A0A077ZEZ1_TRITR Loading...

Superkiller viralicidic activity 2 2 like

AlphaFold DB , UniProt , Accession A0A077ZEZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,055 aa.

						>A0A077ZEZ1_TRITR|A0A077ZEZ1
MSSELDQEDCFFSMFESSSSAPADMLSSENLATDVNKERKEDRRRRAEELIQELMTYTEQKKSKKSSDVTEEAVADVAEENCEPPSRATVINLQTPDASCKHEVTVPPLTTYEPLRESADPPAMEFPYKLDTFQKEAIRCIENDQSVLVSAHTSAGKTVIAFYAIAYSLKREQRVVYTSPIKALSNQKYRELCEHFPDVGLLTGDVTINPSAACLVMTTEILRSMLYHGAEVMREVGWVIFDEIHYMRDRERGVVWEEAIILLPDSVHHVFLSATIPNGSQFAEWISLLHRQKCHVISTDRRPVPLQHYVYPMGGDGIYLVYNTDGVFNESRFNQAVQTFTSRSNPKLGAPERGRRGGPRQGNSSNLCNVVQLIADTKLTPVIVFNFSRRECEANAMQIFEKINFNTAKEVELINEVFQNAINLLSKEDRKLPQITTLLPVLQRGVGIHHSGLLPILKEVIEILFSEGLIKALFATETFSMGLNMPAKTVLFTCARKFDGTSHRWVSILLNSNLKTCRMSALQITSGEFIQMSGRAGRRGIDERGLVILAIDTMMGGDVAKNIIMGQPDPLNSQFRLTYNMVLNLLRVEGIHPEYMLERSFSQFQNSINLPKAIEKVKALQLKYDDMKVPNEDELTSYCVVKSKIDELKMDMLRVLTKPMYIVPFLSPGRLLHVKSGDDDFGWGVVVNFRRIIPKGQKDDSSPSYVIDVLIRVSPSCLGEKQISRIRPPKPGEAAKLEVVPVLLNCVYGISSIRVFYPKNLNNEDNRLCVLKSLEQVKMSYSDAEGGIPLLDPVNDMHIEDEGFKETAKYVEVLEKQLSSMPVRKTPDFESSMEKFEEKRELESRLNSAKAELENAQKLFHMEELQARKRVLRRLGFCTAQDVITLKGRVACEISAGDELLLTEMLFDGKFADLDPSTCAAVLSCIVFQEKAELVELNEQFTQFLVYMQRTAKRIARVSAEVNLPINEDEYIASIRPHMMPVVHAWCEGKDFATVSSMTTVFEGSIIRTMRRLEELLCEMCLAAKAMGSKELEQKFNDASVAMKRGIVFAASLYL
					

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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	29.8	Very low	28.2	Very low	246 Å²	246	168.8 Å²	168.8	100%	1.212	89%	0.891	S	S	*	*				0	145.3	0	-73.8	176.9	170.1	0	0	107.2
2	S	29.9	Very low	27.8	Very low	134 Å²	134	171.2 Å²	171.2	94%	0.937	89%	0.889	S	S	*	*			trans	-69.5	154.6	-144.2	-41.2	0	0	0	0	116.5
3	S	28.8	Very low	27.6	Very low	107 Å²	107	166 Å²	166	75%	0.748	88%	0.877	S	S	*	*			trans	-136.6	133.1	-174.6	54.3	0	0	0	0	111.4
4	E	33.7	Very low	27.4	Very low	190 Å²	190	165.6 Å²	165.6	89%	0.888	87%	0.871	S	S	*	*			trans	-172.6	108.6	164	-102.8	153.1	-157	0	0	105
5	L	31.2	Very low	27.6	Very low	151 Å²	151	168.9 Å²	168.9	79%	0.791	88%	0.876	S	S	*	*				72.4	91.4	68.7	-81	169.6	0	0	0	115.5
6	D	25.4	Very low	27.6	Very low	147 Å²	147	168.6 Å²	168.6	79%	0.786	87%	0.869	S	S	*	*			trans	44.7	123.6	133.6	-54.3	-12.7	0	0	0	121.5
7	Q	28.4	Very low	27.8	Very low	202 Å²	202	164.8 Å²	164.8	94%	0.944	86%	0.86	S	S	*	*			trans	-130.8	147.5	150.6	-88.8	-170.2	-34.8	0	0	110.8
8	E	24.8	Very low	27.8	Very low	186 Å²	186	162.1 Å²	162.1	87%	0.869	86%	0.858	S	S	*	*			trans	-72.7	157.7	179.3	-56.5	162.3	125.5	0	0	111.4
9	D	28.3	Very low	27.8	Very low	167 Å²	167	159.6 Å²	159.6	89%	0.893	85%	0.854	S	S	*	*				-164.3	143.9	120.6	-113.9	-29.9	0	0	0	112.7
10	C	25.8	Very low	27.8	Very low	128 Å²	128	157.3 Å²	157.3	87%	0.865	85%	0.852	S	S	*	*			trans	-102	135.3	-168.6	-150.1	0	0	0	0	112.4
11	F	24.2	Very low	27.8	Very low	199 Å²	199	154.1 Å²	154.1	87%	0.873	85%	0.846	S	S	*	*			trans	-75.4	142.6	-170.2	-120.2	-105.1	0	0	0	113.5
12	F	23.8	Very low	28.1	Very low	197 Å²	197	148.1 Å²	148.1	86%	0.864	83%	0.826	S	S	*	*			trans	-140.5	152.8	161.6	-136.5	-85.4	0	0	0	112.5
13	S	24.4	Very low	28.1	Very low	104 Å²	104	146.3 Å²	146.3	73%	0.727	82%	0.819	S	S	*	*			trans	78.5	116	169.9	77.7	0	0	0	0	118.9
14	M	25.4	Very low	28.1	Very low	161 Å²	161	149.4 Å²	149.4	79%	0.793	83%	0.828	S	S	*	*			trans	-151.5	117.8	136.1	-111	-171.1	173.5	0	0	107.9
15	F	29.5	Very low	27.9	Very low	215 Å²	215	148.9 Å²	148.9	94%	0.943	83%	0.827	S	S	*	*				-164.4	133.3	122.6	-102	-66.9	0	0	0	109.5
16	E	28.5	Very low	27.8	Very low	164 Å²	164	149.8 Å²	149.8	77%	0.766	83%	0.832	S	S	*	*			trans	-87	173.6	-172.9	-55	171.3	124.1	0	0	109.9
17	S	30.5	Very low	27.9	Very low	104 Å²	104	148 Å²	148	73%	0.727	83%	0.831	S	S	*	*			cis	-176.1	155.4	44.6	42.1	0	0	0	0	113.5
18	S	27.4	Very low	27.8	Very low	116 Å²	116	144.2 Å²	144.2	81%	0.811	83%	0.827	S	S	*	*			trans	21.1	152	149.2	62.2	0	0	0	0	122.6
19	S	29.1	Very low	28.2	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	82%	0.823	S	S	*	*			cis	-157.9	167.5	28.9	60.6	0	0	0	0	116.4
20	S	27.8	Very low	28.5	Very low	114 Å²	114	141.9 Å²	141.9	80%	0.797	82%	0.815	S	S	*	*			trans	-70.2	172.9	178.3	60.3	0	0	0	0	116.2
21	A	28.1	Very low	28.9	Very low	90 Å²	90	142.4 Å²	142.4	74%	0.744	81%	0.808	S	S	*	*			cis	-137.3	-108.7	13.9	0	0	0	0	0	116.8
22	P	34.9	Very low	29.5	Very low	120 Å²	120	136.6 Å²	136.6	78%	0.779	80%	0.797	S	S	*	*				-132.4	158	-126.5	40.6	-21.5	0	0	0	120.1
23	A	30.4	Very low	30.2	Very low	97 Å²	97	131.1 Å²	131.1	80%	0.802	78%	0.78	S	S	*	*			trans	34.3	113.7	147.3	0	0	0	0	0	121.3
24	D	29.1	Very low	30.9	Very low	172 Å²	172	130 Å²	130	92%	0.92	77%	0.766	S	S	*	*			trans	-148.4	144.3	132.1	-123.8	-26	0	0	0	111.1
25	M	29.8	Very low	31.7	Very low	179 Å²	179	126 Å²	126	88%	0.882	75%	0.75	S	S	*	*			trans	-89.2	123	177.2	-88.6	-167.8	166.6	0	0	110.6
26	L	27.9	Very low	32.4	Very low	170 Å²	170	121.3 Å²	121.3	89%	0.89	74%	0.735	S	S	*	*			trans	173.3	146.2	138	-93	152.7	0	0	0	111.5
27	S	28.2	Very low	33.2	Very low	110 Å²	110	119.1 Å²	119.1	77%	0.769	72%	0.723	S	S	*	*			trans	72.8	52.7	170.7	71.8	0	0	0	0	119.8	E29	S27-E29 PolarHBondContact O-N 3.2Å
28	S	26.3	Very low	33.8	Very low	122 Å²	122	120.4 Å²	120.4	85%	0.853	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	64.2	172.1	62.8	0	0	0	0	114.6
29	E	33.5	Very low	34.7	Very low	170 Å²	170	122.9 Å²	122.9	79%	0.794	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.4	-18.5	168.8	-92.6	-175.6	162.1	0	0	115.1	S27	S27-E29 PolarHBondContact O-N 3.2Å
30	N	34.6	Very low	35.6	Very low	133 Å²	133	125.2 Å²	125.2	71%	0.711	71%	0.705	S	S	*	*	S	Bend	trans	-102.3	-4.7	-173.8	-73.5	-27.9	0	0	0	116.3	T33	N30-T33 PolarHBondContact O-OG1 3.29Å
31	L	34	Very low	36.6	Very low	140 Å²	140	125.7 Å²	125.7	73%	0.733	69%	0.694	S	S	*	*	S	Bend	trans	-96.8	-22	177.9	-90.7	104.7	0	0	0	114.7	T33	L31-T33 PolarHBondContact O-N 3.15Å
32	A	35.7	Very low	37.8	Very low	77 Å²	77	126.1 Å²	126.1	64%	0.636	68%	0.684	S	S	*	*	H	α-helix	trans	-72.4	-18.2	179.8	0	0	0	0	0	113.1
33	T	39.2	Very low	38.7	Very low	81 Å²	81	127.1 Å²	127.1	50%	0.497	67%	0.672	S	S	.	*	H	α-helix	trans	-81.4	-35.9	-179.4	36.4	0	0	0	0	113.4	N30 L31 K37	N30-T33 PolarHBondContact O-OG1 3.29Å; L31-T33 PolarHBondContact O-N 3.15Å; T33-K37 PolarHBondContact O-N 2.78Å
34	D	40.2	Very low	39.7	Very low	82 Å²	82	129.9 Å²	129.9	44%	0.439	66%	0.662	S	S	.	*	H	α-helix	trans	-86.4	-34.8	-176.5	-74.4	-27.2	0	0	0	113.2	N36 K37 E38	D34-N36 PolarHBondContact O-N 3.07Å; D34-K37 WeakPolarHBondContact O-CA 3.36Å; D34-K37 WeakPolarHBondContact O-CB 3.46Å; D34-K37 PolarHBondContact O-N 2.94Å; D34-K37 WeakPolarHBondContact OD1-CD 3.49Å; D34-K37 IonicContact OD1-NZ 3.21Å; D34-K37 PolarHBondContact OD1-NZ 3.17Å; D34-E38 PolarHBondContact O-N 2.68Å
35	V	41.6	Very low	41	Very low	77 Å²	77	129 Å²	129	47%	0.467	65%	0.646	S	S	.	*	H	α-helix	trans	-61.8	-29.8	171.4	-179.3	0	0	0	0	111.8	R39	V35-R39 WeakPolarHBondContact O-CB 3.4Å; V35-R39 WeakPolarHBondContact O-CG 3.39Å; V35-R39 PolarHBondContact O-N 2.86Å; V35-R39 VanDerWaalsContact O-N 3.17Å
36	N	43.6	Very low	42.1	Very low	115 Å²	115	129.6 Å²	129.6	62%	0.615	64%	0.638	S	S	*	*	H	α-helix	trans	-79.6	-17	173.2	-106.8	-27.7	0	0	0	113.8	D34	D34-N36 PolarHBondContact O-N 3.07Å
37	K	44.6	Very low	43.1	Very low	119 Å²	119	122.9 Å²	122.9	52%	0.517	61%	0.608	S	S	.	*	H	α-helix	trans	-80	-50.2	167.5	-79.7	179.3	-169.4	151.2	0	111	T33 D34 R39 K40 E41	T33-K37 PolarHBondContact O-N 2.78Å; D34-K37 WeakPolarHBondContact O-CA 3.36Å; D34-K37 WeakPolarHBondContact O-CB 3.46Å; D34-K37 PolarHBondContact O-N 2.94Å; D34-K37 WeakPolarHBondContact OD1-CD 3.49Å; D34-K37 IonicContact OD1-NZ 3.21Å; D34-K37 PolarHBondContact OD1-NZ 3.17Å; K37-R39 VanDerWaalsContact C-N 3.32Å; K37-R39 PolarHBondContact O-N 3.48Å; K37-K40 CarbonylContact O-C 3.55Å; K37-K40 WeakPolarHBondContact O-CA 3.4Å; K37-K40 VanDerWaalsContact O-CB 3.25Å; K37-K40 WeakPolarHBondContact O-CB 3.5Å; K37-K40 PolarHBondContact O-N 2.92Å; K37-E41 PolarHBondContact O-N 2.88Å
38	E	44.5	Very low	44.3	Very low	131 Å²	131	121.6 Å²	121.6	61%	0.612	59%	0.589	S	S	*	*	H	α-helix	trans	-56.6	-46.4	178.6	-76.2	-174.7	137.3	0	0	111	D34 K40 E41 D42	D34-E38 PolarHBondContact O-N 2.68Å; E38-K40 PolarHBondContact O-N 2.77Å; E38-E41 PolarHBondContact O-N 2.8Å; E38-E41 VanDerWaalsContact O-N 3.15Å; E38-D42 PolarHBondContact O-N 2.86Å
39	R	46	Very low	45.8	Very low	167 Å²	167	120.8 Å²	120.8	63%	0.63	57%	0.572	S	S	*	*	H	α-helix	trans	-63	-23.2	173.6	-77.4	-177.3	167.6	-168.4	-2.6	114.3	V35 K37 R43	V35-R39 WeakPolarHBondContact O-CB 3.4Å; V35-R39 WeakPolarHBondContact O-CG 3.39Å; V35-R39 PolarHBondContact O-N 2.86Å; V35-R39 VanDerWaalsContact O-N 3.17Å; K37-R39 VanDerWaalsContact C-N 3.32Å; K37-R39 PolarHBondContact O-N 3.48Å; R39-R43 WeakPolarHBondContact O-CB 3.3Å; R39-R43 WeakPolarHBondContact O-CD 3.39Å; R39-R43 WeakPolarHBondContact O-CG 3.5Å; R39-R43 PolarHBondContact O-N 2.95Å
40	K	47.4	Very low	46.6	Very low	163 Å²	163	117 Å²	117	71%	0.709	56%	0.557	S	S	*	*	H	α-helix	trans	-79.9	-40.8	172.7	-113.2	-178.6	-179.3	-178.4	0	111.4	K37 E38 R44	K37-K40 CarbonylContact O-C 3.55Å; K37-K40 WeakPolarHBondContact O-CA 3.4Å; K37-K40 VanDerWaalsContact O-CB 3.25Å; K37-K40 WeakPolarHBondContact O-CB 3.5Å; K37-K40 PolarHBondContact O-N 2.92Å; E38-K40 PolarHBondContact O-N 2.77Å; K40-R44 VanDerWaalsContact O-CB 3.28Å; K40-R44 WeakPolarHBondContact O-CB 3.28Å; K40-R44 PolarHBondContact O-N 2.78Å
41	E	49.7	Very low	47.5	Very low	124 Å²	124	112.1 Å²	112.1	58%	0.579	53%	0.53	S	S	*	.	H	α-helix	trans	-70.1	-43.7	178.1	-81.5	175.2	131.8	0	0	111.7	K37 E38 R43 R44 R45	K37-E41 PolarHBondContact O-N 2.88Å; E38-E41 PolarHBondContact O-N 2.8Å; E38-E41 VanDerWaalsContact O-N 3.15Å; E41-R43 VanDerWaalsContact C-N 3.34Å; E41-R43 PolarHBondContact O-N 3.23Å; E41-R44 PolarHBondContact O-N 3.03Å; E41-R45 VanDerWaalsContact O-CB 3.23Å; E41-R45 WeakPolarHBondContact O-CB 3.35Å; E41-R45 PolarHBondContact O-N 3.43Å
42	D	53.4	Low	48.5	Very low	99 Å²	99	111.6 Å²	111.6	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-62	-38.6	173.2	-91	-6.3	0	0	0	112.8	E38 R45 R46	E38-D42 PolarHBondContact O-N 2.86Å; D42-R45 PolarHBondContact O-N 2.87Å; D42-R46 WeakPolarHBondContact O-CB 3.44Å; D42-R46 PolarHBondContact O-N 3.43Å
43	R	52.2	Low	49.5	Very low	142 Å²	142	114 Å²	114	54%	0.536	52%	0.522	S	S	.	.	H	α-helix	trans	-68.8	-39.7	175.3	-76	174.1	179.3	-125.8	-1.9	111.9	R39 E41 A47 E806	R39-R43 WeakPolarHBondContact O-CB 3.3Å; R39-R43 WeakPolarHBondContact O-CD 3.39Å; R39-R43 WeakPolarHBondContact O-CG 3.5Å; R39-R43 PolarHBondContact O-N 2.95Å; E41-R43 VanDerWaalsContact C-N 3.34Å; E41-R43 PolarHBondContact O-N 3.23Å; R43-A47 PolarHBondContact O-N 3.39Å; R43-E806 IonicContact CZ-OE1 2.76Å; R43-E806 IonicContact NH1-OE1 2.78Å; R43-E806 PolarHBondContact NH1-OE1 3.17Å; R43-E806 IonicContact NH2-OE1 2.78Å
