51 Å²	51	6%	0.063	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-101.3	2	-178.4	-72.5	-98.5	0	0	0	113.2	P284 G286 F287 P291 E292 N296 V297 F299 R978	P284-Y294 HydrophobicContact CB-CE1 4.33Å; P284-Y294 HydrophobicContact CG-CE1 4.46Å; G286-Y294 WeakPolarHBondContact CA-OH 3.33Å; F287-Y294 VanDerWaalsContact CA-CE2 3.4Å; F287-Y294 HydrophobicContact CB-CD1 4.31Å; F287-Y294 HydrophobicContact CB-CD2 3.78Å; F287-Y294 HydrophobicContact CB-CE1 4.35Å; F287-Y294 HydrophobicContact CB-CE2 3.9Å; F287-Y294 HydrophobicContact CB-CG 4.02Å; F287-Y294 HydrophobicContact CD2-CD2 4.01Å; F287-Y294 AromaticContact CD2-CG 3.86Å; F287-Y294 HydrophobicContact CD2-CG 3.86Å; F287-Y294 HydrophobicContact CG-CD2 4.42Å; F287-Y294 HydrophobicContact CG-CG 4.45Å; P291-Y294 PolarHBondContact O-N 3.43Å; E292-Y294 PolarHBondContact O-N 2.96Å; Y294-N296 PolarHBondContact O-N 3.38Å; Y294-N296 VanDerWaalsContact O-N 3.07Å; Y294-V297 HydrophobicContact CD1-CB 3.95Å; Y294-V297 HydrophobicContact CD1-CG1 4.03Å; Y294-V297 HydrophobicContact CD1-CG2 3.98Å; Y294-V297 HydrophobicContact CG-CG2 4.34Å; Y294-V297 PolarHBondContact O-N 2.92Å; Y294-F299 AromaticContact CD1-CE2 3.77Å; Y294-F299 HydrophobicContact CD1-CE2 3.77Å; Y294-F299 AromaticContact CD1-CZ 3.6Å; Y294-F299 HydrophobicContact CD1-CZ 3.6Å; Y294-F299 HydrophobicContact CE1-CE2 4.46Å; Y294-F299 AromaticContact CE1-CZ 3.83Å; Y294-F299 HydrophobicContact CE1-CZ 3.83Å; Y294-R978 PolarHBondContact OH-NH2 3.26Å
295	K	82.8	Confident	90.2	Very high	121 Å²	121	52.8 Å²	52.8	53%	0.526	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-36.1	-176.1	-175.8	178.6	178.1	-177.9	0	113.1	N225 E292	N225-K295 PolarHBondContact ND2-O 2.78Å; E292-K295 WeakPolarHBondContact O-CB 3.44Å; E292-K295 PolarHBondContact O-N 2.75Å
296	N	81.2	Confident	90.4	Very high	61 Å²	61	48.2 Å²	48.2	33%	0.326	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-1.9	179.5	-63.2	-21.2	0	0	0	112.9	Y294 R298 N980 T981	Y294-N296 PolarHBondContact O-N 3.38Å; Y294-N296 VanDerWaalsContact O-N 3.07Å; N296-R298 PolarHBondContact O-N 3.41Å; N296-N980 PolarHBondContact ND2-OD1 2.6Å; N296-T981 HydrophobicContact CB-CG2 4.37Å; N296-T981 WeakPolarHBondContact CB-OG1 3.43Å; N296-T981 WeakPolarHBondContact O-CB 3.44Å; N296-T981 PolarHBondContact O-OG1 3.29Å
297	V	88.6	Confident	90.5	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	24%	0.242	C	C	.	.			trans	-73.7	127.5	179.7	178.3	0	0	0	0	109.1	Y294 F299 E320 R978	Y294-V297 HydrophobicContact CD1-CB 3.95Å; Y294-V297 HydrophobicContact CD1-CG1 4.03Å; Y294-V297 HydrophobicContact CD1-CG2 3.98Å; Y294-V297 HydrophobicContact CG-CG2 4.34Å; Y294-V297 PolarHBondContact O-N 2.92Å; V297-F299 HydrophobicContact CB-CE2 4.02Å; V297-F299 HydrophobicContact CG1-CD2 4.15Å; V297-F299 HydrophobicContact CG1-CE1 4.46Å; V297-F299 HydrophobicContact CG1-CE2 3.52Å; V297-F299 HydrophobicContact CG1-CZ 3.69Å; V297-E320 HydrophobicContact CG1-CG 3.68Å; V297-E320 VanDerWaalsContact CG1-OE1 3.3Å; V297-E320 WeakPolarHBondContact CG1-OE1 3.27Å; V297-R978 VanDerWaalsContact CG2-NH1 3.26Å
298	R	90.3	Very high	90.5	Very high	24 Å²	24	52.6 Å²	52.6	9%	0.091	25%	0.254	C	S	.	.			trans	-92.2	124.5	-179.2	-66.5	-178.8	-73.6	168.4	-2.3	109.1	I223 N296 L321 E332 T981	I223-R298 HydrophobicContact CG2-CB 4.13Å; I223-R298 HydrophobicContact CG2-CG 4.48Å; N296-R298 PolarHBondContact O-N 3.41Å; R298-L321 HydrophobicContact CB-CB 4.23Å; R298-L321 HydrophobicContact CB-CD1 4.17Å; R298-L321 PolarHBondContact O-N 3.21Å; R298-E332 IonicContact CZ-OE1 3.36Å; R298-E332 IonicContact NH1-OE1 3.32Å; R298-E332 PolarHBondContact NH1-OE1 2.9Å; R298-E332 IonicContact NH1-OE2 2.79Å; R298-E332 IonicContact NH2-OE1 3.49Å; R298-E332 PolarHBondContact NH2-OE1 3.36Å; R298-T981 PolarHBondContact NE-O 3.44Å; R298-T981 PolarHBondContact NH2-O 3.29Å; R298-T981 VanDerWaalsContact NH2-O 3.14Å
299	F	93.4	Very high	90.4	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.8	172.2	-68.7	-85.4	0	0	0	110.3	I223 G224 L226 L266 P284 Y294 V297 L317 R319 E320	I223-F299 CarbonylContact C-O 3.47Å; I223-F299 VanDerWaalsContact CA-O 3.31Å; I223-F299 WeakPolarHBondContact CA-O 3.44Å; G224-F299 PolarHBondContact N-O 2.9Å; G224-F299 PolarHBondContact O-N 2.94Å; L226-F299 HydrophobicContact CB-CD2 4.24Å; L226-F299 HydrophobicContact CB-CE2 4.19Å; L266-F299 HydrophobicContact CD1-CB 4.23Å; P284-F299 HydrophobicContact CG-CE1 3.91Å; P284-F299 HydrophobicContact CG-CZ 3.93Å; Y294-F299 AromaticContact CD1-CE2 3.77Å; Y294-F299 HydrophobicContact CD1-CE2 3.77Å; Y294-F299 AromaticContact CD1-CZ 3.6Å; Y294-F299 HydrophobicContact CD1-CZ 3.6Å; Y294-F299 HydrophobicContact CE1-CE2 4.46Å; Y294-F299 AromaticContact CE1-CZ 3.83Å; Y294-F299 HydrophobicContact CE1-CZ 3.83Å; V297-F299 HydrophobicContact CB-CE2 4.02Å; V297-F299 HydrophobicContact CG1-CD2 4.15Å; V297-F299 HydrophobicContact CG1-CE1 4.46Å; V297-F299 HydrophobicContact CG1-CE2 3.52Å; V297-F299 HydrophobicContact CG1-CZ 3.69Å; F299-L317 HydrophobicContact CB-CD2 3.72Å; F299-L317 HydrophobicContact CD1-CD2 4.2Å; F299-L317 HydrophobicContact CG-CD2 3.94Å; F299-R319 WeakPolarHBondContact CA-O 3.39Å; F299-E320 HydrophobicContact CD1-CB 4.11Å; F299-E320 HydrophobicContact CE1-CB 3.86Å; F299-E320 HydrophobicContact CE1-CG 4.19Å
300	I	93.6	Very high	90.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	118.3	158.7	-64.3	159.5	0	0	0	106.6	F222 I223 L318 R319 L321 V338 I343	F222-I300 WeakPolarHBondContact O-CA 3.27Å; I223-I300 HydrophobicContact CG1-CG1 4.14Å; I300-L318 HydrophobicContact CG2-CB 4.3Å; I300-L318 HydrophobicContact CG2-CD1 4.08Å; I300-L318 WeakPolarHBondContact O-CB 3.37Å; I300-L318 PolarHBondContact O-N 2.77Å; I300-R319 HydrophobicContact CB-CG 4.26Å; I300-R319 HydrophobicContact CD1-CG 3.85Å; I300-R319 VanDerWaalsContact CD1-CZ 3.44Å; I300-R319 VanDerWaalsContact CD1-NE 3.27Å; I300-R319 PolarHBondContact N-O 3.21Å; I300-R319 PolarHBondContact O-N 3.48Å; I300-L321 HydrophobicContact CD1-CD1 4.47Å; I300-L321 HydrophobicContact CD1-CD2 3.69Å; I300-L321 HydrophobicContact CD1-CG 4.01Å; I300-L321 HydrophobicContact CG1-CD1 4.28Å; I300-L321 HydrophobicContact CG1-CD2 4.34Å; I300-L321 HydrophobicContact CG1-CG 4.12Å; I300-V338 HydrophobicContact CD1-CG2 3.6Å; I300-V338 HydrophobicContact CG1-CG2 4.04Å; I300-I343 HydrophobicContact CG2-CG2 3.81Å
301	G	95.3	Very high	90.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	163.9	171.5	0	0	0	0	0	111.5	A221 F222 E316	A221-G301 CarbonylContact C-O 3.59Å; A221-G301 WeakPolarHBondContact CA-O 3.21Å; F222-G301 PolarHBondContact N-O 3.49Å; F222-G301 PolarHBondContact O-N 3.37Å; G301-E316 CarbonylContact C-O 3.55Å; G301-E316 WeakPolarHBondContact CA-O 3.48Å
302	R	96	Very high	90.5	Very high	93 Å²	93	50 Å²	50	35%	0.351	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.5	179.8	177	170.8	68.9	176.2	1.5	111.1	R220 A221 T304 G315 E316 L318	R220-R302 WeakPolarHBondContact O-CA 3.29Å; A221-R302 HydrophobicContact CB-CB 4.29Å; R302-T304 PolarHBondContact O-N 2.74Å; R302-G315 CarbonylContact O-C 3.49Å; R302-G315 WeakPolarHBondContact O-CA 3.47Å; R302-E316 HydrophobicContact CB-CG 4.38Å; R302-E316 IonicContact CZ-OE1 3.38Å; R302-E316 PolarHBondContact N-O 2.83Å; R302-E316 IonicContact NE-OE1 3.88Å; R302-E316 PolarHBondContact NE-OE1 2.95Å; R302-E316 IonicContact NH2-OE1 3.35Å; R302-E316 PolarHBondContact NH2-OE1 3.36Å; R302-E316 PolarHBondContact O-N 3.32Å; R302-L318 HydrophobicContact CB-CD1 3.75Å; R302-L318 HydrophobicContact CB-CD2 4.41Å; R302-L318 HydrophobicContact CB-CG 4.09Å
303	I	96.6	Very high	90.9	Very high	19 Å²	19	43.9 Å²	43.9	10%	0.097	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	121.7	167.9	-66.4	162.2	0	0	0	108.1	L107 R220 F222 P274 V276 W306 P313	L107-I303 HydrophobicContact CD1-CD1 3.92Å; R220-I303 HydrophobicContact CB-CB 4.25Å; R220-I303 PolarHBondContact O-N 3.25Å; F222-I303 HydrophobicContact CE1-CD1 4.39Å; F222-I303 HydrophobicContact CE1-CG1 4.02Å; P274-I303 HydrophobicContact CG-CD1 4.15Å; V276-I303 HydrophobicContact CG1-CG1 4.35Å; V276-I303 HydrophobicContact CG2-CD1 4.35Å; V276-I303 HydrophobicContact CG2-CG1 3.83Å; I303-W306 HydrophobicContact CD1-CE3 4.4Å; I303-W306 HydrophobicContact CD1-CZ3 4.43Å; I303-W306 HydrophobicContact CG2-CB 4.42Å; I303-P313 HydrophobicContact CB-CB 4.39Å; I303-P313 HydrophobicContact CD1-CB 4.31Å; I303-P313 HydrophobicContact CD1-CG 3.95Å; I303-P313 HydrophobicContact CG1-CB 3.95Å; I303-P313 HydrophobicContact CG1-CG 3.84Å; I303-P313 HydrophobicContact CG2-CB 3.65Å; I303-P313 HydrophobicContact CG2-CG 4.44Å
304	T	96.1	Very high	91.5	Very high	79 Å²	79	47.2 Å²	47.2	49%	0.485	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-35.4	179.4	52.8	0	0	0	0	111.6	R302 K314 G315 E316	R302-T304 PolarHBondContact O-N 2.74Å; T304-K314 PolarHBondContact N-O 3.35Å; T304-K314 PolarHBondContact OG1-O 2.79Å; T304-G315 WeakPolarHBondContact OG1-CA 3.36Å; T304-E316 HydrophobicContact CG2-CB 4.12Å; T304-E316 HydrophobicContact CG2-CG 3.81Å; T304-E316 WeakPolarHBondContact CG2-OE1 3.47Å
305	E	95.1	Very high	91.9	Very high	77 Å²	77	46.6 Å²	46.6	36%	0.36	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	133.2	-179	-179.5	-174.6	-136	0	0	110	L307 P313 K314	E305-L307 HydrophobicContact CG-CD2 4.11Å; E305-L307 HydrophobicContact CG-CG 4.02Å; E305-L307 WeakPolarHBondContact OE1-CD2 3.34Å; E305-P313 WeakPolarHBondContact O-CA 3.22Å; E305-K314 HydrophobicContact CB-CB 4.47Å; E305-K314 PolarHBondContact N-O 2.83Å; E305-K314 PolarHBondContact O-N 3.43Å; E305-K314 IonicContact OE2-NZ 2.99Å; E305-K314 PolarHBondContact OE2-NZ 3.34Å
306	W	94.7	Very high	92.6	Very high	33 Å²	33	43.8 Å²	43.8	13%	0.125	22%	0.221	C	C	.	.			trans	-133.1	87.8	170.8	-158.8	-14.4	0	0	0	110.8	Y51 R105 L107 P274 I303 S310 P313	Y51-W306 HydrophobicContact CE2-CZ2 4.15Å; Y51-W306 AromaticContact CE2-NE1 3.51Å; R105-W306 HydrophobicContact CB-CD2 3.74Å; R105-W306 HydrophobicContact CB-CE3 3.76Å; R105-W306 HydrophobicContact CB-CG 4.2Å; R105-W306 HydrophobicContact CB-CH2 4.34Å; R105-W306 HydrophobicContact CB-CZ2 4.36Å; R105-W306 HydrophobicContact CB-CZ3 4.05Å; R105-W306 VanDerWaalsContact CD-O 3.31Å; R105-W306 WeakPolarHBondContact CD-O 3.3Å; R105-W306 HydrophobicContact CG-CD2 3.65Å; R105-W306 HydrophobicContact CG-CE3 4.21Å; R105-W306 HydrophobicContact CG-CG 3.82Å; R105-W306 HydrophobicContact CG-CZ2 4.13Å; R105-W306 PolarHBondContact NH1-O 2.86Å; R105-W306 WeakPolarHBondContact O-CZ3 3.32Å; L107-W306 HydrophobicContact CD2-CH2 4.42Å; L107-W306 HydrophobicContact CD2-CZ3 3.94Å; L107-W306 HydrophobicContact CG-CZ3 4.38Å; P274-W306 HydrophobicContact CB-CH2 3.96Å; P274-W306 HydrophobicContact CB-CZ2 4.26Å; P274-W306 HydrophobicContact CG-CH2 3.56Å; P274-W306 HydrophobicContact CG-CZ2 4.24Å; P274-W306 HydrophobicContact CG-CZ3 3.86Å; I303-W306 HydrophobicContact CD1-CE3 4.4Å; I303-W306 HydrophobicContact CD1-CZ3 4.43Å; I303-W306 HydrophobicContact CG2-CB 4.42Å; W306-S310 PolarHBondContact NE1-O 2.96Å; W306-S310 VanDerWaalsContact NE1-O 3.15Å; W306-P313 HydrophobicContact CB-CB 3.94Å; W306-P313 HydrophobicContact CD2-CB 3.7Å; W306-P313 HydrophobicContact CD2-CG 4.1Å; W306-P313 HydrophobicContact CE3-CB 4.08Å; W306-P313 HydrophobicContact CE3-CG 4.26Å; W306-P313 HydrophobicContact CG-CB 3.66Å
307	L	93.1	Very high	93.3	Very high	74 Å²	74	42.4 Å²	42.4	39%	0.387	21%	0.214	S	C	.	.			trans	-62.2	138.5	175.7	-62.2	177.2	0	0	0	110.4	E305 S309 S310	E305-L307 HydrophobicContact CG-CD2 4.11Å; E305-L307 HydrophobicContact CG-CG 4.02Å; E305-L307 WeakPolarHBondContact OE1-CD2 3.34Å; L307-S309 PolarHBondContact O-N 3.46Å; L307-S310 PolarHBondContact O-N 3.37Å
308	N	90.1	Very high	93.5	Very high	49 Å²	49	43.7 Å²	43.7	26%	0.262	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.3	175.5	67.1	-37.8	0	0	0	112.1	A50 Y51 P53 S310	A50-N308 CarbonylContact C-O 3.52Å; A50-N308 WeakPolarHBondContact CA-O 3.35Å; Y51-N308 PolarHBondContact N-O 3.26Å; P53-N308 WeakPolarHBondContact CG-ND2 3.39Å; N308-S310 PolarHBondContact O-N 3.01Å
309	S	88	Confident	93.5	Very high	79 Å²	79	45.3 Å²	45.3	55%	0.552	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-6.6	173.8	57.8	0	0	0	0	114.8	L307	L307-S309 PolarHBondContact O-N 3.46Å
310	S	89.6	Confident	93.3	Very high	37 Å²	37	48.6 Å²	48.6	26%	0.259	24%	0.242	S	C	.	.			trans	-122.5	128	-175.3	-177	0	0	0	0	112.2	Y51 W306 L307 N308 F312	Y51-S310 WeakPolarHBondContact CE2-O 3.06Å; W306-S310 PolarHBondContact NE1-O 2.96Å; W306-S310 VanDerWaalsContact NE1-O 3.15Å; L307-S310 PolarHBondContact O-N 3.37Å; N308-S310 PolarHBondContact O-N 3.01Å; S310-F312 PolarHBondContact O-N 2.89Å; S310-F312 PolarHBondContact OG-N 2.64Å; S310-F312 PolarHBondContact OG-O 2.96Å
311	M	86.7	Confident	92.9	Very high	43 Å²	43	48.7 Å²	48.7	21%	0.212	24%	0.242	C	C	.	.	S	Bend	trans	-63	-30.1	172.4	-75.5	-59.4	-62.4	0	0	113.4	N49 Y51 L100	N49-M311 HydrophobicContact CB-CG 4.14Å; Y51-M311 HydrophobicContact CE1-SD 4.35Å; Y51-M311 HydrophobicContact CE2-SD 4.15Å; Y51-M311 PolarHBondContact OH-O 3.15Å; L100-M311 HydrophobicContact CB-CE 3.94Å; L100-M311 HydrophobicContact CD1-CE 3.88Å
312	F	90.8	Very high	91.9	Very high	89 Å²	89	51 Å²	51	39%	0.39	26%	0.258	S	S	.	.	S	Bend	trans	-111.2	135	-179.1	-59.1	-75.7	0	0	0	110.8	R275 F277 S310	R275-F312 HydrophobicContact CB-CD1 4.01Å; R275-F312 HydrophobicContact CB-CE1 4.12Å; F277-F312 HydrophobicContact CD2-CB 3.82Å; F277-F312 HydrophobicContact CE2-CB 3.53Å; F277-F312 AromaticContact CE2-CD2 3.91Å; F277-F312 HydrophobicContact CE2-CD2 3.91Å; F277-F312 HydrophobicContact CE2-CG 4.03Å; F277-F312 HydrophobicContact CZ-CB 4.16Å; F277-F312 AromaticContact CZ-CD2 3.92Å; F277-F312 HydrophobicContact CZ-CD2 3.92Å; F277-F312 HydrophobicContact CZ-CG 4.2Å; S310-F312 PolarHBondContact O-N 2.89Å; S310-F312 PolarHBondContact OG-N 2.64Å; S310-F312 PolarHBondContact OG-O 2.96Å
313	P	95.2	Very high	90.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.			trans	-70.3	159.6	171.9	29.8	-36	0	0	0	111.9	P274 R275 V276 F277 I303 E305 W306	P274-P313 HydrophobicContact CB-CG 4.37Å; P274-P313 HydrophobicContact CG-CG 3.9Å; R275-P313 WeakPolarHBondContact O-CD 3.34Å; V276-P313 HydrophobicContact CB-CG 4.29Å; V276-P313 HydrophobicContact CG1-CG 4.23Å; V276-P313 HydrophobicContact CG2-CG 3.72Å; F277-P313 PolarHBondContact N-O 3.16Å; I303-P313 HydrophobicContact CB-CB 4.39Å; I303-P313 HydrophobicContact CD1-CB 4.31Å; I303-P313 HydrophobicContact CD1-CG 3.95Å; I303-P313 HydrophobicContact CG1-CB 3.95Å; I303-P313 HydrophobicContact CG1-CG 3.84Å; I303-P313 HydrophobicContact CG2-CB 3.65Å; I303-P313 HydrophobicContact CG2-CG 4.44Å; E305-P313 WeakPolarHBondContact O-CA 3.22Å; W306-P313 HydrophobicContact CB-CB 3.94Å; W306-P313 HydrophobicContact CD2-CB 3.7Å; W306-P313 HydrophobicContact CD2-CG 4.1Å; W306-P313 HydrophobicContact CE3-CB 4.08Å; W306-P313 HydrophobicContact CE3-CG 4.26Å; W306-P313 HydrophobicContact CG-CB 3.66Å
314	K	96.4	Very high	89.2	Confident	90 Å²	90	51.6 Å²	51.6	39%	0.391	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	152.9	158.9	-62.2	-176.1	-160.4	144.3	0	109.7	F277 T304 E305	F277-K314 CarbonylContact O-C 3.6Å; F277-K314 WeakPolarHBondContact O-CA 3.48Å; T304-K314 PolarHBondContact N-O 3.35Å; T304-K314 PolarHBondContact OG1-O 2.79Å; E305-K314 HydrophobicContact CB-CB 4.47Å; E305-K314 PolarHBondContact N-O 2.83Å; E305-K314 PolarHBondContact O-N 3.43Å; E305-K314 IonicContact OE2-NZ 2.99Å; E305-K314 PolarHBondContact OE2-NZ 3.34Å
315	G	96.7	Very high	87.8	Confident	3 Å²	3	52.4 Å²	52.4	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	-175.6	177.5	0	0	0	0	0	112.3	F277 P279 R302 T304	F277-G315 PolarHBondContact O-N 3.24Å; P279-G315 WeakPolarHBondContact CD-O 3.46Å; R302-G315 CarbonylContact O-C 3.49Å; R302-G315 WeakPolarHBondContact O-CA 3.47Å; T304-G315 WeakPolarHBondContact OG1-CA 3.36Å
316	E	96.6	Very high	86.7	Confident	62 Å²	62	53.2 Å²	53.2	29%	0.29	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.7	174.7	71.9	-163.3	149.3	0	0	110	G301 R302 T304 L318	G301-E316 CarbonylContact C-O 3.55Å; G301-E316 WeakPolarHBondContact CA-O 3.48Å; R302-E316 HydrophobicContact CB-CG 4.38Å; R302-E316 IonicContact CZ-OE1 3.38Å; R302-E316 PolarHBondContact N-O 2.83Å; R302-E316 IonicContact NE-OE1 3.88Å; R302-E316 PolarHBondContact NE-OE1 2.95Å; R302-E316 IonicContact NH2-OE1 3.35Å; R302-E316 PolarHBondContact NH2-OE1 3.36Å; R302-E316 PolarHBondContact O-N 3.32Å; T304-E316 HydrophobicContact CG2-CB 4.12Å; T304-E316 HydrophobicContact CG2-CG 3.81Å; T304-E316 WeakPolarHBondContact CG2-OE1 3.47Å; E316-L318 HydrophobicContact CG-CD2 3.84Å; E316-L318 HydrophobicContact CG-CG 4.41Å
317	L	95.7	Very high	86	Confident	32 Å²	32	54 Å²	54	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.9	167.1	-66.5	170.7	0	0	0	107.9	L226 L266 I278 F299	L226-L317 HydrophobicContact CD1-CD1 4.34Å; L226-L317 HydrophobicContact CD2-CD1 3.94Å; L266-L317 HydrophobicContact CD1-CD2 4.08Å; L266-L317 HydrophobicContact CD2-CD2 4.1Å; I278-L317 HydrophobicContact CD1-CD2 4.46Å; I278-L317 HydrophobicContact CD1-CG 4.38Å; I278-L317 HydrophobicContact CG1-CD2 4.31Å; I278-L317 HydrophobicContact CG1-CG 4.24Å; I278-L317 HydrophobicContact CG2-CD1 3.96Å; I278-L317 HydrophobicContact CG2-CG 3.87Å; F299-L317 HydrophobicContact CB-CD2 3.72Å; F299-L317 HydrophobicContact CD1-CD2 4.2Å; F299-L317 HydrophobicContact CG-CD2 3.94Å
318	L	93.1	Very high	85.7	Confident	31 Å²	31	52.1 Å²	52.1	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-52	-179.8	-64.8	178.7	0	0	0	110.9	A221 I300 R302 E316 I343 W344	A221-L318 HydrophobicContact CB-CD1 4.45Å; I300-L318 HydrophobicContact CG2-CB 4.3Å; I300-L318 HydrophobicContact CG2-CD1 4.08Å; I300-L318 WeakPolarHBondContact O-CB 3.37Å; I300-L318 PolarHBondContact O-N 2.77Å; R302-L318 HydrophobicContact CB-CD1 3.75Å; R302-L318 HydrophobicContact CB-CD2 4.41Å; R302-L318 HydrophobicContact CB-CG 4.09Å; E316-L318 HydrophobicContact CG-CD2 3.84Å; E316-L318 HydrophobicContact CG-CG 4.41Å; L318-I343 HydrophobicContact CD1-CG2 3.41Å; L318-I343 VanDerWaalsContact CD1-CG2 3.41Å; L318-W344 HydrophobicContact CB-CH2 3.94Å; L318-W344 HydrophobicContact CB-CZ3 4.3Å; L318-W344 HydrophobicContact CD2-CH2 4.16Å; L318-W344 HydrophobicContact CD2-CZ2 4.21Å
319	R	90.3	Very high	85.7	Confident	57 Å²	57	51.2 Å²	51.2	22%	0.215	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	157.2	176.5	63.2	-179.1	-178.8	115.1	-3.5	112.3	F299 I300 D334 W344	F299-R319 WeakPolarHBondContact CA-O 3.39Å; I300-R319 HydrophobicContact CB-CG 4.26Å; I300-R319 HydrophobicContact CD1-CG 3.85Å; I300-R319 VanDerWaalsContact CD1-CZ 3.44Å; I300-R319 VanDerWaalsContact CD1-NE 3.27Å; I300-R319 PolarHBondContact N-O 3.21Å; I300-R319 PolarHBondContact O-N 3.48Å; R319-D334 IonicContact CZ-OD2 2.78Å; R319-D334 IonicContact NH1-OD2 3.52Å; R319-D334 PolarHBondContact NH1-OD2 2.89Å; R319-D334 IonicContact NH2-OD2 3.77Å; R319-D334 PolarHBondContact NH2-OD2 3.2Å; R319-W344 HydrophobicContact CG-CZ3 4.45Å
320	E	90.1	Very high	85.7	Confident	74 Å²	74	50.7 Å²	50.7	35%	0.346	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	140.2	164.6	-173.5	167.7	165.3	0	0	108.8	V297 F299 R978	V297-E320 HydrophobicContact CG1-CG 3.68Å; V297-E320 VanDerWaalsContact CG1-OE1 3.3Å; V297-E320 WeakPolarHBondContact CG1-OE1 3.27Å; F299-E320 HydrophobicContact CD1-CB 4.11Å; F299-E320 HydrophobicContact CE1-CB 3.86Å; F299-E320 HydrophobicContact CE1-CG 4.19Å; E320-R978 IonicContact OE1-CZ 3.6Å; E320-R978 IonicContact OE1-NH1 3.51Å; E320-R978 PolarHBondContact OE1-NH1 3.45Å; E320-R978 IonicContact OE1-NH2 3.86Å; E320-R978 IonicContact OE2-NH1 3.08Å
321	L	84.6	Confident	85.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-83.2	128.3	165.9	-75.5	172.4	0	0	0	108.1	I223 R298 I300 D334	I223-L321 HydrophobicContact CD1-CD1 3.95Å; I223-L321 HydrophobicContact CG1-CD1 4.31Å; I223-L321 HydrophobicContact CG2-CD1 4.05Å; R298-L321 HydrophobicContact CB-CB 4.23Å; R298-L321 HydrophobicContact CB-CD1 4.17Å; R298-L321 PolarHBondContact O-N 3.21Å; I300-L321 HydrophobicContact CD1-CD1 4.47Å; I300-L321 HydrophobicContact CD1-CD2 3.69Å; I300-L321 HydrophobicContact CD1-CG 4.01Å; I300-L321 HydrophobicContact CG1-CD1 4.28Å; I300-L321 HydrophobicContact CG1-CD2 4.34Å; I300-L321 HydrophobicContact CG1-CG 4.12Å; L321-D334 HydrophobicContact CD2-CB 4.26Å
322	S	74.7	Confident	85.8	Confident	48 Å²	48	47.8 Å²	47.8	34%	0.336	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-60.9	150.8	178.3	173.7	0	0	0	0	110.4	D324 D331	S322-D324 WeakPolarHBondContact OG-CB 3.31Å; S322-D324 PolarHBondContact OG-N 3.04Å; S322-D324 VanDerWaalsContact OG-N 3.1Å; S322-D331 WeakPolarHBondContact CB-OD1 3.49Å; S322-D331 VanDerWaalsContact CB-OD2 3.27Å; S322-D331 WeakPolarHBondContact CB-OD2 3.38Å; S322-D331 PolarHBondContact OG-OD2 3.45Å
323	C	65.6	Low	85.9	Confident	48 Å²	48	43.5 Å²	43.5	32%	0.324	24%	0.241	S	C	.	.			trans	-116.5	13.9	175.3	-59.8	0	0	0	0	110.6	S325 T981	C323-S325 PolarHBondContact O-N 2.83Å; C323-T981 HydrophobicContact CB-CG2 4.16Å; C323-T981 WeakPolarHBondContact SG-CG2 3.47Å
324	D	70.3	Confident	85.7	Confident	77 Å²	77	44 Å²	44	41%	0.412	24%	0.244	S	C	.	.			trans	-70.8	123.4	177.8	-173.7	-4.1	0	0	0	109.5	S322 S326 T327 L328	S322-D324 WeakPolarHBondContact OG-CB 3.31Å; S322-D324 PolarHBondContact OG-N 3.04Å; S322-D324 VanDerWaalsContact OG-N 3.1Å; D324-S326 PolarHBondContact O-N 3.12Å; D324-S326 WeakPolarHBondContact OD1-CB 3.31Å; D324-S326 PolarHBondContact OD1-N 2.86Å; D324-S326 PolarHBondContact OD1-OG 2.85Å; D324-S326 PolarHBondContact OD2-OG 2.87Å; D324-T327 PolarHBondContact O-N 3Å; D324-T327 VanDerWaalsContact O-N 3.14Å; D324-T327 PolarHBondContact O-OG1 3.28Å; D324-L328 PolarHBondContact O-N 3.19Å
325	S	67.5	Low	85.4	Confident	97 Å²	97	42.7 Å²	42.7	68%	0.678	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-58.8	-27.7	174.3	49.2	0	0	0	0	112.7	C323 T327 L328	C323-S325 PolarHBondContact O-N 2.83Å; S325-T327 PolarHBondContact O-N 3.23Å; S325-L328 WeakPolarHBondContact O-CB 3.41Å; S325-L328 PolarHBondContact O-N 2.93Å
326	S	72.1	Confident	85.3	Confident	94 Å²	94	42.6 Å²	42.6	66%	0.657	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-67.8	-24.3	179.2	83.1	0	0	0	0	112.8	D324	D324-S326 PolarHBondContact O-N 3.12Å; D324-S326 WeakPolarHBondContact OD1-CB 3.31Å; D324-S326 PolarHBondContact OD1-N 2.86Å; D324-S326 PolarHBondContact OD1-OG 2.85Å; D324-S326 PolarHBondContact OD2-OG 2.87Å
327	T	80	Confident	85.2	Confident	50 Å²	50	39.7 Å²	39.7	31%	0.307	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-112.3	14.5	-180	56.7	0	0	0	0	113.3	D324 S325 I329 Q330 D331	D324-T327 PolarHBondContact O-N 3Å; D324-T327 VanDerWaalsContact O-N 3.14Å; D324-T327 PolarHBondContact O-OG1 3.28Å; S325-T327 PolarHBondContact O-N 3.23Å; T327-I329 VanDerWaalsContact C-N 3.35Å; T327-I329 PolarHBondContact O-N 3.15Å; T327-Q330 WeakPolarHBondContact O-CA 3.26Å; T327-Q330 WeakPolarHBondContact O-CB 3.4Å; T327-Q330 PolarHBondContact O-N 2.99Å; T327-D331 WeakPolarHBondContact CB-OD2 3.42Å; T327-D331 PolarHBondContact O-N 3.43Å; T327-D331 PolarHBondContact OG1-OD2 3.15Å
328	L	85.1	Confident	85	Confident	34 Å²	34	38.3 Å²	38.3	18%	0.178	22%	0.215	C	C	.	.	H	α-helix	trans	-52.1	-45.5	-171	179.8	62.8	0	0	0	114	D324 S325 Q330 E332 L845 L983	D324-L328 PolarHBondContact O-N 3.19Å; S325-L328 WeakPolarHBondContact O-CB 3.41Å; S325-L328 PolarHBondContact O-N 2.93Å; L328-Q330 VanDerWaalsContact C-N 3.34Å; L328-Q330 PolarHBondContact O-N 3.13Å; L328-E332 HydrophobicContact CD1-CG 3.98Å; L328-E332 WeakPolarHBondContact O-CB 3.44Å; L328-E332 WeakPolarHBondContact O-CG 3.23Å; L328-E332 PolarHBondContact O-N 2.99Å; L328-L845 HydrophobicContact CD2-CD2 3.61Å; L328-L845 HydrophobicContact CG-CD2 4.34Å; L328-L983 HydrophobicContact CD1-CD1 4.32Å
329	I	89.9	Confident	84.8	Confident	30 Å²	30	40 Å²	40	15%	0.154	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-45.2	178.6	-67.8	170.2	0	0	0	110.4	T327 T333 G585 L586 F842 L845	T327-I329 VanDerWaalsContact C-N 3.35Å; T327-I329 PolarHBondContact O-N 3.15Å; I329-T333 VanDerWaalsContact O-CB 3.22Å; I329-T333 WeakPolarHBondContact O-CB 3.47Å; I329-T333 PolarHBondContact O-N 3.33Å; I329-T333 PolarHBondContact O-OG1 3.24Å; I329-G585 WeakPolarHBondContact CD1-O 2.88Å; I329-L586 HydrophobicContact CD1-CD2 4.15Å; I329-F842 HydrophobicContact CG2-CE2 4.44Å; I329-F842 HydrophobicContact CG2-CZ 3.96Å; I329-L845 HydrophobicContact CD1-CD1 4.21Å; I329-L845 HydrophobicContact CG1-CD1 3.56Å
330	Q	89.3	Confident	84.8	Confident	68 Å²	68	37.6 Å²	37.6	32%	0.318	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-48.7	-179.2	-175.7	73.2	-2.7	0	0	110.7	T327 L328 E332 T333 D334	T327-Q330 WeakPolarHBondContact O-CA 3.26Å; T327-Q330 WeakPolarHBondContact O-CB 3.4Å; T327-Q330 PolarHBondContact O-N 2.99Å; L328-Q330 VanDerWaalsContact C-N 3.34Å; L328-Q330 PolarHBondContact O-N 3.13Å; Q330-E332 VanDerWaalsContact C-N 3.32Å; Q330-E332 PolarHBondContact O-N 3.13Å; Q330-T333 WeakPolarHBondContact O-CB 3.31Å; Q330-T333 PolarHBondContact O-N 3.17Å; Q330-D334 WeakPolarHBondContact O-CB 3.16Å; Q330-D334 PolarHBondContact O-N 3.08Å
331	D	87.4	Confident	84.8	Confident	16 Å²	16	35.4 Å²	35.4	9%	0.086	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-36.7	-177.8	-69.7	-39.7	0	0	0	112.8	S322 T327 D334 R335	S322-D331 WeakPolarHBondContact CB-OD1 3.49Å; S322-D331 VanDerWaalsContact CB-OD2 3.27Å; S322-D331 WeakPolarHBondContact CB-OD2 3.38Å; S322-D331 PolarHBondContact OG-OD2 3.45Å; T327-D331 WeakPolarHBondContact CB-OD2 3.42Å; T327-D331 PolarHBondContact O-N 3.43Å; T327-D331 PolarHBondContact OG1-OD2 3.15Å; D331-D334 WeakPolarHBondContact O-CB 3.49Å; D331-D334 PolarHBondContact O-N 2.72Å; D331-R335 PolarHBondContact O-N 3.22Å
332	E	90.5	Very high	85.2	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-80.6	-28.9	177.7	-68.4	-69.3	152.5	0	0	112.3	R298 L328 Q330 D334 R335 I336 L841 L983	R298-E332 IonicContact CZ-OE1 3.36Å; R298-E332 IonicContact NH1-OE1 3.32Å; R298-E332 PolarHBondContact NH1-OE1 2.9Å; R298-E332 IonicContact NH1-OE2 2.79Å; R298-E332 IonicContact NH2-OE1 3.49Å; R298-E332 PolarHBondContact NH2-OE1 3.36Å; L328-E332 HydrophobicContact CD1-CG 3.98Å; L328-E332 WeakPolarHBondContact O-CB 3.44Å; L328-E332 WeakPolarHBondContact O-CG 3.23Å; L328-E332 PolarHBondContact O-N 2.99Å; Q330-E332 VanDerWaalsContact C-N 3.32Å; Q330-E332 PolarHBondContact O-N 3.13Å; E332-D334 VanDerWaalsContact C-N 3.35Å; E332-R335 WeakPolarHBondContact O-CB 3.29Å; E332-R335 PolarHBondContact O-N 3.33Å; E332-R335 VanDerWaalsContact OE2-CD 3.27Å; E332-R335 WeakPolarHBondContact OE2-CD 3.03Å; E332-R335 IonicContact OE2-NE 2.61Å; E332-R335 PolarHBondContact OE2-NE 3.32Å; E332-I336 VanDerWaalsContact O-CG1 3.28Å; E332-I336 WeakPolarHBondContact O-CG1 3.46Å; E332-I336 PolarHBondContact O-N 3.39Å; E332-L841 HydrophobicContact CB-CD1 3.77Å; E332-L841 HydrophobicContact CB-CD2 3.63Å; E332-L841 HydrophobicContact CB-CG 4.36Å; E332-L841 HydrophobicContact CG-CD1 4.2Å; E332-L983 HydrophobicContact CB-CD1 4.21Å; E332-L983 VanDerWaalsContact CD-CD1 3.44Å; E332-L983 HydrophobicContact CG-CD1 3.36Å
333	T	93.1	Very high	85.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-42.8	167.6	-60	0	0	0	0	110.5	I329 Q330 R335 I336 L337 V346 L456 Q458 L459	I329-T333 VanDerWaalsContact O-CB 3.22Å; I329-T333 WeakPolarHBondContact O-CB 3.47Å; I329-T333 PolarHBondContact O-N 3.33Å; I329-T333 PolarHBondContact O-OG1 3.24Å; Q330-T333 WeakPolarHBondContact O-CB 3.31Å; Q330-T333 PolarHBondContact O-N 3.17Å; T333-R335 VanDerWaalsContact C-N 3.33Å; T333-R335 PolarHBondContact O-N 3.22Å; T333-I336 WeakPolarHBondContact O-CB 3.44Å; T333-I336 PolarHBondContact O-N 3.41Å; T333-L337 HydrophobicContact CG2-CD1 4.06Å; T333-L337 HydrophobicContact CG2-CG 4.33Å; T333-L337 WeakPolarHBondContact O-CB 3.29Å; T333-L337 VanDerWaalsContact O-CG 3.31Å; T333-L337 WeakPolarHBondContact O-CG 3.42Å; T333-L337 PolarHBondContact O-N 3.43Å; T333-V346 HydrophobicContact CG2-CG2 3.44Å; T333-V346 VanDerWaalsContact CG2-CG2 3.44Å; T333-L456 HydrophobicContact CG2-CD1 3.62Å; T333-Q458 PolarHBondContact OG1-NE2 2.67Å; T333-L459 HydrophobicContact CG2-CD2 4.28Å
334	D	91.9	Very high	87	Confident	11 Å²	11	40.3 Å²	40.3	6%	0.059	24%	0.236	C	C	.	.	H	α-helix	trans	-57.3	-45.5	172.4	-89.8	15.6	0	0	0	111.7	R319 L321 Q330 D331 E332 I336 L337 V338 G345 V346	R319-D334 IonicContact CZ-OD2 2.78Å; R319-D334 IonicContact NH1-OD2 3.52Å; R319-D334 PolarHBondContact NH1-OD2 2.89Å; R319-D334 IonicContact NH2-OD2 3.77Å; R319-D334 PolarHBondContact NH2-OD2 3.2Å; L321-D334 HydrophobicContact CD2-CB 4.26Å; Q330-D334 WeakPolarHBondContact O-CB 3.16Å; Q330-D334 PolarHBondContact O-N 3.08Å; D331-D334 WeakPolarHBondContact O-CB 3.49Å; D331-D334 PolarHBondContact O-N 2.72Å; E332-D334 VanDerWaalsContact C-N 3.35Å; D334-I336 VanDerWaalsContact C-N 3.32Å; D334-I336 PolarHBondContact O-N 2.96Å; D334-L337 PolarHBondContact O-N 2.65Å; D334-V338 VanDerWaalsContact O-CG2 3.26Å; D334-V338 WeakPolarHBondContact O-CG2 3.36Å; D334-V338 PolarHBondContact O-N 3.09Å; D334-G345 VanDerWaalsContact CG-CA 3.43Å; D334-G345 WeakPolarHBondContact OD1-CA 3.5Å; D334-V346 WeakPolarHBondContact OD1-CG2 3.43Å; D334-V346 PolarHBondContact OD1-N 2.98Å
335	R	90.1	Very high	87.9	Confident	61 Å²	61	36.7 Å²	36.7	23%	0.23	22%	0.217	C	C	.	.	H	α-helix	trans	-55.2	-47.3	175.2	-173.2	-156	61.3	71.4	-2.9	111.5	I223 D331 E332 T333 G339 E837	I223-R335 HydrophobicContact CD1-CB 3.98Å; I223-R335 HydrophobicContact CD1-CG 3.29Å; D331-R335 PolarHBondContact O-N 3.22Å; E332-R335 WeakPolarHBondContact O-CB 3.29Å; E332-R335 PolarHBondContact O-N 3.33Å; E332-R335 VanDerWaalsContact OE2-CD 3.27Å; E332-R335 WeakPolarHBondContact OE2-CD 3.03Å; E332-R335 IonicContact OE2-NE 2.61Å; E332-R335 PolarHBondContact OE2-NE 3.32Å; T333-R335 VanDerWaalsContact C-N 3.33Å; T333-R335 PolarHBondContact O-N 3.22Å; R335-G339 PolarHBondContact O-N 3.47Å; R335-E837 IonicContact CZ-OE2 3.94Å; R335-E837 VanDerWaalsContact CZ-OE2 3.31Å; R335-E837 IonicContact NH1-OE1 3.95Å; R335-E837 IonicContact NH1-OE2 3.59Å; R335-E837 PolarHBondContact NH1-OE2 3.43Å; R335-E837 IonicContact NH2-OE2 3.55Å; R335-E837 PolarHBondContact NH2-OE2 3.02Å
336	I	93.2	Very high	88.9	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-46.8	177.7	-68.1	165.1	0	0	0	110.6	E332 T333 D334 V338 G339 A340 L456 A834 E837 L841	E332-I336 VanDerWaalsContact O-CG1 3.28Å; E332-I336 WeakPolarHBondContact O-CG1 3.46Å; E332-I336 PolarHBondContact O-N 3.39Å; T333-I336 WeakPolarHBondContact O-CB 3.44Å; T333-I336 PolarHBondContact O-N 3.41Å; D334-I336 VanDerWaalsContact C-N 3.32Å; D334-I336 PolarHBondContact O-N 2.96Å; I336-V338 PolarHBondContact O-N 3.28Å; I336-G339 PolarHBondContact O-N 2.96Å; I336-G339 VanDerWaalsContact O-N 3.12Å; I336-A340 PolarHBondContact O-N 3.44Å; I336-L456 HydrophobicContact CG2-CD2 4.36Å; I336-A834 HydrophobicContact CG2-CB 3.6Å; I336-E837 HydrophobicContact CD1-CB 4.09Å; I336-E837 HydrophobicContact CG1-CB 3.94Å; I336-E837 HydrophobicContact CG2-CB 4.47Å; I336-L841 HydrophobicContact CD1-CD2 4.14Å
337	L	94.4	Very high	89.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.9	-35.1	-177.3	-75.5	-179.1	0	0	0	113.1	T333 D334 G339 A340 G341 F342 V346 A349 L456 V461	T333-L337 HydrophobicContact CG2-CD1 4.06Å; T333-L337 HydrophobicContact CG2-CG 4.33Å; T333-L337 WeakPolarHBondContact O-CB 3.29Å; T333-L337 VanDerWaalsContact O-CG 3.31Å; T333-L337 WeakPolarHBondContact O-CG 3.42Å; T333-L337 PolarHBondContact O-N 3.43Å; D334-L337 PolarHBondContact O-N 2.65Å; L337-G339 VanDerWaalsContact C-N 3.28Å; L337-G339 PolarHBondContact O-N 3.05Å; L337-A340 CarbonylContact O-C 3.47Å; L337-A340 WeakPolarHBondContact O-CA 3.2Å; L337-A340 PolarHBondContact O-N 3.13Å; L337-G341 PolarHBondContact O-N 2.8Å; L337-F342 CarbonylContact C-O 3.57Å; L337-F342 HydrophobicContact CB-CB 4.04Å; L337-F342 HydrophobicContact CD2-CD2 4.36Å; L337-F342 PolarHBondContact O-N 2.94Å; L337-V346 HydrophobicContact CD1-CB 4.23Å; L337-V346 HydrophobicContact CD1-CG2 3.64Å; L337-A349 HydrophobicContact CD1-CB 4.11Å; L337-L456 HydrophobicContact CD2-CD1 4.25Å; L337-L456 HydrophobicContact CG-CD1 4.48Å; L337-V461 HydrophobicContact CD1-CG2 4.48Å; L337-V461 HydrophobicContact CD2-CG2 3.81Å
338	V	91.8	Very high	89.8	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.024	18%	0.181	C	C	.	.	H	α-helix	trans	-57.9	-43.5	171.2	170.6	0	0	0	0	110.7	I223 I300 D334 I336 A340 G341 F342	I223-V338 HydrophobicContact CD1-CB 4.27Å; I223-V338 HydrophobicContact CD1-CG1 4.28Å; I223-V338 HydrophobicContact CG1-CB 4.47Å; I223-V338 HydrophobicContact CG1-CG1 3.97Å; I300-V338 HydrophobicContact CD1-CG2 3.6Å; I300-V338 HydrophobicContact CG1-CG2 4.04Å; D334-V338 VanDerWaalsContact O-CG2 3.26Å; D334-V338 WeakPolarHBondContact O-CG2 3.36Å; D334-V338 PolarHBondContact O-N 3.09Å; I336-V338 PolarHBondContact O-N 3.28Å; V338-A340 PolarHBondContact O-N 2.92Å; V338-G341 PolarHBondContact O-N 3.14Å; V338-F342 PolarHBondContact N-O 3.27Å
339	G	88.6	Confident	90.1	Very high	65 Å²	65	30.8 Å²	30.8	67%	0.67	17%	0.173	S	C	*	.	H	α-helix	trans	-62.5	-30.2	175	0	0	0	0	0	113.4	R335 I336 L337 G341	R335-G339 PolarHBondContact O-N 3.47Å; I336-G339 PolarHBondContact O-N 2.96Å; I336-G339 VanDerWaalsContact O-N 3.12Å; L337-G339 VanDerWaalsContact C-N 3.28Å; L337-G339 PolarHBondContact O-N 3.05Å; G339-G341 VanDerWaalsContact C-N 3.33Å
340	A	91.4	Very high	90.1	Very high	7 Å²	7	31.9 Å²	31.9	6%	0.058	18%	0.177	C	C	.	.	H	α-helix	trans	-82.7	-6.3	173.5	0	0	0	0	0	114.3	I336 L337 V338 F342 I454 A834	I336-A340 PolarHBondContact O-N 3.44Å; L337-A340 CarbonylContact O-C 3.47Å; L337-A340 WeakPolarHBondContact O-CA 3.2Å; L337-A340 PolarHBondContact O-N 3.13Å; V338-A340 PolarHBondContact O-N 2.92Å; A340-F342 HydrophobicContact CB-CD2 4.45Å; A340-I454 HydrophobicContact CB-CD1 3.62Å; A340-A834 HydrophobicContact CB-CB 4.35Å
341	G	89.8	Confident	90.3	Very high	29 Å²	29	34.7 Å²	34.7	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.1	2.3	178	0	0	0	0	0	115.4	L337 V338 G339 I343	L337-G341 PolarHBondContact O-N 2.8Å; V338-G341 PolarHBondContact O-N 3.14Å; G339-G341 VanDerWaalsContact C-N 3.33Å; G341-I343 PolarHBondContact O-N 3.39Å
342	F	91.8	Very high	90.7	Very high	39 Å²	39	34.8 Å²	34.8	17%	0.171	19%	0.19	C	C	.	.			trans	-93	81.4	175.1	-67.9	-81.1	0	0	0	110.1	L337 V338 A340 W344 G345 A349 I454 V461	L337-F342 CarbonylContact C-O 3.57Å; L337-F342 HydrophobicContact CB-CB 4.04Å; L337-F342 HydrophobicContact CD2-CD2 4.36Å; L337-F342 PolarHBondContact O-N 2.94Å; V338-F342 PolarHBondContact N-O 3.27Å; A340-F342 HydrophobicContact CB-CD2 4.45Å; F342-W344 PolarHBondContact O-N 3.28Å; F342-G345 PolarHBondContact O-N 3.47Å; F342-G345 VanDerWaalsContact O-N 3.12Å; F342-A349 HydrophobicContact CB-CB 4.08Å; F342-A349 HydrophobicContact CD1-CB 3.63Å; F342-A349 HydrophobicContact CD2-CB 4.49Å; F342-A349 HydrophobicContact CE1-CB 4.13Å; F342-A349 HydrophobicContact CG-CB 3.82Å; F342-I454 HydrophobicContact CD2-CD1 4.09Å; F342-I454 HydrophobicContact CE2-CD1 3.64Å; F342-V461 HydrophobicContact CE1-CG1 4.18Å; F342-V461 HydrophobicContact CE2-CG1 3.95Å; F342-V461 HydrophobicContact CZ-CG1 3.71Å
343	I	88.7	Confident	90.9	Very high	26 Å²	26	37.6 Å²	37.6	13%	0.133	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-34	-168.8	-52.9	173.3	0	0	0	112.9	A221 I300 L318 G341 G345	A221-I343 HydrophobicContact CB-CB 4.36Å; A221-I343 HydrophobicContact CB-CD1 3.61Å; A221-I343 HydrophobicContact CB-CG1 3.71Å; A221-I343 HydrophobicContact CB-CG2 3.74Å; I300-I343 HydrophobicContact CG2-CG2 3.81Å; L318-I343 HydrophobicContact CD1-CG2 3.41Å; L318-I343 VanDerWaalsContact CD1-CG2 3.41Å; G341-I343 PolarHBondContact O-N 3.39Å; I343-G345 VanDerWaalsContact C-N 3.31Å
344	W	89.6	Confident	91	Very high	135 Å²	135	44.3 Å²	44.3	51%	0.511	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	13.1	-176.2	-61.3	114.3	0	0	0	113.2	L318 R319 F342 A348	L318-W344 HydrophobicContact CB-CH2 3.94Å; L318-W344 HydrophobicContact CB-CZ3 4.3Å; L318-W344 HydrophobicContact CD2-CH2 4.16Å; L318-W344 HydrophobicContact CD2-CZ2 4.21Å; R319-W344 HydrophobicContact CG-CZ3 4.45Å; F342-W344 PolarHBondContact O-N 3.28Å; W344-A348 HydrophobicContact CB-CB 3.39Å; W344-A348 HydrophobicContact CG-CB 4.42Å
345	G	89.4	Confident	91.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	78.3	-160.6	172.1	0	0	0	0	0	114.4	D334 F342 I343 D347 A349	D334-G345 VanDerWaalsContact CG-CA 3.43Å; D334-G345 WeakPolarHBondContact OD1-CA 3.5Å; F342-G345 PolarHBondContact O-N 3.47Å; F342-G345 VanDerWaalsContact O-N 3.12Å; I343-G345 VanDerWaalsContact C-N 3.31Å; G345-D347 PolarHBondContact O-N 3.5Å; G345-A349 WeakPolarHBondContact O-CB 3.4Å; G345-A349 PolarHBondContact O-N 3.19Å
346	V	88.4	Confident	91.6	Very high	11 Å²	11	46.1 Å²	46.1	7%	0.067	26%	0.257	C	S	.	.	H	α-helix	trans	-56.4	-51.7	-174.8	174.4	0	0	0	0	111.3	T333 D334 L337 A348 A349 F350 L459	T333-V346 HydrophobicContact CG2-CG2 3.44Å; T333-V346 VanDerWaalsContact CG2-CG2 3.44Å; D334-V346 WeakPolarHBondContact OD1-CG2 3.43Å; D334-V346 PolarHBondContact OD1-N 2.98Å; L337-V346 HydrophobicContact CD1-CB 4.23Å; L337-V346 HydrophobicContact CD1-CG2 3.64Å; V346-A348 VanDerWaalsContact C-N 3.29Å; V346-A348 PolarHBondContact O-N 3Å; V346-A349 WeakPolarHBondContact O-CB 3.45Å; V346-A349 PolarHBondContact O-N 2.85Å; V346-F350 HydrophobicContact CG1-CD2 4.03Å; V346-F350 HydrophobicContact CG1-CE2 3.83Å; V346-F350 VanDerWaalsContact O-CD2 3.26Å; V346-F350 WeakPolarHBondContact O-CD2 3.42Å; V346-F350 PolarHBondContact O-N 3.33Å; V346-L459 HydrophobicContact CG1-CD2 4.06Å; V346-L459 HydrophobicContact CG2-CD2 4.36Å
347	D	84.8	Confident	91.8	Very high	111 Å²	111	48 Å²	48	59%	0.594	27%	0.267	S	S	*	.	H	α-helix	trans	-58	-42.8	-172.9	-65.8	-19.3	0	0	0	112.2	G345 Q351	G345-D347 PolarHBondContact O-N 3.5Å; D347-Q351 VanDerWaalsContact O-CG 3.29Å; D347-Q351 WeakPolarHBondContact O-CG 3.5Å; D347-Q351 PolarHBondContact O-NE2 2.76Å
348	A	87.1	Confident	91.9	Very high	29 Å²	29	54.5 Å²	54.5	24%	0.24	30%	0.297	C	S	.	.	H	α-helix	trans	-77.1	-27.3	177.2	0	0	0	0	0	113.3	W344 V346 F350 Q351	W344-A348 HydrophobicContact CB-CB 3.39Å; W344-A348 HydrophobicContact CG-CB 4.42Å; V346-A348 VanDerWaalsContact C-N 3.29Å; V346-A348 PolarHBondContact O-N 3Å; A348-F350 VanDerWaalsContact C-N 3.25Å; A348-F350 PolarHBondContact O-N 3.48Å; A348-Q351 PolarHBondContact O-N 3.09Å; A348-Q351 VanDerWaalsContact O-N 3.16Å
349	A	90.3	Very high	92	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.2	-31.7	-180	0	0	0	0	0	112.5	L337 F342 G345 V346 R450 V461	L337-A349 HydrophobicContact CD1-CB 4.11Å; F342-A349 HydrophobicContact CB-CB 4.08Å; F342-A349 HydrophobicContact CD1-CB 3.63Å; F342-A349 HydrophobicContact CD2-CB 4.49Å; F342-A349 HydrophobicContact CE1-CB 4.13Å; F342-A349 HydrophobicContact CG-CB 3.82Å; G345-A349 WeakPolarHBondContact O-CB 3.4Å; G345-A349 PolarHBondContact O-N 3.19Å; V346-A349 WeakPolarHBondContact O-CB 3.45Å; V346-A349 PolarHBondContact O-N 2.85Å; A349-R450 PolarHBondContact O-NH1 2.71Å; A349-V461 HydrophobicContact CB-CG1 3.8Å; A349-V461 HydrophobicContact CB-CG2 3.97Å
350	F	91.3	Very high	92.4	Very high	53 Å²	53	52.8 Å²	52.8	23%	0.232	28%	0.275	C	S	.	.	H	α-helix	trans	-83.2	-17.2	174.4	-73.7	-79.9	0	0	0	114.1	V346 A348 L459 C460 P462	V346-F350 HydrophobicContact CG1-CD2 4.03Å; V346-F350 HydrophobicContact CG1-CE2 3.83Å; V346-F350 VanDerWaalsContact O-CD2 3.26Å; V346-F350 WeakPolarHBondContact O-CD2 3.42Å; V346-F350 PolarHBondContact O-N 3.33Å; A348-F350 VanDerWaalsContact C-N 3.25Å; A348-F350 PolarHBondContact O-N 3.48Å; F350-L459 HydrophobicContact CE2-CD1 4.13Å; F350-L459 HydrophobicContact CE2-CD2 4.13Å; F350-L459 HydrophobicContact CZ-CB 4.18Å; F350-L459 HydrophobicContact CZ-CD1 3.93Å; F350-L459 HydrophobicContact CZ-CD2 4.38Å; F350-L459 HydrophobicContact CZ-CG 4.4Å; F350-C460 WeakPolarHBondContact CE1-O 3.48Å; F350-C460 WeakPolarHBondContact CZ-O 3.33Å; F350-P462 HydrophobicContact CD1-CG 4.42Å
351	Q	92.8	Very high	92.6	Very high	128 Å²	128	59.8 Å²	59.8	60%	0.598	30%	0.3	S	S	*	.			trans	-81.4	146.4	178.3	-70.7	170.8	17.7	0	0	110.8	D347 A348 R450	D347-Q351 VanDerWaalsContact O-CG 3.29Å; D347-Q351 WeakPolarHBondContact O-CG 3.5Å; D347-Q351 PolarHBondContact O-NE2 2.76Å; A348-Q351 PolarHBondContact O-N 3.09Å; A348-Q351 VanDerWaalsContact O-N 3.16Å; Q351-R450 PolarHBondContact O-NH2 3.27Å
352	F	95.2	Very high	92.8	Very high	18 Å²	18	64.6 Å²	64.6	8%	0.079	31%	0.313	C	S	.	.			trans	-121.6	149.1	168.8	-69.1	-101.7	0	0	0	107.1	D354 I357 E446 R450 P462 L464 P465	F352-D354 PolarHBondContact O-N 3.2Å; F352-I357 HydrophobicContact CB-CD1 3.76Å; F352-I357 HydrophobicContact CB-CG1 4.04Å; F352-I357 HydrophobicContact CG-CD1 4.36Å; F352-E446 HydrophobicContact CD1-CG 3.75Å; F352-E446 HydrophobicContact CE1-CG 4.03Å; F352-R450 VanDerWaalsContact CZ-CZ 3.43Å; F352-P462 HydrophobicContact CE2-CG 4.16Å; F352-P462 HydrophobicContact CZ-CG 4.35Å; F352-L464 WeakPolarHBondContact CZ-O 3.22Å; F352-P465 HydrophobicContact CB-CG 4.39Å; F352-P465 HydrophobicContact CD1-CG 3.72Å; F352-P465 HydrophobicContact CD2-CB 4.25Å; F352-P465 HydrophobicContact CD2-CG 4.04Å; F352-P465 HydrophobicContact CE1-CG 3.93Å; F352-P465 HydrophobicContact CE2-CB 4.36Å; F352-P465 HydrophobicContact CE2-CG 4.24Å; F352-P465 HydrophobicContact CG-CB 4.45Å; F352-P465 HydrophobicContact CG-CG 3.79Å; F352-P465 HydrophobicContact CZ-CG 4.2Å
353	P	94.6	Very high	92.9	Very high	61 Å²	61	63.4 Å²	63.4	40%	0.396	31%	0.31	S	S	.	.			trans	-53.3	139.6	176.3	-24.3	33	0	0	0	111.3	I355 V356 I357	P353-I355 HydrophobicContact CB-CG1 3.98Å; P353-I355 PolarHBondContact O-N 2.95Å; P353-I355 VanDerWaalsContact O-N 3.14Å; P353-V356 HydrophobicContact CB-CB 4.47Å; P353-V356 HydrophobicContact CB-CG2 4.02Å; P353-V356 HydrophobicContact CG-CG2 4.07Å; P353-V356 WeakPolarHBondContact O-CA 3.23Å; P353-V356 VanDerWaalsContact O-CB 3.28Å; P353-V356 WeakPolarHBondContact O-CB 3.34Å; P353-V356 PolarHBondContact O-N 3.1Å; P353-I357 PolarHBondContact O-N 3.39Å; P353-I357 VanDerWaalsContact O-N 3.13Å
354	D	96.2	Very high	93.1	Very high	140 Å²	140	62.5 Å²	62.5	75%	0.749	31%	0.305	S	S	*	.	H	α-helix	trans	-55.3	-38.3	-176.7	-66.4	-32.4	0	0	0	112.4	F352 V356 I357 E358	F352-D354 PolarHBondContact O-N 3.2Å; D354-V356 PolarHBondContact O-N 3.44Å; D354-I357 PolarHBondContact O-N 2.83Å; D354-I357 VanDerWaalsContact O-N 3.14Å; D354-E358 WeakPolarHBondContact O-CB 3.49Å; D354-E358 PolarHBondContact O-N 2.83Å
355	I	97.1	Very high	93.3	Very high	105 Å²	105	61.1 Å²	61.1	54%	0.538	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-31.5	175	61.5	171.3	0	0	0	113.1	P353 S359 L442	P353-I355 HydrophobicContact CB-CG1 3.98Å; P353-I355 PolarHBondContact O-N 2.95Å; P353-I355 VanDerWaalsContact O-N 3.14Å; I355-S359 VanDerWaalsContact O-CB 3.28Å; I355-S359 WeakPolarHBondContact O-CB 3.42Å; I355-S359 PolarHBondContact O-N 3.18Å; I355-L442 HydrophobicContact CB-CD1 4.05Å; I355-L442 HydrophobicContact CD1-CD1 4.23Å; I355-L442 HydrophobicContact CG1-CD1 4.2Å; I355-L442 WeakPolarHBondContact O-CD1 3.34Å
356	V	97	Very high	93.4	Very high	6 Å²	6	66 Å²	66	4%	0.036	33%	0.33	C	S	.	.	H	α-helix	trans	-74	-45.6	175.6	174.8	0	0	0	0	109.1	P353 D354 E358 S359 V360 L442 V443 E446 P465	P353-V356 HydrophobicContact CB-CB 4.47Å; P353-V356 HydrophobicContact CB-CG2 4.02Å; P353-V356 HydrophobicContact CG-CG2 4.07Å; P353-V356 WeakPolarHBondContact O-CA 3.23Å; P353-V356 VanDerWaalsContact O-CB 3.28Å; P353-V356 WeakPolarHBondContact O-CB 3.34Å; P353-V356 PolarHBondContact O-N 3.1Å; D354-V356 PolarHBondContact O-N 3.44Å; V356-E358 PolarHBondContact O-N 3.36Å; V356-S359 WeakPolarHBondContact O-CB 3.38Å; V356-S359 PolarHBondContact O-N 3.38Å; V356-V360 WeakPolarHBondContact O-CG2 3.44Å; V356-V360 PolarHBondContact O-N 2.67Å; V356-L442 HydrophobicContact CG2-CB 4.1Å; V356-V443 HydrophobicContact CG1-CB 3.94Å; V356-V443 HydrophobicContact CG1-CG2 4.29Å; V356-E446 HydrophobicContact CG1-CB 4.4Å; V356-E446 HydrophobicContact CG2-CB 4.35Å; V356-P465 HydrophobicContact CG1-CG 4.49Å
357	I	97.1	Very high	93.5	Very high	42 Å²	42	65.7 Å²	65.7	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-44.1	177.7	-63.7	-59.2	0	0	0	111.4	F352 P353 D354 V360 R361 P465	F352-I357 HydrophobicContact CB-CD1 3.76Å; F352-I357 HydrophobicContact CB-CG1 4.04Å; F352-I357 HydrophobicContact CG-CD1 4.36Å; P353-I357 PolarHBondContact O-N 3.39Å; P353-I357 VanDerWaalsContact O-N 3.13Å; D354-I357 PolarHBondContact O-N 2.83Å; D354-I357 VanDerWaalsContact O-N 3.14Å; I357-V360 PolarHBondContact O-N 3.35Å; I357-R361 WeakPolarHBondContact O-CG 3.31Å; I357-R361 PolarHBondContact O-N 2.94Å; I357-P465 HydrophobicContact CD1-CB 3.68Å; I357-P465 HydrophobicContact CD1-CG 3.85Å
358	E	96.1	Very high	93.7	Very high	135 Å²	135	63.5 Å²	63.5	63%	0.631	32%	0.317	S	S	*	.	H	α-helix	trans	-62.9	-43.5	175.7	-172.9	175.3	-159.9	0	0	111.6	D354 V356 V360 R361 K362	D354-E358 WeakPolarHBondContact O-CB 3.49Å; D354-E358 PolarHBondContact O-N 2.83Å; V356-E358 PolarHBondContact O-N 3.36Å; E358-V360 VanDerWaalsContact C-N 3.27Å; E358-V360 PolarHBondContact O-N 3.09Å; E358-R361 PolarHBondContact O-N 2.95Å; E358-K362 WeakPolarHBondContact O-CB 3.37Å; E358-K362 PolarHBondContact O-N 3.4Å
359	S	95.1	Very high	93.8	Very high	32 Å²	32	65.8 Å²	65.8	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-59.6	-36.9	173.4	178.3	0	0	0	0	112.6	I355 V356 S363	I355-S359 VanDerWaalsContact O-CB 3.28Å; I355-S359 WeakPolarHBondContact O-CB 3.42Å; I355-S359 PolarHBondContact O-N 3.18Å; V356-S359 WeakPolarHBondContact O-CB 3.38Å; V356-S359 PolarHBondContact O-N 3.38Å; S359-S363 WeakPolarHBondContact O-CB 3.14Å; S359-S363 PolarHBondContact O-N 3.37Å
360	V	96.8	Very high	93.5	Very high	2 Å²	2	69 Å²	69	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-68.5	-48.9	176.2	169.6	0	0	0	0	110.9	V356 I357 E358 K362 S363 V364 V443 P465 L467 L468	V356-V360 WeakPolarHBondContact O-CG2 3.44Å; V356-V360 PolarHBondContact O-N 2.67Å; I357-V360 PolarHBondContact O-N 3.35Å; E358-V360 VanDerWaalsContact C-N 3.27Å; E358-V360 PolarHBondContact O-N 3.09Å; V360-K362 VanDerWaalsContact C-N 3.3Å; V360-K362 PolarHBondContact O-N 3.17Å; V360-S363 PolarHBondContact O-N 3.41Å; V360-S363 VanDerWaalsContact O-N 3.08Å; V360-V364 HydrophobicContact CG1-CG2 4.18Å; V360-V364 WeakPolarHBondContact O-CG2 3.48Å; V360-V364 PolarHBondContact O-N 3.49Å; V360-V443 HydrophobicContact CG2-CB 3.64Å; V360-V443 HydrophobicContact CG2-CG1 3.99Å; V360-V443 HydrophobicContact CG2-CG2 3.64Å; V360-P465 HydrophobicContact CG2-CG 4.13Å; V360-L467 HydrophobicContact CG1-CB 4.43Å; V360-L467 HydrophobicContact CG1-CD2 3.87Å; V360-L467 HydrophobicContact CG1-CG 4.2Å; V360-L468 HydrophobicContact CG1-CD1 3.97Å; V360-L468 HydrophobicContact CG1-CD2 3.86Å; V360-L468 HydrophobicContact CG1-CG 3.6Å; V360-L468 HydrophobicContact CG2-CD1 3.92Å; V360-L468 HydrophobicContact CG2-CG 4.44Å
361	R	96.6	Very high	93	Very high	153 Å²	153	69.2 Å²	69.2	58%	0.577	35%	0.352	S	S	*	.	H	α-helix	trans	-54.5	-48.9	178.2	-72.8	175.7	-178.7	164.4	1.4	111	I357 E358 S363 V364 D365 L467	I357-R361 WeakPolarHBondContact O-CG 3.31Å; I357-R361 PolarHBondContact O-N 2.94Å; E358-R361 PolarHBondContact O-N 2.95Å; R361-S363 PolarHBondContact O-N 2.9Å; R361-V364 PolarHBondContact O-N 3.01Å; R361-V364 VanDerWaalsContact O-N 3.15Å; R361-D365 VanDerWaalsContact O-CG 3.24Å; R361-D365 PolarHBondContact O-N 2.93Å; R361-L467 HydrophobicContact CG-CD2 3.86Å
362	K	93.8	Very high	92.4	Very high	131 Å²	131	70.8 Å²	70.8	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-57.3	-46.6	175.3	-176.7	178.1	174.8	-179.4	0	112.4	E358 V360 V364 D365 E366	E358-K362 WeakPolarHBondContact O-CB 3.37Å; E358-K362 PolarHBondContact O-N 3.4Å; V360-K362 VanDerWaalsContact C-N 3.3Å; V360-K362 PolarHBondContact O-N 3.17Å; K362-V364 VanDerWaalsContact C-N 3.3Å; K362-V364 PolarHBondContact O-N 3.41Å; K362-D365 PolarHBondContact O-N 3.46Å; K362-E366 WeakPolarHBondContact CE-OE1 3.47Å; K362-E366 WeakPolarHBondContact O-CB 3.49Å; K362-E366 VanDerWaalsContact O-CG 3.31Å; K362-E366 WeakPolarHBondContact O-CG 3.28Å; K362-E366 PolarHBondContact O-N 2.94Å
363	S	92.6	Very high	91.9	Very high	14 Å²	14	77.3 Å²	77.3	10%	0.098	39%	0.388	C	S	.	.	H	α-helix	trans	-63.6	-35.9	178.3	-175.8	0	0	0	0	112.7	S359 V360 R361 V367 F436	S359-S363 WeakPolarHBondContact O-CB 3.14Å; S359-S363 PolarHBondContact O-N 3.37Å; V360-S363 PolarHBondContact O-N 3.41Å; V360-S363 VanDerWaalsContact O-N 3.08Å; R361-S363 PolarHBondContact O-N 2.9Å; S363-V367 WeakPolarHBondContact O-CB 3.27Å; S363-V367 VanDerWaalsContact O-CG2 3.28Å; S363-V367 WeakPolarHBondContact O-CG2 3.21Å; S363-V367 PolarHBondContact O-N 3.4Å; S363-F436 PolarHBondContact OG-O 3.38Å
364	V	94.2	Very high	91.4	Very high	7 Å²	7	75.5 Å²	75.5	4%	0.042	37%	0.374	C	S	.	.	H	α-helix	trans	-69.1	-43.4	176.7	170.5	0	0	0	0	110.3	V360 R361 K362 V367 N368 F436 L467 L468 Q472	V360-V364 HydrophobicContact CG1-CG2 4.18Å; V360-V364 WeakPolarHBondContact O-CG2 3.48Å; V360-V364 PolarHBondContact O-N 3.49Å; R361-V364 PolarHBondContact O-N 3.01Å; R361-V364 VanDerWaalsContact O-N 3.15Å; K362-V364 VanDerWaalsContact C-N 3.3Å; K362-V364 PolarHBondContact O-N 3.41Å; V364-V367 PolarHBondContact O-N 2.99Å; V364-N368 WeakPolarHBondContact CG1-ND2 3.39Å; V364-N368 WeakPolarHBondContact O-CB 3.44Å; V364-N368 VanDerWaalsContact O-CG 3.28Å; V364-N368 PolarHBondContact O-N 2.91Å; V364-N368 PolarHBondContact O-ND2 3Å; V364-F436 HydrophobicContact CG2-CD1 4.37Å; V364-L467 HydrophobicContact CG2-CD2 4.46Å; V364-L467 HydrophobicContact CG2-CG 4.46Å; V364-L468 HydrophobicContact CG2-CD2 4Å; V364-Q472 HydrophobicContact CG1-CG 3.85Å; V364-Q472 HydrophobicContact CG2-CG 3.83Å
365	D	93.9	Very high	90.8	Very high	105 Å²	105	71.5 Å²	71.5	56%	0.561	35%	0.35	S	S	*	.	H	α-helix	trans	-62.3	-44.2	176.5	-66.2	-24.3	0	0	0	111.5	R361 K362 N368 A369	R361-D365 VanDerWaalsContact O-CG 3.24Å; R361-D365 PolarHBondContact O-N 2.93Å; K362-D365 PolarHBondContact O-N 3.46Å; D365-N368 PolarHBondContact O-N 3.36Å; D365-A369 VanDerWaalsContact O-CB 3.31Å; D365-A369 WeakPolarHBondContact O-CB 3.46Å; D365-A369 PolarHBondContact O-N 3.39Å
366	E	90.5	Very high	90.5	Very high	102 Å²	102	72.9 Å²	72.9	48%	0.477	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-48.9	174.7	-75.6	172.3	-177.7	0	0	111.5	K362 N368 A369 I370	K362-E366 WeakPolarHBondContact CE-OE1 3.47Å; K362-E366 WeakPolarHBondContact O-CB 3.49Å; K362-E366 VanDerWaalsContact O-CG 3.31Å; K362-E366 WeakPolarHBondContact O-CG 3.28Å; K362-E366 PolarHBondContact O-N 2.94Å; E366-N368 VanDerWaalsContact C-N 3.35Å; E366-N368 PolarHBondContact O-N 3.26Å; E366-A369 PolarHBondContact O-N 2.73Å; E366-I370 WeakPolarHBondContact O-CG1 3.43Å; E366-I370 PolarHBondContact O-N 3.41Å; E366-I370 VanDerWaalsContact O-N 3.11Å
367	V	90.2	Very high	90.4	Very high	5 Å²	5	73.3 Å²	73.3	3%	0.03	36%	0.359	C	S	.	.	H	α-helix	trans	-59	-46.4	176.5	160.1	0	0	0	0	111	S363 V364 A369 I370 R371 Y435 F436 L482	S363-V367 WeakPolarHBondContact O-CB 3.27Å; S363-V367 VanDerWaalsContact O-CG2 3.28Å; S363-V367 WeakPolarHBondContact O-CG2 3.21Å; S363-V367 PolarHBondContact O-N 3.4Å; V364-V367 PolarHBondContact O-N 2.99Å; V367-A369 VanDerWaalsContact C-N 3.32Å; V367-A369 PolarHBondContact O-N 2.94Å; V367-I370 PolarHBondContact O-N 2.74Å; V367-R371 WeakPolarHBondContact O-CA 3.49Å; V367-R371 VanDerWaalsContact O-CB 3.28Å; V367-R371 WeakPolarHBondContact O-CB 3.37Å; V367-R371 PolarHBondContact O-N 3.4Å; V367-Y435 HydrophobicContact CB-CE1 4.14Å; V367-Y435 HydrophobicContact CG1-CD1 4.19Å; V367-Y435 HydrophobicContact CG1-CE1 3.57Å; V367-Y435 HydrophobicContact CG2-CD1 3.98Å; V367-Y435 HydrophobicContact CG2-CE1 3.57Å; V367-F436 HydrophobicContact CB-CD1 4.2Å; V367-F436 HydrophobicContact CB-CE1 4.04Å; V367-F436 HydrophobicContact CG1-CD1 4.05Å; V367-F436 HydrophobicContact CG1-CE1 3.44Å; V367-F436 VanDerWaalsContact CG1-CE1 3.44Å; V367-F436 HydrophobicContact CG1-CZ 3.99Å; V367-F436 HydrophobicContact CG2-CD1 4.03Å; V367-F436 HydrophobicContact CG2-CE1 4.3Å; V367-L482 HydrophobicContact CG1-CD1 4.23Å
368	N	88.8	Confident	90.4	Very high	65 Å²	65	72 Å²	72	35%	0.348	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-37.2	179.4	-76	-30.8	0	0	0	111.9	V364 D365 E366 R371	V364-N368 WeakPolarHBondContact CG1-ND2 3.39Å; V364-N368 WeakPolarHBondContact O-CB 3.44Å; V364-N368 VanDerWaalsContact O-CG 3.28Å; V364-N368 PolarHBondContact O-N 2.91Å; V364-N368 PolarHBondContact O-ND2 3Å; D365-N368 PolarHBondContact O-N 3.36Å; E366-N368 VanDerWaalsContact C-N 3.35Å; E366-N368 PolarHBondContact O-N 3.26Å; N368-R371 WeakPolarHBondContact O-CB 3.29Å
369	A	88.8	Confident	90.4	Very high	78 Å²	78	69.5 Å²	69.5	65%	0.645	34%	0.339	S	S	*	.	H	α-helix	trans	-68.9	-32	178.6	0	0	0	0	0	113.6	D365 E366 V367	D365-A369 VanDerWaalsContact O-CB 3.31Å; D365-A369 WeakPolarHBondContact O-CB 3.46Å; D365-A369 PolarHBondContact O-N 3.39Å; E366-A369 PolarHBondContact O-N 2.73Å; V367-A369 VanDerWaalsContact C-N 3.32Å; V367-A369 PolarHBondContact O-N 2.94Å
370	I	85.8	Confident	90.5	Very high	68 Å²	68	71.4 Å²	71.4	35%	0.349	35%	0.346	S	S	.	.	H	α-helix	trans	-99.8	-4.1	178.6	71.3	-177.4	0	0	0	113.3	E366 V367 E372 K373 D374	E366-I370 WeakPolarHBondContact O-CG1 3.43Å; E366-I370 PolarHBondContact O-N 3.41Å; E366-I370 VanDerWaalsContact O-N 3.11Å; V367-I370 PolarHBondContact O-N 2.74Å; I370-E372 PolarHBondContact O-N 3.37Å; I370-E372 VanDerWaalsContact O-N 3.12Å; I370-K373 WeakPolarHBondContact O-CA 3.44Å; I370-K373 WeakPolarHBondContact O-CB 3.38Å; I370-K373 PolarHBondContact O-N 2.94Å; I370-D374 PolarHBondContact O-N 2.85Å
371	R	79.7	Confident	90.5	Very high	57 Å²	57	71.3 Å²	71.3	22%	0.215	35%	0.346	C	S	.	.	H	α-helix	trans	-51.3	-42.6	-171.5	-166.4	173.6	170.2	161.6	-5.6	113.2	V367 N368 D374 F375 D480	V367-R371 WeakPolarHBondContact O-CA 3.49Å; V367-R371 VanDerWaalsContact O-CB 3.28Å; V367-R371 WeakPolarHBondContact O-CB 3.37Å; V367-R371 PolarHBondContact O-N 3.4Å; N368-R371 WeakPolarHBondContact O-CB 3.29Å; R371-D374 PolarHBondContact O-N 3.41Å; R371-F375 HydrophobicContact CG-CE1 3.92Å; R371-F375 HydrophobicContact CG-CE2 4.4Å; R371-F375 HydrophobicContact CG-CZ 3.65Å; R371-F375 WeakPolarHBondContact O-CD1 3.45Å; R371-F375 WeakPolarHBondContact O-CD2 3.19Å; R371-F375 WeakPolarHBondContact O-CG 3.5Å; R371-F375 PolarHBondContact O-N 3.29Å; R371-D480 VanDerWaalsContact NH2-C 3.35Å; R371-D480 PolarHBondContact NH2-O 2.84Å
372	E	81.3	Confident	90.5	Very high	160 Å²	160	68.2 Å²	68.2	75%	0.748	33%	0.334	S	S	*	.	H	α-helix	trans	-68.6	-37.2	179.1	-67.9	-172.8	170.2	0	0	113.3	I370 F375	I370-E372 PolarHBondContact O-N 3.37Å; I370-E372 VanDerWaalsContact O-N 3.12Å; E372-F375 VanDerWaalsContact CA-CD2 3.44Å; E372-F375 HydrophobicContact CB-CD2 4.34Å; E372-F375 HydrophobicContact CB-CE2 4.44Å; E372-F375 HydrophobicContact CG-CD2 4.45Å; E372-F375 HydrophobicContact CG-CE2 4.1Å; E372-F375 WeakPolarHBondContact O-CB 3.36Å; E372-F375 PolarHBondContact O-N 3.07Å
373	K	83.2	Confident	90.6	Very high	156 Å²	156	68.8 Å²	68.8	68%	0.678	34%	0.336	S	S	*	.	H	α-helix	trans	-70.6	-35.1	178	-63.7	-179.2	-179.2	176.7	0	111.4	I370 F375 I376	I370-K373 WeakPolarHBondContact O-CA 3.44Å; I370-K373 WeakPolarHBondContact O-CB 3.38Å; I370-K373 PolarHBondContact O-N 2.94Å; K373-F375 PolarHBondContact O-N 3.45Å; K373-I376 WeakPolarHBondContact O-CG2 3.49Å
374	D	84.2	Confident	90.8	Very high	22 Å²	22	69.9 Å²	69.9	12%	0.118	34%	0.339	C	S	.	.	H	α-helix	trans	-80.1	-8.5	-179	-77.7	24	0	0	0	112.8	I370 R371 I376 F377 R378 Y435 W802	I370-D374 PolarHBondContact O-N 2.85Å; R371-D374 PolarHBondContact O-N 3.41Å; D374-I376 VanDerWaalsContact C-N 3.28Å; D374-I376 PolarHBondContact O-N 3.41Å; D374-F377 PolarHBondContact O-N 3.03Å; D374-R378 PolarHBondContact O-N 3.3Å; D374-Y435 PolarHBondContact OD2-OH 2.98Å; D374-W802 VanDerWaalsContact CG-NE1 3.31Å; D374-W802 PolarHBondContact OD2-NE1 2.6Å
375	F	84.9	Confident	91	Very high	56 Å²	56	69.9 Å²	69.9	25%	0.246	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-63	-31.4	177.5	-73.3	-36	0	0	0	113.5	R371 E372 K373 F377 R378 L482 F505	R371-F375 HydrophobicContact CG-CE1 3.92Å; R371-F375 HydrophobicContact CG-CE2 4.4Å; R371-F375 HydrophobicContact CG-CZ 3.65Å; R371-F375 WeakPolarHBondContact O-CD1 3.45Å; R371-F375 WeakPolarHBondContact O-CD2 3.19Å; R371-F375 WeakPolarHBondContact O-CG 3.5Å; R371-F375 PolarHBondContact O-N 3.29Å; E372-F375 VanDerWaalsContact CA-CD2 3.44Å; E372-F375 HydrophobicContact CB-CD2 4.34Å; E372-F375 HydrophobicContact CB-CE2 4.44Å; E372-F375 HydrophobicContact CG-CD2 4.45Å; E372-F375 HydrophobicContact CG-CE2 4.1Å; E372-F375 WeakPolarHBondContact O-CB 3.36Å; E372-F375 PolarHBondContact O-N 3.07Å; K373-F375 PolarHBondContact O-N 3.45Å; F375-F377 PolarHBondContact O-N 2.95Å; F375-R378 PolarHBondContact O-N 2.87Å; F375-R378 VanDerWaalsContact O-O 3.12Å; F375-L482 HydrophobicContact CE1-CD2 4.47Å; F375-F505 AromaticContact CD1-CD1 3.77Å; F375-F505 HydrophobicContact CD1-CD1 3.77Å; F375-F505 AromaticContact CD1-CE1 3.85Å; F375-F505 HydrophobicContact CD1-CE1 3.85Å; F375-F505 HydrophobicContact CD1-CG 4.15Å; F375-F505 HydrophobicContact CD1-CZ 4.33Å; F375-F505 AromaticContact CE1-CD1 3.45Å; F375-F505 HydrophobicContact CE1-CD1 3.45Å; F375-F505 VanDerWaalsContact CE1-CD1 3.45Å; F375-F505 AromaticContact CE1-CD2 3.89Å; F375-F505 HydrophobicContact CE1-CD2 3.89Å; F375-F505 AromaticContact CE1-CE1 3.12Å; F375-F505 HydrophobicContact CE1-CE1 3.12Å; F375-F505 AromaticContact CE1-CE2 3.65Å; F375-F505 HydrophobicContact CE1-CE2 3.65Å; F375-F505 AromaticContact CE1-CG 3.81Å; F375-F505 HydrophobicContact CE1-CG 3.81Å; F375-F505 AromaticContact CE1-CZ 3.23Å; F375-F505 HydrophobicContact CE1-CZ 3.23Å; F375-F505 HydrophobicContact CE2-CE1 4.07Å; F375-F505 HydrophobicContact CE2-CZ 4.39Å; F375-F505 HydrophobicContact CZ-CD1 4.05Å; F375-F505 AromaticContact CZ-CE1 3.26Å; F375-F505 HydrophobicContact CZ-CE1 3.26Å; F375-F505 HydrophobicContact CZ-CE2 4.08Å; F375-F505 AromaticContact CZ-CZ 3.27Å; F375-F505 HydrophobicContact CZ-CZ 3.27Å