44	R	52.7	Low	50.1	Low	155 Å²	155	114 Å²	114	59%	0.585	52%	0.518	S	S	*	.	H	α-helix	trans	-64.3	-42.7	173.4	177.1	-178.9	160.9	-156.4	-16.8	110.7	K40 E41 A47 E48	K40-R44 VanDerWaalsContact O-CB 3.28Å; K40-R44 WeakPolarHBondContact O-CB 3.28Å; K40-R44 PolarHBondContact O-N 2.78Å; E41-R44 PolarHBondContact O-N 3.03Å; R44-A47 WeakPolarHBondContact O-CB 3.34Å; R44-A47 PolarHBondContact O-N 3.02Å; R44-E48 HydrophobicContact CG-CG 4.47Å; R44-E48 IonicContact CZ-OE1 3.98Å; R44-E48 VanDerWaalsContact CZ-OE1 3.24Å; R44-E48 IonicContact NE-OE1 3.69Å; R44-E48 PolarHBondContact NE-OE1 2.94Å; R44-E48 IonicContact NH2-OE1 3.11Å; R44-E48 PolarHBondContact NH2-OE1 2.95Å; R44-E48 WeakPolarHBondContact O-CB 3.25Å; R44-E48 WeakPolarHBondContact O-CG 3.29Å; R44-E48 PolarHBondContact O-N 3.48Å
45	R	57	Low	50.5	Low	154 Å²	154	114.9 Å²	114.9	58%	0.581	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-42.9	178.3	-163.2	177.8	-165.8	167.6	4.6	111.7	E41 D42 A47 E48 E49	E41-R45 VanDerWaalsContact O-CB 3.23Å; E41-R45 WeakPolarHBondContact O-CB 3.35Å; E41-R45 PolarHBondContact O-N 3.43Å; D42-R45 PolarHBondContact O-N 2.87Å; R45-A47 VanDerWaalsContact C-N 3.35Å; R45-A47 PolarHBondContact O-N 2.78Å; R45-E48 CarbonylContact O-C 3.56Å; R45-E48 PolarHBondContact O-N 2.73Å; R45-E49 WeakPolarHBondContact O-CB 3.46Å; R45-E49 VanDerWaalsContact O-CG 3.28Å; R45-E49 WeakPolarHBondContact O-CG 3.33Å; R45-E49 PolarHBondContact O-N 3.13Å
46	R	52	Low	51	Low	190 Å²	190	113.7 Å²	113.7	72%	0.717	51%	0.514	S	S	*	.	H	α-helix	trans	-62.8	-36.7	170.8	-83.3	-175.3	173.6	176.4	-0.7	113.5	D42 L50	D42-R46 WeakPolarHBondContact O-CB 3.44Å; D42-R46 PolarHBondContact O-N 3.43Å; R46-L50 WeakPolarHBondContact O-CB 3.44Å; R46-L50 PolarHBondContact O-N 3.47Å
47	A	49.4	Very low	51.1	Low	30 Å²	30	115.5 Å²	115.5	25%	0.248	51%	0.514	C	S	.	.	H	α-helix	trans	-69	-41.8	174.5	0	0	0	0	0	111.4	R43 R44 R45 L50 I51	R43-A47 PolarHBondContact O-N 3.39Å; R44-A47 WeakPolarHBondContact O-CB 3.34Å; R44-A47 PolarHBondContact O-N 3.02Å; R45-A47 VanDerWaalsContact C-N 3.35Å; R45-A47 PolarHBondContact O-N 2.78Å; A47-L50 PolarHBondContact O-N 3.07Å; A47-I51 WeakPolarHBondContact O-CB 3.47Å; A47-I51 WeakPolarHBondContact O-CD1 3.49Å; A47-I51 WeakPolarHBondContact O-CG1 3.41Å; A47-I51 PolarHBondContact O-N 3.09Å
48	E	53.7	Low	51.2	Low	83 Å²	83	112.3 Å²	112.3	39%	0.388	50%	0.504	S	S	.	.	H	α-helix	trans	-61.4	-42.5	172.4	-73.1	170.3	175.6	0	0	111	R44 R45 I51 Q52	R44-E48 HydrophobicContact CG-CG 4.47Å; R44-E48 IonicContact CZ-OE1 3.98Å; R44-E48 VanDerWaalsContact CZ-OE1 3.24Å; R44-E48 IonicContact NE-OE1 3.69Å; R44-E48 PolarHBondContact NE-OE1 2.94Å; R44-E48 IonicContact NH2-OE1 3.11Å; R44-E48 PolarHBondContact NH2-OE1 2.95Å; R44-E48 WeakPolarHBondContact O-CB 3.25Å; R44-E48 WeakPolarHBondContact O-CG 3.29Å; R44-E48 PolarHBondContact O-N 3.48Å; R45-E48 CarbonylContact O-C 3.56Å; R45-E48 PolarHBondContact O-N 2.73Å; E48-I51 PolarHBondContact O-N 3.2Å; E48-Q52 WeakPolarHBondContact O-CB 3.31Å; E48-Q52 PolarHBondContact O-N 3.07Å
49	E	56.3	Low	51	Low	104 Å²	104	111.9 Å²	111.9	49%	0.486	50%	0.502	S	S	.	.	H	α-helix	trans	-61.8	-44.7	173.6	-76.8	167.2	173.8	0	0	112.5	R45 I51 Q52 E53	R45-E49 WeakPolarHBondContact O-CB 3.46Å; R45-E49 VanDerWaalsContact O-CG 3.28Å; R45-E49 WeakPolarHBondContact O-CG 3.33Å; R45-E49 PolarHBondContact O-N 3.13Å; E49-I51 VanDerWaalsContact C-N 3.32Å; E49-I51 PolarHBondContact O-N 3.41Å; E49-Q52 CarbonylContact O-C 3.58Å; E49-Q52 WeakPolarHBondContact O-CA 3.49Å; E49-Q52 VanDerWaalsContact O-CB 3.29Å; E49-Q52 WeakPolarHBondContact O-CB 3.43Å; E49-Q52 PolarHBondContact O-N 3.03Å; E49-Q52 VanDerWaalsContact O-N 3.13Å; E49-E53 PolarHBondContact O-N 3.09Å
50	L	51.9	Low	50.9	Low	90 Å²	90	109.3 Å²	109.3	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-70	-30.7	178.9	-140.4	121.6	0	0	0	112.3	R46 A47 L54	R46-L50 WeakPolarHBondContact O-CB 3.44Å; R46-L50 PolarHBondContact O-N 3.47Å; A47-L50 PolarHBondContact O-N 3.07Å; L50-L54 WeakPolarHBondContact O-CB 3.5Å; L50-L54 WeakPolarHBondContact O-CG 3.21Å; L50-L54 PolarHBondContact O-N 3.06Å
51	I	52.3	Low	50.6	Low	32 Å²	32	108.3 Å²	108.3	16%	0.164	49%	0.493	C	S	.	.	H	α-helix	trans	-68.4	-41	169.1	-70.4	164.1	0	0	0	110.1	A47 E48 E49 L54 M55	A47-I51 WeakPolarHBondContact O-CB 3.47Å; A47-I51 WeakPolarHBondContact O-CD1 3.49Å; A47-I51 WeakPolarHBondContact O-CG1 3.41Å; A47-I51 PolarHBondContact O-N 3.09Å; E48-I51 PolarHBondContact O-N 3.2Å; E49-I51 VanDerWaalsContact C-N 3.32Å; E49-I51 PolarHBondContact O-N 3.41Å; I51-L54 PolarHBondContact O-N 3.43Å; I51-M55 HydrophobicContact CG2-CE 4.14Å; I51-M55 WeakPolarHBondContact O-CG 3.44Å; I51-M55 PolarHBondContact O-N 2.95Å
52	Q	54.6	Low	50.1	Low	129 Å²	129	107.7 Å²	107.7	60%	0.603	49%	0.488	S	S	*	.	H	α-helix	trans	-63.2	-40.7	174	-148	87.4	19.4	0	0	111.4	E48 E49 M55 T56	E48-Q52 WeakPolarHBondContact O-CB 3.31Å; E48-Q52 PolarHBondContact O-N 3.07Å; E49-Q52 CarbonylContact O-C 3.58Å; E49-Q52 WeakPolarHBondContact O-CA 3.49Å; E49-Q52 VanDerWaalsContact O-CB 3.29Å; E49-Q52 WeakPolarHBondContact O-CB 3.43Å; E49-Q52 PolarHBondContact O-N 3.03Å; E49-Q52 VanDerWaalsContact O-N 3.13Å; Q52-M55 PolarHBondContact O-N 3.01Å; Q52-T56 WeakPolarHBondContact O-CB 3.31Å; Q52-T56 WeakPolarHBondContact O-CG2 3.42Å; Q52-T56 PolarHBondContact O-N 3.17Å; Q52-T56 PolarHBondContact O-OG1 3.42Å
53	E	57.3	Low	49.2	Very low	128 Å²	128	106 Å²	106	60%	0.598	48%	0.484	S	S	*	.	H	α-helix	trans	-63.4	-43.9	173.3	-77.7	-170.9	148.7	0	0	111.6	E49 M55 T56 Y57	E49-E53 PolarHBondContact O-N 3.09Å; E53-M55 PolarHBondContact O-N 2.93Å; E53-T56 VanDerWaalsContact CA-OG1 3.32Å; E53-T56 WeakPolarHBondContact CA-OG1 3.39Å; E53-T56 PolarHBondContact O-N 3.32Å; E53-T56 PolarHBondContact O-OG1 3.37Å; E53-Y57 VanDerWaalsContact O-CB 3.25Å; E53-Y57 WeakPolarHBondContact O-CB 3.3Å; E53-Y57 PolarHBondContact O-N 3.25Å
54	L	51	Low	48.4	Very low	79 Å²	79	107.4 Å²	107.4	41%	0.414	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-39.9	174.6	-82.4	161.5	0	0	0	112.4	L50 I51 T58	L50-L54 WeakPolarHBondContact O-CB 3.5Å; L50-L54 WeakPolarHBondContact O-CG 3.21Å; L50-L54 PolarHBondContact O-N 3.06Å; I51-L54 PolarHBondContact O-N 3.43Å; L54-T58 PolarHBondContact O-N 2.99Å; L54-T58 VanDerWaalsContact O-N 3.1Å; L54-T58 PolarHBondContact O-OG1 2.96Å
55	M	49.2	Very low	47.6	Very low	102 Å²	102	107.9 Å²	107.9	50%	0.502	50%	0.501	S	S	.	.	H	α-helix	trans	-67.7	-45.9	174.8	-70.5	-159.5	-173.6	0	0	111.4	I51 Q52 E53 Y57 T58 E59	I51-M55 HydrophobicContact CG2-CE 4.14Å; I51-M55 WeakPolarHBondContact O-CG 3.44Å; I51-M55 PolarHBondContact O-N 2.95Å; Q52-M55 PolarHBondContact O-N 3.01Å; E53-M55 PolarHBondContact O-N 2.93Å; M55-Y57 VanDerWaalsContact C-N 3.33Å; M55-Y57 PolarHBondContact O-N 2.92Å; M55-T58 CarbonylContact O-C 3.57Å; M55-T58 WeakPolarHBondContact O-CA 3.48Å; M55-T58 VanDerWaalsContact O-CB 3.31Å; M55-T58 WeakPolarHBondContact O-CB 3.48Å; M55-T58 PolarHBondContact O-N 2.84Å; M55-E59 WeakPolarHBondContact O-CG 3.39Å; M55-E59 PolarHBondContact O-N 2.74Å
56	T	52.7	Low	46.3	Very low	52 Å²	52	105.1 Å²	105.1	32%	0.319	51%	0.505	S	S	.	.	H	α-helix	trans	-67.5	-28.6	176.3	49	0	0	0	0	113.1	Q52 E53 T58 E59 Q60	Q52-T56 WeakPolarHBondContact O-CB 3.31Å; Q52-T56 WeakPolarHBondContact O-CG2 3.42Å; Q52-T56 PolarHBondContact O-N 3.17Å; Q52-T56 PolarHBondContact O-OG1 3.42Å; E53-T56 VanDerWaalsContact CA-OG1 3.32Å; E53-T56 WeakPolarHBondContact CA-OG1 3.39Å; E53-T56 PolarHBondContact O-N 3.32Å; E53-T56 PolarHBondContact O-OG1 3.37Å; T56-T58 VanDerWaalsContact C-N 3.3Å; T56-E59 PolarHBondContact O-N 3.23Å; T56-Q60 VanDerWaalsContact O-CB 3.28Å; T56-Q60 WeakPolarHBondContact O-CB 3.42Å; T56-Q60 WeakPolarHBondContact O-CG 3.38Å; T56-Q60 PolarHBondContact O-N 3.12Å
57	Y	46.2	Very low	45.1	Very low	153 Å²	153	99.3 Å²	99.3	60%	0.6	49%	0.493	S	S	*	.	H	α-helix	trans	-68	-33.2	169.8	-167.1	-102.7	0	0	0	111.6	E53 M55 K61	E53-Y57 VanDerWaalsContact O-CB 3.25Å; E53-Y57 WeakPolarHBondContact O-CB 3.3Å; E53-Y57 PolarHBondContact O-N 3.25Å; M55-Y57 VanDerWaalsContact C-N 3.33Å; M55-Y57 PolarHBondContact O-N 2.92Å; Y57-K61 PolarHBondContact O-N 3.12Å
58	T	44.8	Very low	44.2	Very low	52 Å²	52	105.3 Å²	105.3	32%	0.319	52%	0.521	S	S	.	.	H	α-helix	trans	-72	-39.1	173.4	-49	0	0	0	0	111.2	L54 M55 T56 K61 K62	L54-T58 PolarHBondContact O-N 2.99Å; L54-T58 VanDerWaalsContact O-N 3.1Å; L54-T58 PolarHBondContact O-OG1 2.96Å; M55-T58 CarbonylContact O-C 3.57Å; M55-T58 WeakPolarHBondContact O-CA 3.48Å; M55-T58 VanDerWaalsContact O-CB 3.31Å; M55-T58 WeakPolarHBondContact O-CB 3.48Å; M55-T58 PolarHBondContact O-N 2.84Å; T56-T58 VanDerWaalsContact C-N 3.3Å; T58-K61 CarbonylContact O-C 3.52Å; T58-K61 WeakPolarHBondContact O-CB 3.47Å; T58-K61 PolarHBondContact O-N 3.47Å; T58-K62 PolarHBondContact O-N 3.17Å
59	E	41.8	Very low	43.1	Very low	122 Å²	122	106.7 Å²	106.7	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-71.3	-34.9	173.3	-68.8	-178.9	150.2	0	0	113.2	M55 T56 K61 K62 S63	M55-E59 WeakPolarHBondContact O-CG 3.39Å; M55-E59 PolarHBondContact O-N 2.74Å; T56-E59 PolarHBondContact O-N 3.23Å; E59-K61 VanDerWaalsContact C-N 3.26Å; E59-K61 PolarHBondContact O-N 3.12Å; E59-K62 CarbonylContact O-C 3.46Å; E59-K62 WeakPolarHBondContact O-CA 3.49Å; E59-K62 WeakPolarHBondContact O-CB 3.33Å; E59-K62 PolarHBondContact O-N 3.39Å; E59-S63 PolarHBondContact O-N 3Å
60	Q	42.7	Very low	42.1	Very low	113 Å²	113	106.8 Å²	106.8	53%	0.528	54%	0.543	S	S	.	.	H	α-helix	trans	-66.1	-31	170.2	-76.4	174.3	20.1	0	0	111.2	T56 S63 K64	T56-Q60 VanDerWaalsContact O-CB 3.28Å; T56-Q60 WeakPolarHBondContact O-CB 3.42Å; T56-Q60 WeakPolarHBondContact O-CG 3.38Å; T56-Q60 PolarHBondContact O-N 3.12Å; Q60-S63 PolarHBondContact O-OG 3.33Å; Q60-K64 WeakPolarHBondContact O-CB 3.42Å; Q60-K64 WeakPolarHBondContact O-CG 3.27Å; Q60-K64 PolarHBondContact O-N 2.94Å
61	K	41.2	Very low	41.2	Very low	141 Å²	141	110.5 Å²	110.5	61%	0.613	56%	0.558	S	S	*	*	H	α-helix	trans	-69.5	-29.2	166.1	-104.8	-172.5	174.8	-175	0	113.1	Y57 T58 E59 K65	Y57-K61 PolarHBondContact O-N 3.12Å; T58-K61 CarbonylContact O-C 3.52Å; T58-K61 WeakPolarHBondContact O-CB 3.47Å; T58-K61 PolarHBondContact O-N 3.47Å; E59-K61 VanDerWaalsContact C-N 3.26Å; E59-K61 PolarHBondContact O-N 3.12Å; K61-K65 WeakPolarHBondContact O-CB 3.46Å; K61-K65 WeakPolarHBondContact O-CG 3.49Å; K61-K65 PolarHBondContact O-N 3.41Å
62	K	40.1	Very low	40.2	Very low	111 Å²	111	115.6 Å²	115.6	48%	0.483	58%	0.581	S	S	.	*	H	α-helix	trans	-70	-46	170.3	-72	-171.6	169.6	-166.8	0	111.4	T58 E59 K65 D633	T58-K62 PolarHBondContact O-N 3.17Å; E59-K62 CarbonylContact O-C 3.46Å; E59-K62 WeakPolarHBondContact O-CA 3.49Å; E59-K62 WeakPolarHBondContact O-CB 3.33Å; E59-K62 PolarHBondContact O-N 3.39Å; K62-K65 WeakPolarHBondContact O-CA 3.31Å; K62-K65 WeakPolarHBondContact O-CB 3.17Å; K62-K65 PolarHBondContact O-N 2.8Å; K62-D633 VanDerWaalsContact CE-OD1 3.25Å; K62-D633 WeakPolarHBondContact CE-OD1 3.49Å; K62-D633 IonicContact NZ-OD1 3.73Å; K62-D633 PolarHBondContact NZ-OD1 3.18Å; K62-D633 IonicContact NZ-OD2 3.97Å