376	I	90.5	Very high	91.3	Very high	135 Å²	135	64.9 Å²	64.9	69%	0.692	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-59.9	-31.5	176.7	165.3	166.5	0	0	0	112	K373 D374	K373-I376 WeakPolarHBondContact O-CG2 3.49Å; D374-I376 VanDerWaalsContact C-N 3.28Å; D374-I376 PolarHBondContact O-N 3.41Å
377	F	94.5	Very high	91.7	Very high	15 Å²	15	60.1 Å²	60.1	7%	0.066	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-87.3	-14.9	-179.1	-56.7	-50.3	0	0	0	113.8	D374 F375 E798 K799 W802	D374-F377 PolarHBondContact O-N 3.03Å; F375-F377 PolarHBondContact O-N 2.95Å; F377-E798 HydrophobicContact CE1-CB 4.4Å; F377-E798 HydrophobicContact CE1-CG 4.3Å; F377-E798 HydrophobicContact CE2-CG 4.33Å; F377-E798 HydrophobicContact CZ-CB 4.16Å; F377-E798 HydrophobicContact CZ-CG 3.58Å; F377-K799 HydrophobicContact CB-CD 4.48Å; F377-K799 HydrophobicContact CB-CG 4.13Å; F377-K799 HydrophobicContact CD1-CB 3.58Å; F377-K799 HydrophobicContact CD1-CD 3.96Å; F377-K799 HydrophobicContact CD1-CG 3.65Å; F377-K799 HydrophobicContact CE1-CB 3.9Å; F377-K799 HydrophobicContact CE1-CG 4.45Å; F377-K799 HydrophobicContact CG-CB 4.38Å; F377-K799 HydrophobicContact CG-CG 4.14Å; F377-K799 WeakPolarHBondContact O-CE 3.42Å; F377-W802 HydrophobicContact CB-CD2 3.74Å; F377-W802 HydrophobicContact CB-CE3 3.69Å; F377-W802 HydrophobicContact CB-CG 4.25Å; F377-W802 HydrophobicContact CB-CH2 4.15Å; F377-W802 HydrophobicContact CB-CZ2 4.27Å; F377-W802 HydrophobicContact CB-CZ3 3.9Å; F377-W802 HydrophobicContact CD2-CB 4.02Å; F377-W802 AromaticContact CD2-CD1 3.85Å; F377-W802 HydrophobicContact CD2-CD2 4.1Å; F377-W802 AromaticContact CD2-CG 3.72Å; F377-W802 HydrophobicContact CD2-CG 3.72Å; F377-W802 HydrophobicContact CE2-CB 4.42Å; F377-W802 HydrophobicContact CE2-CG 4.47Å; F377-W802 HydrophobicContact CG-CB 4.42Å; F377-W802 HydrophobicContact CG-CD2 4.2Å; F377-W802 HydrophobicContact CG-CE3 4.44Å; F377-W802 HydrophobicContact CG-CG 4.19Å
378	R	96.2	Very high	92.1	Very high	14 Å²	14	59.9 Å²	59.9	5%	0.053	29%	0.288	C	S	.	.	S	Bend	trans	-92.6	138.2	178.4	-70.3	-178.9	177.9	-86	-4.7	110.8	D374 F375 D380 D432 Y435 A483 R503 T504 W802	D374-R378 PolarHBondContact O-N 3.3Å; F375-R378 PolarHBondContact O-N 2.87Å; F375-R378 VanDerWaalsContact O-O 3.12Å; R378-D380 PolarHBondContact O-N 2.86Å; R378-D432 IonicContact CZ-OD2 3.03Å; R378-D432 VanDerWaalsContact CZ-OD2 3.23Å; R378-D432 IonicContact NH1-OD2 2.73Å; R378-D432 PolarHBondContact NH1-OD2 3.47Å; R378-D432 IonicContact NH2-OD2 3.32Å; R378-D432 PolarHBondContact NH2-OD2 3.3Å; R378-Y435 VanDerWaalsContact NH2-CD2 3.33Å; R378-Y435 VanDerWaalsContact NH2-CG 3.33Å; R378-A483 PolarHBondContact NH1-O 2.98Å; R378-R503 WeakPolarHBondContact CA-O 3.38Å; R378-R503 HydrophobicContact CG-CB 4.33Å; R378-T504 PolarHBondContact NH1-O 2.93Å; R378-W802 HydrophobicContact CG-CH2 3.66Å; R378-W802 HydrophobicContact CG-CZ2 3.87Å
379	K	96.6	Very high	92.5	Very high	83 Å²	83	56.9 Å²	56.9	36%	0.361	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.3	169.6	-174	172.8	-174.8	-171.8	0	109.7	F381 W500 R503 T504 F505	K379-F381 HydrophobicContact CD-CE1 3.8Å; K379-F381 HydrophobicContact CD-CE2 4.17Å; K379-F381 HydrophobicContact CD-CZ 3.49Å; K379-F381 VanDerWaalsContact CD-CZ 3.49Å; K379-F381 VanDerWaalsContact CE-CE1 3.41Å; K379-F381 HydrophobicContact CG-CD1 4.45Å; K379-F381 HydrophobicContact CG-CE1 4Å; K379-F381 HydrophobicContact CG-CE2 4.36Å; K379-F381 HydrophobicContact CG-CZ 3.96Å; K379-W500 HydrophobicContact CB-CH2 3.83Å; K379-W500 HydrophobicContact CB-CZ2 4.24Å; K379-W500 HydrophobicContact CD-CH2 3.85Å; K379-W500 HydrophobicContact CD-CZ2 4.01Å; K379-W500 HydrophobicContact CD-CZ3 4.25Å; K379-W500 HydrophobicContact CG-CH2 4.46Å; K379-R503 PolarHBondContact N-O 3.05Å; K379-T504 HydrophobicContact CB-CG2 4.22Å; K379-T504 CarbonylContact O-C 3.56Å; K379-T504 WeakPolarHBondContact O-CA 3.42Å; K379-T504 WeakPolarHBondContact O-CB 3.41Å; K379-F505 PolarHBondContact O-N 3.16Å
380	D	96.9	Very high	92.9	Very high	71 Å²	71	53.7 Å²	53.7	38%	0.38	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.1	-178.6	-166.8	-9.9	0	0	0	111.5	R378 R382	R378-D380 PolarHBondContact O-N 2.86Å; D380-R382 VanDerWaalsContact OD1-CB 3.31Å; D380-R382 WeakPolarHBondContact OD1-CB 3.33Å; D380-R382 VanDerWaalsContact OD1-CG 3.31Å; D380-R382 WeakPolarHBondContact OD1-CG 3.4Å; D380-R382 PolarHBondContact OD1-N 3Å; D380-R382 IonicContact OD1-NE 3.13Å; D380-R382 PolarHBondContact OD1-NE 3.44Å; D380-R382 IonicContact OD2-CZ 3.63Å; D380-R382 IonicContact OD2-NE 3.97Å; D380-R382 PolarHBondContact OD2-NE 2.98Å; D380-R382 VanDerWaalsContact OD2-NE 3.14Å; D380-R382 IonicContact OD2-NH2 2.84Å; D380-R382 PolarHBondContact OD2-NH2 3.19Å
381	F	97.9	Very high	93.3	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	25%	0.246	C	C	.	.			trans	-120.9	8.6	177.9	-72.2	-39.3	0	0	0	112.6	K379 K383 Y384 H429 V487 W500 T504 F505 I506	K379-F381 HydrophobicContact CD-CE1 3.8Å; K379-F381 HydrophobicContact CD-CE2 4.17Å; K379-F381 HydrophobicContact CD-CZ 3.49Å; K379-F381 VanDerWaalsContact CD-CZ 3.49Å; K379-F381 VanDerWaalsContact CE-CE1 3.41Å; K379-F381 HydrophobicContact CG-CD1 4.45Å; K379-F381 HydrophobicContact CG-CE1 4Å; K379-F381 HydrophobicContact CG-CE2 4.36Å; K379-F381 HydrophobicContact CG-CZ 3.96Å; F381-K383 PolarHBondContact O-N 3.19Å; F381-K383 VanDerWaalsContact O-N 3.1Å; F381-Y384 HydrophobicContact CB-CD2 4.12Å; F381-Y384 AromaticContact CD1-CD2 3.44Å; F381-Y384 HydrophobicContact CD1-CD2 3.44Å; F381-Y384 VanDerWaalsContact CD1-CD2 3.44Å; F381-Y384 AromaticContact CD1-CE2 3.27Å; F381-Y384 HydrophobicContact CD1-CE2 3.27Å; F381-Y384 HydrophobicContact CE1-CD2 4.1Å; F381-Y384 AromaticContact CE1-CE2 3.55Å; F381-Y384 HydrophobicContact CE1-CE2 3.55Å; F381-Y384 HydrophobicContact CG-CD2 4.07Å; F381-Y384 HydrophobicContact CG-CE2 4.31Å; F381-Y384 PolarHBondContact O-N 3.2Å; F381-H429 AromaticContact CD2-CE1 3.41Å; F381-H429 VanDerWaalsContact CD2-CE1 3.41Å; F381-H429 WeakPolarHBondContact CD2-CE1 3.38Å; F381-H429 AromaticContact CD2-ND1 3.97Å; F381-H429 AromaticContact CE2-CE1 3.84Å; F381-V487 HydrophobicContact CE2-CG2 3.73Å; F381-V487 HydrophobicContact CZ-CG2 3.83Å; F381-W500 HydrophobicContact CE2-CZ3 4.25Å; F381-T504 HydrophobicContact CD2-CG2 3.51Å; F381-T504 HydrophobicContact CE2-CG2 3.46Å; F381-T504 VanDerWaalsContact CE2-CG2 3.46Å; F381-F505 PolarHBondContact N-O 3.39Å; F381-I506 HydrophobicContact CB-CG2 3.97Å
382	R	96.4	Very high	93.8	Very high	87 Å²	87	54.5 Å²	54.5	33%	0.328	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.9	177.7	-66.4	177.3	-67.4	173	0.4	113.5	D380 Y384 D480 F505 R507	D380-R382 VanDerWaalsContact OD1-CB 3.31Å; D380-R382 WeakPolarHBondContact OD1-CB 3.33Å; D380-R382 VanDerWaalsContact OD1-CG 3.31Å; D380-R382 WeakPolarHBondContact OD1-CG 3.4Å; D380-R382 PolarHBondContact OD1-N 3Å; D380-R382 IonicContact OD1-NE 3.13Å; D380-R382 PolarHBondContact OD1-NE 3.44Å; D380-R382 IonicContact OD2-CZ 3.63Å; D380-R382 IonicContact OD2-NE 3.97Å; D380-R382 PolarHBondContact OD2-NE 2.98Å; D380-R382 VanDerWaalsContact OD2-NE 3.14Å; D380-R382 IonicContact OD2-NH2 2.84Å; D380-R382 PolarHBondContact OD2-NH2 3.19Å; R382-Y384 PolarHBondContact O-N 2.96Å; R382-D480 WeakPolarHBondContact CD-OD1 3.39Å; R382-D480 IonicContact CZ-OD2 3.21Å; R382-D480 IonicContact NH1-OD2 2.65Å; R382-D480 PolarHBondContact NH1-OD2 3.08Å; R382-F505 VanDerWaalsContact CD-CD1 3.45Å; R382-F505 VanDerWaalsContact CD-CE1 3.49Å; R382-F505 HydrophobicContact CG-CD1 4.15Å; R382-F505 HydrophobicContact CG-CG 4.4Å; R382-F505 PolarHBondContact N-O 3.4Å; R382-R507 HydrophobicContact CB-CB 4.22Å; R382-R507 HydrophobicContact CG-CB 4.07Å
383	K	95.8	Very high	94.2	Very high	144 Å²	144	52.6 Å²	52.6	63%	0.626	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.1	175.8	68.5	172.1	-179.3	168.3	0	113.7	F381 Y540	F381-K383 PolarHBondContact O-N 3.19Å; F381-K383 VanDerWaalsContact O-N 3.1Å; K383-Y540 PolarHBondContact O-OH 3.08Å
384	Y	97.6	Very high	94.6	Very high	37 Å²	37	46 Å²	46	15%	0.145	24%	0.237	C	C	.	.	S	Bend	trans	-94.6	159.1	-177.1	-63.7	-31.6	0	0	0	112.4	F381 R382 V386 H402 R404 Y540	F381-Y384 HydrophobicContact CB-CD2 4.12Å; F381-Y384 AromaticContact CD1-CD2 3.44Å; F381-Y384 HydrophobicContact CD1-CD2 3.44Å; F381-Y384 VanDerWaalsContact CD1-CD2 3.44Å; F381-Y384 AromaticContact CD1-CE2 3.27Å; F381-Y384 HydrophobicContact CD1-CE2 3.27Å; F381-Y384 HydrophobicContact CE1-CD2 4.1Å; F381-Y384 AromaticContact CE1-CE2 3.55Å; F381-Y384 HydrophobicContact CE1-CE2 3.55Å; F381-Y384 HydrophobicContact CG-CD2 4.07Å; F381-Y384 HydrophobicContact CG-CE2 4.31Å; F381-Y384 PolarHBondContact O-N 3.2Å; R382-Y384 PolarHBondContact O-N 2.96Å; Y384-V386 VanDerWaalsContact C-N 3.29Å; Y384-V386 PolarHBondContact O-N 3.01Å; Y384-H402 AromaticContact CD2-NE2 3.83Å; Y384-R404 PolarHBondContact OH-NE 2.77Å; Y384-Y540 VanDerWaalsContact CA-OH 3.24Å; Y384-Y540 WeakPolarHBondContact CA-OH 3.26Å; Y384-Y540 WeakPolarHBondContact O-CE2 3.39Å
385	C	98.3	Very high	95	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.047	26%	0.259	C	S	.	.			trans	-75.1	81.5	177.4	-166.3	0	0	0	0	109.5	H402 Y540 I545 N548	C385-H402 WeakPolarHBondContact O-CB 3.4Å; C385-Y540 HydrophobicContact CB-CD1 3.74Å; C385-Y540 HydrophobicContact CB-CD2 4.29Å; C385-Y540 HydrophobicContact CB-CE1 3.46Å; C385-Y540 VanDerWaalsContact CB-CE1 3.46Å; C385-Y540 HydrophobicContact CB-CE2 4.05Å; C385-Y540 HydrophobicContact CB-CG 4.15Å; C385-Y540 VanDerWaalsContact N-CZ 3.25Å; C385-Y540 PolarHBondContact N-OH 2.99Å; C385-I545 WeakPolarHBondContact SG-CD1 3.36Å; C385-N548 VanDerWaalsContact CB-ND2 3.34Å; C385-N548 WeakPolarHBondContact CB-ND2 3.45Å; C385-N548 PolarHBondContact SG-ND2 2.99Å
386	V	98.7	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.5	179.7	-178.6	0	0	0	0	109.2	Y384 A400 L401 H402 I506 S508 C509	Y384-V386 VanDerWaalsContact C-N 3.29Å; Y384-V386 PolarHBondContact O-N 3.01Å; V386-A400 HydrophobicContact CG1-CB 3.63Å; V386-L401 WeakPolarHBondContact CA-O 3.39Å; V386-H402 HydrophobicContact CG2-CB 4.05Å; V386-I506 HydrophobicContact CG1-CB 4.45Å; V386-I506 HydrophobicContact CG1-CD1 3.97Å; V386-S508 CarbonylContact O-C 3.53Å; V386-S508 VanDerWaalsContact O-CA 3.32Å; V386-S508 WeakPolarHBondContact O-CA 3.42Å; V386-C509 PolarHBondContact O-N 3.39Å; V386-C509 PolarHBondContact O-SG 3.22Å
387	F	98.7	Very high	95.8	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163.1	176.3	53.4	-92.2	0	0	0	111.1	I389 A400 L401 C510 L512 I545 N548 V549 L552	F387-I389 HydrophobicContact CD2-CG1 4.14Å; F387-I389 HydrophobicContact CE2-CD1 4.1Å; F387-I389 HydrophobicContact CE2-CG1 4.19Å; F387-A400 CarbonylContact O-C 3.54Å; F387-A400 WeakPolarHBondContact O-CA 3.37Å; F387-L401 PolarHBondContact N-O 3.42Å; F387-L401 PolarHBondContact O-N 2.81Å; F387-C510 WeakPolarHBondContact CA-O 3.15Å; F387-C510 WeakPolarHBondContact CB-O 3.49Å; F387-L512 HydrophobicContact CD2-CD1 4.03Å; F387-L512 HydrophobicContact CE2-CD1 4.36Å; F387-I545 HydrophobicContact CB-CD1 4.46Å; F387-I545 HydrophobicContact CD1-CD1 3.82Å; F387-I545 HydrophobicContact CD1-CG2 4.31Å; F387-I545 HydrophobicContact CE1-CD1 4.48Å; F387-I545 HydrophobicContact CG-CD1 4.39Å; F387-I545 HydrophobicContact CG-CG2 4.39Å; F387-N548 HydrophobicContact CE1-CB 3.8Å; F387-N548 HydrophobicContact CZ-CB 4.11Å; F387-V549 HydrophobicContact CD2-CG2 4.5Å; F387-V549 HydrophobicContact CE2-CG2 3.6Å; F387-V549 HydrophobicContact CZ-CG2 3.69Å; F387-L552 HydrophobicContact CE2-CD1 4.28Å; F387-L552 HydrophobicContact CZ-CD1 3.72Å
388	T	98.5	Very high	96	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	154.7	174.9	86.2	0	0	0	0	111	D390 L397 D399 A400 L475 C510 L512	T388-D390 WeakPolarHBondContact CB-OD2 3.48Å; T388-D390 PolarHBondContact OG1-OD2 2.96Å; T388-L397 HydrophobicContact CG2-CB 4.48Å; T388-L397 HydrophobicContact CG2-CD1 4.35Å; T388-D399 WeakPolarHBondContact CB-O 3.44Å; T388-D399 WeakPolarHBondContact CG2-O 3.33Å; T388-A400 HydrophobicContact CG2-CB 3.89Å; T388-L475 HydrophobicContact CG2-CB 4.23Å; T388-C510 PolarHBondContact N-O 3.39Å; T388-L512 WeakPolarHBondContact O-CB 3.34Å; T388-L512 PolarHBondContact O-N 2.91Å
389	I	98.5	Very high	96.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	108.6	171.7	-47.6	-176.9	0	0	0	108.5	F387 L512 Y514 A517 V549 L601 I602	F387-I389 HydrophobicContact CD2-CG1 4.14Å; F387-I389 HydrophobicContact CE2-CD1 4.1Å; F387-I389 HydrophobicContact CE2-CG1 4.19Å; I389-L512 WeakPolarHBondContact CA-O 3.35Å; I389-L512 HydrophobicContact CD1-CD1 4.43Å; I389-L512 HydrophobicContact CG1-CB 4.22Å; I389-L512 HydrophobicContact CG1-CD1 4.18Å; I389-Y514 HydrophobicContact CG2-CD1 3.75Å; I389-Y514 HydrophobicContact CG2-CE1 4.01Å; I389-Y514 HydrophobicContact CG2-CG 4.32Å; I389-A517 HydrophobicContact CD1-CB 3.81Å; I389-A517 HydrophobicContact CG1-CB 4.48Å; I389-A517 HydrophobicContact CG2-CB 3.82Å; I389-V549 HydrophobicContact CD1-CG2 4.37Å; I389-L601 HydrophobicContact CD1-CD2 4.02Å; I389-I602 HydrophobicContact CB-CD1 3.76Å; I389-I602 HydrophobicContact CB-CG1 3.89Å; I389-I602 HydrophobicContact CD1-CD1 3.99Å; I389-I602 HydrophobicContact CD1-CG1 4.4Å; I389-I602 HydrophobicContact CG1-CD1 4.01Å; I389-I602 HydrophobicContact CG2-CG1 4.33Å
390	D	97.2	Very high	96.2	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.064	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	170.8	-168.6	-65.6	-87.6	0	0	0	111	T388 A394 L397 L512 S513 Y514	T388-D390 WeakPolarHBondContact CB-OD2 3.48Å; T388-D390 PolarHBondContact OG1-OD2 2.96Å; D390-A394 HydrophobicContact CB-CB 3.93Å; D390-L397 HydrophobicContact CB-CD2 3.91Å; D390-L397 WeakPolarHBondContact OD2-CD2 3.34Å; D390-L512 PolarHBondContact N-O 3.05Å; D390-S513 CarbonylContact O-C 3.57Å; D390-S513 WeakPolarHBondContact O-CA 3.2Å; D390-Y514 PolarHBondContact O-N 3.3Å
391	P	93.3	Very high	96.3	Very high	58 Å²	58	37 Å²	37	38%	0.377	19%	0.187	S	C	.	.			trans	-56.7	145	164.7	-23.2	35.4	0	0	0	111.3	T393 A394 K511 Y514	P391-T393 PolarHBondContact O-N 3.4Å; P391-T393 VanDerWaalsContact O-N 3.14Å; P391-A394 HydrophobicContact CB-CB 4.34Å; P391-A394 WeakPolarHBondContact O-CB 3.44Å; P391-A394 PolarHBondContact O-N 2.92Å; P391-K511 PolarHBondContact O-NZ 2.91Å; P391-Y514 HydrophobicContact CG-CD2 4.41Å; P391-Y514 HydrophobicContact CG-CE2 4.06Å
392	S	90.7	Very high	96.3	Very high	83 Å²	83	37 Å²	37	58%	0.58	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.7	178.7	57	0	0	0	0	112.5	A394 K511	S392-A394 PolarHBondContact O-N 3.04Å; S392-K511 PolarHBondContact O-NZ 3.4Å
393	T	88.8	Confident	96.4	Very high	120 Å²	120	33.2 Å²	33.2	74%	0.736	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.3	179.1	57.3	0	0	0	0	115.2	P391	P391-T393 PolarHBondContact O-N 3.4Å; P391-T393 VanDerWaalsContact O-N 3.14Å
394	A	92.4	Very high	96.5	Very high	17 Å²	17	28.1 Å²	28.1	14%	0.14	15%	0.151	C	C	.	.			trans	-66.5	139.5	-176	0	0	0	0	0	112.6	D390 P391 S392 L397 K511	D390-A394 HydrophobicContact CB-CB 3.93Å; P391-A394 HydrophobicContact CB-CB 4.34Å; P391-A394 WeakPolarHBondContact O-CB 3.44Å; P391-A394 PolarHBondContact O-N 2.92Å; S392-A394 PolarHBondContact O-N 3.04Å; A394-L397 HydrophobicContact CB-CD2 4.19Å; A394-K511 PolarHBondContact O-NZ 3.2Å
395	R	93.2	Very high	96.6	Very high	152 Å²	152	31.9 Å²	31.9	57%	0.574	17%	0.169	S	C	*	.			trans	-121.8	-23.4	175.9	-59.6	-175.4	-174.2	-172.4	-0.4	112.8	E470 S474	R395-E470 HydrophobicContact CB-CG 4.02Å; R395-E470 WeakPolarHBondContact CD-OE2 3.34Å; R395-E470 IonicContact NH1-OE2 3.22Å; R395-S474 PolarHBondContact O-OG 3.27Å
396	D	93.9	Very high	96.6	Very high	32 Å²	32	31.9 Å²	31.9	17%	0.171	17%	0.169	C	C	.	.			trans	-94	77.9	176.1	49.1	-35	0	0	0	110.2	D398 Y455 I774	D396-D398 PolarHBondContact O-N 3.47Å; D396-D398 VanDerWaalsContact O-N 3.15Å; D396-Y455 PolarHBondContact OD2-OH 3.37Å; D396-I774 HydrophobicContact CB-CD1 4.48Å; D396-I774 HydrophobicContact CB-CG2 3.72Å
397	L	97.7	Very high	96.5	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	19%	0.194	C	C	.	.			trans	-80.1	97.1	-178.9	-48.8	177.1	0	0	0	109.6	T388 D390 A394 S474 L475 K511	T388-L397 HydrophobicContact CG2-CB 4.48Å; T388-L397 HydrophobicContact CG2-CD1 4.35Å; D390-L397 HydrophobicContact CB-CD2 3.91Å; D390-L397 WeakPolarHBondContact OD2-CD2 3.34Å; A394-L397 HydrophobicContact CB-CD2 4.19Å; L397-S474 WeakPolarHBondContact CB-OG 3.45Å; L397-S474 WeakPolarHBondContact CG-OG 3.39Å; L397-S474 PolarHBondContact N-OG 3.12Å; L397-L475 HydrophobicContact CB-CB 4.31Å; L397-L475 WeakPolarHBondContact O-CG 3.47Å; L397-L475 PolarHBondContact O-N 3.39Å; L397-K511 HydrophobicContact CD1-CD 4.14Å; L397-K511 HydrophobicContact CD1-CG 4.29Å; L397-K511 HydrophobicContact CD2-CD 4.01Å; L397-K511 HydrophobicContact CD2-CG 4.39Å
398	D	98.5	Very high	96.4	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.027	22%	0.224	C	C	.	.			trans	-75.8	-33.3	-176.7	-88.2	-64.2	0	0	0	113.2	D396 I430 A431 S772 P773 I774 R775	D396-D398 PolarHBondContact O-N 3.47Å; D396-D398 VanDerWaalsContact O-N 3.15Å; D398-I430 CarbonylContact O-C 3.46Å; D398-I430 WeakPolarHBondContact O-CA 3.18Å; D398-A431 PolarHBondContact O-N 2.95Å; D398-S772 VanDerWaalsContact OD1-CA 3.26Å; D398-S772 WeakPolarHBondContact OD1-CA 3.45Å; D398-S772 WeakPolarHBondContact OD2-CA 3.36Å; D398-S772 VanDerWaalsContact OD2-CB 3.24Å; D398-S772 WeakPolarHBondContact OD2-CB 3.46Å; D398-P773 VanDerWaalsContact OD1-CD 3.27Å; D398-P773 WeakPolarHBondContact OD1-CD 3.18Å; D398-P773 VanDerWaalsContact OD1-N 3.15Å; D398-I774 WeakPolarHBondContact OD1-CB 3.44Å; D398-I774 WeakPolarHBondContact OD1-CG1 3.29Å; D398-I774 PolarHBondContact OD1-N 3.06Å; D398-R775 WeakPolarHBondContact OD2-CD 3.49Å; D398-R775 IonicContact OD2-NE 2.74Å; D398-R775 PolarHBondContact OD2-NE 3.29Å
399	D	98.6	Very high	96.4	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.1	-168	63.1	97.8	0	0	0	114.1	T388 H429 I430 M606	T388-D399 WeakPolarHBondContact CB-O 3.44Å; T388-D399 WeakPolarHBondContact CG2-O 3.33Å; D399-H429 CarbonylContact C-O 3.54Å; D399-H429 WeakPolarHBondContact CA-O 3.45Å; D399-I430 HydrophobicContact CB-CD1 3.5Å; D399-I430 VanDerWaalsContact CB-CD1 3.5Å; D399-M606 HydrophobicContact CB-CE 3.97Å; D399-M606 HydrophobicContact CB-SD 3.83Å; D399-M606 VanDerWaalsContact OD1-CE 3.26Å; D399-M606 WeakPolarHBondContact OD1-CE 3.31Å
400	A	98.8	Very high	96.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.2	175.3	0	0	0	0	0	110.3	V386 F387 T388 H429 L475 I506	V386-A400 HydrophobicContact CG1-CB 3.63Å; F387-A400 CarbonylContact O-C 3.54Å; F387-A400 WeakPolarHBondContact O-CA 3.37Å; T388-A400 HydrophobicContact CG2-CB 3.89Å; A400-H429 HydrophobicContact CB-CB 4.28Å; A400-H429 PolarHBondContact N-O 3.01Å; A400-H429 PolarHBondContact O-N 2.65Å; A400-L475 HydrophobicContact CB-CD1 3.79Å; A400-I506 HydrophobicContact CB-CD1 4.11Å
401	L	98.9	Very high	96.3	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.9	-179.8	-63.7	-179.7	0	0	0	111.4	V386 F387 G427 V428 L552 L601 I602 W605 M606	V386-L401 WeakPolarHBondContact CA-O 3.39Å; F387-L401 PolarHBondContact N-O 3.42Å; F387-L401 PolarHBondContact O-N 2.81Å; L401-G427 WeakPolarHBondContact CA-O 3.33Å; L401-V428 HydrophobicContact CD2-CB 4.23Å; L401-V428 HydrophobicContact CD2-CG1 4.37Å; L401-V428 HydrophobicContact CD2-CG2 3.7Å; L401-L552 HydrophobicContact CB-CD1 4.04Å; L401-L552 HydrophobicContact CD1-CD1 4.15Å; L401-L601 HydrophobicContact CD1-CD2 3.94Å; L401-I602 HydrophobicContact CD1-CD1 3.57Å; L401-I602 HydrophobicContact CG-CD1 4.39Å; L401-W605 HydrophobicContact CD1-CB 4.39Å; L401-W605 HydrophobicContact CD1-CG 4.35Å; L401-W605 HydrophobicContact CD2-CB 4.08Å; L401-W605 HydrophobicContact CD2-CG 4.44Å; L401-M606 HydrophobicContact CD2-CE 3.93Å
402	H	98.7	Very high	96.5	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.9	155.4	83.4	-88.9	0	0	0	110.2	Y384 C385 V386 E425 V426 G427 H429	Y384-H402 AromaticContact CD2-NE2 3.83Å; C385-H402 WeakPolarHBondContact O-CB 3.4Å; V386-H402 HydrophobicContact CG2-CB 4.05Å; H402-E425 IonicContact CE1-OE1 3.06Å; H402-E425 IonicContact NE2-OE1 2.6Å; H402-E425 PolarHBondContact NE2-OE1 2.98Å; H402-V426 WeakPolarHBondContact O-CA 3.08Å; H402-G427 VanDerWaalsContact CE1-CA 3.41Å; H402-G427 WeakPolarHBondContact CE1-CA 3.46Å; H402-G427 PolarHBondContact CE1-N 3.05Å; H402-G427 PolarHBondContact N-O 3.04Å; H402-G427 VanDerWaalsContact N-O 3.08Å; H402-G427 WeakPolarHBondContact ND1-CA 3.45Å; H402-G427 PolarHBondContact O-N 3.39Å; H402-H429 AromaticContact CE1-CE1 3.85Å; H402-H429 AromaticContact CE1-NE2 3.65Å; H402-H429 AromaticContact CG-NE2 3.82Å; H402-H429 AromaticContact ND1-CD2 3.99Å; H402-H429 AromaticContact ND1-CE1 3.43Å; H402-H429 PolarHBondContact ND1-CE1 2.79Å; H402-H429 AromaticContact ND1-NE2 2.8Å; H402-H429 PolarHBondContact ND1-NE2 2.94Å
403	I	98.8	Very high	96.8	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146	165.7	-175.6	162.6	0	0	0	109.1	Y424 E425 V426 N548 K551 L552 L555	I403-Y424 HydrophobicContact CD1-CD1 4.11Å; I403-Y424 HydrophobicContact CD1-CG 4.23Å; I403-Y424 HydrophobicContact CG1-CD1 4.16Å; I403-E425 WeakPolarHBondContact CA-O 3.44Å; I403-V426 HydrophobicContact CB-CG2 4.3Å; I403-V426 HydrophobicContact CD1-CG2 3.84Å; I403-V426 HydrophobicContact CG1-CG2 3.88Å; I403-N548 HydrophobicContact CG2-CB 3.69Å; I403-K551 HydrophobicContact CD1-CB 3.95Å; I403-L552 HydrophobicContact CB-CD2 3.91Å; I403-L552 HydrophobicContact CB-CG 3.96Å; I403-L552 HydrophobicContact CD1-CD2 4.21Å; I403-L552 HydrophobicContact CD1-CG 4.34Å; I403-L552 HydrophobicContact CG2-CD1 4.16Å; I403-L552 HydrophobicContact CG2-CD2 4.33Å; I403-L552 HydrophobicContact CG2-CG 3.8Å; I403-L555 HydrophobicContact CD1-CD1 3.63Å
404	R	97.9	Very high	97.2	Very high	38 Å²	38	52.3 Å²	52.3	14%	0.143	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.3	167.6	65.2	177.7	-172.1	94.6	-1.7	110.8	Y384 E410 Y424 E425	Y384-R404 PolarHBondContact OH-NE 2.77Å; R404-E410 IonicContact CZ-OE1 2.61Å; R404-E410 IonicContact CZ-OE2 3.21Å; R404-E410 IonicContact NH1-OE1 3.14Å; R404-E410 IonicContact NH1-OE2 2.76Å; R404-E410 PolarHBondContact NH1-OE2 3.38Å; R404-E410 IonicContact NH2-OE1 3.05Å; R404-E410 PolarHBondContact NH2-OE1 3.28Å; R404-E410 IonicContact NH2-OE2 3.07Å; R404-E410 PolarHBondContact NH2-OE2 3.18Å; R404-Y424 WeakPolarHBondContact O-CA 3.06Å; R404-E425 HydrophobicContact CG-CB 3.86Å; R404-E425 IonicContact CZ-OE1 3.94Å; R404-E425 IonicContact CZ-OE2 3.1Å; R404-E425 PolarHBondContact N-O 3.19Å; R404-E425 VanDerWaalsContact NE-CD 3.31Å; R404-E425 IonicContact NE-OE1 3.9Å; R404-E425 PolarHBondContact NE-OE1 2.72Å; R404-E425 IonicContact NE-OE2 2.73Å; R404-E425 VanDerWaalsContact NH2-CD 3.27Å; R404-E425 IonicContact NH2-OE1 2.98Å; R404-E425 PolarHBondContact NH2-OE1 3.14Å; R404-E425 IonicContact NH2-OE2 3.08Å; R404-E425 PolarHBondContact NH2-OE2 2.93Å; R404-E425 PolarHBondContact O-N 3.49Å
405	Q	98	Very high	97.4	Very high	115 Å²	115	56 Å²	56	54%	0.537	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	143.4	165	-169.3	169.8	-27.8	0	0	109.5	F423	Q405-F423 HydrophobicContact CG-CD1 4.28Å; Q405-F423 HydrophobicContact CG-CE1 3.85Å; Q405-F423 HydrophobicContact CG-CZ 4.26Å
406	L	98.1	Very high	97.6	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-77.2	142.8	175.2	-68.2	168.2	0	0	0	110.5	E410 I411 L414 A422 F423 E425 T489	L406-E410 HydrophobicContact CB-CB 4.41Å; L406-E410 HydrophobicContact CD2-CB 4.34Å; L406-I411 HydrophobicContact CB-CD1 4.33Å; L406-I411 HydrophobicContact CB-CG1 3.81Å; L406-L414 HydrophobicContact CD1-CD1 3.77Å; L406-A422 HydrophobicContact CD1-CB 3.96Å; L406-F423 WeakPolarHBondContact CB-O 3.43Å; L406-F423 WeakPolarHBondContact CG-O 3.27Å; L406-F423 PolarHBondContact N-O 3.35Å; L406-E425 HydrophobicContact CD2-CB 3.95Å; L406-T489 HydrophobicContact CD1-CG2 4.07Å
407	E	97.7	Very high	97.7	Very high	113 Å²	113	55.7 Å²	55.7	53%	0.528	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-71.2	151.6	174.9	-64.5	-59.5	153	0	0	111	S409 E410 I411	E407-S409 PolarHBondContact O-N 3.37Å; E407-S409 VanDerWaalsContact O-N 3.09Å; E407-E410 HydrophobicContact CB-CG 4.18Å; E407-E410 PolarHBondContact N-OE2 3.49Å; E407-E410 WeakPolarHBondContact O-CA 3.41Å; E407-E410 WeakPolarHBondContact O-CB 3.42Å; E407-E410 PolarHBondContact O-N 3.4Å; E407-I411 WeakPolarHBondContact O-CG1 3.33Å; E407-I411 PolarHBondContact O-N 3.44Å
408	P	97.4	Very high	97.6	Very high	99 Å²	99	58.3 Å²	58.3	64%	0.643	32%	0.324	S	S	*	.	H	α-helix	trans	-51.7	-37.5	179.6	-29	35.4	0	0	0	114.3	I411 E412	P408-I411 PolarHBondContact O-N 3.45Å; P408-E412 PolarHBondContact O-N 2.56Å
409	S	97.5	Very high	97.5	Very high	81 Å²	81	62.1 Å²	62.1	57%	0.566	34%	0.338	S	S	*	.	H	α-helix	trans	-71.1	-31.5	177.5	57.9	0	0	0	0	113.5	E407 K413	E407-S409 PolarHBondContact O-N 3.37Å; E407-S409 VanDerWaalsContact O-N 3.09Å; S409-K413 WeakPolarHBondContact O-CB 3.41Å; S409-K413 PolarHBondContact O-N 2.61Å
410	E	97.5	Very high	97.3	Very high	59 Å²	59	70.6 Å²	70.6	28%	0.276	37%	0.369	S	S	.	.	H	α-helix	trans	-70.8	-40.3	173.5	-64.2	179.2	117.1	0	0	110.7	R404 L406 E407 K413 L414	R404-E410 IonicContact CZ-OE1 2.61Å; R404-E410 IonicContact CZ-OE2 3.21Å; R404-E410 IonicContact NH1-OE1 3.14Å; R404-E410 IonicContact NH1-OE2 2.76Å; R404-E410 PolarHBondContact NH1-OE2 3.38Å; R404-E410 IonicContact NH2-OE1 3.05Å; R404-E410 PolarHBondContact NH2-OE1 3.28Å; R404-E410 IonicContact NH2-OE2 3.07Å; R404-E410 PolarHBondContact NH2-OE2 3.18Å; L406-E410 HydrophobicContact CB-CB 4.41Å; L406-E410 HydrophobicContact CD2-CB 4.34Å; E407-E410 HydrophobicContact CB-CG 4.18Å; E407-E410 PolarHBondContact N-OE2 3.49Å; E407-E410 WeakPolarHBondContact O-CA 3.41Å; E407-E410 WeakPolarHBondContact O-CB 3.42Å; E407-E410 PolarHBondContact O-N 3.4Å; E410-K413 PolarHBondContact O-N 3.07Å; E410-L414 WeakPolarHBondContact O-CB 3.47Å; E410-L414 WeakPolarHBondContact O-CG 3.24Å; E410-L414 PolarHBondContact O-N 3.21Å
411	I	97.1	Very high	97.2	Very high	37 Å²	37	76.3 Å²	76.3	19%	0.19	40%	0.4	C	S	.	.	H	α-helix	trans	-60.5	-51.9	174.9	-62.9	173.4	0	0	0	109.9	L406 E407 P408 K413 L414 E415	L406-I411 HydrophobicContact CB-CD1 4.33Å; L406-I411 HydrophobicContact CB-CG1 3.81Å; E407-I411 WeakPolarHBondContact O-CG1 3.33Å; E407-I411 PolarHBondContact O-N 3.44Å; P408-I411 PolarHBondContact O-N 3.45Å; I411-K413 VanDerWaalsContact C-N 3.27Å; I411-K413 PolarHBondContact O-N 3.35Å; I411-L414 PolarHBondContact O-N 3.4Å; I411-L414 VanDerWaalsContact O-N 3.08Å; I411-E415 HydrophobicContact CG2-CG 4.22Å; I411-E415 WeakPolarHBondContact O-CB 3.45Å; I411-E415 WeakPolarHBondContact O-CG 3.21Å; I411-E415 PolarHBondContact O-N 2.85Å
412	E	96.9	Very high	97.1	Very high	131 Å²	131	76.3 Å²	76.3	61%	0.612	40%	0.4	S	S	*	.	H	α-helix	trans	-56.4	-41.2	178.9	-175.7	179.8	-170.8	0	0	112.1	P408 S416	P408-E412 PolarHBondContact O-N 2.56Å; E412-S416 WeakPolarHBondContact O-CB 3.42Å; E412-S416 PolarHBondContact O-N 2.68Å; E412-S416 PolarHBondContact O-OG 3.1Å
413	K	97.4	Very high	97.1	Very high	156 Å²	156	78.4 Å²	78.4	68%	0.678	41%	0.409	S	S	*	.	H	α-helix	trans	-65.7	-42.4	176.5	-176.6	-179.8	178.9	-179.8	0	112.4	S409 E410 I411 S416 S417	S409-K413 WeakPolarHBondContact O-CB 3.41Å; S409-K413 PolarHBondContact O-N 2.61Å; E410-K413 PolarHBondContact O-N 3.07Å; I411-K413 VanDerWaalsContact C-N 3.27Å; I411-K413 PolarHBondContact O-N 3.35Å; K413-S416 PolarHBondContact O-N 3.21Å; K413-S417 PolarHBondContact O-N 3.2Å; K413-S417 VanDerWaalsContact O-N 3.1Å; K413-S417 PolarHBondContact O-OG 3.38Å
414	L	97.1	Very high	97.1	Very high	30 Å²	30	79 Å²	79	16%	0.157	41%	0.412	C	S	.	.	H	α-helix	trans	-67.8	-41.5	177.6	-77	164.6	0	0	0	111.5	L406 E410 I411 S417 G418 Y419 A422 T489 T498	L406-L414 HydrophobicContact CD1-CD1 3.77Å; E410-L414 WeakPolarHBondContact O-CB 3.47Å; E410-L414 WeakPolarHBondContact O-CG 3.24Å; E410-L414 PolarHBondContact O-N 3.21Å; I411-L414 PolarHBondContact O-N 3.4Å; I411-L414 VanDerWaalsContact O-N 3.08Å; L414-S417 CarbonylContact O-C 3.59Å; L414-S417 WeakPolarHBondContact O-CA 3.44Å; L414-S417 WeakPolarHBondContact O-CB 3.43Å; L414-S417 PolarHBondContact O-N 3.14Å; L414-S417 VanDerWaalsContact O-N 3.08Å; L414-G418 PolarHBondContact O-N 2.81Å; L414-Y419 HydrophobicContact CD2-CD2 3.96Å; L414-Y419 WeakPolarHBondContact O-CB 3.32Å; L414-Y419 PolarHBondContact O-N 3.22Å; L414-A422 HydrophobicContact CB-CB 4.08Å; L414-A422 HydrophobicContact CD1-CB 3.77Å; L414-T489 HydrophobicContact CD1-CG2 3.83Å; L414-T489 HydrophobicContact CD2-CG2 4.49Å; L414-T498 HydrophobicContact CD2-CG2 4.5Å
415	E	96	Very high	97.1	Very high	93 Å²	93	77.9 Å²	77.9	44%	0.435	41%	0.408	S	S	.	.	H	α-helix	trans	-61	-44.3	174.1	-73	-167	154.8	0	0	111.8	I411 S417 G418	I411-E415 HydrophobicContact CG2-CG 4.22Å; I411-E415 WeakPolarHBondContact O-CB 3.45Å; I411-E415 WeakPolarHBondContact O-CG 3.21Å; I411-E415 PolarHBondContact O-N 2.85Å; E415-S417 PolarHBondContact O-N 3.32Å; E415-G418 PolarHBondContact O-N 3.18Å
416	S	96.7	Very high	97.2	Very high	101 Å²	101	72.4 Å²	72.4	71%	0.706	38%	0.382	S	S	*	.	H	α-helix	trans	-62	-27.7	174.8	-61.2	0	0	0	0	112.5	E412 K413 G418	E412-S416 WeakPolarHBondContact O-CB 3.42Å; E412-S416 PolarHBondContact O-N 2.68Å; E412-S416 PolarHBondContact O-OG 3.1Å; K413-S416 PolarHBondContact O-N 3.21Å; S416-G418 VanDerWaalsContact C-N 3.3Å
417	S	96.3	Very high	97.2	Very high	77 Å²	77	72.1 Å²	72.1	54%	0.538	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	1.1	174.8	-54.7	0	0	0	0	113.5	K413 L414 E415	K413-S417 PolarHBondContact O-N 3.2Å; K413-S417 VanDerWaalsContact O-N 3.1Å; K413-S417 PolarHBondContact O-OG 3.38Å; L414-S417 CarbonylContact O-C 3.59Å; L414-S417 WeakPolarHBondContact O-CA 3.44Å; L414-S417 WeakPolarHBondContact O-CB 3.43Å; L414-S417 PolarHBondContact O-N 3.14Å; L414-S417 VanDerWaalsContact O-N 3.08Å; E415-S417 PolarHBondContact O-N 3.32Å
418	G	96.6	Very high	97.3	Very high	58 Å²	58	66.7 Å²	66.7	60%	0.598	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.8	1.7	178.1	0	0	0	0	0	115.5	L414 E415 S416 R420	L414-G418 PolarHBondContact O-N 2.81Å; E415-G418 PolarHBondContact O-N 3.18Å; S416-G418 VanDerWaalsContact C-N 3.3Å; G418-R420 PolarHBondContact O-N 3.48Å
419	Y	96.2	Very high	97.3	Very high	86 Å²	86	62 Å²	62	34%	0.337	33%	0.325	S	S	.	.			trans	-96.1	79.4	-179.8	-56	-68	0	0	0	111.2	L414 L497 T498	L414-Y419 HydrophobicContact CD2-CD2 3.96Å; L414-Y419 WeakPolarHBondContact O-CB 3.32Å; L414-Y419 PolarHBondContact O-N 3.22Å; Y419-L497 HydrophobicContact CD1-CB 4.17Å; Y419-L497 WeakPolarHBondContact CE1-O 3.35Å; Y419-T498 HydrophobicContact CD2-CG2 4.48Å; Y419-T498 HydrophobicContact CE1-CG2 4.49Å; Y419-T498 HydrophobicContact CE2-CG2 4.36Å
420	R	94.7	Very high	97.4	Very high	190 Å²	190	58.1 Å²	58.1	72%	0.717	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	150.5	178.3	-61.4	-177.2	-178	-177.5	-1	112.3	G418 A422 L497	G418-R420 PolarHBondContact O-N 3.48Å; R420-A422 PolarHBondContact O-N 3.23Å; R420-L497 WeakPolarHBondContact O-CD1 3.26Å
421	N	96	Very high	97.5	Very high	120 Å²	120	55.3 Å²	55.3	64%	0.642	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	22.7	178.7	-49.6	-25.3	0	0	0	114.3	F423 T491	N421-F423 PolarHBondContact O-N 3.23Å; N421-T491 HydrophobicContact CB-CG2 4.14Å; N421-T491 WeakPolarHBondContact O-CA 3.44Å; N421-T491 WeakPolarHBondContact O-CG2 3.43Å
422	A	97.3	Very high	97.5	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.025	28%	0.276	C	S	.	.			trans	-61.7	130.6	171.4	0	0	0	0	0	109.8	L406 L414 R420 T489 L497	L406-A422 HydrophobicContact CD1-CB 3.96Å; L414-A422 HydrophobicContact CB-CB 4.08Å; L414-A422 HydrophobicContact CD1-CB 3.77Å; R420-A422 PolarHBondContact O-N 3.23Å; A422-T489 HydrophobicContact CB-CG2 3.64Å; A422-L497 HydrophobicContact CB-CD1 3.81Å
423	F	98.1	Very high	97.5	Very high	45 Å²	45	47.3 Å²	47.3	20%	0.197	25%	0.247	C	C	.	.			trans	-137	-49.4	-174.3	-161.1	-84.4	0	0	0	113.6	Q405 L406 N421 V490 E492	Q405-F423 HydrophobicContact CG-CD1 4.28Å; Q405-F423 HydrophobicContact CG-CE1 3.85Å; Q405-F423 HydrophobicContact CG-CZ 4.26Å; L406-F423 WeakPolarHBondContact CB-O 3.43Å; L406-F423 WeakPolarHBondContact CG-O 3.27Å; L406-F423 PolarHBondContact N-O 3.35Å; N421-F423 PolarHBondContact O-N 3.23Å; F423-V490 PolarHBondContact N-O 3.35Å; F423-E492 HydrophobicContact CB-CG 3.87Å; F423-E492 HydrophobicContact CD1-CG 3.69Å; F423-E492 HydrophobicContact CD2-CG 3.6Å; F423-E492 HydrophobicContact CE1-CG 4.09Å; F423-E492 HydrophobicContact CE2-CG 4Å; F423-E492 VanDerWaalsContact CE2-OE1 3.27Å; F423-E492 WeakPolarHBondContact CE2-OE1 3.3Å; F423-E492 HydrophobicContact CG-CG 3.42Å; F423-E492 VanDerWaalsContact CG-CG 3.42Å; F423-E492 HydrophobicContact CZ-CG 4.22Å; F423-E492 WeakPolarHBondContact CZ-OE1 3.2Å
424	Y	98.6	Very high	97.5	Very high	21 Å²	21	39.9 Å²	39.9	8%	0.082	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.6	-179.4	-66	-66.1	0	0	0	111.6	I403 R404 T489 V490 E492 L555	I403-Y424 HydrophobicContact CD1-CD1 4.11Å; I403-Y424 HydrophobicContact CD1-CG 4.23Å; I403-Y424 HydrophobicContact CG1-CD1 4.16Å; R404-Y424 WeakPolarHBondContact O-CA 3.06Å; Y424-T489 WeakPolarHBondContact O-CA 3.29Å; Y424-V490 PolarHBondContact N-O 2.95Å; Y424-V490 PolarHBondContact O-N 2.71Å; Y424-E492 HydrophobicContact CE2-CG 4.37Å; Y424-L555 HydrophobicContact CD2-CD1 3.88Å; Y424-L555 HydrophobicContact CD2-CD2 4.2Å; Y424-L555 HydrophobicContact CE2-CD1 4.47Å; Y424-L555 HydrophobicContact CE2-CD2 4.37Å; Y424-L555 HydrophobicContact CG-CD1 4.26Å
425	E	98.7	Very high	97.4	Very high	14 Å²	14	38.6 Å²	38.6	7%	0.065	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.2	158.1	-179	176.3	95.5	0	0	108	H402 I403 R404 L406 V487 F488	H402-E425 IonicContact CE1-OE1 3.06Å; H402-E425 IonicContact NE2-OE1 2.6Å; H402-E425 PolarHBondContact NE2-OE1 2.98Å; I403-E425 WeakPolarHBondContact CA-O 3.44Å; R404-E425 HydrophobicContact CG-CB 3.86Å; R404-E425 IonicContact CZ-OE1 3.94Å; R404-E425 IonicContact CZ-OE2 3.1Å; R404-E425 PolarHBondContact N-O 3.19Å; R404-E425 VanDerWaalsContact NE-CD 3.31Å; R404-E425 IonicContact NE-OE1 3.9Å; R404-E425 PolarHBondContact NE-OE1 2.72Å; R404-E425 IonicContact NE-OE2 2.73Å; R404-E425 VanDerWaalsContact NH2-CD 3.27Å; R404-E425 IonicContact NH2-OE1 2.98Å; R404-E425 PolarHBondContact NH2-OE1 3.14Å; R404-E425 IonicContact NH2-OE2 3.08Å; R404-E425 PolarHBondContact NH2-OE2 2.93Å; R404-E425 PolarHBondContact O-N 3.49Å; L406-E425 HydrophobicContact CD2-CB 3.95Å; E425-V487 HydrophobicContact CG-CG1 3.51Å; E425-F488 CarbonylContact C-O 3.57Å; E425-F488 WeakPolarHBondContact CA-O 3.35Å
426	V	98.9	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.4	174.3	179	0	0	0	0	109	H402 I403 V487 F488 V490 L552 L555 W605	H402-V426 WeakPolarHBondContact O-CA 3.08Å; I403-V426 HydrophobicContact CB-CG2 4.3Å; I403-V426 HydrophobicContact CD1-CG2 3.84Å; I403-V426 HydrophobicContact CG1-CG2 3.88Å; V426-V487 WeakPolarHBondContact O-CA 3.31Å; V426-F488 PolarHBondContact N-O 3.32Å; V426-F488 PolarHBondContact O-N 3.01Å; V426-V490 HydrophobicContact CG2-CG2 4.33Å; V426-L552 HydrophobicContact CG1-CD2 3.7Å; V426-L552 HydrophobicContact CG2-CD2 4.31Å; V426-L555 HydrophobicContact CG2-CD1 4.28Å; V426-W605 HydrophobicContact CB-CH2 3.87Å; V426-W605 HydrophobicContact CB-CZ2 4.37Å; V426-W605 HydrophobicContact CB-CZ3 3.93Å; V426-W605 HydrophobicContact CG1-CD2 3.93Å; V426-W605 HydrophobicContact CG1-CE3 3.73Å; V426-W605 HydrophobicContact CG1-CH2 3.73Å; V426-W605 HydrophobicContact CG1-CZ2 3.89Å; V426-W605 HydrophobicContact CG1-CZ3 3.63Å; V426-W605 HydrophobicContact CG2-CH2 3.65Å; V426-W605 HydrophobicContact CG2-CZ2 3.96Å; V426-W605 HydrophobicContact CG2-CZ3 4.24Å
427	G	98.9	Very high	97.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132	174.6	0	0	0	0	0	111.9	L401 H402	L401-G427 WeakPolarHBondContact CA-O 3.33Å; H402-G427 VanDerWaalsContact CE1-CA 3.41Å; H402-G427 WeakPolarHBondContact CE1-CA 3.46Å; H402-G427 PolarHBondContact CE1-N 3.05Å; H402-G427 PolarHBondContact N-O 3.04Å; H402-G427 VanDerWaalsContact N-O 3.08Å; H402-G427 WeakPolarHBondContact ND1-CA 3.45Å; H402-G427 PolarHBondContact O-N 3.39Å
428	V	98.9	Very high	97.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	109.4	165.1	180	0	0	0	0	107.5	L401 I430 S485 V486 F488 W605 M606 A609	L401-V428 HydrophobicContact CD2-CB 4.23Å; L401-V428 HydrophobicContact CD2-CG1 4.37Å; L401-V428 HydrophobicContact CD2-CG2 3.7Å; V428-I430 HydrophobicContact CG1-CD1 3.72Å; V428-I430 HydrophobicContact CG1-CG1 4.33Å; V428-S485 CarbonylContact O-C 3.6Å; V428-S485 VanDerWaalsContact O-CA 3.23Å; V428-S485 WeakPolarHBondContact O-CA 3.33Å; V428-V486 PolarHBondContact N-O 2.78Å; V428-V486 PolarHBondContact O-N 2.7Å; V428-F488 HydrophobicContact CG2-CD2 4.36Å; V428-F488 HydrophobicContact CG2-CE2 3.8Å; V428-W605 HydrophobicContact CG2-CB 4.15Å; V428-M606 HydrophobicContact CG1-CE 3.63Å; V428-M606 HydrophobicContact CG1-SD 4.11Å; V428-A609 HydrophobicContact CB-CB 4.29Å; V428-A609 HydrophobicContact CG1-CB 3.93Å; V428-A609 HydrophobicContact CG2-CB 4.48Å
429	H	98.9	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.1	-174.5	-51.5	-66.7	0	0	0	109.9	F381 D399 A400 H402 L475 A483 S485 I506	F381-H429 AromaticContact CD2-CE1 3.41Å; F381-H429 VanDerWaalsContact CD2-CE1 3.41Å; F381-H429 WeakPolarHBondContact CD2-CE1 3.38Å; F381-H429 AromaticContact CD2-ND1 3.97Å; F381-H429 AromaticContact CE2-CE1 3.84Å; D399-H429 CarbonylContact C-O 3.54Å; D399-H429 WeakPolarHBondContact CA-O 3.45Å; A400-H429 HydrophobicContact CB-CB 4.28Å; A400-H429 PolarHBondContact N-O 3.01Å; A400-H429 PolarHBondContact O-N 2.65Å; H402-H429 AromaticContact CE1-CE1 3.85Å; H402-H429 AromaticContact CE1-NE2 3.65Å; H402-H429 AromaticContact CG-NE2 3.82Å; H402-H429 AromaticContact ND1-CD2 3.99Å; H402-H429 AromaticContact ND1-CE1 3.43Å; H402-H429 PolarHBondContact ND1-CE1 2.79Å; H402-H429 AromaticContact ND1-NE2 2.8Å; H402-H429 PolarHBondContact ND1-NE2 2.94Å; H429-L475 WeakPolarHBondContact O-CD1 3.45Å; H429-A483 HydrophobicContact CB-CB 4.06Å; H429-S485 PolarHBondContact ND1-OG 2.79Å; H429-I506 HydrophobicContact CB-CD1 3.88Å; H429-I506 HydrophobicContact CB-CG2 4.3Å
430	I	98.9	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.3	-177.2	-52.1	-54.4	0	0	0	110.1	D398 D399 V428 D432 A483 F484 M606 F770 T771 P773	D398-I430 CarbonylContact O-C 3.46Å; D398-I430 WeakPolarHBondContact O-CA 3.18Å; D399-I430 HydrophobicContact CB-CD1 3.5Å; D399-I430 VanDerWaalsContact CB-CD1 3.5Å; V428-I430 HydrophobicContact CG1-CD1 3.72Å; V428-I430 HydrophobicContact CG1-CG1 4.33Å; I430-D432 PolarHBondContact O-N 3.16Å; I430-A483 CarbonylContact O-C 3.38Å; I430-A483 WeakPolarHBondContact O-CA 3.39Å; I430-A483 VanDerWaalsContact O-CB 3.29Å; I430-A483 WeakPolarHBondContact O-CB 3.19Å; I430-F484 WeakPolarHBondContact CB-O 3.29Å; I430-F484 PolarHBondContact N-O 3.41Å; I430-F484 VanDerWaalsContact N-O 3.08Å; I430-F484 PolarHBondContact O-N 2.83Å; I430-M606 HydrophobicContact CD1-SD 4.21Å; I430-F770 HydrophobicContact CB-CE1 4.07Å; I430-F770 HydrophobicContact CB-CZ 4.48Å; I430-F770 HydrophobicContact CG1-CD1 3.84Å; I430-F770 HydrophobicContact CG1-CE1 3.44Å; I430-F770 VanDerWaalsContact CG1-CE1 3.44Å; I430-F770 HydrophobicContact CG1-CZ 4.3Å; I430-F770 WeakPolarHBondContact CG2-O 3.37Å; I430-T771 HydrophobicContact CD1-CG2 3.83Å; I430-T771 HydrophobicContact CG1-CG2 4.27Å; I430-P773 HydrophobicContact CG2-CG 3.77Å
431	A	98.6	Very high	97.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.1	126.1	175.1	0	0	0	0	0	112.3	D398 V433 C473 L475 P773 I774 H783	D398-A431 PolarHBondContact O-N 2.95Å; A431-V433 HydrophobicContact CB-CG2 4.27Å; A431-V433 PolarHBondContact O-N 3.41Å; A431-C473 HydrophobicContact CB-CB 4.35Å; A431-C473 WeakPolarHBondContact CB-O 3.34Å; A431-L475 HydrophobicContact CB-CD2 4.4Å; A431-L475 HydrophobicContact CB-CG 4.41Å; A431-P773 VanDerWaalsContact O-CG 3.24Å; A431-P773 WeakPolarHBondContact O-CG 3.27Å; A431-I774 HydrophobicContact CB-CD1 3.91Å; A431-I774 HydrophobicContact CB-CG1 4.03Å; A431-H783 PolarHBondContact O-CE1 3.17Å
432	D	97.4	Very high	97.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.			trans	-82.7	55.8	-175.7	-162.6	1.9	0	0	0	112.4	R378 I430 S434 Y435 L482 R503	R378-D432 IonicContact CZ-OD2 3.03Å; R378-D432 VanDerWaalsContact CZ-OD2 3.23Å; R378-D432 IonicContact NH1-OD2 2.73Å; R378-D432 PolarHBondContact NH1-OD2 3.47Å; R378-D432 IonicContact NH2-OD2 3.32Å; R378-D432 PolarHBondContact NH2-OD2 3.3Å; I430-D432 PolarHBondContact O-N 3.16Å; D432-S434 PolarHBondContact O-N 3.24Å; D432-S434 PolarHBondContact OD1-OG 3.31Å; D432-Y435 VanDerWaalsContact CG-CB 3.49Å; D432-Y435 WeakPolarHBondContact O-CB 3.48Å; D432-Y435 PolarHBondContact O-N 3Å; D432-L482 HydrophobicContact CB-CB 4.09Å; D432-L482 WeakPolarHBondContact CB-O 3.27Å; D432-L482 PolarHBondContact N-O 3.06Å; D432-L482 VanDerWaalsContact N-O 3.13Å; D432-R503 IonicContact OD1-CZ 3.49Å; D432-R503 IonicContact OD1-NE 3.46Å; D432-R503 PolarHBondContact OD1-NE 3.22Å; D432-R503 VanDerWaalsContact OD1-NE 3.1Å; D432-R503 IonicContact OD1-NH2 3Å; D432-R503 PolarHBondContact OD1-NH2 2.96Å; D432-R503 VanDerWaalsContact OD2-CD 3.27Å; D432-R503 WeakPolarHBondContact OD2-CD 3.35Å; D432-R503 IonicContact OD2-CZ 2.66Å; D432-R503 IonicContact OD2-NE 3.08Å; D432-R503 PolarHBondContact OD2-NE 3.24Å
433	V	97.8	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.5	-37.8	-178.3	173.6	0	0	0	0	111.5	A431 Y435 F436 V437 L464 C473 P773 I774 V780	A431-V433 HydrophobicContact CB-CG2 4.27Å; A431-V433 PolarHBondContact O-N 3.41Å; V433-Y435 PolarHBondContact O-N 3Å; V433-Y435 VanDerWaalsContact O-N 3.12Å; V433-F436 PolarHBondContact O-N 3.46Å; V433-F436 VanDerWaalsContact O-N 3.14Å; V433-V437 HydrophobicContact CG1-CB 4.34Å; V433-V437 HydrophobicContact CG1-CG2 3.82Å; V433-V437 WeakPolarHBondContact O-CB 3.5Å; V433-V437 PolarHBondContact O-N 3.41Å; V433-L464 HydrophobicContact CG1-CD1 3.61Å; V433-C473 HydrophobicContact CG2-CB 3.86Å; V433-P773 HydrophobicContact CB-CB 3.92Å; V433-P773 HydrophobicContact CB-CG 4.16Å; V433-P773 HydrophobicContact CG2-CB 3.92Å; V433-P773 HydrophobicContact CG2-CG 3.78Å; V433-I774 HydrophobicContact CG2-CG1 3.72Å; V433-V780 HydrophobicContact CG1-CG2 3.91Å
434	S	96.7	Very high	97.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-19	179.5	70.6	0	0	0	0	114.2	D432 R503	D432-S434 PolarHBondContact O-N 3.24Å; D432-S434 PolarHBondContact OD1-OG 3.31Å; S434-R503 PolarHBondContact OG-NH2 2.65Å
435	Y	95.3	Very high	97	Very high	3 Å²	3	20.7 Å²	20.7	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-78.9	-36.9	176.5	-177.2	-100.8	0	0	0	112.5	V367 D374 R378 D432 V433 K438 L482 W802 T806	V367-Y435 HydrophobicContact CB-CE1 4.14Å; V367-Y435 HydrophobicContact CG1-CD1 4.19Å; V367-Y435 HydrophobicContact CG1-CE1 3.57Å; V367-Y435 HydrophobicContact CG2-CD1 3.98Å; V367-Y435 HydrophobicContact CG2-CE1 3.57Å; D374-Y435 PolarHBondContact OD2-OH 2.98Å; R378-Y435 VanDerWaalsContact NH2-CD2 3.33Å; R378-Y435 VanDerWaalsContact NH2-CG 3.33Å; D432-Y435 VanDerWaalsContact CG-CB 3.49Å; D432-Y435 WeakPolarHBondContact O-CB 3.48Å; D432-Y435 PolarHBondContact O-N 3Å; V433-Y435 PolarHBondContact O-N 3Å; V433-Y435 VanDerWaalsContact O-N 3.12Å; Y435-K438 VanDerWaalsContact O-CE 3.23Å; Y435-K438 WeakPolarHBondContact O-CE 3.41Å; Y435-L482 HydrophobicContact CD1-CD1 3.53Å; Y435-L482 HydrophobicContact CE1-CD1 3.54Å; Y435-W802 HydrophobicContact CE2-CZ2 4.4Å; Y435-T806 HydrophobicContact CD2-CG2 3.91Å
436	F	95.7	Very high	96.9	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.022	11%	0.109	C	C	.	.	H	α-helix	trans	-83.2	-38.1	174	-61.2	-89.8	0	0	0	112.3	S363 V364 V367 V433 K438 L468 Q472 L482	S363-F436 PolarHBondContact OG-O 3.38Å; V364-F436 HydrophobicContact CG2-CD1 4.37Å; V367-F436 HydrophobicContact CB-CD1 4.2Å; V367-F436 HydrophobicContact CB-CE1 4.04Å; V367-F436 HydrophobicContact CG1-CD1 4.05Å; V367-F436 HydrophobicContact CG1-CE1 3.44Å; V367-F436 VanDerWaalsContact CG1-CE1 3.44Å; V367-F436 HydrophobicContact CG1-CZ 3.99Å; V367-F436 HydrophobicContact CG2-CD1 4.03Å; V367-F436 HydrophobicContact CG2-CE1 4.3Å; V433-F436 PolarHBondContact O-N 3.46Å; V433-F436 VanDerWaalsContact O-N 3.14Å; F436-K438 PolarHBondContact O-N 2.96Å; F436-L468 HydrophobicContact CB-CD2 3.89Å; F436-L468 HydrophobicContact CD1-CD2 4.41Å; F436-L468 HydrophobicContact CG-CD2 4.28Å; F436-Q472 HydrophobicContact CD1-CB 4.49Å; F436-Q472 HydrophobicContact CE1-CB 4.07Å; F436-Q472 HydrophobicContact CZ-CB 4.24Å; F436-L482 HydrophobicContact CE2-CD1 4.12Å; F436-L482 HydrophobicContact CZ-CD1 3.93Å
437	V	96	Very high	96.8	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.11	C	C	.	.	S	Bend	trans	-93.7	82.5	-179	-177.2	0	0	0	0	108.9	V433 V443 D444 L464 L468 R784	V433-V437 HydrophobicContact CG1-CB 4.34Å; V433-V437 HydrophobicContact CG1-CG2 3.82Å; V433-V437 WeakPolarHBondContact O-CB 3.5Å; V433-V437 PolarHBondContact O-N 3.41Å; V437-V443 HydrophobicContact CG1-CG1 4.22Å; V437-V443 HydrophobicContact CG2-CG1 4.45Å; V437-V443 HydrophobicContact CG2-CG2 4.44Å; V437-D444 HydrophobicContact CG1-CB 3.84Å; V437-L464 HydrophobicContact CG2-CD2 4.1Å; V437-L468 HydrophobicContact CG2-CD1 3.78Å; V437-R784 PolarHBondContact O-NH2 3.47Å
438	K	94.7	Very high	96.7	Very high	60 Å²	60	22.6 Å²	22.6	26%	0.261	12%	0.115	S	C	.	.			trans	-66.6	142.5	179.7	-62.1	-61.9	-168.8	173.6	0	111.6	Y435 F436 S441 D444 S805 T806	Y435-K438 VanDerWaalsContact O-CE 3.23Å; Y435-K438 WeakPolarHBondContact O-CE 3.41Å; F436-K438 PolarHBondContact O-N 2.96Å; K438-S441 VanDerWaalsContact O-CB 3.24Å; K438-S441 WeakPolarHBondContact O-CB 3.48Å; K438-S441 PolarHBondContact O-N 3.27Å; K438-S441 PolarHBondContact O-OG 3.41Å; K438-D444 VanDerWaalsContact O-CB 3.27Å; K438-D444 WeakPolarHBondContact O-CB 3.44Å; K438-S805 PolarHBondContact NZ-O 2.81Å; K438-S805 VanDerWaalsContact NZ-O 3.1Å; K438-T806 HydrophobicContact CD-CG2 4.44Å; K438-T806 VanDerWaalsContact NZ-CG2 3.34Å
439	P	94.2	Very high	96.5	Very high	19 Å²	19	25.8 Å²	25.8	12%	0.123	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	140.1	178.5	-21.7	29.9	0	0	0	112.6	S441 D444 A807 F808	P439-S441 PolarHBondContact O-N 3.29Å; P439-S441 VanDerWaalsContact O-N 3.13Å; P439-D444 WeakPolarHBondContact CA-OD2 3.43Å; P439-A807 WeakPolarHBondContact CG-O 3.46Å; P439-F808 HydrophobicContact CB-CD1 3.94Å; P439-F808 HydrophobicContact CB-CE1 4.35Å; P439-F808 HydrophobicContact CG-CD1 4.39Å
440	N	93.5	Very high	96.3	Very high	104 Å²	104	26.8 Å²	26.8	56%	0.556	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	3.1	-179.7	-53.9	-56.6	0	0	0	116	D444 K445	N440-D444 PolarHBondContact N-OD2 3.49Å; N440-K445 VanDerWaalsContact O-CE 3.31Å; N440-K445 WeakPolarHBondContact O-CE 3.44Å
441	S	95.4	Very high	96.3	Very high	27 Å²	27	27 Å²	27	19%	0.189	14%	0.143	C	C	.	.	S	Bend	trans	-64	165.8	170.4	67.7	0	0	0	0	111.6	K438 P439 V443 D444 K445	K438-S441 VanDerWaalsContact O-CB 3.24Å; K438-S441 WeakPolarHBondContact O-CB 3.48Å; K438-S441 PolarHBondContact O-N 3.27Å; K438-S441 PolarHBondContact O-OG 3.41Å; P439-S441 PolarHBondContact O-N 3.29Å; P439-S441 VanDerWaalsContact O-N 3.13Å; S441-V443 VanDerWaalsContact C-N 3.34Å; S441-V443 PolarHBondContact O-N 2.9Å; S441-V443 WeakPolarHBondContact OG-CG1 3.4Å; S441-D444 WeakPolarHBondContact O-CB 3.4Å; S441-D444 PolarHBondContact O-N 2.75Å; S441-D444 VanDerWaalsContact OG-CB 3.24Å; S441-D444 WeakPolarHBondContact OG-CB 3.34Å; S441-D444 PolarHBondContact OG-N 2.78Å; S441-K445 WeakPolarHBondContact O-CG 3.34Å; S441-K445 PolarHBondContact O-N 3.25Å
442	L	97.4	Very high	96.2	Very high	69 Å²	69	27.6 Å²	27.6	36%	0.361	15%	0.147	S	C	.	.	H	α-helix	trans	-63.5	-41.6	179.3	-65.9	-179.5	0	0	0	111.9	I355 V356 D444 K445 E446	I355-L442 HydrophobicContact CB-CD1 4.05Å; I355-L442 HydrophobicContact CD1-CD1 4.23Å; I355-L442 HydrophobicContact CG1-CD1 4.2Å; I355-L442 WeakPolarHBondContact O-CD1 3.34Å; V356-L442 HydrophobicContact CG2-CB 4.1Å; L442-D444 VanDerWaalsContact C-N 3.34Å; L442-K445 PolarHBondContact O-N 3.25Å; L442-E446 WeakPolarHBondContact O-CB 3.46Å; L442-E446 PolarHBondContact O-N 3.23Å
443	V	97.1	Very high	96.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-33.4	175.3	60.8	0	0	0	0	112.4	V356 V360 V437 S441 E446 A447 L464 L468	V356-V443 HydrophobicContact CG1-CB 3.94Å; V356-V443 HydrophobicContact CG1-CG2 4.29Å; V360-V443 HydrophobicContact CG2-CB 3.64Å; V360-V443 HydrophobicContact CG2-CG1 3.99Å; V360-V443 HydrophobicContact CG2-CG2 3.64Å; V437-V443 HydrophobicContact CG1-CG1 4.22Å; V437-V443 HydrophobicContact CG2-CG1 4.45Å; V437-V443 HydrophobicContact CG2-CG2 4.44Å; S441-V443 VanDerWaalsContact C-N 3.34Å; S441-V443 PolarHBondContact O-N 2.9Å; S441-V443 WeakPolarHBondContact OG-CG1 3.4Å; V443-E446 PolarHBondContact O-N 2.85Å; V443-A447 VanDerWaalsContact O-CB 3.25Å; V443-A447 WeakPolarHBondContact O-CB 3.09Å; V443-A447 PolarHBondContact O-N 2.97Å; V443-L464 HydrophobicContact CG2-CD2 4.16Å; V443-L468 HydrophobicContact CG2-CD1 3.9Å
444	D	97.3	Very high	96.2	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.027	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-46.5	174.3	-179.3	55	0	0	0	112.2	V437 K438 P439 N440 S441 L442 E446 A447 A448 Y777 R784	V437-D444 HydrophobicContact CG1-CB 3.84Å; K438-D444 VanDerWaalsContact O-CB 3.27Å; K438-D444 WeakPolarHBondContact O-CB 3.44Å; P439-D444 WeakPolarHBondContact CA-OD2 3.43Å; N440-D444 PolarHBondContact N-OD2 3.49Å; S441-D444 WeakPolarHBondContact O-CB 3.4Å; S441-D444 PolarHBondContact O-N 2.75Å; S441-D444 VanDerWaalsContact OG-CB 3.24Å; S441-D444 WeakPolarHBondContact OG-CB 3.34Å; S441-D444 PolarHBondContact OG-N 2.78Å; L442-D444 VanDerWaalsContact C-N 3.34Å; D444-E446 VanDerWaalsContact C-N 3.3Å; D444-E446 PolarHBondContact O-N 3.34Å; D444-A447 PolarHBondContact O-N 3.06Å; D444-A448 WeakPolarHBondContact O-CB 3.44Å; D444-A448 PolarHBondContact O-N 2.95Å; D444-Y777 VanDerWaalsContact OD1-CE2 3.23Å; D444-Y777 WeakPolarHBondContact OD1-CE2 3.47Å; D444-Y777 PolarHBondContact OD1-OH 2.78Å; D444-R784 VanDerWaalsContact CG-NH2 3.33Å; D444-R784 IonicContact OD1-CZ 3.66Å; D444-R784 IonicContact OD1-NH1 2.74Å; D444-R784 PolarHBondContact OD1-NH1 2.91Å; D444-R784 IonicContact OD1-NH2 3.46Å; D444-R784 PolarHBondContact OD1-NH2 2.97Å; D444-R784 IonicContact OD2-NH1 3.24Å; D444-R784 IonicContact OD2-NH2 3.66Å
445	K	96.6	Very high	96.1	Very high	125 Å²	125	32.7 Å²	32.7	54%	0.543	17%	0.168	S	C	.	.	H	α-helix	trans	-61.4	-40.6	176.4	-69.7	174.1	-178.6	174.2	0	111.7	N440 S441 L442 A448 S449	N440-K445 VanDerWaalsContact O-CE 3.31Å; N440-K445 WeakPolarHBondContact O-CE 3.44Å; S441-K445 WeakPolarHBondContact O-CG 3.34Å; S441-K445 PolarHBondContact O-N 3.25Å; L442-K445 PolarHBondContact O-N 3.25Å; K445-A448 PolarHBondContact O-N 3.01Å; K445-S449 WeakPolarHBondContact O-CB 3.28Å; K445-S449 PolarHBondContact O-N 3Å
446	E	96.6	Very high	96.2	Very high	40 Å²	40	33.3 Å²	33.3	19%	0.187	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-44.5	175.3	-178	58.2	-161.3	0	0	111.8	F352 V356 L442 V443 D444 A448 S449 R450	F352-E446 HydrophobicContact CD1-CG 3.75Å; F352-E446 HydrophobicContact CE1-CG 4.03Å; V356-E446 HydrophobicContact CG1-CB 4.4Å; V356-E446 HydrophobicContact CG2-CB 4.35Å; L442-E446 WeakPolarHBondContact O-CB 3.46Å; L442-E446 PolarHBondContact O-N 3.23Å; V443-E446 PolarHBondContact O-N 2.85Å; D444-E446 VanDerWaalsContact C-N 3.3Å; D444-E446 PolarHBondContact O-N 3.34Å; E446-A448 PolarHBondContact O-N 3.27Å; E446-S449 WeakPolarHBondContact O-CB 3.46Å; E446-S449 PolarHBondContact O-N 3.16Å; E446-R450 PolarHBondContact O-N 2.89Å; E446-R450 IonicContact OE1-CZ 2.72Å; E446-R450 IonicContact OE1-NE 3.68Å; E446-R450 PolarHBondContact OE1-NE 3.43Å; E446-R450 IonicContact OE1-NH2 2.81Å; E446-R450 PolarHBondContact OE1-NH2 3.09Å
447	A	97.8	Very high	96.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-39.4	175.8	0	0	0	0	0	112.2	V443 D444 S449 R450 A451 M463 L464 Y777	V443-A447 VanDerWaalsContact O-CB 3.25Å; V443-A447 WeakPolarHBondContact O-CB 3.09Å; V443-A447 PolarHBondContact O-N 2.97Å; D444-A447 PolarHBondContact O-N 3.06Å; A447-S449 VanDerWaalsContact C-N 3.31Å; A447-S449 PolarHBondContact O-N 3.45Å; A447-R450 PolarHBondContact O-N 3.12Å; A447-A451 VanDerWaalsContact O-CA 3.26Å; A447-A451 WeakPolarHBondContact O-CA 3.27Å; A447-A451 PolarHBondContact O-N 2.84Å; A447-M463 HydrophobicContact CB-CG 4.42Å; A447-L464 HydrophobicContact CB-CD2 3.73Å; A447-Y777 HydrophobicContact CB-CD2 3.91Å; A447-Y777 HydrophobicContact CB-CE2 4.37Å
448	A	96.9	Very high	96	Very high	14 Å²	14	38 Å²	38	12%	0.116	20%	0.196	C	C	.	.	H	α-helix	trans	-63.9	-36.2	174.8	0	0	0	0	0	112.3	D444 K445 E446 Y777 Q820	D444-A448 WeakPolarHBondContact O-CB 3.44Å; D444-A448 PolarHBondContact O-N 2.95Å; K445-A448 PolarHBondContact O-N 3.01Å; E446-A448 PolarHBondContact O-N 3.27Å; A448-Y777 HydrophobicContact CB-CD1 4.02Å; A448-Y777 HydrophobicContact CB-CD2 4.47Å; A448-Y777 HydrophobicContact CB-CE1 3.49Å; A448-Y777 VanDerWaalsContact CB-CE1 3.49Å; A448-Y777 HydrophobicContact CB-CE2 4.05Å; A448-Y777 HydrophobicContact CB-CG 4.47Å; A448-Q820 PolarHBondContact O-NE2 2.69Å
449	S	94.1	Very high	95.9	Very high	67 Å²	67	36.8 Å²	36.8	47%	0.469	19%	0.192	S	C	.	.	H	α-helix	trans	-71	-45	176.5	-178.7	0	0	0	0	112.5	K445 E446 A447 K827	K445-S449 WeakPolarHBondContact O-CB 3.28Å; K445-S449 PolarHBondContact O-N 3Å; E446-S449 WeakPolarHBondContact O-CB 3.46Å; E446-S449 PolarHBondContact O-N 3.16Å; A447-S449 VanDerWaalsContact C-N 3.31Å; A447-S449 PolarHBondContact O-N 3.45Å; S449-K827 VanDerWaalsContact O-CE 3.29Å; S449-K827 WeakPolarHBondContact O-CE 3.24Å
450	R	95.4	Very high	95.9	Very high	20 Å²	20	37.7 Å²	37.7	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-71.5	-39.8	175.6	-68.7	-170.8	-175	-144.1	-2.6	112.3	A349 Q351 F352 E446 A447 T452 P462 M463	A349-R450 PolarHBondContact O-NH1 2.71Å; Q351-R450 PolarHBondContact O-NH2 3.27Å; F352-R450 VanDerWaalsContact CZ-CZ 3.43Å; E446-R450 PolarHBondContact O-N 2.89Å; E446-R450 IonicContact OE1-CZ 2.72Å; E446-R450 IonicContact OE1-NE 3.68Å; E446-R450 PolarHBondContact OE1-NE 3.43Å; E446-R450 IonicContact OE1-NH2 2.81Å; E446-R450 PolarHBondContact OE1-NH2 3.09Å; A447-R450 PolarHBondContact O-N 3.12Å; R450-T452 PolarHBondContact O-N 3.47Å; R450-P462 PolarHBondContact NH1-O 2.94Å; R450-M463 HydrophobicContact CB-CG 4.08Å; R450-M463 WeakPolarHBondContact CD-O 3.39Å
451	A	97.3	Very high	96.1	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.033	17%	0.173	C	C	.	.			trans	59.1	-27.3	179.4	0	0	0	0	0	117.9	A447 M463 Y777 V823 K827	A447-A451 VanDerWaalsContact O-CA 3.26Å; A447-A451 WeakPolarHBondContact O-CA 3.27Å; A447-A451 PolarHBondContact O-N 2.84Å; A451-M463 VanDerWaalsContact C-SD 3.53Å; A451-Y777 PolarHBondContact O-N 3.48Å; A451-V823 HydrophobicContact CB-CG1 4.31Å; A451-K827 HydrophobicContact CB-CB 3.89Å; A451-K827 HydrophobicContact CB-CG 4Å
452	T	97.9	Very high	96.1	Very high	13 Å²	13	32 Å²	32	8%	0.08	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-153.2	149.3	178.6	-173.8	0	0	0	0	110.7	R450 R775 K827 A831	R450-T452 PolarHBondContact O-N 3.47Å; T452-R775 CarbonylContact C-O 3.59Å; T452-R775 VanDerWaalsContact CA-O 3.24Å; T452-R775 WeakPolarHBondContact CA-O 3.42Å; T452-R775 PolarHBondContact OG1-O 3.48Å; T452-K827 HydrophobicContact CG2-CB 4.22Å; T452-A831 HydrophobicContact CG2-CB 3.69Å
453	S	97.8	Very high	96.1	Very high	5 Å²	5	28.8 Å²	28.8	4%	0.035	15%	0.15	C	C	.	.			trans	-70.9	153.2	164.5	-56.1	0	0	0	0	110.4	V461 M463 R775	S453-V461 CarbonylContact C-O 3.51Å; S453-V461 VanDerWaalsContact CA-O 3.24Å; S453-V461 WeakPolarHBondContact CA-O 3.22Å; S453-V461 WeakPolarHBondContact CB-O 3.42Å; S453-M463 PolarHBondContact OG-N 3.27Å; S453-R775 PolarHBondContact N-O 3.02Å; S453-R775 WeakPolarHBondContact OG-CA 3.24Å; S453-R775 WeakPolarHBondContact OG-CB 3.32Å
454	I	97.1	Very high	96.2	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.041	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	116	178.1	-51.3	-176.8	0	0	0	109.1	A340 F342 L456 C460 V461 A831 A834	A340-I454 HydrophobicContact CB-CD1 3.62Å; F342-I454 HydrophobicContact CD2-CD1 4.09Å; F342-I454 HydrophobicContact CE2-CD1 3.64Å; I454-L456 HydrophobicContact CG2-CD2 3.75Å; I454-L456 HydrophobicContact CG2-CG 4.4Å; I454-C460 CarbonylContact O-C 3.56Å; I454-C460 WeakPolarHBondContact O-CA 3.41Å; I454-V461 HydrophobicContact CB-CB 4.14Å; I454-V461 PolarHBondContact N-O 3.32Å; I454-V461 PolarHBondContact O-N 2.83Å; I454-A831 HydrophobicContact CB-CB 4.42Å; I454-A831 HydrophobicContact CG1-CB 3.86Å; I454-A831 HydrophobicContact CG2-CB 4.41Å; I454-A834 HydrophobicContact CG2-CB 3.81Å
455	Y	94.9	Very high	96.2	Very high	94 Å²	94	28.6 Å²	28.6	37%	0.369	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.1	177	-63.8	-93.8	0	0	0	109.3	D396 C460 R775 G835	D396-Y455 PolarHBondContact OD2-OH 3.37Å; Y455-C460 HydrophobicContact CD1-CB 3.99Å; Y455-C460 HydrophobicContact CE1-CB 4.11Å; Y455-C460 WeakPolarHBondContact CE1-SG 3.45Å; Y455-R775 WeakPolarHBondContact OH-CD 3.35Å; Y455-G835 WeakPolarHBondContact O-CA 3.47Å
456	L	95.9	Very high	96.1	Very high	16 Å²	16	28.2 Å²	28.2	8%	0.084	14%	0.144	C	C	.	.			trans	-104.1	175.6	169.7	-51.8	-171.3	0	0	0	108.6	T333 I336 L337 I454 Q458 L459 A834 S838	T333-L456 HydrophobicContact CG2-CD1 3.62Å; I336-L456 HydrophobicContact CG2-CD2 4.36Å; L337-L456 HydrophobicContact CD2-CD1 4.25Å; L337-L456 HydrophobicContact CG-CD1 4.48Å; I454-L456 HydrophobicContact CG2-CD2 3.75Å; I454-L456 HydrophobicContact CG2-CG 4.4Å; L456-Q458 PolarHBondContact O-N 2.93Å; L456-L459 CarbonylContact C-O 3.52Å; L456-L459 WeakPolarHBondContact CA-O 3.33Å; L456-L459 HydrophobicContact CB-CD1 4.22Å; L456-L459 HydrophobicContact CB-CG 4.34Å; L456-L459 WeakPolarHBondContact CB-O 3.31Å; L456-L459 HydrophobicContact CD1-CD1 3.64Å; L456-L459 HydrophobicContact CD1-CG 4.17Å; L456-L459 HydrophobicContact CG-CD1 3.96Å; L456-L459 PolarHBondContact N-O 2.92Å; L456-A834 HydrophobicContact CD2-CB 4.09Å; L456-S838 WeakPolarHBondContact CB-OG 3.43Å
457	V	94.6	Very high	96	Very high	43 Å²	43	28.3 Å²	28.3	26%	0.261	15%	0.146	S	C	.	.	S	Bend	trans	-61.1	-46.8	-178.6	171	0	0	0	0	111.9	F578 L580 S838 A839 F842	V457-F578 HydrophobicContact CB-CD2 4.31Å; V457-F578 HydrophobicContact CG1-CB 3.77Å; V457-F578 HydrophobicContact CG1-CD2 3.55Å; V457-F578 HydrophobicContact CG1-CE2 4.38Å; V457-F578 HydrophobicContact CG1-CG 3.83Å; V457-F578 HydrophobicContact CG2-CD2 3.71Å; V457-F578 HydrophobicContact CG2-CE2 3.77Å; V457-L580 HydrophobicContact CG1-CD1 4.3Å; V457-L580 HydrophobicContact CG1-CD2 4.28Å; V457-S838 PolarHBondContact N-OG 3.2Å; V457-A839 HydrophobicContact CG2-CB 4.4Å; V457-F842 HydrophobicContact CB-CB 4.45Å; V457-F842 HydrophobicContact CB-CD1 4.33Å; V457-F842 HydrophobicContact CB-CD2 3.62Å; V457-F842 HydrophobicContact CB-CE2 3.86Å; V457-F842 HydrophobicContact CB-CG 3.86Å; V457-F842 HydrophobicContact CB-CZ 4.32Å; V457-F842 HydrophobicContact CG1-CB 4.17Å; V457-F842 HydrophobicContact CG1-CD1 3.7Å; V457-F842 HydrophobicContact CG1-CD2 3.92Å; V457-F842 HydrophobicContact CG1-CE1 4.02Å; V457-F842 HydrophobicContact CG1-CE2 4.23Å; V457-F842 HydrophobicContact CG1-CG 3.64Å; V457-F842 HydrophobicContact CG1-CZ 4.27Å; V457-F842 HydrophobicContact CG2-CB 4.16Å; V457-F842 HydrophobicContact CG2-CD2 3.88Å; V457-F842 HydrophobicContact CG2-CG 4.07Å
458	Q	93.4	Very high	96	Very high	62 Å²	62	28.4 Å²	28.4	29%	0.29	15%	0.146	S	C	.	.	S	Bend	trans	-99.8	-15.7	-173.5	79.2	-73.7	20.2	0	0	114.2	T333 L456 L580 F842	T333-Q458 PolarHBondContact OG1-NE2 2.67Å; L456-Q458 PolarHBondContact O-N 2.93Å; Q458-L580 HydrophobicContact CB-CD1 3.68Å; Q458-F842 HydrophobicContact CB-CE1 4.42Å; Q458-F842 HydrophobicContact CB-CZ 3.81Å; Q458-F842 HydrophobicContact CG-CZ 3.96Å
459	L	93.1	Very high	95.8	Very high	34 Å²	34	28 Å²	28	18%	0.178	14%	0.142	C	C	.	.			trans	-150.7	160.2	-173.3	66.9	78.7	0	0	0	113.8	T333 V346 F350 L456 V461	T333-L459 HydrophobicContact CG2-CD2 4.28Å; V346-L459 HydrophobicContact CG1-CD2 4.06Å; V346-L459 HydrophobicContact CG2-CD2 4.36Å; F350-L459 HydrophobicContact CE2-CD1 4.13Å; F350-L459 HydrophobicContact CE2-CD2 4.13Å; F350-L459 HydrophobicContact CZ-CB 4.18Å; F350-L459 HydrophobicContact CZ-CD1 3.93Å; F350-L459 HydrophobicContact CZ-CD2 4.38Å; F350-L459 HydrophobicContact CZ-CG 4.4Å; L456-L459 CarbonylContact C-O 3.52Å; L456-L459 WeakPolarHBondContact CA-O 3.33Å; L456-L459 HydrophobicContact CB-CD1 4.22Å; L456-L459 HydrophobicContact CB-CG 4.34Å; L456-L459 WeakPolarHBondContact CB-O 3.31Å; L456-L459 HydrophobicContact CD1-CD1 3.64Å; L456-L459 HydrophobicContact CD1-CG 4.17Å; L456-L459 HydrophobicContact CG-CD1 3.96Å; L456-L459 PolarHBondContact N-O 2.92Å; L459-V461 HydrophobicContact CD1-CG2 3.76Å
460	C	94.5	Very high	95.8	Very high	39 Å²	39	27.1 Å²	27.1	26%	0.264	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.4	172.9	179.4	0	0	0	0	109.5	F350 I454 Y455 P462	F350-C460 WeakPolarHBondContact CE1-O 3.48Å; F350-C460 WeakPolarHBondContact CZ-O 3.33Å; I454-C460 CarbonylContact O-C 3.56Å; I454-C460 WeakPolarHBondContact O-CA 3.41Å; Y455-C460 HydrophobicContact CD1-CB 3.99Å; Y455-C460 HydrophobicContact CE1-CB 4.11Å; Y455-C460 WeakPolarHBondContact CE1-SG 3.45Å; C460-P462 WeakPolarHBondContact O-CD 3.47Å
461	V	96.3	Very high	95.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.1	171.2	178.1	0	0	0	0	108.4	L337 F342 A349 S453 I454 L459	L337-V461 HydrophobicContact CD1-CG2 4.48Å; L337-V461 HydrophobicContact CD2-CG2 3.81Å; F342-V461 HydrophobicContact CE1-CG1 4.18Å; F342-V461 HydrophobicContact CE2-CG1 3.95Å; F342-V461 HydrophobicContact CZ-CG1 3.71Å; A349-V461 HydrophobicContact CB-CG1 3.8Å; A349-V461 HydrophobicContact CB-CG2 3.97Å; S453-V461 CarbonylContact C-O 3.51Å; S453-V461 VanDerWaalsContact CA-O 3.24Å; S453-V461 WeakPolarHBondContact CA-O 3.22Å; S453-V461 WeakPolarHBondContact CB-O 3.42Å; I454-V461 HydrophobicContact CB-CB 4.14Å; I454-V461 PolarHBondContact N-O 3.32Å; I454-V461 PolarHBondContact O-N 2.83Å; L459-V461 HydrophobicContact CD1-CG2 3.76Å
462	P	96.8	Very high	95.7	Very high	11 Å²	11	32.6 Å²	32.6	7%	0.071	16%	0.157	C	C	.	.			trans	-83.2	146.2	-170.1	35.4	-37.6	0	0	0	112.2	F350 F352 R450 C460 L464	F350-P462 HydrophobicContact CD1-CG 4.42Å; F352-P462 HydrophobicContact CE2-CG 4.16Å; F352-P462 HydrophobicContact CZ-CG 4.35Å; R450-P462 PolarHBondContact NH1-O 2.94Å; C460-P462 WeakPolarHBondContact O-CD 3.47Å; P462-L464 WeakPolarHBondContact CB-O 3.31Å
463	M	97.4	Very high	95.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.153	C	C	.	.	S	Bend	trans	-71.3	-34.3	169.8	-174.6	-175.4	75.2	0	0	112.3	A447 R450 A451 S453 P773 I774 Y777	A447-M463 HydrophobicContact CB-CG 4.42Å; R450-M463 HydrophobicContact CB-CG 4.08Å; R450-M463 WeakPolarHBondContact CD-O 3.39Å; A451-M463 VanDerWaalsContact C-SD 3.53Å; S453-M463 PolarHBondContact OG-N 3.27Å; M463-P773 WeakPolarHBondContact CE-O 3.4Å; M463-I774 WeakPolarHBondContact CE-O 3.47Å; M463-Y777 PolarHBondContact SD-N 3.19Å
464	L	97.9	Very high	95.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.152	C	C	.	.	S	Bend	trans	-115.8	154.7	-177.9	-63.6	172.5	0	0	0	110.6	F352 V433 V437 V443 A447 P462 L468 C469	F352-L464 WeakPolarHBondContact CZ-O 3.22Å; V433-L464 HydrophobicContact CG1-CD1 3.61Å; V437-L464 HydrophobicContact CG2-CD2 4.1Å; V443-L464 HydrophobicContact CG2-CD2 4.16Å; A447-L464 HydrophobicContact CB-CD2 3.73Å; P462-L464 WeakPolarHBondContact CB-O 3.31Å; L464-L468 HydrophobicContact CB-CB 4.28Å; L464-C469 HydrophobicContact CB-CB 4.35Å; L464-C469 PolarHBondContact O-SG 2.92Å
465	P	96.9	Very high	95.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.013	15%	0.15	C	C	.	.			trans	-56.2	148.7	171.7	-28	37.5	0	0	0	112.6	F352 V356 I357 V360 L467 L468 C469	F352-P465 HydrophobicContact CB-CG 4.39Å; F352-P465 HydrophobicContact CD1-CG 3.72Å; F352-P465 HydrophobicContact CD2-CB 4.25Å; F352-P465 HydrophobicContact CD2-CG 4.04Å; F352-P465 HydrophobicContact CE1-CG 3.93Å; F352-P465 HydrophobicContact CE2-CB 4.36Å; F352-P465 HydrophobicContact CE2-CG 4.24Å; F352-P465 HydrophobicContact CG-CB 4.45Å; F352-P465 HydrophobicContact CG-CG 3.79Å; F352-P465 HydrophobicContact CZ-CG 4.2Å; V356-P465 HydrophobicContact CG1-CG 4.49Å; I357-P465 HydrophobicContact CD1-CB 3.68Å; I357-P465 HydrophobicContact CD1-CG 3.85Å; V360-P465 HydrophobicContact CG2-CG 4.13Å; P465-L467 PolarHBondContact O-N 2.88Å; P465-L468 WeakPolarHBondContact O-CA 3.36Å; P465-L468 PolarHBondContact O-N 3.19Å; P465-C469 PolarHBondContact O-N 3.5Å; P465-C469 PolarHBondContact O-SG 3.34Å; P465-C469 VanDerWaalsContact O-SG 3.42Å
466	R	94.5	Very high	95.9	Very high	117 Å²	117	28.4 Å²	28.4	44%	0.442	14%	0.14	S	C	.	.	H	α-helix	trans	-53.7	-38.6	-179	-65	-166.1	-177.4	-158.3	2.9	113.8	L468 C469 E470 E471	R466-L468 PolarHBondContact O-N 3.09Å; R466-L468 VanDerWaalsContact O-N 3.16Å; R466-C469 VanDerWaalsContact CA-SG 3.52Å; R466-C469 PolarHBondContact O-N 3.42Å; R466-E470 VanDerWaalsContact CD-OE1 3.29Å; R466-E470 WeakPolarHBondContact CD-OE1 3.44Å; R466-E470 WeakPolarHBondContact CG-OE1 3.17Å; R466-E470 IonicContact CZ-OE1 3.58Å; R466-E470 IonicContact NE-OE1 3.76Å; R466-E470 IonicContact NH1-OE1 2.69Å; R466-E470 PolarHBondContact O-N 3.44Å; R466-E471 PolarHBondContact O-N 2.83Å
467	L	95.5	Very high	95.9	Very high	42 Å²	42	30.3 Å²	30.3	22%	0.22	15%	0.153	C	C	.	.	I	π-helix	trans	-53.7	-35	173.5	179.4	57.7	0	0	0	112.1	V360 R361 V364 P465 E471 Q472	V360-L467 HydrophobicContact CG1-CB 4.43Å; V360-L467 HydrophobicContact CG1-CD2 3.87Å; V360-L467 HydrophobicContact CG1-CG 4.2Å; R361-L467 HydrophobicContact CG-CD2 3.86Å; V364-L467 HydrophobicContact CG2-CD2 4.46Å; V364-L467 HydrophobicContact CG2-CG 4.46Å; P465-L467 PolarHBondContact O-N 2.88Å; L467-E471 WeakPolarHBondContact CD1-OE2 3.36Å; L467-E471 WeakPolarHBondContact O-CB 3.39Å; L467-Q472 HydrophobicContact CD1-CG 4.18Å; L467-Q472 HydrophobicContact CG-CG 4.49Å; L467-Q472 WeakPolarHBondContact O-CB 3.49Å; L467-Q472 WeakPolarHBondContact O-CG 3.39Å; L467-Q472 PolarHBondContact O-N 2.84Å
468	L	96.7	Very high	96	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.155	C	C	.	.	I	π-helix	trans	-86	-50.2	173.8	-67	179.4	0	0	0	112.4	V360 V364 F436 V437 V443 L464 P465 R466 Q472 C473	V360-L468 HydrophobicContact CG1-CD1 3.97Å; V360-L468 HydrophobicContact CG1-CD2 3.86Å; V360-L468 HydrophobicContact CG1-CG 3.6Å; V360-L468 HydrophobicContact CG2-CD1 3.92Å; V360-L468 HydrophobicContact CG2-CG 4.44Å; V364-L468 HydrophobicContact CG2-CD2 4Å; F436-L468 HydrophobicContact CB-CD2 3.89Å; F436-L468 HydrophobicContact CD1-CD2 4.41Å; F436-L468 HydrophobicContact CG-CD2 4.28Å; V437-L468 HydrophobicContact CG2-CD1 3.78Å; V443-L468 HydrophobicContact CG2-CD1 3.9Å; L464-L468 HydrophobicContact CB-CB 4.28Å; P465-L468 WeakPolarHBondContact O-CA 3.36Å; P465-L468 PolarHBondContact O-N 3.19Å; R466-L468 PolarHBondContact O-N 3.09Å; R466-L468 VanDerWaalsContact O-N 3.16Å; L468-Q472 HydrophobicContact CD2-CB 4.37Å; L468-C473 WeakPolarHBondContact O-CA 3.5Å; L468-C473 WeakPolarHBondContact O-CB 3.27Å; L468-C473 PolarHBondContact O-N 2.81Å; L468-C473 PolarHBondContact O-SG 3.42Å
469	C	94.6	Very high	96.1	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.041	16%	0.161	C	C	.	.	I	π-helix	trans	-78.8	-31.2	-168.8	59.2	0	0	0	0	115.5	L464 P465 R466 S474 I774	L464-C469 HydrophobicContact CB-CB 4.35Å; L464-C469 PolarHBondContact O-SG 2.92Å; P465-C469 PolarHBondContact O-N 3.5Å; P465-C469 PolarHBondContact O-SG 3.34Å; P465-C469 VanDerWaalsContact O-SG 3.42Å; R466-C469 VanDerWaalsContact CA-SG 3.52Å; R466-C469 PolarHBondContact O-N 3.42Å; C469-S474 WeakPolarHBondContact O-CB 3.44Å; C469-I774 HydrophobicContact CB-CG2 3.22Å
470	E	93.8	Very high	96.1	Very high	49 Å²	49	30.8 Å²	30.8	23%	0.229	16%	0.16	C	C	.	.	I	π-helix	trans	-103	-27.7	-178	-64.3	179.1	-139.3	0	0	111.8	R395 R466 S474 N476	R395-E470 HydrophobicContact CB-CG 4.02Å; R395-E470 WeakPolarHBondContact CD-OE2 3.34Å; R395-E470 IonicContact NH1-OE2 3.22Å; R466-E470 VanDerWaalsContact CD-OE1 3.29Å; R466-E470 WeakPolarHBondContact CD-OE1 3.44Å; R466-E470 WeakPolarHBondContact CG-OE1 3.17Å; R466-E470 IonicContact CZ-OE1 3.58Å; R466-E470 IonicContact NE-OE1 3.76Å; R466-E470 IonicContact NH1-OE1 2.69Å; R466-E470 PolarHBondContact O-N 3.44Å; E470-S474 WeakPolarHBondContact O-CB 3.3Å; E470-N476 PolarHBondContact O-ND2 2.89Å
471	E	95.1	Very high	96.2	Very high	99 Å²	99	29.4 Å²	29.4	46%	0.463	15%	0.15	S	C	.	.	I	π-helix	trans	-106.5	-73.1	-175.9	-61.2	172.2	-135.5	0	0	112.2	R466 L467 K481	R466-E471 PolarHBondContact O-N 2.83Å; L467-E471 WeakPolarHBondContact CD1-OE2 3.36Å; L467-E471 WeakPolarHBondContact O-CB 3.39Å; E471-K481 PolarHBondContact O-NZ 3.19Å
472	Q	95.4	Very high	96.2	Very high	40 Å²	40	29.7 Å²	29.7	19%	0.187	15%	0.151	C	C	.	.	I	π-helix	trans	-73.5	-40	-166.2	-62.3	-56.4	-49.3	0	0	114.5	V364 F436 L467 L468	V364-Q472 HydrophobicContact CG1-CG 3.85Å; V364-Q472 HydrophobicContact CG2-CG 3.83Å; F436-Q472 HydrophobicContact CD1-CB 4.49Å; F436-Q472 HydrophobicContact CE1-CB 4.07Å; F436-Q472 HydrophobicContact CZ-CB 4.24Å; L467-Q472 HydrophobicContact CD1-CG 4.18Å; L467-Q472 HydrophobicContact CG-CG 4.49Å; L467-Q472 WeakPolarHBondContact O-CB 3.49Å; L467-Q472 WeakPolarHBondContact O-CG 3.39Å; L467-Q472 PolarHBondContact O-N 2.84Å; L468-Q472 HydrophobicContact CD2-CB 4.37Å
473	C	97	Very high	96.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.148	C	C	.	.	S	Bend	trans	-94.8	-30.1	-176.1	-58	0	0	0	0	113.2	A431 V433 L468 L475 I774	A431-C473 HydrophobicContact CB-CB 4.35Å; A431-C473 WeakPolarHBondContact CB-O 3.34Å; V433-C473 HydrophobicContact CG2-CB 3.86Å; L468-C473 WeakPolarHBondContact O-CA 3.5Å; L468-C473 WeakPolarHBondContact O-CB 3.27Å; L468-C473 PolarHBondContact O-N 2.81Å; L468-C473 PolarHBondContact O-SG 3.42Å; C473-L475 PolarHBondContact O-N 3.45Å; C473-I774 HydrophobicContact CB-CD1 4.22Å; C473-I774 HydrophobicContact CB-CG1 4.07Å
474	S	98	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-57.5	131.5	177.3	-174.7	0	0	0	0	110.3	R395 L397 C469 E470 N476 K481	R395-S474 PolarHBondContact O-OG 3.27Å; L397-S474 WeakPolarHBondContact CB-OG 3.45Å; L397-S474 WeakPolarHBondContact CG-OG 3.39Å; L397-S474 PolarHBondContact N-OG 3.12Å; C469-S474 WeakPolarHBondContact O-CB 3.44Å; E470-S474 WeakPolarHBondContact O-CB 3.3Å; S474-N476 WeakPolarHBondContact CB-OD1 3.21Å; S474-N476 PolarHBondContact O-N 3.3Å; S474-N476 PolarHBondContact OG-OD1 3.48Å; S474-K481 VanDerWaalsContact O-CD 3.24Å; S474-K481 WeakPolarHBondContact O-CD 3.08Å; S474-K481 WeakPolarHBondContact O-CE 3.38Å; S474-K481 PolarHBondContact O-NZ 3.23Å
475	L	98.4	Very high	96.4	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.147	C	C	.	.			trans	-77.2	49.7	-178.7	-58.1	-177.5	0	0	0	112.7	T388 L397 A400 H429 A431 C473 K481 I506	T388-L475 HydrophobicContact CG2-CB 4.23Å; L397-L475 HydrophobicContact CB-CB 4.31Å; L397-L475 WeakPolarHBondContact O-CG 3.47Å; L397-L475 PolarHBondContact O-N 3.39Å; A400-L475 HydrophobicContact CB-CD1 3.79Å; H429-L475 WeakPolarHBondContact O-CD1 3.45Å; A431-L475 HydrophobicContact CB-CD2 4.4Å; A431-L475 HydrophobicContact CB-CG 4.41Å; C473-L475 PolarHBondContact O-N 3.45Å; L475-K481 HydrophobicContact CD2-CB 3.73Å; L475-K481 HydrophobicContact CD2-CG 4.37Å; L475-I506 HydrophobicContact CD1-CD1 4.04Å; L475-I506 HydrophobicContact CD2-CD1 4.03Å; L475-I506 HydrophobicContact CG-CD1 4.47Å
476	N	97.7	Very high	96.5	Very high	30 Å²	30	29 Å²	29	16%	0.16	15%	0.147	C	C	.	.			trans	-55	140.2	-176.2	-64.8	-27.9	0	0	0	112.2	E470 S474	E470-N476 PolarHBondContact O-ND2 2.89Å; S474-N476 WeakPolarHBondContact CB-OD1 3.21Å; S474-N476 PolarHBondContact O-N 3.3Å; S474-N476 PolarHBondContact OG-OD1 3.48Å
477	P	96.7	Very high	96.7	Very high	55 Å²	55	23.7 Å²	23.7	36%	0.357	13%	0.128	S	C	.	.	B	Isolated β-bridge	trans	-67.1	147	-178.8	28.5	-35.2	0	0	0	112.5	E479 S508 K511	P477-E479 PolarHBondContact O-N 2.74Å; P477-S508 CarbonylContact C-O 3.54Å; P477-S508 VanDerWaalsContact CA-O 3.28Å; P477-S508 WeakPolarHBondContact CA-O 3.14Å; P477-K511 HydrophobicContact CG-CB 4.29Å
478	G	95.7	Very high	96.9	Very high	29 Å²	29	21.7 Å²	21.7	30%	0.299	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	-5.2	-179.3	0	0	0	0	0	115.6	S508 D537	G478-S508 PolarHBondContact N-O 3.06Å; G478-D537 WeakPolarHBondContact CA-OD2 3.22Å
479	E	95.4	Very high	97	Very high	89 Å²	89	22.4 Å²	22.4	42%	0.416	12%	0.121	S	C	.	.	S	Bend	trans	-102	143.2	178.3	-65.9	178.2	-145.4	0	0	111.1	P477 K481	P477-E479 PolarHBondContact O-N 2.74Å; E479-K481 HydrophobicContact CB-CD 4.47Å; E479-K481 HydrophobicContact CB-CG 4.4Å; E479-K481 PolarHBondContact O-N 3.4Å; E479-K481 WeakPolarHBondContact OE2-CE 3.22Å; E479-K481 IonicContact OE2-NZ 3.93Å; E479-K481 PolarHBondContact OE2-NZ 2.98Å
480	D	94.9	Very high	97.1	Very high	31 Å²	31	22.1 Å²	22.1	17%	0.166	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124	169	-93.4	6.1	0	0	0	109.8	R371 R382 F505 R507	R371-D480 VanDerWaalsContact NH2-C 3.35Å; R371-D480 PolarHBondContact NH2-O 2.84Å; R382-D480 WeakPolarHBondContact CD-OD1 3.39Å; R382-D480 IonicContact CZ-OD2 3.21Å; R382-D480 IonicContact NH1-OD2 2.65Å; R382-D480 PolarHBondContact NH1-OD2 3.08Å; D480-F505 HydrophobicContact CB-CE1 4.29Å; D480-F505 HydrophobicContact CB-CE2 3.58Å; D480-F505 HydrophobicContact CB-CZ 3.33Å; D480-F505 VanDerWaalsContact CG-CZ 3.41Å; D480-F505 VanDerWaalsContact OD2-CZ 3.29Å; D480-F505 WeakPolarHBondContact OD2-CZ 3.45Å; D480-R507 IonicContact OD1-CZ 2.63Å; D480-R507 IonicContact OD1-NE 2.9Å; D480-R507 PolarHBondContact OD1-NE 2.96Å; D480-R507 IonicContact OD1-NH2 3.93Å; D480-R507 PolarHBondContact OD1-NH2 2.93Å; D480-R507 IonicContact OD2-NH2 3.61Å; D480-R507 PolarHBondContact OD2-NH2 2.96Å; D480-R507 VanDerWaalsContact OD2-NH2 3.08Å
481	K	96	Very high	97.4	Very high	11 Å²	11	20.1 Å²	20.1	5%	0.048	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.1	-173.7	-63.8	-69.2	-178.6	-176.4	0	113.1	E471 S474 L475 E479 F505 I506	E471-K481 PolarHBondContact O-NZ 3.19Å; S474-K481 VanDerWaalsContact O-CD 3.24Å; S474-K481 WeakPolarHBondContact O-CD 3.08Å; S474-K481 WeakPolarHBondContact O-CE 3.38Å; S474-K481 PolarHBondContact O-NZ 3.23Å; L475-K481 HydrophobicContact CD2-CB 3.73Å; L475-K481 HydrophobicContact CD2-CG 4.37Å; E479-K481 HydrophobicContact CB-CD 4.47Å; E479-K481 HydrophobicContact CB-CG 4.4Å; E479-K481 PolarHBondContact O-N 3.4Å; E479-K481 WeakPolarHBondContact OE2-CE 3.22Å; E479-K481 IonicContact OE2-NZ 3.93Å; E479-K481 PolarHBondContact OE2-NZ 2.98Å; K481-F505 VanDerWaalsContact O-CD2 3.25Å; K481-F505 WeakPolarHBondContact O-CD2 3.39Å; K481-I506 HydrophobicContact CB-CG1 4.31Å; K481-I506 PolarHBondContact N-O 3.13Å; K481-I506 PolarHBondContact O-N 3.38Å
482	L	96.5	Very high	97.5	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.9	177.5	-54.5	-175.1	0	0	0	109.7	V367 F375 D432 Y435 F436 F505	V367-L482 HydrophobicContact CG1-CD1 4.23Å; F375-L482 HydrophobicContact CE1-CD2 4.47Å; D432-L482 HydrophobicContact CB-CB 4.09Å; D432-L482 WeakPolarHBondContact CB-O 3.27Å; D432-L482 PolarHBondContact N-O 3.06Å; D432-L482 VanDerWaalsContact N-O 3.13Å; Y435-L482 HydrophobicContact CD1-CD1 3.53Å; Y435-L482 HydrophobicContact CE1-CD1 3.54Å; F436-L482 HydrophobicContact CE2-CD1 4.12Å; F436-L482 HydrophobicContact CZ-CD1 3.93Å; L482-F505 HydrophobicContact CD2-CD2 3.76Å; L482-F505 HydrophobicContact CD2-CE2 3.98Å
483	A	98.3	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.2	179.9	0	0	0	0	0	112.4	R378 H429 I430 R503 T504 I506	R378-A483 PolarHBondContact NH1-O 2.98Å; H429-A483 HydrophobicContact CB-CB 4.06Å; I430-A483 CarbonylContact O-C 3.38Å; I430-A483 WeakPolarHBondContact O-CA 3.39Å; I430-A483 VanDerWaalsContact O-CB 3.29Å; I430-A483 WeakPolarHBondContact O-CB 3.19Å; A483-R503 CarbonylContact O-C 3.51Å; A483-R503 WeakPolarHBondContact O-CA 3.46Å; A483-T504 WeakPolarHBondContact CB-OG1 3.23Å; A483-T504 PolarHBondContact N-O 2.72Å; A483-T504 PolarHBondContact O-N 3.2Å; A483-T504 PolarHBondContact O-OG1 2.72Å; A483-I506 HydrophobicContact CB-CD1 4.28Å; A483-I506 HydrophobicContact CB-CG1 4.23Å
484	F	98.6	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	111	165.8	-157	154.1	0	0	0	107.5	I430 R503 F770 H783 L786 S787 L790	I430-F484 WeakPolarHBondContact CB-O 3.29Å; I430-F484 PolarHBondContact N-O 3.41Å; I430-F484 VanDerWaalsContact N-O 3.08Å; I430-F484 PolarHBondContact O-N 2.83Å; F484-R503 HydrophobicContact CD1-CG 4.4Å; F484-R503 HydrophobicContact CD2-CG 4.39Å; F484-R503 HydrophobicContact CG-CG 4.23Å; F484-F770 HydrophobicContact CB-CE2 4.49Å; F484-F770 HydrophobicContact CB-CZ 4.07Å; F484-F770 HydrophobicContact CD1-CE2 4.28Å; F484-F770 HydrophobicContact CD2-CE2 4.38Å; F484-F770 HydrophobicContact CD2-CZ 4.06Å; F484-F770 HydrophobicContact CG-CE2 4.12Å; F484-F770 AromaticContact CG-CZ 3.97Å; F484-F770 HydrophobicContact CG-CZ 3.97Å; F484-H783 HydrophobicContact CD1-CB 4.11Å; F484-H783 AromaticContact CD1-CG 3.93Å; F484-H783 AromaticContact CD1-ND1 3.7Å; F484-H783 HydrophobicContact CE1-CB 4.33Å; F484-H783 WeakPolarHBondContact CE1-O 3.34Å; F484-L786 HydrophobicContact CD2-CD2 4.26Å; F484-L786 HydrophobicContact CE1-CB 4.24Å; F484-L786 HydrophobicContact CE1-CD2 4.24Å; F484-L786 HydrophobicContact CE1-CG 4.34Å; F484-L786 HydrophobicContact CE2-CD2 3.52Å; F484-L786 HydrophobicContact CE2-CG 3.95Å; F484-L786 HydrophobicContact CZ-CB 3.89Å; F484-L786 HydrophobicContact CZ-CD2 3.52Å; F484-L786 HydrophobicContact CZ-CG 3.53Å; F484-S787 WeakPolarHBondContact CE1-OG 2.95Å; F484-L790 HydrophobicContact CE2-CD1 3.76Å; F484-L790 HydrophobicContact CZ-CD1 3.7Å
485	S	98.9	Very high	97.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	149	-167.1	-62.1	0	0	0	0	113.8	V428 H429 F501 G502 T504	V428-S485 CarbonylContact O-C 3.6Å; V428-S485 VanDerWaalsContact O-CA 3.23Å; V428-S485 WeakPolarHBondContact O-CA 3.33Å; H429-S485 PolarHBondContact ND1-OG 2.79Å; S485-F501 WeakPolarHBondContact O-CA 3.34Å; S485-G502 PolarHBondContact N-O 2.96Å; S485-G502 PolarHBondContact O-N 3.37Å; S485-G502 VanDerWaalsContact O-N 3.13Å; S485-T504 VanDerWaalsContact OG-CG2 3.31Å; S485-T504 WeakPolarHBondContact OG-CG2 3.37Å; S485-T504 PolarHBondContact OG-OG1 3.17Å
486	V	98.9	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.8	162.8	-170.3	0	0	0	0	107.1	V428 F488 T499 W500 F501 A609 V613 F770	V428-V486 PolarHBondContact N-O 2.78Å; V428-V486 PolarHBondContact O-N 2.7Å; V486-F488 HydrophobicContact CB-CE2 4.38Å; V486-F488 HydrophobicContact CB-CZ 4.22Å; V486-F488 HydrophobicContact CG1-CD1 4.41Å; V486-F488 HydrophobicContact CG1-CE1 3.65Å; V486-F488 HydrophobicContact CG1-CE2 3.91Å; V486-F488 HydrophobicContact CG1-CZ 3.36Å; V486-T499 HydrophobicContact CG1-CG2 3.32Å; V486-W500 WeakPolarHBondContact CA-O 3.36Å; V486-F501 HydrophobicContact CB-CD1 4.41Å; V486-F501 HydrophobicContact CB-CE1 4.46Å; V486-F501 HydrophobicContact CG1-CD1 4.06Å; V486-F501 HydrophobicContact CG1-CE1 3.75Å; V486-F501 HydrophobicContact CG1-CZ 4.41Å; V486-F501 HydrophobicContact CG2-CD1 3.85Å; V486-F501 HydrophobicContact CG2-CE1 3.96Å; V486-A609 HydrophobicContact CB-CB 4.26Å; V486-A609 HydrophobicContact CG2-CB 4.02Å; V486-V613 HydrophobicContact CG2-CG2 4.03Å; V486-F770 HydrophobicContact CG2-CD1 4.22Å; V486-F770 HydrophobicContact CG2-CE1 3.66Å; V486-F770 HydrophobicContact CG2-CZ 4.27Å
487	V	98.9	Very high	97.6	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.5	-178.5	-178.2	0	0	0	0	109.1	F381 E425 V426 T499 W500	F381-V487 HydrophobicContact CE2-CG2 3.73Å; F381-V487 HydrophobicContact CZ-CG2 3.83Å; E425-V487 HydrophobicContact CG-CG1 3.51Å; V426-V487 WeakPolarHBondContact O-CA 3.31Å; V487-T499 CarbonylContact O-C 3.56Å; V487-T499 WeakPolarHBondContact O-CA 3.47Å; V487-W500 HydrophobicContact CB-CB 4.41Å; V487-W500 HydrophobicContact CB-CE3 3.91Å; V487-W500 HydrophobicContact CG2-CE3 3.6Å; V487-W500 HydrophobicContact CG2-CZ3 3.92Å; V487-W500 PolarHBondContact N-O 3.21Å; V487-W500 PolarHBondContact O-N 3.07Å
488	F	98.9	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.5	-177.4	-57.6	-71.1	0	0	0	110.9	E425 V426 V428 V486 V490 I496 T499 W605 A608 A609 S612	E425-F488 CarbonylContact C-O 3.57Å; E425-F488 WeakPolarHBondContact CA-O 3.35Å; V426-F488 PolarHBondContact N-O 3.32Å; V426-F488 PolarHBondContact O-N 3.01Å; V428-F488 HydrophobicContact CG2-CD2 4.36Å; V428-F488 HydrophobicContact CG2-CE2 3.8Å; V486-F488 HydrophobicContact CB-CE2 4.38Å; V486-F488 HydrophobicContact CB-CZ 4.22Å; V486-F488 HydrophobicContact CG1-CD1 4.41Å; V486-F488 HydrophobicContact CG1-CE1 3.65Å; V486-F488 HydrophobicContact CG1-CE2 3.91Å; V486-F488 HydrophobicContact CG1-CZ 3.36Å; F488-V490 HydrophobicContact CB-CG2 3.65Å; F488-I496 HydrophobicContact CB-CG2 4.48Å; F488-I496 HydrophobicContact CD1-CD1 3.89Å; F488-I496 HydrophobicContact CD1-CG1 4.26Å; F488-I496 HydrophobicContact CD1-CG2 3.72Å; F488-I496 HydrophobicContact CE1-CD1 4.03Å; F488-I496 HydrophobicContact CE1-CG2 4.46Å; F488-I496 HydrophobicContact CG-CD1 4.39Å; F488-T499 HydrophobicContact CD1-CG2 3.76Å; F488-T499 WeakPolarHBondContact CD1-OG1 3.39Å; F488-T499 HydrophobicContact CE1-CG2 3.55Å; F488-T499 HydrophobicContact CZ-CG2 4.45Å; F488-W605 HydrophobicContact CD2-CE3 4.17Å; F488-W605 HydrophobicContact CD2-CZ3 4.02Å; F488-W605 HydrophobicContact CE2-CE3 4.36Å; F488-A608 HydrophobicContact CE2-CB 4.19Å; F488-A608 HydrophobicContact CZ-CB 3.9Å; F488-A609 HydrophobicContact CZ-CB 4.5Å; F488-S612 WeakPolarHBondContact CE1-OG 3.4Å
489	T	98.7	Very high	97.8	Very high	16 Å²	16	33.6 Å²	33.6	10%	0.098	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.3	159.7	-59.2	0	0	0	0	108.1	L406 L414 A422 Y424 L497 T498	L406-T489 HydrophobicContact CD1-CG2 4.07Å; L414-T489 HydrophobicContact CD1-CG2 3.83Å; L414-T489 HydrophobicContact CD2-CG2 4.49Å; A422-T489 HydrophobicContact CB-CG2 3.64Å; Y424-T489 WeakPolarHBondContact O-CA 3.29Å; T489-L497 HydrophobicContact CG2-CB 4.45Å; T489-L497 HydrophobicContact CG2-CD1 4.35Å; T489-L497 PolarHBondContact O-N 2.92Å; T489-T498 HydrophobicContact CG2-CG2 4.41Å; T489-T498 PolarHBondContact N-O 3.01Å; T489-T498 WeakPolarHBondContact OG1-CG2 3.39Å
490	V	98.6	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.1	-168.4	-166.2	0	0	0	0	110.5	F423 Y424 V426 F488 K495 I496 W605	F423-V490 PolarHBondContact N-O 3.35Å; Y424-V490 PolarHBondContact N-O 2.95Å; Y424-V490 PolarHBondContact O-N 2.71Å; V426-V490 HydrophobicContact CG2-CG2 4.33Å; F488-V490 HydrophobicContact CB-CG2 3.65Å; V490-K495 WeakPolarHBondContact CA-O 3.1Å; V490-I496 HydrophobicContact CG2-CG1 4.41Å; V490-W605 HydrophobicContact CG2-CH2 4.3Å
491	T	98.3	Very high	98.1	Very high	8 Å²	8	32.9 Å²	32.9	5%	0.049	16%	0.162	C	C	.	.			trans	-75.8	167.7	170.2	67.6	0	0	0	0	111.6	N421 D493 A494 K495 L497	N421-T491 HydrophobicContact CB-CG2 4.14Å; N421-T491 WeakPolarHBondContact O-CA 3.44Å; N421-T491 WeakPolarHBondContact O-CG2 3.43Å; T491-D493 PolarHBondContact O-N 2.83Å; T491-D493 VanDerWaalsContact O-N 3.16Å; T491-D493 PolarHBondContact OG1-N 3.46Å; T491-A494 PolarHBondContact O-N 2.65Å; T491-A494 PolarHBondContact OG1-N 3.14Å; T491-K495 HydrophobicContact CG2-CB 4.08Å; T491-K495 PolarHBondContact N-O 3.22Å; T491-K495 WeakPolarHBondContact OG1-CB 3.47Å; T491-K495 PolarHBondContact OG1-N 3.44Å; T491-L497 HydrophobicContact CG2-CD1 3.87Å; T491-L497 HydrophobicContact CG2-CD2 3.69Å; T491-L497 HydrophobicContact CG2-CG 3.81Å
492	E	97	Very high	98.2	Very high	104 Å²	104	32.4 Å²	32.4	49%	0.486	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.8	169.2	-64	-174	127.1	0	0	113.5	F423 Y424 A494 K558	F423-E492 HydrophobicContact CB-CG 3.87Å; F423-E492 HydrophobicContact CD1-CG 3.69Å; F423-E492 HydrophobicContact CD2-CG 3.6Å; F423-E492 HydrophobicContact CE1-CG 4.09Å; F423-E492 HydrophobicContact CE2-CG 4Å; F423-E492 VanDerWaalsContact CE2-OE1 3.27Å; F423-E492 WeakPolarHBondContact CE2-OE1 3.3Å; F423-E492 HydrophobicContact CG-CG 3.42Å; F423-E492 VanDerWaalsContact CG-CG 3.42Å; F423-E492 HydrophobicContact CZ-CG 4.22Å; F423-E492 WeakPolarHBondContact CZ-OE1 3.2Å; Y424-E492 HydrophobicContact CE2-CG 4.37Å; E492-A494 PolarHBondContact O-N 2.9Å; E492-K558 PolarHBondContact O-NZ 3.1Å
493	D	96.6	Very high	98.3	Very high	108 Å²	108	32.1 Å²	32.1	58%	0.578	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	13.1	175	-63.7	-40.4	0	0	0	114.5	T491 K495	T491-D493 PolarHBondContact O-N 2.83Å; T491-D493 VanDerWaalsContact O-N 3.16Å; T491-D493 PolarHBondContact OG1-N 3.46Å; D493-K495 VanDerWaalsContact C-N 3.27Å; D493-K495 PolarHBondContact O-N 3.49Å
494	A	97.7	Very high	98.2	Very high	9 Å²	9	32.1 Å²	32.1	7%	0.074	16%	0.159	C	C	.	.			trans	61.1	25.8	-178.3	0	0	0	0	0	115.9	T491 E492 L555 K558 M559	T491-A494 PolarHBondContact O-N 2.65Å; T491-A494 PolarHBondContact OG1-N 3.14Å; E492-A494 PolarHBondContact O-N 2.9Å; A494-L555 HydrophobicContact CB-CB 4.04Å; A494-L555 HydrophobicContact CB-CD2 3.79Å; A494-L555 VanDerWaalsContact CB-O 3.29Å; A494-L555 WeakPolarHBondContact CB-O 3.49Å; A494-K558 HydrophobicContact CB-CB 3.6Å; A494-K558 HydrophobicContact CB-CD 4.1Å; A494-M559 HydrophobicContact CB-CG 3.8Å
495	K	97.9	Very high	98.1	Very high	133 Å²	133	32.2 Å²	32.2	58%	0.578	16%	0.159	S	C	*	.			trans	-86	123.1	171.4	-64	174.2	-176.9	160.2	0	109.6	V490 T491 D493 L497	V490-K495 WeakPolarHBondContact CA-O 3.1Å; T491-K495 HydrophobicContact CG2-CB 4.08Å; T491-K495 PolarHBondContact N-O 3.22Å; T491-K495 WeakPolarHBondContact OG1-CB 3.47Å; T491-K495 PolarHBondContact OG1-N 3.44Å; D493-K495 VanDerWaalsContact C-N 3.27Å; D493-K495 PolarHBondContact O-N 3.49Å; K495-L497 PolarHBondContact O-N 3.35Å
496	I	98.3	Very high	98	Very high	63 Å²	63	32.2 Å²	32.2	32%	0.323	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	119.6	173.1	-61.2	170.7	0	0	0	108.6	F488 V490 M559 A608	F488-I496 HydrophobicContact CB-CG2 4.48Å; F488-I496 HydrophobicContact CD1-CD1 3.89Å; F488-I496 HydrophobicContact CD1-CG1 4.26Å; F488-I496 HydrophobicContact CD1-CG2 3.72Å; F488-I496 HydrophobicContact CE1-CD1 4.03Å; F488-I496 HydrophobicContact CE1-CG2 4.46Å; F488-I496 HydrophobicContact CG-CD1 4.39Å; V490-I496 HydrophobicContact CG2-CG1 4.41Å; I496-M559 HydrophobicContact CD1-CE 4.16Å; I496-A608 HydrophobicContact CD1-CB 4.09Å
497	L	98.1	Very high	98	Very high	51 Å²	51	37.1 Å²	37.1	27%	0.267	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-43.1	-179.9	-62.2	179.8	0	0	0	112	Y419 R420 A422 T489 T491 K495	Y419-L497 HydrophobicContact CD1-CB 4.17Å; Y419-L497 WeakPolarHBondContact CE1-O 3.35Å; R420-L497 WeakPolarHBondContact O-CD1 3.26Å; A422-L497 HydrophobicContact CB-CD1 3.81Å; T489-L497 HydrophobicContact CG2-CB 4.45Å; T489-L497 HydrophobicContact CG2-CD1 4.35Å; T489-L497 PolarHBondContact O-N 2.92Å; T491-L497 HydrophobicContact CG2-CD1 3.87Å; T491-L497 HydrophobicContact CG2-CD2 3.69Å; T491-L497 HydrophobicContact CG2-CG 3.81Å; K495-L497 PolarHBondContact O-N 3.35Å
498	T	98.1	Very high	98	Very high	39 Å²	39	36.8 Å²	36.8	24%	0.239	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159.4	177.5	-170.5	0	0	0	0	110.6	L414 Y419 T489	L414-T498 HydrophobicContact CD2-CG2 4.5Å; Y419-T498 HydrophobicContact CD2-CG2 4.48Å; Y419-T498 HydrophobicContact CE1-CG2 4.49Å; Y419-T498 HydrophobicContact CE2-CG2 4.36Å; T489-T498 HydrophobicContact CG2-CG2 4.41Å; T489-T498 PolarHBondContact N-O 3.01Å; T489-T498 WeakPolarHBondContact OG1-CG2 3.39Å
499	T	98.5	Very high	97.9	Very high	31 Å²	31	37 Å²	37	19%	0.19	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123	-176.1	-51.4	0	0	0	0	109.8	V486 V487 F488 F501	V486-T499 HydrophobicContact CG1-CG2 3.32Å; V487-T499 CarbonylContact O-C 3.56Å; V487-T499 WeakPolarHBondContact O-CA 3.47Å; F488-T499 HydrophobicContact CD1-CG2 3.76Å; F488-T499 WeakPolarHBondContact CD1-OG1 3.39Å; F488-T499 HydrophobicContact CE1-CG2 3.55Å; F488-T499 HydrophobicContact CZ-CG2 4.45Å; T499-F501 HydrophobicContact CG2-CD2 4.38Å; T499-F501 HydrophobicContact CG2-CE1 4.02Å; T499-F501 HydrophobicContact CG2-CE2 3.71Å; T499-F501 HydrophobicContact CG2-CZ 3.52Å
500	W	98.4	Very high	97.9	Very high	95 Å²	95	36.3 Å²	36.3	36%	0.36	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	145.1	170.5	176.7	85.9	0	0	0	110.4	K379 F381 V486 V487 G502 T504	K379-W500 HydrophobicContact CB-CH2 3.83Å; K379-W500 HydrophobicContact CB-CZ2 4.24Å; K379-W500 HydrophobicContact CD-CH2 3.85Å; K379-W500 HydrophobicContact CD-CZ2 4.01Å; K379-W500 HydrophobicContact CD-CZ3 4.25Å; K379-W500 HydrophobicContact CG-CH2 4.46Å; F381-W500 HydrophobicContact CE2-CZ3 4.25Å; V486-W500 WeakPolarHBondContact CA-O 3.36Å; V487-W500 HydrophobicContact CB-CB 4.41Å; V487-W500 HydrophobicContact CB-CE3 3.91Å; V487-W500 HydrophobicContact CG2-CE3 3.6Å; V487-W500 HydrophobicContact CG2-CZ3 3.92Å; V487-W500 PolarHBondContact N-O 3.21Å; V487-W500 PolarHBondContact O-N 3.07Å; W500-G502 VanDerWaalsContact CH2-CA 3.49Å; W500-T504 HydrophobicContact CH2-CG2 3.9Å; W500-T504 HydrophobicContact CZ3-CG2 3.88Å
501	F	98.6	Very high	97.8	Very high	10 Å²	10	38.7 Å²	38.7	4%	0.044	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.3	175.5	-55.3	-94.3	0	0	0	108.6	S485 V486 T499 V613 R616 L786 L790	S485-F501 WeakPolarHBondContact O-CA 3.34Å; V486-F501 HydrophobicContact CB-CD1 4.41Å; V486-F501 HydrophobicContact CB-CE1 4.46Å; V486-F501 HydrophobicContact CG1-CD1 4.06Å; V486-F501 HydrophobicContact CG1-CE1 3.75Å; V486-F501 HydrophobicContact CG1-CZ 4.41Å; V486-F501 HydrophobicContact CG2-CD1 3.85Å; V486-F501 HydrophobicContact CG2-CE1 3.96Å; T499-F501 HydrophobicContact CG2-CD2 4.38Å; T499-F501 HydrophobicContact CG2-CE1 4.02Å; T499-F501 HydrophobicContact CG2-CE2 3.71Å; T499-F501 HydrophobicContact CG2-CZ 3.52Å; F501-V613 HydrophobicContact CD1-CG2 4.05Å; F501-V613 HydrophobicContact CE1-CB 4.49Å; F501-V613 HydrophobicContact CE1-CG2 3.64Å; F501-R616 HydrophobicContact CE2-CB 4.41Å; F501-R616 HydrophobicContact CE2-CG 4.49Å; F501-R616 HydrophobicContact CZ-CB 4.28Å; F501-L786 HydrophobicContact CB-CD1 4.45Å; F501-L786 HydrophobicContact CB-CD2 4.37Å; F501-L786 HydrophobicContact CD1-CD1 4.4Å; F501-L786 HydrophobicContact CD1-CD2 4.02Å; F501-L786 HydrophobicContact CG-CD1 4.4Å; F501-L790 HydrophobicContact CB-CD2 4.29Å
502	G	98.2	Very high	97.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	168.3	172.3	0	0	0	0	0	112.6	S485 W500	S485-G502 PolarHBondContact N-O 2.96Å; S485-G502 PolarHBondContact O-N 3.37Å; S485-G502 VanDerWaalsContact O-N 3.13Å; W500-G502 VanDerWaalsContact CH2-CA 3.49Å
503	R	98.1	Very high	97.7	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141.2	174.7	-81.3	-176.7	164.4	148.1	10.5	111.4	R378 K379 D432 S434 A483 F484 W802 Y803 T806	R378-R503 WeakPolarHBondContact CA-O 3.38Å; R378-R503 HydrophobicContact CG-CB 4.33Å; K379-R503 PolarHBondContact N-O 3.05Å; D432-R503 IonicContact OD1-CZ 3.49Å; D432-R503 IonicContact OD1-NE 3.46Å; D432-R503 PolarHBondContact OD1-NE 3.22Å; D432-R503 VanDerWaalsContact OD1-NE 3.1Å; D432-R503 IonicContact OD1-NH2 3Å; D432-R503 PolarHBondContact OD1-NH2 2.96Å; D432-R503 VanDerWaalsContact OD2-CD 3.27Å; D432-R503 WeakPolarHBondContact OD2-CD 3.35Å; D432-R503 IonicContact OD2-CZ 2.66Å; D432-R503 IonicContact OD2-NE 3.08Å; D432-R503 PolarHBondContact OD2-NE 3.24Å; S434-R503 PolarHBondContact OG-NH2 2.65Å; A483-R503 CarbonylContact O-C 3.51Å; A483-R503 WeakPolarHBondContact O-CA 3.46Å; F484-R503 HydrophobicContact CD1-CG 4.4Å; F484-R503 HydrophobicContact CD2-CG 4.39Å; F484-R503 HydrophobicContact CG-CG 4.23Å; R503-W802 HydrophobicContact CB-CH2 3.46Å; R503-W802 VanDerWaalsContact CB-CH2 3.46Å; R503-W802 HydrophobicContact CB-CZ3 3.94Å; R503-W802 HydrophobicContact CG-CH2 4.04Å; R503-W802 HydrophobicContact CG-CZ3 4.43Å; R503-Y803 HydrophobicContact CB-CE1 4.37Å; R503-Y803 HydrophobicContact CG-CE1 4.21Å; R503-Y803 PolarHBondContact N-OH 3.21Å; R503-T806 PolarHBondContact NH1-OG1 3.19Å; R503-T806 VanDerWaalsContact NH2-CG2 3.28Å; R503-T806 PolarHBondContact NH2-OG1 3.4Å
504	T	98.1	Very high	97.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	166.2	-169.7	54.4	0	0	0	0	111.4	R378 K379 F381 A483 S485 W500	R378-T504 PolarHBondContact NH1-O 2.93Å; K379-T504 HydrophobicContact CB-CG2 4.22Å; K379-T504 CarbonylContact O-C 3.56Å; K379-T504 WeakPolarHBondContact O-CA 3.42Å; K379-T504 WeakPolarHBondContact O-CB 3.41Å; F381-T504 HydrophobicContact CD2-CG2 3.51Å; F381-T504 HydrophobicContact CE2-CG2 3.46Å; F381-T504 VanDerWaalsContact CE2-CG2 3.46Å; A483-T504 WeakPolarHBondContact CB-OG1 3.23Å; A483-T504 PolarHBondContact N-O 2.72Å; A483-T504 PolarHBondContact O-N 3.2Å; A483-T504 PolarHBondContact O-OG1 2.72Å; S485-T504 VanDerWaalsContact OG-CG2 3.31Å; S485-T504 WeakPolarHBondContact OG-CG2 3.37Å; S485-T504 PolarHBondContact OG-OG1 3.17Å; W500-T504 HydrophobicContact CH2-CG2 3.9Å; W500-T504 HydrophobicContact CZ3-CG2 3.88Å
505	F	95.6	Very high	97.5	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.5	168.4	-165.7	-148.5	0	0	0	109.1	F375 K379 F381 R382 D480 K481 L482	F375-F505 AromaticContact CD1-CD1 3.77Å; F375-F505 HydrophobicContact CD1-CD1 3.77Å; F375-F505 AromaticContact CD1-CE1 3.85Å; F375-F505 HydrophobicContact CD1-CE1 3.85Å; F375-F505 HydrophobicContact CD1-CG 4.15Å; F375-F505 HydrophobicContact CD1-CZ 4.33Å; F375-F505 AromaticContact CE1-CD1 3.45Å; F375-F505 HydrophobicContact CE1-CD1 3.45Å; F375-F505 VanDerWaalsContact CE1-CD1 3.45Å; F375-F505 AromaticContact CE1-CD2 3.89Å; F375-F505 HydrophobicContact CE1-CD2 3.89Å; F375-F505 AromaticContact CE1-CE1 3.12Å; F375-F505 HydrophobicContact CE1-CE1 3.12Å; F375-F505 AromaticContact CE1-CE2 3.65Å; F375-F505 HydrophobicContact CE1-CE2 3.65Å; F375-F505 AromaticContact CE1-CG 3.81Å; F375-F505 HydrophobicContact CE1-CG 3.81Å; F375-F505 AromaticContact CE1-CZ 3.23Å; F375-F505 HydrophobicContact CE1-CZ 3.23Å; F375-F505 HydrophobicContact CE2-CE1 4.07Å; F375-F505 HydrophobicContact CE2-CZ 4.39Å; F375-F505 HydrophobicContact CZ-CD1 4.05Å; F375-F505 AromaticContact CZ-CE1 3.26Å; F375-F505 HydrophobicContact CZ-CE1 3.26Å; F375-F505 HydrophobicContact CZ-CE2 4.08Å; F375-F505 AromaticContact CZ-CZ 3.27Å; F375-F505 HydrophobicContact CZ-CZ 3.27Å; K379-F505 PolarHBondContact O-N 3.16Å; F381-F505 PolarHBondContact N-O 3.39Å; R382-F505 VanDerWaalsContact CD-CD1 3.45Å; R382-F505 VanDerWaalsContact CD-CE1 3.49Å; R382-F505 HydrophobicContact CG-CD1 4.15Å; R382-F505 HydrophobicContact CG-CG 4.4Å; R382-F505 PolarHBondContact N-O 3.4Å; D480-F505 HydrophobicContact CB-CE1 4.29Å; D480-F505 HydrophobicContact CB-CE2 3.58Å; D480-F505 HydrophobicContact CB-CZ 3.33Å; D480-F505 VanDerWaalsContact CG-CZ 3.41Å; D480-F505 VanDerWaalsContact OD2-CZ 3.29Å; D480-F505 WeakPolarHBondContact OD2-CZ 3.45Å; K481-F505 VanDerWaalsContact O-CD2 3.25Å; K481-F505 WeakPolarHBondContact O-CD2 3.39Å; L482-F505 HydrophobicContact CD2-CD2 3.76Å; L482-F505 HydrophobicContact CD2-CE2 3.98Å
506	I	97.7	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	161.9	-174.7	63.3	160.3	0	0	0	110.4	F381 V386 A400 H429 L475 K481 A483	F381-I506 HydrophobicContact CB-CG2 3.97Å; V386-I506 HydrophobicContact CG1-CB 4.45Å; V386-I506 HydrophobicContact CG1-CD1 3.97Å; A400-I506 HydrophobicContact CB-CD1 4.11Å; H429-I506 HydrophobicContact CB-CD1 3.88Å; H429-I506 HydrophobicContact CB-CG2 4.3Å; L475-I506 HydrophobicContact CD1-CD1 4.04Å; L475-I506 HydrophobicContact CD2-CD1 4.03Å; L475-I506 HydrophobicContact CG-CD1 4.47Å; K481-I506 HydrophobicContact CB-CG1 4.31Å; K481-I506 PolarHBondContact N-O 3.13Å; K481-I506 PolarHBondContact O-N 3.38Å; A483-I506 HydrophobicContact CB-CD1 4.28Å; A483-I506 HydrophobicContact CB-CG1 4.23Å
507	R	97.9	Very high	97.3	Very high	103 Å²	103	26.4 Å²	26.4	39%	0.389	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	109.7	166.2	-177.9	174.9	-62	175.8	-1.7	107.1	R382 D480 C509	R382-R507 HydrophobicContact CB-CB 4.22Å; R382-R507 HydrophobicContact CG-CB 4.07Å; D480-R507 IonicContact OD1-CZ 2.63Å; D480-R507 IonicContact OD1-NE 2.9Å; D480-R507 PolarHBondContact OD1-NE 2.96Å; D480-R507 IonicContact OD1-NH2 3.93Å; D480-R507 PolarHBondContact OD1-NH2 2.93Å; D480-R507 IonicContact OD2-NH2 3.61Å; D480-R507 PolarHBondContact OD2-NH2 2.96Å; D480-R507 VanDerWaalsContact OD2-NH2 3.08Å; R507-C509 PolarHBondContact O-N 3.36Å
508	S	98.2	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.7	174.1	-178.5	0	0	0	0	108.2	V386 P477 G478 C510	V386-S508 CarbonylContact O-C 3.53Å; V386-S508 VanDerWaalsContact O-CA 3.32Å; V386-S508 WeakPolarHBondContact O-CA 3.42Å; P477-S508 CarbonylContact C-O 3.54Å; P477-S508 VanDerWaalsContact CA-O 3.28Å; P477-S508 WeakPolarHBondContact CA-O 3.14Å; G478-S508 PolarHBondContact N-O 3.06Å; S508-C510 PolarHBondContact OG-O 3.46Å
509	C	97.8	Very high	97	Very high	5 Å²	5	23 Å²	23	3%	0.034	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-19.8	179.9	59.9	0	0	0	0	112.5	V386 R507 V536 D537 Y540 I545	V386-C509 PolarHBondContact O-N 3.39Å; V386-C509 PolarHBondContact O-SG 3.22Å; R507-C509 PolarHBondContact O-N 3.36Å; C509-V536 HydrophobicContact CB-CG1 4.35Å; C509-V536 WeakPolarHBondContact O-CA 3.49Å; C509-D537 HydrophobicContact CB-CB 4.41Å; C509-D537 PolarHBondContact O-N 3Å; C509-Y540 HydrophobicContact CB-CD2 4.23Å; C509-I545 WeakPolarHBondContact SG-CD1 3.09Å
510	C	97.5	Very high	97	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	159.4	172	64.2	0	0	0	0	112.3	F387 T388 S508 V534 K535 V536	F387-C510 WeakPolarHBondContact CA-O 3.15Å; F387-C510 WeakPolarHBondContact CB-O 3.49Å; T388-C510 PolarHBondContact N-O 3.39Å; S508-C510 PolarHBondContact OG-O 3.46Å; C510-V534 HydrophobicContact CB-CG1 3.88Å; C510-K535 WeakPolarHBondContact CB-O 3.33Å; C510-V536 HydrophobicContact CB-CG2 4.13Å
511	K	97	Very high	96.9	Very high	51 Å²	51	18 Å²	18	22%	0.222	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.1	163.8	176.4	-169.1	174.2	-168.3	0	107.9	P391 S392 A394 L397 P477	P391-K511 PolarHBondContact O-NZ 2.91Å; S392-K511 PolarHBondContact O-NZ 3.4Å; A394-K511 PolarHBondContact O-NZ 3.2Å; L397-K511 HydrophobicContact CD1-CD 4.14Å; L397-K511 HydrophobicContact CD1-CG 4.29Å; L397-K511 HydrophobicContact CD2-CD 4.01Å; L397-K511 HydrophobicContact CD2-CG 4.39Å; P477-K511 HydrophobicContact CG-CB 4.29Å
512	L	97.9	Very high	96.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	144	170.6	-59.2	175.6	0	0	0	109.8	F387 T388 I389 D390 D516 A517 F520 V534 I545 V549	F387-L512 HydrophobicContact CD2-CD1 4.03Å; F387-L512 HydrophobicContact CE2-CD1 4.36Å; T388-L512 WeakPolarHBondContact O-CB 3.34Å; T388-L512 PolarHBondContact O-N 2.91Å; I389-L512 WeakPolarHBondContact CA-O 3.35Å; I389-L512 HydrophobicContact CD1-CD1 4.43Å; I389-L512 HydrophobicContact CG1-CB 4.22Å; I389-L512 HydrophobicContact CG1-CD1 4.18Å; D390-L512 PolarHBondContact N-O 3.05Å; L512-D516 HydrophobicContact CB-CB 4.26Å; L512-D516 HydrophobicContact CD2-CB 4.18Å; L512-A517 HydrophobicContact CD1-CB 4.5Å; L512-F520 HydrophobicContact CD1-CD2 4.48Å; L512-F520 HydrophobicContact CD1-CE2 3.89Å; L512-F520 HydrophobicContact CD2-CE2 3.98Å; L512-F520 HydrophobicContact CD2-CZ 4.29Å; L512-V534 HydrophobicContact CD2-CB 4.33Å; L512-V534 HydrophobicContact CD2-CG1 4.14Å; L512-V534 HydrophobicContact CD2-CG2 3.98Å; L512-I545 HydrophobicContact CD1-CG2 3.75Å; L512-I545 HydrophobicContact CD2-CG2 4.35Å; L512-I545 HydrophobicContact CG-CG2 4.44Å; L512-V549 HydrophobicContact CD1-CG2 3.83Å
513	S	96.3	Very high	96.5	Very high	12 Å²	12	23.1 Å²	23.1	8%	0.084	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	162.4	159.4	67.9	0	0	0	0	111.2	D390 E515 D516 A517	D390-S513 CarbonylContact O-C 3.57Å; D390-S513 WeakPolarHBondContact O-CA 3.2Å; S513-E515 PolarHBondContact O-N 3.42Å; S513-D516 WeakPolarHBondContact CB-OD2 3.24Å; S513-D516 PolarHBondContact N-OD2 3.24Å; S513-D516 PolarHBondContact O-N 3.39Å; S513-D516 PolarHBondContact OG-N 2.98Å; S513-D516 PolarHBondContact OG-OD1 2.99Å; S513-D516 PolarHBondContact OG-OD2 3Å; S513-A517 PolarHBondContact O-N 2.92Å; S513-A517 VanDerWaalsContact O-N 3.08Å
514	Y	95.3	Very high	96.4	Very high	32 Å²	32	25.7 Å²	25.7	13%	0.125	13%	0.127	C	C	.	.	H	α-helix	trans	-59.5	-31.8	169.8	-75.3	-67.8	0	0	0	112	I389 D390 P391 Q518 S598 N599 I602	I389-Y514 HydrophobicContact CG2-CD1 3.75Å; I389-Y514 HydrophobicContact CG2-CE1 4.01Å; I389-Y514 HydrophobicContact CG2-CG 4.32Å; D390-Y514 PolarHBondContact O-N 3.3Å; P391-Y514 HydrophobicContact CG-CD2 4.41Å; P391-Y514 HydrophobicContact CG-CE2 4.06Å; Y514-Q518 VanDerWaalsContact O-CB 3.23Å; Y514-Q518 WeakPolarHBondContact O-CB 3.28Å; Y514-Q518 PolarHBondContact O-N 3.16Å; Y514-S598 WeakPolarHBondContact O-CB 3.48Å; Y514-S598 PolarHBondContact O-OG 3.05Å; Y514-N599 HydrophobicContact CD1-CB 4.37Å; Y514-N599 WeakPolarHBondContact CD1-ND2 3.49Å; Y514-N599 WeakPolarHBondContact CD2-ND2 3.13Å; Y514-N599 HydrophobicContact CE1-CB 4.28Å; Y514-N599 VanDerWaalsContact CE1-ND2 3.26Å; Y514-N599 WeakPolarHBondContact CE1-ND2 3.32Å; Y514-I602 HydrophobicContact CE1-CB 4.27Å; Y514-I602 HydrophobicContact CE1-CG1 3.91Å
515	E	93.4	Very high	96.2	Very high	89 Å²	89	33.2 Å²	33.2	42%	0.416	17%	0.167	S	C	.	.	H	α-helix	trans	-67.1	-43.5	174.7	-66.2	67	-147.2	0	0	111.2	S513 Q518 G519	S513-E515 PolarHBondContact O-N 3.42Å; E515-Q518 PolarHBondContact O-N 3.36Å; E515-G519 PolarHBondContact O-N 3.19Å
516	D	95.4	Very high	96	Very high	34 Å²	34	38.9 Å²	38.9	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-49.7	177.5	-61.4	-39.1	0	0	0	111.4	L512 S513 Q518 G519 F520 F533 V534	L512-D516 HydrophobicContact CB-CB 4.26Å; L512-D516 HydrophobicContact CD2-CB 4.18Å; S513-D516 WeakPolarHBondContact CB-OD2 3.24Å; S513-D516 PolarHBondContact N-OD2 3.24Å; S513-D516 PolarHBondContact O-N 3.39Å; S513-D516 PolarHBondContact OG-N 2.98Å; S513-D516 PolarHBondContact OG-OD1 2.99Å; S513-D516 PolarHBondContact OG-OD2 3Å; D516-Q518 VanDerWaalsContact C-N 3.3Å; D516-Q518 PolarHBondContact O-N 2.94Å; D516-G519 PolarHBondContact O-N 3.28Å; D516-G519 VanDerWaalsContact O-N 3.13Å; D516-F520 PolarHBondContact O-N 3.37Å; D516-F533 HydrophobicContact CB-CE1 3.62Å; D516-F533 HydrophobicContact CB-CZ 3.92Å; D516-F533 WeakPolarHBondContact OD1-CZ 3.27Å; D516-V534 HydrophobicContact CB-CG2 4.33Å
517	A	97.4	Very high	95.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-34.8	178.2	0	0	0	0	0	112.3	I389 L512 S513 G519 F520 I521 V549	I389-A517 HydrophobicContact CD1-CB 3.81Å; I389-A517 HydrophobicContact CG1-CB 4.48Å; I389-A517 HydrophobicContact CG2-CB 3.82Å; L512-A517 HydrophobicContact CD1-CB 4.5Å; S513-A517 PolarHBondContact O-N 2.92Å; S513-A517 VanDerWaalsContact O-N 3.08Å; A517-G519 VanDerWaalsContact C-N 3.34Å; A517-F520 PolarHBondContact O-N 2.79Å; A517-I521 WeakPolarHBondContact O-CG1 3.29Å; A517-I521 PolarHBondContact O-N 2.72Å; A517-V549 HydrophobicContact CB-CG1 4.3Å
518	Q	95.8	Very high	95.2	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.023	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-40.4	173.4	-174.8	65.1	41.6	0	0	110.9	Y514 E515 D516 F520 I521 D522 K596 Q597	Y514-Q518 VanDerWaalsContact O-CB 3.23Å; Y514-Q518 WeakPolarHBondContact O-CB 3.28Å; Y514-Q518 PolarHBondContact O-N 3.16Å; E515-Q518 PolarHBondContact O-N 3.36Å; D516-Q518 VanDerWaalsContact C-N 3.3Å; D516-Q518 PolarHBondContact O-N 2.94Å; Q518-F520 VanDerWaalsContact C-N 3.28Å; Q518-F520 PolarHBondContact O-N 3.34Å; Q518-I521 WeakPolarHBondContact O-CB 3.29Å; Q518-I521 PolarHBondContact O-N 2.9Å; Q518-D522 VanDerWaalsContact CG-OD2 3.29Å; Q518-D522 WeakPolarHBondContact CG-OD2 3.28Å; Q518-D522 PolarHBondContact NE2-OD1 3.2Å; Q518-D522 PolarHBondContact NE2-OD2 3.5Å; Q518-D522 PolarHBondContact O-N 2.92Å; Q518-K596 HydrophobicContact CB-CD 4.24Å; Q518-K596 HydrophobicContact CG-CB 4.4Å; Q518-K596 HydrophobicContact CG-CD 4Å; Q518-Q597 VanDerWaalsContact OE1-N 3.1Å
519	G	94.9	Very high	94.5	Very high	14 Å²	14	42.3 Å²	42.3	14%	0.144	22%	0.22	C	C	.	.	H	α-helix	trans	-53.6	-44.3	174.4	0	0	0	0	0	112.4	E515 D516 A517 D522 H523 W528	E515-G519 PolarHBondContact O-N 3.19Å; D516-G519 PolarHBondContact O-N 3.28Å; D516-G519 VanDerWaalsContact O-N 3.13Å; A517-G519 VanDerWaalsContact C-N 3.34Å; G519-D522 PolarHBondContact O-N 3.12Å; G519-H523 PolarHBondContact O-N 3.37Å; G519-W528 VanDerWaalsContact O-CZ2 3.29Å; G519-W528 WeakPolarHBondContact O-CZ2 3.5Å
520	F	96.8	Very high	93.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-43.3	174.7	-60.6	-25.4	0	0	0	112.8	L512 D516 A517 Q518 H523 P524 W528 F533 I542 I545 C546 V549	L512-F520 HydrophobicContact CD1-CD2 4.48Å; L512-F520 HydrophobicContact CD1-CE2 3.89Å; L512-F520 HydrophobicContact CD2-CE2 3.98Å; L512-F520 HydrophobicContact CD2-CZ 4.29Å; D516-F520 PolarHBondContact O-N 3.37Å; A517-F520 PolarHBondContact O-N 2.79Å; Q518-F520 VanDerWaalsContact C-N 3.28Å; Q518-F520 PolarHBondContact O-N 3.34Å; F520-H523 CarbonylContact O-C 3.58Å; F520-P524 WeakPolarHBondContact O-CA 3.43Å; F520-W528 AromaticContact CD1-CD1 4Å; F520-W528 AromaticContact CD1-CD2 3.93Å; F520-W528 HydrophobicContact CD1-CD2 3.93Å; F520-W528 AromaticContact CD1-CE2 3.62Å; F520-W528 HydrophobicContact CD1-CG 4.16Å; F520-W528 HydrophobicContact CD1-CZ2 4Å; F520-W528 AromaticContact CD1-NE1 3.68Å; F520-W528 HydrophobicContact CE1-CB 4.48Å; F520-W528 AromaticContact CE1-CD2 3.81Å; F520-W528 HydrophobicContact CE1-CD2 3.81Å; F520-W528 HydrophobicContact CE1-CE3 4.26Å; F520-W528 AromaticContact CE1-CG 3.9Å; F520-W528 HydrophobicContact CE1-CG 3.9Å; F520-F533 HydrophobicContact CD1-CE1 4.41Å; F520-F533 AromaticContact CE1-CD1 3.91Å; F520-F533 HydrophobicContact CE1-CD1 3.91Å; F520-F533 AromaticContact CE1-CE1 3.62Å; F520-F533 HydrophobicContact CE1-CE1 3.62Å; F520-F533 HydrophobicContact CZ-CD1 4.05Å; F520-F533 AromaticContact CZ-CE1 3.85Å; F520-F533 HydrophobicContact CZ-CE1 3.85Å; F520-I542 HydrophobicContact CE1-CD1 4.43Å; F520-I542 HydrophobicContact CE1-CG1 4.35Å; F520-I542 HydrophobicContact CZ-CD1 3.76Å; F520-I542 HydrophobicContact CZ-CG1 4.12Å; F520-I545 HydrophobicContact CE2-CG2 4Å; F520-C546 HydrophobicContact CD1-CB 4.1Å; F520-C546 HydrophobicContact CD2-CB 4.32Å; F520-C546 HydrophobicContact CE1-CB 4.38Å; F520-C546 HydrophobicContact CG-CB 4.07Å; F520-V549 HydrophobicContact CB-CG1 4.37Å; F520-V549 HydrophobicContact CD2-CB 4.09Å; F520-V549 HydrophobicContact CD2-CG1 4.21Å; F520-V549 HydrophobicContact CD2-CG2 4.03Å; F520-V549 HydrophobicContact CE2-CG2 4.46Å
521	I	96.7	Very high	92.3	Very high	20 Å²	20	49.3 Å²	49.3	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-41	-179.7	-68.7	166.9	0	0	0	111.4	A517 Q518 V549 N553 Q597	A517-I521 WeakPolarHBondContact O-CG1 3.29Å; A517-I521 PolarHBondContact O-N 2.72Å; Q518-I521 WeakPolarHBondContact O-CB 3.29Å; Q518-I521 PolarHBondContact O-N 2.9Å; I521-V549 HydrophobicContact CG1-CG1 4.39Å; I521-N553 HydrophobicContact CD1-CB 4.22Å; I521-N553 HydrophobicContact CG1-CB 4.32Å; I521-Q597 HydrophobicContact CD1-CB 4.2Å; I521-Q597 HydrophobicContact CG2-CB 4.45Å; I521-Q597 VanDerWaalsContact CG2-OE1 3.31Å
522	D	94.8	Very high	91	Very high	43 Å²	43	50.5 Å²	50.5	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-78.8	-27.6	-177.3	-67.3	-29	0	0	0	113	Q518 G519 V712	Q518-D522 VanDerWaalsContact CG-OD2 3.29Å; Q518-D522 WeakPolarHBondContact CG-OD2 3.28Å; Q518-D522 PolarHBondContact NE2-OD1 3.2Å; Q518-D522 PolarHBondContact NE2-OD2 3.5Å; Q518-D522 PolarHBondContact O-N 2.92Å; G519-D522 PolarHBondContact O-N 3.12Å; D522-V712 WeakPolarHBondContact OD2-CG2 3.47Å
523	H	95.1	Very high	89.8	Confident	74 Å²	74	53.7 Å²	53.7	34%	0.343	31%	0.31	S	S	.	.			trans	-129.9	67.3	-179	-52.6	-49.5	0	0	0	112	G519 F520 D525 R526 W528	G519-H523 PolarHBondContact O-N 3.37Å; F520-H523 CarbonylContact O-C 3.58Å; H523-D525 VanDerWaalsContact C-N 3.26Å; H523-D525 PolarHBondContact O-N 3.45Å; H523-R526 HydrophobicContact CB-CB 3.83Å; H523-R526 WeakPolarHBondContact O-CB 3.47Å; H523-R526 PolarHBondContact O-N 3.49Å; H523-W528 HydrophobicContact CB-CZ2 4.05Å; H523-W528 PolarHBondContact O-NE1 2.83Å
524	P	94.3	Very high	89.3	Confident	55 Å²	55	54.5 Å²	54.5	36%	0.357	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.2	-174.4	25.7	-35.4	0	0	0	113.6	F520 L550	F520-P524 WeakPolarHBondContact O-CA 3.43Å; P524-L550 HydrophobicContact CB-CD1 3.64Å; P524-L550 HydrophobicContact CB-CD2 3.99Å; P524-L550 HydrophobicContact CB-CG 4.49Å
525	D	93.6	Very high	89	Confident	158 Å²	158	61.1 Å²	61.1	85%	0.845	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-0.4	-177.6	-56	-49.3	0	0	0	113.2	H523	H523-D525 VanDerWaalsContact C-N 3.26Å; H523-D525 PolarHBondContact O-N 3.45Å
526	R	91.8	Very high	89	Confident	122 Å²	122	58.3 Å²	58.3	46%	0.46	33%	0.333	S	S	.	.	S	Bend	trans	-72.3	136.4	178.6	178.2	177.1	179.4	-178.9	1.3	110	H523 W528	H523-R526 HydrophobicContact CB-CB 3.83Å; H523-R526 WeakPolarHBondContact O-CB 3.47Å; H523-R526 PolarHBondContact O-N 3.49Å; R526-W528 HydrophobicContact CB-CZ2 4.32Å; R526-W528 HydrophobicContact CG-CD2 4.37Å; R526-W528 HydrophobicContact CG-CZ2 4.39Å; R526-W528 PolarHBondContact O-N 2.8Å; R526-W528 PolarHBondContact O-NE1 2.63Å
527	D	89.2	Confident	88.9	Confident	90 Å²	90	58.9 Å²	58.9	48%	0.481	34%	0.336	S	S	.	.			trans	-77	113.1	167.9	-173	0.9	0	0	0	109.8	S529	D527-S529 WeakPolarHBondContact OD1-CB 3.32Å; D527-S529 PolarHBondContact OD1-N 3.49Å; D527-S529 PolarHBondContact OD1-OG 2.9Å; D527-S529 PolarHBondContact OD2-OG 2.81Å
528	W	89.3	Confident	88.7	Confident	6 Å²	6	67.8 Å²	67.8	2%	0.023	38%	0.377	C	S	.	.			trans	-93.4	-3.9	-179.6	-63.5	95.2	0	0	0	112.9	G519 F520 H523 R526 S530 S531 F533 I542 M543	G519-W528 VanDerWaalsContact O-CZ2 3.29Å; G519-W528 WeakPolarHBondContact O-CZ2 3.5Å; F520-W528 AromaticContact CD1-CD1 4Å; F520-W528 AromaticContact CD1-CD2 3.93Å; F520-W528 HydrophobicContact CD1-CD2 3.93Å; F520-W528 AromaticContact CD1-CE2 3.62Å; F520-W528 HydrophobicContact CD1-CG 4.16Å; F520-W528 HydrophobicContact CD1-CZ2 4Å; F520-W528 AromaticContact CD1-NE1 3.68Å; F520-W528 HydrophobicContact CE1-CB 4.48Å; F520-W528 AromaticContact CE1-CD2 3.81Å; F520-W528 HydrophobicContact CE1-CD2 3.81Å; F520-W528 HydrophobicContact CE1-CE3 4.26Å; F520-W528 AromaticContact CE1-CG 3.9Å; F520-W528 HydrophobicContact CE1-CG 3.9Å; H523-W528 HydrophobicContact CB-CZ2 4.05Å; H523-W528 PolarHBondContact O-NE1 2.83Å; R526-W528 HydrophobicContact CB-CZ2 4.32Å; R526-W528 HydrophobicContact CG-CD2 4.37Å; R526-W528 HydrophobicContact CG-CZ2 4.39Å; R526-W528 PolarHBondContact O-N 2.8Å; R526-W528 PolarHBondContact O-NE1 2.63Å; W528-S530 VanDerWaalsContact C-N 3.31Å; W528-S530 PolarHBondContact O-N 3.25Å; W528-S531 WeakPolarHBondContact CA-OG 3.48Å; W528-S531 PolarHBondContact O-N 3.32Å; W528-S531 PolarHBondContact O-OG 2.79Å; W528-F533 HydrophobicContact CE3-CD1 4.06Å; W528-F533 AromaticContact CE3-CD2 3.94Å; W528-F533 HydrophobicContact CE3-CD2 3.94Å; W528-F533 HydrophobicContact CE3-CE1 4.13Å; W528-F533 HydrophobicContact CE3-CE2 4.03Å; W528-F533 AromaticContact CE3-CG 3.95Å; W528-F533 HydrophobicContact CE3-CG 3.95Å; W528-F533 HydrophobicContact CE3-CZ 4.1Å; W528-F533 HydrophobicContact CH2-CE2 4.33Å; W528-F533 HydrophobicContact CH2-CZ 4.16Å; W528-F533 HydrophobicContact CZ3-CD1 4.36Å; W528-F533 AromaticContact CZ3-CD2 3.78Å; W528-F533 HydrophobicContact CZ3-CD2 3.78Å; W528-F533 HydrophobicContact CZ3-CE1 4.05Å; W528-F533 AromaticContact CZ3-CE2 3.45Å; W528-F533 HydrophobicContact CZ3-CE2 3.45Å; W528-F533 VanDerWaalsContact CZ3-CE2 3.45Å; W528-F533 HydrophobicContact CZ3-CG 4.23Å; W528-F533 AromaticContact CZ3-CZ 3.57Å; W528-F533 HydrophobicContact CZ3-CZ 3.57Å; W528-I542 HydrophobicContact CB-CG1 3.92Å; W528-I542 HydrophobicContact CB-CG2 3.92Å; W528-M543 HydrophobicContact CB-SD 4.23Å
529	S	85.3	Confident	88.7	Confident	78 Å²	78	72.7 Å²	72.7	55%	0.545	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-31.4	-174.9	65.7	0	0	0	0	113.4	D527	D527-S529 WeakPolarHBondContact OD1-CB 3.32Å; D527-S529 PolarHBondContact OD1-N 3.49Å; D527-S529 PolarHBondContact OD1-OG 2.9Å; D527-S529 PolarHBondContact OD2-OG 2.81Å
530	S	78	Confident	88.7	Confident	105 Å²	105	74.7 Å²	74.7	73%	0.734	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.1	-177.3	56.8	0	0	0	0	115.1	W528 G532	W528-S530 VanDerWaalsContact C-N 3.31Å; W528-S530 PolarHBondContact O-N 3.25Å; S530-G532 PolarHBondContact O-N 2.81Å
531	S	69	Low	88.6	Confident	47 Å²	47	78 Å²	78	33%	0.329	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.6	-168.2	18	0	0	0	0	116	W528 F533	W528-S531 WeakPolarHBondContact CA-OG 3.48Å; W528-S531 PolarHBondContact O-N 3.32Å; W528-S531 PolarHBondContact O-OG 2.79Å; S531-F533 PolarHBondContact O-N 2.6Å
532	G	69.9	Low	88.5	Confident	77 Å²	77	78 Å²	78	79%	0.794	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	25	-168	0	0	0	0	0	112.7	S530	S530-G532 PolarHBondContact O-N 2.81Å
533	F	73.5	Confident	88.5	Confident	66 Å²	66	78.5 Å²	78.5	29%	0.289	44%	0.435	S	S	.	.			trans	-63.6	-55.1	-161.3	-168.8	-114.8	0	0	0	112.8	D516 F520 W528 S531 I542	D516-F533 HydrophobicContact CB-CE1 3.62Å; D516-F533 HydrophobicContact CB-CZ 3.92Å; D516-F533 WeakPolarHBondContact OD1-CZ 3.27Å; F520-F533 HydrophobicContact CD1-CE1 4.41Å; F520-F533 AromaticContact CE1-CD1 3.91Å; F520-F533 HydrophobicContact CE1-CD1 3.91Å; F520-F533 AromaticContact CE1-CE1 3.62Å; F520-F533 HydrophobicContact CE1-CE1 3.62Å; F520-F533 HydrophobicContact CZ-CD1 4.05Å; F520-F533 AromaticContact CZ-CE1 3.85Å; F520-F533 HydrophobicContact CZ-CE1 3.85Å; W528-F533 HydrophobicContact CE3-CD1 4.06Å; W528-F533 AromaticContact CE3-CD2 3.94Å; W528-F533 HydrophobicContact CE3-CD2 3.94Å; W528-F533 HydrophobicContact CE3-CE1 4.13Å; W528-F533 HydrophobicContact CE3-CE2 4.03Å; W528-F533 AromaticContact CE3-CG 3.95Å; W528-F533 HydrophobicContact CE3-CG 3.95Å; W528-F533 HydrophobicContact CE3-CZ 4.1Å; W528-F533 HydrophobicContact CH2-CE2 4.33Å; W528-F533 HydrophobicContact CH2-CZ 4.16Å; W528-F533 HydrophobicContact CZ3-CD1 4.36Å; W528-F533 AromaticContact CZ3-CD2 3.78Å; W528-F533 HydrophobicContact CZ3-CD2 3.78Å; W528-F533 HydrophobicContact CZ3-CE1 4.05Å; W528-F533 AromaticContact CZ3-CE2 3.45Å; W528-F533 HydrophobicContact CZ3-CE2 3.45Å; W528-F533 VanDerWaalsContact CZ3-CE2 3.45Å; W528-F533 HydrophobicContact CZ3-CG 4.23Å; W528-F533 AromaticContact CZ3-CZ 3.57Å; W528-F533 HydrophobicContact CZ3-CZ 3.57Å; S531-F533 PolarHBondContact O-N 2.6Å; F533-I542 HydrophobicContact CD1-CD1 4.48Å
534	V	85.8	Confident	88.5	Confident	29 Å²	29	77.6 Å²	77.6	18%	0.176	43%	0.433	C	S	.	.	S	Bend	trans	-144.6	138.3	178	176.1	0	0	0	0	107.6	C510 L512 D516 V536 I542	C510-V534 HydrophobicContact CB-CG1 3.88Å; L512-V534 HydrophobicContact CD2-CB 4.33Å; L512-V534 HydrophobicContact CD2-CG1 4.14Å; L512-V534 HydrophobicContact CD2-CG2 3.98Å; D516-V534 HydrophobicContact CB-CG2 4.33Å; V534-V536 PolarHBondContact O-N 2.66Å; V534-I542 HydrophobicContact CB-CD1 4.16Å
535	K	89.5	Confident	88.7	Confident	172 Å²	172	75 Å²	75	75%	0.748	42%	0.416	S	S	*	.			trans	-70.8	122.3	172	-177.2	-177.3	173	-169.4	0	109.2	C510	C510-K535 WeakPolarHBondContact CB-O 3.33Å