63	S	34	Very low	39.2	Very low	64 Å²	64	112.4 Å²	112.4	45%	0.448	58%	0.577	S	S	.	*	H	α-helix	trans	-68.3	-35.6	178.4	68.9	0	0	0	0	113.1	E59 Q60 K65 S66	E59-S63 PolarHBondContact O-N 3Å; Q60-S63 PolarHBondContact O-OG 3.33Å; S63-K65 PolarHBondContact O-N 3.3Å; S63-S66 PolarHBondContact O-N 2.84Å; S63-S66 VanDerWaalsContact O-N 3.1Å; S63-S66 PolarHBondContact O-OG 3.49Å
64	K	35.9	Very low	38.1	Very low	172 Å²	172	111 Å²	111	75%	0.748	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-7.4	169.4	-76.4	-175	172.6	-179.9	0	114.6	Q60	Q60-K64 WeakPolarHBondContact O-CB 3.42Å; Q60-K64 WeakPolarHBondContact O-CG 3.27Å; Q60-K64 PolarHBondContact O-N 2.94Å
65	K	36	Very low	37.4	Very low	165 Å²	165	109.5 Å²	109.5	72%	0.717	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	7.4	168	-87.4	-168.5	170.6	-168.2	0	112.8	K61 K62 S63	K61-K65 WeakPolarHBondContact O-CB 3.46Å; K61-K65 WeakPolarHBondContact O-CG 3.49Å; K61-K65 PolarHBondContact O-N 3.41Å; K62-K65 WeakPolarHBondContact O-CA 3.31Å; K62-K65 WeakPolarHBondContact O-CB 3.17Å; K62-K65 PolarHBondContact O-N 2.8Å; S63-K65 PolarHBondContact O-N 3.3Å
66	S	29.5	Very low	36.7	Very low	96 Å²	96	109 Å²	109	67%	0.671	58%	0.575	S	S	*	*	S	Bend	trans	-135.8	27.6	-178.8	68.7	0	0	0	0	114.3	S63	S63-S66 PolarHBondContact O-N 2.84Å; S63-S66 VanDerWaalsContact O-N 3.1Å; S63-S66 PolarHBondContact O-OG 3.49Å
67	S	26.4	Very low	36.1	Very low	67 Å²	67	110.9 Å²	110.9	47%	0.469	59%	0.586	S	S	.	*	S	Bend	trans	-156.7	114.4	170.2	62	0	0	0	0	112.9	V69	S67-V69 PolarHBondContact O-N 3.29Å
68	D	30.2	Very low	35.5	Very low	156 Å²	156	107.3 Å²	107.3	83%	0.834	59%	0.589	S	S	*	*	S	Bend	trans	60.7	35.1	142.8	-51.4	-10.1	0	0	0	121
69	V	31.8	Very low	34.9	Very low	113 Å²	113	112.5 Å²	112.5	69%	0.685	61%	0.609	S	S	*	*	S	Bend	trans	-140.7	-15.3	166.2	-163.9	0	0	0	0	115.4	S67	S67-V69 PolarHBondContact O-N 3.29Å
70	T	34.2	Very low	34.5	Very low	105 Å²	105	113.8 Å²	113.8	64%	0.644	62%	0.615	S	S	*	*	S	Bend	trans	-121.1	3.4	-165.8	52.1	0	0	0	0	117.4
71	E	32.4	Very low	34.2	Very low	168 Å²	168	115.9 Å²	115.9	79%	0.785	63%	0.63	S	S	*	*	S	Bend	trans	-101.1	-44.7	168.4	-72.3	-171.9	147	0	0	111.8	A73 V74 A75	E71-A73 PolarHBondContact O-N 2.89Å; E71-V74 PolarHBondContact O-N 2.91Å; E71-A75 WeakPolarHBondContact O-CB 3.43Å; E71-A75 PolarHBondContact O-N 3.37Å
72	E	31.7	Very low	34	Very low	139 Å²	139	114.1 Å²	114.1	65%	0.65	64%	0.635	S	S	*	*	H	α-helix	trans	-56.7	-49	174.5	-70.3	-179.8	149.6	0	0	111.8	V74 A75 D76	E72-V74 PolarHBondContact O-N 2.8Å; E72-A75 PolarHBondContact O-N 2.92Å; E72-D76 VanDerWaalsContact O-CB 3.31Å; E72-D76 WeakPolarHBondContact O-CB 3.39Å; E72-D76 PolarHBondContact O-N 2.93Å
73	A	33.2	Very low	33.7	Very low	62 Å²	62	116 Å²	116	51%	0.512	65%	0.645	S	S	.	*	H	α-helix	trans	-66.7	-1.2	-179.3	0	0	0	0	0	116.1	E71 V77	E71-A73 PolarHBondContact O-N 2.89Å; A73-V77 VanDerWaalsContact O-CG2 3.25Å; A73-V77 WeakPolarHBondContact O-CG2 3.49Å
74	V	35.1	Very low	34	Very low	98 Å²	98	117.6 Å²	117.6	59%	0.594	65%	0.654	S	S	*	*	H	α-helix	trans	-120.8	-28.6	174.3	-173.3	0	0	0	0	111.5	E71 E72 A78	E71-V74 PolarHBondContact O-N 2.91Å; E72-V74 PolarHBondContact O-N 2.8Å; V74-A78 WeakPolarHBondContact O-CB 3.37Å; V74-A78 PolarHBondContact O-N 3Å
75	A	35.9	Very low	34.7	Very low	49 Å²	49	113.2 Å²	113.2	41%	0.405	64%	0.643	S	S	.	*	H	α-helix	trans	-73.4	-48.8	170.2	0	0	0	0	0	111.7	E71 E72 V77 A78 E79	E71-A75 WeakPolarHBondContact O-CB 3.43Å; E71-A75 PolarHBondContact O-N 3.37Å; E72-A75 PolarHBondContact O-N 2.92Å; A75-V77 VanDerWaalsContact C-N 3.26Å; A75-V77 PolarHBondContact O-N 3.45Å; A75-A78 CarbonylContact O-C 3.49Å; A75-A78 WeakPolarHBondContact O-CA 3.32Å; A75-A78 PolarHBondContact O-N 2.57Å; A75-E79 PolarHBondContact O-N 3.06Å
76	D	35.2	Very low	35.6	Very low	91 Å²	91	108.6 Å²	108.6	49%	0.487	63%	0.632	S	S	.	*	H	α-helix	trans	-62.6	-34.5	178	-67.5	-29.6	0	0	0	111.4	E72 A78 E79 E80	E72-D76 VanDerWaalsContact O-CB 3.31Å; E72-D76 WeakPolarHBondContact O-CB 3.39Å; E72-D76 PolarHBondContact O-N 2.93Å; D76-A78 PolarHBondContact O-N 3.22Å; D76-E79 PolarHBondContact O-N 2.75Å; D76-E80 WeakPolarHBondContact O-CB 3.41Å; D76-E80 PolarHBondContact O-N 3.45Å
77	V	39	Very low	37.4	Very low	91 Å²	91	110.5 Å²	110.5	55%	0.552	62%	0.624	S	S	*	*	H	α-helix	trans	-74.2	-10.5	175.7	-179.4	0	0	0	0	112.6	A73 A75	A73-V77 VanDerWaalsContact O-CG2 3.25Å; A73-V77 WeakPolarHBondContact O-CG2 3.49Å; A75-V77 VanDerWaalsContact C-N 3.26Å; A75-V77 PolarHBondContact O-N 3.45Å
78	A	34.4	Very low	39.7	Very low	79 Å²	79	107.8 Å²	107.8	65%	0.653	61%	0.605	S	S	*	*	H	α-helix	trans	-105.7	-21.4	174.1	0	0	0	0	0	113.8	V74 A75 D76	V74-A78 WeakPolarHBondContact O-CB 3.37Å; V74-A78 PolarHBondContact O-N 3Å; A75-A78 CarbonylContact O-C 3.49Å; A75-A78 WeakPolarHBondContact O-CA 3.32Å; A75-A78 PolarHBondContact O-N 2.57Å; D76-A78 PolarHBondContact O-N 3.22Å
79	E	33.1	Very low	42.3	Very low	161 Å²	161	104.3 Å²	104.3	75%	0.752	59%	0.59	S	S	*	*	H	α-helix	trans	-111.4	-18.1	-177.8	-65.2	-162.4	153.6	0	0	114.8	A75 D76	A75-E79 PolarHBondContact O-N 3.06Å; D76-E79 PolarHBondContact O-N 2.75Å
80	E	33.5	Very low	44.8	Very low	149 Å²	149	101.3 Å²	101.3	70%	0.696	57%	0.572	S	S	*	*	S	Bend	trans	-65.7	138.8	157.9	-75.6	-158	139.8	0	0	109.6	D76 C82	D76-E80 WeakPolarHBondContact O-CB 3.41Å; D76-E80 PolarHBondContact O-N 3.45Å; E80-C82 PolarHBondContact O-N 3.42Å
81	N	35.2	Very low	47.5	Very low	156 Å²	156	98.6 Å²	98.6	83%	0.834	55%	0.553	S	S	*	*			trans	-71.5	59.1	-174.7	-68.5	-70.5	0	0	0	113.5	E83	N81-E83 PolarHBondContact O-N 3.49Å
82	C	36.1	Very low	50.2	Low	105 Å²	105	96.4 Å²	96.4	71%	0.709	55%	0.547	S	S	*	.			trans	-70.5	64.9	153.1	-81.6	0	0	0	0	109.5	E80	E80-C82 PolarHBondContact O-N 3.42Å
83	E	34.9	Very low	52.8	Low	149 Å²	149	91.6 Å²	91.6	70%	0.696	53%	0.525	S	S	*	.			trans	-50.3	129.4	153.5	-73.3	-165.3	146.1	0	0	106.8	N81 P85	N81-E83 PolarHBondContact O-N 3.49Å; E83-P85 VanDerWaalsContact O-N 3.13Å
84	P	40.5	Very low	55.1	Low	98 Å²	98	98.1 Å²	98.1	64%	0.636	55%	0.545	S	S	*	.			trans	-55.2	127.2	178.6	23.5	-32.9	0	0	0	107.3	S86	P84-S86 WeakPolarHBondContact O-CA 3.31Å; P84-S86 PolarHBondContact O-N 3.2Å
85	P	50.7	Low	57.3	Low	81 Å²	81	95.1 Å²	95.1	53%	0.526	53%	0.527	S	S	.	.			trans	-48.6	113.8	-163.1	17.6	-32.6	0	0	0	108.7	E83 R87	E83-P85 VanDerWaalsContact O-N 3.13Å; P85-R87 WeakPolarHBondContact O-CA 3.32Å; P85-R87 PolarHBondContact O-N 2.98Å
86	S	55.4	Low	59.3	Low	68 Å²	68	98.3 Å²	98.3	48%	0.476	54%	0.544	S	S	.	.			trans	-46.6	110.5	-156.6	55.3	0	0	0	0	109.2	P84 A88 P108 L288	P84-S86 WeakPolarHBondContact O-CA 3.31Å; P84-S86 PolarHBondContact O-N 3.2Å; S86-A88 PolarHBondContact O-N 3.31Å; S86-P108 WeakPolarHBondContact O-CG 3.32Å; S86-P108 WeakPolarHBondContact OG-CB 3.4Å; S86-P108 VanDerWaalsContact OG-CG 3.24Å; S86-P108 WeakPolarHBondContact OG-CG 3.37Å; S86-L288 WeakPolarHBondContact O-CD2 3.15Å
87	R	65.8	Low	61.5	Low	136 Å²	136	95.8 Å²	95.8	51%	0.513	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-75.3	132	-162.3	-106.3	-175.7	157.2	152.8	1.9	110.5	P85	P85-R87 WeakPolarHBondContact O-CA 3.32Å; P85-R87 PolarHBondContact O-N 2.98Å
88	A	75.7	Confident	63.3	Low	9 Å²	9	96.3 Å²	96.3	7%	0.074	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-61.4	140.2	166.2	0	0	0	0	0	109.2	S86 T105 V106 L288	S86-A88 PolarHBondContact O-N 3.31Å; A88-T105 HydrophobicContact CB-CG2 3.47Å; A88-T105 VanDerWaalsContact CB-CG2 3.47Å; A88-V106 CarbonylContact C-O 3.52Å; A88-V106 VanDerWaalsContact CA-O 3.24Å; A88-V106 WeakPolarHBondContact CA-O 3.42Å; A88-V106 WeakPolarHBondContact CB-O 3.35Å; A88-L288 HydrophobicContact CB-CD2 4.17Å; A88-L288 HydrophobicContact CB-CG 4.11Å
89	T	83.5	Confident	65.5	Low	83 Å²	83	94.5 Å²	94.5	51%	0.509	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.1	-177.8	-59.9	0	0	0	0	109.4	I91 V106	T89-I91 HydrophobicContact CG2-CG1 4.07Å; T89-V106 PolarHBondContact N-O 3.02Å; T89-V106 PolarHBondContact O-N 3.23Å
90	V	86.2	Confident	68.2	Low	51 Å²	51	87 Å²	87	31%	0.309	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.3	175.7	-175.3	0	0	0	0	109.6	E103 V104 T105 E284	V90-E103 HydrophobicContact CG1-CB 4.39Å; V90-V104 WeakPolarHBondContact CA-O 3.43Å; V90-T105 HydrophobicContact CG2-CG2 4.2Å; V90-E284 HydrophobicContact CG2-CG 3.84Å
91	I	89.1	Confident	71	Confident	48 Å²	48	85.2 Å²	85.2	25%	0.246	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.8	-177.8	-57	173.3	0	0	0	108.9	T89 L93 E103 V104 V106 Y112	T89-I91 HydrophobicContact CG2-CG1 4.07Å; I91-L93 HydrophobicContact CG2-CD2 4.1Å; I91-E103 CarbonylContact O-C 3.48Å; I91-E103 WeakPolarHBondContact O-CA 3.34Å; I91-V104 HydrophobicContact CB-CG1 3.84Å; I91-V104 HydrophobicContact CG2-CG1 4.47Å; I91-V104 PolarHBondContact N-O 3.37Å; I91-V104 PolarHBondContact O-N 3.21Å; I91-V106 HydrophobicContact CD1-CG2 4.15Å; I91-Y112 VanDerWaalsContact CD1-CB 3.44Å; I91-Y112 HydrophobicContact CD1-CD1 3.86Å; I91-Y112 HydrophobicContact CD1-CD2 4.34Å; I91-Y112 HydrophobicContact CD1-CG 3.6Å
92	N	89.4	Confident	73.9	Confident	122 Å²	122	77.9 Å²	77.9	65%	0.652	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	127	173.7	-69.8	-75.2	0	0	0	110.2
93	L	86.5	Confident	76.7	Confident	38 Å²	38	74.3 Å²	74.3	20%	0.199	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.8	177.6	-56.5	-179.6	0	0	0	110.1	I91 T95 H102 V104 Y112	I91-L93 HydrophobicContact CG2-CD2 4.1Å; L93-T95 PolarHBondContact O-N 3.09Å; L93-H102 HydrophobicContact CB-CB 4.19Å; L93-H102 PolarHBondContact N-O 3.31Å; L93-V104 HydrophobicContact CD1-CB 4.35Å; L93-V104 HydrophobicContact CD1-CG1 4Å; L93-V104 HydrophobicContact CD2-CG1 4.26Å; L93-V104 HydrophobicContact CG-CG1 4.14Å; L93-Y112 WeakPolarHBondContact CD1-OH 3.43Å; L93-Y112 HydrophobicContact CD2-CE1 3.81Å; L93-Y112 WeakPolarHBondContact CD2-OH 3.43Å
94	Q	82	Confident	79.6	Confident	198 Å²	198	67.2 Å²	67.2	93%	0.925	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-75.4	125.7	177.3	-69.2	-173.4	-4.2	0	0	110.4
95	T	81.5	Confident	82.1	Confident	35 Å²	35	62.5 Å²	62.5	22%	0.215	35%	0.352	C	S	.	.			trans	-104.1	155.8	176.4	54.1	0	0	0	0	111	L93 D97 C100 H102	L93-T95 PolarHBondContact O-N 3.09Å; T95-D97 PolarHBondContact O-N 3.09Å; T95-D97 PolarHBondContact OG1-O 3.12Å; T95-C100 WeakPolarHBondContact CB-O 3.19Å; T95-C100 WeakPolarHBondContact CG2-O 3.24Å; T95-C100 PolarHBondContact OG1-O 3.47Å; T95-H102 HydrophobicContact CG2-CB 3.48Å; T95-H102 VanDerWaalsContact CG2-CB 3.48Å
96	P	78.5	Confident	84.1	Confident	116 Å²	116	58.8 Å²	58.8	75%	0.753	33%	0.328	S	S	*	.	S	Bend	trans	-69	-15.9	175	-20.9	32.6	0	0	0	115.2	T132	P96-T132 HydrophobicContact CB-CG2 4.4Å; P96-T132 HydrophobicContact CG-CG2 4.25Å