536	V	94	Very high	88.8	Confident	30 Å²	30	67.5 Å²	67.5	18%	0.182	38%	0.376	C	S	.	.			trans	-116.5	130.7	176.1	-175.5	0	0	0	0	108.6	C509 C510 V534 I542 I545	C509-V536 HydrophobicContact CB-CG1 4.35Å; C509-V536 WeakPolarHBondContact O-CA 3.49Å; C510-V536 HydrophobicContact CB-CG2 4.13Å; V534-V536 PolarHBondContact O-N 2.66Å; V536-I542 HydrophobicContact CG2-CB 4.3Å; V536-I542 HydrophobicContact CG2-CD1 3.7Å; V536-I545 HydrophobicContact CG1-CD1 4.33Å; V536-I545 HydrophobicContact CG1-CG1 4Å; V536-I545 HydrophobicContact CG2-CG1 4.17Å
537	D	93.3	Very high	89.1	Confident	45 Å²	45	67.1 Å²	67.1	24%	0.241	38%	0.38	C	S	.	.			trans	-80.1	141.7	177.4	-82.8	15.1	0	0	0	112	G478 C509 Y540	G478-D537 WeakPolarHBondContact CA-OD2 3.22Å; C509-D537 HydrophobicContact CB-CB 4.41Å; C509-D537 PolarHBondContact O-N 3Å; D537-Y540 PolarHBondContact O-N 3.46Å
538	E	92	Very high	89.5	Confident	187 Å²	187	64.3 Å²	64.3	87%	0.874	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	148.9	175.3	-69.2	-177	-175.3	0	0	112
539	P	95.1	Very high	90	Very high	109 Å²	109	64 Å²	64	71%	0.708	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.8	9.1	8.8	37.6	-37.6	0	0	0	114.3
540	Y	95.8	Very high	90.6	Very high	55 Å²	55	62.5 Å²	62.5	22%	0.216	35%	0.349	C	S	.	.			trans	-86.9	151.3	-174.9	-64	-68.6	0	0	0	112.2	K383 Y384 C385 C509 D537 D544	K383-Y540 PolarHBondContact O-OH 3.08Å; Y384-Y540 VanDerWaalsContact CA-OH 3.24Å; Y384-Y540 WeakPolarHBondContact CA-OH 3.26Å; Y384-Y540 WeakPolarHBondContact O-CE2 3.39Å; C385-Y540 HydrophobicContact CB-CD1 3.74Å; C385-Y540 HydrophobicContact CB-CD2 4.29Å; C385-Y540 HydrophobicContact CB-CE1 3.46Å; C385-Y540 VanDerWaalsContact CB-CE1 3.46Å; C385-Y540 HydrophobicContact CB-CE2 4.05Å; C385-Y540 HydrophobicContact CB-CG 4.15Å; C385-Y540 VanDerWaalsContact N-CZ 3.25Å; C385-Y540 PolarHBondContact N-OH 2.99Å; C509-Y540 HydrophobicContact CB-CD2 4.23Å; D537-Y540 PolarHBondContact O-N 3.46Å; Y540-D544 HydrophobicContact CD1-CB 4.22Å
541	T	94.7	Very high	91.5	Very high	71 Å²	71	62.3 Å²	62.3	44%	0.436	34%	0.335	S	S	.	.			trans	-108.9	160.9	173.8	70.3	0	0	0	0	110.4	M543 D544 I545	T541-M543 PolarHBondContact O-N 3.42Å; T541-M543 VanDerWaalsContact O-N 3.12Å; T541-M543 PolarHBondContact OG1-N 3.41Å; T541-D544 WeakPolarHBondContact CB-OD2 3.48Å; T541-D544 PolarHBondContact N-OD2 2.83Å; T541-D544 WeakPolarHBondContact O-CB 3.49Å; T541-D544 PolarHBondContact O-N 2.84Å; T541-D544 VanDerWaalsContact OG1-CG 3.32Å; T541-D544 PolarHBondContact OG1-N 3.01Å; T541-D544 PolarHBondContact OG1-OD2 2.78Å; T541-I545 WeakPolarHBondContact O-CG1 3.33Å; T541-I545 PolarHBondContact O-N 3.43Å
542	I	94.8	Very high	93	Very high	18 Å²	18	60 Å²	60	9%	0.092	32%	0.319	C	S	.	.	H	α-helix	trans	-56.4	-27.3	172.4	-164.5	66.8	0	0	0	112.5	F520 W528 F533 V534 V536 I545 C546	F520-I542 HydrophobicContact CE1-CD1 4.43Å; F520-I542 HydrophobicContact CE1-CG1 4.35Å; F520-I542 HydrophobicContact CZ-CD1 3.76Å; F520-I542 HydrophobicContact CZ-CG1 4.12Å; W528-I542 HydrophobicContact CB-CG1 3.92Å; W528-I542 HydrophobicContact CB-CG2 3.92Å; F533-I542 HydrophobicContact CD1-CD1 4.48Å; V534-I542 HydrophobicContact CB-CD1 4.16Å; V536-I542 HydrophobicContact CG2-CB 4.3Å; V536-I542 HydrophobicContact CG2-CD1 3.7Å; I542-I545 PolarHBondContact O-N 3.37Å; I542-C546 WeakPolarHBondContact O-CB 3.49Å; I542-C546 PolarHBondContact O-N 2.97Å
543	M	94.5	Very high	94.3	Very high	55 Å²	55	57.2 Å²	57.2	27%	0.271	29%	0.286	S	S	.	.	H	α-helix	trans	-73.2	-36	177	-64.7	-53.1	-61.5	0	0	112.2	W528 T541 I545 C546 Q547	W528-M543 HydrophobicContact CB-SD 4.23Å; T541-M543 PolarHBondContact O-N 3.42Å; T541-M543 VanDerWaalsContact O-N 3.12Å; T541-M543 PolarHBondContact OG1-N 3.41Å; M543-I545 VanDerWaalsContact C-N 3.32Å; M543-C546 PolarHBondContact O-N 2.76Å; M543-Q547 WeakPolarHBondContact O-CG 3.5Å; M543-Q547 PolarHBondContact O-N 3.03Å
544	D	95.9	Very high	95.5	Very high	54 Å²	54	57.1 Å²	57.1	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-63.3	-42.2	172.6	-57.7	-57.1	0	0	0	110.6	Y540 T541 Q547 N548	Y540-D544 HydrophobicContact CD1-CB 4.22Å; T541-D544 WeakPolarHBondContact CB-OD2 3.48Å; T541-D544 PolarHBondContact N-OD2 2.83Å; T541-D544 WeakPolarHBondContact O-CB 3.49Å; T541-D544 PolarHBondContact O-N 2.84Å; T541-D544 VanDerWaalsContact OG1-CG 3.32Å; T541-D544 PolarHBondContact OG1-N 3.01Å; T541-D544 PolarHBondContact OG1-OD2 2.78Å; D544-Q547 PolarHBondContact O-N 2.88Å; D544-N548 WeakPolarHBondContact O-CB 3.33Å; D544-N548 PolarHBondContact O-N 3.02Å; D544-N548 PolarHBondContact O-ND2 3.35Å
545	I	96.8	Very high	96.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-49.2	175.7	-54.8	-64.3	0	0	0	110.8	C385 F387 C509 L512 F520 V536 T541 I542 M543 Q547 N548 V549	C385-I545 WeakPolarHBondContact SG-CD1 3.36Å; F387-I545 HydrophobicContact CB-CD1 4.46Å; F387-I545 HydrophobicContact CD1-CD1 3.82Å; F387-I545 HydrophobicContact CD1-CG2 4.31Å; F387-I545 HydrophobicContact CE1-CD1 4.48Å; F387-I545 HydrophobicContact CG-CD1 4.39Å; F387-I545 HydrophobicContact CG-CG2 4.39Å; C509-I545 WeakPolarHBondContact SG-CD1 3.09Å; L512-I545 HydrophobicContact CD1-CG2 3.75Å; L512-I545 HydrophobicContact CD2-CG2 4.35Å; L512-I545 HydrophobicContact CG-CG2 4.44Å; F520-I545 HydrophobicContact CE2-CG2 4Å; V536-I545 HydrophobicContact CG1-CD1 4.33Å; V536-I545 HydrophobicContact CG1-CG1 4Å; V536-I545 HydrophobicContact CG2-CG1 4.17Å; T541-I545 WeakPolarHBondContact O-CG1 3.33Å; T541-I545 PolarHBondContact O-N 3.43Å; I542-I545 PolarHBondContact O-N 3.37Å; M543-I545 VanDerWaalsContact C-N 3.32Å; I545-Q547 VanDerWaalsContact C-N 3.35Å; I545-Q547 PolarHBondContact O-N 2.84Å; I545-N548 PolarHBondContact O-N 3.4Å; I545-V549 HydrophobicContact CG2-CG2 4.29Å; I545-V549 WeakPolarHBondContact O-CG2 3.39Å; I545-V549 PolarHBondContact O-N 2.89Å
546	C	96.7	Very high	96.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-54.5	-50	177.2	179.3	0	0	0	0	111.3	F520 I542 M543 N548 V549 L550	F520-C546 HydrophobicContact CD1-CB 4.1Å; F520-C546 HydrophobicContact CD2-CB 4.32Å; F520-C546 HydrophobicContact CE1-CB 4.38Å; F520-C546 HydrophobicContact CG-CB 4.07Å; I542-C546 WeakPolarHBondContact O-CB 3.49Å; I542-C546 PolarHBondContact O-N 2.97Å; M543-C546 PolarHBondContact O-N 2.76Å; C546-N548 VanDerWaalsContact C-N 3.35Å; C546-N548 PolarHBondContact O-N 2.71Å; C546-V549 PolarHBondContact O-N 3.2Å; C546-L550 VanDerWaalsContact O-CG 3.26Å; C546-L550 WeakPolarHBondContact O-CG 3.49Å; C546-L550 PolarHBondContact O-N 2.86Å
547	Q	97.6	Very high	96.6	Very high	115 Å²	115	48.5 Å²	48.5	54%	0.537	25%	0.25	S	S	.	.	H	α-helix	trans	-60.2	-42.6	178.2	-72.3	178.9	1.3	0	0	112.6	M543 D544 I545 L550 K551	M543-Q547 WeakPolarHBondContact O-CG 3.5Å; M543-Q547 PolarHBondContact O-N 3.03Å; D544-Q547 PolarHBondContact O-N 2.88Å; I545-Q547 VanDerWaalsContact C-N 3.35Å; I545-Q547 PolarHBondContact O-N 2.84Å; Q547-L550 PolarHBondContact O-N 3.38Å; Q547-K551 WeakPolarHBondContact O-CG 2.97Å; Q547-K551 PolarHBondContact O-N 3.49Å
548	N	98.5	Very high	96.8	Very high	30 Å²	30	49.6 Å²	49.6	16%	0.16	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-40.5	178.5	-75.8	-18	0	0	0	112.5	C385 F387 I403 D544 I545 C546 K551 L552	C385-N548 VanDerWaalsContact CB-ND2 3.34Å; C385-N548 WeakPolarHBondContact CB-ND2 3.45Å; C385-N548 PolarHBondContact SG-ND2 2.99Å; F387-N548 HydrophobicContact CE1-CB 3.8Å; F387-N548 HydrophobicContact CZ-CB 4.11Å; I403-N548 HydrophobicContact CG2-CB 3.69Å; D544-N548 WeakPolarHBondContact O-CB 3.33Å; D544-N548 PolarHBondContact O-N 3.02Å; D544-N548 PolarHBondContact O-ND2 3.35Å; I545-N548 PolarHBondContact O-N 3.4Å; C546-N548 VanDerWaalsContact C-N 3.35Å; C546-N548 PolarHBondContact O-N 2.71Å; N548-K551 PolarHBondContact O-N 3.4Å; N548-L552 WeakPolarHBondContact O-CB 3.26Å; N548-L552 WeakPolarHBondContact O-CG 3.33Å; N548-L552 PolarHBondContact O-N 3.41Å
549	V	98.5	Very high	97	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-46.4	172.9	170.3	0	0	0	0	110.5	F387 I389 L512 A517 F520 I521 I545 C546 K551 L552 N553 L601	F387-V549 HydrophobicContact CD2-CG2 4.5Å; F387-V549 HydrophobicContact CE2-CG2 3.6Å; F387-V549 HydrophobicContact CZ-CG2 3.69Å; I389-V549 HydrophobicContact CD1-CG2 4.37Å; L512-V549 HydrophobicContact CD1-CG2 3.83Å; A517-V549 HydrophobicContact CB-CG1 4.3Å; F520-V549 HydrophobicContact CB-CG1 4.37Å; F520-V549 HydrophobicContact CD2-CB 4.09Å; F520-V549 HydrophobicContact CD2-CG1 4.21Å; F520-V549 HydrophobicContact CD2-CG2 4.03Å; F520-V549 HydrophobicContact CE2-CG2 4.46Å; I521-V549 HydrophobicContact CG1-CG1 4.39Å; I545-V549 HydrophobicContact CG2-CG2 4.29Å; I545-V549 WeakPolarHBondContact O-CG2 3.39Å; I545-V549 PolarHBondContact O-N 2.89Å; C546-V549 PolarHBondContact O-N 3.2Å; V549-K551 VanDerWaalsContact C-N 3.35Å; V549-K551 PolarHBondContact O-N 2.88Å; V549-L552 PolarHBondContact O-N 3.17Å; V549-N553 WeakPolarHBondContact O-CB 3.33Å; V549-N553 PolarHBondContact O-N 3.12Å; V549-L601 HydrophobicContact CG1-CD1 4.25Å
550	L	98.5	Very high	97	Very high	46 Å²	46	37.1 Å²	37.1	24%	0.241	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-41.4	178.6	-70.8	171.7	0	0	0	112.4	P524 C546 Q547 N553 D554	P524-L550 HydrophobicContact CB-CD1 3.64Å; P524-L550 HydrophobicContact CB-CD2 3.99Å; P524-L550 HydrophobicContact CB-CG 4.49Å; C546-L550 VanDerWaalsContact O-CG 3.26Å; C546-L550 WeakPolarHBondContact O-CG 3.49Å; C546-L550 PolarHBondContact O-N 2.86Å; Q547-L550 PolarHBondContact O-N 3.38Å; L550-N553 PolarHBondContact O-N 2.96Å; L550-D554 PolarHBondContact O-N 3.34Å
551	K	98.4	Very high	96.9	Very high	101 Å²	101	38.6 Å²	38.6	44%	0.439	19%	0.193	S	C	.	.	H	α-helix	trans	-69.7	-43.2	176.9	-70	-63.5	-177.2	-179.1	0	112.8	I403 Q547 N548 V549 N553 D554 L555	I403-K551 HydrophobicContact CD1-CB 3.95Å; Q547-K551 WeakPolarHBondContact O-CG 2.97Å; Q547-K551 PolarHBondContact O-N 3.49Å; N548-K551 PolarHBondContact O-N 3.4Å; V549-K551 VanDerWaalsContact C-N 3.35Å; V549-K551 PolarHBondContact O-N 2.88Å; K551-N553 VanDerWaalsContact C-N 3.25Å; K551-N553 PolarHBondContact O-N 2.91Å; K551-D554 PolarHBondContact O-N 2.9Å; K551-L555 WeakPolarHBondContact O-CG 3.43Å; K551-L555 PolarHBondContact O-N 2.97Å; K551-L555 VanDerWaalsContact O-N 3.17Å
552	L	98.7	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.5	-38.9	172.6	-76	166	0	0	0	111.3	F387 L401 I403 V426 N548 V549 A556 L601 W605	F387-L552 HydrophobicContact CE2-CD1 4.28Å; F387-L552 HydrophobicContact CZ-CD1 3.72Å; L401-L552 HydrophobicContact CB-CD1 4.04Å; L401-L552 HydrophobicContact CD1-CD1 4.15Å; I403-L552 HydrophobicContact CB-CD2 3.91Å; I403-L552 HydrophobicContact CB-CG 3.96Å; I403-L552 HydrophobicContact CD1-CD2 4.21Å; I403-L552 HydrophobicContact CD1-CG 4.34Å; I403-L552 HydrophobicContact CG2-CD1 4.16Å; I403-L552 HydrophobicContact CG2-CD2 4.33Å; I403-L552 HydrophobicContact CG2-CG 3.8Å; V426-L552 HydrophobicContact CG1-CD2 3.7Å; V426-L552 HydrophobicContact CG2-CD2 4.31Å; N548-L552 WeakPolarHBondContact O-CB 3.26Å; N548-L552 WeakPolarHBondContact O-CG 3.33Å; N548-L552 PolarHBondContact O-N 3.41Å; V549-L552 PolarHBondContact O-N 3.17Å; L552-A556 WeakPolarHBondContact O-CB 3.32Å; L552-A556 PolarHBondContact O-N 2.95Å; L552-L601 HydrophobicContact CB-CD1 3.98Å; L552-L601 HydrophobicContact CB-CD2 4.47Å; L552-L601 HydrophobicContact CB-CG 4.27Å; L552-W605 HydrophobicContact CD2-CZ2 4.03Å; L552-W605 PolarHBondContact O-NE1 2.74Å
553	N	98.5	Very high	96.9	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-45.4	178	-167.1	46.5	0	0	0	112.4	I521 V549 L550 K551 L555 A556 T557 L601	I521-N553 HydrophobicContact CD1-CB 4.22Å; I521-N553 HydrophobicContact CG1-CB 4.32Å; V549-N553 WeakPolarHBondContact O-CB 3.33Å; V549-N553 PolarHBondContact O-N 3.12Å; L550-N553 PolarHBondContact O-N 2.96Å; K551-N553 VanDerWaalsContact C-N 3.25Å; K551-N553 PolarHBondContact O-N 2.91Å; N553-L555 PolarHBondContact O-N 2.84Å; N553-A556 PolarHBondContact O-N 3.37Å; N553-T557 VanDerWaalsContact O-CB 3.27Å; N553-T557 WeakPolarHBondContact O-CB 3.42Å; N553-T557 PolarHBondContact O-N 3.43Å; N553-T557 PolarHBondContact O-OG1 3.05Å; N553-L601 HydrophobicContact CB-CD1 3.71Å
554	D	98	Very high	96.9	Very high	64 Å²	64	36.7 Å²	36.7	34%	0.342	19%	0.186	S	C	.	.	H	α-helix	trans	-58.6	-48.9	177.8	173.6	59	0	0	0	111.2	L550 K551 T557 K558	L550-D554 PolarHBondContact O-N 3.34Å; K551-D554 PolarHBondContact O-N 2.9Å; D554-T557 PolarHBondContact O-N 2.96Å; D554-K558 WeakPolarHBondContact O-CG 2.98Å; D554-K558 PolarHBondContact O-N 3.49Å; D554-K558 VanDerWaalsContact O-N 3.1Å; D554-K558 WeakPolarHBondContact OD1-CE 3.49Å; D554-K558 IonicContact OD1-NZ 3.69Å; D554-K558 WeakPolarHBondContact OD2-CE 3.4Å; D554-K558 IonicContact OD2-NZ 2.86Å; D554-K558 PolarHBondContact OD2-NZ 3.09Å
555	L	98.5	Very high	96.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-46.5	177.9	-64.6	178.8	0	0	0	112	I403 Y424 V426 A494 K551 N553 T557 K558 M559 W605	I403-L555 HydrophobicContact CD1-CD1 3.63Å; Y424-L555 HydrophobicContact CD2-CD1 3.88Å; Y424-L555 HydrophobicContact CD2-CD2 4.2Å; Y424-L555 HydrophobicContact CE2-CD1 4.47Å; Y424-L555 HydrophobicContact CE2-CD2 4.37Å; Y424-L555 HydrophobicContact CG-CD1 4.26Å; V426-L555 HydrophobicContact CG2-CD1 4.28Å; A494-L555 HydrophobicContact CB-CB 4.04Å; A494-L555 HydrophobicContact CB-CD2 3.79Å; A494-L555 VanDerWaalsContact CB-O 3.29Å; A494-L555 WeakPolarHBondContact CB-O 3.49Å; K551-L555 WeakPolarHBondContact O-CG 3.43Å; K551-L555 PolarHBondContact O-N 2.97Å; K551-L555 VanDerWaalsContact O-N 3.17Å; N553-L555 PolarHBondContact O-N 2.84Å; L555-T557 VanDerWaalsContact C-N 3.29Å; L555-T557 PolarHBondContact O-N 3.19Å; L555-K558 WeakPolarHBondContact O-CB 3.42Å; L555-K558 PolarHBondContact O-N 3.08Å; L555-M559 WeakPolarHBondContact O-CG 3.34Å; L555-M559 PolarHBondContact O-N 3.08Å; L555-W605 HydrophobicContact CB-CH2 4.39Å; L555-W605 HydrophobicContact CB-CZ2 3.8Å; L555-W605 HydrophobicContact CD1-CH2 4.42Å; L555-W605 HydrophobicContact CD1-CZ2 4.18Å
556	A	97.8	Very high	96.7	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-41	177.3	0	0	0	0	0	111.5	L552 N553 K558 M559 R560 L601 E604	L552-A556 WeakPolarHBondContact O-CB 3.32Å; L552-A556 PolarHBondContact O-N 2.95Å; N553-A556 PolarHBondContact O-N 3.37Å; A556-K558 PolarHBondContact O-N 3.39Å; A556-M559 PolarHBondContact O-N 2.97Å; A556-R560 WeakPolarHBondContact O-CB 3.37Å; A556-R560 PolarHBondContact O-N 2.83Å; A556-L601 HydrophobicContact CB-CB 4.44Å; A556-E604 HydrophobicContact CB-CB 4.1Å; A556-E604 HydrophobicContact CB-CG 4.37Å
557	T	96	Very high	96.6	Very high	48 Å²	48	45.4 Å²	45.4	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-59.8	-45.6	175.7	-64.1	0	0	0	0	111.1	N553 D554 L555 M559 R560 K561	N553-T557 VanDerWaalsContact O-CB 3.27Å; N553-T557 WeakPolarHBondContact O-CB 3.42Å; N553-T557 PolarHBondContact O-N 3.43Å; N553-T557 PolarHBondContact O-OG1 3.05Å; D554-T557 PolarHBondContact O-N 2.96Å; L555-T557 VanDerWaalsContact C-N 3.29Å; L555-T557 PolarHBondContact O-N 3.19Å; T557-M559 PolarHBondContact O-N 3.37Å; T557-R560 PolarHBondContact O-N 3.14Å; T557-K561 HydrophobicContact CG2-CD 4.43Å; T557-K561 WeakPolarHBondContact O-CG 3.47Å; T557-K561 PolarHBondContact O-N 2.88Å
558	K	96.5	Very high	96.6	Very high	68 Å²	68	40 Å²	40	30%	0.296	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-41.2	175.3	-70	163.4	178	166.6	0	112.2	E492 A494 D554 L555 A556 K561 S562	E492-K558 PolarHBondContact O-NZ 3.1Å; A494-K558 HydrophobicContact CB-CB 3.6Å; A494-K558 HydrophobicContact CB-CD 4.1Å; D554-K558 WeakPolarHBondContact O-CG 2.98Å; D554-K558 PolarHBondContact O-N 3.49Å; D554-K558 VanDerWaalsContact O-N 3.1Å; D554-K558 WeakPolarHBondContact OD1-CE 3.49Å; D554-K558 IonicContact OD1-NZ 3.69Å; D554-K558 WeakPolarHBondContact OD2-CE 3.4Å; D554-K558 IonicContact OD2-NZ 2.86Å; D554-K558 PolarHBondContact OD2-NZ 3.09Å; L555-K558 WeakPolarHBondContact O-CB 3.42Å; L555-K558 PolarHBondContact O-N 3.08Å; A556-K558 PolarHBondContact O-N 3.39Å; K558-K561 PolarHBondContact O-N 3.03Å; K558-S562 PolarHBondContact O-N 3.44Å; K558-S562 VanDerWaalsContact O-N 3.14Å
559	M	96.5	Very high	96.4	Very high	26 Å²	26	39 Å²	39	13%	0.128	21%	0.205	C	C	.	.	H	α-helix	trans	-63.6	-44.9	176.2	-69.3	170	64.6	0	0	111.8	A494 I496 L555 A556 T557 K561 S562 R563 W605 A608	A494-M559 HydrophobicContact CB-CG 3.8Å; I496-M559 HydrophobicContact CD1-CE 4.16Å; L555-M559 WeakPolarHBondContact O-CG 3.34Å; L555-M559 PolarHBondContact O-N 3.08Å; A556-M559 PolarHBondContact O-N 2.97Å; T557-M559 PolarHBondContact O-N 3.37Å; M559-K561 PolarHBondContact O-N 3.04Å; M559-S562 WeakPolarHBondContact O-CB 3.36Å; M559-S562 PolarHBondContact O-N 3.35Å; M559-R563 WeakPolarHBondContact O-CB 3.5Å; M559-R563 PolarHBondContact O-N 2.9Å; M559-W605 HydrophobicContact CE-CE3 4.39Å; M559-W605 HydrophobicContact CE-CZ3 4.25Å; M559-W605 HydrophobicContact SD-CE3 4.38Å; M559-W605 HydrophobicContact SD-CH2 3.81Å; M559-W605 HydrophobicContact SD-CZ2 4.17Å; M559-W605 HydrophobicContact SD-CZ3 3.94Å; M559-A608 HydrophobicContact CE-CB 3.72Å
560	R	94.9	Very high	96.1	Very high	8 Å²	8	40.5 Å²	40.5	3%	0.03	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-48.6	176.3	-173.9	174	-173.8	88.1	-8.7	111.7	A556 T557 S562 R563 F564 E603 E604	A556-R560 WeakPolarHBondContact O-CB 3.37Å; A556-R560 PolarHBondContact O-N 2.83Å; T557-R560 PolarHBondContact O-N 3.14Å; R560-S562 VanDerWaalsContact C-N 3.32Å; R560-S562 PolarHBondContact O-N 2.96Å; R560-R563 PolarHBondContact O-N 3Å; R560-R563 VanDerWaalsContact O-N 3.13Å; R560-F564 HydrophobicContact CG-CD2 3.74Å; R560-F564 HydrophobicContact CG-CE2 3.61Å; R560-F564 WeakPolarHBondContact O-CD2 3.28Å; R560-F564 PolarHBondContact O-N 2.94Å; R560-E603 IonicContact CZ-OE2 2.81Å; R560-E603 IonicContact NH1-OE2 2.84Å; R560-E603 PolarHBondContact NH1-OE2 3.32Å; R560-E604 HydrophobicContact CB-CG 3.86Å; R560-E604 WeakPolarHBondContact CB-OE1 3.26Å; R560-E604 WeakPolarHBondContact CG-OE1 3.31Å; R560-E604 IonicContact NH1-OE1 2.74Å; R560-E604 PolarHBondContact NH1-OE1 3Å; R560-E604 VanDerWaalsContact NH1-OE1 3.09Å
561	K	94.6	Very high	95.7	Very high	86 Å²	86	39.9 Å²	39.9	37%	0.374	21%	0.207	S	C	.	.	H	α-helix	trans	-52	-51.7	175.6	-73.4	-177.7	171.7	-164.9	0	111.4	T557 K558 M559 R563 F564 H565 E673	T557-K561 HydrophobicContact CG2-CD 4.43Å; T557-K561 WeakPolarHBondContact O-CG 3.47Å; T557-K561 PolarHBondContact O-N 2.88Å; K558-K561 PolarHBondContact O-N 3.03Å; M559-K561 PolarHBondContact O-N 3.04Å; K561-R563 PolarHBondContact O-N 2.97Å; K561-F564 PolarHBondContact O-N 3.18Å; K561-H565 VanDerWaalsContact O-CB 3.3Å; K561-H565 WeakPolarHBondContact O-CB 3.44Å; K561-H565 PolarHBondContact O-N 2.94Å; K561-E673 HydrophobicContact CB-CB 4.35Å; K561-E673 HydrophobicContact CB-CG 3.91Å; K561-E673 HydrophobicContact CD-CG 4.48Å; K561-E673 WeakPolarHBondContact CD-OE2 3.41Å; K561-E673 WeakPolarHBondContact CE-OE2 3.47Å; K561-E673 HydrophobicContact CG-CB 3.77Å; K561-E673 VanDerWaalsContact CG-CD 3.46Å; K561-E673 HydrophobicContact CG-CG 3.73Å; K561-E673 WeakPolarHBondContact CG-OE2 3.3Å; K561-E673 IonicContact NZ-OE2 2.72Å; K561-E673 PolarHBondContact NZ-OE2 3.13Å
562	S	94.6	Very high	95.1	Very high	83 Å²	83	36.6 Å²	36.6	58%	0.58	20%	0.195	S	C	*	.	H	α-helix	trans	-59.9	-43.4	177.9	-176.7	0	0	0	0	112.4	K558 M559 R560 H565 S566	K558-S562 PolarHBondContact O-N 3.44Å; K558-S562 VanDerWaalsContact O-N 3.14Å; M559-S562 WeakPolarHBondContact O-CB 3.36Å; M559-S562 PolarHBondContact O-N 3.35Å; R560-S562 VanDerWaalsContact C-N 3.32Å; R560-S562 PolarHBondContact O-N 2.96Å; S562-H565 PolarHBondContact O-N 3.06Å; S562-S566 WeakPolarHBondContact O-CB 3.42Å; S562-S566 PolarHBondContact O-N 2.93Å
563	R	95.2	Very high	94.5	Very high	20 Å²	20	40.7 Å²	40.7	8%	0.075	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-47.4	-179.9	-175	171.9	62.5	77.7	-4.7	112.4	M559 R560 K561 S566 G567 A568 E604	M559-R563 WeakPolarHBondContact O-CB 3.5Å; M559-R563 PolarHBondContact O-N 2.9Å; R560-R563 PolarHBondContact O-N 3Å; R560-R563 VanDerWaalsContact O-N 3.13Å; K561-R563 PolarHBondContact O-N 2.97Å; R563-S566 PolarHBondContact O-N 2.87Å; R563-S566 PolarHBondContact O-OG 2.69Å; R563-G567 PolarHBondContact O-N 2.91Å; R563-A568 HydrophobicContact CG-CB 3.8Å; R563-A568 WeakPolarHBondContact O-CB 3.5Å; R563-A568 PolarHBondContact O-N 3.04Å; R563-E604 IonicContact CZ-OE1 3.89Å; R563-E604 IonicContact CZ-OE2 3.62Å; R563-E604 IonicContact NE-OE1 3.42Å; R563-E604 PolarHBondContact NE-OE1 3.38Å; R563-E604 IonicContact NE-OE2 3.16Å; R563-E604 PolarHBondContact NE-OE2 3.46Å; R563-E604 IonicContact NH2-OE1 3.54Å; R563-E604 PolarHBondContact NH2-OE1 3.42Å; R563-E604 IonicContact NH2-OE2 2.94Å
564	F	95.3	Very high	93.9	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-42	176.1	-76.8	-70.7	0	0	0	112.4	R560 K561 S566 G567 A568 R570 Q661 V672 E673	R560-F564 HydrophobicContact CG-CD2 3.74Å; R560-F564 HydrophobicContact CG-CE2 3.61Å; R560-F564 WeakPolarHBondContact O-CD2 3.28Å; R560-F564 PolarHBondContact O-N 2.94Å; K561-F564 PolarHBondContact O-N 3.18Å; F564-S566 PolarHBondContact O-N 3.22Å; F564-G567 PolarHBondContact O-N 2.85Å; F564-A568 HydrophobicContact CD1-CB 4.12Å; F564-A568 HydrophobicContact CE1-CB 4.43Å; F564-R570 HydrophobicContact CE1-CB 3.88Å; F564-R570 HydrophobicContact CZ-CB 3.92Å; F564-Q661 HydrophobicContact CD1-CG 3.93Å; F564-Q661 HydrophobicContact CE1-CG 4.38Å; F564-V672 HydrophobicContact CB-CG1 4.15Å; F564-V672 WeakPolarHBondContact CB-O 3.06Å; F564-V672 WeakPolarHBondContact CG-O 3.48Å; F564-E673 WeakPolarHBondContact CD2-O 3.32Å
565	H	93.5	Very high	93.4	Very high	158 Å²	158	44.6 Å²	44.6	73%	0.731	23%	0.228	S	C	*	.	H	α-helix	trans	-58.6	-33.4	174.6	-168.8	84.5	0	0	0	112.3	K561 S562 G567	K561-H565 VanDerWaalsContact O-CB 3.3Å; K561-H565 WeakPolarHBondContact O-CB 3.44Å; K561-H565 PolarHBondContact O-N 2.94Å; S562-H565 PolarHBondContact O-N 3.06Å; H565-G567 VanDerWaalsContact C-N 3.26Å; H565-G567 PolarHBondContact O-N 3.04Å
566	S	94	Very high	92.9	Very high	67 Å²	67	46 Å²	46	47%	0.469	24%	0.239	S	C	.	.	H	α-helix	trans	-70.8	-18.7	176.5	81.9	0	0	0	0	114.1	S562 R563 F564 N763	S562-S566 WeakPolarHBondContact O-CB 3.42Å; S562-S566 PolarHBondContact O-N 2.93Å; R563-S566 PolarHBondContact O-N 2.87Å; R563-S566 PolarHBondContact O-OG 2.69Å; F564-S566 PolarHBondContact O-N 3.22Å; S566-N763 PolarHBondContact O-ND2 3.15Å; S566-N763 PolarHBondContact OG-ND2 2.83Å
567	G	95.6	Very high	92.4	Very high	14 Å²	14	48.8 Å²	48.8	14%	0.144	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	120.3	22.6	176.8	0	0	0	0	0	116.3	R563 F564 H565 G658	R563-G567 PolarHBondContact O-N 2.91Å; F564-G567 PolarHBondContact O-N 2.85Å; H565-G567 VanDerWaalsContact C-N 3.26Å; H565-G567 PolarHBondContact O-N 3.04Å; G567-G658 WeakPolarHBondContact O-CA 3.34Å; G567-G658 PolarHBondContact O-N 2.88Å
568	A	95.9	Very high	92.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.			trans	-70.5	157.1	171.7	0	0	0	0	0	112.6	R563 F564 Q661 A761 N763	R563-A568 HydrophobicContact CG-CB 3.8Å; R563-A568 WeakPolarHBondContact O-CB 3.5Å; R563-A568 PolarHBondContact O-N 3.04Å; F564-A568 HydrophobicContact CD1-CB 4.12Å; F564-A568 HydrophobicContact CE1-CB 4.43Å; A568-Q661 WeakPolarHBondContact O-CB 3.49Å; A568-Q661 WeakPolarHBondContact O-CG 3.41Å; A568-A761 CarbonylContact C-O 3.52Å; A568-A761 VanDerWaalsContact CA-O 3.28Å; A568-A761 WeakPolarHBondContact CA-O 3.39Å; A568-N763 HydrophobicContact CB-CB 4.21Å
569	L	95	Very high	91.9	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.047	25%	0.252	C	S	.	.			trans	-128.2	135.2	-179.9	172.4	64.6	0	0	0	109.9	L571 A657 I660 Q661 I664 M740 Y760 A761	L569-L571 HydrophobicContact CD1-CD2 3.91Å; L569-L571 HydrophobicContact CD1-CG 4.03Å; L569-L571 HydrophobicContact CD2-CD1 4.16Å; L569-L571 HydrophobicContact CD2-CG 4.24Å; L569-L571 HydrophobicContact CG-CD2 4.49Å; L569-L571 HydrophobicContact CG-CG 4.06Å; L569-A657 HydrophobicContact CB-CB 3.73Å; L569-A657 HydrophobicContact CD2-CB 4.36Å; L569-I660 HydrophobicContact CD1-CB 4.05Å; L569-I660 HydrophobicContact CD1-CG2 3.72Å; L569-I660 HydrophobicContact CD2-CB 4.42Å; L569-I660 HydrophobicContact CD2-CD1 4.46Å; L569-I660 HydrophobicContact CD2-CG2 4.31Å; L569-Q661 HydrophobicContact CD1-CB 4.05Å; L569-I664 HydrophobicContact CD1-CD1 4.44Å; L569-M740 HydrophobicContact CD2-CE 4.03Å; L569-M740 HydrophobicContact CD2-SD 4.47Å; L569-Y760 HydrophobicContact CD2-CE1 4.36Å; L569-A761 PolarHBondContact N-O 3.12Å
570	R	91.8	Very high	91.7	Very high	33 Å²	33	48.2 Å²	48.2	13%	0.125	26%	0.257	C	S	.	.			trans	-126.7	127.3	171.1	-174.7	161.3	177.2	-179.6	-20.6	109.7	F564 D572 S595 E603 Q661 H677	F564-R570 HydrophobicContact CE1-CB 3.88Å; F564-R570 HydrophobicContact CZ-CB 3.92Å; R570-D572 VanDerWaalsContact CG-OD1 3.31Å; R570-D572 WeakPolarHBondContact CG-OD1 3.13Å; R570-D572 IonicContact CZ-OD1 3.22Å; R570-D572 IonicContact CZ-OD2 3.43Å; R570-D572 VanDerWaalsContact CZ-OD2 3.3Å; R570-D572 VanDerWaalsContact NE-CG 3.29Å; R570-D572 IonicContact NE-OD1 3.38Å; R570-D572 PolarHBondContact NE-OD1 2.87Å; R570-D572 IonicContact NE-OD2 3.08Å; R570-D572 PolarHBondContact NE-OD2 3.4Å; R570-D572 IonicContact NH2-OD1 2.69Å; R570-D572 IonicContact NH2-OD2 2.91Å; R570-D572 PolarHBondContact NH2-OD2 3.21Å; R570-S595 PolarHBondContact NH2-OG 3.07Å; R570-S595 VanDerWaalsContact NH2-OG 3.11Å; R570-E603 IonicContact CZ-OE2 2.77Å; R570-E603 IonicContact NH1-OE1 3.58Å; R570-E603 IonicContact NH1-OE2 3.51Å; R570-E603 PolarHBondContact NH1-OE2 3.43Å; R570-Q661 PolarHBondContact O-OE1 2.81Å; R570-H677 VanDerWaalsContact CZ-CE1 3.42Å; R570-H677 PolarHBondContact NH2-CE1 2.9Å
571	L	91.6	Very high	91.6	Very high	32 Å²	32	49.7 Å²	49.7	17%	0.168	27%	0.265	C	S	.	.			trans	-125	88.6	178.7	-65.3	179.6	0	0	0	108.3	L569 I664 V733 L736 T737 M740	L569-L571 HydrophobicContact CD1-CD2 3.91Å; L569-L571 HydrophobicContact CD1-CG 4.03Å; L569-L571 HydrophobicContact CD2-CD1 4.16Å; L569-L571 HydrophobicContact CD2-CG 4.24Å; L569-L571 HydrophobicContact CG-CD2 4.49Å; L569-L571 HydrophobicContact CG-CG 4.06Å; L571-I664 HydrophobicContact CD2-CD1 3.38Å; L571-V733 HydrophobicContact CB-CG1 4.12Å; L571-V733 HydrophobicContact CD2-CG1 4.3Å; L571-L736 HydrophobicContact CD1-CB 4.16Å; L571-L736 HydrophobicContact CD2-CB 4.44Å; L571-T737 WeakPolarHBondContact CB-OG1 3.44Å; L571-M740 HydrophobicContact CD1-CE 4.09Å; L571-M740 HydrophobicContact CD1-CG 3.97Å
572	D	85.7	Confident	91.2	Very high	33 Å²	33	53.7 Å²	53.7	18%	0.176	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-82.7	119.9	-178.4	-73.5	-9.5	0	0	0	110.4	R570 H677 Y678 V733	R570-D572 VanDerWaalsContact CG-OD1 3.31Å; R570-D572 WeakPolarHBondContact CG-OD1 3.13Å; R570-D572 IonicContact CZ-OD1 3.22Å; R570-D572 IonicContact CZ-OD2 3.43Å; R570-D572 VanDerWaalsContact CZ-OD2 3.3Å; R570-D572 VanDerWaalsContact NE-CG 3.29Å; R570-D572 IonicContact NE-OD1 3.38Å; R570-D572 PolarHBondContact NE-OD1 2.87Å; R570-D572 IonicContact NE-OD2 3.08Å; R570-D572 PolarHBondContact NE-OD2 3.4Å; R570-D572 IonicContact NH2-OD1 2.69Å; R570-D572 IonicContact NH2-OD2 2.91Å; R570-D572 PolarHBondContact NH2-OD2 3.21Å; D572-H677 IonicContact OD2-CE1 2.75Å; D572-H677 PolarHBondContact OD2-CE1 2.9Å; D572-H677 IonicContact OD2-ND1 3.62Å; D572-H677 PolarHBondContact OD2-ND1 3.03Å; D572-Y678 HydrophobicContact CB-CE1 4.43Å; D572-V733 WeakPolarHBondContact O-CG1 3.07Å
573	Q	85.7	Confident	90.9	Very high	86 Å²	86	58.4 Å²	58.4	40%	0.402	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-88.2	147	168.1	-60.3	-174.8	-61.2	0	0	109.2	K575 T737	Q573-K575 PolarHBondContact O-N 3.12Å; Q573-T737 HydrophobicContact CG-CG2 4.27Å
574	V	86.2	Confident	90.6	Very high	19 Å²	19	61.2 Å²	61.2	12%	0.115	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-62.5	125.9	173.3	179.8	0	0	0	0	108.6	P592 Y678 L682 L730	V574-P592 HydrophobicContact CG1-CB 3.96Å; V574-Y678 HydrophobicContact CG2-CD1 4.06Å; V574-Y678 HydrophobicContact CG2-CE1 4.07Å; V574-Y678 HydrophobicContact CG2-CG 4.43Å; V574-L682 HydrophobicContact CG2-CD2 4.22Å; V574-L730 HydrophobicContact CG2-CD1 4.45Å; V574-L730 HydrophobicContact CG2-CD2 3.76Å
575	K	87	Confident	90.3	Very high	143 Å²	143	62.4 Å²	62.4	62%	0.622	34%	0.336	S	S	*	.			trans	-112.7	135.2	172.7	-67	178.6	-177.9	173.8	0	108.3	Q573 P592 Y593	Q573-K575 PolarHBondContact O-N 3.12Å; K575-P592 CarbonylContact O-C 3.57Å; K575-P592 WeakPolarHBondContact O-CA 3.02Å; K575-Y593 PolarHBondContact O-N 2.78Å
576	S	87.4	Confident	90.1	Very high	31 Å²	31	57.1 Å²	57.1	22%	0.217	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	137.4	178	-61.6	0	0	0	0	111.3	A591 C874	S576-A591 CarbonylContact C-O 3.45Å; S576-A591 WeakPolarHBondContact CA-O 3.48Å; S576-C874 WeakPolarHBondContact OG-CA 3.43Å; S576-C874 WeakPolarHBondContact OG-CB 3.41Å; S576-C874 PolarHBondContact OG-O 2.77Å
577	T	88.4	Confident	90	Very high	59 Å²	59	54.2 Å²	54.2	36%	0.362	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.6	164	47.9	0	0	0	0	109.6	I590 A591 Y593	T577-I590 WeakPolarHBondContact O-CA 3.49Å; T577-A591 PolarHBondContact N-O 2.78Å; T577-A591 PolarHBondContact O-N 3.09Å; T577-A591 PolarHBondContact OG1-O 3.42Å; T577-Y593 HydrophobicContact CG2-CD2 3.76Å; T577-Y593 HydrophobicContact CG2-CG 4.31Å
578	F	91.2	Very high	89.6	Confident	31 Å²	31	55.7 Å²	55.7	14%	0.136	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.4	-178.5	-62.4	-92.4	0	0	0	110.1	V457 L580 P587 G589 I590 A839 F842 F843	V457-F578 HydrophobicContact CB-CD2 4.31Å; V457-F578 HydrophobicContact CG1-CB 3.77Å; V457-F578 HydrophobicContact CG1-CD2 3.55Å; V457-F578 HydrophobicContact CG1-CE2 4.38Å; V457-F578 HydrophobicContact CG1-CG 3.83Å; V457-F578 HydrophobicContact CG2-CD2 3.71Å; V457-F578 HydrophobicContact CG2-CE2 3.77Å; F578-L580 HydrophobicContact CB-CD2 3.8Å; F578-P587 HydrophobicContact CD1-CB 4.18Å; F578-G589 WeakPolarHBondContact CA-O 3.26Å; F578-I590 HydrophobicContact CD1-CB 4.41Å; F578-I590 HydrophobicContact CD1-CD1 4.48Å; F578-I590 HydrophobicContact CD1-CG1 4.39Å; F578-I590 HydrophobicContact CE1-CB 4.44Å; F578-I590 HydrophobicContact CE1-CD1 3.75Å; F578-I590 HydrophobicContact CE1-CG1 4.14Å; F578-I590 HydrophobicContact CZ-CD1 3.98Å; F578-A839 HydrophobicContact CE2-CB 4.26Å; F578-A839 VanDerWaalsContact CZ-O 3.31Å; F578-A839 WeakPolarHBondContact CZ-O 3.49Å; F578-F842 HydrophobicContact CD1-CB 3.86Å; F578-F842 HydrophobicContact CD2-CB 4.3Å; F578-F842 HydrophobicContact CE1-CB 3.66Å; F578-F842 HydrophobicContact CE2-CB 4.14Å; F578-F842 HydrophobicContact CG-CB 4.17Å; F578-F842 HydrophobicContact CZ-CB 3.82Å; F578-F843 HydrophobicContact CE1-CB 4.43Å; F578-F843 HydrophobicContact CZ-CB 4.33Å
579	S	91	Very high	89.2	Confident	55 Å²	55	55.7 Å²	55.7	39%	0.385	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.6	163.4	-60.6	0	0	0	0	107.2	P587 L588 G589	S579-P587 CarbonylContact O-C 3.54Å; S579-L588 PolarHBondContact O-N 2.89Å; S579-G589 PolarHBondContact N-O 2.59Å; S579-G589 PolarHBondContact O-N 3.41Å
580	L	92.4	Very high	88.8	Confident	45 Å²	45	56.1 Å²	56.1	24%	0.236	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.7	-176.8	-53.8	-175.8	0	0	0	110.4	V457 Q458 F578 N582 L586 P587 F842	V457-L580 HydrophobicContact CG1-CD1 4.3Å; V457-L580 HydrophobicContact CG1-CD2 4.28Å; Q458-L580 HydrophobicContact CB-CD1 3.68Å; F578-L580 HydrophobicContact CB-CD2 3.8Å; L580-N582 PolarHBondContact O-N 3.45Å; L580-L586 CarbonylContact C-O 3.5Å; L580-L586 WeakPolarHBondContact CA-O 3.47Å; L580-P587 HydrophobicContact CD2-CB 4.1Å; L580-F842 HydrophobicContact CD1-CE1 3.93Å; L580-F842 HydrophobicContact CD2-CD1 3.6Å; L580-F842 HydrophobicContact CD2-CE1 3.61Å; L580-F842 HydrophobicContact CG-CE1 4.44Å
581	N	90.9	Very high	88.4	Confident	38 Å²	38	56.2 Å²	56.2	20%	0.203	31%	0.307	C	S	.	.			trans	-69.5	124.6	167	-176.9	-57	0	0	0	108.9	E583 T584 G585 L586 L588	N581-E583 PolarHBondContact O-N 3.45Å; N581-E583 WeakPolarHBondContact OD1-CA 3.47Å; N581-E583 WeakPolarHBondContact OD1-CB 3.3Å; N581-E583 PolarHBondContact OD1-N 3.02Å; N581-T584 WeakPolarHBondContact CB-OG1 3.5Å; N581-T584 PolarHBondContact OD1-N 2.9Å; N581-G585 VanDerWaalsContact O-CA 3.23Å; N581-G585 WeakPolarHBondContact O-CA 3.23Å; N581-G585 PolarHBondContact O-N 3.48Å; N581-L586 PolarHBondContact N-O 2.82Å; N581-L588 HydrophobicContact CB-CD1 3.86Å; N581-L588 HydrophobicContact CB-CD2 4.04Å; N581-L588 HydrophobicContact CB-CG 3.87Å
582	N	87.9	Confident	88	Confident	170 Å²	170	55 Å²	55	91%	0.909	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.9	-176.5	-69.9	-32.8	0	0	0	113.7	L580	L580-N582 PolarHBondContact O-N 3.45Å
583	E	87.9	Confident	87.9	Confident	183 Å²	183	57.3 Å²	57.3	86%	0.855	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-47	-178.7	-59.2	-176.1	170.8	0	0	112	N581	N581-E583 PolarHBondContact O-N 3.45Å; N581-E583 WeakPolarHBondContact OD1-CA 3.47Å; N581-E583 WeakPolarHBondContact OD1-CB 3.3Å; N581-E583 PolarHBondContact OD1-N 3.02Å
584	T	87.6	Confident	87.7	Confident	79 Å²	79	54.4 Å²	54.4	49%	0.485	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-18	-174.3	66.7	0	0	0	0	113.7	N581 L586	N581-T584 WeakPolarHBondContact CB-OG1 3.5Å; N581-T584 PolarHBondContact OD1-N 2.9Å; T584-L586 PolarHBondContact O-N 2.95Å; T584-L586 WeakPolarHBondContact OG1-CB 3.49Å; T584-L586 PolarHBondContact OG1-N 2.89Å
585	G	89.2	Confident	87.6	Confident	26 Å²	26	54.6 Å²	54.6	27%	0.268	30%	0.297	S	S	.	.			trans	71.2	0.4	-172.2	0	0	0	0	0	114.5	I329 N581	I329-G585 WeakPolarHBondContact CD1-O 2.88Å; N581-G585 VanDerWaalsContact O-CA 3.23Å; N581-G585 WeakPolarHBondContact O-CA 3.23Å; N581-G585 PolarHBondContact O-N 3.48Å
586	L	90.5	Very high	87.7	Confident	47 Å²	47	50 Å²	50	25%	0.246	28%	0.277	C	S	.	.			trans	-71.7	146.2	179.4	-70.6	168.7	0	0	0	111.4	I329 L580 N581 T584 L588 E849	I329-L586 HydrophobicContact CD1-CD2 4.15Å; L580-L586 CarbonylContact C-O 3.5Å; L580-L586 WeakPolarHBondContact CA-O 3.47Å; N581-L586 PolarHBondContact N-O 2.82Å; T584-L586 PolarHBondContact O-N 2.95Å; T584-L586 WeakPolarHBondContact OG1-CB 3.49Å; T584-L586 PolarHBondContact OG1-N 2.89Å; L586-L588 PolarHBondContact O-N 2.83Å; L586-E849 HydrophobicContact CD1-CG 4.41Å; L586-E849 HydrophobicContact CD2-CG 4.32Å
587	P	91.7	Very high	87.9	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.032	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	123	175.1	29.5	-34.3	0	0	0	111.2	F578 S579 L580 F842 L845 F846	F578-P587 HydrophobicContact CD1-CB 4.18Å; S579-P587 CarbonylContact O-C 3.54Å; L580-P587 HydrophobicContact CD2-CB 4.1Å; P587-F842 HydrophobicContact CB-CD1 4.38Å; P587-F842 HydrophobicContact CG-CD1 4.45Å; P587-F842 WeakPolarHBondContact CG-O 3.47Å; P587-L845 HydrophobicContact CG-CB 3.87Å; P587-F846 HydrophobicContact CB-CB 4.08Å; P587-F846 HydrophobicContact CB-CD2 4.39Å; P587-F846 HydrophobicContact CG-CB 3.78Å
588	L	87.8	Confident	88.2	Confident	45 Å²	45	49.1 Å²	49.1	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-28.9	173.4	-65.5	171.7	0	0	0	112.2	S579 N581 L586 I695 L700	S579-L588 PolarHBondContact O-N 2.89Å; N581-L588 HydrophobicContact CB-CD1 3.86Å; N581-L588 HydrophobicContact CB-CD2 4.04Å; N581-L588 HydrophobicContact CB-CG 3.87Å; L586-L588 PolarHBondContact O-N 2.83Å; L588-I695 WeakPolarHBondContact O-CD1 3.24Å; L588-L700 HydrophobicContact CD1-CD1 3.97Å
589	G	86.2	Confident	88.4	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	159.1	-176	0	0	0	0	0	112.3	F578 S579	F578-G589 WeakPolarHBondContact CA-O 3.26Å; S579-G589 PolarHBondContact N-O 2.59Å; S579-G589 PolarHBondContact O-N 3.41Å
590	I	86.5	Confident	88.5	Confident	17 Å²	17	47.4 Å²	47.4	9%	0.087	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.9	176.3	-174.4	170.5	0	0	0	109.9	T577 F578 F843 F846 C874	T577-I590 WeakPolarHBondContact O-CA 3.49Å; F578-I590 HydrophobicContact CD1-CB 4.41Å; F578-I590 HydrophobicContact CD1-CD1 4.48Å; F578-I590 HydrophobicContact CD1-CG1 4.39Å; F578-I590 HydrophobicContact CE1-CB 4.44Å; F578-I590 HydrophobicContact CE1-CD1 3.75Å; F578-I590 HydrophobicContact CE1-CG1 4.14Å; F578-I590 HydrophobicContact CZ-CD1 3.98Å; I590-F843 HydrophobicContact CD1-CD2 3.48Å; I590-F843 VanDerWaalsContact CD1-CD2 3.48Å; I590-F843 HydrophobicContact CD1-CE2 3.98Å; I590-F846 HydrophobicContact CG2-CD1 4.02Å; I590-F846 HydrophobicContact CG2-CE1 3.7Å; I590-F846 HydrophobicContact CG2-CZ 3.97Å; I590-C874 HydrophobicContact CD1-CB 3.87Å
591	A	83.3	Confident	88.8	Confident	36 Å²	36	45.3 Å²	45.3	30%	0.298	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.6	173.5	0	0	0	0	0	110.4	S576 T577	S576-A591 CarbonylContact C-O 3.45Å; S576-A591 WeakPolarHBondContact CA-O 3.48Å; T577-A591 PolarHBondContact N-O 2.78Å; T577-A591 PolarHBondContact O-N 3.09Å; T577-A591 PolarHBondContact OG1-O 3.42Å
592	P	82.9	Confident	89.1	Confident	7 Å²	7	43.8 Å²	43.8	5%	0.045	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	136.1	168.9	30.6	-34.1	0	0	0	110.4	V574 K575 I594 Y678 V683	V574-P592 HydrophobicContact CG1-CB 3.96Å; K575-P592 CarbonylContact O-C 3.57Å; K575-P592 WeakPolarHBondContact O-CA 3.02Å; P592-I594 HydrophobicContact CB-CD1 4.43Å; P592-I594 HydrophobicContact CG-CD1 4.24Å; P592-I594 PolarHBondContact O-N 3.03Å; P592-Y678 HydrophobicContact CB-CE2 4.13Å; P592-V683 HydrophobicContact CG-CG2 3.99Å
593	Y	84.5	Confident	89.5	Confident	80 Å²	80	38.3 Å²	38.3	31%	0.314	20%	0.201	S	C	.	.			trans	-69.3	111.1	171.9	-175.5	-101.8	0	0	0	109.9	K575 T577 N599 Y678	K575-Y593 PolarHBondContact O-N 2.78Å; T577-Y593 HydrophobicContact CG2-CD2 3.76Å; T577-Y593 HydrophobicContact CG2-CG 4.31Å; Y593-N599 PolarHBondContact OH-ND2 3.08Å; Y593-N599 VanDerWaalsContact OH-ND2 3.07Å; Y593-Y678 WeakPolarHBondContact O-CE2 3.45Å; Y593-Y678 PolarHBondContact O-OH 2.94Å
594	I	82.2	Confident	90	Very high	26 Å²	26	29.9 Å²	29.9	13%	0.133	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-90.8	123.7	177.2	-52.6	-59.2	0	0	0	109.8	P592 K596 Y678 V683	P592-I594 HydrophobicContact CB-CD1 4.43Å; P592-I594 HydrophobicContact CG-CD1 4.24Å; P592-I594 PolarHBondContact O-N 3.03Å; I594-K596 PolarHBondContact O-N 2.93Å; I594-Y678 HydrophobicContact CD1-CD2 3.49Å; I594-Y678 VanDerWaalsContact CD1-CD2 3.49Å; I594-Y678 HydrophobicContact CD1-CE2 3.36Å; I594-V683 HydrophobicContact CD1-CG2 3.61Å; I594-V683 HydrophobicContact CG1-CG2 3.69Å
595	S	84.4	Confident	90.6	Very high	23 Å²	23	26.1 Å²	26.1	16%	0.161	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-76.9	117	172.2	-175.8	0	0	0	0	109.4	R570 N599 W600	R570-S595 PolarHBondContact NH2-OG 3.07Å; R570-S595 VanDerWaalsContact NH2-OG 3.11Å; S595-N599 WeakPolarHBondContact CA-OD1 3.4Å; S595-W600 PolarHBondContact OG-NE1 3.15Å
596	K	87.3	Confident	91	Very high	47 Å²	47	25.7 Å²	25.7	20%	0.204	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-96.9	173.6	-178.3	-57.5	-177.2	172.8	-173.4	0	111.7	Q518 I594 S598 N599 W600	Q518-K596 HydrophobicContact CB-CD 4.24Å; Q518-K596 HydrophobicContact CG-CB 4.4Å; Q518-K596 HydrophobicContact CG-CD 4Å; I594-K596 PolarHBondContact O-N 2.93Å; K596-S598 VanDerWaalsContact C-N 3.27Å; K596-S598 PolarHBondContact O-N 2.92Å; K596-N599 PolarHBondContact N-OD1 3.36Å; K596-N599 WeakPolarHBondContact O-CB 3.32Å; K596-N599 PolarHBondContact O-N 2.73Å; K596-N599 VanDerWaalsContact O-N 3.09Å; K596-W600 PolarHBondContact O-N 2.92Å
597	Q	92	Very high	91.4	Very high	70 Å²	70	24 Å²	24	33%	0.327	12%	0.12	S	C	.	.	H	α-helix	trans	-61.8	-36.7	178.8	-65.9	-171.1	14.2	0	0	111.9	Q518 I521 N599 W600 L601	Q518-Q597 VanDerWaalsContact OE1-N 3.1Å; I521-Q597 HydrophobicContact CD1-CB 4.2Å; I521-Q597 HydrophobicContact CG2-CB 4.45Å; I521-Q597 VanDerWaalsContact CG2-OE1 3.31Å; Q597-N599 VanDerWaalsContact C-N 3.25Å; Q597-N599 PolarHBondContact O-N 2.88Å; Q597-W600 HydrophobicContact CB-CE3 4.31Å; Q597-W600 HydrophobicContact CG-CE3 3.98Å; Q597-W600 HydrophobicContact CG-CH2 4.47Å; Q597-W600 HydrophobicContact CG-CZ3 3.74Å; Q597-W600 WeakPolarHBondContact O-CB 3.17Å; Q597-W600 PolarHBondContact O-N 2.83Å; Q597-L601 PolarHBondContact O-N 3.43Å
598	S	95.8	Very high	91.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.9	-34.3	174	59.6	0	0	0	0	113.2	Y514 K596 I602	Y514-S598 WeakPolarHBondContact O-CB 3.48Å; Y514-S598 PolarHBondContact O-OG 3.05Å; K596-S598 VanDerWaalsContact C-N 3.27Å; K596-S598 PolarHBondContact O-N 2.92Å; S598-I602 PolarHBondContact O-N 3.38Å
599	N	94.2	Very high	92.3	Very high	16 Å²	16	22 Å²	22	9%	0.086	11%	0.111	C	C	.	.	H	α-helix	trans	-66.8	-39.6	172.5	-60.8	117.1	0	0	0	112.1	Y514 Y593 S595 K596 Q597 I602 E603	Y514-N599 HydrophobicContact CD1-CB 4.37Å; Y514-N599 WeakPolarHBondContact CD1-ND2 3.49Å; Y514-N599 WeakPolarHBondContact CD2-ND2 3.13Å; Y514-N599 HydrophobicContact CE1-CB 4.28Å; Y514-N599 VanDerWaalsContact CE1-ND2 3.26Å; Y514-N599 WeakPolarHBondContact CE1-ND2 3.32Å; Y593-N599 PolarHBondContact OH-ND2 3.08Å; Y593-N599 VanDerWaalsContact OH-ND2 3.07Å; S595-N599 WeakPolarHBondContact CA-OD1 3.4Å; K596-N599 PolarHBondContact N-OD1 3.36Å; K596-N599 WeakPolarHBondContact O-CB 3.32Å; K596-N599 PolarHBondContact O-N 2.73Å; K596-N599 VanDerWaalsContact O-N 3.09Å; Q597-N599 VanDerWaalsContact C-N 3.25Å; Q597-N599 PolarHBondContact O-N 2.88Å; N599-I602 PolarHBondContact O-N 3.17Å; N599-E603 WeakPolarHBondContact O-CB 3.35Å; N599-E603 PolarHBondContact O-N 3.4Å
600	W	93.9	Very high	92.9	Very high	34 Å²	34	22.1 Å²	22.1	13%	0.129	11%	0.111	C	C	.	.	H	α-helix	trans	-70.7	-36	-178.7	-52.9	-19.4	0	0	0	111.5	S595 K596 Q597 I602 E603 E604 V674 H677	S595-W600 PolarHBondContact OG-NE1 3.15Å; K596-W600 PolarHBondContact O-N 2.92Å; Q597-W600 HydrophobicContact CB-CE3 4.31Å; Q597-W600 HydrophobicContact CG-CE3 3.98Å; Q597-W600 HydrophobicContact CG-CH2 4.47Å; Q597-W600 HydrophobicContact CG-CZ3 3.74Å; Q597-W600 WeakPolarHBondContact O-CB 3.17Å; Q597-W600 PolarHBondContact O-N 2.83Å; W600-I602 VanDerWaalsContact C-N 3.34Å; W600-I602 PolarHBondContact O-N 2.84Å; W600-E603 PolarHBondContact O-N 3.46Å; W600-E604 WeakPolarHBondContact O-CG 3.5Å; W600-E604 PolarHBondContact O-N 3.23Å; W600-V674 HydrophobicContact CH2-CG1 3.99Å; W600-V674 HydrophobicContact CZ3-CG1 4.25Å; W600-H677 AromaticContact CE2-NE2 3.69Å; W600-H677 AromaticContact CH2-CD2 3.85Å; W600-H677 AromaticContact CZ2-CD2 3.34Å; W600-H677 WeakPolarHBondContact CZ2-CD2 3.37Å; W600-H677 AromaticContact CZ2-CE1 3.96Å; W600-H677 AromaticContact CZ2-NE2 3.31Å; W600-H677 VanDerWaalsContact CZ2-NE2 3.31Å; W600-H677 WeakPolarHBondContact CZ2-NE2 3.45Å; W600-H677 AromaticContact NE1-CE1 3.96Å; W600-H677 AromaticContact NE1-NE2 3.98Å
601	L	97.5	Very high	93.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-51.4	-54.5	171.4	175.1	160.9	0	0	0	110.7	I389 L401 V549 L552 N553 A556 Q597 W605	I389-L601 HydrophobicContact CD1-CD2 4.02Å; L401-L601 HydrophobicContact CD1-CD2 3.94Å; V549-L601 HydrophobicContact CG1-CD1 4.25Å; L552-L601 HydrophobicContact CB-CD1 3.98Å; L552-L601 HydrophobicContact CB-CD2 4.47Å; L552-L601 HydrophobicContact CB-CG 4.27Å; N553-L601 HydrophobicContact CB-CD1 3.71Å; A556-L601 HydrophobicContact CB-CB 4.44Å; Q597-L601 PolarHBondContact O-N 3.43Å; L601-W605 PolarHBondContact O-N 3.14Å
602	I	98.4	Very high	94.2	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-65.2	-45.2	178.6	-62.6	-62.2	0	0	0	110.6	I389 L401 Y514 S598 N599 W600 E604 W605 M606	I389-I602 HydrophobicContact CB-CD1 3.76Å; I389-I602 HydrophobicContact CB-CG1 3.89Å; I389-I602 HydrophobicContact CD1-CD1 3.99Å; I389-I602 HydrophobicContact CD1-CG1 4.4Å; I389-I602 HydrophobicContact CG1-CD1 4.01Å; I389-I602 HydrophobicContact CG2-CG1 4.33Å; L401-I602 HydrophobicContact CD1-CD1 3.57Å; L401-I602 HydrophobicContact CG-CD1 4.39Å; Y514-I602 HydrophobicContact CE1-CB 4.27Å; Y514-I602 HydrophobicContact CE1-CG1 3.91Å; S598-I602 PolarHBondContact O-N 3.38Å; N599-I602 PolarHBondContact O-N 3.17Å; W600-I602 VanDerWaalsContact C-N 3.34Å; W600-I602 PolarHBondContact O-N 2.84Å; I602-E604 PolarHBondContact O-N 3.14Å; I602-W605 PolarHBondContact O-N 3.36Å; I602-M606 HydrophobicContact CG2-CE 4.41Å; I602-M606 HydrophobicContact CG2-CG 3.91Å; I602-M606 WeakPolarHBondContact O-CB 3.44Å; I602-M606 VanDerWaalsContact O-CG 3.27Å; I602-M606 WeakPolarHBondContact O-CG 3.41Å; I602-M606 PolarHBondContact O-N 3.32Å
603	E	96.9	Very high	94.9	Very high	56 Å²	56	23.6 Å²	23.6	26%	0.262	11%	0.111	S	C	.	.	H	α-helix	trans	-51.6	-51	179	-175.1	-176.8	-164.2	0	0	112.3	R560 R570 N599 W600 W605 M606 L607	R560-E603 IonicContact CZ-OE2 2.81Å; R560-E603 IonicContact NH1-OE2 2.84Å; R560-E603 PolarHBondContact NH1-OE2 3.32Å; R570-E603 IonicContact CZ-OE2 2.77Å; R570-E603 IonicContact NH1-OE1 3.58Å; R570-E603 IonicContact NH1-OE2 3.51Å; R570-E603 PolarHBondContact NH1-OE2 3.43Å; N599-E603 WeakPolarHBondContact O-CB 3.35Å; N599-E603 PolarHBondContact O-N 3.4Å; W600-E603 PolarHBondContact O-N 3.46Å; E603-W605 PolarHBondContact O-N 2.84Å; E603-M606 PolarHBondContact O-N 2.94Å; E603-L607 HydrophobicContact CG-CD1 3.95Å; E603-L607 HydrophobicContact CG-CG 4.26Å; E603-L607 VanDerWaalsContact O-CB 3.29Å; E603-L607 WeakPolarHBondContact O-CB 3.24Å; E603-L607 WeakPolarHBondContact O-CG 3.47Å; E603-L607 PolarHBondContact O-N 2.93Å
604	E	97.9	Very high	95.6	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.028	10%	0.096	C	C	.	.	H	α-helix	trans	-66.9	-37.8	-176.1	-62.3	-54.4	143.2	0	0	112.9	A556 R560 R563 W600 I602 L607 A608	A556-E604 HydrophobicContact CB-CB 4.1Å; A556-E604 HydrophobicContact CB-CG 4.37Å; R560-E604 HydrophobicContact CB-CG 3.86Å; R560-E604 WeakPolarHBondContact CB-OE1 3.26Å; R560-E604 WeakPolarHBondContact CG-OE1 3.31Å; R560-E604 IonicContact NH1-OE1 2.74Å; R560-E604 PolarHBondContact NH1-OE1 3Å; R560-E604 VanDerWaalsContact NH1-OE1 3.09Å; R563-E604 IonicContact CZ-OE1 3.89Å; R563-E604 IonicContact CZ-OE2 3.62Å; R563-E604 IonicContact NE-OE1 3.42Å; R563-E604 PolarHBondContact NE-OE1 3.38Å; R563-E604 IonicContact NE-OE2 3.16Å; R563-E604 PolarHBondContact NE-OE2 3.46Å; R563-E604 IonicContact NH2-OE1 3.54Å; R563-E604 PolarHBondContact NH2-OE1 3.42Å; R563-E604 IonicContact NH2-OE2 2.94Å; W600-E604 WeakPolarHBondContact O-CG 3.5Å; W600-E604 PolarHBondContact O-N 3.23Å; I602-E604 PolarHBondContact O-N 3.14Å; E604-L607 PolarHBondContact O-N 3.1Å; E604-A608 WeakPolarHBondContact O-CB 3.3Å; E604-A608 PolarHBondContact O-N 2.65Å
605	W	98.7	Very high	96.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-70	-39	176.6	-71.4	118.8	0	0	0	112	L401 V426 V428 F488 V490 L552 L555 M559 L601 I602 E603 A608 A609	L401-W605 HydrophobicContact CD1-CB 4.39Å; L401-W605 HydrophobicContact CD1-CG 4.35Å; L401-W605 HydrophobicContact CD2-CB 4.08Å; L401-W605 HydrophobicContact CD2-CG 4.44Å; V426-W605 HydrophobicContact CB-CH2 3.87Å; V426-W605 HydrophobicContact CB-CZ2 4.37Å; V426-W605 HydrophobicContact CB-CZ3 3.93Å; V426-W605 HydrophobicContact CG1-CD2 3.93Å; V426-W605 HydrophobicContact CG1-CE3 3.73Å; V426-W605 HydrophobicContact CG1-CH2 3.73Å; V426-W605 HydrophobicContact CG1-CZ2 3.89Å; V426-W605 HydrophobicContact CG1-CZ3 3.63Å; V426-W605 HydrophobicContact CG2-CH2 3.65Å; V426-W605 HydrophobicContact CG2-CZ2 3.96Å; V426-W605 HydrophobicContact CG2-CZ3 4.24Å; V428-W605 HydrophobicContact CG2-CB 4.15Å; F488-W605 HydrophobicContact CD2-CE3 4.17Å; F488-W605 HydrophobicContact CD2-CZ3 4.02Å; F488-W605 HydrophobicContact CE2-CE3 4.36Å; V490-W605 HydrophobicContact CG2-CH2 4.3Å; L552-W605 HydrophobicContact CD2-CZ2 4.03Å; L552-W605 PolarHBondContact O-NE1 2.74Å; L555-W605 HydrophobicContact CB-CH2 4.39Å; L555-W605 HydrophobicContact CB-CZ2 3.8Å; L555-W605 HydrophobicContact CD1-CH2 4.42Å; L555-W605 HydrophobicContact CD1-CZ2 4.18Å; M559-W605 HydrophobicContact CE-CE3 4.39Å; M559-W605 HydrophobicContact CE-CZ3 4.25Å; M559-W605 HydrophobicContact SD-CE3 4.38Å; M559-W605 HydrophobicContact SD-CH2 3.81Å; M559-W605 HydrophobicContact SD-CZ2 4.17Å; M559-W605 HydrophobicContact SD-CZ3 3.94Å; L601-W605 PolarHBondContact O-N 3.14Å; I602-W605 PolarHBondContact O-N 3.36Å; E603-W605 PolarHBondContact O-N 2.84Å; W605-A608 PolarHBondContact O-N 2.87Å; W605-A609 PolarHBondContact O-N 3.01Å
606	M	98.6	Very high	97.1	Very high	17 Å²	17	23.9 Å²	23.9	8%	0.084	11%	0.11	C	C	.	.	H	α-helix	trans	-65.2	-41.2	172.7	-64.6	-49.5	115.9	0	0	111.8	D399 L401 V428 I430 I602 E603 A609 N610 T771	D399-M606 HydrophobicContact CB-CE 3.97Å; D399-M606 HydrophobicContact CB-SD 3.83Å; D399-M606 VanDerWaalsContact OD1-CE 3.26Å; D399-M606 WeakPolarHBondContact OD1-CE 3.31Å; L401-M606 HydrophobicContact CD2-CE 3.93Å; V428-M606 HydrophobicContact CG1-CE 3.63Å; V428-M606 HydrophobicContact CG1-SD 4.11Å; I430-M606 HydrophobicContact CD1-SD 4.21Å; I602-M606 HydrophobicContact CG2-CE 4.41Å; I602-M606 HydrophobicContact CG2-CG 3.91Å; I602-M606 WeakPolarHBondContact O-CB 3.44Å; I602-M606 VanDerWaalsContact O-CG 3.27Å; I602-M606 WeakPolarHBondContact O-CG 3.41Å; I602-M606 PolarHBondContact O-N 3.32Å; E603-M606 PolarHBondContact O-N 2.94Å; M606-A609 PolarHBondContact O-N 2.93Å; M606-N610 VanDerWaalsContact O-CB 3.29Å; M606-N610 WeakPolarHBondContact O-CB 3.35Å; M606-N610 VanDerWaalsContact O-CG 3.25Å; M606-N610 PolarHBondContact O-N 2.86Å; M606-N610 PolarHBondContact O-ND2 3.46Å; M606-N610 VanDerWaalsContact O-ND2 3.17Å; M606-T771 HydrophobicContact CB-CG2 4.23Å; M606-T771 HydrophobicContact CG-CG2 4.49Å; M606-T771 VanDerWaalsContact SD-CB 3.53Å; M606-T771 HydrophobicContact SD-CG2 3.61Å
607	L	98.6	Very high	97.6	Very high	10 Å²	10	21.7 Å²	21.7	5%	0.052	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-41.8	174.9	-76.6	-179.7	0	0	0	111.7	E603 E604 K611 L762 M764 Y767	E603-L607 HydrophobicContact CG-CD1 3.95Å; E603-L607 HydrophobicContact CG-CG 4.26Å; E603-L607 VanDerWaalsContact O-CB 3.29Å; E603-L607 WeakPolarHBondContact O-CB 3.24Å; E603-L607 WeakPolarHBondContact O-CG 3.47Å; E603-L607 PolarHBondContact O-N 2.93Å; E604-L607 PolarHBondContact O-N 3.1Å; L607-K611 VanDerWaalsContact O-CB 3.23Å; L607-K611 WeakPolarHBondContact O-CB 3.43Å; L607-K611 PolarHBondContact O-N 3.26Å; L607-L762 HydrophobicContact CD1-CD2 4.11Å; L607-L762 HydrophobicContact CD2-CD1 3.69Å; L607-L762 HydrophobicContact CD2-CD2 3.91Å; L607-L762 HydrophobicContact CD2-CG 4.44Å; L607-M764 HydrophobicContact CB-CE 4.2Å; L607-M764 HydrophobicContact CD2-CE 4.45Å; L607-Y767 HydrophobicContact CD2-CE2 3.67Å
608	A	98.7	Very high	97.9	Very high	8 Å²	8	19.1 Å²	19.1	7%	0.066	9%	0.091	C	C	.	.	H	α-helix	trans	-63.2	-43.9	176.8	0	0	0	0	0	112.2	F488 I496 M559 E604 W605 S612	F488-A608 HydrophobicContact CE2-CB 4.19Å; F488-A608 HydrophobicContact CZ-CB 3.9Å; I496-A608 HydrophobicContact CD1-CB 4.09Å; M559-A608 HydrophobicContact CE-CB 3.72Å; E604-A608 WeakPolarHBondContact O-CB 3.3Å; E604-A608 PolarHBondContact O-N 2.65Å; W605-A608 PolarHBondContact O-N 2.87Å; A608-S612 VanDerWaalsContact O-CB 3.29Å; A608-S612 WeakPolarHBondContact O-CB 3.39Å; A608-S612 PolarHBondContact O-N 3.31Å; A608-S612 PolarHBondContact O-OG 3.13Å
609	A	98.9	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.8	-52.8	175.2	0	0	0	0	0	111.4	V428 V486 F488 W605 M606 K611 S612 V613 T771	V428-A609 HydrophobicContact CB-CB 4.29Å; V428-A609 HydrophobicContact CG1-CB 3.93Å; V428-A609 HydrophobicContact CG2-CB 4.48Å; V486-A609 HydrophobicContact CB-CB 4.26Å; V486-A609 HydrophobicContact CG2-CB 4.02Å; F488-A609 HydrophobicContact CZ-CB 4.5Å; W605-A609 PolarHBondContact O-N 3.01Å; M606-A609 PolarHBondContact O-N 2.93Å; A609-K611 PolarHBondContact O-N 2.93Å; A609-S612 PolarHBondContact O-N 2.69Å; A609-V613 WeakPolarHBondContact O-CG2 3.27Å; A609-V613 PolarHBondContact O-N 3.14Å; A609-T771 HydrophobicContact CB-CG2 3.85Å
610	N	98.8	Very high	98.1	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-57.5	-45	179	-77.4	-28.4	0	0	0	112.8	M606 A614 Y767 T768 F770 T771	M606-N610 VanDerWaalsContact O-CB 3.29Å; M606-N610 WeakPolarHBondContact O-CB 3.35Å; M606-N610 VanDerWaalsContact O-CG 3.25Å; M606-N610 PolarHBondContact O-N 2.86Å; M606-N610 PolarHBondContact O-ND2 3.46Å; M606-N610 VanDerWaalsContact O-ND2 3.17Å; N610-A614 WeakPolarHBondContact O-CB 3.42Å; N610-A614 PolarHBondContact O-N 3.12Å; N610-Y767 HydrophobicContact CB-CD2 4.14Å; N610-Y767 HydrophobicContact CB-CE2 3.48Å; N610-Y767 VanDerWaalsContact CB-CE2 3.48Å; N610-Y767 PolarHBondContact ND2-OH 2.74Å; N610-T768 VanDerWaalsContact CB-O 3.28Å; N610-T768 WeakPolarHBondContact CB-O 3.4Å; N610-F770 WeakPolarHBondContact OD1-CB 3.43Å; N610-F770 PolarHBondContact OD1-N 3.45Å; N610-T771 PolarHBondContact ND2-OG1 2.84Å; N610-T771 WeakPolarHBondContact OD1-CG2 3.45Å; N610-T771 PolarHBondContact OD1-N 3.13Å
611	K	98.7	Very high	98.2	Very high	80 Å²	80	28.7 Å²	28.7	35%	0.348	13%	0.132	S	C	.	.	H	α-helix	trans	-62.4	-47.6	176.1	179.6	-172.9	168.3	-168.9	0	111.4	L607 A609 V613 A614 E615 M764	L607-K611 VanDerWaalsContact O-CB 3.23Å; L607-K611 WeakPolarHBondContact O-CB 3.43Å; L607-K611 PolarHBondContact O-N 3.26Å; A609-K611 PolarHBondContact O-N 2.93Å; K611-V613 PolarHBondContact O-N 3.06Å; K611-A614 WeakPolarHBondContact O-CB 3.43Å; K611-A614 PolarHBondContact O-N 3.06Å; K611-E615 WeakPolarHBondContact CE-OE1 3.47Å; K611-E615 IonicContact NZ-OE1 3.44Å; K611-E615 WeakPolarHBondContact O-CG 3.39Å; K611-E615 PolarHBondContact O-N 2.95Å; K611-M764 HydrophobicContact CB-SD 4.05Å; K611-M764 HydrophobicContact CD-CE 4.47Å; K611-M764 HydrophobicContact CD-SD 4.22Å; K611-M764 HydrophobicContact CG-SD 4.26Å
612	S	98.8	Very high	98.1	Very high	11 Å²	11	31 Å²	31	8%	0.077	15%	0.146	C	C	.	.	H	α-helix	trans	-65.7	-39.1	-176.3	-57.1	0	0	0	0	111.9	F488 A608 A609 R616	F488-S612 WeakPolarHBondContact CE1-OG 3.4Å; A608-S612 VanDerWaalsContact O-CB 3.29Å; A608-S612 WeakPolarHBondContact O-CB 3.39Å; A608-S612 PolarHBondContact O-N 3.31Å; A608-S612 PolarHBondContact O-OG 3.13Å; A609-S612 PolarHBondContact O-N 2.69Å; S612-R616 WeakPolarHBondContact O-CB 3.5Å; S612-R616 PolarHBondContact O-N 3.38Å
613	V	98.9	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-44.6	172.6	175	0	0	0	0	110.5	V486 F501 A609 K611 E615 R616 L617 T768 F770 V782 L786	V486-V613 HydrophobicContact CG2-CG2 4.03Å; F501-V613 HydrophobicContact CD1-CG2 4.05Å; F501-V613 HydrophobicContact CE1-CB 4.49Å; F501-V613 HydrophobicContact CE1-CG2 3.64Å; A609-V613 WeakPolarHBondContact O-CG2 3.27Å; A609-V613 PolarHBondContact O-N 3.14Å; K611-V613 PolarHBondContact O-N 3.06Å; V613-E615 PolarHBondContact O-N 2.68Å; V613-R616 CarbonylContact O-C 3.59Å; V613-R616 WeakPolarHBondContact O-CB 3.36Å; V613-R616 PolarHBondContact O-N 3.33Å; V613-R616 VanDerWaalsContact O-N 3.13Å; V613-L617 HydrophobicContact CG1-CD1 4.4Å; V613-L617 HydrophobicContact CG1-CG 4.16Å; V613-L617 WeakPolarHBondContact O-CG 3.44Å; V613-L617 PolarHBondContact O-N 2.72Å; V613-T768 HydrophobicContact CB-CG2 4.3Å; V613-T768 HydrophobicContact CG1-CG2 4.04Å; V613-F770 HydrophobicContact CB-CB 4.35Å; V613-F770 HydrophobicContact CB-CG 4.4Å; V613-F770 HydrophobicContact CG1-CB 4.33Å; V613-F770 HydrophobicContact CG1-CD2 4.16Å; V613-F770 HydrophobicContact CG1-CG 4.38Å; V613-F770 HydrophobicContact CG2-CB 4.22Å; V613-F770 HydrophobicContact CG2-CD1 3.98Å; V613-F770 HydrophobicContact CG2-CD2 3.98Å; V613-F770 HydrophobicContact CG2-CE1 4.35Å; V613-F770 HydrophobicContact CG2-CE2 4.35Å; V613-F770 HydrophobicContact CG2-CG 3.79Å; V613-V782 HydrophobicContact CG1-CG1 3.54Å; V613-L786 HydrophobicContact CG1-CD2 4.36Å; V613-L786 HydrophobicContact CG2-CD2 4.14Å
614	A	98.8	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-43.9	177.8	0	0	0	0	0	112.9	N610 K611 R616 L617 A618 L627 L766 Y767 T768	N610-A614 WeakPolarHBondContact O-CB 3.42Å; N610-A614 PolarHBondContact O-N 3.12Å; K611-A614 WeakPolarHBondContact O-CB 3.43Å; K611-A614 PolarHBondContact O-N 3.06Å; A614-R616 VanDerWaalsContact C-N 3.33Å; A614-L617 PolarHBondContact O-N 3.38Å; A614-A618 WeakPolarHBondContact O-CB 3.4Å; A614-A618 PolarHBondContact O-N 3.22Å; A614-L627 HydrophobicContact CB-CD2 3.87Å; A614-L766 HydrophobicContact CB-CB 4.09Å; A614-Y767 VanDerWaalsContact CB-C 3.48Å; A614-T768 HydrophobicContact CB-CG2 3.97Å
615	E	98.6	Very high	97.8	Very high	90 Å²	90	33 Å²	33	42%	0.421	16%	0.161	S	C	.	.	H	α-helix	trans	-62.8	-39.9	174.9	-72	175.5	169.7	0	0	111.5	K611 V613 K619 L766	K611-E615 WeakPolarHBondContact CE-OE1 3.47Å; K611-E615 IonicContact NZ-OE1 3.44Å; K611-E615 WeakPolarHBondContact O-CG 3.39Å; K611-E615 PolarHBondContact O-N 2.95Å; V613-E615 PolarHBondContact O-N 2.68Å; E615-K619 WeakPolarHBondContact O-CB 2.98Å; E615-K619 PolarHBondContact O-N 2.69Å; E615-K619 VanDerWaalsContact O-N 3.15Å; E615-L766 HydrophobicContact CG-CB 4.44Å; E615-L766 HydrophobicContact CG-CD1 4.27Å
616	R	98.3	Very high	97.8	Very high	46 Å²	46	33 Å²	33	17%	0.174	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-49.4	174.3	-175.6	65.6	77.5	111.3	-1.6	111.2	F501 S612 V613 A614 K619 Y620 L786 I789 E793	F501-R616 HydrophobicContact CE2-CB 4.41Å; F501-R616 HydrophobicContact CE2-CG 4.49Å; F501-R616 HydrophobicContact CZ-CB 4.28Å; S612-R616 WeakPolarHBondContact O-CB 3.5Å; S612-R616 PolarHBondContact O-N 3.38Å; V613-R616 CarbonylContact O-C 3.59Å; V613-R616 WeakPolarHBondContact O-CB 3.36Å; V613-R616 PolarHBondContact O-N 3.33Å; V613-R616 VanDerWaalsContact O-N 3.13Å; A614-R616 VanDerWaalsContact C-N 3.33Å; R616-K619 PolarHBondContact O-N 3.43Å; R616-Y620 VanDerWaalsContact CD-CE2 3.47Å; R616-Y620 HydrophobicContact CG-CD2 4.46Å; R616-Y620 WeakPolarHBondContact O-CD2 3.34Å; R616-Y620 PolarHBondContact O-N 3.49Å; R616-L786 HydrophobicContact CG-CD1 3.89Å; R616-I789 HydrophobicContact CG-CD1 4.39Å; R616-I789 HydrophobicContact CG-CG2 4.4Å; R616-E793 IonicContact CZ-OE2 3.26Å; R616-E793 VanDerWaalsContact NH1-CD 3.26Å; R616-E793 IonicContact NH1-OE1 3Å; R616-E793 PolarHBondContact NH1-OE1 2.84Å; R616-E793 IonicContact NH1-OE2 2.73Å; R616-E793 PolarHBondContact NH1-OE2 3.28Å
617	L	98.5	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-51.5	178.9	-65.5	-168.6	0	0	0	111.6	V613 A614 K619 Y620 L621 A625 L627 V782 Q785 L786 I789	V613-L617 HydrophobicContact CG1-CD1 4.4Å; V613-L617 HydrophobicContact CG1-CG 4.16Å; V613-L617 WeakPolarHBondContact O-CG 3.44Å; V613-L617 PolarHBondContact O-N 2.72Å; A614-L617 PolarHBondContact O-N 3.38Å; L617-K619 PolarHBondContact O-N 3.31Å; L617-Y620 PolarHBondContact O-N 3.16Å; L617-L621 HydrophobicContact CD2-CD1 4.42Å; L617-L621 WeakPolarHBondContact O-CA 3.49Å; L617-L621 WeakPolarHBondContact O-CB 3.41Å; L617-L621 PolarHBondContact O-N 2.88Å; L617-A625 HydrophobicContact CB-CB 3.85Å; L617-L627 HydrophobicContact CB-CD2 4.44Å; L617-L627 HydrophobicContact CD1-CD2 4.46Å; L617-V782 HydrophobicContact CD1-CB 4.5Å; L617-V782 HydrophobicContact CD1-CG1 4.01Å; L617-V782 HydrophobicContact CD1-CG2 4.25Å; L617-Q785 HydrophobicContact CD1-CB 4.36Å; L617-Q785 HydrophobicContact CD2-CB 3.71Å; L617-L786 HydrophobicContact CD2-CB 4.47Å; L617-I789 HydrophobicContact CD2-CD1 3.51Å
618	A	98.1	Very high	97.8	Very high	16 Å²	16	33.8 Å²	33.8	13%	0.132	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-31.6	-177.6	0	0	0	0	0	113.2	A614 L627 L748 L766	A614-A618 WeakPolarHBondContact O-CB 3.4Å; A614-A618 PolarHBondContact O-N 3.22Å; A618-L627 HydrophobicContact CB-CD1 4.48Å; A618-L748 HydrophobicContact CB-CD2 3.75Å; A618-L766 HydrophobicContact CB-CD1 3.52Å; A618-L766 HydrophobicContact CB-CD2 4.07Å; A618-L766 HydrophobicContact CB-CG 4.4Å
619	K	97.6	Very high	97.7	Very high	146 Å²	146	34.8 Å²	34.8	64%	0.635	16%	0.164	S	C	*	.	H	α-helix	trans	-68.6	-40.9	177.7	179.2	-177.1	170.6	-152.5	0	112.5	E615 R616 L617	E615-K619 WeakPolarHBondContact O-CB 2.98Å; E615-K619 PolarHBondContact O-N 2.69Å; E615-K619 VanDerWaalsContact O-N 3.15Å; R616-K619 PolarHBondContact O-N 3.43Å; L617-K619 PolarHBondContact O-N 3.31Å
620	Y	97.2	Very high	97.6	Very high	92 Å²	92	35.6 Å²	35.6	36%	0.361	17%	0.168	S	C	.	.	H	α-helix	trans	-102.7	-20	-172.7	-70.4	-94.6	0	0	0	113.8	R616 L617 P622 I789 E793	R616-Y620 VanDerWaalsContact CD-CE2 3.47Å; R616-Y620 HydrophobicContact CG-CD2 4.46Å; R616-Y620 WeakPolarHBondContact O-CD2 3.34Å; R616-Y620 PolarHBondContact O-N 3.49Å; L617-Y620 PolarHBondContact O-N 3.16Å; Y620-P622 VanDerWaalsContact C-CD 3.44Å; Y620-I789 HydrophobicContact CD1-CG2 4.15Å; Y620-I789 HydrophobicContact CD2-CG2 3.97Å; Y620-I789 HydrophobicContact CE2-CG2 4.44Å; Y620-I789 HydrophobicContact CG-CG1 4.48Å; Y620-I789 HydrophobicContact CG-CG2 3.82Å; Y620-E793 HydrophobicContact CE1-CG 4.43Å; Y620-E793 WeakPolarHBondContact CE1-OE1 3.32Å; Y620-E793 PolarHBondContact OH-OE1 3.45Å
621	L	96.2	Very high	97.3	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.073	18%	0.175	C	C	.	.			trans	-129.5	57.4	-178.6	-57.3	175.9	0	0	0	110.4	L617 D623 S624 A625 Q785 I789	L617-L621 HydrophobicContact CD2-CD1 4.42Å; L617-L621 WeakPolarHBondContact O-CA 3.49Å; L617-L621 WeakPolarHBondContact O-CB 3.41Å; L617-L621 PolarHBondContact O-N 2.88Å; L621-D623 PolarHBondContact O-N 3.21Å; L621-D623 VanDerWaalsContact O-N 3.17Å; L621-S624 PolarHBondContact O-N 2.94Å; L621-A625 HydrophobicContact CB-CB 4.34Å; L621-A625 WeakPolarHBondContact O-CB 3.28Å; L621-A625 PolarHBondContact O-N 2.99Å; L621-Q785 HydrophobicContact CD1-CB 3.82Å; L621-Q785 HydrophobicContact CD1-CG 4.13Å; L621-I789 HydrophobicContact CD1-CD1 3.93Å; L621-I789 HydrophobicContact CD1-CG1 4.11Å; L621-I789 HydrophobicContact CG-CD1 4.07Å; L621-I789 HydrophobicContact CG-CG1 4.13Å
622	P	95.2	Very high	97	Very high	48 Å²	48	36.4 Å²	36.4	31%	0.312	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.5	-176.9	24.5	-34.5	0	0	0	113	V26 Y620 L748 G749	V26-P622 HydrophobicContact CG1-CB 4.31Å; V26-P622 HydrophobicContact CG1-CG 4.33Å; Y620-P622 VanDerWaalsContact C-CD 3.44Å; P622-L748 WeakPolarHBondContact O-CG 3.48Å; P622-G749 PolarHBondContact O-N 2.96Å
623	D	93.9	Very high	96.6	Very high	95 Å²	95	36.4 Å²	36.4	51%	0.508	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.4	-176.9	-56.9	-40.1	0	0	0	113.8	L621 G749 P814	L621-D623 PolarHBondContact O-N 3.21Å; L621-D623 VanDerWaalsContact O-N 3.17Å; D623-G749 VanDerWaalsContact O-CA 3.26Å; D623-G749 WeakPolarHBondContact O-CA 3.35Å; D623-G749 PolarHBondContact O-N 3.03Å; D623-P814 WeakPolarHBondContact O-CG 3.49Å
624	S	95.6	Very high	95.8	Very high	16 Å²	16	38.6 Å²	38.6	11%	0.112	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	0.3	-169.5	61.8	0	0	0	0	114.9	L621 F626 Q785 L817	L621-S624 PolarHBondContact O-N 2.94Å; S624-F626 PolarHBondContact O-N 2.91Å; S624-Q785 PolarHBondContact O-NE2 3.44Å; S624-L817 VanDerWaalsContact O-CD1 3.24Å; S624-L817 WeakPolarHBondContact O-CD1 3.28Å
625	A	98	Very high	95.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.			trans	-56.7	123.5	179.7	0	0	0	0	0	111.7	L617 L621 L627 L748	L617-A625 HydrophobicContact CB-CB 3.85Å; L621-A625 HydrophobicContact CB-CB 4.34Å; L621-A625 WeakPolarHBondContact O-CB 3.28Å; L621-A625 PolarHBondContact O-N 2.99Å; A625-L627 HydrophobicContact CB-CD1 4.31Å; A625-L627 HydrophobicContact CB-CD2 4.31Å; A625-L627 HydrophobicContact CB-CG 4.05Å; A625-L627 PolarHBondContact O-N 2.82Å; A625-L748 HydrophobicContact CB-CB 3.97Å; A625-L748 HydrophobicContact CB-CD2 4.14Å; A625-L748 PolarHBondContact O-N 3.45Å
626	F	98.5	Very high	94.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.5	177.1	-164.1	-85.2	0	0	0	109.4	S624 Y745 T768 A778 I781 V782 Q785 L817 A821	S624-F626 PolarHBondContact O-N 2.91Å; F626-Y745 AromaticContact CE1-CD1 3.77Å; F626-Y745 HydrophobicContact CE1-CD1 3.77Å; F626-Y745 AromaticContact CE1-CG 3.95Å; F626-Y745 HydrophobicContact CE1-CG 3.95Å; F626-Y745 HydrophobicContact CZ-CG 4.28Å; F626-T768 PolarHBondContact O-OG1 3.44Å; F626-A778 HydrophobicContact CE1-CB 3.76Å; F626-A778 HydrophobicContact CZ-CB 4.5Å; F626-I781 HydrophobicContact CB-CG2 3.99Å; F626-I781 HydrophobicContact CD2-CD1 4.33Å; F626-I781 HydrophobicContact CD2-CG2 4.11Å; F626-I781 HydrophobicContact CE2-CD1 3.96Å; F626-I781 HydrophobicContact CG-CG2 3.97Å; F626-I781 HydrophobicContact CZ-CD1 4.05Å; F626-V782 HydrophobicContact CB-CG2 4.4Å; F626-V782 HydrophobicContact CD1-CG2 4.2Å; F626-Q785 VanDerWaalsContact CB-OE1 3.32Å; F626-L817 HydrophobicContact CD2-CB 4.38Å; F626-L817 HydrophobicContact CD2-CD2 4.08Å; F626-L817 WeakPolarHBondContact CE2-O 3.47Å; F626-A821 HydrophobicContact CE2-CB 3.68Å; F626-A821 HydrophobicContact CZ-CB 3.85Å
627	L	98.7	Very high	94	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	173.4	-169.8	-61.9	-175.2	0	0	0	111.4	A614 L617 A618 A625 Y745 F746 L748 L766	A614-L627 HydrophobicContact CB-CD2 3.87Å; L617-L627 HydrophobicContact CB-CD2 4.44Å; L617-L627 HydrophobicContact CD1-CD2 4.46Å; A618-L627 HydrophobicContact CB-CD1 4.48Å; A625-L627 HydrophobicContact CB-CD1 4.31Å; A625-L627 HydrophobicContact CB-CD2 4.31Å; A625-L627 HydrophobicContact CB-CG 4.05Å; A625-L627 PolarHBondContact O-N 2.82Å; L627-Y745 CarbonylContact O-C 3.2Å; L627-Y745 VanDerWaalsContact O-CA 3.27Å; L627-Y745 WeakPolarHBondContact O-CA 3.37Å; L627-F746 HydrophobicContact CB-CD1 4.27Å; L627-F746 HydrophobicContact CB-CE1 3.59Å; L627-F746 HydrophobicContact CB-CZ 3.75Å; L627-F746 HydrophobicContact CD1-CZ 4.28Å; L627-F746 PolarHBondContact N-O 3.01Å; L627-F746 WeakPolarHBondContact O-CD1 3.47Å; L627-F746 PolarHBondContact O-N 2.78Å; L627-L748 HydrophobicContact CD1-CB 4.17Å; L627-L748 HydrophobicContact CD1-CD1 4.22Å; L627-L748 HydrophobicContact CD1-CD2 4.08Å; L627-L748 HydrophobicContact CD1-CG 4.39Å; L627-L766 HydrophobicContact CD1-CD2 3.85Å
628	R	98.4	Very high	93.7	Very high	43 Å²	43	48.7 Å²	48.7	16%	0.162	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.3	176.4	-167.8	179.7	-172.2	-136.2	-4.7	110.6	A743 V744 Y745 Y767 H769	R628-A743 PolarHBondContact NH2-O 3.38Å; R628-V744 CarbonylContact C-O 3.59Å; R628-V744 WeakPolarHBondContact CA-O 3.36Å; R628-V744 WeakPolarHBondContact CG-O 3.34Å; R628-Y745 HydrophobicContact CB-CD1 3.96Å; R628-Y745 HydrophobicContact CB-CE1 4.24Å; R628-Y745 HydrophobicContact CG-CD1 4.03Å; R628-Y745 HydrophobicContact CG-CE1 4.18Å; R628-Y767 HydrophobicContact CB-CD1 4.24Å; R628-Y767 PolarHBondContact N-O 3.03Å; R628-Y767 VanDerWaalsContact O-O 3.1Å; R628-H769 VanDerWaalsContact CD-CE1 3.43Å; R628-H769 WeakPolarHBondContact CD-CE1 3.49Å; R628-H769 WeakPolarHBondContact CD-NE2 3.42Å; R628-H769 VanDerWaalsContact CZ-CE1 3.41Å; R628-H769 PolarHBondContact NH1-CE1 2.96Å; R628-H769 PolarHBondContact NH1-NE2 3.35Å
629	R	97.1	Very high	93.3	Very high	28 Å²	28	50.6 Å²	50.6	11%	0.106	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	157.8	179	64.4	-177.6	-68	-140.3	0.1	111.7	A743 V744 F746 S756 P757	R629-A743 CarbonylContact O-C 3.55Å; R629-A743 WeakPolarHBondContact O-CA 3.45Å; R629-A743 WeakPolarHBondContact O-CB 3.46Å; R629-V744 HydrophobicContact CG-CG2 3.91Å; R629-V744 PolarHBondContact N-O 3.14Å; R629-V744 PolarHBondContact O-N 2.86Å; R629-F746 HydrophobicContact CB-CD1 4.06Å; R629-F746 HydrophobicContact CB-CE1 3.57Å; R629-F746 HydrophobicContact CB-CZ 4.29Å; R629-F746 HydrophobicContact CG-CD1 3.65Å; R629-F746 HydrophobicContact CG-CE1 3.68Å; R629-F746 HydrophobicContact CG-CG 4.44Å; R629-F746 HydrophobicContact CG-CZ 4.47Å; R629-S756 PolarHBondContact NE-O 3.31Å; R629-S756 PolarHBondContact NH2-O 3.34Å; R629-P757 WeakPolarHBondContact CB-O 3.49Å
630	H	96.4	Very high	92.9	Very high	17 Å²	17	48.3 Å²	48.3	8%	0.079	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-124.2	97.6	169.8	178.1	-115.2	0	0	0	107.1	N741 A743 A758 H759 Y760 A761	H630-N741 PolarHBondContact CD2-O 2.98Å; H630-N741 PolarHBondContact NE2-O 2.82Å; H630-A743 HydrophobicContact CB-CB 3.95Å; H630-A758 PolarHBondContact N-O 3.36Å; H630-H759 HydrophobicContact CB-CB 4.41Å; H630-H759 WeakPolarHBondContact CB-CE1 3.43Å; H630-H759 VanDerWaalsContact CB-ND1 3.33Å; H630-H759 WeakPolarHBondContact CB-ND1 3.44Å; H630-H759 AromaticContact CG-CE1 3.81Å; H630-Y760 AromaticContact CE1-CD1 4Å; H630-Y760 AromaticContact ND1-CD1 3.95Å; H630-Y760 WeakPolarHBondContact O-CB 3.35Å; H630-Y760 PolarHBondContact O-N 3.44Å; H630-A761 PolarHBondContact ND1-N 3.14Å
631	P	92.6	Very high	92.6	Very high	25 Å²	25	45 Å²	45	16%	0.162	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-59.2	151.9	-178.5	-23.2	33.9	0	0	0	112	N741	P631-N741 HydrophobicContact CB-CB 4.29Å
632	S	91.7	Very high	92.5	Very high	77 Å²	77	45.5 Å²	45.5	54%	0.538	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-58.4	144.2	174.4	-58.6	0	0	0	0	111.3	N741	S632-N741 PolarHBondContact O-ND2 2.98Å
633	P	91.2	Very high	92.2	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.071	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-63.4	165.4	177.2	26	-36.3	0	0	0	113.2	V635 L638 T739 M740 Y760	P633-V635 PolarHBondContact O-N 2.9Å; P633-L638 HydrophobicContact CB-CD1 3.81Å; P633-L638 HydrophobicContact CB-CG 4.06Å; P633-L638 HydrophobicContact CG-CD1 3.29Å; P633-L638 HydrophobicContact CG-CG 4.07Å; P633-T739 WeakPolarHBondContact CB-O 3.48Å; P633-M740 HydrophobicContact CB-CE 4.42Å; P633-M740 HydrophobicContact CB-SD 3.89Å; P633-M740 HydrophobicContact CG-CE 4.22Å; P633-M740 HydrophobicContact CG-SD 3.88Å; P633-Y760 VanDerWaalsContact CD-CE1 3.48Å; P633-Y760 HydrophobicContact CG-CE1 3.96Å
634	S	82.3	Confident	92	Very high	45 Å²	45	41 Å²	41	32%	0.315	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-67.7	116.6	172.5	175.5	0	0	0	0	110.7	K636 Q637 L638	S634-K636 PolarHBondContact O-N 2.93Å; S634-Q637 PolarHBondContact O-N 3.32Å; S634-Q637 VanDerWaalsContact O-N 3.17Å; S634-L638 PolarHBondContact O-N 3.27Å
635	V	86.6	Confident	91.8	Very high	109 Å²	109	40.3 Å²	40.3	66%	0.661	22%	0.221	S	C	*	.	H	α-helix	trans	-56.5	-36.7	177.7	179.6	0	0	0	0	111.3	P633 T639	P633-V635 PolarHBondContact O-N 2.9Å; V635-T639 WeakPolarHBondContact O-CB 3.44Å; V635-T639 PolarHBondContact O-N 3.08Å; V635-T639 PolarHBondContact O-OG1 3.41Å
636	K	82.5	Confident	91.4	Very high	142 Å²	142	44.5 Å²	44.5	62%	0.617	24%	0.243	S	C	*	.	H	α-helix	trans	-61.7	-53.7	177	179.3	-178	172.6	-174.8	0	111.1	S634 L638 T639 E640	S634-K636 PolarHBondContact O-N 2.93Å; K636-L638 VanDerWaalsContact C-N 3.34Å; K636-L638 PolarHBondContact O-N 2.82Å; K636-T639 PolarHBondContact O-N 2.88Å; K636-E640 WeakPolarHBondContact CE-OE1 3.35Å; K636-E640 WeakPolarHBondContact CG-OE1 3.46Å; K636-E640 WeakPolarHBondContact O-CG 3.42Å; K636-E640 PolarHBondContact O-N 3.19Å
637	Q	88.3	Confident	90.8	Very high	91 Å²	91	46.8 Å²	46.8	43%	0.425	26%	0.257	S	S	.	.	H	α-helix	trans	-63.2	-41.1	-179.2	-68	177.5	-30.7	0	0	111.6	S634 T639 E640 V641 T739	S634-Q637 PolarHBondContact O-N 3.32Å; S634-Q637 VanDerWaalsContact O-N 3.17Å; Q637-T639 VanDerWaalsContact C-N 3.34Å; Q637-T639 PolarHBondContact O-N 2.94Å; Q637-E640 PolarHBondContact O-N 3.46Å; Q637-V641 WeakPolarHBondContact O-CG2 3.46Å; Q637-V641 PolarHBondContact O-N 2.89Å; Q637-T739 HydrophobicContact CB-CG2 4.02Å
638	L	91.2	Very high	90.1	Very high	6 Å²	6	48 Å²	48	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-41.8	174.5	-85	178.6	0	0	0	112.6	P633 S634 K636 V641 S642 I654 I660 L736 T739 M740	P633-L638 HydrophobicContact CB-CD1 3.81Å; P633-L638 HydrophobicContact CB-CG 4.06Å; P633-L638 HydrophobicContact CG-CD1 3.29Å; P633-L638 HydrophobicContact CG-CG 4.07Å; S634-L638 PolarHBondContact O-N 3.27Å; K636-L638 VanDerWaalsContact C-N 3.34Å; K636-L638 PolarHBondContact O-N 2.82Å; L638-V641 PolarHBondContact O-N 2.93Å; L638-S642 WeakPolarHBondContact O-CB 3.33Å; L638-S642 PolarHBondContact O-N 3Å; L638-I654 HydrophobicContact CB-CB 4.47Å; L638-I654 HydrophobicContact CB-CD1 4.04Å; L638-I654 HydrophobicContact CB-CG2 4.44Å; L638-I654 HydrophobicContact CD1-CB 4.45Å; L638-I654 HydrophobicContact CD2-CG2 4.26Å; L638-I660 HydrophobicContact CD2-CD1 4.25Å; L638-L736 HydrophobicContact CD2-CD2 4.26Å; L638-T739 HydrophobicContact CD2-CG2 4.37Å; L638-T739 WeakPolarHBondContact CD2-OG1 3.4Å; L638-M740 HydrophobicContact CD2-CE 4.16Å
639	T	91.1	Very high	89.6	Confident	57 Å²	57	48.5 Å²	48.5	35%	0.35	29%	0.286	S	S	.	.	H	α-helix	trans	-66.4	-39.7	179.4	-57.9	0	0	0	0	111.5	V635 K636 Q637 S643	V635-T639 WeakPolarHBondContact O-CB 3.44Å; V635-T639 PolarHBondContact O-N 3.08Å; V635-T639 PolarHBondContact O-OG1 3.41Å; K636-T639 PolarHBondContact O-N 2.88Å; Q637-T639 VanDerWaalsContact C-N 3.34Å; Q637-T639 PolarHBondContact O-N 2.94Å; T639-S643 WeakPolarHBondContact O-CB 3.46Å; T639-S643 PolarHBondContact O-N 2.87Å; T639-S643 PolarHBondContact O-OG 3.24Å
640	E	87.9	Confident	89.2	Confident	98 Å²	98	47.5 Å²	47.5	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-47.1	175.9	-72.1	168.7	-173.8	0	0	111.4	K636 Q637 S643 S644	K636-E640 WeakPolarHBondContact CE-OE1 3.35Å; K636-E640 WeakPolarHBondContact CG-OE1 3.46Å; K636-E640 WeakPolarHBondContact O-CG 3.42Å; K636-E640 PolarHBondContact O-N 3.19Å; Q637-E640 PolarHBondContact O-N 3.46Å; E640-S643 PolarHBondContact O-N 3.32Å; E640-S644 PolarHBondContact O-N 3.07Å; E640-S644 VanDerWaalsContact O-N 3.09Å; E640-S644 PolarHBondContact O-OG 2.82Å
641	V	91.2	Very high	89	Confident	23 Å²	23	50.8 Å²	50.8	14%	0.139	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-46.9	175.8	169.4	0	0	0	0	111.2	Q637 L638 S643 S644 L645 L735 L736 T739	Q637-V641 WeakPolarHBondContact O-CG2 3.46Å; Q637-V641 PolarHBondContact O-N 2.89Å; L638-V641 PolarHBondContact O-N 2.93Å; V641-S643 VanDerWaalsContact C-N 3.28Å; V641-S643 PolarHBondContact O-N 2.87Å; V641-S644 PolarHBondContact O-N 3.38Å; V641-S644 VanDerWaalsContact O-N 3.15Å; V641-L645 HydrophobicContact CG1-CD1 3.72Å; V641-L645 HydrophobicContact CG1-CG 4.14Å; V641-L645 WeakPolarHBondContact O-CB 3.27Å; V641-L645 VanDerWaalsContact O-CG 3.27Å; V641-L645 WeakPolarHBondContact O-CG 3.44Å; V641-L645 PolarHBondContact O-N 2.93Å; V641-L735 HydrophobicContact CG1-CB 3.9Å; V641-L736 HydrophobicContact CG1-CD2 4.07Å; V641-T739 HydrophobicContact CB-CG2 4.17Å; V641-T739 HydrophobicContact CG2-CG2 3.59Å
642	S	93.5	Very high	89	Confident	24 Å²	24	49.7 Å²	49.7	17%	0.168	29%	0.294	C	S	.	.	H	α-helix	trans	-58	-39.5	177.4	178.4	0	0	0	0	112.2	L638 L645 N646 I652	L638-S642 WeakPolarHBondContact O-CB 3.33Å; L638-S642 PolarHBondContact O-N 3Å; S642-L645 PolarHBondContact O-N 3.21Å; S642-N646 WeakPolarHBondContact O-CB 3.33Å; S642-N646 PolarHBondContact O-N 3.23Å; S642-I652 PolarHBondContact OG-O 2.88Å
643	S	90.4	Very high	89.2	Confident	14 Å²	14	49 Å²	49	10%	0.098	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-45.2	175.7	-58.3	0	0	0	0	111.9	T639 E640 V641 L645 N646 V647	T639-S643 WeakPolarHBondContact O-CB 3.46Å; T639-S643 PolarHBondContact O-N 2.87Å; T639-S643 PolarHBondContact O-OG 3.24Å; E640-S643 PolarHBondContact O-N 3.32Å; V641-S643 VanDerWaalsContact C-N 3.28Å; V641-S643 PolarHBondContact O-N 2.87Å; S643-L645 VanDerWaalsContact C-N 3.35Å; S643-L645 PolarHBondContact O-N 2.89Å; S643-N646 PolarHBondContact O-N 3.4Å; S643-V647 WeakPolarHBondContact O-CG2 3.29Å; S643-V647 PolarHBondContact O-N 3.26Å; S643-V647 VanDerWaalsContact O-N 3.15Å
644	S	88.1	Confident	89.4	Confident	35 Å²	35	50.2 Å²	50.2	25%	0.245	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-40.4	176.3	-61.6	0	0	0	0	112.3	E640 V641 V647 A648	E640-S644 PolarHBondContact O-N 3.07Å; E640-S644 VanDerWaalsContact O-N 3.09Å; E640-S644 PolarHBondContact O-OG 2.82Å; V641-S644 PolarHBondContact O-N 3.38Å; V641-S644 VanDerWaalsContact O-N 3.15Å; S644-V647 PolarHBondContact O-N 3.02Å; S644-A648 PolarHBondContact O-N 2.99Å
645	L	91.8	Very high	89.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-43	175.1	-69.8	172.2	0	0	0	111.7	V641 S642 S643 V647 A648 G649 I650 I652 T732 L735 L736 F955	V641-L645 HydrophobicContact CG1-CD1 3.72Å; V641-L645 HydrophobicContact CG1-CG 4.14Å; V641-L645 WeakPolarHBondContact O-CB 3.27Å; V641-L645 VanDerWaalsContact O-CG 3.27Å; V641-L645 WeakPolarHBondContact O-CG 3.44Å; V641-L645 PolarHBondContact O-N 2.93Å; S642-L645 PolarHBondContact O-N 3.21Å; S643-L645 VanDerWaalsContact C-N 3.35Å; S643-L645 PolarHBondContact O-N 2.89Å; L645-V647 VanDerWaalsContact C-N 3.33Å; L645-V647 PolarHBondContact O-N 2.95Å; L645-A648 CarbonylContact O-C 3.58Å; L645-A648 WeakPolarHBondContact O-CA 3.32Å; L645-A648 WeakPolarHBondContact O-CB 3.42Å; L645-A648 PolarHBondContact O-N 3.19Å; L645-G649 PolarHBondContact O-N 2.99Å; L645-I650 CarbonylContact C-O 3.56Å; L645-I650 HydrophobicContact CB-CB 4.23Å; L645-I650 WeakPolarHBondContact CB-O 3.46Å; L645-I650 HydrophobicContact CD2-CB 4.46Å; L645-I650 HydrophobicContact CD2-CG2 4.45Å; L645-I650 PolarHBondContact O-N 2.93Å; L645-I650 VanDerWaalsContact O-O 3.14Å; L645-I652 HydrophobicContact CD1-CB 4.28Å; L645-I652 HydrophobicContact CD1-CG1 3.67Å; L645-T732 HydrophobicContact CD1-CG2 4.02Å; L645-T732 HydrophobicContact CD2-CG2 3.83Å; L645-L735 HydrophobicContact CD2-CD1 4.43Å; L645-L736 HydrophobicContact CD1-CD2 4.28Å; L645-L736 HydrophobicContact CD1-CG 4.39Å; L645-F955 HydrophobicContact CD2-CE1 4.28Å; L645-F955 HydrophobicContact CD2-CE2 4.11Å; L645-F955 HydrophobicContact CD2-CZ 3.42Å; L645-F955 VanDerWaalsContact CD2-CZ 3.42Å
646	N	91.1	Very high	90.4	Very high	89 Å²	89	51.6 Å²	51.6	48%	0.476	29%	0.293	S	S	.	.	H	α-helix	trans	-64.8	-36.3	-179.6	-169.8	53.8	0	0	0	112.3	S642 S643 A648 G649 I650 N651	S642-N646 WeakPolarHBondContact O-CB 3.33Å; S642-N646 PolarHBondContact O-N 3.23Å; S643-N646 PolarHBondContact O-N 3.4Å; N646-A648 VanDerWaalsContact C-N 3.27Å; N646-A648 PolarHBondContact O-N 3.42Å; N646-G649 PolarHBondContact O-N 3.08Å; N646-I650 WeakPolarHBondContact CA-O 3.46Å; N646-I650 PolarHBondContact N-O 3Å; N646-N651 PolarHBondContact OD1-ND2 3.38Å
647	V	85.9	Confident	91	Very high	47 Å²	47	45 Å²	45	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-34.8	172.6	172.3	0	0	0	0	111.6	S643 S644 L645 G649 V902	S643-V647 WeakPolarHBondContact O-CG2 3.29Å; S643-V647 PolarHBondContact O-N 3.26Å; S643-V647 VanDerWaalsContact O-N 3.15Å; S644-V647 PolarHBondContact O-N 3.02Å; L645-V647 VanDerWaalsContact C-N 3.33Å; L645-V647 PolarHBondContact O-N 2.95Å; V647-G649 PolarHBondContact O-N 3.39Å; V647-V902 HydrophobicContact CG2-CB 4.27Å; V647-V902 HydrophobicContact CG2-CG1 4.09Å; V647-V902 WeakPolarHBondContact CG2-O 3.49Å
648	A	83.7	Confident	91.4	Very high	26 Å²	26	41 Å²	41	22%	0.215	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.6	172.6	0	0	0	0	0	113.4	S644 L645 N646 R728 F955	S644-A648 PolarHBondContact O-N 2.99Å; L645-A648 CarbonylContact O-C 3.58Å; L645-A648 WeakPolarHBondContact O-CA 3.32Å; L645-A648 WeakPolarHBondContact O-CB 3.42Å; L645-A648 PolarHBondContact O-N 3.19Å; N646-A648 VanDerWaalsContact C-N 3.27Å; N646-A648 PolarHBondContact O-N 3.42Å; A648-R728 PolarHBondContact O-NH2 3.21Å; A648-F955 HydrophobicContact CB-CD2 3.26Å; A648-F955 HydrophobicContact CB-CE2 3.47Å; A648-F955 VanDerWaalsContact CB-CE2 3.47Å; A648-F955 HydrophobicContact CB-CG 4.2Å
649	G	86.5	Confident	91.6	Very high	55 Å²	55	41.8 Å²	41.8	57%	0.567	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	11.6	-178.1	0	0	0	0	0	114.8	L645 N646 V647	L645-G649 PolarHBondContact O-N 2.99Å; N646-G649 PolarHBondContact O-N 3.08Å; V647-G649 PolarHBondContact O-N 3.39Å
650	I	88.9	Confident	91.9	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.036	24%	0.237	C	C	.	.			trans	-105.2	109.9	179.2	-57.4	-179.7	0	0	0	109	L645 N646 I652 E667 R728 T732 F955	L645-I650 CarbonylContact C-O 3.56Å; L645-I650 HydrophobicContact CB-CB 4.23Å; L645-I650 WeakPolarHBondContact CB-O 3.46Å; L645-I650 HydrophobicContact CD2-CB 4.46Å; L645-I650 HydrophobicContact CD2-CG2 4.45Å; L645-I650 PolarHBondContact O-N 2.93Å; L645-I650 VanDerWaalsContact O-O 3.14Å; N646-I650 WeakPolarHBondContact CA-O 3.46Å; N646-I650 PolarHBondContact N-O 3Å; I650-I652 HydrophobicContact CG2-CD1 3.85Å; I650-I652 HydrophobicContact CG2-CG1 4.02Å; I650-I652 PolarHBondContact O-N 2.92Å; I650-E667 HydrophobicContact CG2-CG 4.07Å; I650-R728 HydrophobicContact CD1-CB 4.35Å; I650-T732 VanDerWaalsContact CD1-OG1 3.27Å; I650-T732 WeakPolarHBondContact CD1-OG1 3.47Å; I650-T732 HydrophobicContact CG2-CG2 4.29Å; I650-F955 HydrophobicContact CD1-CE1 4.13Å; I650-F955 HydrophobicContact CD1-CZ 4.4Å
651	N	91.9	Very high	92.3	Very high	85 Å²	85	34.4 Å²	34.4	46%	0.455	22%	0.216	S	C	.	.			trans	-97.1	99.2	-175.7	-162.1	-72.9	0	0	0	111.9	N646 R666	N646-N651 PolarHBondContact OD1-ND2 3.38Å; N651-R666 PolarHBondContact O-NH2 2.8Å
652	I	94.2	Very high	92.4	Very high	3 Å²	3	37 Å²	37	2%	0.015	23%	0.229	C	C	.	.			trans	-99.5	118.4	177.9	-56.1	-54.7	0	0	0	111	S642 L645 I650 I654 I660 I664 E667 T732 L736	S642-I652 PolarHBondContact OG-O 2.88Å; L645-I652 HydrophobicContact CD1-CB 4.28Å; L645-I652 HydrophobicContact CD1-CG1 3.67Å; I650-I652 HydrophobicContact CG2-CD1 3.85Å; I650-I652 HydrophobicContact CG2-CG1 4.02Å; I650-I652 PolarHBondContact O-N 2.92Å; I652-I654 HydrophobicContact CG2-CG2 4.17Å; I652-I654 PolarHBondContact O-N 2.76Å; I652-I660 HydrophobicContact CG2-CB 4.49Å; I652-I660 HydrophobicContact CG2-CG1 4.28Å; I652-I660 HydrophobicContact CG2-CG2 4.21Å; I652-I664 HydrophobicContact CD1-CG1 4.35Å; I652-E667 HydrophobicContact CD1-CG 4.43Å; I652-T732 HydrophobicContact CD1-CG2 4.38Å; I652-T732 HydrophobicContact CG1-CG2 4.36Å; I652-L736 HydrophobicContact CG2-CD1 4.4Å; I652-L736 HydrophobicContact CG2-CD2 4.36Å
653	N	95.1	Very high	92.5	Very high	62 Å²	62	36 Å²	36	33%	0.332	22%	0.222	S	C	.	.			trans	-75.4	118.8	167.3	-176.6	-9.7	0	0	0	109.9	D655 S659 I660 S663	N653-D655 PolarHBondContact ND2-OD2 2.85Å; N653-D655 VanDerWaalsContact OD1-CB 3.26Å; N653-D655 WeakPolarHBondContact OD1-CB 3.41Å; N653-D655 PolarHBondContact OD1-N 3.36Å; N653-D655 PolarHBondContact OD1-OD2 2.89Å; N653-S659 CarbonylContact O-C 3.54Å; N653-S659 WeakPolarHBondContact O-CB 3.4Å; N653-I660 WeakPolarHBondContact O-CA 3.49Å; N653-I660 WeakPolarHBondContact O-CG1 3.46Å; N653-I660 PolarHBondContact O-N 3.1Å; N653-I660 VanDerWaalsContact O-N 3.13Å; N653-S663 PolarHBondContact N-OG 3.2Å
654	I	94.8	Very high	92.6	Very high	36 Å²	36	35.5 Å²	35.5	19%	0.185	22%	0.218	C	C	.	.			trans	-99.7	8.5	-176.8	60.5	169.4	0	0	0	114.3	L638 I652 S656	L638-I654 HydrophobicContact CB-CB 4.47Å; L638-I654 HydrophobicContact CB-CD1 4.04Å; L638-I654 HydrophobicContact CB-CG2 4.44Å; L638-I654 HydrophobicContact CD1-CB 4.45Å; L638-I654 HydrophobicContact CD2-CG2 4.26Å; I652-I654 HydrophobicContact CG2-CG2 4.17Å; I652-I654 PolarHBondContact O-N 2.76Å; I654-S656 VanDerWaalsContact C-N 3.25Å; I654-S656 PolarHBondContact O-N 3.41Å
655	D	94.4	Very high	92.7	Very high	138 Å²	138	33.9 Å²	33.9	74%	0.738	21%	0.207	S	C	*	.	S	Bend	trans	-60.7	-32.2	-175.4	-73.1	-23	0	0	0	113.3	N653	N653-D655 PolarHBondContact ND2-OD2 2.85Å; N653-D655 VanDerWaalsContact OD1-CB 3.26Å; N653-D655 WeakPolarHBondContact OD1-CB 3.41Å; N653-D655 PolarHBondContact OD1-N 3.36Å; N653-D655 PolarHBondContact OD1-OD2 2.89Å
656	S	95.3	Very high	92.7	Very high	46 Å²	46	40.8 Å²	40.8	32%	0.322	23%	0.233	S	C	.	.	S	Bend	trans	-157.4	166	179.8	69.2	0	0	0	0	111.5	I654 G658 S659 I660	I654-S656 VanDerWaalsContact C-N 3.25Å; I654-S656 PolarHBondContact O-N 3.41Å; S656-G658 VanDerWaalsContact C-N 3.31Å; S656-G658 PolarHBondContact O-N 3.24Å; S656-S659 WeakPolarHBondContact O-CB 3.26Å; S656-S659 PolarHBondContact O-N 2.91Å; S656-S659 PolarHBondContact OG-N 3.09Å; S656-S659 VanDerWaalsContact OG-N 3.16Å; S656-S659 PolarHBondContact OG-OG 3.42Å; S656-I660 WeakPolarHBondContact O-CG1 3.43Å; S656-I660 PolarHBondContact O-N 3.17Å
657	A	96	Very high	92.5	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-50.3	-51.3	173	0	0	0	0	0	111.6	L569 S659 I660 Q661 Y760	L569-A657 HydrophobicContact CB-CB 3.73Å; L569-A657 HydrophobicContact CD2-CB 4.36Å; A657-S659 VanDerWaalsContact C-N 3.32Å; A657-S659 PolarHBondContact O-N 2.9Å; A657-I660 WeakPolarHBondContact O-CB 3.31Å; A657-I660 PolarHBondContact O-N 2.74Å; A657-Q661 PolarHBondContact O-N 2.77Å; A657-Y760 HydrophobicContact CB-CD1 4.08Å; A657-Y760 HydrophobicContact CB-CD2 4.48Å; A657-Y760 HydrophobicContact CB-CE1 3.72Å; A657-Y760 HydrophobicContact CB-CE2 4.15Å; A657-Y760 HydrophobicContact CB-CG 4.45Å; A657-Y760 VanDerWaalsContact CB-O 3.31Å; A657-Y760 WeakPolarHBondContact CB-O 3.38Å; A657-Y760 PolarHBondContact N-OH 3.43Å; A657-Y760 VanDerWaalsContact N-OH 3.09Å
658	G	96.3	Very high	92.5	Very high	5 Å²	5	36.9 Å²	36.9	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-32.3	176.7	0	0	0	0	0	114.5	G567 S656 I660 Q661 N662	G567-G658 WeakPolarHBondContact O-CA 3.34Å; G567-G658 PolarHBondContact O-N 2.88Å; S656-G658 VanDerWaalsContact C-N 3.31Å; S656-G658 PolarHBondContact O-N 3.24Å; G658-I660 VanDerWaalsContact C-N 3.35Å; G658-Q661 PolarHBondContact O-N 2.89Å; G658-N662 WeakPolarHBondContact O-CB 3.49Å; G658-N662 PolarHBondContact O-N 2.87Å; G658-N662 PolarHBondContact O-ND2 3.42Å
659	S	96.7	Very high	92.5	Very high	24 Å²	24	38 Å²	38	17%	0.168	22%	0.222	C	C	.	.	H	α-helix	trans	-68.5	-37.4	176	-56.8	0	0	0	0	111.7	N653 S656 A657 S663	N653-S659 CarbonylContact O-C 3.54Å; N653-S659 WeakPolarHBondContact O-CB 3.4Å; S656-S659 WeakPolarHBondContact O-CB 3.26Å; S656-S659 PolarHBondContact O-N 2.91Å; S656-S659 PolarHBondContact OG-N 3.09Å; S656-S659 VanDerWaalsContact OG-N 3.16Å; S656-S659 PolarHBondContact OG-OG 3.42Å; A657-S659 VanDerWaalsContact C-N 3.32Å; A657-S659 PolarHBondContact O-N 2.9Å; S659-S663 WeakPolarHBondContact O-CB 3.47Å; S659-S663 PolarHBondContact O-N 3.11Å; S659-S663 PolarHBondContact O-OG 2.81Å
660	I	96.3	Very high	92.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-48.6	173.5	-63.8	170.2	0	0	0	109.4	L569 L638 I652 N653 S656 A657 G658 N662 S663 I664 L736 M740	L569-I660 HydrophobicContact CD1-CB 4.05Å; L569-I660 HydrophobicContact CD1-CG2 3.72Å; L569-I660 HydrophobicContact CD2-CB 4.42Å; L569-I660 HydrophobicContact CD2-CD1 4.46Å; L569-I660 HydrophobicContact CD2-CG2 4.31Å; L638-I660 HydrophobicContact CD2-CD1 4.25Å; I652-I660 HydrophobicContact CG2-CB 4.49Å; I652-I660 HydrophobicContact CG2-CG1 4.28Å; I652-I660 HydrophobicContact CG2-CG2 4.21Å; N653-I660 WeakPolarHBondContact O-CA 3.49Å; N653-I660 WeakPolarHBondContact O-CG1 3.46Å; N653-I660 PolarHBondContact O-N 3.1Å; N653-I660 VanDerWaalsContact O-N 3.13Å; S656-I660 WeakPolarHBondContact O-CG1 3.43Å; S656-I660 PolarHBondContact O-N 3.17Å; A657-I660 WeakPolarHBondContact O-CB 3.31Å; A657-I660 PolarHBondContact O-N 2.74Å; G658-I660 VanDerWaalsContact C-N 3.35Å; I660-N662 PolarHBondContact O-N 2.91Å; I660-S663 WeakPolarHBondContact O-CB 3.46Å; I660-S663 PolarHBondContact O-N 2.93Å; I660-S663 VanDerWaalsContact O-N 3.15Å; I660-I664 HydrophobicContact CG2-CD1 3.8Å; I660-I664 HydrophobicContact CG2-CG1 4.38Å; I660-I664 WeakPolarHBondContact O-CG1 3.45Å; I660-I664 PolarHBondContact O-N 3.36Å; I660-L736 HydrophobicContact CG2-CD1 3.93Å; I660-M740 HydrophobicContact CD1-CE 4.01Å
661	Q	95.2	Very high	92	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-54.4	-52.4	176.7	-179.4	71.5	13.1	0	0	111.6	F564 A568 L569 R570 A657 G658 S663 I664 C665 V672 G675	F564-Q661 HydrophobicContact CD1-CG 3.93Å; F564-Q661 HydrophobicContact CE1-CG 4.38Å; A568-Q661 WeakPolarHBondContact O-CB 3.49Å; A568-Q661 WeakPolarHBondContact O-CG 3.41Å; L569-Q661 HydrophobicContact CD1-CB 4.05Å; R570-Q661 PolarHBondContact O-OE1 2.81Å; A657-Q661 PolarHBondContact O-N 2.77Å; G658-Q661 PolarHBondContact O-N 2.89Å; Q661-S663 PolarHBondContact O-N 2.78Å; Q661-I664 PolarHBondContact O-N 2.94Å; Q661-C665 WeakPolarHBondContact O-CB 3.43Å; Q661-C665 PolarHBondContact O-N 2.79Å; Q661-C665 PolarHBondContact O-SG 2.85Å; Q661-V672 HydrophobicContact CG-CG1 4.19Å; Q661-G675 VanDerWaalsContact NE2-CA 3.35Å
662	N	94.8	Very high	91.5	Very high	77 Å²	77	38 Å²	38	41%	0.412	21%	0.212	S	C	.	.	H	α-helix	trans	-58.5	-39	179.3	-71.2	-18.9	0	0	0	112.1	G658 I660 R666 V672	G658-N662 WeakPolarHBondContact O-CB 3.49Å; G658-N662 PolarHBondContact O-N 2.87Å; G658-N662 PolarHBondContact O-ND2 3.42Å; I660-N662 PolarHBondContact O-N 2.91Å; N662-R666 VanDerWaalsContact O-CB 3.26Å; N662-R666 WeakPolarHBondContact O-CB 3.49Å; N662-R666 PolarHBondContact O-N 2.88Å; N662-V672 WeakPolarHBondContact OD1-CG1 3.38Å; N662-V672 WeakPolarHBondContact OD1-CG2 3.38Å
663	S	95.1	Very high	90.5	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-66.4	-50	177.4	-54.6	0	0	0	0	110.6	N653 S659 I660 Q661 C665 R666 E667	N653-S663 PolarHBondContact N-OG 3.2Å; S659-S663 WeakPolarHBondContact O-CB 3.47Å; S659-S663 PolarHBondContact O-N 3.11Å; S659-S663 PolarHBondContact O-OG 2.81Å; I660-S663 WeakPolarHBondContact O-CB 3.46Å; I660-S663 PolarHBondContact O-N 2.93Å; I660-S663 VanDerWaalsContact O-N 3.15Å; Q661-S663 PolarHBondContact O-N 2.78Å; S663-C665 PolarHBondContact O-N 2.79Å; S663-R666 PolarHBondContact O-N 3.31Å; S663-E667 VanDerWaalsContact O-CG 3.31Å; S663-E667 WeakPolarHBondContact O-CG 3.43Å; S663-E667 PolarHBondContact O-N 3.32Å
664	I	92.2	Very high	89.4	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-46.6	178.4	-64.8	168.4	0	0	0	110.9	L569 L571 I652 I660 Q661 R666 E667 A668 Y676 L736	L569-I664 HydrophobicContact CD1-CD1 4.44Å; L571-I664 HydrophobicContact CD2-CD1 3.38Å; I652-I664 HydrophobicContact CD1-CG1 4.35Å; I660-I664 HydrophobicContact CG2-CD1 3.8Å; I660-I664 HydrophobicContact CG2-CG1 4.38Å; I660-I664 WeakPolarHBondContact O-CG1 3.45Å; I660-I664 PolarHBondContact O-N 3.36Å; Q661-I664 PolarHBondContact O-N 2.94Å; I664-R666 PolarHBondContact O-N 2.99Å; I664-E667 PolarHBondContact O-N 2.8Å; I664-A668 WeakPolarHBondContact O-CB 3.43Å; I664-A668 PolarHBondContact O-N 3.43Å; I664-Y676 HydrophobicContact CG2-CD1 4.21Å; I664-Y676 HydrophobicContact CG2-CG 4.07Å; I664-L736 HydrophobicContact CD1-CD1 3.76Å; I664-L736 HydrophobicContact CG1-CD1 4.12Å
665	C	91	Very high	88.5	Confident	1 Å²	1	39 Å²	39	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-39	179.7	-71.3	0	0	0	0	112.6	Q661 S663 A668 G669 C670 V672	Q661-C665 WeakPolarHBondContact O-CB 3.43Å; Q661-C665 PolarHBondContact O-N 2.79Å; Q661-C665 PolarHBondContact O-SG 2.85Å; S663-C665 PolarHBondContact O-N 2.79Å; C665-A668 CarbonylContact O-C 3.55Å; C665-A668 PolarHBondContact O-N 3.37Å; C665-G669 PolarHBondContact O-N 3.47Å; C665-C670 PolarHBondContact O-N 3.08Å; C665-V672 HydrophobicContact CB-CG2 4Å
666	R	91	Very high	87.6	Confident	145 Å²	145	32.7 Å²	32.7	55%	0.547	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-48.1	174	-175.4	-171.4	69	-141.7	-6.9	111.3	N651 N662 S663 I664 A668 G669	N651-R666 PolarHBondContact O-NH2 2.8Å; N662-R666 VanDerWaalsContact O-CB 3.26Å; N662-R666 WeakPolarHBondContact O-CB 3.49Å; N662-R666 PolarHBondContact O-N 2.88Å; S663-R666 PolarHBondContact O-N 3.31Å; I664-R666 PolarHBondContact O-N 2.99Å; R666-A668 VanDerWaalsContact C-N 3.29Å; R666-A668 PolarHBondContact O-N 3.32Å; R666-G669 PolarHBondContact O-N 3.41Å
667	E	87.9	Confident	86.5	Confident	53 Å²	53	32 Å²	32	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-39.6	176.6	-62.2	-53.3	132.4	0	0	110.8	I650 I652 S663 I664 G669 H725 L729	I650-E667 HydrophobicContact CG2-CG 4.07Å; I652-E667 HydrophobicContact CD1-CG 4.43Å; S663-E667 VanDerWaalsContact O-CG 3.31Å; S663-E667 WeakPolarHBondContact O-CG 3.43Å; S663-E667 PolarHBondContact O-N 3.32Å; I664-E667 PolarHBondContact O-N 2.8Å; E667-G669 VanDerWaalsContact C-N 3.26Å; E667-G669 PolarHBondContact O-N 2.76Å; E667-H725 PolarHBondContact O-CE1 3.36Å; E667-H725 PolarHBondContact O-NE2 3.32Å; E667-H725 VanDerWaalsContact O-NE2 3.17Å; E667-L729 HydrophobicContact CB-CD2 4Å
668	A	84.7	Confident	85.3	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.008	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6	178.3	0	0	0	0	0	114.9	I664 C665 R666 C670 Y676 K721 L729	I664-A668 WeakPolarHBondContact O-CB 3.43Å; I664-A668 PolarHBondContact O-N 3.43Å; C665-A668 CarbonylContact O-C 3.55Å; C665-A668 PolarHBondContact O-N 3.37Å; R666-A668 VanDerWaalsContact C-N 3.29Å; R666-A668 PolarHBondContact O-N 3.32Å; A668-C670 PolarHBondContact O-N 2.86Å; A668-Y676 HydrophobicContact CB-CD2 3.53Å; A668-Y676 HydrophobicContact CB-CE2 4.28Å; A668-Y676 HydrophobicContact CB-CG 4.16Å; A668-K721 WeakPolarHBondContact O-CE 3.19Å; A668-K721 PolarHBondContact O-NZ 3.22Å; A668-L729 HydrophobicContact CB-CD1 3.68Å; A668-L729 HydrophobicContact CB-CD2 4.06Å
669	G	83.6	Confident	83.4	Confident	48 Å²	48	34.2 Å²	34.2	50%	0.495	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	25.1	-174.8	0	0	0	0	0	114.5	C665 R666 E667 L718	C665-G669 PolarHBondContact O-N 3.47Å; R666-G669 PolarHBondContact O-N 3.41Å; E667-G669 VanDerWaalsContact C-N 3.26Å; E667-G669 PolarHBondContact O-N 2.76Å; G669-L718 WeakPolarHBondContact O-CD2 3.23Å
670	C	81.6	Confident	81.4	Confident	31 Å²	31	35.2 Å²	35.2	21%	0.209	19%	0.193	C	C	.	.	S	Bend	trans	-111.6	161	179.1	70.7	0	0	0	0	112.3	C665 A668 G675	C665-C670 PolarHBondContact O-N 3.08Å; A668-C670 PolarHBondContact O-N 2.86Å; C670-G675 VanDerWaalsContact SG-C 3.57Å; C670-G675 PolarHBondContact SG-O 3.4Å
671	N	83.2	Confident	79.3	Confident	84 Å²	84	38.2 Å²	38.2	45%	0.449	22%	0.217	S	C	.	.			trans	-70	135.5	174.5	-170	-10.7	0	0	0	110	E673 V674 G675	N671-E673 PolarHBondContact ND2-OE2 3.39Å; N671-E673 PolarHBondContact O-N 3.39Å; N671-E673 VanDerWaalsContact O-N 3.13Å; N671-E673 PolarHBondContact OD1-N 2.82Å; N671-V674 HydrophobicContact CB-CG2 4.36Å; N671-V674 PolarHBondContact O-N 3.11Å; N671-G675 PolarHBondContact O-N 2.98Å
672	V	82.2	Confident	77.6	Confident	33 Å²	33	38.3 Å²	38.3	20%	0.2	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-36.7	176.2	172.4	0	0	0	0	112	F564 Q661 N662 C665 G675	F564-V672 HydrophobicContact CB-CG1 4.15Å; F564-V672 WeakPolarHBondContact CB-O 3.06Å; F564-V672 WeakPolarHBondContact CG-O 3.48Å; Q661-V672 HydrophobicContact CG-CG1 4.19Å; N662-V672 WeakPolarHBondContact OD1-CG1 3.38Å; N662-V672 WeakPolarHBondContact OD1-CG2 3.38Å; C665-V672 HydrophobicContact CB-CG2 4Å; V672-G675 PolarHBondContact O-N 2.91Å
673	E	73.3	Confident	75.9	Confident	52 Å²	52	35 Å²	35	24%	0.243	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-35.8	-179.9	-72.8	179.6	175.6	0	0	114.7	K561 F564 N671	K561-E673 HydrophobicContact CB-CB 4.35Å; K561-E673 HydrophobicContact CB-CG 3.91Å; K561-E673 HydrophobicContact CD-CG 4.48Å; K561-E673 WeakPolarHBondContact CD-OE2 3.41Å; K561-E673 WeakPolarHBondContact CE-OE2 3.47Å; K561-E673 HydrophobicContact CG-CB 3.77Å; K561-E673 VanDerWaalsContact CG-CD 3.46Å; K561-E673 HydrophobicContact CG-CG 3.73Å; K561-E673 WeakPolarHBondContact CG-OE2 3.3Å; K561-E673 IonicContact NZ-OE2 2.72Å; K561-E673 PolarHBondContact NZ-OE2 3.13Å; F564-E673 WeakPolarHBondContact CD2-O 3.32Å; N671-E673 PolarHBondContact ND2-OE2 3.39Å; N671-E673 PolarHBondContact O-N 3.39Å; N671-E673 VanDerWaalsContact O-N 3.13Å; N671-E673 PolarHBondContact OD1-N 2.82Å
674	V	72.5	Confident	74.1	Confident	66 Å²	66	40.5 Å²	40.5	40%	0.4	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-43.1	174.8	179.2	0	0	0	0	108.3	W600 N671 H677	W600-V674 HydrophobicContact CH2-CG1 3.99Å; W600-V674 HydrophobicContact CZ3-CG1 4.25Å; N671-V674 HydrophobicContact CB-CG2 4.36Å; N671-V674 PolarHBondContact O-N 3.11Å; V674-H677 PolarHBondContact O-NE2 2.82Å; V674-H677 VanDerWaalsContact O-NE2 3.09Å
675	G	74.8	Confident	72.4	Confident	3 Å²	3	41.8 Å²	41.8	3%	0.031	23%	0.23	C	C	.	.			trans	87	166.5	-170.2	0	0	0	0	0	111.7	Q661 C670 N671 V672	Q661-G675 VanDerWaalsContact NE2-CA 3.35Å; C670-G675 VanDerWaalsContact SG-C 3.57Å; C670-G675 PolarHBondContact SG-O 3.4Å; N671-G675 PolarHBondContact O-N 2.98Å; V672-G675 PolarHBondContact O-N 2.91Å
676	Y	76.8	Confident	70.6	Confident	6 Å²	6	42.2 Å²	42.2	2%	0.024	23%	0.233	C	C	.	.			trans	-78.6	123.9	168.4	169.9	-107	0	0	0	109.4	I664 A668 E726 L729 V733	I664-Y676 HydrophobicContact CG2-CD1 4.21Å; I664-Y676 HydrophobicContact CG2-CG 4.07Å; A668-Y676 HydrophobicContact CB-CD2 3.53Å; A668-Y676 HydrophobicContact CB-CE2 4.28Å; A668-Y676 HydrophobicContact CB-CG 4.16Å; Y676-E726 PolarHBondContact OH-OE1 3.2Å; Y676-L729 HydrophobicContact CD2-CD1 4.07Å; Y676-L729 HydrophobicContact CE1-CB 4.16Å; Y676-L729 HydrophobicContact CE2-CB 3.93Å; Y676-L729 HydrophobicContact CE2-CD1 3.51Å; Y676-L729 HydrophobicContact CE2-CG 4.31Å; Y676-L729 WeakPolarHBondContact OH-CB 3.46Å; Y676-V733 HydrophobicContact CD1-CG2 3.9Å; Y676-V733 HydrophobicContact CE1-CG2 3.93Å
677	H	72.1	Confident	68.9	Low	32 Å²	32	38.1 Å²	38.1	15%	0.148	22%	0.222	C	C	.	.			trans	-124.1	144.3	165	-60.4	-67.5	0	0	0	107	R570 D572 W600 V674 S679	R570-H677 VanDerWaalsContact CZ-CE1 3.42Å; R570-H677 PolarHBondContact NH2-CE1 2.9Å; D572-H677 IonicContact OD2-CE1 2.75Å; D572-H677 PolarHBondContact OD2-CE1 2.9Å; D572-H677 IonicContact OD2-ND1 3.62Å; D572-H677 PolarHBondContact OD2-ND1 3.03Å; W600-H677 AromaticContact CE2-NE2 3.69Å; W600-H677 AromaticContact CH2-CD2 3.85Å; W600-H677 AromaticContact CZ2-CD2 3.34Å; W600-H677 WeakPolarHBondContact CZ2-CD2 3.37Å; W600-H677 AromaticContact CZ2-CE1 3.96Å; W600-H677 AromaticContact CZ2-NE2 3.31Å; W600-H677 VanDerWaalsContact CZ2-NE2 3.31Å; W600-H677 WeakPolarHBondContact CZ2-NE2 3.45Å; W600-H677 AromaticContact NE1-CE1 3.96Å; W600-H677 AromaticContact NE1-NE2 3.98Å; V674-H677 PolarHBondContact O-NE2 2.82Å; V674-H677 VanDerWaalsContact O-NE2 3.09Å; H677-S679 PolarHBondContact O-N 3.42Å
678	Y	69.9	Low	67.2	Low	16 Å²	16	40.8 Å²	40.8	6%	0.063	24%	0.238	C	C	.	.			trans	-64.7	136.9	169.1	45.4	-90.3	0	0	0	109	D572 V574 P592 Y593 I594 L682 E726 L730	D572-Y678 HydrophobicContact CB-CE1 4.43Å; V574-Y678 HydrophobicContact CG2-CD1 4.06Å; V574-Y678 HydrophobicContact CG2-CE1 4.07Å; V574-Y678 HydrophobicContact CG2-CG 4.43Å; P592-Y678 HydrophobicContact CB-CE2 4.13Å; Y593-Y678 WeakPolarHBondContact O-CE2 3.45Å; Y593-Y678 PolarHBondContact O-OH 2.94Å; I594-Y678 HydrophobicContact CD1-CD2 3.49Å; I594-Y678 VanDerWaalsContact CD1-CD2 3.49Å; I594-Y678 HydrophobicContact CD1-CE2 3.36Å; Y678-L682 HydrophobicContact CD2-CD2 3.9Å; Y678-L682 HydrophobicContact CG-CD2 4.05Å; Y678-E726 WeakPolarHBondContact CA-OE1 3.34Å; Y678-E726 WeakPolarHBondContact CB-OE1 3.24Å; Y678-L730 HydrophobicContact CD1-CD2 4.31Å
679	S	55.9	Low	65.6	Low	39 Å²	39	42.6 Å²	42.6	27%	0.273	25%	0.246	S	C	.	.			trans	-85.1	165.5	-169.6	61.7	0	0	0	0	113.1	H677 A681 L682 E726	H677-S679 PolarHBondContact O-N 3.42Å; S679-A681 PolarHBondContact O-N 3.35Å; S679-A681 VanDerWaalsContact OG-CB 3.31Å; S679-A681 WeakPolarHBondContact OG-CB 3.39Å; S679-A681 PolarHBondContact OG-N 3.03Å; S679-L682 WeakPolarHBondContact O-CB 3.09Å; S679-L682 PolarHBondContact O-N 2.81Å; S679-E726 PolarHBondContact N-OE1 3.1Å; S679-E726 VanDerWaalsContact N-OE1 3.1Å
680	D	56.4	Low	63.9	Low	46 Å²	46	41.5 Å²	41.5	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-57.5	-14.4	166.8	-56.3	-42.2	0	0	0	112.3	L682 V683 K684	D680-L682 VanDerWaalsContact C-N 3.28Å; D680-L682 PolarHBondContact O-N 2.81Å; D680-V683 CarbonylContact O-C 3.37Å; D680-V683 WeakPolarHBondContact O-CA 3.41Å; D680-V683 VanDerWaalsContact O-CB 3.27Å; D680-V683 WeakPolarHBondContact O-CB 3.41Å; D680-V683 PolarHBondContact O-N 3.04Å; D680-V683 VanDerWaalsContact O-N 3.11Å; D680-K684 PolarHBondContact O-N 2.93Å
681	A	51.7	Low	62.4	Low	62 Å²	62	44.8 Å²	44.8	51%	0.512	25%	0.251	S	S	.	.	H	α-helix	trans	-67	-27.6	170.3	0	0	0	0	0	112.9	S679 L685	S679-A681 PolarHBondContact O-N 3.35Å; S679-A681 VanDerWaalsContact OG-CB 3.31Å; S679-A681 WeakPolarHBondContact OG-CB 3.39Å; S679-A681 PolarHBondContact OG-N 3.03Å; A681-L685 PolarHBondContact O-N 2.9Å
682	L	59.5	Low	60.7	Low	3 Å²	3	44 Å²	44	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-69.5	-38.4	168.6	-174.3	68.6	0	0	0	110.4	V574 Y678 S679 D680 L685 C686 L730 L872	V574-L682 HydrophobicContact CG2-CD2 4.22Å; Y678-L682 HydrophobicContact CD2-CD2 3.9Å; Y678-L682 HydrophobicContact CG-CD2 4.05Å; S679-L682 WeakPolarHBondContact O-CB 3.09Å; S679-L682 PolarHBondContact O-N 2.81Å; D680-L682 VanDerWaalsContact C-N 3.28Å; D680-L682 PolarHBondContact O-N 2.81Å; L682-L685 WeakPolarHBondContact O-CB 3.42Å; L682-L685 PolarHBondContact O-N 2.79Å; L682-C686 PolarHBondContact O-N 2.93Å; L682-C686 VanDerWaalsContact O-N 3.08Å; L682-C686 PolarHBondContact O-SG 2.94Å; L682-C686 VanDerWaalsContact O-SG 3.38Å; L682-L730 HydrophobicContact CD1-CD1 4.35Å; L682-L730 HydrophobicContact CD2-CD1 4.22Å; L682-L872 HydrophobicContact CD1-CB 4.11Å
683	V	58.3	Low	59	Low	6 Å²	6	43.7 Å²	43.7	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-47.1	172.5	179.9	0	0	0	0	110.1	P592 I594 D680 L685 C686 D687 L709	P592-V683 HydrophobicContact CG-CG2 3.99Å; I594-V683 HydrophobicContact CD1-CG2 3.61Å; I594-V683 HydrophobicContact CG1-CG2 3.69Å; D680-V683 CarbonylContact O-C 3.37Å; D680-V683 WeakPolarHBondContact O-CA 3.41Å; D680-V683 VanDerWaalsContact O-CB 3.27Å; D680-V683 WeakPolarHBondContact O-CB 3.41Å; D680-V683 PolarHBondContact O-N 3.04Å; D680-V683 VanDerWaalsContact O-N 3.11Å; V683-L685 PolarHBondContact O-N 3.5Å; V683-C686 CarbonylContact O-C 3.58Å; V683-C686 VanDerWaalsContact O-CA 3.31Å; V683-C686 WeakPolarHBondContact O-CA 3.43Å; V683-C686 VanDerWaalsContact O-CB 3.24Å; V683-C686 WeakPolarHBondContact O-CB 3.35Å; V683-C686 PolarHBondContact O-N 3.33Å; V683-D687 PolarHBondContact O-N 3.35Å; V683-L709 HydrophobicContact CG1-CD1 4.01Å
684	K	58.8	Low	57.3	Low	120 Å²	120	49 Å²	49	52%	0.522	29%	0.291	S	S	.	.	H	α-helix	trans	-58.5	-36.8	175.5	-173.5	178.8	177	-175.6	0	112.4	D680 C686 D687 D688	D680-K684 PolarHBondContact O-N 2.93Å; K684-C686 VanDerWaalsContact C-N 3.31Å; K684-D687 PolarHBondContact O-N 2.86Å; K684-D688 WeakPolarHBondContact O-CB 3.39Å; K684-D688 VanDerWaalsContact O-CG 3.29Å; K684-D688 PolarHBondContact O-N 3.42Å
685	L	55.4	Low	55.9	Low	31 Å²	31	48.2 Å²	48.2	16%	0.162	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-38.9	173.1	-174.5	144.2	0	0	0	112	A681 L682 V683 F689 L723	A681-L685 PolarHBondContact O-N 2.9Å; L682-L685 WeakPolarHBondContact O-CB 3.42Å; L682-L685 PolarHBondContact O-N 2.79Å; V683-L685 PolarHBondContact O-N 3.5Å; L685-F689 VanDerWaalsContact O-CB 3.3Å; L685-F689 WeakPolarHBondContact O-CB 3.33Å; L685-F689 PolarHBondContact O-N 3.48Å; L685-L723 HydrophobicContact CD1-CD1 3.14Å; L685-L723 HydrophobicContact CD1-CD2 3.29Å; L685-L723 HydrophobicContact CD1-CG 3.78Å
686	C	53.7	Low	54.5	Low	9 Å²	9	56.8 Å²	56.8	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-65.2	-39.4	170.5	-60.7	0	0	0	0	111.9	L682 V683 K684 F689 M690 S873	L682-C686 PolarHBondContact O-N 2.93Å; L682-C686 VanDerWaalsContact O-N 3.08Å; L682-C686 PolarHBondContact O-SG 2.94Å; L682-C686 VanDerWaalsContact O-SG 3.38Å; V683-C686 CarbonylContact O-C 3.58Å; V683-C686 VanDerWaalsContact O-CA 3.31Å; V683-C686 WeakPolarHBondContact O-CA 3.43Å; V683-C686 VanDerWaalsContact O-CB 3.24Å; V683-C686 WeakPolarHBondContact O-CB 3.35Å; V683-C686 PolarHBondContact O-N 3.33Å; K684-C686 VanDerWaalsContact C-N 3.31Å; C686-F689 WeakPolarHBondContact O-CB 3.27Å; C686-F689 PolarHBondContact O-N 3.38Å; C686-M690 VanDerWaalsContact O-CG 3.29Å; C686-M690 WeakPolarHBondContact O-CG 3.23Å; C686-M690 PolarHBondContact O-N 2.84Å; C686-S873 VanDerWaalsContact SG-CB 3.51Å
687	D	53.9	Low	53	Low	59 Å²	59	60.9 Å²	60.9	32%	0.316	35%	0.345	S	S	.	.	H	α-helix	trans	-69.4	-45	179.6	-68.6	-20	0	0	0	112.5	V683 K684 F689 M690 S691	V683-D687 PolarHBondContact O-N 3.35Å; K684-D687 PolarHBondContact O-N 2.86Å; D687-F689 PolarHBondContact O-N 3.31Å; D687-M690 PolarHBondContact O-N 3.43Å; D687-S691 WeakPolarHBondContact O-CB 3.43Å; D687-S691 PolarHBondContact O-N 2.88Å; D687-S691 PolarHBondContact O-OG 2.97Å
688	D	53.8	Low	51.6	Low	109 Å²	109	63.9 Å²	63.9	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-59.4	-32	174.2	-73.7	-17.9	0	0	0	110.2	K684	K684-D688 WeakPolarHBondContact O-CB 3.39Å; K684-D688 VanDerWaalsContact O-CG 3.29Å; K684-D688 PolarHBondContact O-N 3.42Å
689	F	49.8	Very low	50.4	Low	40 Å²	40	69 Å²	69	18%	0.175	39%	0.393	C	S	.	.	H	α-helix	trans	-72.4	-50.8	172.7	163.6	-89.7	0	0	0	112.7	L685 C686 D687 S691 G692 V693 F853 N854	L685-F689 VanDerWaalsContact O-CB 3.3Å; L685-F689 WeakPolarHBondContact O-CB 3.33Å; L685-F689 PolarHBondContact O-N 3.48Å; C686-F689 WeakPolarHBondContact O-CB 3.27Å; C686-F689 PolarHBondContact O-N 3.38Å; D687-F689 PolarHBondContact O-N 3.31Å; F689-S691 PolarHBondContact O-N 3.05Å; F689-G692 PolarHBondContact O-N 3.5Å; F689-G692 VanDerWaalsContact O-N 3.11Å; F689-V693 HydrophobicContact CE1-CG2 4.32Å; F689-V693 HydrophobicContact CZ-CG2 4.45Å; F689-F853 HydrophobicContact CE1-CD2 4.4Å; F689-F853 HydrophobicContact CE1-CE2 4.46Å; F689-F853 HydrophobicContact CE2-CB 3.81Å; F689-F853 AromaticContact CE2-CD2 3.33Å; F689-F853 HydrophobicContact CE2-CD2 3.33Å; F689-F853 HydrophobicContact CE2-CE2 4.02Å; F689-F853 AromaticContact CE2-CG 3.78Å; F689-F853 HydrophobicContact CE2-CG 3.78Å; F689-F853 HydrophobicContact CZ-CB 3.83Å; F689-F853 HydrophobicContact CZ-CD1 4.08Å; F689-F853 AromaticContact CZ-CD2 3.19Å; F689-F853 HydrophobicContact CZ-CD2 3.19Å; F689-F853 HydrophobicContact CZ-CE1 4.39Å; F689-F853 AromaticContact CZ-CE2 3.57Å; F689-F853 HydrophobicContact CZ-CE2 3.57Å; F689-F853 AromaticContact CZ-CG 3.46Å; F689-F853 HydrophobicContact CZ-CG 3.46Å; F689-F853 VanDerWaalsContact CZ-CG 3.46Å; F689-F853 HydrophobicContact CZ-CZ 4.17Å; F689-N854 WeakPolarHBondContact CD2-O 3.38Å; F689-N854 WeakPolarHBondContact CE2-O 3.28Å
690	M	48.1	Very low	50.1	Low	25 Å²	25	69.4 Å²	69.4	12%	0.123	39%	0.392	C	S	.	.	H	α-helix	trans	-62.7	-28.8	-179.1	-73.3	-62.6	-68.9	0	0	112.2	C686 D687 G692 V693 I695 M704 F846	C686-M690 VanDerWaalsContact O-CG 3.29Å; C686-M690 WeakPolarHBondContact O-CG 3.23Å; C686-M690 PolarHBondContact O-N 2.84Å; D687-M690 PolarHBondContact O-N 3.43Å; M690-G692 PolarHBondContact O-N 3.12Å; M690-G692 VanDerWaalsContact O-N 3.11Å; M690-V693 PolarHBondContact O-N 2.94Å; M690-V693 HydrophobicContact SD-CG2 4.47Å; M690-I695 HydrophobicContact CE-CD1 3.95Å; M690-M704 HydrophobicContact CE-CE 4.17Å; M690-F846 HydrophobicContact CE-CE2 4.48Å; M690-F846 HydrophobicContact CE-CZ 4.18Å; M690-F846 HydrophobicContact SD-CZ 3.92Å
691	S	50.6	Low	49.6	Very low	99 Å²	99	70.3 Å²	70.3	69%	0.692	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.2	176.1	-59.6	0	0	0	0	113.8	D687 F689	D687-S691 WeakPolarHBondContact O-CB 3.43Å; D687-S691 PolarHBondContact O-N 2.88Å; D687-S691 PolarHBondContact O-OG 2.97Å; F689-S691 PolarHBondContact O-N 3.05Å
692	G	47.1	Very low	49.3	Very low	67 Å²	67	73.3 Å²	73.3	69%	0.691	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-5.6	175.5	0	0	0	0	0	115.1	F689 M690	F689-G692 PolarHBondContact O-N 3.5Å; F689-G692 VanDerWaalsContact O-N 3.11Å; M690-G692 PolarHBondContact O-N 3.12Å; M690-G692 VanDerWaalsContact O-N 3.11Å
693	V	46	Very low	48.8	Very low	28 Å²	28	78 Å²	78	17%	0.17	42%	0.422	C	S	.	.			trans	-90.1	118.1	-176.7	-172.7	0	0	0	0	109.4	F689 M690 I695 T850	F689-V693 HydrophobicContact CE1-CG2 4.32Å; F689-V693 HydrophobicContact CZ-CG2 4.45Å; M690-V693 PolarHBondContact O-N 2.94Å; M690-V693 HydrophobicContact SD-CG2 4.47Å; V693-I695 VanDerWaalsContact C-N 3.26Å; V693-I695 HydrophobicContact CB-CG1 4.33Å; V693-I695 HydrophobicContact CG1-CD1 4.23Å; V693-I695 HydrophobicContact CG1-CG1 3.65Å; V693-I695 PolarHBondContact O-N 3.22Å; V693-T850 HydrophobicContact CG1-CG2 3.95Å
694	L	38	Very low	48.2	Very low	164 Å²	164	81.1 Å²	81.1	86%	0.859	44%	0.437	S	S	*	.			trans	-73.8	76.7	172.8	-69.6	168.7	0	0	0	109.7
695	I	42.8	Very low	47.3	Very low	48 Å²	48	82.8 Å²	82.8	25%	0.246	44%	0.444	C	S	.	.			trans	-82.7	121.8	166.9	-53	-177.2	0	0	0	106.9	L588 M690 V693 D697	L588-I695 WeakPolarHBondContact O-CD1 3.24Å; M690-I695 HydrophobicContact CE-CD1 3.95Å; V693-I695 VanDerWaalsContact C-N 3.26Å; V693-I695 HydrophobicContact CB-CG1 4.33Å; V693-I695 HydrophobicContact CG1-CD1 4.23Å; V693-I695 HydrophobicContact CG1-CG1 3.65Å; V693-I695 PolarHBondContact O-N 3.22Å; I695-D697 PolarHBondContact O-N 3.41Å
696	H	46.2	Very low	46.7	Very low	184 Å²	184	86.6 Å²	86.6	85%	0.852	47%	0.469	S	S	*	.	S	Bend	trans	-66.1	0.8	-172	-86.5	-65.8	0	0	0	115.8
697	D	44.2	Very low	46.1	Very low	92 Å²	92	92.4 Å²	92.4	49%	0.492	50%	0.496	S	S	.	.			trans	-109.4	90.9	176	-82.3	-38.2	0	0	0	112.6	I695 H699 L700	I695-D697 PolarHBondContact O-N 3.41Å; D697-H699 PolarHBondContact O-N 2.85Å; D697-L700 HydrophobicContact CB-CD1 3.97Å; D697-L700 HydrophobicContact CB-CG 4.46Å; D697-L700 PolarHBondContact O-N 3.17Å
698	S	42.9	Very low	45.4	Very low	95 Å²	95	94.3 Å²	94.3	66%	0.664	51%	0.507	S	S	*	.	H	α-helix	trans	-54.8	-30	176.3	56.2	0	0	0	0	114.9	L700	S698-L700 VanDerWaalsContact C-N 3.34Å; S698-L700 PolarHBondContact O-N 3.3Å
699	H	46.4	Very low	45	Very low	122 Å²	122	91.5 Å²	91.5	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-68.3	-30.9	179.8	-170.6	-86.8	0	0	0	112.7	D697 E702 E703	D697-H699 PolarHBondContact O-N 2.85Å; H699-E702 WeakPolarHBondContact O-CB 3.47Å; H699-E702 PolarHBondContact O-N 3.45Å; H699-E703 IonicContact CE1-OE1 2.68Å; H699-E703 IonicContact ND1-OE1 3.33Å; H699-E703 PolarHBondContact O-N 3.15Å
700	L	48.3	Very low	44.3	Very low	48 Å²	48	95.4 Å²	95.4	25%	0.251	51%	0.514	S	S	.	.	H	α-helix	trans	-84.8	-27	-177.5	-70.3	167.2	0	0	0	112.6	L588 D697 S698 E702 E703 M704	L588-L700 HydrophobicContact CD1-CD1 3.97Å; D697-L700 HydrophobicContact CB-CD1 3.97Å; D697-L700 HydrophobicContact CB-CG 4.46Å; D697-L700 PolarHBondContact O-N 3.17Å; S698-L700 VanDerWaalsContact C-N 3.34Å; S698-L700 PolarHBondContact O-N 3.3Å; L700-E702 PolarHBondContact O-N 3.01Å; L700-E703 VanDerWaalsContact CD2-OE2 3.29Å; L700-E703 WeakPolarHBondContact CD2-OE2 3.26Å; L700-E703 PolarHBondContact O-N 3.26Å; L700-E703 VanDerWaalsContact O-N 3.16Å; L700-M704 WeakPolarHBondContact O-CG 3.24Å; L700-M704 PolarHBondContact O-N 3.16Å
701	I	46.6	Very low	43.7	Very low	65 Å²	65	96.9 Å²	96.9	33%	0.333	53%	0.527	S	S	.	.	H	α-helix	trans	-60.7	-36.4	167.6	-64.1	174.6	0	0	0	109.7	K705	I701-K705 HydrophobicContact CG2-CD 4.06Å; I701-K705 WeakPolarHBondContact O-CB 3.38Å; I701-K705 WeakPolarHBondContact O-CG 3.41Å; I701-K705 PolarHBondContact O-N 2.65Å
702	E	44.7	Very low	43	Very low	126 Å²	126	94 Å²	94	59%	0.589	51%	0.505	S	S	*	.	H	α-helix	trans	-66.1	-44.8	171.3	-76.3	-172.3	155.2	0	0	111.7	H699 L700 M704 K705 T706	H699-E702 WeakPolarHBondContact O-CB 3.47Å; H699-E702 PolarHBondContact O-N 3.45Å; L700-E702 PolarHBondContact O-N 3.01Å; E702-M704 VanDerWaalsContact C-N 3.35Å; E702-M704 PolarHBondContact O-N 3.17Å; E702-K705 CarbonylContact O-C 3.6Å; E702-K705 PolarHBondContact O-N 3.05Å; E702-K705 VanDerWaalsContact O-N 3.11Å; E702-T706 VanDerWaalsContact O-CG2 3.28Å; E702-T706 WeakPolarHBondContact O-CG2 3.5Å; E702-T706 PolarHBondContact O-N 3.39Å; E702-T706 PolarHBondContact O-OG1 3.21Å
703	E	48.4	Very low	42.7	Very low	101 Å²	101	96.2 Å²	96.2	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-58.3	-44.1	175.1	-74	-176.3	-170.8	0	0	112.5	H699 L700 K705 T706 M707	H699-E703 IonicContact CE1-OE1 2.68Å; H699-E703 IonicContact ND1-OE1 3.33Å; H699-E703 PolarHBondContact O-N 3.15Å; L700-E703 VanDerWaalsContact CD2-OE2 3.29Å; L700-E703 WeakPolarHBondContact CD2-OE2 3.26Å; L700-E703 PolarHBondContact O-N 3.26Å; L700-E703 VanDerWaalsContact O-N 3.16Å; E703-K705 VanDerWaalsContact C-N 3.35Å; E703-K705 PolarHBondContact O-N 3.39Å; E703-T706 WeakPolarHBondContact CA-OG1 3.19Å; E703-T706 PolarHBondContact O-N 3.23Å; E703-T706 PolarHBondContact O-OG1 3.45Å; E703-M707 PolarHBondContact O-N 2.93Å; E703-M707 VanDerWaalsContact O-N 3.09Å
704	M	45.9	Very low	42.2	Very low	71 Å²	71	103 Å²	103	35%	0.35	54%	0.535	S	S	.	.	H	α-helix	trans	-64.6	-35.5	175	-71.1	-174.6	66.8	0	0	112.8	M690 L700 E702 M707	M690-M704 HydrophobicContact CE-CE 4.17Å; L700-M704 WeakPolarHBondContact O-CG 3.24Å; L700-M704 PolarHBondContact O-N 3.16Å; E702-M704 VanDerWaalsContact C-N 3.35Å; E702-M704 PolarHBondContact O-N 3.17Å; M704-M707 PolarHBondContact O-N 3.48Å
705	K	41.5	Very low	41.9	Very low	156 Å²	156	104.7 Å²	104.7	68%	0.678	54%	0.535	S	S	*	.	H	α-helix	trans	-72.2	-29	173.7	-75.9	171.1	-179.7	173.9	0	112.8	I701 E702 E703 M707	I701-K705 HydrophobicContact CG2-CD 4.06Å; I701-K705 WeakPolarHBondContact O-CB 3.38Å; I701-K705 WeakPolarHBondContact O-CG 3.41Å; I701-K705 PolarHBondContact O-N 2.65Å; E702-K705 CarbonylContact O-C 3.6Å; E702-K705 PolarHBondContact O-N 3.05Å; E702-K705 VanDerWaalsContact O-N 3.11Å; E703-K705 VanDerWaalsContact C-N 3.35Å; E703-K705 PolarHBondContact O-N 3.39Å; K705-M707 VanDerWaalsContact C-N 3.33Å
706	T	41.5	Very low	41.7	Very low	111 Å²	111	108.8 Å²	108.8	68%	0.681	56%	0.558	S	S	*	*	H	α-helix	trans	-80.4	-13.4	176.3	60.8	0	0	0	0	113.3	E702 E703 D708	E702-T706 VanDerWaalsContact O-CG2 3.28Å; E702-T706 WeakPolarHBondContact O-CG2 3.5Å; E702-T706 PolarHBondContact O-N 3.39Å; E702-T706 PolarHBondContact O-OG1 3.21Å; E703-T706 WeakPolarHBondContact CA-OG1 3.19Å; E703-T706 PolarHBondContact O-N 3.23Å; E703-T706 PolarHBondContact O-OG1 3.45Å; T706-D708 PolarHBondContact O-N 3.42Å
707	M	42.4	Very low	41.1	Very low	130 Å²	130	110 Å²	110	64%	0.64	56%	0.56	S	S	*	*	S	Bend	trans	-64.3	89.7	157.9	-89.4	-171.7	-168.5	0	0	107.8	E703 M704 K705 L709	E703-M707 PolarHBondContact O-N 2.93Å; E703-M707 VanDerWaalsContact O-N 3.09Å; M704-M707 PolarHBondContact O-N 3.48Å; K705-M707 VanDerWaalsContact C-N 3.33Å; M707-L709 HydrophobicContact CB-CD1 4.43Å; M707-L709 PolarHBondContact O-N 2.75Å
708	D	39	Very low	41	Very low	100 Å²	100	110.1 Å²	110.1	54%	0.535	56%	0.56	S	S	.	*			trans	-66.7	85.8	173.5	-174.7	18.8	0	0	0	109.4	T706 N710 S711	T706-D708 PolarHBondContact O-N 3.42Å; D708-N710 VanDerWaalsContact C-N 3.27Å; D708-N710 PolarHBondContact OD1-N 3.27Å; D708-S711 VanDerWaalsContact CG-OG 3.3Å; D708-S711 PolarHBondContact OD1-N 2.66Å; D708-S711 WeakPolarHBondContact OD2-CB 3.24Å; D708-S711 PolarHBondContact OD2-OG 2.78Å
709	L	44.2	Very low	40.8	Very low	49 Å²	49	110.5 Å²	110.5	26%	0.257	56%	0.561	S	S	.	*			trans	-82.1	-9.2	171.9	-74.2	152.4	0	0	0	111.4	V683 M707	V683-L709 HydrophobicContact CG1-CD1 4.01Å; M707-L709 HydrophobicContact CB-CD1 4.43Å; M707-L709 PolarHBondContact O-N 2.75Å
710	N	36.2	Very low	40.6	Very low	122 Å²	122	113.1 Å²	113.1	65%	0.652	58%	0.578	S	S	*	*	S	Bend	trans	-102.5	-6.4	-166.8	-77.3	-48.6	0	0	0	114.9	D708 V712	D708-N710 VanDerWaalsContact C-N 3.27Å; D708-N710 PolarHBondContact OD1-N 3.27Å; N710-V712 PolarHBondContact O-N 3.3Å
711	S	34.5	Very low	41	Very low	56 Å²	56	113.9 Å²	113.9	39%	0.392	58%	0.579	S	S	.	*	S	Bend	trans	-76.8	4.4	-177.2	45.2	0	0	0	0	115.2	D708	D708-S711 VanDerWaalsContact CG-OG 3.3Å; D708-S711 PolarHBondContact OD1-N 2.66Å; D708-S711 WeakPolarHBondContact OD2-CB 3.24Å; D708-S711 PolarHBondContact OD2-OG 2.78Å
712	V	36.5	Very low	42.1	Very low	40 Å²	40	115 Å²	115	24%	0.242	59%	0.589	C	S	.	*			trans	-103.6	139.6	-170.9	-162.6	0	0	0	0	112.5	D522 N710	D522-V712 WeakPolarHBondContact OD2-CG2 3.47Å; N710-V712 PolarHBondContact O-N 3.3Å
713	V	40.5	Very low	43.3	Very low	112 Å²	112	112.1 Å²	112.1	68%	0.679	58%	0.577	S	S	*	*			trans	93.6	110.5	165.9	-159	0	0	0	0	117.4	K715	V713-K715 PolarHBondContact O-N 3.31Å
714	Q	35.1	Very low	44.5	Very low	172 Å²	172	112.4 Å²	112.4	80%	0.804	58%	0.579	S	S	*	*			trans	-41.1	126.9	161.7	-68.1	176	-11.2	0	0	111.6	D716	Q714-D716 PolarHBondContact O-N 3.41Å
715	K	32.2	Very low	46.1	Very low	199 Å²	199	111.7 Å²	111.7	87%	0.865	58%	0.575	S	S	*	*			trans	-68.3	60.5	174.8	-67.1	177.4	178.4	171.6	0	112.3	V713 K717	V713-K715 PolarHBondContact O-N 3.31Å; K715-K717 PolarHBondContact O-N 3.23Å
716	D	39.4	Very low	47.9	Very low	134 Å²	134	104.7 Å²	104.7	72%	0.717	54%	0.544	S	S	*	.			trans	-69.5	112.6	147.4	-84.8	-18.2	0	0	0	105.5	Q714 L718	Q714-D716 PolarHBondContact O-N 3.41Å; D716-L718 PolarHBondContact O-N 2.67Å