97	D	80	Confident	85.8	Confident	38 Å²	38	55.9 Å²	55.9	20%	0.203	31%	0.307	C	S	.	.	S	Bend	trans	-128.3	116.8	-174.4	-174.9	-25.3	0	0	0	108.9	T95 S99 C100 T132 R301	T95-D97 PolarHBondContact O-N 3.09Å; T95-D97 PolarHBondContact OG1-O 3.12Å; D97-S99 PolarHBondContact O-N 3.17Å; D97-S99 WeakPolarHBondContact OD1-CB 3.32Å; D97-S99 PolarHBondContact OD1-N 3.03Å; D97-S99 PolarHBondContact OD1-OG 3.28Å; D97-S99 PolarHBondContact OD2-OG 3.44Å; D97-C100 PolarHBondContact O-N 2.78Å; D97-T132 HydrophobicContact CB-CG2 3.99Å; D97-R301 IonicContact OD2-NH1 2.85Å; D97-R301 PolarHBondContact OD2-NH1 3.12Å
98	A	77.7	Confident	86.7	Confident	103 Å²	103	51 Å²	51	85%	0.851	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.4	-179	0	0	0	0	0	114.1	C100	A98-C100 VanDerWaalsContact C-N 3.31Å
99	S	81.3	Confident	87	Confident	40 Å²	40	59.6 Å²	59.6	28%	0.28	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.6	173	70.5	0	0	0	0	114.2	D97 T299	D97-S99 PolarHBondContact O-N 3.17Å; D97-S99 WeakPolarHBondContact OD1-CB 3.32Å; D97-S99 PolarHBondContact OD1-N 3.03Å; D97-S99 PolarHBondContact OD1-OG 3.28Å; D97-S99 PolarHBondContact OD2-OG 3.44Å; S99-T299 WeakPolarHBondContact O-CA 3.44Å; S99-T299 VanDerWaalsContact O-CB 3.31Å; S99-T299 WeakPolarHBondContact O-CB 3.39Å; S99-T299 PolarHBondContact O-OG1 3.26Å
100	C	89.1	Confident	87.1	Confident	3 Å²	3	59 Å²	59	2%	0.02	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.6	175.3	-177.9	0	0	0	0	109.1	T95 D97 A98 T132 S298	T95-C100 WeakPolarHBondContact CB-O 3.19Å; T95-C100 WeakPolarHBondContact CG2-O 3.24Å; T95-C100 PolarHBondContact OG1-O 3.47Å; D97-C100 PolarHBondContact O-N 2.78Å; A98-C100 VanDerWaalsContact C-N 3.31Å; C100-T132 HydrophobicContact CB-CG2 4.5Å; C100-S298 WeakPolarHBondContact CA-O 3.49Å
101	K	92.8	Very high	87	Confident	112 Å²	112	62 Å²	62	49%	0.487	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.7	172.6	-56.6	168.6	-174.3	162.3	0	108.6	I297 S298	K101-I297 WeakPolarHBondContact O-CA 3.49Å; K101-S298 PolarHBondContact N-O 3.35Å; K101-S298 PolarHBondContact O-N 3.31Å
102	H	94.9	Very high	86.9	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.009	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.6	174.5	-172.3	173.8	0	0	0	108	L93 T95 E136 H295 V296 I297	L93-H102 HydrophobicContact CB-CB 4.19Å; L93-H102 PolarHBondContact N-O 3.31Å; T95-H102 HydrophobicContact CG2-CB 3.48Å; T95-H102 VanDerWaalsContact CG2-CB 3.48Å; H102-E136 IonicContact CE1-OE2 2.78Å; H102-E136 PolarHBondContact CE1-OE2 3.18Å; H102-E136 IonicContact CG-OE2 3.02Å; H102-E136 IonicContact ND1-OE2 2.73Å; H102-E136 PolarHBondContact ND1-OE2 2.98Å; H102-H295 AromaticContact CD2-ND1 3.92Å; H102-H295 AromaticContact CE1-ND1 3.79Å; H102-H295 AromaticContact NE2-CE1 3.94Å; H102-H295 AromaticContact NE2-CG 3.74Å; H102-H295 AromaticContact NE2-ND1 2.91Å; H102-H295 PolarHBondContact NE2-ND1 2.84Å; H102-V296 WeakPolarHBondContact CA-O 3.18Å; H102-I297 HydrophobicContact CB-CG1 4.48Å
103	E	94.8	Very high	86.7	Confident	30 Å²	30	62.1 Å²	62.1	14%	0.14	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.7	175.2	-50.4	179.9	-169.3	0	0	108.1	V90 I91 S280 H295 V296	V90-E103 HydrophobicContact CG1-CB 4.39Å; I91-E103 CarbonylContact O-C 3.48Å; I91-E103 WeakPolarHBondContact O-CA 3.34Å; E103-S280 VanDerWaalsContact OE2-CB 3.32Å; E103-S280 WeakPolarHBondContact OE2-CB 3.27Å; E103-S280 PolarHBondContact OE2-OG 2.88Å; E103-H295 CarbonylContact O-C 3.58Å; E103-H295 WeakPolarHBondContact O-CA 3.48Å; E103-V296 HydrophobicContact CB-CB 4.35Å; E103-V296 PolarHBondContact N-O 2.77Å; E103-V296 PolarHBondContact O-N 2.98Å
104	V	95.3	Very high	86.8	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.8	172.2	59.2	0	0	0	0	109.5	V90 I91 L93 V106 Y112 K293 H295	V90-V104 WeakPolarHBondContact CA-O 3.43Å; I91-V104 HydrophobicContact CB-CG1 3.84Å; I91-V104 HydrophobicContact CG2-CG1 4.47Å; I91-V104 PolarHBondContact N-O 3.37Å; I91-V104 PolarHBondContact O-N 3.21Å; L93-V104 HydrophobicContact CD1-CB 4.35Å; L93-V104 HydrophobicContact CD1-CG1 4Å; L93-V104 HydrophobicContact CD2-CG1 4.26Å; L93-V104 HydrophobicContact CG-CG1 4.14Å; V104-V106 HydrophobicContact CG1-CG2 4.49Å; V104-V106 HydrophobicContact CG2-CG2 4.16Å; V104-Y112 HydrophobicContact CB-CE2 4.43Å; V104-Y112 HydrophobicContact CG1-CD2 3.97Å; V104-Y112 HydrophobicContact CG1-CE2 3.59Å; V104-Y112 HydrophobicContact CG2-CE2 4.21Å; V104-K293 HydrophobicContact CG2-CB 4.5Å; V104-H295 WeakPolarHBondContact CG2-CE1 3.45Å; V104-H295 WeakPolarHBondContact CG2-NE2 3.45Å
105	T	94	Very high	87.1	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.9	173	-51	0	0	0	0	109.2	A88 V90 E284 S287 K293 C294	A88-T105 HydrophobicContact CB-CG2 3.47Å; A88-T105 VanDerWaalsContact CB-CG2 3.47Å; V90-T105 HydrophobicContact CG2-CG2 4.2Å; T105-E284 HydrophobicContact CG2-CB 4.2Å; T105-E284 HydrophobicContact CG2-CG 3.75Å; T105-S287 PolarHBondContact O-OG 3.26Å; T105-K293 WeakPolarHBondContact O-CA 3.39Å; T105-C294 PolarHBondContact N-O 3.21Å; T105-C294 PolarHBondContact O-N 3.03Å
106	V	92.8	Very high	87.4	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.018	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.8	-174.1	-175.7	0	0	0	0	108.8	A88 T89 I91 V104 T110 Y112 K293	A88-V106 CarbonylContact C-O 3.52Å; A88-V106 VanDerWaalsContact CA-O 3.24Å; A88-V106 WeakPolarHBondContact CA-O 3.42Å; A88-V106 WeakPolarHBondContact CB-O 3.35Å; T89-V106 PolarHBondContact N-O 3.02Å; T89-V106 PolarHBondContact O-N 3.23Å; I91-V106 HydrophobicContact CD1-CG2 4.15Å; V104-V106 HydrophobicContact CG1-CG2 4.49Å; V104-V106 HydrophobicContact CG2-CG2 4.16Å; V106-T110 HydrophobicContact CG1-CG2 4.17Å; V106-T110 VanDerWaalsContact CG1-O 3.27Å; V106-T110 WeakPolarHBondContact CG1-O 3.44Å; V106-Y112 HydrophobicContact CG2-CD2 3.86Å; V106-Y112 HydrophobicContact CG2-CG 4.32Å; V106-K293 HydrophobicContact CG1-CG 4.38Å; V106-K293 HydrophobicContact CG2-CG 4.46Å
107	P	89.9	Confident	87.6	Confident	7 Å²	7	64.8 Å²	64.8	5%	0.045	35%	0.346	C	S	.	.			trans	-67.2	159	-177.7	26.9	-32.7	0	0	0	111	T110 S287	P107-T110 HydrophobicContact CG-CG2 4.37Å; P107-T110 WeakPolarHBondContact O-CB 3.43Å; P107-T110 PolarHBondContact O-N 3.07Å; P107-S287 WeakPolarHBondContact CD-OG 3.33Å
108	P	85.9	Confident	87.5	Confident	34 Å²	34	65.4 Å²	65.4	22%	0.221	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	151.6	177.8	-28	37.7	0	0	0	113	S86 T110 L288	S86-P108 WeakPolarHBondContact O-CG 3.32Å; S86-P108 WeakPolarHBondContact OG-CB 3.4Å; S86-P108 VanDerWaalsContact OG-CG 3.24Å; S86-P108 WeakPolarHBondContact OG-CG 3.37Å; P108-T110 PolarHBondContact O-N 2.97Å; P108-T110 PolarHBondContact O-OG1 3Å; P108-L288 HydrophobicContact CG-CD2 3.81Å
109	L	82.8	Confident	87.3	Confident	189 Å²	189	65.7 Å²	65.7	99%	0.99	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	7.9	178.6	-50	174	0	0	0	114.9
110	T	84.6	Confident	87.2	Confident	69 Å²	69	69.1 Å²	69.1	42%	0.423	37%	0.371	S	S	.	.			trans	-110.4	131	-178.5	-56.4	0	0	0	0	110.8	V106 P107 P108	V106-T110 HydrophobicContact CG1-CG2 4.17Å; V106-T110 VanDerWaalsContact CG1-O 3.27Å; V106-T110 WeakPolarHBondContact CG1-O 3.44Å; P107-T110 HydrophobicContact CG-CG2 4.37Å; P107-T110 WeakPolarHBondContact O-CB 3.43Å; P107-T110 PolarHBondContact O-N 3.07Å; P108-T110 PolarHBondContact O-N 2.97Å; P108-T110 PolarHBondContact O-OG1 3Å
111	T	83.8	Confident	87.1	Confident	114 Å²	114	73.4 Å²	73.4	70%	0.699	40%	0.398	S	S	*	.			trans	-79.2	138.8	177.1	-45.7	0	0	0	0	111.1	K293	T111-K293 PolarHBondContact O-NZ 3.36Å
112	Y	86.6	Confident	86.8	Confident	52 Å²	52	71 Å²	71	20%	0.204	39%	0.394	C	S	.	.			trans	-73.9	133.4	168.9	-176.7	-116.9	0	0	0	110.8	I91 L93 V104 V106 P114	I91-Y112 VanDerWaalsContact CD1-CB 3.44Å; I91-Y112 HydrophobicContact CD1-CD1 3.86Å; I91-Y112 HydrophobicContact CD1-CD2 4.34Å; I91-Y112 HydrophobicContact CD1-CG 3.6Å; L93-Y112 WeakPolarHBondContact CD1-OH 3.43Å; L93-Y112 HydrophobicContact CD2-CE1 3.81Å; L93-Y112 WeakPolarHBondContact CD2-OH 3.43Å; V104-Y112 HydrophobicContact CB-CE2 4.43Å; V104-Y112 HydrophobicContact CG1-CD2 3.97Å; V104-Y112 HydrophobicContact CG1-CE2 3.59Å; V104-Y112 HydrophobicContact CG2-CE2 4.21Å; V106-Y112 HydrophobicContact CG2-CD2 3.86Å; V106-Y112 HydrophobicContact CG2-CG 4.32Å; Y112-P114 HydrophobicContact CE1-CG 4.49Å
113	E	86.3	Confident	86.6	Confident	121 Å²	121	72.1 Å²	72.1	57%	0.565	40%	0.404	S	S	*	.			trans	-122.4	132.2	170.9	-67.9	-175	168.1	0	0	106.9	L115	E113-L115 PolarHBondContact O-N 2.82Å
114	P	87.6	Confident	86.5	Confident	99 Å²	99	72.5 Å²	72.5	64%	0.643	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-56.9	138.3	176.6	-25.2	34.7	0	0	0	112.2	Y112 R116	Y112-P114 HydrophobicContact CE1-CG 4.49Å; P114-R116 PolarHBondContact O-N 2.85Å
115	L	89.1	Confident	86.2	Confident	9 Å²	9	80.2 Å²	80.2	5%	0.047	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-50.8	128.2	173.5	-68.6	170.6	0	0	0	110.9	E113 R139 N143	E113-L115 PolarHBondContact O-N 2.82Å; L115-R139 HydrophobicContact CB-CG 4.07Å; L115-R139 HydrophobicContact CD1-CG 4.22Å; L115-R139 PolarHBondContact O-NE 2.81Å; L115-R139 PolarHBondContact O-NH2 2.97Å; L115-N143 HydrophobicContact CD2-CB 3.61Å
116	R	87.8	Confident	86	Confident	173 Å²	173	81.9 Å²	81.9	65%	0.653	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-73.4	153.3	173.4	-69.7	172.6	-82.8	-167.2	-7.5	109.8	P114 N143	P114-R116 PolarHBondContact O-N 2.85Å; R116-N143 WeakPolarHBondContact CB-OD1 3.46Å; R116-N143 PolarHBondContact N-OD1 3.46Å; R116-N143 PolarHBondContact O-ND2 3.05Å
117	E	82.9	Confident	85.9	Confident	162 Å²	162	87.9 Å²	87.9	76%	0.757	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-84.1	134.8	161.7	-66.3	-170.4	162.3	0	0	107.9	A119	E117-A119 PolarHBondContact O-N 3.28Å
118	S	77.6	Confident	85.8	Confident	52 Å²	52	93 Å²	93	36%	0.364	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-65.1	131.8	177	177.8	0	0	0	0	110.7	D120 E142	S118-D120 PolarHBondContact OG-N 3.04Å; S118-D120 PolarHBondContact OG-O 3.49Å; S118-D120 VanDerWaalsContact OG-O 3.09Å; S118-E142 VanDerWaalsContact CB-OE2 3.3Å; S118-E142 WeakPolarHBondContact CB-OE2 3.32Å
119	A	73.4	Confident	86	Confident	108 Å²	108	100.1 Å²	100.1	89%	0.893	54%	0.535	S	S	*	.			trans	-84.4	-18.1	167.1	0	0	0	0	0	112.2	E117	E117-A119 PolarHBondContact O-N 3.28Å
120	D	80.1	Confident	86.4	Confident	113 Å²	113	92.8 Å²	92.8	60%	0.604	50%	0.496	S	S	*	.	S	Bend	trans	-78.4	149.4	178	-73.9	-34.7	0	0	0	111.3	S118	S118-D120 PolarHBondContact OG-N 3.04Å; S118-D120 PolarHBondContact OG-O 3.49Å; S118-D120 VanDerWaalsContact OG-O 3.09Å
121	P	85.2	Confident	86.7	Confident	93 Å²	93	91.7 Å²	91.7	60%	0.604	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-58.8	142.3	171.7	26.2	-34.7	0	0	0	110.4	K170	P121-K170 PolarHBondContact O-NZ 2.98Å
122	P	88.2	Confident	87.1	Confident	61 Å²	61	88 Å²	88	40%	0.396	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-56.7	143.8	-175.6	24.9	-35	0	0	0	110.7	M124 E125 Y163	P122-M124 PolarHBondContact O-N 3.05Å; P122-E125 HydrophobicContact CG-CG 3.92Å; P122-Y163 VanDerWaalsContact CA-OH 3.31Å; P122-Y163 WeakPolarHBondContact CA-OH 3.41Å; P122-Y163 HydrophobicContact CB-CE2 4.09Å
123	A	89.8	Confident	87.5	Confident	26 Å²	26	86 Å²	86	22%	0.215	46%	0.458	C	S	.	.	S	Bend	trans	-63	-25.6	-179.7	0	0	0	0	0	112.7	Y163 A166 Y167 K170	A123-Y163 HydrophobicContact CB-CE1 4.2Å; A123-Y163 HydrophobicContact CB-CE2 4.07Å; A123-Y163 PolarHBondContact N-OH 3.01Å; A123-A166 HydrophobicContact CB-CB 4.08Å; A123-Y167 HydrophobicContact CB-CD2 4.37Å; A123-K170 HydrophobicContact CB-CD 4.29Å
124	M	92	Very high	87.9	Confident	38 Å²	38	80.4 Å²	80.4	19%	0.187	43%	0.432	C	S	.	.			trans	-149.2	134.8	175.4	-167.2	175.2	-165.1	0	0	110.3	P122 F126 F162 Y163 A166 H195 F196	P122-M124 PolarHBondContact O-N 3.05Å; M124-F126 HydrophobicContact CB-CE2 4.35Å; M124-F126 HydrophobicContact CB-CZ 4.22Å; M124-F126 HydrophobicContact CE-CE1 4.21Å; M124-F126 HydrophobicContact CG-CE1 4.18Å; M124-F126 HydrophobicContact CG-CE2 4.39Å; M124-F126 HydrophobicContact CG-CZ 3.95Å; M124-F126 HydrophobicContact SD-CE1 3.68Å; M124-F126 HydrophobicContact SD-CZ 3.62Å; M124-F162 HydrophobicContact SD-CB 3.8Å; M124-Y163 HydrophobicContact CB-CD2 4.17Å; M124-A166 HydrophobicContact CB-CB 3.88Å; M124-H195 HydrophobicContact CE-CB 4.43Å; M124-F196 HydrophobicContact CE-CZ 4.33Å; M124-F196 HydrophobicContact SD-CZ 4.17Å
125	E	90.2	Very high	88.2	Confident	161 Å²	161	80.6 Å²	80.6	75%	0.752	42%	0.423	S	S	*	.			trans	-97.8	147.7	169.7	-66.9	-168.7	165	0	0	110.9	P122	P122-E125 HydrophobicContact CG-CG 3.92Å
126	F	90.3	Very high	88.4	Confident	36 Å²	36	81.3 Å²	81.3	16%	0.158	43%	0.425	C	S	.	.			trans	-119.7	142.5	-179.9	-61.9	-80.4	0	0	0	110.7	M124 Y128 L130 V159 F162 Y163	M124-F126 HydrophobicContact CB-CE2 4.35Å; M124-F126 HydrophobicContact CB-CZ 4.22Å; M124-F126 HydrophobicContact CE-CE1 4.21Å; M124-F126 HydrophobicContact CG-CE1 4.18Å; M124-F126 HydrophobicContact CG-CE2 4.39Å; M124-F126 HydrophobicContact CG-CZ 3.95Å; M124-F126 HydrophobicContact SD-CE1 3.68Å; M124-F126 HydrophobicContact SD-CZ 3.62Å; F126-Y128 HydrophobicContact CB-CD2 4.23Å; F126-Y128 HydrophobicContact CB-CE2 3.9Å; F126-Y128 HydrophobicContact CD1-CE2 4.45Å; F126-Y128 HydrophobicContact CG-CE2 4.32Å; F126-Y128 PolarHBondContact O-N 3.24Å; F126-L130 HydrophobicContact CB-CD2 4.28Å; F126-L130 HydrophobicContact CD2-CD1 4.22Å; F126-L130 HydrophobicContact CD2-CD2 3.83Å; F126-L130 HydrophobicContact CD2-CG 4.41Å; F126-L130 HydrophobicContact CG-CD2 4.18Å; F126-V159 HydrophobicContact CD1-CG1 4.16Å; F126-V159 HydrophobicContact CD2-CG1 4.01Å; F126-V159 HydrophobicContact CE1-CG1 3.83Å; F126-V159 HydrophobicContact CE2-CG1 3.66Å; F126-V159 HydrophobicContact CG-CG1 4.25Å; F126-V159 HydrophobicContact CZ-CG1 3.56Å; F126-F162 HydrophobicContact CE1-CB 4.41Å; F126-F162 HydrophobicContact CE1-CD2 4.35Å; F126-F162 HydrophobicContact CZ-CB 4.34Å; F126-Y163 HydrophobicContact CE2-CD2 4.26Å
127	P	89.3	Confident	88.8	Confident	128 Å²	128	73 Å²	73	83%	0.831	39%	0.394	S	S	*	.	S	Bend	trans	-73.4	8.4	-176.9	30.7	-35.7	0	0	0	114.1
128	Y	88.3	Confident	89.4	Confident	114 Å²	114	66 Å²	66	45%	0.447	36%	0.361	S	S	.	.	S	Bend	trans	-138	151.8	-178.9	44.3	-101.2	0	0	0	110.6	F126 L130 V159	F126-Y128 HydrophobicContact CB-CD2 4.23Å; F126-Y128 HydrophobicContact CB-CE2 3.9Å; F126-Y128 HydrophobicContact CD1-CE2 4.45Å; F126-Y128 HydrophobicContact CG-CE2 4.32Å; F126-Y128 PolarHBondContact O-N 3.24Å; Y128-L130 HydrophobicContact CD2-CD2 4.4Å; Y128-L130 HydrophobicContact CE2-CD2 4.14Å; Y128-L130 PolarHBondContact O-N 3.41Å; Y128-V159 HydrophobicContact CE2-CG2 4.21Å; Y128-V159 WeakPolarHBondContact OH-CG2 3.27Å
129	K	89.8	Confident	90.2	Very high	185 Å²	185	66.7 Å²	66.7	80%	0.804	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-66.8	121.2	176.5	-175.7	180	179.5	-178.4	0	110
130	L	91.6	Very high	91.3	Very high	34 Å²	34	61.5 Å²	61.5	18%	0.178	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-63.8	138.5	175.4	-61.3	-179	0	0	0	112.4	F126 Y128 Q134 K135 I138 V159	F126-L130 HydrophobicContact CB-CD2 4.28Å; F126-L130 HydrophobicContact CD2-CD1 4.22Å; F126-L130 HydrophobicContact CD2-CD2 3.83Å; F126-L130 HydrophobicContact CD2-CG 4.41Å; F126-L130 HydrophobicContact CG-CD2 4.18Å; Y128-L130 HydrophobicContact CD2-CD2 4.4Å; Y128-L130 HydrophobicContact CE2-CD2 4.14Å; Y128-L130 PolarHBondContact O-N 3.41Å; L130-Q134 HydrophobicContact CB-CB 4.35Å; L130-K135 HydrophobicContact CB-CG 3.81Å; L130-K135 HydrophobicContact CD1-CG 4.45Å; L130-K135 WeakPolarHBondContact O-CE 3.42Å; L130-I138 HydrophobicContact CD1-CD1 3.67Å; L130-V159 HydrophobicContact CD2-CG1 3.66Å
131	D	91.1	Very high	92.1	Very high	47 Å²	47	56.1 Å²	56.1	25%	0.251	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-68.7	154.4	172.3	-66.8	-42.2	0	0	0	110.5	F133 Q134 K135 R539	D131-F133 VanDerWaalsContact C-N 3.3Å; D131-F133 HydrophobicContact CB-CD1 3.74Å; D131-F133 HydrophobicContact CB-CE1 3.7Å; D131-F133 PolarHBondContact O-N 2.9Å; D131-Q134 HydrophobicContact CB-CG 4.28Å; D131-Q134 WeakPolarHBondContact O-CB 3.33Å; D131-Q134 PolarHBondContact O-N 3.48Å; D131-K135 PolarHBondContact O-N 2.93Å; D131-R539 IonicContact OD1-NH2 2.93Å; D131-R539 IonicContact OD2-CZ 3.98Å; D131-R539 IonicContact OD2-NH1 3.2Å; D131-R539 PolarHBondContact OD2-NH1 2.83Å; D131-R539 IonicContact OD2-NH2 3.79Å; D131-R539 PolarHBondContact OD2-NH2 3.02Å
132	T	92.6	Very high	92.5	Very high	36 Å²	36	53.9 Å²	53.9	22%	0.221	27%	0.266	C	S	.	.	H	α-helix	trans	-53.3	-44.9	-175.3	-49	0	0	0	0	112.7	P96 D97 C100 Q134 K135 E136	P96-T132 HydrophobicContact CB-CG2 4.4Å; P96-T132 HydrophobicContact CG-CG2 4.25Å; D97-T132 HydrophobicContact CB-CG2 3.99Å; C100-T132 HydrophobicContact CB-CG2 4.5Å; T132-Q134 VanDerWaalsContact C-N 3.3Å; T132-Q134 PolarHBondContact O-N 3.37Å; T132-K135 PolarHBondContact O-N 3.23Å; T132-E136 WeakPolarHBondContact O-CG 3.46Å; T132-E136 PolarHBondContact O-N 3Å; T132-E136 VanDerWaalsContact O-N 3.08Å
133	F	93.8	Very high	92.8	Very high	11 Å²	11	51.9 Å²	51.9	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-30.7	179.9	85.1	-88.4	0	0	0	113.2	D131 A137 V149 A151 A155 I160 I297 T299	D131-F133 VanDerWaalsContact C-N 3.3Å; D131-F133 HydrophobicContact CB-CD1 3.74Å; D131-F133 HydrophobicContact CB-CE1 3.7Å; D131-F133 PolarHBondContact O-N 2.9Å; F133-A137 WeakPolarHBondContact O-CB 3.25Å; F133-A137 PolarHBondContact O-N 2.82Å; F133-V149 HydrophobicContact CD2-CG1 3.93Å; F133-V149 HydrophobicContact CE2-CG1 3.99Å; F133-A151 HydrophobicContact CE2-CB 4.29Å; F133-A155 HydrophobicContact CE1-CB 4.26Å; F133-A155 HydrophobicContact CZ-CB 3.87Å; F133-A155 WeakPolarHBondContact CZ-O 3.47Å; F133-I160 HydrophobicContact CD2-CD1 4.24Å; F133-I160 HydrophobicContact CE2-CD1 3.96Å; F133-I297 HydrophobicContact CB-CG2 3.79Å; F133-T299 HydrophobicContact CB-CG2 4.07Å; F133-T299 HydrophobicContact CD1-CG2 3.85Å; F133-T299 HydrophobicContact CD2-CG2 4.32Å; F133-T299 HydrophobicContact CE1-CG2 4.39Å; F133-T299 HydrophobicContact CG-CG2 3.81Å
134	Q	94.5	Very high	93.1	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-71.2	-41.3	177	-62.8	173.3	-41.5	0	0	110.6	L130 D131 T132 A137 I138 G156 I160	L130-Q134 HydrophobicContact CB-CB 4.35Å; D131-Q134 HydrophobicContact CB-CG 4.28Å; D131-Q134 WeakPolarHBondContact O-CB 3.33Å; D131-Q134 PolarHBondContact O-N 3.48Å; T132-Q134 VanDerWaalsContact C-N 3.3Å; T132-Q134 PolarHBondContact O-N 3.37Å; Q134-A137 PolarHBondContact O-N 2.8Å; Q134-I138 WeakPolarHBondContact O-CB 3.39Å; Q134-I138 WeakPolarHBondContact O-CG1 3.3Å; Q134-I138 PolarHBondContact O-N 3.36Å; Q134-G156 PolarHBondContact NE2-O 3.49Å; Q134-I160 HydrophobicContact CB-CG1 4.41Å; Q134-I160 HydrophobicContact CG-CD1 4.39Å; Q134-I160 HydrophobicContact CG-CG1 4.46Å
135	K	93.8	Very high	93.3	Very high	103 Å²	103	52.5 Å²	52.5	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-63.9	-46.4	177.6	-65.9	-175.5	172.6	-159.4	0	112.4	L130 D131 T132 A137 I138 R139	L130-K135 HydrophobicContact CB-CG 3.81Å; L130-K135 HydrophobicContact CD1-CG 4.45Å; L130-K135 WeakPolarHBondContact O-CE 3.42Å; D131-K135 PolarHBondContact O-N 2.93Å; T132-K135 PolarHBondContact O-N 3.23Å; K135-A137 VanDerWaalsContact C-N 3.28Å; K135-A137 PolarHBondContact O-N 2.86Å; K135-I138 PolarHBondContact O-N 2.7Å; K135-R139 WeakPolarHBondContact O-CB 3.27Å; K135-R139 PolarHBondContact O-N 3.47Å
136	E	94.4	Very high	93.6	Very high	23 Å²	23	44.8 Å²	44.8	11%	0.107	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-39	177.2	-68.9	-63.2	120.7	0	0	111.3	H102 T132 R139 C140 I297	H102-E136 IonicContact CE1-OE2 2.78Å; H102-E136 PolarHBondContact CE1-OE2 3.18Å; H102-E136 IonicContact CG-OE2 3.02Å; H102-E136 IonicContact ND1-OE2 2.73Å; H102-E136 PolarHBondContact ND1-OE2 2.98Å; T132-E136 WeakPolarHBondContact O-CG 3.46Å; T132-E136 PolarHBondContact O-N 3Å; T132-E136 VanDerWaalsContact O-N 3.08Å; E136-R139 PolarHBondContact O-N 2.69Å; E136-C140 PolarHBondContact O-N 2.88Å; E136-C140 VanDerWaalsContact O-N 3.17Å; E136-C140 PolarHBondContact O-SG 3.2Å; E136-I297 HydrophobicContact CB-CD1 3.69Å; E136-I297 HydrophobicContact CB-CG1 4.47Å
137	A	96.1	Very high	94	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.5	-40.8	178.2	0	0	0	0	0	112.6	F133 Q134 K135 R139 C140 I141 V147 V149 I160 I297	F133-A137 WeakPolarHBondContact O-CB 3.25Å; F133-A137 PolarHBondContact O-N 2.82Å; Q134-A137 PolarHBondContact O-N 2.8Å; K135-A137 VanDerWaalsContact C-N 3.28Å; K135-A137 PolarHBondContact O-N 2.86Å; A137-R139 VanDerWaalsContact C-N 3.33Å; A137-R139 PolarHBondContact O-N 2.91Å; A137-C140 WeakPolarHBondContact O-CB 3.42Å; A137-C140 PolarHBondContact O-N 2.99Å; A137-I141 PolarHBondContact O-N 3.1Å; A137-V147 HydrophobicContact CB-CG2 4.27Å; A137-V149 HydrophobicContact CB-CG2 3.98Å; A137-I160 HydrophobicContact CB-CD1 3.72Å; A137-I160 HydrophobicContact CB-CG1 4.07Å; A137-I160 HydrophobicContact CB-CG2 3.78Å; A137-I297 HydrophobicContact CB-CD1 3.75Å