717	K	33.3	Very low	49.9	Very low	208 Å²	208	99.4 Å²	99.4	90%	0.904	51%	0.512	S	S	*	.			trans	-60.9	77	-176.1	-66.4	177.4	-179.5	177	0	110.5	K715	K715-K717 PolarHBondContact O-N 3.23Å
718	L	41.6	Very low	52	Low	95 Å²	95	96.3 Å²	96.3	50%	0.497	49%	0.493	S	S	.	.			trans	-61	141	158.6	-88.6	109.8	0	0	0	107.4	G669 D716 L720	G669-L718 WeakPolarHBondContact O-CD2 3.23Å; D716-L718 PolarHBondContact O-N 2.67Å; L718-L720 PolarHBondContact O-N 3.38Å
719	P	39.5	Very low	54.3	Low	104 Å²	104	91.8 Å²	91.8	68%	0.675	47%	0.469	S	S	*	.			trans	-50.3	132.8	173.6	-20.8	29.7	0	0	0	109	K721	P719-K721 PolarHBondContact O-N 3.07Å
720	L	41.6	Very low	56.4	Low	176 Å²	176	89.8 Å²	89.8	92%	0.921	46%	0.458	S	S	*	.			trans	-51.8	103.4	169.6	-95.4	135.2	0	0	0	107.8	L718 T722	L718-L720 PolarHBondContact O-N 3.38Å; L720-T722 PolarHBondContact O-N 3.13Å
721	K	57.4	Low	59	Low	64 Å²	64	84 Å²	84	28%	0.278	43%	0.427	S	S	.	.			trans	-69.5	127.6	-179.1	-68.7	-179.3	175.3	-173.9	0	108.1	A668 P719	A668-K721 WeakPolarHBondContact O-CE 3.19Å; A668-K721 PolarHBondContact O-NZ 3.22Å; P719-K721 PolarHBondContact O-N 3.07Å
722	T	68.1	Low	61.8	Low	88 Å²	88	81.4 Å²	81.4	54%	0.54	41%	0.409	S	S	.	.			trans	-68.4	147.4	169.5	58.7	0	0	0	0	109.4	L720 E724 H725 E726	L720-T722 PolarHBondContact O-N 3.13Å; T722-E724 PolarHBondContact O-N 3.15Å; T722-H725 VanDerWaalsContact O-CB 3.32Å; T722-H725 WeakPolarHBondContact O-CB 3.14Å; T722-H725 PolarHBondContact O-N 3.25Å; T722-H725 WeakPolarHBondContact OG1-CB 3.21Å; T722-H725 PolarHBondContact OG1-N 3.1Å; T722-E726 PolarHBondContact O-N 3Å
723	L	70.1	Confident	64.5	Low	66 Å²	66	79.7 Å²	79.7	35%	0.346	40%	0.399	S	S	.	.	H	α-helix	trans	-49.9	-39.7	170.5	173.7	55.2	0	0	0	112.9	L685 H725 E726 A727 V856 L872	L685-L723 HydrophobicContact CD1-CD1 3.14Å; L685-L723 HydrophobicContact CD1-CD2 3.29Å; L685-L723 HydrophobicContact CD1-CG 3.78Å; L723-H725 VanDerWaalsContact C-N 3.29Å; L723-H725 PolarHBondContact O-N 3Å; L723-E726 PolarHBondContact O-N 3.38Å; L723-A727 WeakPolarHBondContact O-CB 3.15Å; L723-A727 PolarHBondContact O-N 2.99Å; L723-V856 HydrophobicContact CD2-CB 4.39Å; L723-V856 HydrophobicContact CD2-CG1 3.96Å; L723-V856 HydrophobicContact CD2-CG2 4.16Å; L723-L872 HydrophobicContact CD1-CD1 3.96Å
724	E	75	Confident	67	Low	107 Å²	107	74.9 Å²	74.9	50%	0.5	37%	0.371	S	S	.	.	H	α-helix	trans	-59.2	-40.9	177.6	-170	-172.7	154.9	0	0	112.6	T722 A727 R728 V957	T722-E724 PolarHBondContact O-N 3.15Å; E724-A727 PolarHBondContact O-N 2.7Å; E724-R728 WeakPolarHBondContact O-CB 3.22Å; E724-R728 WeakPolarHBondContact O-CD 3.24Å; E724-R728 WeakPolarHBondContact O-CG 3.04Å; E724-R728 PolarHBondContact O-N 2.97Å; E724-V957 HydrophobicContact CB-CG2 4.38Å; E724-V957 HydrophobicContact CG-CG2 3.99Å
725	H	79.6	Confident	69.7	Low	57 Å²	57	67.8 Å²	67.8	26%	0.264	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-45.2	177.1	-176.4	71.6	0	0	0	112	E667 T722 L723 R728 L729	E667-H725 PolarHBondContact O-CE1 3.36Å; E667-H725 PolarHBondContact O-NE2 3.32Å; E667-H725 VanDerWaalsContact O-NE2 3.17Å; T722-H725 VanDerWaalsContact O-CB 3.32Å; T722-H725 WeakPolarHBondContact O-CB 3.14Å; T722-H725 PolarHBondContact O-N 3.25Å; T722-H725 WeakPolarHBondContact OG1-CB 3.21Å; T722-H725 PolarHBondContact OG1-N 3.1Å; L723-H725 VanDerWaalsContact C-N 3.29Å; L723-H725 PolarHBondContact O-N 3Å; H725-R728 PolarHBondContact O-N 3.32Å; H725-L729 WeakPolarHBondContact O-CG 3.41Å; H725-L729 PolarHBondContact O-N 3.42Å
726	E	78.7	Confident	72.7	Confident	9 Å²	9	58.3 Å²	58.3	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-45.9	176.9	-169.1	76.1	165.8	0	0	111.5	Y676 Y678 S679 T722 L723 R728 L729 L730	Y676-E726 PolarHBondContact OH-OE1 3.2Å; Y678-E726 WeakPolarHBondContact CA-OE1 3.34Å; Y678-E726 WeakPolarHBondContact CB-OE1 3.24Å; S679-E726 PolarHBondContact N-OE1 3.1Å; S679-E726 VanDerWaalsContact N-OE1 3.1Å; T722-E726 PolarHBondContact O-N 3Å; L723-E726 PolarHBondContact O-N 3.38Å; E726-R728 VanDerWaalsContact C-N 3.27Å; E726-R728 PolarHBondContact O-N 2.81Å; E726-L729 PolarHBondContact O-N 3.23Å; E726-L729 VanDerWaalsContact O-N 3.13Å; E726-L730 HydrophobicContact CG-CD1 4.34Å; E726-L730 WeakPolarHBondContact O-CG 3.42Å; E726-L730 PolarHBondContact O-N 2.88Å
727	A	82.8	Confident	75.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-55.4	-44	175.8	0	0	0	0	0	111.6	L723 E724 L730 V731 A858 L872 V957	L723-A727 WeakPolarHBondContact O-CB 3.15Å; L723-A727 PolarHBondContact O-N 2.99Å; E724-A727 PolarHBondContact O-N 2.7Å; A727-L730 PolarHBondContact O-N 3.36Å; A727-V731 WeakPolarHBondContact O-CG2 3.2Å; A727-V731 PolarHBondContact O-N 3.15Å; A727-A858 HydrophobicContact CB-CB 4.04Å; A727-L872 HydrophobicContact CB-CD1 3.74Å; A727-L872 HydrophobicContact CB-CD2 4.07Å; A727-V957 HydrophobicContact CB-CG2 3.61Å
728	R	86.2	Confident	78.2	Confident	64 Å²	64	49.1 Å²	49.1	24%	0.242	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-40.3	177.3	-72.9	168.6	64.6	119.1	8.7	112.9	A648 I650 E724 H725 E726 T732 F955	A648-R728 PolarHBondContact O-NH2 3.21Å; I650-R728 HydrophobicContact CD1-CB 4.35Å; E724-R728 WeakPolarHBondContact O-CB 3.22Å; E724-R728 WeakPolarHBondContact O-CD 3.24Å; E724-R728 WeakPolarHBondContact O-CG 3.04Å; E724-R728 PolarHBondContact O-N 2.97Å; H725-R728 PolarHBondContact O-N 3.32Å; E726-R728 VanDerWaalsContact C-N 3.27Å; E726-R728 PolarHBondContact O-N 2.81Å; R728-T732 WeakPolarHBondContact O-CB 3.46Å; R728-T732 PolarHBondContact O-N 2.95Å; R728-T732 PolarHBondContact O-OG1 3.38Å; R728-F955 HydrophobicContact CB-CD1 4.21Å; R728-F955 HydrophobicContact CG-CB 4.21Å; R728-F955 HydrophobicContact CG-CD1 4.09Å
729	L	87.7	Confident	80.6	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-43.3	175.5	-69.2	169.1	0	0	0	111.5	E667 A668 Y676 H725 E726 T732 V733	E667-L729 HydrophobicContact CB-CD2 4Å; A668-L729 HydrophobicContact CB-CD1 3.68Å; A668-L729 HydrophobicContact CB-CD2 4.06Å; Y676-L729 HydrophobicContact CD2-CD1 4.07Å; Y676-L729 HydrophobicContact CE1-CB 4.16Å; Y676-L729 HydrophobicContact CE2-CB 3.93Å; Y676-L729 HydrophobicContact CE2-CD1 3.51Å; Y676-L729 HydrophobicContact CE2-CG 4.31Å; Y676-L729 WeakPolarHBondContact OH-CB 3.46Å; H725-L729 WeakPolarHBondContact O-CG 3.41Å; H725-L729 PolarHBondContact O-N 3.42Å; E726-L729 PolarHBondContact O-N 3.23Å; E726-L729 VanDerWaalsContact O-N 3.13Å; L729-T732 WeakPolarHBondContact O-CB 3.4Å; L729-T732 PolarHBondContact O-N 3.22Å; L729-V733 WeakPolarHBondContact O-CG2 3.29Å; L729-V733 PolarHBondContact O-N 2.81Å
730	L	89	Confident	83.1	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-44.7	177	-73.4	173.6	0	0	0	112.4	V574 Y678 L682 E726 A727 T732 V733 A734 L870 L872	V574-L730 HydrophobicContact CG2-CD1 4.45Å; V574-L730 HydrophobicContact CG2-CD2 3.76Å; Y678-L730 HydrophobicContact CD1-CD2 4.31Å; L682-L730 HydrophobicContact CD1-CD1 4.35Å; L682-L730 HydrophobicContact CD2-CD1 4.22Å; E726-L730 HydrophobicContact CG-CD1 4.34Å; E726-L730 WeakPolarHBondContact O-CG 3.42Å; E726-L730 PolarHBondContact O-N 2.88Å; A727-L730 PolarHBondContact O-N 3.36Å; L730-T732 VanDerWaalsContact C-N 3.33Å; L730-T732 PolarHBondContact O-N 3.39Å; L730-V733 PolarHBondContact O-N 3.1Å; L730-A734 WeakPolarHBondContact O-CB 3.45Å; L730-A734 PolarHBondContact O-N 2.87Å; L730-L870 HydrophobicContact CB-CD2 3.77Å; L730-L872 HydrophobicContact CD1-CD2 3.9Å
731	V	91.1	Very high	85.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-41.7	173.5	174.4	0	0	0	0	110.9	A727 V733 A734 L735 A858 T860 L870 F955	A727-V731 WeakPolarHBondContact O-CG2 3.2Å; A727-V731 PolarHBondContact O-N 3.15Å; V731-V733 PolarHBondContact O-N 3.5Å; V731-A734 PolarHBondContact O-N 3.25Å; V731-L735 HydrophobicContact CG1-CD1 3.97Å; V731-L735 HydrophobicContact CG1-CG 4.21Å; V731-L735 WeakPolarHBondContact O-CB 3.44Å; V731-L735 VanDerWaalsContact O-CG 3.3Å; V731-L735 WeakPolarHBondContact O-CG 3.33Å; V731-L735 PolarHBondContact O-N 3.12Å; V731-A858 HydrophobicContact CG2-CB 3.36Å; V731-T860 HydrophobicContact CG1-CG2 4.08Å; V731-T860 HydrophobicContact CG2-CG2 3.93Å; V731-L870 HydrophobicContact CG2-CD2 4.3Å; V731-F955 HydrophobicContact CB-CD1 3.83Å; V731-F955 HydrophobicContact CB-CE1 3.56Å; V731-F955 HydrophobicContact CB-CZ 4.5Å; V731-F955 HydrophobicContact CG1-CD1 3.75Å; V731-F955 HydrophobicContact CG1-CE1 3.31Å; V731-F955 HydrophobicContact CG1-CZ 3.82Å
732	T	92.7	Very high	87.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-48.9	177.4	-62.4	0	0	0	0	111.4	L645 I650 I652 R728 L729 L730 A734 L735 L736	L645-T732 HydrophobicContact CD1-CG2 4.02Å; L645-T732 HydrophobicContact CD2-CG2 3.83Å; I650-T732 VanDerWaalsContact CD1-OG1 3.27Å; I650-T732 WeakPolarHBondContact CD1-OG1 3.47Å; I650-T732 HydrophobicContact CG2-CG2 4.29Å; I652-T732 HydrophobicContact CD1-CG2 4.38Å; I652-T732 HydrophobicContact CG1-CG2 4.36Å; R728-T732 WeakPolarHBondContact O-CB 3.46Å; R728-T732 PolarHBondContact O-N 2.95Å; R728-T732 PolarHBondContact O-OG1 3.38Å; L729-T732 WeakPolarHBondContact O-CB 3.4Å; L729-T732 PolarHBondContact O-N 3.22Å; L730-T732 VanDerWaalsContact C-N 3.33Å; L730-T732 PolarHBondContact O-N 3.39Å; T732-A734 PolarHBondContact O-N 3.41Å; T732-L735 PolarHBondContact O-N 2.81Å; T732-L736 HydrophobicContact CG2-CD1 3.91Å; T732-L736 WeakPolarHBondContact O-CB 3.35Å; T732-L736 WeakPolarHBondContact O-CG 3.37Å; T732-L736 PolarHBondContact O-N 2.94Å
733	V	92.8	Very high	88.5	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-44.5	176.5	171.9	0	0	0	0	110.6	L571 D572 Y676 L729 L730 V731 L735 L736 T737	L571-V733 HydrophobicContact CB-CG1 4.12Å; L571-V733 HydrophobicContact CD2-CG1 4.3Å; D572-V733 WeakPolarHBondContact O-CG1 3.07Å; Y676-V733 HydrophobicContact CD1-CG2 3.9Å; Y676-V733 HydrophobicContact CE1-CG2 3.93Å; L729-V733 WeakPolarHBondContact O-CG2 3.29Å; L729-V733 PolarHBondContact O-N 2.81Å; L730-V733 PolarHBondContact O-N 3.1Å; V731-V733 PolarHBondContact O-N 3.5Å; V733-L735 VanDerWaalsContact C-N 3.35Å; V733-L735 PolarHBondContact O-N 3.02Å; V733-L736 PolarHBondContact O-N 2.95Å; V733-T737 WeakPolarHBondContact O-CB 3.37Å; V733-T737 PolarHBondContact O-N 3.13Å; V733-T737 PolarHBondContact O-OG1 2.94Å
734	A	92.5	Very high	89.7	Confident	10 Å²	10	32.9 Å²	32.9	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-41.4	178.1	0	0	0	0	0	112.6	L730 V731 T732 K738	L730-A734 WeakPolarHBondContact O-CB 3.45Å; L730-A734 PolarHBondContact O-N 2.87Å; V731-A734 PolarHBondContact O-N 3.25Å; T732-A734 PolarHBondContact O-N 3.41Å; A734-K738 WeakPolarHBondContact O-CG 3.29Å; A734-K738 PolarHBondContact O-N 2.91Å
735	L	93.5	Very high	90.8	Very high	23 Å²	23	28.1 Å²	28.1	12%	0.12	14%	0.143	C	C	.	.	H	α-helix	trans	-67.9	-43.6	176.8	-69.4	177	0	0	0	111.9	V641 L645 V731 T732 V733 K738 F955	V641-L735 HydrophobicContact CG1-CB 3.9Å; L645-L735 HydrophobicContact CD2-CD1 4.43Å; V731-L735 HydrophobicContact CG1-CD1 3.97Å; V731-L735 HydrophobicContact CG1-CG 4.21Å; V731-L735 WeakPolarHBondContact O-CB 3.44Å; V731-L735 VanDerWaalsContact O-CG 3.3Å; V731-L735 WeakPolarHBondContact O-CG 3.33Å; V731-L735 PolarHBondContact O-N 3.12Å; T732-L735 PolarHBondContact O-N 2.81Å; V733-L735 VanDerWaalsContact C-N 3.35Å; V733-L735 PolarHBondContact O-N 3.02Å; L735-K738 PolarHBondContact O-N 2.96Å; L735-F955 HydrophobicContact CD1-CZ 3.99Å
736	L	95.2	Very high	91.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.6	-43.3	177.3	-71	169.9	0	0	0	111.6	L571 L638 V641 L645 I652 I660 I664 T732 V733 K738 T739	L571-L736 HydrophobicContact CD1-CB 4.16Å; L571-L736 HydrophobicContact CD2-CB 4.44Å; L638-L736 HydrophobicContact CD2-CD2 4.26Å; V641-L736 HydrophobicContact CG1-CD2 4.07Å; L645-L736 HydrophobicContact CD1-CD2 4.28Å; L645-L736 HydrophobicContact CD1-CG 4.39Å; I652-L736 HydrophobicContact CG2-CD1 4.4Å; I652-L736 HydrophobicContact CG2-CD2 4.36Å; I660-L736 HydrophobicContact CG2-CD1 3.93Å; I664-L736 HydrophobicContact CD1-CD1 3.76Å; I664-L736 HydrophobicContact CG1-CD1 4.12Å; T732-L736 HydrophobicContact CG2-CD1 3.91Å; T732-L736 WeakPolarHBondContact O-CB 3.35Å; T732-L736 WeakPolarHBondContact O-CG 3.37Å; T732-L736 PolarHBondContact O-N 2.94Å; V733-L736 PolarHBondContact O-N 2.95Å; L736-K738 VanDerWaalsContact C-N 3.26Å; L736-K738 PolarHBondContact O-N 3.39Å; L736-T739 WeakPolarHBondContact O-CB 3.26Å; L736-T739 PolarHBondContact O-N 2.81Å; L736-T739 PolarHBondContact O-OG1 3.42Å
737	T	94.1	Very high	92.3	Very high	32 Å²	32	25.3 Å²	25.3	20%	0.196	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-37.2	177.8	-63.5	0	0	0	0	112.1	L571 Q573 V733 T739 M740	L571-T737 WeakPolarHBondContact CB-OG1 3.44Å; Q573-T737 HydrophobicContact CG-CG2 4.27Å; V733-T737 WeakPolarHBondContact O-CB 3.37Å; V733-T737 PolarHBondContact O-N 3.13Å; V733-T737 PolarHBondContact O-OG1 2.94Å; T737-T739 PolarHBondContact O-N 3.18Å; T737-M740 WeakPolarHBondContact O-CB 2.85Å; T737-M740 PolarHBondContact O-N 3.22Å; T737-M740 VanDerWaalsContact O-N 3.09Å
738	K	92.2	Very high	92.9	Very high	118 Å²	118	26.9 Å²	26.9	51%	0.513	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.9	176.1	-74	175.1	-178.5	178.9	0	114	A734 L735 L736	A734-K738 WeakPolarHBondContact O-CG 3.29Å; A734-K738 PolarHBondContact O-N 2.91Å; L735-K738 PolarHBondContact O-N 2.96Å; L736-K738 VanDerWaalsContact C-N 3.26Å; L736-K738 PolarHBondContact O-N 3.39Å
739	T	92.6	Very high	93.2	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.025	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.4	176.9	73	0	0	0	0	113.4	P633 Q637 L638 V641 L736 T737	P633-T739 WeakPolarHBondContact CB-O 3.48Å; Q637-T739 HydrophobicContact CB-CG2 4.02Å; L638-T739 HydrophobicContact CD2-CG2 4.37Å; L638-T739 WeakPolarHBondContact CD2-OG1 3.4Å; V641-T739 HydrophobicContact CB-CG2 4.17Å; V641-T739 HydrophobicContact CG2-CG2 3.59Å; L736-T739 WeakPolarHBondContact O-CB 3.26Å; L736-T739 PolarHBondContact O-N 2.81Å; L736-T739 PolarHBondContact O-OG1 3.42Å; T737-T739 PolarHBondContact O-N 3.18Å
740	M	93.1	Very high	93.2	Very high	32 Å²	32	28.7 Å²	28.7	16%	0.158	16%	0.161	C	C	.	.	S	Bend	trans	-79.3	145.8	-176.9	-61.2	-63.4	153.5	0	0	111.3	L569 L571 P633 L638 I660 T737 Y760	L569-M740 HydrophobicContact CD2-CE 4.03Å; L569-M740 HydrophobicContact CD2-SD 4.47Å; L571-M740 HydrophobicContact CD1-CE 4.09Å; L571-M740 HydrophobicContact CD1-CG 3.97Å; P633-M740 HydrophobicContact CB-CE 4.42Å; P633-M740 HydrophobicContact CB-SD 3.89Å; P633-M740 HydrophobicContact CG-CE 4.22Å; P633-M740 HydrophobicContact CG-SD 3.88Å; L638-M740 HydrophobicContact CD2-CE 4.16Å; I660-M740 HydrophobicContact CD1-CE 4.01Å; T737-M740 WeakPolarHBondContact O-CB 2.85Å; T737-M740 PolarHBondContact O-N 3.22Å; T737-M740 VanDerWaalsContact O-N 3.09Å; M740-Y760 HydrophobicContact SD-CD1 4.47Å; M740-Y760 HydrophobicContact SD-CE1 4.08Å
741	N	91.2	Very high	93.1	Very high	68 Å²	68	29.9 Å²	29.9	36%	0.364	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-77.2	157.1	170.9	-81.2	-52.9	0	0	0	110.8	H630 P631 S632	H630-N741 PolarHBondContact CD2-O 2.98Å; H630-N741 PolarHBondContact NE2-O 2.82Å; P631-N741 HydrophobicContact CB-CB 4.29Å; S632-N741 PolarHBondContact O-ND2 2.98Å
742	L	92.4	Very high	92.6	Very high	91 Å²	91	31.6 Å²	31.6	48%	0.476	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-73.7	144.1	167.7	-64.9	177.1	0	0	0	110.1	L829	L742-L829 HydrophobicContact CD1-CD1 4Å
743	A	95.5	Very high	91.9	Very high	22 Å²	22	36.8 Å²	36.8	18%	0.182	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-76.1	133.1	169.7	0	0	0	0	0	110.5	R628 R629 H630	R628-A743 PolarHBondContact NH2-O 3.38Å; R629-A743 CarbonylContact O-C 3.55Å; R629-A743 WeakPolarHBondContact O-CA 3.45Å; R629-A743 WeakPolarHBondContact O-CB 3.46Å; H630-A743 HydrophobicContact CB-CB 3.95Å
744	V	95.6	Very high	91.1	Very high	34 Å²	34	43.4 Å²	43.4	21%	0.206	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.8	-169.5	-66.3	0	0	0	0	111.6	R628 R629 N825	R628-V744 CarbonylContact C-O 3.59Å; R628-V744 WeakPolarHBondContact CA-O 3.36Å; R628-V744 WeakPolarHBondContact CG-O 3.34Å; R629-V744 HydrophobicContact CG-CG2 3.91Å; R629-V744 PolarHBondContact N-O 3.14Å; R629-V744 PolarHBondContact O-N 2.86Å; V744-N825 WeakPolarHBondContact CA-OD1 3.5Å
745	Y	98	Very high	90.8	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	148.5	166.2	-57.3	-71	0	0	0	110.5	F626 L627 R628 H769 A778 C824 N825	F626-Y745 AromaticContact CE1-CD1 3.77Å; F626-Y745 HydrophobicContact CE1-CD1 3.77Å; F626-Y745 AromaticContact CE1-CG 3.95Å; F626-Y745 HydrophobicContact CE1-CG 3.95Å; F626-Y745 HydrophobicContact CZ-CG 4.28Å; L627-Y745 CarbonylContact O-C 3.2Å; L627-Y745 VanDerWaalsContact O-CA 3.27Å; L627-Y745 WeakPolarHBondContact O-CA 3.37Å; R628-Y745 HydrophobicContact CB-CD1 3.96Å; R628-Y745 HydrophobicContact CB-CE1 4.24Å; R628-Y745 HydrophobicContact CG-CD1 4.03Å; R628-Y745 HydrophobicContact CG-CE1 4.18Å; Y745-H769 HydrophobicContact CE1-CB 4.29Å; Y745-H769 AromaticContact CE1-ND1 3.6Å; Y745-H769 AromaticContact CZ-ND1 3.59Å; Y745-H769 PolarHBondContact OH-ND1 3.16Å; Y745-A778 HydrophobicContact CD1-CB 3.97Å; Y745-A778 HydrophobicContact CE1-CB 3.48Å; Y745-A778 VanDerWaalsContact CE1-CB 3.48Å; Y745-A778 HydrophobicContact CE2-CB 4.1Å; Y745-A778 HydrophobicContact CG-CB 4.47Å; Y745-C824 HydrophobicContact CD2-CB 3.55Å; Y745-C824 HydrophobicContact CE2-CB 3.84Å; Y745-C824 HydrophobicContact CG-CB 4.39Å; Y745-N825 WeakPolarHBondContact CD2-OD1 3.39Å; Y745-N825 PolarHBondContact N-OD1 2.79Å; Y745-N825 PolarHBondContact O-ND2 3.46Å
746	F	95.1	Very high	90.6	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	160.4	177.5	72	-71.6	0	0	0	110.9	L627 R629 L748 L751 P757	L627-F746 HydrophobicContact CB-CD1 4.27Å; L627-F746 HydrophobicContact CB-CE1 3.59Å; L627-F746 HydrophobicContact CB-CZ 3.75Å; L627-F746 HydrophobicContact CD1-CZ 4.28Å; L627-F746 PolarHBondContact N-O 3.01Å; L627-F746 WeakPolarHBondContact O-CD1 3.47Å; L627-F746 PolarHBondContact O-N 2.78Å; R629-F746 HydrophobicContact CB-CD1 4.06Å; R629-F746 HydrophobicContact CB-CE1 3.57Å; R629-F746 HydrophobicContact CB-CZ 4.29Å; R629-F746 HydrophobicContact CG-CD1 3.65Å; R629-F746 HydrophobicContact CG-CE1 3.68Å; R629-F746 HydrophobicContact CG-CG 4.44Å; R629-F746 HydrophobicContact CG-CZ 4.47Å; F746-L748 HydrophobicContact CE2-CD1 4.08Å; F746-L751 HydrophobicContact CD2-CB 3.94Å; F746-L751 HydrophobicContact CD2-CD1 4.07Å; F746-L751 HydrophobicContact CD2-CD2 4.32Å; F746-L751 HydrophobicContact CD2-CG 4.33Å; F746-L751 HydrophobicContact CE2-CB 3.92Å; F746-L751 HydrophobicContact CE2-CD1 4.27Å; F746-L751 HydrophobicContact CE2-CD2 3.7Å; F746-L751 HydrophobicContact CE2-CG 4.17Å; F746-L751 HydrophobicContact CZ-CD2 4.33Å; F746-P757 HydrophobicContact CE2-CB 4.32Å; F746-P757 HydrophobicContact CZ-CB 3.82Å
747	C	95.5	Very high	90.6	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.7	168.6	-178.5	0	0	0	0	110	G749 L750 L751 L817 Q818	C747-G749 PolarHBondContact O-N 3.29Å; C747-L750 PolarHBondContact O-N 3.41Å; C747-L751 PolarHBondContact O-N 3Å; C747-L817 HydrophobicContact CB-CB 4.17Å; C747-Q818 HydrophobicContact CB-CB 4.18Å
748	L	95.7	Very high	90.8	Very high	33 Å²	33	47.3 Å²	47.3	17%	0.173	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-59	-44.2	-174.1	-178	59.9	0	0	0	113.3	A618 P622 A625 L627 F746 L750 L751 P757	A618-L748 HydrophobicContact CB-CD2 3.75Å; P622-L748 WeakPolarHBondContact O-CG 3.48Å; A625-L748 HydrophobicContact CB-CB 3.97Å; A625-L748 HydrophobicContact CB-CD2 4.14Å; A625-L748 PolarHBondContact O-N 3.45Å; L627-L748 HydrophobicContact CD1-CB 4.17Å; L627-L748 HydrophobicContact CD1-CD1 4.22Å; L627-L748 HydrophobicContact CD1-CD2 4.08Å; L627-L748 HydrophobicContact CD1-CG 4.39Å; F746-L748 HydrophobicContact CE2-CD1 4.08Å; L748-L750 PolarHBondContact O-N 3.49Å; L748-L751 WeakPolarHBondContact O-CB 3.38Å; L748-L751 PolarHBondContact O-N 3.19Å; L748-L751 VanDerWaalsContact O-N 3.12Å; L748-P757 HydrophobicContact CD1-CB 4.24Å
749	G	91.4	Very high	91	Very high	38 Å²	38	42.4 Å²	42.4	39%	0.392	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-70.8	-13	-178	0	0	0	0	0	115.2	P622 D623 C747	P622-G749 PolarHBondContact O-N 2.96Å; D623-G749 VanDerWaalsContact O-CA 3.26Å; D623-G749 WeakPolarHBondContact O-CA 3.35Å; D623-G749 PolarHBondContact O-N 3.03Å; C747-G749 PolarHBondContact O-N 3.29Å
750	L	87.5	Confident	91.2	Very high	69 Å²	69	44 Å²	44	36%	0.361	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-103	5.6	173.5	-64.9	-172	0	0	0	112.9	C747 L748 P752 P814 V815 Q818	C747-L750 PolarHBondContact O-N 3.41Å; L748-L750 PolarHBondContact O-N 3.49Å; L750-P752 WeakPolarHBondContact O-CD 3.4Å; L750-P814 VanDerWaalsContact CD1-C 3.47Å; L750-P814 HydrophobicContact CD1-CB 4.05Å; L750-P814 VanDerWaalsContact CD1-O 3.28Å; L750-P814 WeakPolarHBondContact CD1-O 3.18Å; L750-P814 HydrophobicContact CD2-CB 4.17Å; L750-P814 HydrophobicContact CG-CB 3.78Å; L750-V815 HydrophobicContact CD1-CG2 4.16Å; L750-Q818 HydrophobicContact CD1-CB 3.8Å; L750-Q818 HydrophobicContact CD1-CG 4.34Å
751	L	87.6	Confident	91.4	Very high	33 Å²	33	43.4 Å²	43.4	17%	0.173	26%	0.257	C	S	.	.	S	Bend	trans	-78.6	122.5	172.2	-172.3	72.2	0	0	0	109.7	F746 C747 L748 L755 P757	F746-L751 HydrophobicContact CD2-CB 3.94Å; F746-L751 HydrophobicContact CD2-CD1 4.07Å; F746-L751 HydrophobicContact CD2-CD2 4.32Å; F746-L751 HydrophobicContact CD2-CG 4.33Å; F746-L751 HydrophobicContact CE2-CB 3.92Å; F746-L751 HydrophobicContact CE2-CD1 4.27Å; F746-L751 HydrophobicContact CE2-CD2 3.7Å; F746-L751 HydrophobicContact CE2-CG 4.17Å; F746-L751 HydrophobicContact CZ-CD2 4.33Å; C747-L751 PolarHBondContact O-N 3Å; L748-L751 WeakPolarHBondContact O-CB 3.38Å; L748-L751 PolarHBondContact O-N 3.19Å; L748-L751 VanDerWaalsContact O-N 3.12Å; L751-L755 HydrophobicContact CD1-CB 3.99Å; L751-L755 HydrophobicContact CD1-CD1 4.37Å; L751-L755 WeakPolarHBondContact CD2-O 3.39Å; L751-L755 HydrophobicContact CG-CB 4.2Å; L751-P757 HydrophobicContact CD2-CB 3.81Å; L751-P757 HydrophobicContact CD2-CG 4.5Å
752	P	80.5	Confident	91.7	Very high	36 Å²	36	41.1 Å²	41.1	23%	0.234	25%	0.245	C	C	.	.			trans	-58.5	144.7	175.2	-29.6	40	0	0	0	112.6	P89 L750 E754 L755	P89-P752 WeakPolarHBondContact O-CG 3.36Å; L750-P752 WeakPolarHBondContact O-CD 3.4Å; P752-E754 HydrophobicContact CB-CG 4.45Å; P752-E754 PolarHBondContact O-N 3.18Å; P752-E754 VanDerWaalsContact O-N 3.12Å; P752-L755 HydrophobicContact CB-CG 4.46Å; P752-L755 HydrophobicContact CG-CD1 4.44Å; P752-L755 PolarHBondContact O-N 2.83Å
753	S	78	Confident	91.9	Very high	110 Å²	110	39.6 Å²	39.6	77%	0.769	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.2	-171.4	75.7	0	0	0	0	114	L755	S753-L755 VanDerWaalsContact C-N 3.31Å
754	E	75.5	Confident	92	Very high	143 Å²	143	39.5 Å²	39.5	67%	0.668	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.4	176.7	4	-63.6	130.7	0	0	112.6	P752	P752-E754 HydrophobicContact CB-CG 4.45Å; P752-E754 PolarHBondContact O-N 3.18Å; P752-E754 VanDerWaalsContact O-N 3.12Å
755	L	85.8	Confident	92	Very high	38 Å²	38	43.2 Å²	43.2	20%	0.199	25%	0.248	C	C	.	.	S	Bend	trans	-95.3	133.2	-174.6	-62.8	-173.9	0	0	0	111.4	P89 A90 L751 P752 S753	P89-L755 WeakPolarHBondContact O-CD1 3.4Å; A90-L755 WeakPolarHBondContact O-CD2 3.3Å; L751-L755 HydrophobicContact CD1-CB 3.99Å; L751-L755 HydrophobicContact CD1-CD1 4.37Å; L751-L755 WeakPolarHBondContact CD2-O 3.39Å; L751-L755 HydrophobicContact CG-CB 4.2Å; P752-L755 HydrophobicContact CB-CG 4.46Å; P752-L755 HydrophobicContact CG-CD1 4.44Å; P752-L755 PolarHBondContact O-N 2.83Å; S753-L755 VanDerWaalsContact C-N 3.31Å
756	S	90.6	Very high	92.1	Very high	58 Å²	58	44.7 Å²	44.7	41%	0.406	26%	0.257	S	S	.	.			trans	-76.1	129.8	178.2	-178.1	0	0	0	0	112	R629 A758	R629-S756 PolarHBondContact NE-O 3.31Å; R629-S756 PolarHBondContact NH2-O 3.34Å; S756-A758 PolarHBondContact O-N 3.38Å; S756-A758 WeakPolarHBondContact OG-CB 3.34Å; S756-A758 PolarHBondContact OG-N 2.85Å
757	P	95.3	Very high	92.2	Very high	34 Å²	34	45 Å²	45	22%	0.221	26%	0.258	C	S	.	.			trans	-72.3	-5.4	171.5	31.6	-36.1	0	0	0	112.9	R629 F746 L748 L751 Q765 L766	R629-P757 WeakPolarHBondContact CB-O 3.49Å; F746-P757 HydrophobicContact CE2-CB 4.32Å; F746-P757 HydrophobicContact CZ-CB 3.82Å; L748-P757 HydrophobicContact CD1-CB 4.24Å; L751-P757 HydrophobicContact CD2-CB 3.81Å; L751-P757 HydrophobicContact CD2-CG 4.5Å; P757-Q765 CarbonylContact C-O 3.58Å; P757-L766 HydrophobicContact CB-CD2 4.34Å; P757-L766 HydrophobicContact CG-CD2 4.38Å
758	A	96.8	Very high	92.4	Very high	17 Å²	17	45 Å²	45	14%	0.14	26%	0.258	C	S	.	.	S	Bend	trans	-65.5	153.6	-172.8	0	0	0	0	0	113.3	H630 S756 M764 Q765	H630-A758 PolarHBondContact N-O 3.36Å; S756-A758 PolarHBondContact O-N 3.38Å; S756-A758 WeakPolarHBondContact OG-CB 3.34Å; S756-A758 PolarHBondContact OG-N 2.85Å; A758-M764 CarbonylContact C-O 3.57Å; A758-M764 VanDerWaalsContact CA-O 3.26Å; A758-M764 WeakPolarHBondContact CA-O 3.4Å; A758-M764 WeakPolarHBondContact CB-O 3.41Å; A758-Q765 WeakPolarHBondContact CA-O 3.35Å; A758-Q765 PolarHBondContact N-O 3.21Å
759	H	97.9	Very high	92.5	Very high	15 Å²	15	44 Å²	44	7%	0.069	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-92.5	100	166.9	-165.1	-55	0	0	0	109.5	H630 A761 L762 N763 M764 Y767	H630-H759 HydrophobicContact CB-CB 4.41Å; H630-H759 WeakPolarHBondContact CB-CE1 3.43Å; H630-H759 VanDerWaalsContact CB-ND1 3.33Å; H630-H759 WeakPolarHBondContact CB-ND1 3.44Å; H630-H759 AromaticContact CG-CE1 3.81Å; H759-A761 PolarHBondContact O-N 2.95Å; H759-L762 HydrophobicContact CB-CB 4.23Å; H759-L762 PolarHBondContact ND1-N 3.07Å; H759-L762 PolarHBondContact O-N 3.26Å; H759-N763 PolarHBondContact O-N 3.5Å; H759-M764 PolarHBondContact N-O 2.87Å; H759-M764 PolarHBondContact O-N 3.24Å; H759-Y767 AromaticContact CD2-CD1 3.75Å
760	Y	96.9	Very high	92.9	Very high	38 Å²	38	42.2 Å²	42.2	15%	0.149	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-46.2	-173.8	173.8	-94.1	0	0	0	113.7	L569 H630 P633 A657 M740 N763	L569-Y760 HydrophobicContact CD2-CE1 4.36Å; H630-Y760 AromaticContact CE1-CD1 4Å; H630-Y760 AromaticContact ND1-CD1 3.95Å; H630-Y760 WeakPolarHBondContact O-CB 3.35Å; H630-Y760 PolarHBondContact O-N 3.44Å; P633-Y760 VanDerWaalsContact CD-CE1 3.48Å; P633-Y760 HydrophobicContact CG-CE1 3.96Å; A657-Y760 HydrophobicContact CB-CD1 4.08Å; A657-Y760 HydrophobicContact CB-CD2 4.48Å; A657-Y760 HydrophobicContact CB-CE1 3.72Å; A657-Y760 HydrophobicContact CB-CE2 4.15Å; A657-Y760 HydrophobicContact CB-CG 4.45Å; A657-Y760 VanDerWaalsContact CB-O 3.31Å; A657-Y760 WeakPolarHBondContact CB-O 3.38Å; A657-Y760 PolarHBondContact N-OH 3.43Å; A657-Y760 VanDerWaalsContact N-OH 3.09Å; M740-Y760 HydrophobicContact SD-CD1 4.47Å; M740-Y760 HydrophobicContact SD-CE1 4.08Å; Y760-N763 PolarHBondContact O-N 2.94Å
761	A	96.5	Very high	93.4	Very high	19 Å²	19	39.2 Å²	39.2	16%	0.157	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-44.7	-176.8	0	0	0	0	0	112.8	A568 L569 H630 H759 N763	A568-A761 CarbonylContact C-O 3.52Å; A568-A761 VanDerWaalsContact CA-O 3.28Å; A568-A761 WeakPolarHBondContact CA-O 3.39Å; L569-A761 PolarHBondContact N-O 3.12Å; H630-A761 PolarHBondContact ND1-N 3.14Å; H759-A761 PolarHBondContact O-N 2.95Å; A761-N763 PolarHBondContact O-N 3.16Å
762	L	96.7	Very high	93.9	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.11	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.7	176	-64.2	177.1	0	0	0	113.8	L607 H759 M764 Y767	L607-L762 HydrophobicContact CD1-CD2 4.11Å; L607-L762 HydrophobicContact CD2-CD1 3.69Å; L607-L762 HydrophobicContact CD2-CD2 3.91Å; L607-L762 HydrophobicContact CD2-CG 4.44Å; H759-L762 HydrophobicContact CB-CB 4.23Å; H759-L762 PolarHBondContact ND1-N 3.07Å; H759-L762 PolarHBondContact O-N 3.26Å; L762-M764 VanDerWaalsContact C-N 3.29Å; L762-M764 HydrophobicContact CB-CB 4.48Å; L762-M764 HydrophobicContact CB-CE 4.39Å; L762-M764 HydrophobicContact CB-CG 4Å; L762-M764 HydrophobicContact CB-SD 4.12Å; L762-M764 HydrophobicContact CD1-SD 4.34Å; L762-M764 PolarHBondContact O-N 2.68Å; L762-Y767 HydrophobicContact CD1-CD1 4.22Å; L762-Y767 HydrophobicContact CD1-CD2 3.94Å; L762-Y767 HydrophobicContact CD1-CE1 4.03Å; L762-Y767 HydrophobicContact CD1-CE2 3.73Å; L762-Y767 HydrophobicContact CD1-CG 4.18Å
763	N	96.8	Very high	94.8	Very high	59 Å²	59	36.1 Å²	36.1	32%	0.316	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	42.9	-174.2	-168.1	48.4	0	0	0	112.9	S566 A568 H759 Y760 A761	S566-N763 PolarHBondContact O-ND2 3.15Å; S566-N763 PolarHBondContact OG-ND2 2.83Å; A568-N763 HydrophobicContact CB-CB 4.21Å; H759-N763 PolarHBondContact O-N 3.5Å; Y760-N763 PolarHBondContact O-N 2.94Å; A761-N763 PolarHBondContact O-N 3.16Å
764	M	97.6	Very high	95.8	Very high	19 Å²	19	30.9 Å²	30.9	9%	0.094	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-115.2	135.9	179.8	-64.5	-179.1	-178.6	0	0	110.3	L607 K611 A758 H759 L762 Y767	L607-M764 HydrophobicContact CB-CE 4.2Å; L607-M764 HydrophobicContact CD2-CE 4.45Å; K611-M764 HydrophobicContact CB-SD 4.05Å; K611-M764 HydrophobicContact CD-CE 4.47Å; K611-M764 HydrophobicContact CD-SD 4.22Å; K611-M764 HydrophobicContact CG-SD 4.26Å; A758-M764 CarbonylContact C-O 3.57Å; A758-M764 VanDerWaalsContact CA-O 3.26Å; A758-M764 WeakPolarHBondContact CA-O 3.4Å; A758-M764 WeakPolarHBondContact CB-O 3.41Å; H759-M764 PolarHBondContact N-O 2.87Å; H759-M764 PolarHBondContact O-N 3.24Å; L762-M764 VanDerWaalsContact C-N 3.29Å; L762-M764 HydrophobicContact CB-CB 4.48Å; L762-M764 HydrophobicContact CB-CE 4.39Å; L762-M764 HydrophobicContact CB-CG 4Å; L762-M764 HydrophobicContact CB-SD 4.12Å; L762-M764 HydrophobicContact CD1-SD 4.34Å; L762-M764 PolarHBondContact O-N 2.68Å; M764-Y767 HydrophobicContact SD-CD2 3.73Å; M764-Y767 HydrophobicContact SD-CE2 4.29Å
765	Q	97.1	Very high	96.8	Very high	112 Å²	112	27.4 Å²	27.4	52%	0.523	14%	0.144	S	C	.	.	S	Bend	trans	-71.3	-34.5	179.3	-65.8	-60.7	-31.5	0	0	112.7	P757 A758	P757-Q765 CarbonylContact C-O 3.58Å; A758-Q765 WeakPolarHBondContact CA-O 3.35Å; A758-Q765 PolarHBondContact N-O 3.21Å
766	L	98.4	Very high	97.4	Very high	38 Å²	38	26.5 Å²	26.5	20%	0.199	14%	0.138	C	C	.	.	S	Bend	trans	-135.4	135.7	178.9	-63.4	169.8	0	0	0	108.1	A614 E615 A618 L627 P757	A614-L766 HydrophobicContact CB-CB 4.09Å; E615-L766 HydrophobicContact CG-CB 4.44Å; E615-L766 HydrophobicContact CG-CD1 4.27Å; A618-L766 HydrophobicContact CB-CD1 3.52Å; A618-L766 HydrophobicContact CB-CD2 4.07Å; A618-L766 HydrophobicContact CB-CG 4.4Å; L627-L766 HydrophobicContact CD1-CD2 3.85Å; P757-L766 HydrophobicContact CB-CD2 4.34Å; P757-L766 HydrophobicContact CG-CD2 4.38Å
767	Y	98.7	Very high	97.8	Very high	16 Å²	16	24.1 Å²	24.1	6%	0.063	12%	0.12	C	C	.	.			trans	-150.9	148.7	179.3	-173.3	-104	0	0	0	109.4	L607 N610 A614 R628 H759 L762 M764 H769	L607-Y767 HydrophobicContact CD2-CE2 3.67Å; N610-Y767 HydrophobicContact CB-CD2 4.14Å; N610-Y767 HydrophobicContact CB-CE2 3.48Å; N610-Y767 VanDerWaalsContact CB-CE2 3.48Å; N610-Y767 PolarHBondContact ND2-OH 2.74Å; A614-Y767 VanDerWaalsContact CB-C 3.48Å; R628-Y767 HydrophobicContact CB-CD1 4.24Å; R628-Y767 PolarHBondContact N-O 3.03Å; R628-Y767 VanDerWaalsContact O-O 3.1Å; H759-Y767 AromaticContact CD2-CD1 3.75Å; L762-Y767 HydrophobicContact CD1-CD1 4.22Å; L762-Y767 HydrophobicContact CD1-CD2 3.94Å; L762-Y767 HydrophobicContact CD1-CE1 4.03Å; L762-Y767 HydrophobicContact CD1-CE2 3.73Å; L762-Y767 HydrophobicContact CD1-CG 4.18Å; M764-Y767 HydrophobicContact SD-CD2 3.73Å; M764-Y767 HydrophobicContact SD-CE2 4.29Å; Y767-H769 AromaticContact CE1-CD2 3.62Å; Y767-H769 AromaticContact CE1-NE2 3.81Å
768	T	98.8	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.			trans	-146	178.2	173.5	-162.3	0	0	0	0	109.4	N610 V613 A614 F626 V782	N610-T768 VanDerWaalsContact CB-O 3.28Å; N610-T768 WeakPolarHBondContact CB-O 3.4Å; V613-T768 HydrophobicContact CB-CG2 4.3Å; V613-T768 HydrophobicContact CG1-CG2 4.04Å; A614-T768 HydrophobicContact CB-CG2 3.97Å; F626-T768 PolarHBondContact O-OG1 3.44Å; T768-V782 HydrophobicContact CG2-CG1 3.9Å; T768-V782 HydrophobicContact CG2-CG2 4.34Å; T768-V782 VanDerWaalsContact OG1-CG2 3.31Å; T768-V782 WeakPolarHBondContact OG1-CG2 3.23Å
769	H	98.7	Very high	98.1	Very high	12 Å²	12	21.8 Å²	21.8	6%	0.056	10%	0.104	C	C	.	.			trans	-109.9	126.1	165.6	-71.2	169.7	0	0	0	109.6	R628 Y745 Y767 D779 V782	R628-H769 VanDerWaalsContact CD-CE1 3.43Å; R628-H769 WeakPolarHBondContact CD-CE1 3.49Å; R628-H769 WeakPolarHBondContact CD-NE2 3.42Å; R628-H769 VanDerWaalsContact CZ-CE1 3.41Å; R628-H769 PolarHBondContact NH1-CE1 2.96Å; R628-H769 PolarHBondContact NH1-NE2 3.35Å; Y745-H769 HydrophobicContact CE1-CB 4.29Å; Y745-H769 AromaticContact CE1-ND1 3.6Å; Y745-H769 AromaticContact CZ-ND1 3.59Å; Y745-H769 PolarHBondContact OH-ND1 3.16Å; Y767-H769 AromaticContact CE1-CD2 3.62Å; Y767-H769 AromaticContact CE1-NE2 3.81Å; H769-D779 VanDerWaalsContact CB-OD2 3.23Å; H769-D779 WeakPolarHBondContact CB-OD2 3.36Å; H769-D779 WeakPolarHBondContact O-CA 3.12Å; H769-V782 WeakPolarHBondContact O-CG2 3.24Å
770	F	98.7	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.			trans	-128.9	-26.7	179.3	170	-100.4	0	0	0	111.7	I430 F484 V486 N610 V613 D779 V782 H783 L786	I430-F770 HydrophobicContact CB-CE1 4.07Å; I430-F770 HydrophobicContact CB-CZ 4.48Å; I430-F770 HydrophobicContact CG1-CD1 3.84Å; I430-F770 HydrophobicContact CG1-CE1 3.44Å; I430-F770 VanDerWaalsContact CG1-CE1 3.44Å; I430-F770 HydrophobicContact CG1-CZ 4.3Å; I430-F770 WeakPolarHBondContact CG2-O 3.37Å; F484-F770 HydrophobicContact CB-CE2 4.49Å; F484-F770 HydrophobicContact CB-CZ 4.07Å; F484-F770 HydrophobicContact CD1-CE2 4.28Å; F484-F770 HydrophobicContact CD2-CE2 4.38Å; F484-F770 HydrophobicContact CD2-CZ 4.06Å; F484-F770 HydrophobicContact CG-CE2 4.12Å; F484-F770 AromaticContact CG-CZ 3.97Å; F484-F770 HydrophobicContact CG-CZ 3.97Å; V486-F770 HydrophobicContact CG2-CD1 4.22Å; V486-F770 HydrophobicContact CG2-CE1 3.66Å; V486-F770 HydrophobicContact CG2-CZ 4.27Å; N610-F770 WeakPolarHBondContact OD1-CB 3.43Å; N610-F770 PolarHBondContact OD1-N 3.45Å; V613-F770 HydrophobicContact CB-CB 4.35Å; V613-F770 HydrophobicContact CB-CG 4.4Å; V613-F770 HydrophobicContact CG1-CB 4.33Å; V613-F770 HydrophobicContact CG1-CD2 4.16Å; V613-F770 HydrophobicContact CG1-CG 4.38Å; V613-F770 HydrophobicContact CG2-CB 4.22Å; V613-F770 HydrophobicContact CG2-CD1 3.98Å; V613-F770 HydrophobicContact CG2-CD2 3.98Å; V613-F770 HydrophobicContact CG2-CE1 4.35Å; V613-F770 HydrophobicContact CG2-CE2 4.35Å; V613-F770 HydrophobicContact CG2-CG 3.79Å; F770-D779 WeakPolarHBondContact CA-OD1 3.31Å; F770-D779 PolarHBondContact N-OD1 3.45Å; F770-V782 HydrophobicContact CB-CG1 4.06Å; F770-V782 HydrophobicContact CD2-CG1 4.02Å; F770-H783 AromaticContact CD2-CD2 3.24Å; F770-H783 WeakPolarHBondContact CD2-CD2 3.49Å; F770-H783 AromaticContact CD2-NE2 3.42Å; F770-H783 WeakPolarHBondContact CD2-NE2 3.48Å; F770-H783 AromaticContact CE2-CD2 3.29Å; F770-H783 WeakPolarHBondContact CE2-CD2 3.26Å; F770-H783 AromaticContact CE2-NE2 3.32Å; F770-H783 VanDerWaalsContact CE2-NE2 3.32Å; F770-H783 WeakPolarHBondContact CE2-NE2 3.37Å; F770-H783 AromaticContact CZ-NE2 3.88Å; F770-H783 PolarHBondContact O-NE2 3.15Å; F770-L786 HydrophobicContact CD2-CD2 4.48Å; F770-L786 HydrophobicContact CE2-CD2 3.82Å; F770-L786 HydrophobicContact CZ-CD2 4.32Å
771	T	98.6	Very high	98.2	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.031	9%	0.093	C	C	.	.	S	Bend	trans	-91.6	7.4	-163	62.1	0	0	0	0	115.8	I430 M606 A609 N610 D779	I430-T771 HydrophobicContact CD1-CG2 3.83Å; I430-T771 HydrophobicContact CG1-CG2 4.27Å; M606-T771 HydrophobicContact CB-CG2 4.23Å; M606-T771 HydrophobicContact CG-CG2 4.49Å; M606-T771 VanDerWaalsContact SD-CB 3.53Å; M606-T771 HydrophobicContact SD-CG2 3.61Å; A609-T771 HydrophobicContact CB-CG2 3.85Å; N610-T771 PolarHBondContact ND2-OG1 2.84Å; N610-T771 WeakPolarHBondContact OD1-CG2 3.45Å; N610-T771 PolarHBondContact OD1-N 3.13Å; T771-D779 PolarHBondContact N-OD1 3.02Å; T771-D779 VanDerWaalsContact N-OD1 3.11Å
772	S	98.4	Very high	98.3	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.028	9%	0.086	C	C	.	.			trans	-145.4	59	175.4	-42.8	0	0	0	0	114.9	D398 I774 R775 R776 D779	D398-S772 VanDerWaalsContact OD1-CA 3.26Å; D398-S772 WeakPolarHBondContact OD1-CA 3.45Å; D398-S772 WeakPolarHBondContact OD2-CA 3.36Å; D398-S772 VanDerWaalsContact OD2-CB 3.24Å; D398-S772 WeakPolarHBondContact OD2-CB 3.46Å; S772-I774 VanDerWaalsContact C-N 3.31Å; S772-I774 PolarHBondContact O-N 3.46Å; S772-R775 VanDerWaalsContact CB-NE 3.27Å; S772-R775 PolarHBondContact O-N 3.34Å; S772-R775 PolarHBondContact OG-NH2 3.26Å; S772-R776 WeakPolarHBondContact O-CB 2.81Å; S772-R776 PolarHBondContact O-N 3.24Å; S772-R776 VanDerWaalsContact O-N 3.11Å; S772-R776 PolarHBondContact OG-NH1 3.28Å; S772-R776 PolarHBondContact OG-NH2 3.39Å; S772-R776 VanDerWaalsContact OG-NH2 3.12Å; S772-D779 PolarHBondContact N-OD1 3.32Å
773	P	98.6	Very high	98.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.6	-174.9	33.9	-39.3	0	0	0	115.1	D398 I430 A431 V433 M463 R775 D779 V780	D398-P773 VanDerWaalsContact OD1-CD 3.27Å; D398-P773 WeakPolarHBondContact OD1-CD 3.18Å; D398-P773 VanDerWaalsContact OD1-N 3.15Å; I430-P773 HydrophobicContact CG2-CG 3.77Å; A431-P773 VanDerWaalsContact O-CG 3.24Å; A431-P773 WeakPolarHBondContact O-CG 3.27Å; V433-P773 HydrophobicContact CB-CB 3.92Å; V433-P773 HydrophobicContact CB-CG 4.16Å; V433-P773 HydrophobicContact CG2-CB 3.92Å; V433-P773 HydrophobicContact CG2-CG 3.78Å; M463-P773 WeakPolarHBondContact CE-O 3.4Å; P773-R775 PolarHBondContact O-N 3.46Å; P773-D779 HydrophobicContact CB-CB 3.87Å; P773-V780 HydrophobicContact CB-CG2 4.05Å
774	I	98.5	Very high	98.4	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34.3	175.4	-64.3	173	0	0	0	110.5	D396 D398 A431 V433 M463 C469 C473 S772	D396-I774 HydrophobicContact CB-CD1 4.48Å; D396-I774 HydrophobicContact CB-CG2 3.72Å; D398-I774 WeakPolarHBondContact OD1-CB 3.44Å; D398-I774 WeakPolarHBondContact OD1-CG1 3.29Å; D398-I774 PolarHBondContact OD1-N 3.06Å; A431-I774 HydrophobicContact CB-CD1 3.91Å; A431-I774 HydrophobicContact CB-CG1 4.03Å; V433-I774 HydrophobicContact CG2-CG1 3.72Å; M463-I774 WeakPolarHBondContact CE-O 3.47Å; C469-I774 HydrophobicContact CB-CG2 3.22Å; C473-I774 HydrophobicContact CB-CD1 4.22Å; C473-I774 HydrophobicContact CB-CG1 4.07Å; S772-I774 VanDerWaalsContact C-N 3.31Å; S772-I774 PolarHBondContact O-N 3.46Å
775	R	97.7	Very high	98.4	Very high	69 Å²	69	14.3 Å²	14.3	26%	0.26	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	1.9	-172.9	65	-174.2	179	115.5	1.7	114.7	D398 T452 S453 Y455 S772 P773	D398-R775 WeakPolarHBondContact OD2-CD 3.49Å; D398-R775 IonicContact OD2-NE 2.74Å; D398-R775 PolarHBondContact OD2-NE 3.29Å; T452-R775 CarbonylContact C-O 3.59Å; T452-R775 VanDerWaalsContact CA-O 3.24Å; T452-R775 WeakPolarHBondContact CA-O 3.42Å; T452-R775 PolarHBondContact OG1-O 3.48Å; S453-R775 PolarHBondContact N-O 3.02Å; S453-R775 WeakPolarHBondContact OG-CA 3.24Å; S453-R775 WeakPolarHBondContact OG-CB 3.32Å; Y455-R775 WeakPolarHBondContact OH-CD 3.35Å; S772-R775 VanDerWaalsContact CB-NE 3.27Å; S772-R775 PolarHBondContact O-N 3.34Å; S772-R775 PolarHBondContact OG-NH2 3.26Å; P773-R775 PolarHBondContact O-N 3.46Å
776	R	98.3	Very high	98.5	Very high	20 Å²	20	9 Å²	9	8%	0.075	4%	0.039	C	C	.	.	B	Isolated β-bridge	trans	-142.8	119.1	179.3	-62.1	-168	-60.5	-113.4	2.9	112	S772 A778 D779	S772-R776 WeakPolarHBondContact O-CB 2.81Å; S772-R776 PolarHBondContact O-N 3.24Å; S772-R776 VanDerWaalsContact O-N 3.11Å; S772-R776 PolarHBondContact OG-NH1 3.28Å; S772-R776 PolarHBondContact OG-NH2 3.39Å; S772-R776 VanDerWaalsContact OG-NH2 3.12Å; R776-A778 VanDerWaalsContact C-N 3.29Å; R776-A778 PolarHBondContact O-N 3.15Å; R776-D779 HydrophobicContact CB-CB 4.47Å; R776-D779 WeakPolarHBondContact CB-OD2 3.42Å; R776-D779 IonicContact CZ-OD1 3.8Å; R776-D779 IonicContact CZ-OD2 2.95Å; R776-D779 IonicContact NE-OD1 2.77Å; R776-D779 PolarHBondContact NE-OD1 2.66Å; R776-D779 IonicContact NE-OD2 2.72Å; R776-D779 PolarHBondContact NE-OD2 3.34Å; R776-D779 IonicContact NH2-OD1 2.73Å; R776-D779 PolarHBondContact NH2-OD1 3.06Å; R776-D779 IonicContact NH2-OD2 3.86Å; R776-D779 PolarHBondContact O-N 3.45Å
777	Y	98.7	Very high	98.5	Very high	8 Å²	8	7.1 Å²	7.1	3%	0.031	3%	0.03	C	C	.	.	H	α-helix	trans	-68.7	-29.5	178.7	-176.2	-110.9	0	0	0	112.8	D444 A447 A448 A451 M463 D779 V780 I781 R784 Q820	D444-Y777 VanDerWaalsContact OD1-CE2 3.23Å; D444-Y777 WeakPolarHBondContact OD1-CE2 3.47Å; D444-Y777 PolarHBondContact OD1-OH 2.78Å; A447-Y777 HydrophobicContact CB-CD2 3.91Å; A447-Y777 HydrophobicContact CB-CE2 4.37Å; A448-Y777 HydrophobicContact CB-CD1 4.02Å; A448-Y777 HydrophobicContact CB-CD2 4.47Å; A448-Y777 HydrophobicContact CB-CE1 3.49Å; A448-Y777 VanDerWaalsContact CB-CE1 3.49Å; A448-Y777 HydrophobicContact CB-CE2 4.05Å; A448-Y777 HydrophobicContact CB-CG 4.47Å; A451-Y777 PolarHBondContact O-N 3.48Å; M463-Y777 PolarHBondContact SD-N 3.19Å; Y777-D779 PolarHBondContact O-N 3.2Å; Y777-V780 HydrophobicContact CD2-CB 4.17Å; Y777-V780 HydrophobicContact CD2-CG2 4.46Å; Y777-V780 HydrophobicContact CE2-CB 4.4Å; Y777-V780 HydrophobicContact CE2-CG1 4.41Å; Y777-V780 WeakPolarHBondContact O-CA 3.47Å; Y777-V780 WeakPolarHBondContact O-CB 3.45Å; Y777-V780 PolarHBondContact O-N 2.67Å; Y777-I781 HydrophobicContact CD1-CD1 3.9Å; Y777-I781 HydrophobicContact CD1-CG1 4.13Å; Y777-I781 HydrophobicContact CE1-CD1 3.67Å; Y777-I781 HydrophobicContact CE1-CG1 3.76Å; Y777-I781 PolarHBondContact O-N 2.97Å; Y777-R784 PolarHBondContact OH-NH1 2.78Å; Y777-R784 VanDerWaalsContact OH-NH1 3.08Å; Y777-Q820 HydrophobicContact CD1-CG 4.19Å; Y777-Q820 HydrophobicContact CE1-CG 3.85Å
778	A	98.7	Very high	98.4	Very high	1 Å²	1	7 Å²	7	1%	0.008	3%	0.032	C	C	.	.	H	α-helix	trans	-53.4	-42.4	173.6	0	0	0	0	0	112.1	F626 Y745 R776 V780 I781 V782	F626-A778 HydrophobicContact CE1-CB 3.76Å; F626-A778 HydrophobicContact CZ-CB 4.5Å; Y745-A778 HydrophobicContact CD1-CB 3.97Å; Y745-A778 HydrophobicContact CE1-CB 3.48Å; Y745-A778 VanDerWaalsContact CE1-CB 3.48Å; Y745-A778 HydrophobicContact CE2-CB 4.1Å; Y745-A778 HydrophobicContact CG-CB 4.47Å; R776-A778 VanDerWaalsContact C-N 3.29Å; R776-A778 PolarHBondContact O-N 3.15Å; A778-V780 VanDerWaalsContact C-N 3.33Å; A778-V780 PolarHBondContact O-N 3.28Å; A778-I781 WeakPolarHBondContact O-CB 3.4Å; A778-I781 PolarHBondContact O-N 3.1Å; A778-V782 WeakPolarHBondContact O-CG2 3.29Å; A778-V782 PolarHBondContact O-N 2.82Å
779	D	98.8	Very high	98.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-66.4	-36.1	177.9	-58.5	-132	0	0	0	111	H769 F770 T771 S772 P773 R776 Y777 V782 H783	H769-D779 VanDerWaalsContact CB-OD2 3.23Å; H769-D779 WeakPolarHBondContact CB-OD2 3.36Å; H769-D779 WeakPolarHBondContact O-CA 3.12Å; F770-D779 WeakPolarHBondContact CA-OD1 3.31Å; F770-D779 PolarHBondContact N-OD1 3.45Å; T771-D779 PolarHBondContact N-OD1 3.02Å; T771-D779 VanDerWaalsContact N-OD1 3.11Å; S772-D779 PolarHBondContact N-OD1 3.32Å; P773-D779 HydrophobicContact CB-CB 3.87Å; R776-D779 HydrophobicContact CB-CB 4.47Å; R776-D779 WeakPolarHBondContact CB-OD2 3.42Å; R776-D779 IonicContact CZ-OD1 3.8Å; R776-D779 IonicContact CZ-OD2 2.95Å; R776-D779 IonicContact NE-OD1 2.77Å; R776-D779 PolarHBondContact NE-OD1 2.66Å; R776-D779 IonicContact NE-OD2 2.72Å; R776-D779 PolarHBondContact NE-OD2 3.34Å; R776-D779 IonicContact NH2-OD1 2.73Å; R776-D779 PolarHBondContact NH2-OD1 3.06Å; R776-D779 IonicContact NH2-OD2 3.86Å; R776-D779 PolarHBondContact O-N 3.45Å; Y777-D779 PolarHBondContact O-N 3.2Å; D779-V782 PolarHBondContact O-N 2.72Å; D779-H783 PolarHBondContact O-CD2 3.38Å; D779-H783 PolarHBondContact O-N 2.79Å
780	V	98.6	Very high	98.3	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.006	3%	0.033	C	C	.	.	H	α-helix	trans	-62.2	-43.4	173.8	-176.2	0	0	0	0	111.1	V433 P773 Y777 A778 V782 H783 R784	V433-V780 HydrophobicContact CG1-CG2 3.91Å; P773-V780 HydrophobicContact CB-CG2 4.05Å; Y777-V780 HydrophobicContact CD2-CB 4.17Å; Y777-V780 HydrophobicContact CD2-CG2 4.46Å; Y777-V780 HydrophobicContact CE2-CB 4.4Å; Y777-V780 HydrophobicContact CE2-CG1 4.41Å; Y777-V780 WeakPolarHBondContact O-CA 3.47Å; Y777-V780 WeakPolarHBondContact O-CB 3.45Å; Y777-V780 PolarHBondContact O-N 2.67Å; A778-V780 VanDerWaalsContact C-N 3.33Å; A778-V780 PolarHBondContact O-N 3.28Å; V780-V782 VanDerWaalsContact C-N 3.33Å; V780-V782 PolarHBondContact O-N 3.43Å; V780-H783 WeakPolarHBondContact O-CB 3.1Å; V780-H783 PolarHBondContact O-N 3.49Å; V780-R784 VanDerWaalsContact O-CG 3.27Å; V780-R784 WeakPolarHBondContact O-CG 3.39Å; V780-R784 PolarHBondContact O-N 2.74Å; V780-R784 VanDerWaalsContact O-N 3.1Å
781	I	98.4	Very high	98.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-59.2	-46.6	174.3	-61.2	171.3	0	0	0	110.4	F626 Y777 A778 H783 R784 Q785 F808 L817 Q820	F626-I781 HydrophobicContact CB-CG2 3.99Å; F626-I781 HydrophobicContact CD2-CD1 4.33Å; F626-I781 HydrophobicContact CD2-CG2 4.11Å; F626-I781 HydrophobicContact CE2-CD1 3.96Å; F626-I781 HydrophobicContact CG-CG2 3.97Å; F626-I781 HydrophobicContact CZ-CD1 4.05Å; Y777-I781 HydrophobicContact CD1-CD1 3.9Å; Y777-I781 HydrophobicContact CD1-CG1 4.13Å; Y777-I781 HydrophobicContact CE1-CD1 3.67Å; Y777-I781 HydrophobicContact CE1-CG1 3.76Å; Y777-I781 PolarHBondContact O-N 2.97Å; A778-I781 WeakPolarHBondContact O-CB 3.4Å; A778-I781 PolarHBondContact O-N 3.1Å; I781-H783 VanDerWaalsContact C-N 3.35Å; I781-H783 PolarHBondContact O-N 2.9Å; I781-R784 WeakPolarHBondContact O-CB 3.29Å; I781-R784 PolarHBondContact O-N 3.47Å; I781-R784 VanDerWaalsContact O-N 3.15Å; I781-Q785 WeakPolarHBondContact O-CG 3.47Å; I781-Q785 PolarHBondContact O-N 3.03Å; I781-F808 HydrophobicContact CG1-CZ 4.45Å; I781-F808 HydrophobicContact CG2-CE2 4.2Å; I781-F808 HydrophobicContact CG2-CZ 4.4Å; I781-L817 HydrophobicContact CG2-CD2 3.89Å; I781-Q820 HydrophobicContact CD1-CB 4.45Å; I781-Q820 HydrophobicContact CD1-CG 3.57Å
782	V	98.7	Very high	98.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.6	-40.4	179.9	167.3	0	0	0	0	111.5	V613 L617 F626 T768 H769 F770 A778 D779 V780 R784 Q785 L786	V613-V782 HydrophobicContact CG1-CG1 3.54Å; L617-V782 HydrophobicContact CD1-CB 4.5Å; L617-V782 HydrophobicContact CD1-CG1 4.01Å; L617-V782 HydrophobicContact CD1-CG2 4.25Å; F626-V782 HydrophobicContact CB-CG2 4.4Å; F626-V782 HydrophobicContact CD1-CG2 4.2Å; T768-V782 HydrophobicContact CG2-CG1 3.9Å; T768-V782 HydrophobicContact CG2-CG2 4.34Å; T768-V782 VanDerWaalsContact OG1-CG2 3.31Å; T768-V782 WeakPolarHBondContact OG1-CG2 3.23Å; H769-V782 WeakPolarHBondContact O-CG2 3.24Å; F770-V782 HydrophobicContact CB-CG1 4.06Å; F770-V782 HydrophobicContact CD2-CG1 4.02Å; A778-V782 WeakPolarHBondContact O-CG2 3.29Å; A778-V782 PolarHBondContact O-N 2.82Å; D779-V782 PolarHBondContact O-N 2.72Å; V780-V782 VanDerWaalsContact C-N 3.33Å; V780-V782 PolarHBondContact O-N 3.43Å; V782-R784 VanDerWaalsContact C-N 3.33Å; V782-R784 PolarHBondContact O-N 3.48Å; V782-Q785 PolarHBondContact O-N 3.28Å; V782-L786 WeakPolarHBondContact O-CB 3.44Å; V782-L786 PolarHBondContact O-N 2.82Å
783	H	98.7	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58	-45.4	172.7	-79.8	-144	0	0	0	111.2	A431 F484 F770 D779 V780 I781 Q785 L786 S787	A431-H783 PolarHBondContact O-CE1 3.17Å; F484-H783 HydrophobicContact CD1-CB 4.11Å; F484-H783 AromaticContact CD1-CG 3.93Å; F484-H783 AromaticContact CD1-ND1 3.7Å; F484-H783 HydrophobicContact CE1-CB 4.33Å; F484-H783 WeakPolarHBondContact CE1-O 3.34Å; F770-H783 AromaticContact CD2-CD2 3.24Å; F770-H783 WeakPolarHBondContact CD2-CD2 3.49Å; F770-H783 AromaticContact CD2-NE2 3.42Å; F770-H783 WeakPolarHBondContact CD2-NE2 3.48Å; F770-H783 AromaticContact CE2-CD2 3.29Å; F770-H783 WeakPolarHBondContact CE2-CD2 3.26Å; F770-H783 AromaticContact CE2-NE2 3.32Å; F770-H783 VanDerWaalsContact CE2-NE2 3.32Å; F770-H783 WeakPolarHBondContact CE2-NE2 3.37Å; F770-H783 AromaticContact CZ-NE2 3.88Å; F770-H783 PolarHBondContact O-NE2 3.15Å; D779-H783 PolarHBondContact O-CD2 3.38Å; D779-H783 PolarHBondContact O-N 2.79Å; V780-H783 WeakPolarHBondContact O-CB 3.1Å; V780-H783 PolarHBondContact O-N 3.49Å; I781-H783 VanDerWaalsContact C-N 3.35Å; I781-H783 PolarHBondContact O-N 2.9Å; H783-Q785 PolarHBondContact O-N 3.28Å; H783-L786 PolarHBondContact O-N 2.93Å; H783-S787 PolarHBondContact O-N 2.97Å; H783-S787 PolarHBondContact O-OG 3.21Å
784	R	98.1	Very high	97.9	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-41.8	178.7	-63.1	173.7	175.3	156.3	5	112.3	V437 D444 Y777 V780 I781 V782 L786 S787 A788 T806 F808	V437-R784 PolarHBondContact O-NH2 3.47Å; D444-R784 VanDerWaalsContact CG-NH2 3.33Å; D444-R784 IonicContact OD1-CZ 3.66Å; D444-R784 IonicContact OD1-NH1 2.74Å; D444-R784 PolarHBondContact OD1-NH1 2.91Å; D444-R784 IonicContact OD1-NH2 3.46Å; D444-R784 PolarHBondContact OD1-NH2 2.97Å; D444-R784 IonicContact OD2-NH1 3.24Å; D444-R784 IonicContact OD2-NH2 3.66Å; Y777-R784 PolarHBondContact OH-NH1 2.78Å; Y777-R784 VanDerWaalsContact OH-NH1 3.08Å; V780-R784 VanDerWaalsContact O-CG 3.27Å; V780-R784 WeakPolarHBondContact O-CG 3.39Å; V780-R784 PolarHBondContact O-N 2.74Å; V780-R784 VanDerWaalsContact O-N 3.1Å; I781-R784 WeakPolarHBondContact O-CB 3.29Å; I781-R784 PolarHBondContact O-N 3.47Å; I781-R784 VanDerWaalsContact O-N 3.15Å; V782-R784 VanDerWaalsContact C-N 3.33Å; V782-R784 PolarHBondContact O-N 3.48Å; R784-L786 VanDerWaalsContact C-N 3.35Å; R784-S787 PolarHBondContact O-N 3.04Å; R784-A788 PolarHBondContact O-N 2.74Å; R784-T806 VanDerWaalsContact CG-O 3.3Å; R784-T806 WeakPolarHBondContact CG-O 3.16Å; R784-F808 HydrophobicContact CB-CD2 3.9Å; R784-F808 HydrophobicContact CB-CE2 3.72Å; R784-F808 HydrophobicContact CB-CZ 4.45Å; R784-F808 VanDerWaalsContact CD-CZ 3.41Å; R784-F808 HydrophobicContact CG-CE2 4.27Å
785	Q	98.1	Very high	97.8	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.056	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-40.7	176.2	-70.3	-168.4	-40.9	0	0	111.5	L617 L621 S624 F626 I781 V782 H783 A788 I789	L617-Q785 HydrophobicContact CD1-CB 4.36Å; L617-Q785 HydrophobicContact CD2-CB 3.71Å; L621-Q785 HydrophobicContact CD1-CB 3.82Å; L621-Q785 HydrophobicContact CD1-CG 4.13Å; S624-Q785 PolarHBondContact O-NE2 3.44Å; F626-Q785 VanDerWaalsContact CB-OE1 3.32Å; I781-Q785 WeakPolarHBondContact O-CG 3.47Å; I781-Q785 PolarHBondContact O-N 3.03Å; V782-Q785 PolarHBondContact O-N 3.28Å; H783-Q785 PolarHBondContact O-N 3.28Å; Q785-A788 PolarHBondContact O-N 3.41Å; Q785-I789 WeakPolarHBondContact O-CG1 3.41Å; Q785-I789 PolarHBondContact O-N 3.39Å; Q785-I789 VanDerWaalsContact O-N 3.12Å
786	L	98.4	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.5	-42.3	175.7	-173	58.9	0	0	0	111.5	F484 F501 V613 R616 L617 F770 V782 H783 R784 A788 I789 L790	F484-L786 HydrophobicContact CD2-CD2 4.26Å; F484-L786 HydrophobicContact CE1-CB 4.24Å; F484-L786 HydrophobicContact CE1-CD2 4.24Å; F484-L786 HydrophobicContact CE1-CG 4.34Å; F484-L786 HydrophobicContact CE2-CD2 3.52Å; F484-L786 HydrophobicContact CE2-CG 3.95Å; F484-L786 HydrophobicContact CZ-CB 3.89Å; F484-L786 HydrophobicContact CZ-CD2 3.52Å; F484-L786 HydrophobicContact CZ-CG 3.53Å; F501-L786 HydrophobicContact CB-CD1 4.45Å; F501-L786 HydrophobicContact CB-CD2 4.37Å; F501-L786 HydrophobicContact CD1-CD1 4.4Å; F501-L786 HydrophobicContact CD1-CD2 4.02Å; F501-L786 HydrophobicContact CG-CD1 4.4Å; V613-L786 HydrophobicContact CG1-CD2 4.36Å; V613-L786 HydrophobicContact CG2-CD2 4.14Å; R616-L786 HydrophobicContact CG-CD1 3.89Å; L617-L786 HydrophobicContact CD2-CB 4.47Å; F770-L786 HydrophobicContact CD2-CD2 4.48Å; F770-L786 HydrophobicContact CE2-CD2 3.82Å; F770-L786 HydrophobicContact CZ-CD2 4.32Å; V782-L786 WeakPolarHBondContact O-CB 3.44Å; V782-L786 PolarHBondContact O-N 2.82Å; H783-L786 PolarHBondContact O-N 2.93Å; R784-L786 VanDerWaalsContact C-N 3.35Å; L786-A788 VanDerWaalsContact C-N 3.32Å; L786-A788 PolarHBondContact O-N 3.44Å; L786-I789 PolarHBondContact O-N 2.84Å; L786-L790 HydrophobicContact CG-CD1 4.41Å; L786-L790 WeakPolarHBondContact O-CG 3.36Å; L786-L790 PolarHBondContact O-N 2.99Å
787	S	98	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.7	-42.9	172.9	-69.4	0	0	0	0	112.3	F484 H783 R784 I789 L790 A791 T806	F484-S787 WeakPolarHBondContact CE1-OG 2.95Å; H783-S787 PolarHBondContact O-N 2.97Å; H783-S787 PolarHBondContact O-OG 3.21Å; R784-S787 PolarHBondContact O-N 3.04Å; S787-I789 VanDerWaalsContact C-N 3.32Å; S787-I789 PolarHBondContact O-N 3.21Å; S787-L790 PolarHBondContact O-N 2.76Å; S787-A791 PolarHBondContact O-N 2.61Å; S787-T806 PolarHBondContact OG-OG1 3.13Å
788	A	97.1	Very high	97.3	Very high	13 Å²	13	34.9 Å²	34.9	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-37.5	177.5	0	0	0	0	0	112.7	R784 Q785 L786 K792 A807	R784-A788 PolarHBondContact O-N 2.74Å; Q785-A788 PolarHBondContact O-N 3.41Å; L786-A788 VanDerWaalsContact C-N 3.32Å; L786-A788 PolarHBondContact O-N 3.44Å; A788-K792 WeakPolarHBondContact O-CG 3.44Å; A788-K792 PolarHBondContact O-N 2.89Å; A788-A807 HydrophobicContact CB-CB 3.87Å
789	I	97.6	Very high	97.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-67.3	-46.8	174.9	-65.7	164.4	0	0	0	110.3	R616 L617 Y620 L621 Q785 L786 S787 A791 K792 E793	R616-I789 HydrophobicContact CG-CD1 4.39Å; R616-I789 HydrophobicContact CG-CG2 4.4Å; L617-I789 HydrophobicContact CD2-CD1 3.51Å; Y620-I789 HydrophobicContact CD1-CG2 4.15Å; Y620-I789 HydrophobicContact CD2-CG2 3.97Å; Y620-I789 HydrophobicContact CE2-CG2 4.44Å; Y620-I789 HydrophobicContact CG-CG1 4.48Å; Y620-I789 HydrophobicContact CG-CG2 3.82Å; L621-I789 HydrophobicContact CD1-CD1 3.93Å; L621-I789 HydrophobicContact CD1-CG1 4.11Å; L621-I789 HydrophobicContact CG-CD1 4.07Å; L621-I789 HydrophobicContact CG-CG1 4.13Å; Q785-I789 WeakPolarHBondContact O-CG1 3.41Å; Q785-I789 PolarHBondContact O-N 3.39Å; Q785-I789 VanDerWaalsContact O-N 3.12Å; L786-I789 PolarHBondContact O-N 2.84Å; S787-I789 VanDerWaalsContact C-N 3.32Å; S787-I789 PolarHBondContact O-N 3.21Å; I789-A791 VanDerWaalsContact C-N 3.3Å; I789-A791 PolarHBondContact O-N 2.97Å; I789-K792 PolarHBondContact O-N 2.97Å; I789-K792 VanDerWaalsContact O-N 3.08Å; I789-E793 PolarHBondContact O-N 2.86Å; I789-E793 VanDerWaalsContact O-N 3.13Å
790	L	98	Very high	97.1	Very high	13 Å²	13	38 Å²	38	7%	0.068	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-38.1	179.6	-69.3	177.3	0	0	0	112.1	F484 F501 L786 S787 K792 E793 E794 Y803	F484-L790 HydrophobicContact CE2-CD1 3.76Å; F484-L790 HydrophobicContact CZ-CD1 3.7Å; F501-L790 HydrophobicContact CB-CD2 4.29Å; L786-L790 HydrophobicContact CG-CD1 4.41Å; L786-L790 WeakPolarHBondContact O-CG 3.36Å; L786-L790 PolarHBondContact O-N 2.99Å; S787-L790 PolarHBondContact O-N 2.76Å; L790-K792 VanDerWaalsContact C-N 3.31Å; L790-K792 PolarHBondContact O-N 3.05Å; L790-E793 PolarHBondContact O-N 3.47Å; L790-E794 WeakPolarHBondContact O-CB 3.36Å; L790-E794 PolarHBondContact O-N 3.02Å; L790-Y803 HydrophobicContact CB-CD1 4.11Å; L790-Y803 HydrophobicContact CB-CD2 4.07Å; L790-Y803 HydrophobicContact CB-CE1 4.12Å; L790-Y803 HydrophobicContact CB-CE2 4.07Å; L790-Y803 HydrophobicContact CB-CG 4.1Å; L790-Y803 HydrophobicContact CD1-CD1 4.26Å; L790-Y803 HydrophobicContact CD1-CE1 3.64Å
791	A	97	Very high	96.9	Very high	9 Å²	9	43.2 Å²	43.2	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-39.2	173.2	0	0	0	0	0	113.1	S787 I789 E793 A800 L804	S787-A791 PolarHBondContact O-N 2.61Å; I789-A791 VanDerWaalsContact C-N 3.3Å; I789-A791 PolarHBondContact O-N 2.97Å; A791-E793 VanDerWaalsContact C-N 3.31Å; A791-A800 WeakPolarHBondContact CB-O 3.45Å; A791-A800 WeakPolarHBondContact O-CB 3.44Å; A791-L804 HydrophobicContact CB-CD1 4.42Å; A791-L804 HydrophobicContact CB-CD2 3.68Å; A791-L804 HydrophobicContact CB-CG 3.58Å
792	K	95.7	Very high	96.7	Very high	135 Å²	135	43.9 Å²	43.9	59%	0.587	24%	0.235	S	C	*	.	H	α-helix	trans	-71.7	-25.3	178.1	-69	174.3	-174.4	174.7	0	112.7	A788 I789 L790 E811	A788-K792 WeakPolarHBondContact O-CG 3.44Å; A788-K792 PolarHBondContact O-N 2.89Å; I789-K792 PolarHBondContact O-N 2.97Å; I789-K792 VanDerWaalsContact O-N 3.08Å; L790-K792 VanDerWaalsContact C-N 3.31Å; L790-K792 PolarHBondContact O-N 3.05Å; K792-E811 IonicContact NZ-OE1 3.3Å; K792-E811 PolarHBondContact NZ-OE1 3.14Å
793	E	95.6	Very high	96.6	Very high	74 Å²	74	44.2 Å²	44.2	35%	0.346	24%	0.236	S	C	.	.	H	α-helix	trans	-89.3	-19.2	178.1	-68	-176.1	157.6	0	0	113.2	R616 Y620 I789 L790 A791	R616-E793 IonicContact CZ-OE2 3.26Å; R616-E793 VanDerWaalsContact NH1-CD 3.26Å; R616-E793 IonicContact NH1-OE1 3Å; R616-E793 PolarHBondContact NH1-OE1 2.84Å; R616-E793 IonicContact NH1-OE2 2.73Å; R616-E793 PolarHBondContact NH1-OE2 3.28Å; Y620-E793 HydrophobicContact CE1-CG 4.43Å; Y620-E793 WeakPolarHBondContact CE1-OE1 3.32Å; Y620-E793 PolarHBondContact OH-OE1 3.45Å; I789-E793 PolarHBondContact O-N 2.86Å; I789-E793 VanDerWaalsContact O-N 3.13Å; L790-E793 PolarHBondContact O-N 3.47Å; A791-E793 VanDerWaalsContact C-N 3.31Å
794	E	96.3	Very high	96.5	Very high	56 Å²	56	48.2 Å²	48.2	26%	0.262	26%	0.258	S	S	.	.			trans	-76.7	132.9	-175.8	-173.9	54.8	-95.1	0	0	111.3	L790 D796 K799 A800	L790-E794 WeakPolarHBondContact O-CB 3.36Å; L790-E794 PolarHBondContact O-N 3.02Å; E794-D796 HydrophobicContact CG-CB 4.35Å; E794-D796 PolarHBondContact OE1-N 2.82Å; E794-K799 HydrophobicContact CG-CB 3.83Å; E794-K799 HydrophobicContact CG-CD 4.12Å; E794-K799 HydrophobicContact CG-CG 3.93Å; E794-K799 VanDerWaalsContact OE2-CD 3.23Å; E794-K799 WeakPolarHBondContact OE2-CD 3.31Å; E794-K799 WeakPolarHBondContact OE2-CE 3.31Å; E794-K799 IonicContact OE2-NZ 2.69Å; E794-K799 PolarHBondContact OE2-NZ 2.98Å; E794-A800 HydrophobicContact CB-CB 4.12Å; E794-A800 HydrophobicContact CG-CB 4.36Å
795	S	96.4	Very high	96.2	Very high	114 Å²	114	50.7 Å²	50.7	80%	0.797	28%	0.275	S	S	*	.	S	Bend	trans	-88.7	-26.4	-177.9	-58.1	0	0	0	0	112.3	P797	S795-P797 WeakPolarHBondContact O-CD 3.11Å