138	I	95.8	Very high	94.4	Very high	13 Å²	13	37 Å²	37	7%	0.067	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-43.5	173.1	-77	168.3	0	0	0	110.9	L130 Q134 K135 C140 I141 E142 Y163	L130-I138 HydrophobicContact CD1-CD1 3.67Å; Q134-I138 WeakPolarHBondContact O-CB 3.39Å; Q134-I138 WeakPolarHBondContact O-CG1 3.3Å; Q134-I138 PolarHBondContact O-N 3.36Å; K135-I138 PolarHBondContact O-N 2.7Å; I138-C140 VanDerWaalsContact C-N 3.26Å; I138-C140 PolarHBondContact O-N 2.87Å; I138-I141 WeakPolarHBondContact O-CB 3.35Å; I138-I141 PolarHBondContact O-N 3.47Å; I138-I141 VanDerWaalsContact O-N 3.09Å; I138-E142 HydrophobicContact CG2-CG 4.43Å; I138-E142 WeakPolarHBondContact O-CG 3.31Å; I138-E142 PolarHBondContact O-N 2.95Å; I138-Y163 HydrophobicContact CB-CD1 4.28Å; I138-Y163 HydrophobicContact CB-CE1 4.5Å; I138-Y163 HydrophobicContact CB-CG 4.45Å; I138-Y163 HydrophobicContact CD1-CD2 3.99Å; I138-Y163 HydrophobicContact CD1-CG 4.01Å; I138-Y163 HydrophobicContact CG1-CD1 3.94Å; I138-Y163 HydrophobicContact CG1-CD2 4.14Å; I138-Y163 HydrophobicContact CG1-CG 3.69Å; I138-Y163 HydrophobicContact CG2-CD1 3.81Å; I138-Y163 HydrophobicContact CG2-CD2 4.21Å; I138-Y163 HydrophobicContact CG2-CE1 3.57Å; I138-Y163 HydrophobicContact CG2-CE2 4Å; I138-Y163 HydrophobicContact CG2-CG 4.12Å
139	R	94.5	Very high	94.9	Very high	67 Å²	67	31.6 Å²	31.6	25%	0.253	15%	0.148	S	C	.	.	H	α-helix	trans	-60.9	-32.9	176.1	-171.3	-175	-179.5	175.9	3.1	112.9	L115 K135 E136 A137 N143	L115-R139 HydrophobicContact CB-CG 4.07Å; L115-R139 HydrophobicContact CD1-CG 4.22Å; L115-R139 PolarHBondContact O-NE 2.81Å; L115-R139 PolarHBondContact O-NH2 2.97Å; K135-R139 WeakPolarHBondContact O-CB 3.27Å; K135-R139 PolarHBondContact O-N 3.47Å; E136-R139 PolarHBondContact O-N 2.69Å; A137-R139 VanDerWaalsContact C-N 3.33Å; A137-R139 PolarHBondContact O-N 2.91Å; R139-N143 PolarHBondContact O-N 3.23Å; R139-N143 PolarHBondContact O-ND2 2.96Å
140	C	95.8	Very high	95.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-45.6	173	-58.6	0	0	0	0	111.2	E136 A137 I138 E142 N143 D144 Q145 V147 H295	E136-C140 PolarHBondContact O-N 2.88Å; E136-C140 VanDerWaalsContact O-N 3.17Å; E136-C140 PolarHBondContact O-SG 3.2Å; A137-C140 WeakPolarHBondContact O-CB 3.42Å; A137-C140 PolarHBondContact O-N 2.99Å; I138-C140 VanDerWaalsContact C-N 3.26Å; I138-C140 PolarHBondContact O-N 2.87Å; C140-E142 PolarHBondContact O-N 3.29Å; C140-N143 CarbonylContact O-C 3.49Å; C140-N143 PolarHBondContact O-N 3.25Å; C140-N143 VanDerWaalsContact O-N 3.1Å; C140-D144 PolarHBondContact O-N 3.38Å; C140-Q145 CarbonylContact C-O 3.6Å; C140-Q145 PolarHBondContact O-N 2.98Å; C140-Q145 VanDerWaalsContact O-N 3.12Å; C140-V147 HydrophobicContact CB-CB 4.04Å; C140-V147 HydrophobicContact CB-CG1 4.44Å; C140-V147 HydrophobicContact CB-CG2 4.36Å; C140-H295 PolarHBondContact SG-ND1 3.04Å
141	I	96.3	Very high	95.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-44.5	177.5	-65	159	0	0	0	111	A137 I138 N143 D144 V147 I160 Y163 A164 Y167 W238 V270	A137-I141 PolarHBondContact O-N 3.1Å; I138-I141 WeakPolarHBondContact O-CB 3.35Å; I138-I141 PolarHBondContact O-N 3.47Å; I138-I141 VanDerWaalsContact O-N 3.09Å; I141-N143 PolarHBondContact O-N 3.4Å; I141-N143 VanDerWaalsContact O-N 3.17Å; I141-D144 PolarHBondContact O-N 3.43Å; I141-D144 VanDerWaalsContact O-N 3.12Å; I141-V147 HydrophobicContact CG1-CG1 4.2Å; I141-I160 HydrophobicContact CD1-CG2 3.72Å; I141-Y163 HydrophobicContact CG2-CD1 4.24Å; I141-A164 HydrophobicContact CD1-CB 4.04Å; I141-A164 HydrophobicContact CG2-CB 4.41Å; I141-Y167 HydrophobicContact CG2-CD1 3.84Å; I141-Y167 HydrophobicContact CG2-CE1 4.37Å; I141-Y167 HydrophobicContact CG2-CG 4.02Å; I141-Y167 WeakPolarHBondContact O-CE1 3.35Å; I141-W238 HydrophobicContact CB-CH2 4.21Å; I141-W238 HydrophobicContact CB-CZ2 4.48Å; I141-W238 HydrophobicContact CG1-CH2 4.09Å; I141-W238 HydrophobicContact CG1-CZ3 4.23Å; I141-W238 HydrophobicContact CG2-CH2 4.13Å; I141-W238 HydrophobicContact CG2-CZ2 3.98Å; I141-V270 HydrophobicContact CD1-CG2 4.11Å; I141-V270 HydrophobicContact CG1-CG2 4.15Å
142	E	95	Very high	94.9	Very high	45 Å²	45	20.4 Å²	20.4	21%	0.21	10%	0.096	C	C	.	.	H	α-helix	trans	-62.9	-19.4	176.7	-70	179.6	162.2	0	0	114.3	S118 I138 C140 Y163 Y167	S118-E142 VanDerWaalsContact CB-OE2 3.3Å; S118-E142 WeakPolarHBondContact CB-OE2 3.32Å; I138-E142 HydrophobicContact CG2-CG 4.43Å; I138-E142 WeakPolarHBondContact O-CG 3.31Å; I138-E142 PolarHBondContact O-N 2.95Å; C140-E142 PolarHBondContact O-N 3.29Å; E142-Y163 HydrophobicContact CG-CE1 3.85Å; E142-Y163 PolarHBondContact OE1-OH 3.41Å; E142-Y167 PolarHBondContact O-OH 2.93Å
143	N	94.4	Very high	94.3	Very high	20 Å²	20	20.9 Å²	20.9	11%	0.107	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	14.7	178.4	-80.7	-97.1	0	0	0	113	L115 R116 R139 C140 I141 Q145	L115-N143 HydrophobicContact CD2-CB 3.61Å; R116-N143 WeakPolarHBondContact CB-OD1 3.46Å; R116-N143 PolarHBondContact N-OD1 3.46Å; R116-N143 PolarHBondContact O-ND2 3.05Å; R139-N143 PolarHBondContact O-N 3.23Å; R139-N143 PolarHBondContact O-ND2 2.96Å; C140-N143 CarbonylContact O-C 3.49Å; C140-N143 PolarHBondContact O-N 3.25Å; C140-N143 VanDerWaalsContact O-N 3.1Å; I141-N143 PolarHBondContact O-N 3.4Å; I141-N143 VanDerWaalsContact O-N 3.17Å; N143-Q145 VanDerWaalsContact C-N 3.31Å; N143-Q145 PolarHBondContact O-N 3.25Å; N143-Q145 PolarHBondContact O-NE2 3.32Å; N143-Q145 VanDerWaalsContact O-NE2 3.12Å
144	D	95	Very high	93.7	Very high	51 Å²	51	21.6 Å²	21.6	27%	0.273	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	44.9	-177.4	-71.6	-26.7	0	0	0	112.6	C140 I141 Y167 R171 H268	C140-D144 PolarHBondContact O-N 3.38Å; I141-D144 PolarHBondContact O-N 3.43Å; I141-D144 VanDerWaalsContact O-N 3.12Å; D144-Y167 WeakPolarHBondContact OD1-CE1 3.49Å; D144-Y167 PolarHBondContact OD1-OH 3.33Å; D144-Y167 VanDerWaalsContact OD1-OH 3.13Å; D144-R171 IonicContact OD1-CZ 2.68Å; D144-R171 IonicContact OD1-NH1 2.77Å; D144-R171 PolarHBondContact OD1-NH1 3.47Å; D144-R171 IonicContact OD2-CZ 2.78Å; D144-R171 IonicContact OD2-NH1 3.16Å; D144-R171 PolarHBondContact OD2-NH1 3.45Å; D144-R171 IonicContact OD2-NH2 3.73Å; D144-R171 PolarHBondContact OD2-NH2 3.29Å; D144-H268 PolarHBondContact O-CE1 3.35Å; D144-H268 VanDerWaalsContact O-CE1 3.25Å
145	Q	96	Very high	93.2	Very high	25 Å²	25	21.5 Å²	21.5	12%	0.117	11%	0.105	C	C	.	.			trans	-126.9	129.6	-177.2	-76.3	163.9	59.3	0	0	111.8	C140 N143 K293 H295	C140-Q145 CarbonylContact C-O 3.6Å; C140-Q145 PolarHBondContact O-N 2.98Å; C140-Q145 VanDerWaalsContact O-N 3.12Å; N143-Q145 VanDerWaalsContact C-N 3.31Å; N143-Q145 PolarHBondContact O-N 3.25Å; N143-Q145 PolarHBondContact O-NE2 3.32Å; N143-Q145 VanDerWaalsContact O-NE2 3.12Å; Q145-K293 HydrophobicContact CG-CB 4.18Å; Q145-K293 HydrophobicContact CG-CD 4.46Å; Q145-H295 PolarHBondContact OE1-NE2 3.1Å
146	S	97.9	Very high	92.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	144.7	-178.6	-72.9	0	0	0	0	112	H269 Q292 K293 C294 H295	S146-H269 CarbonylContact C-O 3.59Å; S146-H269 VanDerWaalsContact CA-O 3.32Å; S146-H269 WeakPolarHBondContact CA-O 3.49Å; S146-H269 PolarHBondContact OG-CD2 3.03Å; S146-H269 PolarHBondContact OG-N 2.82Å; S146-Q292 PolarHBondContact OG-OE1 3.39Å; S146-K293 PolarHBondContact N-O 3.43Å; S146-C294 WeakPolarHBondContact O-CA 3.32Å; S146-H295 PolarHBondContact O-N 3.09Å
147	V	98	Very high	92.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	131.7	-173.4	61.2	0	0	0	0	113.6	A137 C140 I141 V149 H269 V270 F271 H295 I297	A137-V147 HydrophobicContact CB-CG2 4.27Å; C140-V147 HydrophobicContact CB-CB 4.04Å; C140-V147 HydrophobicContact CB-CG1 4.44Å; C140-V147 HydrophobicContact CB-CG2 4.36Å; I141-V147 HydrophobicContact CG1-CG1 4.2Å; V147-V149 HydrophobicContact CG2-CG2 4.17Å; V147-H269 PolarHBondContact N-O 3.35Å; V147-V270 HydrophobicContact CG1-CG1 4.4Å; V147-V270 HydrophobicContact CG1-CG2 4.16Å; V147-V270 WeakPolarHBondContact O-CA 3.44Å; V147-F271 PolarHBondContact O-N 3.05Å; V147-H295 HydrophobicContact CB-CB 4.21Å; V147-H295 HydrophobicContact CG2-CB 4.02Å; V147-I297 HydrophobicContact CG2-CD1 3.87Å; V147-I297 HydrophobicContact CG2-CG1 4.34Å
148	L	98.2	Very high	92.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.9	166.8	169.2	65.9	0	0	0	109.9	I244 F271 I276 G279 F282 H295 V296 I297	L148-I244 HydrophobicContact CD1-CG2 4.16Å; L148-F271 WeakPolarHBondContact CA-O 3.47Å; L148-F271 HydrophobicContact CB-CB 4.29Å; L148-F271 HydrophobicContact CD1-CB 3.66Å; L148-I276 HydrophobicContact CD2-CD1 4.36Å; L148-G279 WeakPolarHBondContact CD2-O 3.42Å; L148-F282 HydrophobicContact CD2-CB 4.31Å; L148-F282 HydrophobicContact CD2-CD1 3.95Å; L148-F282 HydrophobicContact CD2-CG 4.48Å; L148-H295 PolarHBondContact N-O 3.03Å; L148-V296 HydrophobicContact CB-CG2 4.49Å; L148-V296 HydrophobicContact CD2-CG1 4.2Å; L148-V296 HydrophobicContact CD2-CG2 4.22Å; L148-V296 WeakPolarHBondContact O-CA 3.48Å; L148-I297 PolarHBondContact O-N 2.79Å
149	V	97.6	Very high	92.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	107.3	176.6	-174.8	0	0	0	0	109.5	F133 A137 V147 A151 K157 I160 F271 L272 S273 I297	F133-V149 HydrophobicContact CD2-CG1 3.93Å; F133-V149 HydrophobicContact CE2-CG1 3.99Å; A137-V149 HydrophobicContact CB-CG2 3.98Å; V147-V149 HydrophobicContact CG2-CG2 4.17Å; V149-A151 HydrophobicContact CG1-CB 4.46Å; V149-K157 HydrophobicContact CG1-CD 4.4Å; V149-K157 HydrophobicContact CG1-CG 4.43Å; V149-I160 HydrophobicContact CB-CD1 4.33Å; V149-I160 HydrophobicContact CG1-CD1 3.78Å; V149-I160 HydrophobicContact CG2-CD1 3.75Å; V149-I160 HydrophobicContact CG2-CG2 4.33Å; V149-F271 PolarHBondContact N-O 3.23Å; V149-L272 HydrophobicContact CB-CD2 4.07Å; V149-L272 HydrophobicContact CG2-CD2 4.14Å; V149-S273 PolarHBondContact O-N 3.25Å; V149-I297 WeakPolarHBondContact CA-O 3.37Å
150	S	95.4	Very high	92.2	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.021	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	94.4	-180	177	0	0	0	0	109.9	A274 T275 I276 I297 S298 T299	S150-A274 PolarHBondContact OG-O 3.14Å; S150-T275 WeakPolarHBondContact OG-CA 3.34Å; S150-I276 PolarHBondContact OG-N 3.09Å; S150-I297 PolarHBondContact N-O 3.48Å; S150-S298 WeakPolarHBondContact O-CA 3.18Å; S150-T299 PolarHBondContact O-N 3.19Å
151	A	92	Very high	92.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155.2	-175.8	0	0	0	0	0	112.4	F133 V149 A155 K157 S273 A274 T299	F133-A151 HydrophobicContact CE2-CB 4.29Å; V149-A151 HydrophobicContact CG1-CB 4.46Å; A151-A155 HydrophobicContact CB-CB 3.84Å; A151-K157 HydrophobicContact CB-CD 4.28Å; A151-K157 HydrophobicContact CB-CG 4.24Å; A151-K157 PolarHBondContact O-NZ 3.39Å; A151-S273 PolarHBondContact N-O 2.88Å; A151-S273 VanDerWaalsContact N-O 3.16Å; A151-A274 WeakPolarHBondContact O-CA 3.43Å; A151-T299 HydrophobicContact CB-CG2 3.84Å
152	H	86.2	Confident	92.2	Very high	28 Å²	28	15.4 Å²	15.4	13%	0.13	9%	0.089	C	C	.	.			trans	-55.9	151.2	176.4	-65.5	-44.9	0	0	0	112.6	S154 A155	H152-S154 VanDerWaalsContact C-N 3.26Å; H152-S154 PolarHBondContact O-N 3.18Å; H152-A155 WeakPolarHBondContact O-CB 3.45Å; H152-A155 PolarHBondContact O-N 3.3Å
153	T	80.3	Confident	92.2	Very high	47 Å²	47	13.5 Å²	13.5	29%	0.288	8%	0.08	S	C	.	.	G	3₁₀ helix	trans	-55.5	-38.9	-177.3	-40.9	0	0	0	0	112.8	A155	T153-A155 VanDerWaalsContact C-N 3.3Å; T153-A155 PolarHBondContact O-N 3.2Å
154	S	79.9	Confident	92.4	Very high	25 Å²	25	12.6 Å²	12.6	18%	0.175	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-79.5	-0.3	177	55.3	0	0	0	0	115.3	H152 G156	H152-S154 VanDerWaalsContact C-N 3.26Å; H152-S154 PolarHBondContact O-N 3.18Å; S154-G156 PolarHBondContact O-N 3.17Å
155	A	84.1	Confident	92.4	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.008	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-67.9	-18.7	179.6	0	0	0	0	0	113.5	F133 A151 H152 T153 R539	F133-A155 HydrophobicContact CE1-CB 4.26Å; F133-A155 HydrophobicContact CZ-CB 3.87Å; F133-A155 WeakPolarHBondContact CZ-O 3.47Å; A151-A155 HydrophobicContact CB-CB 3.84Å; H152-A155 WeakPolarHBondContact O-CB 3.45Å; H152-A155 PolarHBondContact O-N 3.3Å; T153-A155 VanDerWaalsContact C-N 3.3Å; T153-A155 PolarHBondContact O-N 3.2Å; A155-R539 PolarHBondContact O-NH1 2.73Å
156	G	86.3	Confident	92.4	Very high	20 Å²	20	9.5 Å²	9.5	21%	0.206	6%	0.06	C	C	.	.			trans	90.6	41.9	-177.9	0	0	0	0	0	113.4	Q134 S154 T158 V159	Q134-G156 PolarHBondContact NE2-O 3.49Å; S154-G156 PolarHBondContact O-N 3.17Å; G156-T158 VanDerWaalsContact C-N 3.26Å; G156-T158 PolarHBondContact O-N 2.93Å; G156-V159 WeakPolarHBondContact O-CG2 3.46Å
157	K	90.9	Very high	92.3	Very high	8 Å²	8	10.9 Å²	10.9	4%	0.035	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.1	176.7	-61.7	-161.6	-59.5	-95.2	0	113.2	V149 A151 V159 I160 E243 L272 S273	V149-K157 HydrophobicContact CG1-CD 4.4Å; V149-K157 HydrophobicContact CG1-CG 4.43Å; A151-K157 HydrophobicContact CB-CD 4.28Å; A151-K157 HydrophobicContact CB-CG 4.24Å; A151-K157 PolarHBondContact O-NZ 3.39Å; K157-V159 PolarHBondContact O-N 3.34Å; K157-V159 VanDerWaalsContact O-N 3.12Å; K157-I160 WeakPolarHBondContact O-CB 3.44Å; K157-I160 PolarHBondContact O-N 3.03Å; K157-E243 IonicContact NZ-OE1 3.93Å; K157-E243 PolarHBondContact NZ-OE1 2.7Å; K157-E243 VanDerWaalsContact NZ-OE1 3.12Å; K157-L272 HydrophobicContact CB-CB 4.5Å; K157-L272 HydrophobicContact CB-CD1 4.21Å; K157-L272 HydrophobicContact CB-CD2 4.3Å; K157-L272 HydrophobicContact CD-CB 4.21Å; K157-S273 WeakPolarHBondContact CD-O 3.4Å; K157-S273 WeakPolarHBondContact CE-O 3.33Å; K157-S273 PolarHBondContact NZ-O 3.13Å
158	T	89.5	Confident	92.1	Very high	32 Å²	32	10.9 Å²	10.9	20%	0.196	7%	0.066	C	C	.	.	H	α-helix	trans	-54.1	-33.6	-177.5	-35.4	0	0	0	0	113.7	G156 I160 A161 F162	G156-T158 VanDerWaalsContact C-N 3.26Å; G156-T158 PolarHBondContact O-N 2.93Å; T158-I160 PolarHBondContact O-N 2.97Å; T158-A161 WeakPolarHBondContact O-CB 3.47Å; T158-A161 PolarHBondContact O-N 2.98Å; T158-F162 HydrophobicContact CG2-CD1 4.12Å; T158-F162 HydrophobicContact CG2-CE1 3.53Å; T158-F162 HydrophobicContact CG2-CE2 4.07Å; T158-F162 HydrophobicContact CG2-CZ 3.5Å; T158-F162 PolarHBondContact O-N 2.92Å
159	V	92.9	Very high	92	Very high	8 Å²	8	13.3 Å²	13.3	5%	0.048	8%	0.079	C	C	.	.	H	α-helix	trans	-54.6	-36.8	178.5	179.5	0	0	0	0	112	F126 Y128 L130 G156 K157 F162 Y163	F126-V159 HydrophobicContact CD1-CG1 4.16Å; F126-V159 HydrophobicContact CD2-CG1 4.01Å; F126-V159 HydrophobicContact CE1-CG1 3.83Å; F126-V159 HydrophobicContact CE2-CG1 3.66Å; F126-V159 HydrophobicContact CG-CG1 4.25Å; F126-V159 HydrophobicContact CZ-CG1 3.56Å; Y128-V159 HydrophobicContact CE2-CG2 4.21Å; Y128-V159 WeakPolarHBondContact OH-CG2 3.27Å; L130-V159 HydrophobicContact CD2-CG1 3.66Å; G156-V159 WeakPolarHBondContact O-CG2 3.46Å; K157-V159 PolarHBondContact O-N 3.34Å; K157-V159 VanDerWaalsContact O-N 3.12Å; V159-F162 PolarHBondContact O-N 3.33Å; V159-Y163 PolarHBondContact O-N 3.09Å
160	I	95.6	Very high	91.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-73.8	-36.6	-178	-57.4	164.1	0	0	0	110.1	F133 Q134 A137 I141 V149 K157 T158 Y163 A164 V270	F133-I160 HydrophobicContact CD2-CD1 4.24Å; F133-I160 HydrophobicContact CE2-CD1 3.96Å; Q134-I160 HydrophobicContact CB-CG1 4.41Å; Q134-I160 HydrophobicContact CG-CD1 4.39Å; Q134-I160 HydrophobicContact CG-CG1 4.46Å; A137-I160 HydrophobicContact CB-CD1 3.72Å; A137-I160 HydrophobicContact CB-CG1 4.07Å; A137-I160 HydrophobicContact CB-CG2 3.78Å; I141-I160 HydrophobicContact CD1-CG2 3.72Å; V149-I160 HydrophobicContact CB-CD1 4.33Å; V149-I160 HydrophobicContact CG1-CD1 3.78Å; V149-I160 HydrophobicContact CG2-CD1 3.75Å; V149-I160 HydrophobicContact CG2-CG2 4.33Å; K157-I160 WeakPolarHBondContact O-CB 3.44Å; K157-I160 PolarHBondContact O-N 3.03Å; T158-I160 PolarHBondContact O-N 2.97Å; I160-Y163 PolarHBondContact O-N 3.27Å; I160-A164 PolarHBondContact O-N 3.18Å; I160-V270 HydrophobicContact CG2-CG1 4.11Å
161	A	95.2	Very high	91.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.7	-43.4	171.9	0	0	0	0	0	112.2	T158 Y163 A164 I165 Y177 I240 L272	T158-A161 WeakPolarHBondContact O-CB 3.47Å; T158-A161 PolarHBondContact O-N 2.98Å; A161-Y163 VanDerWaalsContact C-N 3.27Å; A161-Y163 PolarHBondContact O-N 3.5Å; A161-A164 PolarHBondContact O-N 3.43Å; A161-I165 WeakPolarHBondContact O-CG1 3.47Å; A161-I165 PolarHBondContact O-N 2.84Å; A161-Y177 HydrophobicContact CB-CD2 4.32Å; A161-Y177 HydrophobicContact CB-CE2 3.82Å; A161-I240 HydrophobicContact CB-CD1 4Å; A161-I240 HydrophobicContact CB-CG2 3.89Å; A161-L272 HydrophobicContact CB-CD1 4.09Å
162	F	95.4	Very high	91.6	Very high	11 Å²	11	32.8 Å²	32.8	5%	0.048	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-40.3	174.8	-64.8	-15.4	0	0	0	111.5	M124 F126 T158 V159 I165 A166 E191 L192 F196	M124-F162 HydrophobicContact SD-CB 3.8Å; F126-F162 HydrophobicContact CE1-CB 4.41Å; F126-F162 HydrophobicContact CE1-CD2 4.35Å; F126-F162 HydrophobicContact CZ-CB 4.34Å; T158-F162 HydrophobicContact CG2-CD1 4.12Å; T158-F162 HydrophobicContact CG2-CE1 3.53Å; T158-F162 HydrophobicContact CG2-CE2 4.07Å; T158-F162 HydrophobicContact CG2-CZ 3.5Å; T158-F162 PolarHBondContact O-N 2.92Å; V159-F162 PolarHBondContact O-N 3.33Å; F162-I165 PolarHBondContact O-N 3.32Å; F162-A166 WeakPolarHBondContact O-CB 3.48Å; F162-A166 PolarHBondContact O-N 3.19Å; F162-E191 HydrophobicContact CZ-CG 3.95Å; F162-E191 WeakPolarHBondContact CZ-OE1 3.23Å; F162-L192 HydrophobicContact CD1-CD2 3.6Å; F162-L192 HydrophobicContact CE1-CD2 3.51Å; F162-L192 HydrophobicContact CE1-CG 4.36Å; F162-F196 HydrophobicContact CB-CZ 4.4Å; F162-F196 HydrophobicContact CD1-CE2 4.33Å; F162-F196 WeakPolarHBondContact O-CZ 3.45Å
163	Y	96.5	Very high	92	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.02	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-45.4	175.3	-160.7	-90.6	0	0	0	112.6	P122 A123 M124 F126 I138 I141 E142 V159 I160 A161 I165 A166 Y167	P122-Y163 VanDerWaalsContact CA-OH 3.31Å; P122-Y163 WeakPolarHBondContact CA-OH 3.41Å; P122-Y163 HydrophobicContact CB-CE2 4.09Å; A123-Y163 HydrophobicContact CB-CE1 4.2Å; A123-Y163 HydrophobicContact CB-CE2 4.07Å; A123-Y163 PolarHBondContact N-OH 3.01Å; M124-Y163 HydrophobicContact CB-CD2 4.17Å; F126-Y163 HydrophobicContact CE2-CD2 4.26Å; I138-Y163 HydrophobicContact CB-CD1 4.28Å; I138-Y163 HydrophobicContact CB-CE1 4.5Å; I138-Y163 HydrophobicContact CB-CG 4.45Å; I138-Y163 HydrophobicContact CD1-CD2 3.99Å; I138-Y163 HydrophobicContact CD1-CG 4.01Å; I138-Y163 HydrophobicContact CG1-CD1 3.94Å; I138-Y163 HydrophobicContact CG1-CD2 4.14Å; I138-Y163 HydrophobicContact CG1-CG 3.69Å; I138-Y163 HydrophobicContact CG2-CD1 3.81Å; I138-Y163 HydrophobicContact CG2-CD2 4.21Å; I138-Y163 HydrophobicContact CG2-CE1 3.57Å; I138-Y163 HydrophobicContact CG2-CE2 4Å; I138-Y163 HydrophobicContact CG2-CG 4.12Å; I141-Y163 HydrophobicContact CG2-CD1 4.24Å; E142-Y163 HydrophobicContact CG-CE1 3.85Å; E142-Y163 PolarHBondContact OE1-OH 3.41Å; V159-Y163 PolarHBondContact O-N 3.09Å; I160-Y163 PolarHBondContact O-N 3.27Å; A161-Y163 VanDerWaalsContact C-N 3.27Å; A161-Y163 PolarHBondContact O-N 3.5Å; Y163-I165 VanDerWaalsContact C-N 3.31Å; Y163-I165 PolarHBondContact O-N 3.17Å; Y163-A166 PolarHBondContact O-N 3.17Å; Y163-Y167 WeakPolarHBondContact O-CB 3.4Å; Y163-Y167 PolarHBondContact O-N 2.95Å
164	A	96.5	Very high	92.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-37.7	176.7	0	0	0	0	0	112.8	I141 I160 A161 S168 I240 V270	I141-A164 HydrophobicContact CD1-CB 4.04Å; I141-A164 HydrophobicContact CG2-CB 4.41Å; I160-A164 PolarHBondContact O-N 3.18Å; A161-A164 PolarHBondContact O-N 3.43Å; A164-S168 WeakPolarHBondContact O-CB 3.42Å; A164-S168 PolarHBondContact O-N 3.33Å; A164-S168 PolarHBondContact O-OG 3.32Å; A164-I240 HydrophobicContact CB-CD1 4.03Å; A164-I240 HydrophobicContact CB-CG1 4.46Å; A164-V270 HydrophobicContact CB-CG2 3.94Å
165	I	96.8	Very high	93.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-53.2	174.2	-68	166.3	0	0	0	110.1	A161 F162 Y163 Y167 S168 L169 V175 Y177 L192 F196 C214 I240	A161-I165 WeakPolarHBondContact O-CG1 3.47Å; A161-I165 PolarHBondContact O-N 2.84Å; F162-I165 PolarHBondContact O-N 3.32Å; Y163-I165 VanDerWaalsContact C-N 3.31Å; Y163-I165 PolarHBondContact O-N 3.17Å; I165-Y167 VanDerWaalsContact C-N 3.27Å; I165-Y167 PolarHBondContact O-N 2.98Å; I165-S168 PolarHBondContact O-N 2.82Å; I165-L169 HydrophobicContact CG2-CD1 3.84Å; I165-L169 HydrophobicContact CG2-CG 4.34Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.17Å; I165-L169 PolarHBondContact O-N 2.91Å; I165-V175 HydrophobicContact CB-CG1 4.22Å; I165-V175 HydrophobicContact CG1-CG1 3.94Å; I165-V175 HydrophobicContact CG1-CG2 3.9Å; I165-V175 HydrophobicContact CG2-CG1 4.02Å; I165-Y177 HydrophobicContact CD1-CD2 4.36Å; I165-L192 HydrophobicContact CD1-CD1 3.98Å; I165-L192 HydrophobicContact CD1-CD2 3.45Å; I165-L192 VanDerWaalsContact CD1-CD2 3.45Å; I165-L192 HydrophobicContact CD1-CG 4.39Å; I165-F196 HydrophobicContact CB-CE2 4.12Å; I165-F196 HydrophobicContact CB-CZ 4.03Å; I165-F196 HydrophobicContact CD1-CE2 4.48Å; I165-F196 HydrophobicContact CG2-CD1 4Å; I165-F196 HydrophobicContact CG2-CD2 3.8Å; I165-F196 HydrophobicContact CG2-CE1 3.87Å; I165-F196 HydrophobicContact CG2-CE2 3.66Å; I165-F196 HydrophobicContact CG2-CG 3.97Å; I165-F196 HydrophobicContact CG2-CZ 3.7Å; I165-C214 HydrophobicContact CG2-CB 4.33Å; I165-I240 HydrophobicContact CD1-CD1 4.05Å; I165-I240 HydrophobicContact CG1-CD1 3.66Å
166	A	95.8	Very high	94.2	Very high	11 Å²	11	33.1 Å²	33.1	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-57.8	-40.2	178.3	0	0	0	0	0	112.5	A123 M124 F162 Y163 K170 F196	A123-A166 HydrophobicContact CB-CB 4.08Å; M124-A166 HydrophobicContact CB-CB 3.88Å; F162-A166 WeakPolarHBondContact O-CB 3.48Å; F162-A166 PolarHBondContact O-N 3.19Å; Y163-A166 PolarHBondContact O-N 3.17Å; A166-K170 VanDerWaalsContact O-CB 3.28Å; A166-K170 WeakPolarHBondContact O-CB 3.5Å; A166-K170 PolarHBondContact O-N 3.33Å; A166-F196 HydrophobicContact CB-CE1 3.92Å; A166-F196 HydrophobicContact CB-CZ 4.28Å