796	D	96	Very high	96	Very high	66 Å²	66	50.1 Å²	50.1	35%	0.353	27%	0.272	S	S	.	.	S	Bend	trans	-78.9	114	173.3	176.7	1.3	0	0	0	110.3	E794 E798 K799 A800	E794-D796 HydrophobicContact CG-CB 4.35Å; E794-D796 PolarHBondContact OE1-N 2.82Å; D796-E798 VanDerWaalsContact C-N 3.29Å; D796-E798 PolarHBondContact O-N 3.16Å; D796-E798 PolarHBondContact OD1-N 2.78Å; D796-K799 HydrophobicContact CB-CB 3.99Å; D796-K799 PolarHBondContact O-N 3.19Å; D796-A800 WeakPolarHBondContact O-CB 3.25Å; D796-A800 PolarHBondContact O-N 3.19Å
797	P	95.6	Very high	95.9	Very high	103 Å²	103	50.3 Å²	50.3	67%	0.669	27%	0.274	S	S	*	.	H	α-helix	trans	-59.8	-34.3	-178.3	-23.4	34.7	0	0	0	114.1	S795 A800 D801	S795-P797 WeakPolarHBondContact O-CD 3.11Å; P797-A800 PolarHBondContact O-N 3.08Å; P797-D801 WeakPolarHBondContact O-CB 3.47Å; P797-D801 PolarHBondContact O-N 2.67Å
798	E	94.7	Very high	95.4	Very high	132 Å²	132	51.8 Å²	51.8	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-69.3	-43.8	-178.7	-166.2	-179.7	171.6	0	0	110.2	F377 D796 D801 W802	F377-E798 HydrophobicContact CE1-CB 4.4Å; F377-E798 HydrophobicContact CE1-CG 4.3Å; F377-E798 HydrophobicContact CE2-CG 4.33Å; F377-E798 HydrophobicContact CZ-CB 4.16Å; F377-E798 HydrophobicContact CZ-CG 3.58Å; D796-E798 VanDerWaalsContact C-N 3.29Å; D796-E798 PolarHBondContact O-N 3.16Å; D796-E798 PolarHBondContact OD1-N 2.78Å; E798-D801 PolarHBondContact O-N 2.95Å; E798-W802 WeakPolarHBondContact O-CB 3.46Å; E798-W802 PolarHBondContact O-N 3.14Å
799	K	95.3	Very high	94.7	Very high	52 Å²	52	56.4 Å²	56.4	23%	0.226	31%	0.309	C	S	.	.	H	α-helix	trans	-69.6	-33.2	175.6	-169.7	171.7	172.3	-146.8	0	112.9	F377 E794 D796 W802 Y803	F377-K799 HydrophobicContact CB-CD 4.48Å; F377-K799 HydrophobicContact CB-CG 4.13Å; F377-K799 HydrophobicContact CD1-CB 3.58Å; F377-K799 HydrophobicContact CD1-CD 3.96Å; F377-K799 HydrophobicContact CD1-CG 3.65Å; F377-K799 HydrophobicContact CE1-CB 3.9Å; F377-K799 HydrophobicContact CE1-CG 4.45Å; F377-K799 HydrophobicContact CG-CB 4.38Å; F377-K799 HydrophobicContact CG-CG 4.14Å; F377-K799 WeakPolarHBondContact O-CE 3.42Å; E794-K799 HydrophobicContact CG-CB 3.83Å; E794-K799 HydrophobicContact CG-CD 4.12Å; E794-K799 HydrophobicContact CG-CG 3.93Å; E794-K799 VanDerWaalsContact OE2-CD 3.23Å; E794-K799 WeakPolarHBondContact OE2-CD 3.31Å; E794-K799 WeakPolarHBondContact OE2-CE 3.31Å; E794-K799 IonicContact OE2-NZ 2.69Å; E794-K799 PolarHBondContact OE2-NZ 2.98Å; D796-K799 HydrophobicContact CB-CB 3.99Å; D796-K799 PolarHBondContact O-N 3.19Å; K799-W802 WeakPolarHBondContact O-CB 3.12Å; K799-W802 PolarHBondContact O-N 3.16Å; K799-Y803 HydrophobicContact CG-CD2 4.39Å; K799-Y803 HydrophobicContact CG-CE2 4.22Å; K799-Y803 WeakPolarHBondContact O-CD2 3.06Å; K799-Y803 PolarHBondContact O-N 3.35Å
800	A	96.3	Very high	94	Very high	14 Å²	14	64 Å²	64	12%	0.116	34%	0.342	C	S	.	.	H	α-helix	trans	-63.4	-47.6	172.9	0	0	0	0	0	111.2	A791 E794 D796 P797 W802 Y803 L804	A791-A800 WeakPolarHBondContact CB-O 3.45Å; A791-A800 WeakPolarHBondContact O-CB 3.44Å; E794-A800 HydrophobicContact CB-CB 4.12Å; E794-A800 HydrophobicContact CG-CB 4.36Å; D796-A800 WeakPolarHBondContact O-CB 3.25Å; D796-A800 PolarHBondContact O-N 3.19Å; P797-A800 PolarHBondContact O-N 3.08Å; A800-W802 VanDerWaalsContact C-N 3.3Å; A800-W802 PolarHBondContact O-N 2.73Å; A800-Y803 PolarHBondContact O-N 2.72Å; A800-L804 WeakPolarHBondContact O-CG 3.34Å; A800-L804 PolarHBondContact O-N 2.67Å
801	D	95.3	Very high	93	Very high	111 Å²	111	68.6 Å²	68.6	59%	0.594	36%	0.363	S	S	*	.	H	α-helix	trans	-61.4	-39.8	175	-170.4	64.8	0	0	0	111.7	P797 E798 Y803 L804 S805	P797-D801 WeakPolarHBondContact O-CB 3.47Å; P797-D801 PolarHBondContact O-N 2.67Å; E798-D801 PolarHBondContact O-N 2.95Å; D801-Y803 PolarHBondContact O-N 3.41Å; D801-L804 CarbonylContact O-C 3.53Å; D801-L804 WeakPolarHBondContact O-CA 3.02Å; D801-L804 WeakPolarHBondContact O-CB 3.46Å; D801-L804 PolarHBondContact O-N 3.31Å; D801-L804 VanDerWaalsContact O-N 3.08Å; D801-S805 PolarHBondContact O-N 3.38Å
802	W	94.9	Very high	92.4	Very high	14 Å²	14	70 Å²	70	5%	0.053	37%	0.369	C	S	.	.	H	α-helix	trans	-58.6	-43	174.3	178.2	78.9	0	0	0	113.1	D374 F377 R378 Y435 R503 E798 K799 A800 S805	D374-W802 VanDerWaalsContact CG-NE1 3.31Å; D374-W802 PolarHBondContact OD2-NE1 2.6Å; F377-W802 HydrophobicContact CB-CD2 3.74Å; F377-W802 HydrophobicContact CB-CE3 3.69Å; F377-W802 HydrophobicContact CB-CG 4.25Å; F377-W802 HydrophobicContact CB-CH2 4.15Å; F377-W802 HydrophobicContact CB-CZ2 4.27Å; F377-W802 HydrophobicContact CB-CZ3 3.9Å; F377-W802 HydrophobicContact CD2-CB 4.02Å; F377-W802 AromaticContact CD2-CD1 3.85Å; F377-W802 HydrophobicContact CD2-CD2 4.1Å; F377-W802 AromaticContact CD2-CG 3.72Å; F377-W802 HydrophobicContact CD2-CG 3.72Å; F377-W802 HydrophobicContact CE2-CB 4.42Å; F377-W802 HydrophobicContact CE2-CG 4.47Å; F377-W802 HydrophobicContact CG-CB 4.42Å; F377-W802 HydrophobicContact CG-CD2 4.2Å; F377-W802 HydrophobicContact CG-CE3 4.44Å; F377-W802 HydrophobicContact CG-CG 4.19Å; R378-W802 HydrophobicContact CG-CH2 3.66Å; R378-W802 HydrophobicContact CG-CZ2 3.87Å; Y435-W802 HydrophobicContact CE2-CZ2 4.4Å; R503-W802 HydrophobicContact CB-CH2 3.46Å; R503-W802 VanDerWaalsContact CB-CH2 3.46Å; R503-W802 HydrophobicContact CB-CZ3 3.94Å; R503-W802 HydrophobicContact CG-CH2 4.04Å; R503-W802 HydrophobicContact CG-CZ3 4.43Å; E798-W802 WeakPolarHBondContact O-CB 3.46Å; E798-W802 PolarHBondContact O-N 3.14Å; K799-W802 WeakPolarHBondContact O-CB 3.12Å; K799-W802 PolarHBondContact O-N 3.16Å; A800-W802 VanDerWaalsContact C-N 3.3Å; A800-W802 PolarHBondContact O-N 2.73Å; W802-S805 WeakPolarHBondContact O-CB 3.2Å; W802-S805 PolarHBondContact O-N 2.77Å; W802-S805 PolarHBondContact O-OG 3.17Å
803	Y	96.6	Very high	92	Very high	7 Å²	7	65.9 Å²	65.9	3%	0.027	36%	0.355	C	S	.	.	H	α-helix	trans	-63.8	-43.8	171.9	-84	-62.1	0	0	0	111.8	R503 L790 K799 A800 D801 S805 T806 A807	R503-Y803 HydrophobicContact CB-CE1 4.37Å; R503-Y803 HydrophobicContact CG-CE1 4.21Å; R503-Y803 PolarHBondContact N-OH 3.21Å; L790-Y803 HydrophobicContact CB-CD1 4.11Å; L790-Y803 HydrophobicContact CB-CD2 4.07Å; L790-Y803 HydrophobicContact CB-CE1 4.12Å; L790-Y803 HydrophobicContact CB-CE2 4.07Å; L790-Y803 HydrophobicContact CB-CG 4.1Å; L790-Y803 HydrophobicContact CD1-CD1 4.26Å; L790-Y803 HydrophobicContact CD1-CE1 3.64Å; K799-Y803 HydrophobicContact CG-CD2 4.39Å; K799-Y803 HydrophobicContact CG-CE2 4.22Å; K799-Y803 WeakPolarHBondContact O-CD2 3.06Å; K799-Y803 PolarHBondContact O-N 3.35Å; A800-Y803 PolarHBondContact O-N 2.72Å; D801-Y803 PolarHBondContact O-N 3.41Å; Y803-S805 PolarHBondContact O-N 3.47Å; Y803-T806 PolarHBondContact O-N 3.11Å; Y803-T806 VanDerWaalsContact O-N 3.17Å; Y803-T806 PolarHBondContact O-OG1 3.22Å; Y803-A807 PolarHBondContact O-N 2.91Å
804	L	95.6	Very high	91.7	Very high	85 Å²	85	64.4 Å²	64.4	45%	0.445	35%	0.352	S	S	.	.	H	α-helix	trans	-60.3	-29.9	176.9	-70.5	174.6	0	0	0	113	A791 A800 D801 T806 A807	A791-L804 HydrophobicContact CB-CD1 4.42Å; A791-L804 HydrophobicContact CB-CD2 3.68Å; A791-L804 HydrophobicContact CB-CG 3.58Å; A800-L804 WeakPolarHBondContact O-CG 3.34Å; A800-L804 PolarHBondContact O-N 2.67Å; D801-L804 CarbonylContact O-C 3.53Å; D801-L804 WeakPolarHBondContact O-CA 3.02Å; D801-L804 WeakPolarHBondContact O-CB 3.46Å; D801-L804 PolarHBondContact O-N 3.31Å; D801-L804 VanDerWaalsContact O-N 3.08Å; L804-T806 PolarHBondContact O-N 3.17Å; L804-A807 HydrophobicContact CD2-CB 4.3Å; L804-A807 PolarHBondContact O-N 3.36Å
805	S	92.9	Very high	91.1	Very high	53 Å²	53	63.8 Å²	63.8	37%	0.371	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-11	176.4	84.7	0	0	0	0	114.6	K438 D801 W802 Y803	K438-S805 PolarHBondContact NZ-O 2.81Å; K438-S805 VanDerWaalsContact NZ-O 3.1Å; D801-S805 PolarHBondContact O-N 3.38Å; W802-S805 WeakPolarHBondContact O-CB 3.2Å; W802-S805 PolarHBondContact O-N 2.77Å; W802-S805 PolarHBondContact O-OG 3.17Å; Y803-S805 PolarHBondContact O-N 3.47Å
806	T	93.8	Very high	90.6	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-8.2	174.9	60.1	0	0	0	0	113.8	Y435 K438 R503 R784 S787 Y803 L804	Y435-T806 HydrophobicContact CD2-CG2 3.91Å; K438-T806 HydrophobicContact CD-CG2 4.44Å; K438-T806 VanDerWaalsContact NZ-CG2 3.34Å; R503-T806 PolarHBondContact NH1-OG1 3.19Å; R503-T806 VanDerWaalsContact NH2-CG2 3.28Å; R503-T806 PolarHBondContact NH2-OG1 3.4Å; R784-T806 VanDerWaalsContact CG-O 3.3Å; R784-T806 WeakPolarHBondContact CG-O 3.16Å; S787-T806 PolarHBondContact OG-OG1 3.13Å; Y803-T806 PolarHBondContact O-N 3.11Å; Y803-T806 VanDerWaalsContact O-N 3.17Å; Y803-T806 PolarHBondContact O-OG1 3.22Å; L804-T806 PolarHBondContact O-N 3.17Å
807	A	94.6	Very high	90.5	Very high	3 Å²	3	59 Å²	59	3%	0.025	32%	0.315	C	S	.	.	S	Bend	trans	-72.9	166.2	167.9	0	0	0	0	0	109.9	P439 A788 Y803 L804 P809	P439-A807 WeakPolarHBondContact CG-O 3.46Å; A788-A807 HydrophobicContact CB-CB 3.87Å; Y803-A807 PolarHBondContact O-N 2.91Å; L804-A807 HydrophobicContact CD2-CB 4.3Å; L804-A807 PolarHBondContact O-N 3.36Å; A807-P809 WeakPolarHBondContact O-CD 3.49Å
808	F	87.9	Confident	90.2	Very high	31 Å²	31	56.1 Å²	56.1	14%	0.136	29%	0.292	C	S	.	.			trans	-63.3	127.3	171	-68.1	-79.4	0	0	0	110.1	P439 I781 R784 K810 M812	P439-F808 HydrophobicContact CB-CD1 3.94Å; P439-F808 HydrophobicContact CB-CE1 4.35Å; P439-F808 HydrophobicContact CG-CD1 4.39Å; I781-F808 HydrophobicContact CG1-CZ 4.45Å; I781-F808 HydrophobicContact CG2-CE2 4.2Å; I781-F808 HydrophobicContact CG2-CZ 4.4Å; R784-F808 HydrophobicContact CB-CD2 3.9Å; R784-F808 HydrophobicContact CB-CE2 3.72Å; R784-F808 HydrophobicContact CB-CZ 4.45Å; R784-F808 VanDerWaalsContact CD-CZ 3.41Å; R784-F808 HydrophobicContact CG-CE2 4.27Å; F808-K810 WeakPolarHBondContact CB-O 3.35Å; F808-K810 PolarHBondContact O-N 2.89Å; F808-M812 HydrophobicContact CD1-CG 3.96Å; F808-M812 HydrophobicContact CD1-SD 4.13Å; F808-M812 HydrophobicContact CD2-CG 4.43Å; F808-M812 HydrophobicContact CE1-CG 3.97Å; F808-M812 HydrophobicContact CE1-SD 3.49Å; F808-M812 WeakPolarHBondContact CE1-SD 3.32Å; F808-M812 HydrophobicContact CE2-CG 4.43Å; F808-M812 HydrophobicContact CE2-SD 4Å; F808-M812 HydrophobicContact CG-CG 4.2Å; F808-M812 HydrophobicContact CZ-CG 4.2Å; F808-M812 HydrophobicContact CZ-SD 3.41Å; F808-M812 WeakPolarHBondContact CZ-SD 3.33Å
809	P	82	Confident	89.8	Confident	110 Å²	110	53.1 Å²	53.1	71%	0.714	28%	0.278	S	S	*	.	S	Bend	trans	-59.7	-34.2	179.2	-25.3	33.5	0	0	0	113.2	A807	A807-P809 WeakPolarHBondContact O-CD 3.49Å
810	K	83.5	Confident	89.6	Confident	163 Å²	163	52 Å²	52	71%	0.709	27%	0.274	S	S	*	.	S	Bend	trans	-120.7	122.3	167.5	179.6	-176.1	177.2	-172.2	0	106.4	F808 M812	F808-K810 WeakPolarHBondContact CB-O 3.35Å; F808-K810 PolarHBondContact O-N 2.89Å; K810-M812 PolarHBondContact O-N 2.77Å; K810-M812 VanDerWaalsContact O-N 3.15Å
811	E	77	Confident	89.6	Confident	109 Å²	109	51.4 Å²	51.4	51%	0.509	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-52.5	124.1	176.9	-70.3	-174.1	177.9	0	0	109.1	K792 T813	K792-E811 IonicContact NZ-OE1 3.3Å; K792-E811 PolarHBondContact NZ-OE1 3.14Å; E811-T813 PolarHBondContact O-N 3.35Å
812	M	84.4	Confident	89.3	Confident	39 Å²	39	48.2 Å²	48.2	19%	0.192	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-58.4	132.7	173.4	-71	-178.4	71.3	0	0	108.1	F808 K810 E816 L817 Q820	F808-M812 HydrophobicContact CD1-CG 3.96Å; F808-M812 HydrophobicContact CD1-SD 4.13Å; F808-M812 HydrophobicContact CD2-CG 4.43Å; F808-M812 HydrophobicContact CE1-CG 3.97Å; F808-M812 HydrophobicContact CE1-SD 3.49Å; F808-M812 WeakPolarHBondContact CE1-SD 3.32Å; F808-M812 HydrophobicContact CE2-CG 4.43Å; F808-M812 HydrophobicContact CE2-SD 4Å; F808-M812 HydrophobicContact CG-CG 4.2Å; F808-M812 HydrophobicContact CZ-CG 4.2Å; F808-M812 HydrophobicContact CZ-SD 3.41Å; F808-M812 WeakPolarHBondContact CZ-SD 3.33Å; K810-M812 PolarHBondContact O-N 2.77Å; K810-M812 VanDerWaalsContact O-N 3.15Å; M812-E816 HydrophobicContact CB-CB 4.38Å; M812-E816 HydrophobicContact CE-CB 3.78Å; M812-L817 HydrophobicContact CB-CD1 4.27Å; M812-L817 HydrophobicContact CB-CD2 3.9Å; M812-L817 HydrophobicContact CB-CG 3.7Å; M812-L817 HydrophobicContact CE-CD2 4.12Å; M812-L817 HydrophobicContact CE-CG 4.44Å; M812-L817 HydrophobicContact CG-CD2 4.43Å; M812-L817 HydrophobicContact SD-CD2 3.75Å; M812-L817 HydrophobicContact SD-CG 4.44Å; M812-Q820 HydrophobicContact CE-CB 4.44Å
813	T	87.7	Confident	89.1	Confident	47 Å²	47	47.8 Å²	47.8	29%	0.288	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-62	152.6	175.1	62.2	0	0	0	0	109.7	E811 V815 E816 L817	E811-T813 PolarHBondContact O-N 3.35Å; T813-V815 PolarHBondContact O-N 2.76Å; T813-E816 WeakPolarHBondContact CB-OE2 3.2Å; T813-E816 WeakPolarHBondContact CG2-OE2 3.26Å; T813-E816 PolarHBondContact N-OE2 2.84Å; T813-E816 PolarHBondContact O-N 2.95Å; T813-E816 VanDerWaalsContact OG1-CD 3.25Å; T813-E816 VanDerWaalsContact OG1-CG 3.25Å; T813-E816 WeakPolarHBondContact OG1-CG 3.33Å; T813-E816 PolarHBondContact OG1-N 3.45Å; T813-E816 PolarHBondContact OG1-OE2 3.06Å; T813-L817 PolarHBondContact O-N 2.61Å
814	P	88.6	Confident	89.2	Confident	43 Å²	43	47.6 Å²	47.6	28%	0.279	25%	0.249	S	C	.	.	H	α-helix	trans	-52.1	-33.3	175.2	-29.3	36.2	0	0	0	113.1	D623 L750 Q818	D623-P814 WeakPolarHBondContact O-CG 3.49Å; L750-P814 VanDerWaalsContact CD1-C 3.47Å; L750-P814 HydrophobicContact CD1-CB 4.05Å; L750-P814 VanDerWaalsContact CD1-O 3.28Å; L750-P814 WeakPolarHBondContact CD1-O 3.18Å; L750-P814 HydrophobicContact CD2-CB 4.17Å; L750-P814 HydrophobicContact CG-CB 3.78Å; P814-Q818 WeakPolarHBondContact O-CB 3.27Å; P814-Q818 PolarHBondContact O-N 2.91Å
815	V	83.5	Confident	89.1	Confident	43 Å²	43	44.5 Å²	44.5	26%	0.261	23%	0.233	S	C	.	.	H	α-helix	trans	-67.5	-47.7	177	178.4	0	0	0	0	111.9	L750 T813 L817 Q818 Q819	L750-V815 HydrophobicContact CD1-CG2 4.16Å; T813-V815 PolarHBondContact O-N 2.76Å; V815-L817 VanDerWaalsContact C-N 3.31Å; V815-L817 PolarHBondContact O-N 2.72Å; V815-Q818 PolarHBondContact O-N 2.96Å; V815-Q819 WeakPolarHBondContact O-CG 3.28Å; V815-Q819 PolarHBondContact O-N 3.25Å
816	E	86.7	Confident	89	Confident	78 Å²	78	42.4 Å²	42.4	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-39.1	177	-71.7	160.9	147.2	0	0	111.3	M812 T813 Q819 Q820	M812-E816 HydrophobicContact CB-CB 4.38Å; M812-E816 HydrophobicContact CE-CB 3.78Å; T813-E816 WeakPolarHBondContact CB-OE2 3.2Å; T813-E816 WeakPolarHBondContact CG2-OE2 3.26Å; T813-E816 PolarHBondContact N-OE2 2.84Å; T813-E816 PolarHBondContact O-N 2.95Å; T813-E816 VanDerWaalsContact OG1-CD 3.25Å; T813-E816 VanDerWaalsContact OG1-CG 3.25Å; T813-E816 WeakPolarHBondContact OG1-CG 3.33Å; T813-E816 PolarHBondContact OG1-N 3.45Å; T813-E816 PolarHBondContact OG1-OE2 3.06Å; E816-Q819 PolarHBondContact O-N 2.92Å; E816-Q820 PolarHBondContact O-N 3Å
817	L	93.2	Very high	89	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-42.9	174.9	-73.2	168.5	0	0	0	111.8	S624 F626 C747 I781 M812 T813 V815 Q820 A821	S624-L817 VanDerWaalsContact O-CD1 3.24Å; S624-L817 WeakPolarHBondContact O-CD1 3.28Å; F626-L817 HydrophobicContact CD2-CB 4.38Å; F626-L817 HydrophobicContact CD2-CD2 4.08Å; F626-L817 WeakPolarHBondContact CE2-O 3.47Å; C747-L817 HydrophobicContact CB-CB 4.17Å; I781-L817 HydrophobicContact CG2-CD2 3.89Å; M812-L817 HydrophobicContact CB-CD1 4.27Å; M812-L817 HydrophobicContact CB-CD2 3.9Å; M812-L817 HydrophobicContact CB-CG 3.7Å; M812-L817 HydrophobicContact CE-CD2 4.12Å; M812-L817 HydrophobicContact CE-CG 4.44Å; M812-L817 HydrophobicContact CG-CD2 4.43Å; M812-L817 HydrophobicContact SD-CD2 3.75Å; M812-L817 HydrophobicContact SD-CG 4.44Å; T813-L817 PolarHBondContact O-N 2.61Å; V815-L817 VanDerWaalsContact C-N 3.31Å; V815-L817 PolarHBondContact O-N 2.72Å; L817-Q820 PolarHBondContact O-N 3.39Å; L817-A821 WeakPolarHBondContact O-CB 3.43Å; L817-A821 PolarHBondContact O-N 3.2Å
818	Q	89.2	Confident	89	Confident	42 Å²	42	47.8 Å²	47.8	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-38.8	176.9	-175	59.3	43.7	0	0	111.9	C747 L750 P814 V815 Q820 A821 E822	C747-Q818 HydrophobicContact CB-CB 4.18Å; L750-Q818 HydrophobicContact CD1-CB 3.8Å; L750-Q818 HydrophobicContact CD1-CG 4.34Å; P814-Q818 WeakPolarHBondContact O-CB 3.27Å; P814-Q818 PolarHBondContact O-N 2.91Å; V815-Q818 PolarHBondContact O-N 2.96Å; Q818-Q820 PolarHBondContact O-N 3.11Å; Q818-A821 WeakPolarHBondContact O-CB 3.31Å; Q818-A821 PolarHBondContact O-N 3.42Å; Q818-E822 PolarHBondContact NE2-OE1 2.99Å; Q818-E822 PolarHBondContact O-N 2.93Å; Q818-E822 VanDerWaalsContact O-N 3.07Å
819	Q	86.3	Confident	89.3	Confident	69 Å²	69	49.1 Å²	49.1	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-47.5	172.9	-73.1	172.8	-12.7	0	0	111.1	V815 E816 A821 E822 V823	V815-Q819 WeakPolarHBondContact O-CG 3.28Å; V815-Q819 PolarHBondContact O-N 3.25Å; E816-Q819 PolarHBondContact O-N 2.92Å; Q819-A821 VanDerWaalsContact C-N 3.29Å; Q819-A821 PolarHBondContact O-N 2.94Å; Q819-E822 PolarHBondContact O-N 3.12Å; Q819-E822 VanDerWaalsContact O-N 3.12Å; Q819-V823 PolarHBondContact O-N 3.38Å; Q819-V823 VanDerWaalsContact O-N 3.14Å
820	Q	92.8	Very high	89.8	Confident	29 Å²	29	45 Å²	45	14%	0.136	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-33.8	176.6	-172.5	58.3	46.8	0	0	112.5	A448 Y777 I781 M812 E816 L817 Q818 E822 V823 C824	A448-Q820 PolarHBondContact O-NE2 2.69Å; Y777-Q820 HydrophobicContact CD1-CG 4.19Å; Y777-Q820 HydrophobicContact CE1-CG 3.85Å; I781-Q820 HydrophobicContact CD1-CB 4.45Å; I781-Q820 HydrophobicContact CD1-CG 3.57Å; M812-Q820 HydrophobicContact CE-CB 4.44Å; E816-Q820 PolarHBondContact O-N 3Å; L817-Q820 PolarHBondContact O-N 3.39Å; Q818-Q820 PolarHBondContact O-N 3.11Å; Q820-E822 VanDerWaalsContact C-N 3.29Å; Q820-E822 PolarHBondContact O-N 3.15Å; Q820-V823 WeakPolarHBondContact O-CB 3.43Å; Q820-V823 PolarHBondContact O-N 3.28Å; Q820-C824 PolarHBondContact O-N 3.48Å; Q820-C824 PolarHBondContact O-SG 2.73Å; Q820-C824 VanDerWaalsContact O-SG 3.36Å
821	A	94.6	Very high	90.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-40.5	172.8	0	0	0	0	0	111.6	F626 L817 Q818 Q819 C824 N825	F626-A821 HydrophobicContact CE2-CB 3.68Å; F626-A821 HydrophobicContact CZ-CB 3.85Å; L817-A821 WeakPolarHBondContact O-CB 3.43Å; L817-A821 PolarHBondContact O-N 3.2Å; Q818-A821 WeakPolarHBondContact O-CB 3.31Å; Q818-A821 PolarHBondContact O-N 3.42Å; Q819-A821 VanDerWaalsContact C-N 3.29Å; Q819-A821 PolarHBondContact O-N 2.94Å; A821-C824 PolarHBondContact O-N 3.26Å; A821-N825 WeakPolarHBondContact O-CB 3.32Å; A821-N825 PolarHBondContact O-N 2.81Å; A821-N825 PolarHBondContact O-ND2 3.47Å; A821-N825 VanDerWaalsContact O-ND2 3.1Å
822	E	89.3	Confident	91.3	Very high	44 Å²	44	37.5 Å²	37.5	21%	0.206	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-38.4	175.7	-64.3	-56.1	163.5	0	0	113.2	N73 I111 Q818 Q819 Q820 N825 S826	N73-E822 PolarHBondContact ND2-OE2 3.33Å; N73-E822 PolarHBondContact OD1-OE2 2.97Å; I111-E822 HydrophobicContact CD1-CB 3.63Å; I111-E822 HydrophobicContact CD1-CG 4.22Å; Q818-E822 PolarHBondContact NE2-OE1 2.99Å; Q818-E822 PolarHBondContact O-N 2.93Å; Q818-E822 VanDerWaalsContact O-N 3.07Å; Q819-E822 PolarHBondContact O-N 3.12Å; Q819-E822 VanDerWaalsContact O-N 3.12Å; Q820-E822 VanDerWaalsContact C-N 3.29Å; Q820-E822 PolarHBondContact O-N 3.15Å; E822-N825 PolarHBondContact O-N 3.29Å; E822-S826 VanDerWaalsContact O-CB 3.26Å; E822-S826 WeakPolarHBondContact O-CB 3.31Å; E822-S826 PolarHBondContact O-N 3.33Å
823	V	91.9	Very high	91.7	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-57.8	-51.1	170.9	-177.9	0	0	0	0	110.1	Q215 L217 A451 Q819 Q820 N825 S826 K827	Q215-V823 VanDerWaalsContact NE2-CG2 3.26Å; L217-V823 HydrophobicContact CD2-CG2 4.08Å; A451-V823 HydrophobicContact CB-CG1 4.31Å; Q819-V823 PolarHBondContact O-N 3.38Å; Q819-V823 VanDerWaalsContact O-N 3.14Å; Q820-V823 WeakPolarHBondContact O-CB 3.43Å; Q820-V823 PolarHBondContact O-N 3.28Å; V823-N825 VanDerWaalsContact C-N 3.34Å; V823-N825 PolarHBondContact O-N 3.08Å; V823-S826 PolarHBondContact O-N 3.28Å; V823-K827 HydrophobicContact CG1-CG 4.14Å; V823-K827 WeakPolarHBondContact O-CB 3.39Å; V823-K827 VanDerWaalsContact O-CG 3.3Å; V823-K827 WeakPolarHBondContact O-CG 3.38Å; V823-K827 PolarHBondContact O-N 3.3Å
824	C	96.8	Very high	92.1	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.027	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-41.9	179.4	-69.5	0	0	0	0	112.1	Y745 Q820 A821 K828	Y745-C824 HydrophobicContact CD2-CB 3.55Å; Y745-C824 HydrophobicContact CE2-CB 3.84Å; Y745-C824 HydrophobicContact CG-CB 4.39Å; Q820-C824 PolarHBondContact O-N 3.48Å; Q820-C824 PolarHBondContact O-SG 2.73Å; Q820-C824 VanDerWaalsContact O-SG 3.36Å; A821-C824 PolarHBondContact O-N 3.26Å; C824-K828 WeakPolarHBondContact O-CB 3.43Å; C824-K828 PolarHBondContact O-N 3.18Å
825	N	94.5	Very high	92.4	Very high	20 Å²	20	36.5 Å²	36.5	11%	0.107	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-48.2	176.7	-72.2	-32.1	0	0	0	111.8	V744 Y745 A821 E822 V823 K828 L829	V744-N825 WeakPolarHBondContact CA-OD1 3.5Å; Y745-N825 WeakPolarHBondContact CD2-OD1 3.39Å; Y745-N825 PolarHBondContact N-OD1 2.79Å; Y745-N825 PolarHBondContact O-ND2 3.46Å; A821-N825 WeakPolarHBondContact O-CB 3.32Å; A821-N825 PolarHBondContact O-N 2.81Å; A821-N825 PolarHBondContact O-ND2 3.47Å; A821-N825 VanDerWaalsContact O-ND2 3.1Å; E822-N825 PolarHBondContact O-N 3.29Å; V823-N825 VanDerWaalsContact C-N 3.34Å; V823-N825 PolarHBondContact O-N 3.08Å; N825-K828 PolarHBondContact O-N 3.06Å; N825-L829 PolarHBondContact O-N 3.27Å
826	S	90.1	Very high	92.9	Very high	8 Å²	8	38.7 Å²	38.7	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-52.1	-179.6	-178.2	0	0	0	0	111.5	E822 V823 K828 L829 S830	E822-S826 VanDerWaalsContact O-CB 3.26Å; E822-S826 WeakPolarHBondContact O-CB 3.31Å; E822-S826 PolarHBondContact O-N 3.33Å; V823-S826 PolarHBondContact O-N 3.28Å; S826-K828 VanDerWaalsContact C-N 3.31Å; S826-K828 PolarHBondContact O-N 3.5Å; S826-L829 WeakPolarHBondContact O-CB 3.35Å; S826-L829 PolarHBondContact O-N 2.88Å; S826-L829 VanDerWaalsContact O-N 3.14Å; S826-S830 PolarHBondContact O-N 3.46Å; S826-S830 PolarHBondContact O-OG 3.1Å
827	K	94	Very high	93.2	Very high	47 Å²	47	38.8 Å²	38.8	20%	0.204	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-36.6	178.6	-66.8	-68.4	-177.8	173.5	0	112.2	S449 A451 T452 V823 L829 S830 A831	S449-K827 VanDerWaalsContact O-CE 3.29Å; S449-K827 WeakPolarHBondContact O-CE 3.24Å; A451-K827 HydrophobicContact CB-CB 3.89Å; A451-K827 HydrophobicContact CB-CG 4Å; T452-K827 HydrophobicContact CG2-CB 4.22Å; V823-K827 HydrophobicContact CG1-CG 4.14Å; V823-K827 WeakPolarHBondContact O-CB 3.39Å; V823-K827 VanDerWaalsContact O-CG 3.3Å; V823-K827 WeakPolarHBondContact O-CG 3.38Å; V823-K827 PolarHBondContact O-N 3.3Å; K827-L829 VanDerWaalsContact C-N 3.35Å; K827-L829 PolarHBondContact O-N 3.39Å; K827-S830 PolarHBondContact O-N 3.15Å; K827-A831 WeakPolarHBondContact O-CB 3.28Å; K827-A831 PolarHBondContact O-N 3.08Å
828	K	95.8	Very high	93.3	Very high	69 Å²	69	38.7 Å²	38.7	30%	0.3	19%	0.191	S	C	.	.	H	α-helix	trans	-63.8	-40	174.7	-174.9	59.6	175	178.1	0	112.3	C824 N825 S826 R832	C824-K828 WeakPolarHBondContact O-CB 3.43Å; C824-K828 PolarHBondContact O-N 3.18Å; N825-K828 PolarHBondContact O-N 3.06Å; S826-K828 VanDerWaalsContact C-N 3.31Å; S826-K828 PolarHBondContact O-N 3.5Å; K828-R832 WeakPolarHBondContact O-CB 3.45Å; K828-R832 PolarHBondContact O-N 3.3Å; K828-R832 VanDerWaalsContact O-N 3.08Å
829	L	93	Very high	93.6	Very high	60 Å²	60	38 Å²	38	31%	0.314	19%	0.192	S	C	.	.	H	α-helix	trans	-65.9	-47	174.8	178.8	59.4	0	0	0	111.2	L742 N825 S826 K827 A831 R832 L833	L742-L829 HydrophobicContact CD1-CD1 4Å; N825-L829 PolarHBondContact O-N 3.27Å; S826-L829 WeakPolarHBondContact O-CB 3.35Å; S826-L829 PolarHBondContact O-N 2.88Å; S826-L829 VanDerWaalsContact O-N 3.14Å; K827-L829 VanDerWaalsContact C-N 3.35Å; K827-L829 PolarHBondContact O-N 3.39Å; L829-A831 VanDerWaalsContact C-N 3.34Å; L829-A831 PolarHBondContact O-N 3.47Å; L829-R832 WeakPolarHBondContact O-CB 3.37Å; L829-R832 PolarHBondContact O-N 3.33Å; L829-L833 HydrophobicContact CD1-CD1 4.29Å; L829-L833 HydrophobicContact CD1-CG 4.24Å; L829-L833 HydrophobicContact CG-CD1 4.19Å; L829-L833 WeakPolarHBondContact O-CG 3.38Å; L829-L833 PolarHBondContact O-N 2.99Å
830	S	92.9	Very high	93.9	Very high	22 Å²	22	38.2 Å²	38.2	15%	0.154	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-43.8	176.6	-64.9	0	0	0	0	112.5	S826 K827 R832 L833 A834	S826-S830 PolarHBondContact O-N 3.46Å; S826-S830 PolarHBondContact O-OG 3.1Å; K827-S830 PolarHBondContact O-N 3.15Å; S830-R832 VanDerWaalsContact C-N 3.33Å; S830-R832 PolarHBondContact O-N 3.17Å; S830-L833 PolarHBondContact O-N 3.03Å; S830-A834 WeakPolarHBondContact O-CB 3.37Å; S830-A834 PolarHBondContact O-N 3.02Å
831	A	96.1	Very high	93.8	Very high	9 Å²	9	37 Å²	37	7%	0.074	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-39.1	176.8	0	0	0	0	0	112.4	T452 I454 K827 L829 G835	T452-A831 HydrophobicContact CG2-CB 3.69Å; I454-A831 HydrophobicContact CB-CB 4.42Å; I454-A831 HydrophobicContact CG1-CB 3.86Å; I454-A831 HydrophobicContact CG2-CB 4.41Å; K827-A831 WeakPolarHBondContact O-CB 3.28Å; K827-A831 PolarHBondContact O-N 3.08Å; L829-A831 VanDerWaalsContact C-N 3.34Å; L829-A831 PolarHBondContact O-N 3.47Å; A831-G835 PolarHBondContact O-N 2.84Å; A831-G835 VanDerWaalsContact O-N 3.09Å
832	R	95.2	Very high	93.8	Very high	106 Å²	106	37 Å²	37	40%	0.4	19%	0.188	S	C	.	.	H	α-helix	trans	-63.8	-49.4	175.1	176.2	-175.1	170.2	168.3	4.3	111.4	K828 L829 S830 A834 G835 E836	K828-R832 WeakPolarHBondContact O-CB 3.45Å; K828-R832 PolarHBondContact O-N 3.3Å; K828-R832 VanDerWaalsContact O-N 3.08Å; L829-R832 WeakPolarHBondContact O-CB 3.37Å; L829-R832 PolarHBondContact O-N 3.33Å; S830-R832 VanDerWaalsContact C-N 3.33Å; S830-R832 PolarHBondContact O-N 3.17Å; R832-A834 VanDerWaalsContact C-N 3.28Å; R832-A834 PolarHBondContact O-N 3.29Å; R832-G835 PolarHBondContact O-N 3.1Å; R832-E836 IonicContact CZ-OE1 2.89Å; R832-E836 VanDerWaalsContact CZ-OE1 3.29Å; R832-E836 IonicContact NE-OE1 3.77Å; R832-E836 PolarHBondContact NE-OE1 2.82Å; R832-E836 IonicContact NH2-OE1 3.72Å; R832-E836 PolarHBondContact NH2-OE1 2.8Å; R832-E836 WeakPolarHBondContact O-CG 3.48Å; R832-E836 PolarHBondContact O-N 3.24Å
833	L	93.6	Very high	94	Very high	85 Å²	85	35 Å²	35	45%	0.445	18%	0.178	S	C	.	.	H	α-helix	trans	-61.6	-39.1	179.5	-68.2	173.8	0	0	0	111.2	L829 S830 G835 E836 E837	L829-L833 HydrophobicContact CD1-CD1 4.29Å; L829-L833 HydrophobicContact CD1-CG 4.24Å; L829-L833 HydrophobicContact CG-CD1 4.19Å; L829-L833 WeakPolarHBondContact O-CG 3.38Å; L829-L833 PolarHBondContact O-N 2.99Å; S830-L833 PolarHBondContact O-N 3.03Å; L833-G835 PolarHBondContact O-N 2.88Å; L833-E836 PolarHBondContact O-N 2.8Å; L833-E837 WeakPolarHBondContact O-CG 3.5Å; L833-E837 PolarHBondContact O-N 3.47Å
834	A	95.5	Very high	94	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-42.8	174.7	0	0	0	0	0	112.6	I336 A340 I454 L456 S830 R832 E837 S838	I336-A834 HydrophobicContact CG2-CB 3.6Å; A340-A834 HydrophobicContact CB-CB 4.35Å; I454-A834 HydrophobicContact CG2-CB 3.81Å; L456-A834 HydrophobicContact CD2-CB 4.09Å; S830-A834 WeakPolarHBondContact O-CB 3.37Å; S830-A834 PolarHBondContact O-N 3.02Å; R832-A834 VanDerWaalsContact C-N 3.28Å; R832-A834 PolarHBondContact O-N 3.29Å; A834-E837 PolarHBondContact O-N 3.5Å; A834-S838 WeakPolarHBondContact O-CB 3.45Å; A834-S838 PolarHBondContact O-N 3.26Å
835	G	96.2	Very high	93.7	Very high	20 Å²	20	34.9 Å²	34.9	21%	0.206	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-40.9	174.5	0	0	0	0	0	113	Y455 A831 R832 L833 S838 A839	Y455-G835 WeakPolarHBondContact O-CA 3.47Å; A831-G835 PolarHBondContact O-N 2.84Å; A831-G835 VanDerWaalsContact O-N 3.09Å; R832-G835 PolarHBondContact O-N 3.1Å; L833-G835 PolarHBondContact O-N 2.88Å; G835-S838 PolarHBondContact O-N 3.42Å; G835-A839 PolarHBondContact O-N 2.82Å
836	E	93.6	Very high	93.6	Very high	88 Å²	88	34 Å²	34	41%	0.411	17%	0.172	S	C	.	.	H	α-helix	trans	-64.8	-43.3	175.7	-71.6	174.8	-179.1	0	0	111.7	R832 L833 A839 E840	R832-E836 IonicContact CZ-OE1 2.89Å; R832-E836 VanDerWaalsContact CZ-OE1 3.29Å; R832-E836 IonicContact NE-OE1 3.77Å; R832-E836 PolarHBondContact NE-OE1 2.82Å; R832-E836 IonicContact NH2-OE1 3.72Å; R832-E836 PolarHBondContact NH2-OE1 2.8Å; R832-E836 WeakPolarHBondContact O-CG 3.48Å; R832-E836 PolarHBondContact O-N 3.24Å; L833-E836 PolarHBondContact O-N 2.8Å; E836-A839 PolarHBondContact O-N 3.22Å; E836-E840 PolarHBondContact O-N 2.63Å
837	E	93.3	Very high	93.6	Very high	81 Å²	81	33.7 Å²	33.7	38%	0.379	17%	0.17	S	C	.	.	H	α-helix	trans	-66.6	-35.6	175.3	-73	-165.3	173.9	0	0	112.6	R335 I336 L833 A834 E840 L841	R335-E837 IonicContact CZ-OE2 3.94Å; R335-E837 VanDerWaalsContact CZ-OE2 3.31Å; R335-E837 IonicContact NH1-OE1 3.95Å; R335-E837 IonicContact NH1-OE2 3.59Å; R335-E837 PolarHBondContact NH1-OE2 3.43Å; R335-E837 IonicContact NH2-OE2 3.55Å; R335-E837 PolarHBondContact NH2-OE2 3.02Å; I336-E837 HydrophobicContact CD1-CB 4.09Å; I336-E837 HydrophobicContact CG1-CB 3.94Å; I336-E837 HydrophobicContact CG2-CB 4.47Å; L833-E837 WeakPolarHBondContact O-CG 3.5Å; L833-E837 PolarHBondContact O-N 3.47Å; A834-E837 PolarHBondContact O-N 3.5Å; E837-E840 PolarHBondContact O-N 3.43Å; E837-L841 WeakPolarHBondContact O-CB 3.31Å; E837-L841 PolarHBondContact O-N 3.04Å
838	S	95.4	Very high	93.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-44.6	174.8	175	0	0	0	0	111.3	L456 V457 A834 G835 E840 L841 F842	L456-S838 WeakPolarHBondContact CB-OG 3.43Å; V457-S838 PolarHBondContact N-OG 3.2Å; A834-S838 WeakPolarHBondContact O-CB 3.45Å; A834-S838 PolarHBondContact O-N 3.26Å; G835-S838 PolarHBondContact O-N 3.42Å; S838-E840 VanDerWaalsContact C-N 3.29Å; S838-E840 PolarHBondContact O-N 2.72Å; S838-L841 WeakPolarHBondContact O-CB 3.27Å; S838-L841 PolarHBondContact O-N 3.12Å; S838-F842 WeakPolarHBondContact O-CD2 3.3Å; S838-F842 PolarHBondContact O-N 3.05Å
839	A	93.9	Very high	92.9	Very high	27 Å²	27	37.5 Å²	37.5	22%	0.223	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-40.3	174.4	0	0	0	0	0	111.9	V457 F578 G835 E836 F843	V457-A839 HydrophobicContact CG2-CB 4.4Å; F578-A839 HydrophobicContact CE2-CB 4.26Å; F578-A839 VanDerWaalsContact CZ-O 3.31Å; F578-A839 WeakPolarHBondContact CZ-O 3.49Å; G835-A839 PolarHBondContact O-N 2.82Å; E836-A839 PolarHBondContact O-N 3.22Å; A839-F843 WeakPolarHBondContact O-CB 3.27Å; A839-F843 PolarHBondContact O-N 3.14Å
840	E	92.5	Very high	92.7	Very high	75 Å²	75	36.6 Å²	36.6	35%	0.35	19%	0.185	S	C	.	.	H	α-helix	trans	-65.4	-42	175	-178.7	165.9	165.8	0	0	112.5	E836 E837 S838 F842 F843 V844 K878 L986	E836-E840 PolarHBondContact O-N 2.63Å; E837-E840 PolarHBondContact O-N 3.43Å; S838-E840 VanDerWaalsContact C-N 3.29Å; S838-E840 PolarHBondContact O-N 2.72Å; E840-F842 PolarHBondContact O-N 2.81Å; E840-F843 PolarHBondContact O-N 2.83Å; E840-V844 HydrophobicContact CG-CG2 4.5Å; E840-V844 VanDerWaalsContact O-CG2 3.29Å; E840-V844 WeakPolarHBondContact O-CG2 3.4Å; E840-V844 PolarHBondContact O-N 3.25Å; E840-K878 IonicContact OE1-NZ 3.31Å; E840-K878 PolarHBondContact OE1-NZ 3.5Å; E840-K878 IonicContact OE2-NZ 3.69Å; E840-K878 PolarHBondContact OE2-NZ 3.34Å; E840-L986 HydrophobicContact CG-CD1 4.5Å
841	L	92.6	Very high	92.4	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-56.2	-50.5	174.9	169.7	63.6	0	0	0	111.2	E332 I336 E837 S838 F843 V844 L845 L983	E332-L841 HydrophobicContact CB-CD1 3.77Å; E332-L841 HydrophobicContact CB-CD2 3.63Å; E332-L841 HydrophobicContact CB-CG 4.36Å; E332-L841 HydrophobicContact CG-CD1 4.2Å; I336-L841 HydrophobicContact CD1-CD2 4.14Å; E837-L841 WeakPolarHBondContact O-CB 3.31Å; E837-L841 PolarHBondContact O-N 3.04Å; S838-L841 WeakPolarHBondContact O-CB 3.27Å; S838-L841 PolarHBondContact O-N 3.12Å; L841-F843 VanDerWaalsContact C-N 3.3Å; L841-F843 PolarHBondContact O-N 3.45Å; L841-V844 WeakPolarHBondContact O-CB 3.23Å; L841-V844 PolarHBondContact O-N 3.18Å; L841-L845 HydrophobicContact CD1-CD1 4.16Å; L841-L845 HydrophobicContact CD1-CG 4.27Å; L841-L845 HydrophobicContact CG-CD1 4.2Å; L841-L845 WeakPolarHBondContact O-CG 3.32Å; L841-L845 PolarHBondContact O-N 2.7Å; L841-L983 HydrophobicContact CD1-CD1 3.44Å; L841-L983 VanDerWaalsContact CD1-CD1 3.44Å; L841-L983 HydrophobicContact CD1-CD2 4.13Å; L841-L983 HydrophobicContact CD1-CG 4.42Å
842	F	93.8	Very high	92.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-30.7	-179.5	-82.8	-99.8	0	0	0	112.3	I329 V457 Q458 F578 L580 P587 S838 E840 L845 F846	I329-F842 HydrophobicContact CG2-CE2 4.44Å; I329-F842 HydrophobicContact CG2-CZ 3.96Å; V457-F842 HydrophobicContact CB-CB 4.45Å; V457-F842 HydrophobicContact CB-CD1 4.33Å; V457-F842 HydrophobicContact CB-CD2 3.62Å; V457-F842 HydrophobicContact CB-CE2 3.86Å; V457-F842 HydrophobicContact CB-CG 3.86Å; V457-F842 HydrophobicContact CB-CZ 4.32Å; V457-F842 HydrophobicContact CG1-CB 4.17Å; V457-F842 HydrophobicContact CG1-CD1 3.7Å; V457-F842 HydrophobicContact CG1-CD2 3.92Å; V457-F842 HydrophobicContact CG1-CE1 4.02Å; V457-F842 HydrophobicContact CG1-CE2 4.23Å; V457-F842 HydrophobicContact CG1-CG 3.64Å; V457-F842 HydrophobicContact CG1-CZ 4.27Å; V457-F842 HydrophobicContact CG2-CB 4.16Å; V457-F842 HydrophobicContact CG2-CD2 3.88Å; V457-F842 HydrophobicContact CG2-CG 4.07Å; Q458-F842 HydrophobicContact CB-CE1 4.42Å; Q458-F842 HydrophobicContact CB-CZ 3.81Å; Q458-F842 HydrophobicContact CG-CZ 3.96Å; F578-F842 HydrophobicContact CD1-CB 3.86Å; F578-F842 HydrophobicContact CD2-CB 4.3Å; F578-F842 HydrophobicContact CE1-CB 3.66Å; F578-F842 HydrophobicContact CE2-CB 4.14Å; F578-F842 HydrophobicContact CG-CB 4.17Å; F578-F842 HydrophobicContact CZ-CB 3.82Å; L580-F842 HydrophobicContact CD1-CE1 3.93Å; L580-F842 HydrophobicContact CD2-CD1 3.6Å; L580-F842 HydrophobicContact CD2-CE1 3.61Å; L580-F842 HydrophobicContact CG-CE1 4.44Å; P587-F842 HydrophobicContact CB-CD1 4.38Å; P587-F842 HydrophobicContact CG-CD1 4.45Å; P587-F842 WeakPolarHBondContact CG-O 3.47Å; S838-F842 WeakPolarHBondContact O-CD2 3.3Å; S838-F842 PolarHBondContact O-N 3.05Å; E840-F842 PolarHBondContact O-N 2.81Å; F842-L845 PolarHBondContact O-N 2.82Å; F842-F846 WeakPolarHBondContact O-CB 3.47Å; F842-F846 PolarHBondContact O-N 3Å
843	F	92.8	Very high	91.7	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-43.2	170.6	-173.5	-96.4	0	0	0	112.2	F578 I590 A839 E840 L841 L845 F846 V847 F853 I871 C874 L876 V962 L986	F578-F843 HydrophobicContact CE1-CB 4.43Å; F578-F843 HydrophobicContact CZ-CB 4.33Å; I590-F843 HydrophobicContact CD1-CD2 3.48Å; I590-F843 VanDerWaalsContact CD1-CD2 3.48Å; I590-F843 HydrophobicContact CD1-CE2 3.98Å; A839-F843 WeakPolarHBondContact O-CB 3.27Å; A839-F843 PolarHBondContact O-N 3.14Å; E840-F843 PolarHBondContact O-N 2.83Å; L841-F843 VanDerWaalsContact C-N 3.3Å; L841-F843 PolarHBondContact O-N 3.45Å; F843-L845 VanDerWaalsContact C-N 3.34Å; F843-L845 PolarHBondContact O-N 3.06Å; F843-F846 PolarHBondContact O-N 3.23Å; F843-V847 HydrophobicContact CD1-CG2 4.09Å; F843-V847 HydrophobicContact CE1-CG2 3.77Å; F843-V847 HydrophobicContact CZ-CG2 4.09Å; F843-V847 VanDerWaalsContact O-CG2 3.25Å; F843-V847 WeakPolarHBondContact O-CG2 3.49Å; F843-V847 PolarHBondContact O-N 3.43Å; F843-F853 HydrophobicContact CE2-CZ 4.45Å; F843-F853 HydrophobicContact CZ-CZ 4.08Å; F843-I871 HydrophobicContact CE1-CD1 4.4Å; F843-I871 HydrophobicContact CZ-CD1 4.41Å; F843-C874 HydrophobicContact CD2-CB 3.97Å; F843-C874 HydrophobicContact CE2-CB 3.74Å; F843-C874 VanDerWaalsContact CE2-SG 3.53Å; F843-L876 HydrophobicContact CB-CD1 4.08Å; F843-L876 HydrophobicContact CD1-CD1 3.44Å; F843-L876 VanDerWaalsContact CD1-CD1 3.44Å; F843-L876 HydrophobicContact CD2-CD1 4.23Å; F843-L876 HydrophobicContact CE1-CD1 3.86Å; F843-L876 HydrophobicContact CG-CD1 3.64Å; F843-L876 HydrophobicContact CZ-CD1 4.43Å; F843-V962 HydrophobicContact CE1-CG1 3.95Å; F843-V962 HydrophobicContact CZ-CG1 4.21Å; F843-L986 HydrophobicContact CD1-CD1 3.58Å; F843-L986 HydrophobicContact CD1-CD2 3.8Å; F843-L986 HydrophobicContact CD1-CG 4.32Å; F843-L986 HydrophobicContact CE1-CD1 3.94Å; F843-L986 HydrophobicContact CE1-CD2 3.85Å
844	V	92	Very high	91.3	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-58.6	-47	174.4	169.6	0	0	0	0	111	E840 L841 F846 V847 K848 V964 L983 P984 L986	E840-V844 HydrophobicContact CG-CG2 4.5Å; E840-V844 VanDerWaalsContact O-CG2 3.29Å; E840-V844 WeakPolarHBondContact O-CG2 3.4Å; E840-V844 PolarHBondContact O-N 3.25Å; L841-V844 WeakPolarHBondContact O-CB 3.23Å; L841-V844 PolarHBondContact O-N 3.18Å; V844-F846 VanDerWaalsContact C-N 3.33Å; V844-V847 PolarHBondContact O-N 3.14Å; V844-K848 WeakPolarHBondContact O-CB 3.33Å; V844-K848 PolarHBondContact O-N 2.93Å; V844-V964 HydrophobicContact CG1-CG2 4.47Å; V844-L983 HydrophobicContact CB-CD2 4.44Å; V844-L983 HydrophobicContact CG1-CD2 4.16Å; V844-L983 HydrophobicContact CG1-CG 4.49Å; V844-L983 HydrophobicContact CG2-CD2 4.24Å; V844-P984 HydrophobicContact CG1-CB 4.36Å; V844-P984 WeakPolarHBondContact CG1-O 2.96Å; V844-L986 HydrophobicContact CG2-CD1 4.04Å; V844-L986 HydrophobicContact CG2-CD2 4.01Å; V844-L986 HydrophobicContact CG2-CG 3.67Å
845	L	91.1	Very high	90.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-42.5	178.9	-68	174	0	0	0	111	L328 I329 P587 L841 F842 F843 V847 K848 E849	L328-L845 HydrophobicContact CD2-CD2 3.61Å; L328-L845 HydrophobicContact CG-CD2 4.34Å; I329-L845 HydrophobicContact CD1-CD1 4.21Å; I329-L845 HydrophobicContact CG1-CD1 3.56Å; P587-L845 HydrophobicContact CG-CB 3.87Å; L841-L845 HydrophobicContact CD1-CD1 4.16Å; L841-L845 HydrophobicContact CD1-CG 4.27Å; L841-L845 HydrophobicContact CG-CD1 4.2Å; L841-L845 WeakPolarHBondContact O-CG 3.32Å; L841-L845 PolarHBondContact O-N 2.7Å; F842-L845 PolarHBondContact O-N 2.82Å; F843-L845 VanDerWaalsContact C-N 3.34Å; F843-L845 PolarHBondContact O-N 3.06Å; L845-V847 PolarHBondContact O-N 3.27Å; L845-K848 WeakPolarHBondContact O-CB 3.41Å; L845-K848 PolarHBondContact O-N 3.02Å; L845-K848 VanDerWaalsContact O-N 3.13Å; L845-E849 WeakPolarHBondContact O-CG 3.29Å; L845-E849 PolarHBondContact O-N 2.99Å
846	F	91.4	Very high	90.2	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-50.8	175.3	177.9	-103.2	0	0	0	111.8	P587 I590 M690 F842 F843 V844 K848 E849 T850 F853	P587-F846 HydrophobicContact CB-CB 4.08Å; P587-F846 HydrophobicContact CB-CD2 4.39Å; P587-F846 HydrophobicContact CG-CB 3.78Å; I590-F846 HydrophobicContact CG2-CD1 4.02Å; I590-F846 HydrophobicContact CG2-CE1 3.7Å; I590-F846 HydrophobicContact CG2-CZ 3.97Å; M690-F846 HydrophobicContact CE-CE2 4.48Å; M690-F846 HydrophobicContact CE-CZ 4.18Å; M690-F846 HydrophobicContact SD-CZ 3.92Å; F842-F846 WeakPolarHBondContact O-CB 3.47Å; F842-F846 PolarHBondContact O-N 3Å; F843-F846 PolarHBondContact O-N 3.23Å; V844-F846 VanDerWaalsContact C-N 3.33Å; F846-K848 PolarHBondContact O-N 3.46Å; F846-E849 PolarHBondContact O-N 3.14Å; F846-E849 VanDerWaalsContact O-N 3.15Å; F846-T850 HydrophobicContact CD1-CG2 4.45Å; F846-T850 HydrophobicContact CD2-CG2 3.98Å; F846-T850 HydrophobicContact CE1-CG2 4.07Å; F846-T850 HydrophobicContact CE2-CG2 3.55Å; F846-T850 HydrophobicContact CG-CG2 4.42Å; F846-T850 HydrophobicContact CZ-CG2 3.6Å; F846-T850 WeakPolarHBondContact O-CG2 3.41Å; F846-T850 PolarHBondContact O-N 3.13Å; F846-T850 PolarHBondContact O-OG1 3.29Å; F846-T850 VanDerWaalsContact O-OG1 3.05Å; F846-F853 HydrophobicContact CD1-CE1 4.18Å; F846-F853 HydrophobicContact CD1-CZ 4.45Å; F846-F853 HydrophobicContact CE1-CE1 4.03Å; F846-F853 HydrophobicContact CE1-CZ 4.29Å
847	V	91.3	Very high	90	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-34.5	177.5	-175.9	0	0	0	0	111.5	F843 V844 L845 G851 F853 V962 V964 L986	F843-V847 HydrophobicContact CD1-CG2 4.09Å; F843-V847 HydrophobicContact CE1-CG2 3.77Å; F843-V847 HydrophobicContact CZ-CG2 4.09Å; F843-V847 VanDerWaalsContact O-CG2 3.25Å; F843-V847 WeakPolarHBondContact O-CG2 3.49Å; F843-V847 PolarHBondContact O-N 3.43Å; V844-V847 PolarHBondContact O-N 3.14Å; L845-V847 PolarHBondContact O-N 3.27Å; V847-G851 CarbonylContact O-C 3.43Å; V847-G851 WeakPolarHBondContact O-CA 3.25Å; V847-G851 PolarHBondContact O-N 2.84Å; V847-G851 VanDerWaalsContact O-O 3.1Å; V847-F853 HydrophobicContact CB-CE1 3.99Å; V847-F853 HydrophobicContact CG1-CD1 4.34Å; V847-F853 HydrophobicContact CG1-CE1 3.98Å; V847-F853 HydrophobicContact CG2-CE1 3.49Å; V847-F853 VanDerWaalsContact CG2-CE1 3.49Å; V847-F853 HydrophobicContact CG2-CZ 3.69Å; V847-V962 HydrophobicContact CG1-CG1 4.28Å; V847-V962 HydrophobicContact CG2-CG1 3.94Å; V847-V964 HydrophobicContact CB-CG2 3.85Å; V847-V964 HydrophobicContact CG1-CG2 3.76Å; V847-L986 HydrophobicContact CB-CD2 4.44Å; V847-L986 HydrophobicContact CG2-CD2 3.94Å
848	K	88.4	Confident	90	Very high	95 Å²	95	29.5 Å²	29.5	41%	0.413	16%	0.163	S	C	.	.	H	α-helix	trans	-65.7	-43.5	176.5	-172	-171.7	175.4	-165.1	0	111.5	V844 L845 F846 V964	V844-K848 WeakPolarHBondContact O-CB 3.33Å; V844-K848 PolarHBondContact O-N 2.93Å; L845-K848 WeakPolarHBondContact O-CB 3.41Å; L845-K848 PolarHBondContact O-N 3.02Å; L845-K848 VanDerWaalsContact O-N 3.13Å; F846-K848 PolarHBondContact O-N 3.46Å; K848-V964 HydrophobicContact CB-CG2 4.29Å
849	E	87.1	Confident	89.8	Confident	101 Å²	101	29.5 Å²	29.5	47%	0.472	16%	0.163	S	C	.	.	H	α-helix	trans	-74.6	-38.2	-179.3	-64.3	-51.2	124.5	0	0	112.5	L586 L845 F846	L586-E849 HydrophobicContact CD1-CG 4.41Å; L586-E849 HydrophobicContact CD2-CG 4.32Å; L845-E849 WeakPolarHBondContact O-CG 3.29Å; L845-E849 PolarHBondContact O-N 2.99Å; F846-E849 PolarHBondContact O-N 3.14Å; F846-E849 VanDerWaalsContact O-N 3.15Å
850	T	87.3	Confident	89.8	Confident	42 Å²	42	28.4 Å²	28.4	26%	0.258	15%	0.154	S	C	.	.	H	α-helix	trans	-81.5	-16.6	178.9	60.9	0	0	0	0	113.8	V693 F846	V693-T850 HydrophobicContact CG1-CG2 3.95Å; F846-T850 HydrophobicContact CD1-CG2 4.45Å; F846-T850 HydrophobicContact CD2-CG2 3.98Å; F846-T850 HydrophobicContact CE1-CG2 4.07Å; F846-T850 HydrophobicContact CE2-CG2 3.55Å; F846-T850 HydrophobicContact CG-CG2 4.42Å; F846-T850 HydrophobicContact CZ-CG2 3.6Å; F846-T850 WeakPolarHBondContact O-CG2 3.41Å; F846-T850 PolarHBondContact O-N 3.13Å; F846-T850 PolarHBondContact O-OG1 3.29Å; F846-T850 VanDerWaalsContact O-OG1 3.05Å
851	G	87.6	Confident	89.8	Confident	23 Å²	23	26.8 Å²	26.8	24%	0.237	15%	0.151	C	C	.	.			trans	77.7	177.1	-165.9	0	0	0	0	0	113.1	V847 F853	V847-G851 CarbonylContact O-C 3.43Å; V847-G851 WeakPolarHBondContact O-CA 3.25Å; V847-G851 PolarHBondContact O-N 2.84Å; V847-G851 VanDerWaalsContact O-O 3.1Å; G851-F853 WeakPolarHBondContact O-CD1 3.42Å
852	P	89.6	Confident	89.9	Confident	96 Å²	96	27.9 Å²	27.9	62%	0.623	16%	0.156	S	C	*	.			trans	-64.1	141.4	-179.2	28.9	-35.5	0	0	0	111.4	V962	P852-V962 WeakPolarHBondContact CA-O 3.41Å
853	F	86.2	Confident	89.8	Confident	19 Å²	19	30.6 Å²	30.6	8%	0.083	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.4	-179.2	58.9	-106	0	0	0	112.4	F689 F843 F846 V847 G851 E855 C961 V962	F689-F853 HydrophobicContact CE1-CD2 4.4Å; F689-F853 HydrophobicContact CE1-CE2 4.46Å; F689-F853 HydrophobicContact CE2-CB 3.81Å; F689-F853 AromaticContact CE2-CD2 3.33Å; F689-F853 HydrophobicContact CE2-CD2 3.33Å; F689-F853 HydrophobicContact CE2-CE2 4.02Å; F689-F853 AromaticContact CE2-CG 3.78Å; F689-F853 HydrophobicContact CE2-CG 3.78Å; F689-F853 HydrophobicContact CZ-CB 3.83Å; F689-F853 HydrophobicContact CZ-CD1 4.08Å; F689-F853 AromaticContact CZ-CD2 3.19Å; F689-F853 HydrophobicContact CZ-CD2 3.19Å; F689-F853 HydrophobicContact CZ-CE1 4.39Å; F689-F853 AromaticContact CZ-CE2 3.57Å; F689-F853 HydrophobicContact CZ-CE2 3.57Å; F689-F853 AromaticContact CZ-CG 3.46Å; F689-F853 HydrophobicContact CZ-CG 3.46Å; F689-F853 VanDerWaalsContact CZ-CG 3.46Å; F689-F853 HydrophobicContact CZ-CZ 4.17Å; F843-F853 HydrophobicContact CE2-CZ 4.45Å; F843-F853 HydrophobicContact CZ-CZ 4.08Å; F846-F853 HydrophobicContact CD1-CE1 4.18Å; F846-F853 HydrophobicContact CD1-CZ 4.45Å; F846-F853 HydrophobicContact CE1-CE1 4.03Å; F846-F853 HydrophobicContact CE1-CZ 4.29Å; V847-F853 HydrophobicContact CB-CE1 3.99Å; V847-F853 HydrophobicContact CG1-CD1 4.34Å; V847-F853 HydrophobicContact CG1-CE1 3.98Å; V847-F853 HydrophobicContact CG2-CE1 3.49Å; V847-F853 VanDerWaalsContact CG2-CE1 3.49Å; V847-F853 HydrophobicContact CG2-CZ 3.69Å; G851-F853 WeakPolarHBondContact O-CD1 3.42Å; F853-E855 HydrophobicContact CD2-CG 3.73Å; F853-E855 HydrophobicContact CE2-CG 3.47Å; F853-E855 VanDerWaalsContact CE2-CG 3.47Å; F853-C961 CarbonylContact O-C 3.54Å; F853-C961 WeakPolarHBondContact O-CA 3.48Å; F853-V962 HydrophobicContact CD2-CB 4.22Å; F853-V962 HydrophobicContact CE2-CB 3.96Å; F853-V962 HydrophobicContact CE2-CG1 4.38Å; F853-V962 HydrophobicContact CE2-CG2 4.31Å; F853-V962 HydrophobicContact CZ-CB 4.34Å; F853-V962 HydrophobicContact CZ-CG1 4.3Å; F853-V962 PolarHBondContact N-O 3.29Å; F853-V962 PolarHBondContact O-N 3Å
854	N	86.5	Confident	89.9	Confident	95 Å²	95	34.8 Å²	34.8	51%	0.508	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.4	-177.2	-62.1	-26.7	0	0	0	110.7	F689 C960 L991	F689-N854 WeakPolarHBondContact CD2-O 3.38Å; F689-N854 WeakPolarHBondContact CE2-O 3.28Å; N854-C960 CarbonylContact C-O 3.47Å; N854-C960 WeakPolarHBondContact CA-O 3.35Å; N854-L991 HydrophobicContact CB-CD1 3.86Å; N854-L991 VanDerWaalsContact OD1-CD1 3.23Å; N854-L991 WeakPolarHBondContact OD1-CD1 3Å
855	E	83.9	Confident	90	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.9	-178.9	-83.1	-71.2	-169.4	0	0	112.4	F853 I871 S873 R959 C960 V962	F853-E855 HydrophobicContact CD2-CG 3.73Å; F853-E855 HydrophobicContact CE2-CG 3.47Å; F853-E855 VanDerWaalsContact CE2-CG 3.47Å; E855-I871 HydrophobicContact CB-CG2 4.29Å; E855-I871 HydrophobicContact CG-CG2 4.04Å; E855-S873 VanDerWaalsContact CD-OG 3.27Å; E855-S873 PolarHBondContact OE1-OG 3.01Å; E855-S873 PolarHBondContact OE2-OG 2.81Å; E855-R959 CarbonylContact O-C 3.59Å; E855-R959 VanDerWaalsContact O-CA 3.3Å; E855-R959 WeakPolarHBondContact O-CA 3.23Å; E855-C960 PolarHBondContact N-O 3.25Å; E855-C960 PolarHBondContact O-N 3.35Å; E855-V962 HydrophobicContact CB-CG2 3.98Å; E855-V962 HydrophobicContact CG-CG2 3.85Å
856	V	83.5	Confident	90.3	Very high	24 Å²	24	42.6 Å²	42.6	15%	0.145	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.1	164.3	-175.7	0	0	0	0	108.3	L723 L872 V957	L723-V856 HydrophobicContact CD2-CB 4.39Å; L723-V856 HydrophobicContact CD2-CG1 3.96Å; L723-V856 HydrophobicContact CD2-CG2 4.16Å; V856-L872 HydrophobicContact CB-CD1 4.33Å; V856-L872 HydrophobicContact CG1-CD1 3.85Å; V856-L872 WeakPolarHBondContact O-CG 3.36Å; V856-L872 PolarHBondContact O-N 2.64Å; V856-V957 HydrophobicContact CG1-CG1 3.27Å
857	C	90.5	Very high	90.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.2	-179.9	-51.4	0	0	0	0	110.8	V869 L870 V957 V958	C857-V869 HydrophobicContact CB-CB 3.78Å; C857-V869 HydrophobicContact CB-CG1 4.39Å; C857-V869 HydrophobicContact CB-CG2 4.01Å; C857-L870 CarbonylContact C-O 3.5Å; C857-L870 WeakPolarHBondContact CA-O 3.45Å; C857-L870 WeakPolarHBondContact CB-O 3.48Å; C857-V957 CarbonylContact O-C 3.04Å; C857-V957 WeakPolarHBondContact O-CA 3.46Å; C857-V958 HydrophobicContact CB-CG2 4.2Å; C857-V958 PolarHBondContact N-O 3.32Å; C857-V958 PolarHBondContact O-N 2.91Å
858	A	91.9	Very high	90.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.9	176.5	0	0	0	0	0	110.9	A727 V731 T860 V869 L870 L872 D956	A727-A858 HydrophobicContact CB-CB 4.04Å; V731-A858 HydrophobicContact CG2-CB 3.36Å; A858-T860 PolarHBondContact O-N 2.92Å; A858-V869 CarbonylContact O-C 3.51Å; A858-V869 WeakPolarHBondContact O-CA 3.39Å; A858-L870 PolarHBondContact N-O 3.25Å; A858-L870 PolarHBondContact O-N 3.5Å; A858-L872 HydrophobicContact CB-CD2 3.97Å; A858-D956 WeakPolarHBondContact CA-O 3.31Å
859	V	93.2	Very high	91.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	122.5	-179.1	179.5	0	0	0	0	110.4	I862 F867 V869 I952 K953 F955 D956 V958	V859-I862 HydrophobicContact CG1-CD1 4.36Å; V859-I862 HydrophobicContact CG1-CG1 3.92Å; V859-F867 HydrophobicContact CG1-CD2 4.31Å; V859-F867 HydrophobicContact CG2-CD2 4.06Å; V859-F867 HydrophobicContact CG2-CE2 4.22Å; V859-V869 HydrophobicContact CG2-CG1 4.31Å; V859-I952 HydrophobicContact CG1-CG2 4.33Å; V859-I952 HydrophobicContact CG2-CG2 3.84Å; V859-K953 WeakPolarHBondContact CB-O 3.44Å; V859-K953 WeakPolarHBondContact CG1-O 3.28Å; V859-F955 PolarHBondContact O-N 3.48Å; V859-D956 HydrophobicContact CG2-CB 4.15Å; V859-D956 WeakPolarHBondContact CG2-O 3.49Å; V859-D956 PolarHBondContact N-O 2.88Å; V859-V958 HydrophobicContact CG2-CG1 4.18Å; V859-V958 HydrophobicContact CG2-CG2 4.25Å
860	T	93.2	Very high	91.4	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-21.2	-177.5	62.5	0	0	0	0	114	V731 A858 D868 L870 L954	V731-T860 HydrophobicContact CG1-CG2 4.08Å; V731-T860 HydrophobicContact CG2-CG2 3.93Å; A858-T860 PolarHBondContact O-N 2.92Å; T860-D868 PolarHBondContact N-O 2.82Å; T860-D868 WeakPolarHBondContact OG1-CB 3.42Å; T860-D868 PolarHBondContact OG1-O 3.48Å; T860-L870 HydrophobicContact CG2-CB 3.65Å; T860-L954 WeakPolarHBondContact O-CD1 3.34Å
861	S	92.6	Very high	91.6	Very high	41 Å²	41	32.6 Å²	32.6	29%	0.287	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	147.7	-178.2	-179.3	0	0	0	0	110.1	F867 D868	S861-F867 CarbonylContact O-C 3.56Å; S861-F867 WeakPolarHBondContact O-CA 3.33Å; S861-F867 VanDerWaalsContact O-CB 3.27Å; S861-F867 WeakPolarHBondContact O-CB 3.47Å; S861-D868 PolarHBondContact N-O 3.14Å; S861-D868 PolarHBondContact O-N 2.9Å
862	I	93.7	Very high	91.4	Very high	27 Å²	27	31.6 Å²	31.6	14%	0.138	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.6	177.5	-61.1	179.1	0	0	0	109	V859 F867 F892 G906 L908 I952 K953 L954	V859-I862 HydrophobicContact CG1-CD1 4.36Å; V859-I862 HydrophobicContact CG1-CG1 3.92Å; I862-F867 HydrophobicContact CG1-CB 4.43Å; I862-F892 HydrophobicContact CG2-CD2 4.06Å; I862-F892 HydrophobicContact CG2-CE2 3.74Å; I862-G906 WeakPolarHBondContact CD1-O 3.31Å; I862-L908 HydrophobicContact CG2-CD1 3.89Å; I862-L908 HydrophobicContact CG2-CG 3.79Å; I862-I952 WeakPolarHBondContact CD1-O 3.31Å; I862-K953 VanDerWaalsContact CD1-CA 3.41Å; I862-L954 VanDerWaalsContact CD1-N 3.35Å
863	L	93	Very high	90.8	Very high	56 Å²	56	27.3 Å²	27.3	29%	0.293	14%	0.137	S	C	.	.			trans	-124.5	175.4	175.3	-55.5	172.9	0	0	0	110	R865 S866 R879	L863-R865 PolarHBondContact O-N 3.36Å; L863-S866 CarbonylContact C-O 3.53Å; L863-S866 VanDerWaalsContact CA-O 3.29Å; L863-S866 WeakPolarHBondContact CA-O 3.29Å; L863-S866 VanDerWaalsContact CB-O 3.26Å; L863-S866 WeakPolarHBondContact CB-O 3.34Å; L863-S866 PolarHBondContact N-O 3.23Å; L863-S866 VanDerWaalsContact O-O 3.1Å; L863-R879 VanDerWaalsContact CD1-NH1 3.34Å
864	D	93.3	Very high	90.7	Very high	90 Å²	90	26.6 Å²	26.6	48%	0.481	14%	0.135	S	C	.	.	S	Bend	trans	-66.5	-31.7	-176.9	66.1	-31.5	0	0	0	114.4	F892	D864-F892 HydrophobicContact CB-CB 4.37Å; D864-F892 HydrophobicContact CB-CD1 3.81Å; D864-F892 HydrophobicContact CB-CE1 4.33Å; D864-F892 HydrophobicContact CB-CG 4.17Å
865	R	95.2	Very high	90.7	Very high	163 Å²	163	23.1 Å²	23.1	62%	0.615	12%	0.121	S	C	*	.	S	Bend	trans	-128.6	8.3	-178	-60.5	-176.2	-174.7	-161.6	-2.5	114.5	L863 L882 Y890	L863-R865 PolarHBondContact O-N 3.36Å; R865-L882 WeakPolarHBondContact O-CG 3.21Å; R865-L882 PolarHBondContact O-N 3.45Å; R865-Y890 HydrophobicContact CG-CE2 4.42Å
866	S	96.1	Very high	91	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	168.2	-177.6	54.9	0	0	0	0	110.9	L863 R879 V880	L863-S866 CarbonylContact C-O 3.53Å; L863-S866 VanDerWaalsContact CA-O 3.29Å; L863-S866 WeakPolarHBondContact CA-O 3.29Å; L863-S866 VanDerWaalsContact CB-O 3.26Å; L863-S866 WeakPolarHBondContact CB-O 3.34Å; L863-S866 PolarHBondContact N-O 3.23Å; L863-S866 VanDerWaalsContact O-O 3.1Å; S866-R879 WeakPolarHBondContact OG-CD 3.38Å; S866-V880 VanDerWaalsContact CA-O 3.22Å; S866-V880 WeakPolarHBondContact CA-O 3.23Å; S866-V880 WeakPolarHBondContact CB-O 3.29Å
867	F	96.7	Very high	91.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.8	168.8	60.5	-82.9	0	0	0	109.2	V859 S861 I862 V869 V880 L882 L908 I952 L990	V859-F867 HydrophobicContact CG1-CD2 4.31Å; V859-F867 HydrophobicContact CG2-CD2 4.06Å; V859-F867 HydrophobicContact CG2-CE2 4.22Å; S861-F867 CarbonylContact O-C 3.56Å; S861-F867 WeakPolarHBondContact O-CA 3.33Å; S861-F867 VanDerWaalsContact O-CB 3.27Å; S861-F867 WeakPolarHBondContact O-CB 3.47Å; I862-F867 HydrophobicContact CG1-CB 4.43Å; F867-V869 HydrophobicContact CD2-CG1 3.6Å; F867-V869 HydrophobicContact CE2-CG1 3.4Å; F867-V880 HydrophobicContact CD1-CB 4.17Å; F867-V880 HydrophobicContact CD1-CG1 4.48Å; F867-V880 HydrophobicContact CD2-CB 4.31Å; F867-V880 HydrophobicContact CD2-CG2 4.46Å; F867-V880 HydrophobicContact CE1-CB 3.75Å; F867-V880 HydrophobicContact CE1-CG1 3.66Å; F867-V880 HydrophobicContact CE2-CB 3.91Å; F867-V880 HydrophobicContact CE2-CG1 4.39Å; F867-V880 HydrophobicContact CE2-CG2 3.88Å; F867-V880 HydrophobicContact CG-CB 4.43Å; F867-V880 HydrophobicContact CZ-CB 3.61Å; F867-V880 HydrophobicContact CZ-CG1 3.62Å; F867-V880 HydrophobicContact CZ-CG2 3.94Å; F867-V880 PolarHBondContact N-O 2.96Å; F867-V880 VanDerWaalsContact N-O 3.1Å; F867-V880 PolarHBondContact O-N 3.42Å; F867-L882 HydrophobicContact CD1-CD2 4.11Å; F867-L882 HydrophobicContact CE1-CD2 4Å; F867-L908 HydrophobicContact CB-CD1 4.21Å; F867-L908 HydrophobicContact CD1-CD1 3.91Å; F867-L908 HydrophobicContact CG-CD1 4.47Å; F867-I952 HydrophobicContact CD2-CG2 4.18Å; F867-I952 HydrophobicContact CE2-CG2 4.31Å; F867-I952 HydrophobicContact CG-CG2 4.28Å; F867-L990 HydrophobicContact CE1-CD2 4.46Å; F867-L990 HydrophobicContact CZ-CB 4.15Å; F867-L990 HydrophobicContact CZ-CD1 4.33Å; F867-L990 HydrophobicContact CZ-CD2 4.05Å; F867-L990 HydrophobicContact CZ-CG 4.42Å
868	D	96.6	Very high	91.7	Very high	23 Å²	23	27.6 Å²	27.6	12%	0.123	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.7	179.7	-58.7	-35.5	0	0	0	109.3	T860 S861 I877 K878 R879	T860-D868 PolarHBondContact N-O 2.82Å; T860-D868 WeakPolarHBondContact OG1-CB 3.42Å; T860-D868 PolarHBondContact OG1-O 3.48Å; S861-D868 PolarHBondContact N-O 3.14Å; S861-D868 PolarHBondContact O-N 2.9Å; D868-I877 HydrophobicContact CB-CG2 4.04Å; D868-K878 CarbonylContact C-O 3.44Å; D868-K878 WeakPolarHBondContact CA-O 3.25Å; D868-R879 WeakPolarHBondContact OD1-CB 3.42Å; D868-R879 IonicContact OD1-CZ 3.54Å; D868-R879 IonicContact OD1-NE 3.36Å; D868-R879 PolarHBondContact OD1-NE 3Å; D868-R879 IonicContact OD1-NH2 3.53Å; D868-R879 PolarHBondContact OD1-NH2 2.98Å; D868-R879 VanDerWaalsContact OD1-NH2 3.08Å; D868-R879 IonicContact OD2-NH2 3.08Å; D868-R879 PolarHBondContact OD2-NH2 3.21Å; D868-R879 VanDerWaalsContact OD2-NH2 3.07Å
869	V	95.5	Very high	91.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.5	177.8	-60.4	0	0	0	0	110.9	C857 A858 V859 F867 I877 K878 V880 V958 V988	C857-V869 HydrophobicContact CB-CB 3.78Å; C857-V869 HydrophobicContact CB-CG1 4.39Å; C857-V869 HydrophobicContact CB-CG2 4.01Å; A858-V869 CarbonylContact O-C 3.51Å; A858-V869 WeakPolarHBondContact O-CA 3.39Å; V859-V869 HydrophobicContact CG2-CG1 4.31Å; F867-V869 HydrophobicContact CD2-CG1 3.6Å; F867-V869 HydrophobicContact CE2-CG1 3.4Å; V869-I877 CarbonylContact O-C 3.46Å; V869-I877 VanDerWaalsContact O-CA 3.27Å; V869-I877 WeakPolarHBondContact O-CA 3.46Å; V869-K878 PolarHBondContact N-O 3.37Å; V869-K878 PolarHBondContact O-N 2.97Å; V869-V880 HydrophobicContact CG1-CG2 4.05Å; V869-V880 HydrophobicContact CG2-CG2 4.01Å; V869-V958 HydrophobicContact CG1-CG2 4.16Å; V869-V988 HydrophobicContact CG2-CG1 4.02Å
870	L	93.3	Very high	92	Very high	9 Å²	9	31.9 Å²	31.9	5%	0.047	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.2	165.7	177.5	67.5	0	0	0	108.2	L730 V731 C857 A858 T860 L872 G875 L876 I877	L730-L870 HydrophobicContact CB-CD2 3.77Å; V731-L870 HydrophobicContact CG2-CD2 4.3Å; C857-L870 CarbonylContact C-O 3.5Å; C857-L870 WeakPolarHBondContact CA-O 3.45Å; C857-L870 WeakPolarHBondContact CB-O 3.48Å; A858-L870 PolarHBondContact N-O 3.25Å; A858-L870 PolarHBondContact O-N 3.5Å; T860-L870 HydrophobicContact CG2-CB 3.65Å; L870-L872 HydrophobicContact CD2-CD2 4.16Å; L870-L872 HydrophobicContact CG-CD2 4.34Å; L870-L872 PolarHBondContact O-N 3.05Å; L870-G875 VanDerWaalsContact CD1-O 3.29Å; L870-G875 WeakPolarHBondContact CD1-O 3.33Å; L870-L876 WeakPolarHBondContact CA-O 3.34Å; L870-I877 HydrophobicContact CD1-CG1 3.87Å
871	I	90.7	Very high	92.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	114.1	169.4	-54.6	176.5	0	0	0	106.8	F843 E855 S873 C874 G875 L876 K878 V962 V988	F843-I871 HydrophobicContact CE1-CD1 4.4Å; F843-I871 HydrophobicContact CZ-CD1 4.41Å; E855-I871 HydrophobicContact CB-CG2 4.29Å; E855-I871 HydrophobicContact CG-CG2 4.04Å; I871-S873 PolarHBondContact O-N 2.8Å; I871-C874 VanDerWaalsContact CG2-SG 3.54Å; I871-G875 WeakPolarHBondContact O-CA 3.49Å; I871-G875 PolarHBondContact O-N 3.36Å; I871-L876 HydrophobicContact CD1-CB 4.31Å; I871-L876 PolarHBondContact N-O 3.06Å; I871-K878 HydrophobicContact CD1-CG 4.16Å; I871-V962 HydrophobicContact CD1-CG2 4.07Å; I871-V988 HydrophobicContact CD1-CG2 4.37Å
872	L	83.5	Confident	92.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-36.5	-167.5	-62.5	-179.8	0	0	0	112.5	L682 L723 A727 L730 V856 A858 L870	L682-L872 HydrophobicContact CD1-CB 4.11Å; L723-L872 HydrophobicContact CD1-CD1 3.96Å; A727-L872 HydrophobicContact CB-CD1 3.74Å; A727-L872 HydrophobicContact CB-CD2 4.07Å; L730-L872 HydrophobicContact CD1-CD2 3.9Å; V856-L872 HydrophobicContact CB-CD1 4.33Å; V856-L872 HydrophobicContact CG1-CD1 3.85Å; V856-L872 WeakPolarHBondContact O-CG 3.36Å; V856-L872 PolarHBondContact O-N 2.64Å; A858-L872 HydrophobicContact CB-CD2 3.97Å; L870-L872 HydrophobicContact CD2-CD2 4.16Å; L870-L872 HydrophobicContact CG-CD2 4.34Å; L870-L872 PolarHBondContact O-N 3.05Å
873	S	77.2	Confident	92.2	Very high	7 Å²	7	41.4 Å²	41.4	5%	0.049	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-39.2	-177.3	54.8	0	0	0	0	113.5	C686 E855 I871	C686-S873 VanDerWaalsContact SG-CB 3.51Å; E855-S873 VanDerWaalsContact CD-OG 3.27Å; E855-S873 PolarHBondContact OE1-OG 3.01Å; E855-S873 PolarHBondContact OE2-OG 2.81Å; I871-S873 PolarHBondContact O-N 2.8Å
874	C	84.3	Confident	92.1	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.027	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-10.1	-173.2	67.3	0	0	0	0	115	S576 I590 F843 I871 L876	S576-C874 WeakPolarHBondContact OG-CA 3.43Å; S576-C874 WeakPolarHBondContact OG-CB 3.41Å; S576-C874 PolarHBondContact OG-O 2.77Å; I590-C874 HydrophobicContact CD1-CB 3.87Å; F843-C874 HydrophobicContact CD2-CB 3.97Å; F843-C874 HydrophobicContact CE2-CB 3.74Å; F843-C874 VanDerWaalsContact CE2-SG 3.53Å; I871-C874 VanDerWaalsContact CG2-SG 3.54Å; C874-L876 VanDerWaalsContact C-N 3.31Å; C874-L876 HydrophobicContact CB-CG 4.47Å; C874-L876 PolarHBondContact O-N 3.34Å; C874-L876 VanDerWaalsContact SG-CG 3.55Å
875	G	86.9	Confident	92	Very high	22 Å²	22	38.7 Å²	38.7	23%	0.227	18%	0.179	C	C	.	.			trans	79.6	5.7	179.7	0	0	0	0	0	115.5	L870 I871	L870-G875 VanDerWaalsContact CD1-O 3.29Å; L870-G875 WeakPolarHBondContact CD1-O 3.33Å; I871-G875 WeakPolarHBondContact O-CA 3.49Å; I871-G875 PolarHBondContact O-N 3.36Å
876	L	90.7	Very high	91.8	Very high	33 Å²	33	34.5 Å²	34.5	17%	0.173	17%	0.169	C	C	.	.			trans	-75.9	134.1	-178.8	-66.3	177.9	0	0	0	111.4	F843 L870 I871 C874 K878 L986	F843-L876 HydrophobicContact CB-CD1 4.08Å; F843-L876 HydrophobicContact CD1-CD1 3.44Å; F843-L876 VanDerWaalsContact CD1-CD1 3.44Å; F843-L876 HydrophobicContact CD2-CD1 4.23Å; F843-L876 HydrophobicContact CE1-CD1 3.86Å; F843-L876 HydrophobicContact CG-CD1 3.64Å; F843-L876 HydrophobicContact CZ-CD1 4.43Å; L870-L876 WeakPolarHBondContact CA-O 3.34Å; I871-L876 HydrophobicContact CD1-CB 4.31Å; I871-L876 PolarHBondContact N-O 3.06Å; C874-L876 VanDerWaalsContact C-N 3.31Å; C874-L876 HydrophobicContact CB-CG 4.47Å; C874-L876 PolarHBondContact O-N 3.34Å; C874-L876 VanDerWaalsContact SG-CG 3.55Å; L876-K878 HydrophobicContact CB-CG 4.49Å; L876-L986 HydrophobicContact CD1-CD1 4.24Å
877	I	93.4	Very high	91.6	Very high	58 Å²	58	35.5 Å²	35.5	30%	0.297	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.9	170.3	-60.1	176.9	0	0	0	108.5	D868 V869 L870	D868-I877 HydrophobicContact CB-CG2 4.04Å; V869-I877 CarbonylContact O-C 3.46Å; V869-I877 VanDerWaalsContact O-CA 3.27Å; V869-I877 WeakPolarHBondContact O-CA 3.46Å; L870-I877 HydrophobicContact CD1-CG1 3.87Å
878	K	94	Very high	91.3	Very high	35 Å²	35	42.6 Å²	42.6	15%	0.152	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.1	-179.5	-65.6	-67.2	162.5	-171.7	0	111.4	E840 D868 V869 I871 L876 L986 V988	E840-K878 IonicContact OE1-NZ 3.31Å; E840-K878 PolarHBondContact OE1-NZ 3.5Å; E840-K878 IonicContact OE2-NZ 3.69Å; E840-K878 PolarHBondContact OE2-NZ 3.34Å; D868-K878 CarbonylContact C-O 3.44Å; D868-K878 WeakPolarHBondContact CA-O 3.25Å; V869-K878 PolarHBondContact N-O 3.37Å; V869-K878 PolarHBondContact O-N 2.97Å; I871-K878 HydrophobicContact CD1-CG 4.16Å; L876-K878 HydrophobicContact CB-CG 4.49Å; K878-L986 HydrophobicContact CD-CD1 4.31Å; K878-V988 HydrophobicContact CB-CB 4.33Å; K878-V988 HydrophobicContact CB-CG2 3.64Å; K878-V988 HydrophobicContact CG-CG2 4.04Å
879	R	95.5	Very high	91.2	Very high	90 Å²	90	44.4 Å²	44.4	34%	0.34	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.3	179.5	-179.1	157.4	-67.7	-173.3	3.7	110.5	L863 S866 D868 Y881	L863-R879 VanDerWaalsContact CD1-NH1 3.34Å; S866-R879 WeakPolarHBondContact OG-CD 3.38Å; D868-R879 WeakPolarHBondContact OD1-CB 3.42Å; D868-R879 IonicContact OD1-CZ 3.54Å; D868-R879 IonicContact OD1-NE 3.36Å; D868-R879 PolarHBondContact OD1-NE 3Å; D868-R879 IonicContact OD1-NH2 3.53Å; D868-R879 PolarHBondContact OD1-NH2 2.98Å; D868-R879 VanDerWaalsContact OD1-NH2 3.08Å; D868-R879 IonicContact OD2-NH2 3.08Å; D868-R879 PolarHBondContact OD2-NH2 3.21Å; D868-R879 VanDerWaalsContact OD2-NH2 3.07Å; R879-Y881 HydrophobicContact CB-CE2 4.05Å; R879-Y881 VanDerWaalsContact CD-CZ 3.43Å; R879-Y881 HydrophobicContact CG-CD1 4.29Å; R879-Y881 HydrophobicContact CG-CD2 4.07Å; R879-Y881 HydrophobicContact CG-CE1 4.01Å; R879-Y881 HydrophobicContact CG-CE2 3.78Å; R879-Y881 HydrophobicContact CG-CG 4.33Å
880	V	96.5	Very high	91.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.9	167.2	-176.5	0	0	0	0	108.1	S866 F867 V869 L885 V988 L990	S866-V880 VanDerWaalsContact CA-O 3.22Å; S866-V880 WeakPolarHBondContact CA-O 3.23Å; S866-V880 WeakPolarHBondContact CB-O 3.29Å; F867-V880 HydrophobicContact CD1-CB 4.17Å; F867-V880 HydrophobicContact CD1-CG1 4.48Å; F867-V880 HydrophobicContact CD2-CB 4.31Å; F867-V880 HydrophobicContact CD2-CG2 4.46Å; F867-V880 HydrophobicContact CE1-CB 3.75Å; F867-V880 HydrophobicContact CE1-CG1 3.66Å; F867-V880 HydrophobicContact CE2-CB 3.91Å; F867-V880 HydrophobicContact CE2-CG1 4.39Å; F867-V880 HydrophobicContact CE2-CG2 3.88Å; F867-V880 HydrophobicContact CG-CB 4.43Å; F867-V880 HydrophobicContact CZ-CB 3.61Å; F867-V880 HydrophobicContact CZ-CG1 3.62Å; F867-V880 HydrophobicContact CZ-CG2 3.94Å; F867-V880 PolarHBondContact N-O 2.96Å; F867-V880 VanDerWaalsContact N-O 3.1Å; F867-V880 PolarHBondContact O-N 3.42Å; V869-V880 HydrophobicContact CG1-CG2 4.05Å; V869-V880 HydrophobicContact CG2-CG2 4.01Å; V880-L885 HydrophobicContact CG1-CD1 4.22Å; V880-L885 HydrophobicContact CG1-CD2 4.16Å; V880-V988 HydrophobicContact CG2-CB 4.34Å; V880-V988 HydrophobicContact CG2-CG1 3.94Å; V880-L990 HydrophobicContact CG1-CB 4.27Å
881	Y	95.5	Very high	91.3	Very high	108 Å²	108	54.7 Å²	54.7	42%	0.424	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.2	176.9	-67.7	-84.4	0	0	0	110.2	R879 Q883 N884	R879-Y881 HydrophobicContact CB-CE2 4.05Å; R879-Y881 VanDerWaalsContact CD-CZ 3.43Å; R879-Y881 HydrophobicContact CG-CD1 4.29Å; R879-Y881 HydrophobicContact CG-CD2 4.07Å; R879-Y881 HydrophobicContact CG-CE1 4.01Å; R879-Y881 HydrophobicContact CG-CE2 3.78Å; R879-Y881 HydrophobicContact CG-CG 4.33Å; Y881-Q883 PolarHBondContact O-N 3.41Å; Y881-N884 PolarHBondContact O-N 3.08Å
882	L	95.2	Very high	91.5	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.016	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-63.8	-27.6	-176.6	-59.7	-178.6	0	0	0	113	R865 F867 N884 L885 L887 Y890 L908 L910	R865-L882 WeakPolarHBondContact O-CG 3.21Å; R865-L882 PolarHBondContact O-N 3.45Å; F867-L882 HydrophobicContact CD1-CD2 4.11Å; F867-L882 HydrophobicContact CE1-CD2 4Å; L882-N884 PolarHBondContact O-N 3.13Å; L882-L885 HydrophobicContact CD2-CD1 3.9Å; L882-L885 WeakPolarHBondContact O-CB 3.23Å; L882-L885 PolarHBondContact O-N 3.34Å; L882-L885 VanDerWaalsContact O-N 3.11Å; L882-L887 HydrophobicContact CB-CD1 4.28Å; L882-L887 HydrophobicContact CD2-CD1 4.39Å; L882-Y890 HydrophobicContact CB-CD1 4.28Å; L882-Y890 HydrophobicContact CB-CE1 4.31Å; L882-Y890 HydrophobicContact CD1-CD1 4.19Å; L882-Y890 HydrophobicContact CD1-CD2 3.48Å; L882-Y890 VanDerWaalsContact CD1-CD2 3.48Å; L882-Y890 HydrophobicContact CD1-CE2 3.86Å; L882-Y890 HydrophobicContact CD1-CG 3.67Å; L882-L908 HydrophobicContact CD1-CD1 4.11Å; L882-L908 HydrophobicContact CD1-CD2 3.76Å; L882-L908 HydrophobicContact CD2-CD1 4.3Å; L882-L910 HydrophobicContact CD1-CD2 4.32Å; L882-L910 HydrophobicContact CD2-CD2 3.89Å
883	Q	92.6	Very high	92	Very high	162 Å²	162	59.5 Å²	59.5	76%	0.757	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-65.1	-20.2	176.3	78.4	-169.3	9.6	0	0	113.4	Y881 L885	Y881-Q883 PolarHBondContact O-N 3.41Å; Q883-L885 VanDerWaalsContact C-N 3.3Å
884	N	90.5	Very high	92.5	Very high	72 Å²	72	63 Å²	63	39%	0.385	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-91.2	3.5	178.2	-62.1	-2.5	0	0	0	111.6	Y881 L882 L987 T989	Y881-N884 PolarHBondContact O-N 3.08Å; L882-N884 PolarHBondContact O-N 3.13Å; N884-L987 HydrophobicContact CB-CD1 4.45Å; N884-L987 VanDerWaalsContact ND2-CD1 3.25Å; N884-L987 WeakPolarHBondContact ND2-CD1 3.5Å; N884-T989 HydrophobicContact CB-CG2 4.36Å
885	L	92.9	Very high	92.6	Very high	16 Å²	16	65.7 Å²	65.7	8%	0.084	33%	0.327	C	S	.	.	S	Bend	trans	-106.3	146.4	179.4	-52.7	-177.7	0	0	0	109.8	V880 L882 Q883 L887 W912 T989 L990	V880-L885 HydrophobicContact CG1-CD1 4.22Å; V880-L885 HydrophobicContact CG1-CD2 4.16Å; L882-L885 HydrophobicContact CD2-CD1 3.9Å; L882-L885 WeakPolarHBondContact O-CB 3.23Å; L882-L885 PolarHBondContact O-N 3.34Å; L882-L885 VanDerWaalsContact O-N 3.11Å; Q883-L885 VanDerWaalsContact C-N 3.3Å; L885-L887 HydrophobicContact CB-CD1 3.93Å; L885-L887 HydrophobicContact CB-CD2 4.42Å; L885-L887 HydrophobicContact CB-CG 3.74Å; L885-L887 HydrophobicContact CD1-CD1 4.16Å; L885-L887 PolarHBondContact O-N 3.39Å; L885-W912 HydrophobicContact CB-CH2 4.48Å; L885-T989 HydrophobicContact CD2-CG2 4.44Å; L885-L990 HydrophobicContact CD1-CB 3.93Å; L885-L990 HydrophobicContact CD1-CD2 4.31Å; L885-L990 HydrophobicContact CD2-CB 3.91Å; L885-L990 VanDerWaalsContact CD2-N 3.34Å
886	N	90.5	Very high	92.4	Very high	75 Å²	75	72.6 Å²	72.6	40%	0.401	35%	0.347	S	S	.	.			trans	-78	67.8	177.9	-171.6	17.7	0	0	0	111.9	N913	N886-N913 PolarHBondContact O-N 3.5Å; N886-N913 VanDerWaalsContact O-N 3.15Å; N886-N913 PolarHBondContact OD1-ND2 3.25Å
887	L	91.9	Very high	91.7	Very high	27 Å²	27	75.9 Å²	75.9	14%	0.141	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.2	-176.5	-59.6	175.6	0	0	0	111.5	L882 L885 Y890 L910 L911 W912	L882-L887 HydrophobicContact CB-CD1 4.28Å; L882-L887 HydrophobicContact CD2-CD1 4.39Å; L885-L887 HydrophobicContact CB-CD1 3.93Å; L885-L887 HydrophobicContact CB-CD2 4.42Å; L885-L887 HydrophobicContact CB-CG 3.74Å; L885-L887 HydrophobicContact CD1-CD1 4.16Å; L885-L887 PolarHBondContact O-N 3.39Å; L887-Y890 HydrophobicContact CD1-CD1 4.41Å; L887-L910 HydrophobicContact CD1-CD2 3.98Å; L887-L910 HydrophobicContact CD2-CB 3.98Å; L887-L911 CarbonylContact C-O 3.51Å; L887-L911 WeakPolarHBondContact CA-O 3.48Å; L887-W912 HydrophobicContact CD2-CD2 3.67Å; L887-W912 HydrophobicContact CD2-CE3 3.97Å; L887-W912 HydrophobicContact CD2-CG 3.99Å; L887-W912 HydrophobicContact CD2-CZ2 4.29Å; L887-W912 HydrophobicContact CD2-CZ3 4.4Å
888	K	91	Very high	90.8	Very high	150 Å²	150	75.3 Å²	75.3	65%	0.652	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	-43.9	166.1	-176.4	171.8	175.6	177.8	0	111.2	L911 N913	K888-L911 HydrophobicContact CB-CD2 4.25Å; K888-L911 HydrophobicContact CB-CG 4.18Å; K888-L911 HydrophobicContact CD-CD2 3.84Å; K888-L911 HydrophobicContact CD-CG 4.42Å; K888-L911 HydrophobicContact CG-CD2 4.24Å; K888-L911 PolarHBondContact N-O 3.22Å; K888-N913 WeakPolarHBondContact CA-OD1 3.34Å; K888-N913 VanDerWaalsContact CB-OD1 3.3Å; K888-N913 WeakPolarHBondContact CB-OD1 3.42Å
889	S	92.9	Very high	89.7	Confident	61 Å²	61	80.1 Å²	80.1	43%	0.427	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	161.4	177.4	59.9	0	0	0	0	110.9	L911	S889-L911 PolarHBondContact N-O 3.17Å; S889-L911 PolarHBondContact O-N 2.71Å
890	Y	95.2	Very high	88.2	Confident	99 Å²	99	85.6 Å²	85.6	39%	0.388	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.9	169.5	60.9	-90.9	0	0	0	110.5	R865 L882 L887 C909	R865-Y890 HydrophobicContact CG-CE2 4.42Å; L882-Y890 HydrophobicContact CB-CD1 4.28Å; L882-Y890 HydrophobicContact CB-CE1 4.31Å; L882-Y890 HydrophobicContact CD1-CD1 4.19Å; L882-Y890 HydrophobicContact CD1-CD2 3.48Å; L882-Y890 VanDerWaalsContact CD1-CD2 3.48Å; L882-Y890 HydrophobicContact CD1-CE2 3.86Å; L882-Y890 HydrophobicContact CD1-CG 3.67Å; L887-Y890 HydrophobicContact CD1-CD1 4.41Å; Y890-C909 CarbonylContact C-O 3.52Å; Y890-C909 WeakPolarHBondContact CA-O 3.23Å
891	E	95.6	Very high	86.9	Confident	125 Å²	125	91.6 Å²	91.6	58%	0.584	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.9	175.3	-176.8	-175	175.8	0	0	109.2	C909	E891-C909 HydrophobicContact CB-CB 4.25Å; E891-C909 PolarHBondContact N-O 2.82Å; E891-C909 PolarHBondContact O-N 2.96Å
892	F	95.8	Very high	85.8	Confident	63 Å²	63	88 Å²	88	28%	0.276	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.8	171.9	173	-119.5	0	0	0	110.1	I862 D864 P894 L908	I862-F892 HydrophobicContact CG2-CD2 4.06Å; I862-F892 HydrophobicContact CG2-CE2 3.74Å; D864-F892 HydrophobicContact CB-CB 4.37Å; D864-F892 HydrophobicContact CB-CD1 3.81Å; D864-F892 HydrophobicContact CB-CE1 4.33Å; D864-F892 HydrophobicContact CB-CG 4.17Å; F892-P894 HydrophobicContact CD1-CB 4.49Å; F892-P894 HydrophobicContact CE1-CB 3.77Å; F892-P894 HydrophobicContact CZ-CB 4.06Å; F892-P894 WeakPolarHBondContact O-CD 3.43Å; F892-L908 HydrophobicContact CB-CD2 3.88Å; F892-L908 HydrophobicContact CD2-CD2 4.12Å; F892-L908 HydrophobicContact CD2-CG 4.33Å; F892-L908 HydrophobicContact CG-CD2 4.47Å
893	V	94.1	Very high	85	Confident	40 Å²	40	92.2 Å²	92.2	24%	0.242	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.3	171.8	-176.3	0	0	0	0	107.4	G906 K907	V893-G906 CarbonylContact O-C 3.6Å; V893-G906 WeakPolarHBondContact O-CA 3.24Å; V893-K907 HydrophobicContact CB-CG 3.77Å; V893-K907 HydrophobicContact CG1-CG 4.45Å; V893-K907 HydrophobicContact CG2-CG 4.11Å; V893-K907 PolarHBondContact N-O 3.37Å; V893-K907 PolarHBondContact O-N 3.17Å
894	P	88.4	Confident	84.5	Confident	79 Å²	79	88.4 Å²	88.4	51%	0.513	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-66.6	154.5	-178.3	26.9	-34.1	0	0	0	111.8	F892	F892-P894 HydrophobicContact CD1-CB 4.49Å; F892-P894 HydrophobicContact CE1-CB 3.77Å; F892-P894 HydrophobicContact CZ-CB 4.06Å; F892-P894 WeakPolarHBondContact O-CD 3.43Å
895	P	85.6	Confident	84.2	Confident	61 Å²	61	86.8 Å²	86.8	40%	0.396	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-61.1	138.8	175.6	24.2	-31.9	0	0	0	111.1	V902 E904	P895-V902 HydrophobicContact CB-CG1 4.19Å; P895-E904 VanDerWaalsContact CA-O 3.27Å; P895-E904 WeakPolarHBondContact CA-O 3.27Å; P895-E904 WeakPolarHBondContact CB-O 3.24Å
896	R	83.5	Confident	84	Confident	168 Å²	168	86.5 Å²	86.5	63%	0.634	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.7	172.3	-63.9	-172.6	177.9	160.1	-10.9	109.7	V903 E904	R896-V903 PolarHBondContact O-N 3.35Å; R896-E904 HydrophobicContact CB-CB 4Å; R896-E904 VanDerWaalsContact CD-OE2 3.26Å; R896-E904 WeakPolarHBondContact CD-OE2 3.36Å; R896-E904 HydrophobicContact CG-CB 4.34Å; R896-E904 IonicContact CZ-OE2 2.73Å; R896-E904 PolarHBondContact N-O 2.92Å; R896-E904 IonicContact NE-OE2 2.7Å; R896-E904 IonicContact NH1-OE2 3.7Å; R896-E904 PolarHBondContact NH1-OE2 3.27Å; R896-E904 VanDerWaalsContact NH1-OE2 3.08Å; R896-E904 PolarHBondContact O-N 2.91Å
897	T	75.6	Confident	84.1	Confident	101 Å²	101	85.2 Å²	85.2	62%	0.62	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.3	175.6	57.9	0	0	0	0	110.2	K901	T897-K901 CarbonylContact C-O 3.53Å; T897-K901 VanDerWaalsContact CA-O 3.26Å; T897-K901 WeakPolarHBondContact CA-O 3.5Å
898	A	74.3	Confident	84.3	Confident	47 Å²	47	83.9 Å²	83.9	39%	0.388	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.2	168.7	0	0	0	0	0	108	R900 K901 V903	A898-R900 PolarHBondContact O-N 3.42Å; A898-R900 VanDerWaalsContact O-N 3.14Å; A898-K901 PolarHBondContact N-O 2.73Å; A898-K901 PolarHBondContact O-N 3.01Å; A898-V903 HydrophobicContact CB-CG2 3.48Å; A898-V903 VanDerWaalsContact CB-CG2 3.48Å
899	T	71.7	Confident	84.5	Confident	135 Å²	135	77.3 Å²	77.3	83%	0.828	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	39.9	-179.6	58.6	0	0	0	0	113.8	K901	T899-K901 PolarHBondContact O-N 3.15Å
900	R	63.7	Low	84.6	Confident	206 Å²	206	74.4 Å²	74.4	78%	0.777	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	11	-176.2	-54.8	-179.7	175.4	-165.1	-7.5	116.1	A898	A898-R900 PolarHBondContact O-N 3.42Å; A898-R900 VanDerWaalsContact O-N 3.14Å
901	K	68.2	Low	84.4	Confident	125 Å²	125	72.2 Å²	72.2	54%	0.543	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.5	170.6	-65	-174.3	178.8	-177.6	0	109.5	T897 A898 T899 V903	T897-K901 CarbonylContact C-O 3.53Å; T897-K901 VanDerWaalsContact CA-O 3.26Å; T897-K901 WeakPolarHBondContact CA-O 3.5Å; A898-K901 PolarHBondContact N-O 2.73Å; A898-K901 PolarHBondContact O-N 3.01Å; T899-K901 PolarHBondContact O-N 3.15Å; K901-V903 PolarHBondContact O-N 3.28Å
902	V	73.1	Confident	84.1	Confident	33 Å²	33	67.3 Å²	67.3	20%	0.2	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	123.6	168.2	-173.1	0	0	0	0	107.2	V647 P895 E904	V647-V902 HydrophobicContact CG2-CB 4.27Å; V647-V902 HydrophobicContact CG2-CG1 4.09Å; V647-V902 WeakPolarHBondContact CG2-O 3.49Å; P895-V902 HydrophobicContact CB-CG1 4.19Å; V902-E904 WeakPolarHBondContact CG1-O 3.47Å
903	V	78.2	Confident	83.7	Confident	91 Å²	91	66.6 Å²	66.6	55%	0.552	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	-34.9	176.1	-178.2	0	0	0	0	110.3	R896 A898 K901	R896-V903 PolarHBondContact O-N 3.35Å; A898-V903 HydrophobicContact CB-CG2 3.48Å; A898-V903 VanDerWaalsContact CB-CG2 3.48Å; K901-V903 PolarHBondContact O-N 3.28Å
904	E	82.2	Confident	82.6	Confident	82 Å²	82	67 Å²	67	38%	0.383	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.9	179.1	-167	175.4	179.1	0	0	108.7	P895 R896 V902	P895-E904 VanDerWaalsContact CA-O 3.27Å; P895-E904 WeakPolarHBondContact CA-O 3.27Å; P895-E904 WeakPolarHBondContact CB-O 3.24Å; R896-E904 HydrophobicContact CB-CB 4Å; R896-E904 VanDerWaalsContact CD-OE2 3.26Å; R896-E904 WeakPolarHBondContact CD-OE2 3.36Å; R896-E904 HydrophobicContact CG-CB 4.34Å; R896-E904 IonicContact CZ-OE2 2.73Å; R896-E904 PolarHBondContact N-O 2.92Å; R896-E904 IonicContact NE-OE2 2.7Å; R896-E904 IonicContact NH1-OE2 3.7Å; R896-E904 PolarHBondContact NH1-OE2 3.27Å; R896-E904 VanDerWaalsContact NH1-OE2 3.08Å; R896-E904 PolarHBondContact O-N 2.91Å; V902-E904 WeakPolarHBondContact CG1-O 3.47Å
905	S	83.3	Confident	81.4	Confident	39 Å²	39	69.5 Å²	69.5	27%	0.273	36%	0.364	S	S	.	.			trans	-70	142.4	178.6	56.2	0	0	0	0	110.1
906	G	88.6	Confident	79.8	Confident	10 Å²	10	71.6 Å²	71.6	10%	0.103	37%	0.371	C	S	.	.			trans	-62.6	153.7	169.6	0	0	0	0	0	110.9	I862 V893	I862-G906 WeakPolarHBondContact CD1-O 3.31Å; V893-G906 CarbonylContact O-C 3.6Å; V893-G906 WeakPolarHBondContact O-CA 3.24Å
907	K	93.9	Very high	77.9	Confident	47 Å²	47	69.7 Å²	69.7	20%	0.204	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.8	177.6	65.1	175.6	-177.1	175.4	0	111.9	V893 E951 I952 K953	V893-K907 HydrophobicContact CB-CG 3.77Å; V893-K907 HydrophobicContact CG1-CG 4.45Å; V893-K907 HydrophobicContact CG2-CG 4.11Å; V893-K907 PolarHBondContact N-O 3.37Å; V893-K907 PolarHBondContact O-N 3.17Å; K907-E951 IonicContact NZ-OE1 2.95Å; K907-E951 PolarHBondContact NZ-OE1 3.06Å; K907-E951 IonicContact NZ-OE2 3.37Å; K907-I952 CarbonylContact C-O 3.51Å; K907-I952 VanDerWaalsContact CA-O 3.26Å; K907-I952 WeakPolarHBondContact CA-O 3.43Å; K907-K953 HydrophobicContact CB-CG 3.85Å
908	L	95.9	Very high	75.9	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.4	168.1	-81.6	165.6	0	0	0	109.3	I862 F867 L882 F892 L910 E951 I952	I862-L908 HydrophobicContact CG2-CD1 3.89Å; I862-L908 HydrophobicContact CG2-CG 3.79Å; F867-L908 HydrophobicContact CB-CD1 4.21Å; F867-L908 HydrophobicContact CD1-CD1 3.91Å; F867-L908 HydrophobicContact CG-CD1 4.47Å; L882-L908 HydrophobicContact CD1-CD1 4.11Å; L882-L908 HydrophobicContact CD1-CD2 3.76Å; L882-L908 HydrophobicContact CD2-CD1 4.3Å; F892-L908 HydrophobicContact CB-CD2 3.88Å; F892-L908 HydrophobicContact CD2-CD2 4.12Å; F892-L908 HydrophobicContact CD2-CG 4.33Å; F892-L908 HydrophobicContact CG-CD2 4.47Å; L908-L910 HydrophobicContact CB-CD2 4.11Å; L908-E951 CarbonylContact O-C 3.58Å; L908-E951 WeakPolarHBondContact O-CA 3.4Å; L908-I952 HydrophobicContact CB-CB 4.24Å; L908-I952 PolarHBondContact N-O 3.25Å; L908-I952 PolarHBondContact O-N 2.89Å
909	C	95.4	Very high	73.7	Confident	11 Å²	11	79.2 Å²	79.2	7%	0.074	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.2	172.4	-59.7	0	0	0	0	108	Y890 E891 Y949	Y890-C909 CarbonylContact C-O 3.52Å; Y890-C909 WeakPolarHBondContact CA-O 3.23Å; E891-C909 HydrophobicContact CB-CB 4.25Å; E891-C909 PolarHBondContact N-O 2.82Å; E891-C909 PolarHBondContact O-N 2.96Å; C909-Y949 HydrophobicContact CB-CE2 3.96Å; C909-Y949 PolarHBondContact SG-OH 2.76Å; C909-Y949 VanDerWaalsContact SG-OH 3.35Å
910	L	94.2	Very high	71.6	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.2	-174.9	-51.2	-176.3	0	0	0	109.9	L882 L887 L908 Y949 M950 I952 L990	L882-L910 HydrophobicContact CD1-CD2 4.32Å; L882-L910 HydrophobicContact CD2-CD2 3.89Å; L887-L910 HydrophobicContact CD1-CD2 3.98Å; L887-L910 HydrophobicContact CD2-CB 3.98Å; L908-L910 HydrophobicContact CB-CD2 4.11Å; L910-Y949 WeakPolarHBondContact O-CA 3.28Å; L910-M950 HydrophobicContact CB-CB 4.41Å; L910-M950 PolarHBondContact N-O 3.08Å; L910-M950 PolarHBondContact O-N 3.4Å; L910-I952 HydrophobicContact CD1-CG1 3.74Å; L910-I952 HydrophobicContact CG-CG1 4.35Å; L910-L990 HydrophobicContact CD1-CD2 3.68Å
911	L	91.6	Very high	69.8	Low	53 Å²	53	74.3 Å²	74.3	28%	0.277	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.5	171.9	-174.8	65.6	0	0	0	109	L887 K888 S889 F948	L887-L911 CarbonylContact C-O 3.51Å; L887-L911 WeakPolarHBondContact CA-O 3.48Å; K888-L911 HydrophobicContact CB-CD2 4.25Å; K888-L911 HydrophobicContact CB-CG 4.18Å; K888-L911 HydrophobicContact CD-CD2 3.84Å; K888-L911 HydrophobicContact CD-CG 4.42Å; K888-L911 HydrophobicContact CG-CD2 4.24Å; K888-L911 PolarHBondContact N-O 3.22Å; S889-L911 PolarHBondContact N-O 3.17Å; S889-L911 PolarHBondContact O-N 2.71Å; L911-F948 CarbonylContact C-O 3.56Å; L911-F948 WeakPolarHBondContact CA-O 3.28Å
912	W	89.3	Confident	67.9	Low	22 Å²	22	75.2 Å²	75.2	8%	0.083	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	150.6	-178.5	-64.9	84	0	0	0	111.8	L885 L887 F948 M950 L990 R992	L885-W912 HydrophobicContact CB-CH2 4.48Å; L887-W912 HydrophobicContact CD2-CD2 3.67Å; L887-W912 HydrophobicContact CD2-CE3 3.97Å; L887-W912 HydrophobicContact CD2-CG 3.99Å; L887-W912 HydrophobicContact CD2-CZ2 4.29Å; L887-W912 HydrophobicContact CD2-CZ3 4.4Å; W912-F948 HydrophobicContact CB-CD1 4.14Å; W912-F948 VanDerWaalsContact CD1-O 3.29Å; W912-F948 PolarHBondContact N-O 2.86Å; W912-M950 HydrophobicContact CZ2-CE 4.28Å; W912-L990 HydrophobicContact CH2-CD2 4.49Å; W912-L990 HydrophobicContact CH2-CG 4.41Å; W912-L990 WeakPolarHBondContact CH2-O 3.33Å; W912-L990 HydrophobicContact CZ2-CD2 3.89Å; W912-L990 HydrophobicContact CZ2-CG 4.15Å; W912-R992 HydrophobicContact CD2-CB 3.9Å; W912-R992 HydrophobicContact CD2-CG 3.83Å; W912-R992 HydrophobicContact CE3-CB 4.08Å; W912-R992 HydrophobicContact CE3-CG 4.44Å; W912-R992 HydrophobicContact CG-CG 3.92Å; W912-R992 HydrophobicContact CH2-CB 4.07Å; W912-R992 HydrophobicContact CZ2-CB 3.89Å; W912-R992 HydrophobicContact CZ2-CG 4.32Å; W912-R992 HydrophobicContact CZ3-CB 4.16Å
913	N	85.9	Confident	65.7	Low	48 Å²	48	82 Å²	82	26%	0.257	44%	0.441	S	S	.	.			trans	-67.8	146.9	170.3	-75.4	-43.3	0	0	0	111.2	N886 K888 F948	N886-N913 PolarHBondContact O-N 3.5Å; N886-N913 VanDerWaalsContact O-N 3.15Å; N886-N913 PolarHBondContact OD1-ND2 3.25Å; K888-N913 WeakPolarHBondContact CA-OD1 3.34Å; K888-N913 VanDerWaalsContact CB-OD1 3.3Å; K888-N913 WeakPolarHBondContact CB-OD1 3.42Å; N913-F948 WeakPolarHBondContact O-CE1 3.36Å
914	S	72.1	Confident	63.2	Low	50 Å²	50	80.7 Å²	80.7	35%	0.35	45%	0.447	S	S	.	.			trans	-86.4	-21.1	178.4	-168	0	0	0	0	113.9	I916 S942 F948	S914-I916 PolarHBondContact O-N 3.35Å; S914-S942 VanDerWaalsContact OG-CB 3.28Å; S914-S942 WeakPolarHBondContact OG-CB 3.42Å; S914-F948 VanDerWaalsContact CA-CE1 3.49Å
915	D	63.3	Low	60.6	Low	131 Å²	131	84.5 Å²	84.5	70%	0.701	47%	0.469	S	S	*	.	S	Bend	trans	-71.7	119.6	-172.6	-54.7	-36	0	0	0	109.2	L917	D915-L917 PolarHBondContact O-N 3.2Å
916	I	51.4	Low	57.9	Low	104 Å²	104	90.9 Å²	90.9	53%	0.533	50%	0.5	S	S	.	.			trans	-57.9	127.7	167.1	-59.2	170.2	0	0	0	105.9	S914 E918 T940 V1001	S914-I916 PolarHBondContact O-N 3.35Å; I916-E918 PolarHBondContact O-N 3.39Å; I916-T940 HydrophobicContact CD1-CG2 4.34Å; I916-V1001 HydrophobicContact CD1-CG1 4.27Å
917	L	43.9	Very low	55.1	Low	128 Å²	128	95.3 Å²	95.3	67%	0.67	53%	0.53	S	S	*	.			trans	-51.7	99	177.8	-87.6	138.4	0	0	0	110.4	D915 N919	D915-L917 PolarHBondContact O-N 3.2Å; L917-N919 PolarHBondContact O-N 3.37Å
918	E	33	Very low	52	Low	184 Å²	184	97.5 Å²	97.5	86%	0.86	56%	0.556	S	S	*	*			trans	-63.4	115.5	156	-75.1	-174.6	164.1	0	0	107	I916 S920	I916-E918 PolarHBondContact O-N 3.39Å; E918-S920 PolarHBondContact O-N 3.44Å
919	N	28.2	Very low	48.8	Very low	164 Å²	164	105.1 Å²	105.1	88%	0.877	60%	0.597	S	S	*	*			trans	-13.9	94	172.7	-75.6	-21.8	0	0	0	115.4	L917	L917-N919 PolarHBondContact O-N 3.37Å
920	S	28.1	Very low	45.4	Very low	92 Å²	92	110.5 Å²	110.5	64%	0.643	63%	0.633	S	S	*	*			trans	-96.7	88.4	162.7	64.4	0	0	0	0	109.7	E918	E918-S920 PolarHBondContact O-N 3.44Å
921	N	26.2	Very low	42.2	Very low	147 Å²	147	116.9 Å²	116.9	79%	0.786	67%	0.672	S	S	*	*			trans	51.7	74.3	151.9	-64.8	-31.2	0	0	0	118.3	K923	N921-K923 VanDerWaalsContact C-N 3.32Å; N921-K923 PolarHBondContact O-N 2.73Å
922	T	28.4	Very low	39.2	Very low	143 Å²	143	123.2 Å²	123.2	88%	0.877	70%	0.7	S	S	*	*			trans	-75.7	88.5	146.4	44.4	0	0	0	0	108.6	G924	T922-G924 PolarHBondContact O-N 2.71Å
923	K	26.6	Very low	36.2	Very low	175 Å²	175	129.3 Å²	129.3	76%	0.761	74%	0.735	S	S	*	*			trans	-73.6	111.9	158.4	-84	-172.2	173.5	-173.8	0	107.8	N921	N921-K923 VanDerWaalsContact C-N 3.32Å; N921-K923 PolarHBondContact O-N 2.73Å
924	G	26	Very low	33.4	Very low	65 Å²	65	134.3 Å²	134.3	67%	0.67	76%	0.76	S	S	*	*			trans	81.2	80.1	159.7	0	0	0	0	0	116.2	T922	T922-G924 PolarHBondContact O-N 2.71Å
925	L	26.7	Very low	31.2	Very low	162 Å²	162	139.3 Å²	139.3	85%	0.848	78%	0.781	S	S	*	*			trans	-145.1	89.8	147.4	-121.9	105.9	0	0	0	107.4	S927	L925-S927 PolarHBondContact O-N 3.26Å
926	D	26.6	Very low	29.5	Very low	172 Å²	172	137.9 Å²	137.9	92%	0.92	78%	0.777	S	S	*	*			trans	-72.2	97.7	170.4	-77.9	-34.8	0	0	0	108.7
927	S	30.9	Very low	28.4	Very low	104 Å²	104	136.9 Å²	136.9	73%	0.727	79%	0.792	S	S	*	*			trans	-152.7	118.8	144.7	56.2	0	0	0	0	108.9	L925	L925-S927 PolarHBondContact O-N 3.26Å
928	A	28.1	Very low	28	Very low	92 Å²	92	134.2 Å²	134.2	76%	0.76	78%	0.784	S	S	*	*			trans	-70.8	121.2	179.7	0	0	0	0	0	109.7
929	D	28.1	Very low	28.2	Very low	160 Å²	160	135.4 Å²	135.4	86%	0.856	79%	0.786	S	S	*	*				178.4	143.7	119	-95.4	-28.3	0	0	0	110.7
930	C	25.3	Very low	28.9	Very low	125 Å²	125	131.5 Å²	131.5	85%	0.845	77%	0.769	S	S	*	*			trans	83.1	66.6	174.7	-127.6	0	0	0	0	117.7
931	T	26.9	Very low	29.9	Very low	133 Å²	133	132.8 Å²	132.8	82%	0.816	77%	0.773	S	S	*	*			trans	-128.9	95.8	148.9	25.4	0	0	0	0	110.1	N933	T931-N933 PolarHBondContact O-N 2.95Å
932	Q	28.3	Very low	31.3	Very low	186 Å²	186	129.4 Å²	129.4	87%	0.869	76%	0.761	S	S	*	*			trans	-66	119.4	157.2	-78.5	-177.6	-16.6	0	0	107.9	I934	Q932-I934 PolarHBondContact O-N 3.48Å; Q932-I934 VanDerWaalsContact O-N 3.07Å
933	N	26	Very low	32.4	Very low	150 Å²	150	123.5 Å²	123.5	80%	0.802	73%	0.725	S	S	*	*			trans	-57.2	104.7	175.6	-68.4	-50.5	0	0	0	111.2	T931	T931-N933 PolarHBondContact O-N 2.95Å
934	I	27.1	Very low	34.2	Very low	153 Å²	153	120.7 Å²	120.7	79%	0.785	73%	0.728	S	S	*	*			trans	-90	101.7	161.5	-62.8	178.3	0	0	0	107.5	Q932 V936	Q932-I934 PolarHBondContact O-N 3.48Å; Q932-I934 VanDerWaalsContact O-N 3.07Å; I934-V936 HydrophobicContact CG2-CG2 3.85Å
935	I	25.6	Very low	36.4	Very low	156 Å²	156	118.6 Å²	118.6	80%	0.8	70%	0.702	S	S	*	*			trans	-83.7	112.4	166.7	-60.8	169.8	0	0	0	107
936	V	28.4	Very low	38.6	Very low	100 Å²	100	113.9 Å²	113.9	61%	0.606	69%	0.693	S	S	*	*			trans	-142	104	163.1	-174.9	0	0	0	0	111.4	I934 S938	I934-V936 HydrophobicContact CG2-CG2 3.85Å; V936-S938 VanDerWaalsContact CG1-OG 3.26Å; V936-S938 WeakPolarHBondContact CG1-OG 3.49Å; V936-S938 PolarHBondContact O-N 3.49Å
937	G	28.6	Very low	40.9	Very low	83 Å²	83	107.1 Å²	107.1	86%	0.856	66%	0.659	S	S	*	*			trans	-77.6	99.9	149	0	0	0	0	0	109
938	S	34.7	Very low	43.5	Very low	72 Å²	72	103.6 Å²	103.6	50%	0.503	63%	0.63	S	S	.	*			trans	-152	131.4	161.3	71.4	0	0	0	0	107.4	V936 T940	V936-S938 VanDerWaalsContact CG1-OG 3.26Å; V936-S938 WeakPolarHBondContact CG1-OG 3.49Å; V936-S938 PolarHBondContact O-N 3.49Å; S938-T940 VanDerWaalsContact C-N 3.31Å; S938-T940 PolarHBondContact O-N 3.02Å
939	K	38.3	Very low	46.3	Very low	209 Å²	209	104.7 Å²	104.7	91%	0.909	62%	0.616	S	S	*	*			trans	-54.7	95.7	171.7	-68.1	175.8	176.2	177.8	0	108.2	T941	K939-T941 PolarHBondContact O-N 3.12Å
940	T	42.3	Very low	49.3	Very low	82 Å²	82	98.1 Å²	98.1	50%	0.503	58%	0.58	S	S	.	*			trans	-66.1	105.4	173.7	32.1	0	0	0	0	107	I916 S938 S942 V1001	I916-T940 HydrophobicContact CD1-CG2 4.34Å; S938-T940 VanDerWaalsContact C-N 3.31Å; S938-T940 PolarHBondContact O-N 3.02Å; T940-S942 PolarHBondContact O-N 2.88Å; T940-V1001 HydrophobicContact CG2-CG1 4.01Å
941	T	49.5	Very low	52.4	Low	119 Å²	119	94.9 Å²	94.9	73%	0.73	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-58.7	122.9	163.8	45.3	0	0	0	0	107.2	K939	K939-T941 PolarHBondContact O-N 3.12Å
942	S	53.8	Low	55.6	Low	76 Å²	76	88.7 Å²	88.7	53%	0.531	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-47.8	129.3	172.6	56.5	0	0	0	0	109.2	S914 T940 S944	S914-S942 VanDerWaalsContact OG-CB 3.28Å; S914-S942 WeakPolarHBondContact OG-CB 3.42Å; T940-S942 PolarHBondContact O-N 2.88Å; S942-S944 PolarHBondContact O-N 3.45Å
943	P	53.3	Low	58.6	Low	19 Å²	19	83.4 Å²	83.4	12%	0.123	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-60.5	139.2	-178.3	15.9	-19.9	0	0	0	109.5	C945 F948 E997 V1001	P943-C945 PolarHBondContact O-N 3.36Å; P943-F948 HydrophobicContact CG-CE2 3.92Å; P943-F948 HydrophobicContact CG-CZ 4.23Å; P943-E997 HydrophobicContact CB-CB 4.36Å; P943-V1001 HydrophobicContact CB-CG2 3.81Å; P943-V1001 HydrophobicContact CG-CB 4.14Å; P943-V1001 HydrophobicContact CG-CG2 3.8Å
944	S	63.8	Low	61.6	Low	117 Å²	117	77.9 Å²	77.9	82%	0.818	46%	0.459	S	S	*	.	S	Bend	trans	-65.1	-3.7	-179.3	43.9	0	0	0	0	114.2	S942	S942-S944 PolarHBondContact O-N 3.45Å
945	C	71.5	Confident	64.5	Low	20 Å²	20	70.9 Å²	70.9	14%	0.135	42%	0.423	C	S	.	.	S	Bend	trans	-67.1	144.7	179.8	69.3	0	0	0	0	112.5	P943 C947 E997 C998	P943-C945 PolarHBondContact O-N 3.36Å; C945-C947 PolarHBondContact O-N 3.35Å; C945-C947 VanDerWaalsContact O-N 3.11Å; C945-E997 HydrophobicContact CB-CB 4.37Å; C945-E997 WeakPolarHBondContact CB-OE2 3.46Å; C945-C998 PolarHBondContact SG-SG 3.01Å
946	G	73.1	Confident	67.4	Low	64 Å²	64	66 Å²	66	66%	0.66	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-71.9	5	176.3	0	0	0	0	0	115.5	F948 Y949	G946-F948 PolarHBondContact O-N 3.15Å; G946-F948 VanDerWaalsContact O-N 3.09Å; G946-Y949 PolarHBondContact O-N 3.41Å
947	C	75.6	Confident	70.2	Confident	30 Å²	30	63.8 Å²	63.8	20%	0.203	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-65.3	-14	-171.9	-63.3	0	0	0	0	115	C945 Y949 C995 C998	C945-C947 PolarHBondContact O-N 3.35Å; C945-C947 VanDerWaalsContact O-N 3.11Å; C947-Y949 VanDerWaalsContact C-N 3.26Å; C947-C995 VanDerWaalsContact SG-SG 3.64Å; C947-C998 VanDerWaalsContact CB-SG 3.58Å
948	F	84.5	Confident	73.1	Confident	29 Å²	29	60.5 Å²	60.5	13%	0.127	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-75.9	-14.4	173.8	-66.6	-86.1	0	0	0	113.3	L911 W912 N913 S914 P943 G946 R992	L911-F948 CarbonylContact C-O 3.56Å; L911-F948 WeakPolarHBondContact CA-O 3.28Å; W912-F948 HydrophobicContact CB-CD1 4.14Å; W912-F948 VanDerWaalsContact CD1-O 3.29Å; W912-F948 PolarHBondContact N-O 2.86Å; N913-F948 WeakPolarHBondContact O-CE1 3.36Å; S914-F948 VanDerWaalsContact CA-CE1 3.49Å; P943-F948 HydrophobicContact CG-CE2 3.92Å; P943-F948 HydrophobicContact CG-CZ 4.23Å; G946-F948 PolarHBondContact O-N 3.15Å; G946-F948 VanDerWaalsContact O-N 3.09Å; F948-R992 VanDerWaalsContact CD1-NH1 3.29Å
949	Y	87.7	Confident	75.6	Confident	115 Å²	115	65.3 Å²	65.3	45%	0.451	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.3	171.5	178.3	-100.7	0	0	0	109.6	C909 L910 G946 C947 E951	C909-Y949 HydrophobicContact CB-CE2 3.96Å; C909-Y949 PolarHBondContact SG-OH 2.76Å; C909-Y949 VanDerWaalsContact SG-OH 3.35Å; L910-Y949 WeakPolarHBondContact O-CA 3.28Å; G946-Y949 PolarHBondContact O-N 3.41Å; C947-Y949 VanDerWaalsContact C-N 3.26Å; Y949-E951 HydrophobicContact CE1-CG 3.67Å; Y949-E951 WeakPolarHBondContact OH-CG 3.43Å; Y949-E951 PolarHBondContact OH-OE1 3.35Å
950	M	90.1	Very high	78.2	Confident	22 Å²	22	55.4 Å²	55.4	11%	0.108	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136	179.6	-171.8	-178.4	-58.9	0	0	110.2	L910 W912 I952 L990 R992	L910-M950 HydrophobicContact CB-CB 4.41Å; L910-M950 PolarHBondContact N-O 3.08Å; L910-M950 PolarHBondContact O-N 3.4Å; W912-M950 HydrophobicContact CZ2-CE 4.28Å; M950-I952 HydrophobicContact CG-CD1 4.02Å; M950-I952 HydrophobicContact SD-CD1 3.68Å; M950-I952 HydrophobicContact SD-CG1 4.5Å; M950-L990 HydrophobicContact SD-CD2 3.92Å; M950-R992 HydrophobicContact CE-CB 4.49Å; M950-R992 HydrophobicContact CE-CG 4.04Å
951	E	91.6	Very high	80.6	Confident	58 Å²	58	52.5 Å²	52.5	27%	0.271	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.2	167.5	-61.1	-170.4	153.7	0	0	108.9	K907 L908 Y949 K953	K907-E951 IonicContact NZ-OE1 2.95Å; K907-E951 PolarHBondContact NZ-OE1 3.06Å; K907-E951 IonicContact NZ-OE2 3.37Å; L908-E951 CarbonylContact O-C 3.58Å; L908-E951 WeakPolarHBondContact O-CA 3.4Å; Y949-E951 HydrophobicContact CE1-CG 3.67Å; Y949-E951 WeakPolarHBondContact OH-CG 3.43Å; Y949-E951 PolarHBondContact OH-OE1 3.35Å; E951-K953 WeakPolarHBondContact OE2-CE 3.46Å; E951-K953 IonicContact OE2-NZ 3.33Å; E951-K953 PolarHBondContact OE2-NZ 3.21Å
952	I	93.7	Very high	82.7	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.3	172.3	-58.8	-59.9	0	0	0	108.7	V859 I862 F867 K907 L908 L910 M950 V958 L990	V859-I952 HydrophobicContact CG1-CG2 4.33Å; V859-I952 HydrophobicContact CG2-CG2 3.84Å; I862-I952 WeakPolarHBondContact CD1-O 3.31Å; F867-I952 HydrophobicContact CD2-CG2 4.18Å; F867-I952 HydrophobicContact CE2-CG2 4.31Å; F867-I952 HydrophobicContact CG-CG2 4.28Å; K907-I952 CarbonylContact C-O 3.51Å; K907-I952 VanDerWaalsContact CA-O 3.26Å; K907-I952 WeakPolarHBondContact CA-O 3.43Å; L908-I952 HydrophobicContact CB-CB 4.24Å; L908-I952 PolarHBondContact N-O 3.25Å; L908-I952 PolarHBondContact O-N 2.89Å; L910-I952 HydrophobicContact CD1-CG1 3.74Å; L910-I952 HydrophobicContact CG-CG1 4.35Å; M950-I952 HydrophobicContact CG-CD1 4.02Å; M950-I952 HydrophobicContact SD-CD1 3.68Å; M950-I952 HydrophobicContact SD-CG1 4.5Å; I952-V958 HydrophobicContact CD1-CG1 3.9Å; I952-L990 HydrophobicContact CD1-CD2 3.98Å; I952-L990 HydrophobicContact CG1-CD2 4.23Å
953	K	90.7	Very high	84.5	Confident	75 Å²	75	44.2 Å²	44.2	33%	0.326	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	161.7	-178.6	-65	168.3	-172.3	161.2	0	110.6	V859 I862 K907 E951 F955 D956	V859-K953 WeakPolarHBondContact CB-O 3.44Å; V859-K953 WeakPolarHBondContact CG1-O 3.28Å; I862-K953 VanDerWaalsContact CD1-CA 3.41Å; K907-K953 HydrophobicContact CB-CG 3.85Å; E951-K953 WeakPolarHBondContact OE2-CE 3.46Å; E951-K953 IonicContact OE2-NZ 3.33Å; E951-K953 PolarHBondContact OE2-NZ 3.21Å; K953-F955 PolarHBondContact O-N 3.28Å; K953-D956 PolarHBondContact N-OD2 3.34Å; K953-D956 WeakPolarHBondContact O-CB 3.39Å; K953-D956 PolarHBondContact O-N 2.81Å
954	L	89.7	Confident	86.2	Confident	33 Å²	33	44.6 Å²	44.6	17%	0.173	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	138.7	172.8	-174.3	70.2	0	0	0	108.9	T860 I862 D956	T860-L954 WeakPolarHBondContact O-CD1 3.34Å; I862-L954 VanDerWaalsContact CD1-N 3.35Å; L954-D956 PolarHBondContact O-N 3.07Å
955	F	88	Confident	87	Confident	7 Å²	7	42.5 Å²	42.5	3%	0.031	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-4.5	-174.2	-62.2	-80.8	0	0	0	117	L645 A648 I650 R728 V731 L735 V859 K953 V957	L645-F955 HydrophobicContact CD2-CE1 4.28Å; L645-F955 HydrophobicContact CD2-CE2 4.11Å; L645-F955 HydrophobicContact CD2-CZ 3.42Å; L645-F955 VanDerWaalsContact CD2-CZ 3.42Å; A648-F955 HydrophobicContact CB-CD2 3.26Å; A648-F955 HydrophobicContact CB-CE2 3.47Å; A648-F955 VanDerWaalsContact CB-CE2 3.47Å; A648-F955 HydrophobicContact CB-CG 4.2Å; I650-F955 HydrophobicContact CD1-CE1 4.13Å; I650-F955 HydrophobicContact CD1-CZ 4.4Å; R728-F955 HydrophobicContact CB-CD1 4.21Å; R728-F955 HydrophobicContact CG-CB 4.21Å; R728-F955 HydrophobicContact CG-CD1 4.09Å; V731-F955 HydrophobicContact CB-CD1 3.83Å; V731-F955 HydrophobicContact CB-CE1 3.56Å; V731-F955 HydrophobicContact CB-CZ 4.5Å; V731-F955 HydrophobicContact CG1-CD1 3.75Å; V731-F955 HydrophobicContact CG1-CE1 3.31Å; V731-F955 HydrophobicContact CG1-CZ 3.82Å; L735-F955 HydrophobicContact CD1-CZ 3.99Å; V859-F955 PolarHBondContact O-N 3.48Å; K953-F955 PolarHBondContact O-N 3.28Å; F955-V957 PolarHBondContact O-N 2.84Å
956	D	87.4	Confident	86.4	Confident	52 Å²	52	46.2 Å²	46.2	28%	0.278	25%	0.249	S	C	.	.			trans	-58.6	134.1	175.6	-75.9	-4.6	0	0	0	110.2	A858 V859 K953 L954 V958	A858-D956 WeakPolarHBondContact CA-O 3.31Å; V859-D956 HydrophobicContact CG2-CB 4.15Å; V859-D956 WeakPolarHBondContact CG2-O 3.49Å; V859-D956 PolarHBondContact N-O 2.88Å; K953-D956 PolarHBondContact N-OD2 3.34Å; K953-D956 WeakPolarHBondContact O-CB 3.39Å; K953-D956 PolarHBondContact O-N 2.81Å; L954-D956 PolarHBondContact O-N 3.07Å; D956-V958 HydrophobicContact CB-CG1 4.26Å
957	V	87	Confident	85.1	Confident	55 Å²	55	46.5 Å²	46.5	33%	0.333	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.8	172	178.9	0	0	0	0	107.9	E724 A727 V856 C857 F955	E724-V957 HydrophobicContact CB-CG2 4.38Å; E724-V957 HydrophobicContact CG-CG2 3.99Å; A727-V957 HydrophobicContact CB-CG2 3.61Å; V856-V957 HydrophobicContact CG1-CG1 3.27Å; C857-V957 CarbonylContact O-C 3.04Å; C857-V957 WeakPolarHBondContact O-CA 3.46Å; F955-V957 PolarHBondContact O-N 2.84Å
958	V	88.2	Confident	83.3	Confident	13 Å²	13	47.2 Å²	47.2	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	156.3	-175	-63.7	0	0	0	0	110	C857 V859 V869 I952 D956 L990	C857-V958 HydrophobicContact CB-CG2 4.2Å; C857-V958 PolarHBondContact N-O 3.32Å; C857-V958 PolarHBondContact O-N 2.91Å; V859-V958 HydrophobicContact CG2-CG1 4.18Å; V859-V958 HydrophobicContact CG2-CG2 4.25Å; V869-V958 HydrophobicContact CG1-CG2 4.16Å; I952-V958 HydrophobicContact CD1-CG1 3.9Å; D956-V958 HydrophobicContact CB-CG1 4.26Å; V958-L990 HydrophobicContact CB-CD1 3.67Å; V958-L990 HydrophobicContact CG1-CD1 4.02Å; V958-L990 HydrophobicContact CG2-CD1 4.13Å
959	R	88.8	Confident	80.7	Confident	174 Å²	174	49 Å²	49	66%	0.657	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	132	167.3	-67.8	-171.6	178.4	-172.6	-2.3	109.2	E855 L991	E855-R959 CarbonylContact O-C 3.59Å; E855-R959 VanDerWaalsContact O-CA 3.3Å; E855-R959 WeakPolarHBondContact O-CA 3.23Å; R959-L991 HydrophobicContact CB-CB 4.21Å; R959-L991 HydrophobicContact CB-CD1 4.1Å; R959-L991 WeakPolarHBondContact O-CB 3.39Å; R959-L991 PolarHBondContact O-N 2.88Å
960	C	92	Very high	78	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.6	176.4	-65.2	0	0	0	0	110	N854 E855 V988 T989	N854-C960 CarbonylContact C-O 3.47Å; N854-C960 WeakPolarHBondContact CA-O 3.35Å; E855-C960 PolarHBondContact N-O 3.25Å; E855-C960 PolarHBondContact O-N 3.35Å; C960-V988 HydrophobicContact CB-CG1 3.62Å; C960-T989 CarbonylContact C-O 3.4Å; C960-T989 WeakPolarHBondContact CA-O 3.45Å; C960-T989 WeakPolarHBondContact CB-O 3.43Å
961	C	92.7	Very high	75.2	Confident	22 Å²	22	55 Å²	55	15%	0.149	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.9	162.3	173.1	0	0	0	0	108	F853 V988 T989 L991	F853-C961 CarbonylContact O-C 3.54Å; F853-C961 WeakPolarHBondContact O-CA 3.48Å; C961-V988 WeakPolarHBondContact O-CA 3.37Å; C961-T989 PolarHBondContact N-O 3.36Å; C961-T989 PolarHBondContact O-N 3.06Å; C961-T989 PolarHBondContact O-OG1 3.43Å; C961-L991 HydrophobicContact CB-CD1 4.46Å; C961-L991 HydrophobicContact CB-CD2 3.9Å; C961-L991 HydrophobicContact CB-CG 4.26Å
962	V	92.8	Very high	72.2	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116	171	-177.1	0	0	0	0	106.6	F843 V847 P852 F853 E855 I871 L986	F843-V962 HydrophobicContact CE1-CG1 3.95Å; F843-V962 HydrophobicContact CZ-CG1 4.21Å; V847-V962 HydrophobicContact CG1-CG1 4.28Å; V847-V962 HydrophobicContact CG2-CG1 3.94Å; P852-V962 WeakPolarHBondContact CA-O 3.41Å; F853-V962 HydrophobicContact CD2-CB 4.22Å; F853-V962 HydrophobicContact CE2-CB 3.96Å; F853-V962 HydrophobicContact CE2-CG1 4.38Å; F853-V962 HydrophobicContact CE2-CG2 4.31Å; F853-V962 HydrophobicContact CZ-CB 4.34Å; F853-V962 HydrophobicContact CZ-CG1 4.3Å; F853-V962 PolarHBondContact N-O 3.29Å; F853-V962 PolarHBondContact O-N 3Å; E855-V962 HydrophobicContact CB-CG2 3.98Å; E855-V962 HydrophobicContact CG-CG2 3.85Å; I871-V962 HydrophobicContact CD1-CG2 4.07Å; V962-L986 HydrophobicContact CG1-CD2 4.24Å
963	S	92.4	Very high	69.3	Low	20 Å²	20	61.8 Å²	61.8	14%	0.14	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	173.8	177.3	67.5	0	0	0	0	110	L986 L987	S963-L986 WeakPolarHBondContact O-CA 3.38Å; S963-L987 PolarHBondContact N-O 3.45Å; S963-L987 PolarHBondContact O-N 2.95Å; S963-L987 PolarHBondContact OG-O 3.02Å
964	V	89.6	Confident	66.6	Low	28 Å²	28	60.9 Å²	60.9	17%	0.17	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.5	171.6	170.8	0	0	0	0	107.6	V844 V847 K848 S966 P984 K985	V844-V964 HydrophobicContact CG1-CG2 4.47Å; V847-V964 HydrophobicContact CB-CG2 3.85Å; V847-V964 HydrophobicContact CG1-CG2 3.76Å; K848-V964 HydrophobicContact CB-CG2 4.29Å; V964-S966 VanDerWaalsContact C-N 3.34Å; V964-S966 PolarHBondContact O-N 2.85Å; V964-P984 HydrophobicContact CB-CB 4.41Å; V964-P984 HydrophobicContact CG1-CB 2.97Å; V964-P984 HydrophobicContact CG1-CG 4.14Å; V964-K985 CarbonylContact C-O 3.6Å; V964-K985 WeakPolarHBondContact CA-O 3.45Å
965	D	80.3	Confident	64	Low	73 Å²	73	69.6 Å²	69.6	39%	0.39	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	96.3	169.4	-171.3	6.4	0	0	0	107.9	C967 K985 L987	D965-C967 PolarHBondContact O-N 3.35Å; D965-K985 HydrophobicContact CB-CB 4.41Å; D965-K985 PolarHBondContact N-O 3.4Å; D965-L987 HydrophobicContact CB-CB 4.36Å
966	S	59.3	Low	61.7	Low	97 Å²	97	71.3 Å²	71.3	68%	0.678	40%	0.404	S	S	*	.			trans	-69	88.9	168.3	54.9	0	0	0	0	107.3	V964 S968	V964-S966 VanDerWaalsContact C-N 3.34Å; V964-S966 PolarHBondContact O-N 2.85Å; S966-S968 PolarHBondContact O-N 3.35Å
967	C	45.6	Very low	59.1	Low	71 Å²	71	71.6 Å²	71.6	48%	0.48	42%	0.42	S	S	.	.			trans	-57.9	98.2	157.5	-88.4	0	0	0	0	108	D965	D965-C967 PolarHBondContact O-N 3.35Å
968	S	37	Very low	56.9	Low	45 Å²	45	73 Å²	73	32%	0.315	42%	0.419	S	S	.	.			trans	60.9	119	164.1	51.1	0	0	0	0	117.7	S966 N980	S966-S968 PolarHBondContact O-N 3.35Å; S968-N980 PolarHBondContact OG-ND2 3.37Å
969	S	29.4	Very low	54.5	Low	66 Å²	66	76.6 Å²	76.6	46%	0.462	44%	0.443	S	S	.	.			trans	-34.7	148.8	155	48.8	0	0	0	0	112.8	D971 D972	S969-D971 PolarHBondContact O-N 3.14Å; S969-D972 PolarHBondContact O-N 3.38Å; S969-D972 VanDerWaalsContact O-N 3.08Å
970	V	32.5	Very low	52.3	Low	138 Å²	138	72 Å²	72	84%	0.836	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.9	-18.2	173.8	-178.7	0	0	0	0	114
971	D	30.5	Very low	50.2	Low	126 Å²	126	72.8 Å²	72.8	67%	0.674	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-15	179.8	-66.9	-22.2	0	0	0	116.6	S969 V973	S969-D971 PolarHBondContact O-N 3.14Å; D971-V973 PolarHBondContact O-N 2.97Å
972	D	29.4	Very low	48.4	Very low	109 Å²	109	76.4 Å²	76.4	58%	0.583	45%	0.453	S	S	*	.			trans	-86.7	53.3	169.1	-83.4	-28.2	0	0	0	110.5	S969 S974	S969-D972 PolarHBondContact O-N 3.38Å; S969-D972 VanDerWaalsContact O-N 3.08Å; D972-S974 PolarHBondContact O-N 3.38Å
973	V	32.2	Very low	47	Very low	93 Å²	93	78.2 Å²	78.2	56%	0.564	46%	0.463	S	S	*	.			trans	-63.8	87.7	148.8	-175.4	0	0	0	0	105.1	D971 Q975	D971-V973 PolarHBondContact O-N 2.97Å; V973-Q975 PolarHBondContact O-N 3.22Å
974	S	33.7	Very low	45.9	Very low	57 Å²	57	78.7 Å²	78.7	40%	0.399	47%	0.465	S	S	.	.			trans	-38.7	139.9	157.4	57.7	0	0	0	0	107.6	D972 S976 G977	D972-S974 PolarHBondContact O-N 3.38Å; S974-S976 WeakPolarHBondContact CB-OG 3.48Å; S974-S976 CarbonylContact O-C 3.06Å; S974-S976 WeakPolarHBondContact O-CA 3.47Å; S974-S976 PolarHBondContact O-N 3.14Å; S974-S976 PolarHBondContact OG-OG 2.99Å; S974-G977 PolarHBondContact O-N 2.83Å
975	Q	34.4	Very low	45.6	Very low	216 Å²	216	83.7 Å²	83.7	100%	1.009	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-4.8	-179	-70.4	177.6	-11.7	0	0	114.5	V973	V973-Q975 PolarHBondContact O-N 3.22Å
976	S	39.8	Very low	46	Very low	42 Å²	42	81.4 Å²	81.4	29%	0.294	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.4	170.4	39.8	0	0	0	0	118.3	S974 R978	S974-S976 WeakPolarHBondContact CB-OG 3.48Å; S974-S976 CarbonylContact O-C 3.06Å; S974-S976 WeakPolarHBondContact O-CA 3.47Å; S974-S976 PolarHBondContact O-N 3.14Å; S974-S976 PolarHBondContact OG-OG 2.99Å; S976-R978 VanDerWaalsContact C-N 3.31Å; S976-R978 PolarHBondContact O-N 3.25Å
977	G	34.2	Very low	47.6	Very low	59 Å²	59	79 Å²	79	61%	0.608	45%	0.452	S	S	*	.			trans	69.7	13.2	169.1	0	0	0	0	0	117.1	S974	S974-G977 PolarHBondContact O-N 2.83Å
978	R	39	Very low	49.9	Very low	83 Å²	83	75.9 Å²	75.9	31%	0.313	43%	0.43	S	S	.	.			trans	-117.3	130.9	175.5	-69.5	-171.9	175.9	-152.7	-2	110.9	Y294 V297 E320 S976	Y294-R978 PolarHBondContact OH-NH2 3.26Å; V297-R978 VanDerWaalsContact CG2-NH1 3.26Å; E320-R978 IonicContact OE1-CZ 3.6Å; E320-R978 IonicContact OE1-NH1 3.51Å; E320-R978 PolarHBondContact OE1-NH1 3.45Å; E320-R978 IonicContact OE1-NH2 3.86Å; E320-R978 IonicContact OE2-NH1 3.08Å; S976-R978 VanDerWaalsContact C-N 3.31Å; S976-R978 PolarHBondContact O-N 3.25Å
979	P	39	Very low	52.6	Low	89 Å²	89	75 Å²	75	58%	0.578	42%	0.423	S	S	*	.			trans	-66.1	154.5	177.5	24.9	-31.3	0	0	0	112.2	T981	P979-T981 VanDerWaalsContact O-CG2 3.24Å; P979-T981 WeakPolarHBondContact O-CG2 3.36Å; P979-T981 PolarHBondContact O-N 2.88Å
980	N	42	Very low	55.6	Low	79 Å²	79	72.2 Å²	72.2	42%	0.422	40%	0.403	S	S	.	.			trans	-62.8	126.2	173.3	-103.3	-25.3	0	0	0	110.2	N296 S968	N296-N980 PolarHBondContact ND2-OD1 2.6Å; S968-N980 PolarHBondContact OG-ND2 3.37Å
981	T	48.6	Very low	58.2	Low	15 Å²	15	68.1 Å²	68.1	9%	0.092	38%	0.376	C	S	.	.			trans	-100.5	9.2	-156.5	57.7	0	0	0	0	115	N296 R298 C323 P979	N296-T981 HydrophobicContact CB-CG2 4.37Å; N296-T981 WeakPolarHBondContact CB-OG1 3.43Å; N296-T981 WeakPolarHBondContact O-CB 3.44Å; N296-T981 PolarHBondContact O-OG1 3.29Å; R298-T981 PolarHBondContact NE-O 3.44Å; R298-T981 PolarHBondContact NH2-O 3.29Å; R298-T981 VanDerWaalsContact NH2-O 3.14Å; C323-T981 HydrophobicContact CB-CG2 4.16Å; C323-T981 WeakPolarHBondContact SG-CG2 3.47Å; P979-T981 VanDerWaalsContact O-CG2 3.24Å; P979-T981 WeakPolarHBondContact O-CG2 3.36Å; P979-T981 PolarHBondContact O-N 2.88Å
982	L	55.5	Low	60.8	Low	98 Å²	98	65.5 Å²	65.5	51%	0.513	36%	0.357	S	S	.	.	S	Bend	trans	-88.1	135.2	-175.3	-73.5	165.8	0	0	0	109.9
983	L	62.2	Low	63	Low	39 Å²	39	64.2 Å²	64.2	20%	0.204	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-47.3	129.7	165.3	-165.7	92.8	0	0	0	107.8	L328 E332 L841 V844 K985	L328-L983 HydrophobicContact CD1-CD1 4.32Å; E332-L983 HydrophobicContact CB-CD1 4.21Å; E332-L983 VanDerWaalsContact CD-CD1 3.44Å; E332-L983 HydrophobicContact CG-CD1 3.36Å; L841-L983 HydrophobicContact CD1-CD1 3.44Å; L841-L983 VanDerWaalsContact CD1-CD1 3.44Å; L841-L983 HydrophobicContact CD1-CD2 4.13Å; L841-L983 HydrophobicContact CD1-CG 4.42Å; V844-L983 HydrophobicContact CB-CD2 4.44Å; V844-L983 HydrophobicContact CG1-CD2 4.16Å; V844-L983 HydrophobicContact CG1-CG 4.49Å; V844-L983 HydrophobicContact CG2-CD2 4.24Å; L983-K985 PolarHBondContact O-N 2.98Å
984	P	69.9	Low	64.8	Low	29 Å²	29	62.8 Å²	62.8	19%	0.188	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-54.4	129.7	174.6	-21.6	30.5	0	0	0	109.7	V844 V964	V844-P984 HydrophobicContact CG1-CB 4.36Å; V844-P984 WeakPolarHBondContact CG1-O 2.96Å; V964-P984 HydrophobicContact CB-CB 4.41Å; V964-P984 HydrophobicContact CG1-CB 2.97Å; V964-P984 HydrophobicContact CG1-CG 4.14Å
985	K	82.3	Confident	66.6	Low	133 Å²	133	62 Å²	62	58%	0.578	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	143.1	-176.1	-71	-178.2	-178.2	173.5	0	109.8	V964 D965 L983 L987	V964-K985 CarbonylContact C-O 3.6Å; V964-K985 WeakPolarHBondContact CA-O 3.45Å; D965-K985 HydrophobicContact CB-CB 4.41Å; D965-K985 PolarHBondContact N-O 3.4Å; L983-K985 PolarHBondContact O-N 2.98Å; K985-L987 PolarHBondContact O-N 3.23Å
986	L	89.4	Confident	68.4	Low	26 Å²	26	60.8 Å²	60.8	14%	0.136	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	124	168.4	-65.9	166.7	0	0	0	109.7	E840 F843 V844 V847 L876 K878 V962 S963	E840-L986 HydrophobicContact CG-CD1 4.5Å; F843-L986 HydrophobicContact CD1-CD1 3.58Å; F843-L986 HydrophobicContact CD1-CD2 3.8Å; F843-L986 HydrophobicContact CD1-CG 4.32Å; F843-L986 HydrophobicContact CE1-CD1 3.94Å; F843-L986 HydrophobicContact CE1-CD2 3.85Å; V844-L986 HydrophobicContact CG2-CD1 4.04Å; V844-L986 HydrophobicContact CG2-CD2 4.01Å; V844-L986 HydrophobicContact CG2-CG 3.67Å; V847-L986 HydrophobicContact CB-CD2 4.44Å; V847-L986 HydrophobicContact CG2-CD2 3.94Å; L876-L986 HydrophobicContact CD1-CD1 4.24Å; K878-L986 HydrophobicContact CD-CD1 4.31Å; V962-L986 HydrophobicContact CG1-CD2 4.24Å; S963-L986 WeakPolarHBondContact O-CA 3.38Å
987	L	92.3	Very high	69.5	Low	47 Å²	47	63.6 Å²	63.6	25%	0.246	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.3	169.1	173.4	60.4	0	0	0	107.7	N884 S963 D965 K985 T989	N884-L987 HydrophobicContact CB-CD1 4.45Å; N884-L987 VanDerWaalsContact ND2-CD1 3.25Å; N884-L987 WeakPolarHBondContact ND2-CD1 3.5Å; S963-L987 PolarHBondContact N-O 3.45Å; S963-L987 PolarHBondContact O-N 2.95Å; S963-L987 PolarHBondContact OG-O 3.02Å; D965-L987 HydrophobicContact CB-CB 4.36Å; K985-L987 PolarHBondContact O-N 3.23Å; L987-T989 HydrophobicContact CD1-CG2 4.01Å; L987-T989 HydrophobicContact CD2-CG2 4.37Å; L987-T989 HydrophobicContact CG-CG2 4Å
988	V	93.9	Very high	71.1	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	119.4	175.6	-173.7	0	0	0	0	108.4	V869 I871 K878 V880 C960 C961	V869-V988 HydrophobicContact CG2-CG1 4.02Å; I871-V988 HydrophobicContact CD1-CG2 4.37Å; K878-V988 HydrophobicContact CB-CB 4.33Å; K878-V988 HydrophobicContact CB-CG2 3.64Å; K878-V988 HydrophobicContact CG-CG2 4.04Å; V880-V988 HydrophobicContact CG2-CB 4.34Å; V880-V988 HydrophobicContact CG2-CG1 3.94Å; C960-V988 HydrophobicContact CB-CG1 3.62Å; C961-V988 WeakPolarHBondContact O-CA 3.37Å
989	T	94.4	Very high	72.2	Confident	27 Å²	27	63.9 Å²	63.9	17%	0.166	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.2	-179.6	54.8	0	0	0	0	110.4	N884 L885 C960 C961 L987	N884-T989 HydrophobicContact CB-CG2 4.36Å; L885-T989 HydrophobicContact CD2-CG2 4.44Å; C960-T989 CarbonylContact C-O 3.4Å; C960-T989 WeakPolarHBondContact CA-O 3.45Å; C960-T989 WeakPolarHBondContact CB-O 3.43Å; C961-T989 PolarHBondContact N-O 3.36Å; C961-T989 PolarHBondContact O-N 3.06Å; C961-T989 PolarHBondContact O-OG1 3.43Å; L987-T989 HydrophobicContact CD1-CG2 4.01Å; L987-T989 HydrophobicContact CD2-CG2 4.37Å; L987-T989 HydrophobicContact CG-CG2 4Å
990	L	93.5	Very high	73	Confident	7 Å²	7	66 Å²	66	4%	0.037	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	133.8	176.3	179.3	65.3	0	0	0	109.9	F867 V880 L885 L910 W912 M950 I952 V958	F867-L990 HydrophobicContact CE1-CD2 4.46Å; F867-L990 HydrophobicContact CZ-CB 4.15Å; F867-L990 HydrophobicContact CZ-CD1 4.33Å; F867-L990 HydrophobicContact CZ-CD2 4.05Å; F867-L990 HydrophobicContact CZ-CG 4.42Å; V880-L990 HydrophobicContact CG1-CB 4.27Å; L885-L990 HydrophobicContact CD1-CB 3.93Å; L885-L990 HydrophobicContact CD1-CD2 4.31Å; L885-L990 HydrophobicContact CD2-CB 3.91Å; L885-L990 VanDerWaalsContact CD2-N 3.34Å; L910-L990 HydrophobicContact CD1-CD2 3.68Å; W912-L990 HydrophobicContact CH2-CD2 4.49Å; W912-L990 HydrophobicContact CH2-CG 4.41Å; W912-L990 WeakPolarHBondContact CH2-O 3.33Å; W912-L990 HydrophobicContact CZ2-CD2 3.89Å; W912-L990 HydrophobicContact CZ2-CG 4.15Å; M950-L990 HydrophobicContact SD-CD2 3.92Å; I952-L990 HydrophobicContact CD1-CD2 3.98Å; I952-L990 HydrophobicContact CG1-CD2 4.23Å; V958-L990 HydrophobicContact CB-CD1 3.67Å; V958-L990 HydrophobicContact CG1-CD1 4.02Å; V958-L990 HydrophobicContact CG2-CD1 4.13Å
991	L	86.9	Confident	73.3	Confident	52 Å²	52	65.7 Å²	65.7	27%	0.272	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-91	131.5	170.1	-62.5	171.9	0	0	0	109.7	N854 R959 C961 S993	N854-L991 HydrophobicContact CB-CD1 3.86Å; N854-L991 VanDerWaalsContact OD1-CD1 3.23Å; N854-L991 WeakPolarHBondContact OD1-CD1 3Å; R959-L991 HydrophobicContact CB-CB 4.21Å; R959-L991 HydrophobicContact CB-CD1 4.1Å; R959-L991 WeakPolarHBondContact O-CB 3.39Å; R959-L991 PolarHBondContact O-N 2.88Å; C961-L991 HydrophobicContact CB-CD1 4.46Å; C961-L991 HydrophobicContact CB-CD2 3.9Å; C961-L991 HydrophobicContact CB-CG 4.26Å; L991-S993 PolarHBondContact O-N 2.91Å
992	R	84.5	Confident	74.6	Confident	71 Å²	71	68.3 Å²	68.3	27%	0.268	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-67.3	130.9	176.4	-171.1	-174.6	69.7	-169.9	1.3	110.3	W912 F948 M950 T994	W912-R992 HydrophobicContact CD2-CB 3.9Å; W912-R992 HydrophobicContact CD2-CG 3.83Å; W912-R992 HydrophobicContact CE3-CB 4.08Å; W912-R992 HydrophobicContact CE3-CG 4.44Å; W912-R992 HydrophobicContact CG-CG 3.92Å; W912-R992 HydrophobicContact CH2-CB 4.07Å; W912-R992 HydrophobicContact CZ2-CB 3.89Å; W912-R992 HydrophobicContact CZ2-CG 4.32Å; W912-R992 HydrophobicContact CZ3-CB 4.16Å; F948-R992 VanDerWaalsContact CD1-NH1 3.29Å; M950-R992 HydrophobicContact CE-CB 4.49Å; M950-R992 HydrophobicContact CE-CG 4.04Å; R992-T994 PolarHBondContact O-N 3.08Å
993	S	74.7	Confident	75.6	Confident	83 Å²	83	66.7 Å²	66.7	58%	0.58	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-64.3	123.7	168.1	-52.3	0	0	0	0	110.4	L991	L991-S993 PolarHBondContact O-N 2.91Å
994	T	71.1	Confident	76.3	Confident	62 Å²	62	68.2 Å²	68.2	38%	0.38	36%	0.356	S	S	.	.			trans	-109.4	144.2	177.1	48.8	0	0	0	0	110.6	R992 C998 H999	R992-T994 PolarHBondContact O-N 3.08Å; T994-C998 HydrophobicContact CG2-CB 3.91Å; T994-H999 PolarHBondContact OG1-CE1 3.25Å; T994-H999 PolarHBondContact OG1-NE2 3.03Å
995	C	71.2	Confident	76.7	Confident	42 Å²	42	70.5 Å²	70.5	28%	0.284	37%	0.366	S	S	.	.			trans	-99.7	177	168.1	75.1	0	0	0	0	110.5	C947 E997 C998 H999	C947-C995 VanDerWaalsContact SG-SG 3.64Å; C995-E997 VanDerWaalsContact C-N 3.25Å; C995-E997 PolarHBondContact O-N 3.1Å; C995-E997 PolarHBondContact SG-N 2.64Å; C995-C998 PolarHBondContact N-SG 3.39Å; C995-C998 WeakPolarHBondContact O-CB 3.31Å; C995-C998 PolarHBondContact O-N 2.93Å; C995-C998 VanDerWaalsContact SG-SG 3.64Å; C995-H999 PolarHBondContact O-CD2 3.46Å; C995-H999 VanDerWaalsContact O-CD2 3.3Å; C995-H999 PolarHBondContact O-N 3.11Å
996	K	71.8	Confident	76.3	Confident	189 Å²	189	66.6 Å²	66.6	82%	0.822	35%	0.353	S	S	*	.	H	α-helix	trans	-56.2	-38.3	176.6	-68.9	-175.9	178.3	-178.8	0	112.5	C998 H999 V1000	K996-C998 VanDerWaalsContact C-N 3.29Å; K996-C998 PolarHBondContact O-N 3.37Å; K996-H999 PolarHBondContact O-N 2.93Å; K996-H999 VanDerWaalsContact O-N 3.15Å; K996-V1000 WeakPolarHBondContact O-CG2 3.49Å; K996-V1000 PolarHBondContact O-N 2.85Å
997	E	64.4	Low	75.5	Confident	101 Å²	101	69.3 Å²	69.3	47%	0.472	37%	0.368	S	S	.	.	H	α-helix	trans	-64.6	-31.5	176.6	-58.9	-175.3	177.2	0	0	112.6	P943 C945 C995 H999 V1001	P943-E997 HydrophobicContact CB-CB 4.36Å; C945-E997 HydrophobicContact CB-CB 4.37Å; C945-E997 WeakPolarHBondContact CB-OE2 3.46Å; C995-E997 VanDerWaalsContact C-N 3.25Å; C995-E997 PolarHBondContact O-N 3.1Å; C995-E997 PolarHBondContact SG-N 2.64Å; E997-H999 VanDerWaalsContact C-N 3.3Å; E997-H999 PolarHBondContact O-N 3.26Å; E997-V1001 PolarHBondContact O-N 3.13Å
998	C	66.9	Low	74.3	Confident	11 Å²	11	70.9 Å²	70.9	7%	0.074	38%	0.376	C	S	.	.	H	α-helix	trans	-72.2	-21.5	175	-55.8	0	0	0	0	113.9	C945 C947 T994 C995 K996 V1001	C945-C998 PolarHBondContact SG-SG 3.01Å; C947-C998 VanDerWaalsContact CB-SG 3.58Å; T994-C998 HydrophobicContact CG2-CB 3.91Å; C995-C998 PolarHBondContact N-SG 3.39Å; C995-C998 WeakPolarHBondContact O-CB 3.31Å; C995-C998 PolarHBondContact O-N 2.93Å; C995-C998 VanDerWaalsContact SG-SG 3.64Å; K996-C998 VanDerWaalsContact C-N 3.29Å; K996-C998 PolarHBondContact O-N 3.37Å; C998-V1001 VanDerWaalsContact O-OXT 3.09Å
999	H	62.5	Low	72.7	Confident	137 Å²	137	76.1 Å²	76.1	63%	0.634	40%	0.403	S	S	*	.	H	α-helix	trans	-91.1	-20	178.4	-74.4	-69.5	0	0	0	112.5	T994 C995 K996 E997	T994-H999 PolarHBondContact OG1-CE1 3.25Å; T994-H999 PolarHBondContact OG1-NE2 3.03Å; C995-H999 PolarHBondContact O-CD2 3.46Å; C995-H999 VanDerWaalsContact O-CD2 3.3Å; C995-H999 PolarHBondContact O-N 3.11Å; K996-H999 PolarHBondContact O-N 2.93Å; K996-H999 VanDerWaalsContact O-N 3.15Å; E997-H999 VanDerWaalsContact C-N 3.3Å; E997-H999 PolarHBondContact O-N 3.26Å
1000	V	56.2	Low	70.9	Confident	133 Å²	133	80.2 Å²	80.2	81%	0.806	42%	0.423	S	S	*	.	H	α-helix	trans	-79.4	-31.2	175.6	172.8	0	0	0	0	111.3	K996	K996-V1000 WeakPolarHBondContact O-CG2 3.49Å; K996-V1000 PolarHBondContact O-N 2.85Å
1001	V	47.7	Very low	68.9	Low	74 Å²	74	86.8 Å²	86.8	45%	0.448	46%	0.458	S	S	.	.			trans	-82.8	0	168.6	-177.9	0	0	0	0	109.4	I916 T940 P943 E997 C998	I916-V1001 HydrophobicContact CD1-CG1 4.27Å; T940-V1001 HydrophobicContact CG2-CG1 4.01Å; P943-V1001 HydrophobicContact CB-CG2 3.81Å; P943-V1001 HydrophobicContact CG-CB 4.14Å; P943-V1001 HydrophobicContact CG-CG2 3.8Å; E997-V1001 PolarHBondContact O-N 3.13Å; C998-V1001 VanDerWaalsContact O-OXT 3.09Å

Retrieved 1,001 of 1,001 residues in 469.3 ms (Link to these results)

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