167	Y	95.3	Very high	94.7	Very high	30 Å²	30	32.2 Å²	32.2	12%	0.118	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-43.3	177.3	-175.9	-102.2	0	0	0	112.5	A123 I141 E142 D144 Y163 I165 K170 R171 W238	A123-Y167 HydrophobicContact CB-CD2 4.37Å; I141-Y167 HydrophobicContact CG2-CD1 3.84Å; I141-Y167 HydrophobicContact CG2-CE1 4.37Å; I141-Y167 HydrophobicContact CG2-CG 4.02Å; I141-Y167 WeakPolarHBondContact O-CE1 3.35Å; E142-Y167 PolarHBondContact O-OH 2.93Å; D144-Y167 WeakPolarHBondContact OD1-CE1 3.49Å; D144-Y167 PolarHBondContact OD1-OH 3.33Å; D144-Y167 VanDerWaalsContact OD1-OH 3.13Å; Y163-Y167 WeakPolarHBondContact O-CB 3.4Å; Y163-Y167 PolarHBondContact O-N 2.95Å; I165-Y167 VanDerWaalsContact C-N 3.27Å; I165-Y167 PolarHBondContact O-N 2.98Å; Y167-K170 PolarHBondContact O-N 2.99Å; Y167-R171 PolarHBondContact O-N 3.23Å; Y167-R171 PolarHBondContact OH-NH1 3.5Å; Y167-W238 AromaticContact CD1-NE1 3.85Å; Y167-W238 HydrophobicContact CE1-CZ2 4.4Å; Y167-W238 AromaticContact CE1-NE1 3.98Å
168	S	94.8	Very high	95	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-47.2	176.3	-54.9	0	0	0	0	111.5	A164 I165 K170 R171 E172 Q173	A164-S168 WeakPolarHBondContact O-CB 3.42Å; A164-S168 PolarHBondContact O-N 3.33Å; A164-S168 PolarHBondContact O-OG 3.32Å; I165-S168 PolarHBondContact O-N 2.82Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-K170 PolarHBondContact O-N 3.47Å; S168-R171 CarbonylContact O-C 3.55Å; S168-R171 WeakPolarHBondContact O-CA 3.23Å; S168-R171 PolarHBondContact O-N 2.98Å; S168-E172 PolarHBondContact O-N 3.42Å; S168-Q173 CarbonylContact C-O 3.5Å; S168-Q173 PolarHBondContact O-N 3.35Å
169	L	94.2	Very high	95.1	Very high	51 Å²	51	30.3 Å²	30.3	27%	0.267	14%	0.136	S	C	.	.	H	α-helix	trans	-63	-38.6	178.6	-65.4	177	0	0	0	111.9	I165 R171 E172 F196 A213	I165-L169 HydrophobicContact CG2-CD1 3.84Å; I165-L169 HydrophobicContact CG2-CG 4.34Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.17Å; I165-L169 PolarHBondContact O-N 2.91Å; L169-R171 PolarHBondContact O-N 3.26Å; L169-E172 PolarHBondContact O-N 2.91Å; L169-E172 VanDerWaalsContact O-N 3.15Å; L169-F196 HydrophobicContact CD1-CB 4.43Å; L169-F196 HydrophobicContact CD1-CD1 3.7Å; L169-F196 HydrophobicContact CD1-CE1 4.33Å; L169-F196 HydrophobicContact CD1-CG 4.25Å; L169-A213 HydrophobicContact CD2-CB 3.42Å; L169-A213 VanDerWaalsContact CD2-CB 3.42Å
170	K	92.9	Very high	94.8	Very high	110 Å²	110	29.9 Å²	29.9	48%	0.478	13%	0.133	S	C	.	.	H	α-helix	trans	-61.1	-21.7	173.8	-174.5	-178.5	177.3	-169.6	0	113	P121 A123 A166 Y167 S168	P121-K170 PolarHBondContact O-NZ 2.98Å; A123-K170 HydrophobicContact CB-CD 4.29Å; A166-K170 VanDerWaalsContact O-CB 3.28Å; A166-K170 WeakPolarHBondContact O-CB 3.5Å; A166-K170 PolarHBondContact O-N 3.33Å; Y167-K170 PolarHBondContact O-N 2.99Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-K170 PolarHBondContact O-N 3.47Å
171	R	92.2	Very high	94.3	Very high	109 Å²	109	32.5 Å²	32.5	41%	0.411	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	11.2	179.1	-65	178.8	71.9	169.2	-2.7	113.5	D144 Y167 S168 L169 Q173	D144-R171 IonicContact OD1-CZ 2.68Å; D144-R171 IonicContact OD1-NH1 2.77Å; D144-R171 PolarHBondContact OD1-NH1 3.47Å; D144-R171 IonicContact OD2-CZ 2.78Å; D144-R171 IonicContact OD2-NH1 3.16Å; D144-R171 PolarHBondContact OD2-NH1 3.45Å; D144-R171 IonicContact OD2-NH2 3.73Å; D144-R171 PolarHBondContact OD2-NH2 3.29Å; Y167-R171 PolarHBondContact O-N 3.23Å; Y167-R171 PolarHBondContact OH-NH1 3.5Å; S168-R171 CarbonylContact O-C 3.55Å; S168-R171 WeakPolarHBondContact O-CA 3.23Å; S168-R171 PolarHBondContact O-N 2.98Å; L169-R171 PolarHBondContact O-N 3.26Å; R171-Q173 HydrophobicContact CB-CG 4.25Å; R171-Q173 PolarHBondContact O-N 2.94Å
172	E	92.9	Very high	93.7	Very high	193 Å²	193	35.2 Å²	35.2	90%	0.902	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	26.8	-176.9	-55.4	-177.4	165.2	0	0	113.5	S168 L169	S168-E172 PolarHBondContact O-N 3.42Å; L169-E172 PolarHBondContact O-N 2.91Å; L169-E172 VanDerWaalsContact O-N 3.15Å
173	Q	93.8	Very high	92.8	Very high	62 Å²	62	35.9 Å²	35.9	29%	0.29	17%	0.166	S	C	.	.			trans	-98.5	149.2	176.3	-66.7	-178.6	-41.6	0	0	111.1	S168 R171	S168-Q173 CarbonylContact C-O 3.5Å; S168-Q173 PolarHBondContact O-N 3.35Å; R171-Q173 HydrophobicContact CB-CG 4.25Å; R171-Q173 PolarHBondContact O-N 2.94Å
174	R	95.6	Very high	92.2	Very high	45 Å²	45	36 Å²	36	17%	0.17	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	152.7	167.7	-61.9	-161.4	-164.5	-127.1	0.6	111.6	S211 A212 A213 E235 V236 G237	R174-S211 PolarHBondContact NH1-O 2.92Å; R174-A212 PolarHBondContact NH1-O 2.81Å; R174-A213 CarbonylContact C-O 3.56Å; R174-A213 VanDerWaalsContact CA-O 3.25Å; R174-A213 WeakPolarHBondContact CA-O 3.18Å; R174-A213 WeakPolarHBondContact CB-O 3.18Å; R174-E235 HydrophobicContact CB-CB 4.45Å; R174-E235 WeakPolarHBondContact CB-O 3.31Å; R174-E235 HydrophobicContact CG-CB 3.9Å; R174-E235 IonicContact CZ-OE2 2.83Å; R174-E235 PolarHBondContact N-O 3.04Å; R174-E235 IonicContact NE-OE2 2.63Å; R174-E235 PolarHBondContact NE-OE2 3.08Å; R174-E235 IonicContact NH2-OE2 3.62Å; R174-E235 PolarHBondContact NH2-OE2 3.26Å; R174-V236 HydrophobicContact CB-CG2 4.12Å; R174-V236 WeakPolarHBondContact O-CA 3.37Å; R174-G237 PolarHBondContact O-N 3.36Å
175	V	97.2	Very high	91.9	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.7	174.5	59	0	0	0	0	109.8	I165 A213 C214 L215 W238 I240	I165-V175 HydrophobicContact CB-CG1 4.22Å; I165-V175 HydrophobicContact CG1-CG1 3.94Å; I165-V175 HydrophobicContact CG1-CG2 3.9Å; I165-V175 HydrophobicContact CG2-CG1 4.02Å; V175-A213 PolarHBondContact N-O 3.08Å; V175-C214 HydrophobicContact CG1-CB 3.88Å; V175-C214 WeakPolarHBondContact O-CA 3.38Å; V175-L215 PolarHBondContact O-N 3.14Å; V175-W238 WeakPolarHBondContact CA-O 3.24Å; V175-W238 HydrophobicContact CG2-CB 4.07Å; V175-I240 HydrophobicContact CG2-CD1 3.92Å; V175-I240 HydrophobicContact CG2-CG1 4.29Å
176	V	97.4	Very high	91.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.3	176.3	173.9	0	0	0	0	109.3	T178 L215 M217 V236 W238 V239 I240	V176-T178 HydrophobicContact CG1-CG2 3.82Å; V176-L215 CarbonylContact C-O 3.58Å; V176-L215 WeakPolarHBondContact CA-O 3.44Å; V176-M217 HydrophobicContact CG1-CE 3.76Å; V176-M217 HydrophobicContact CG1-CG 3.79Å; V176-M217 HydrophobicContact CG1-SD 3.63Å; V176-M217 HydrophobicContact CG2-CE 4.16Å; V176-V236 HydrophobicContact CG2-CG1 4.13Å; V176-V236 HydrophobicContact CG2-CG2 3.78Å; V176-W238 PolarHBondContact N-O 3.17Å; V176-V239 HydrophobicContact CB-CG2 4.24Å; V176-V239 WeakPolarHBondContact O-CA 3.36Å; V176-I240 PolarHBondContact O-N 3.07Å
177	Y	97.5	Very high	90.8	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	108.9	171.3	-171.8	-80.1	0	0	0	109.6	A161 I165 K188 L192 L215 V216 M217 I240 D242	A161-Y177 HydrophobicContact CB-CD2 4.32Å; A161-Y177 HydrophobicContact CB-CE2 3.82Å; I165-Y177 HydrophobicContact CD1-CD2 4.36Å; Y177-K188 HydrophobicContact CD1-CB 4.3Å; Y177-K188 HydrophobicContact CE1-CB 3.83Å; Y177-K188 HydrophobicContact CE1-CD 3.99Å; Y177-K188 HydrophobicContact CE1-CG 3.66Å; Y177-K188 VanDerWaalsContact OH-CD 3.31Å; Y177-K188 WeakPolarHBondContact OH-CD 3.31Å; Y177-K188 WeakPolarHBondContact OH-CE 3.31Å; Y177-L192 HydrophobicContact CD2-CD1 4.41Å; Y177-L192 HydrophobicContact CG-CD1 4.26Å; Y177-L215 PolarHBondContact N-O 3.32Å; Y177-V216 HydrophobicContact CD1-CG1 4.22Å; Y177-V216 CarbonylContact O-C 3.51Å; Y177-V216 WeakPolarHBondContact O-CA 3.47Å; Y177-M217 PolarHBondContact O-N 3.42Å; Y177-I240 HydrophobicContact CD2-CB 4Å; Y177-I240 HydrophobicContact CD2-CD1 4.09Å; Y177-I240 HydrophobicContact CD2-CG2 3.79Å; Y177-I240 HydrophobicContact CE2-CG2 3.86Å; Y177-D242 HydrophobicContact CE1-CB 4.11Å; Y177-D242 WeakPolarHBondContact OH-CB 2.95Å; Y177-D242 VanDerWaalsContact OH-CG 3.24Å; Y177-D242 PolarHBondContact OH-OD2 3.22Å; Y177-D242 VanDerWaalsContact OH-OD2 3.05Å
178	T	96.5	Very high	90.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.4	176.6	65.9	0	0	0	0	111.9	V176 M217 L222 V239 I240 F241 D242	V176-T178 HydrophobicContact CG1-CG2 3.82Å; T178-M217 WeakPolarHBondContact CA-O 3.47Å; T178-M217 HydrophobicContact CG2-CG 4.15Å; T178-L222 HydrophobicContact CG2-CB 4.23Å; T178-L222 HydrophobicContact CG2-CD2 3.59Å; T178-V239 HydrophobicContact CG2-CG1 4.3Å; T178-I240 PolarHBondContact N-O 2.67Å; T178-I240 PolarHBondContact OG1-O 3.11Å; T178-F241 HydrophobicContact CG2-CE1 4.46Å; T178-F241 WeakPolarHBondContact OG1-CA 3.41Å; T178-F241 WeakPolarHBondContact OG1-CD1 3.32Å; T178-D242 WeakPolarHBondContact O-CB 3.24Å; T178-D242 PolarHBondContact O-N 3.16Å; T178-D242 VanDerWaalsContact O-N 3.11Å
179	S	92.2	Very high	90.4	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147.7	179	52.7	0	0	0	0	111.7	I181 S185 M217 T218	S179-I181 VanDerWaalsContact C-N 3.32Å; S179-I181 PolarHBondContact O-N 2.75Å; S179-S185 WeakPolarHBondContact OG-CA 3.13Å; S179-S185 WeakPolarHBondContact OG-CB 3.41Å; S179-S185 PolarHBondContact OG-N 2.8Å; S179-S185 PolarHBondContact OG-OG 2.97Å; S179-M217 PolarHBondContact N-O 2.9Å; S179-M217 PolarHBondContact OG-O 2.82Å; S179-T218 WeakPolarHBondContact O-CA 3.06Å
180	P	87.2	Confident	90.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-68.9	-16.5	-176	23.3	-35.3	0	0	0	115.5	L184 D242 E243 Y246 R252 W256	P180-L184 HydrophobicContact CG-CD2 4.15Å; P180-D242 WeakPolarHBondContact CD-O 3.49Å; P180-E243 HydrophobicContact CG-CB 4.19Å; P180-Y246 HydrophobicContact CB-CD1 3.73Å; P180-Y246 HydrophobicContact CB-CE1 4.09Å; P180-Y246 HydrophobicContact CB-CG 3.99Å; P180-Y246 HydrophobicContact CG-CD1 4.3Å; P180-Y246 HydrophobicContact CG-CD2 4.42Å; P180-Y246 HydrophobicContact CG-CE1 4.36Å; P180-Y246 HydrophobicContact CG-CE2 4.48Å; P180-Y246 HydrophobicContact CG-CG 4.32Å; P180-R252 PolarHBondContact O-NH1 3.45Å; P180-R252 PolarHBondContact O-NH2 3.4Å; P180-W256 HydrophobicContact CB-CZ2 3.82Å; P180-W256 HydrophobicContact CG-CZ2 4.45Å
181	I	83.6	Confident	90	Very high	55 Å²	55	39.1 Å²	39.1	28%	0.282	17%	0.174	S	C	.	.	S	Bend	trans	-143.2	133.8	-169.7	-51.9	179.4	0	0	0	110.1	S179 A183 L184 S185	S179-I181 VanDerWaalsContact C-N 3.32Å; S179-I181 PolarHBondContact O-N 2.75Å; I181-A183 HydrophobicContact CG2-CB 4.25Å; I181-A183 PolarHBondContact O-N 3.49Å; I181-A183 VanDerWaalsContact O-N 3.08Å; I181-L184 HydrophobicContact CB-CB 4.45Å; I181-L184 WeakPolarHBondContact O-CA 3.37Å; I181-L184 WeakPolarHBondContact O-CB 3.43Å; I181-L184 PolarHBondContact O-N 3.1Å; I181-S185 PolarHBondContact O-N 2.99Å; I181-S185 PolarHBondContact O-OG 3.45Å; I181-S185 VanDerWaalsContact O-OG 3.09Å
182	K	82.8	Confident	90	Very high	56 Å²	56	33.9 Å²	33.9	24%	0.243	16%	0.155	C	C	.	.	H	α-helix	trans	-45.9	-41.9	176.9	-61.3	-178.4	178.4	-179.7	0	112.3	S185 N186 D205 T218 E1015	K182-S185 WeakPolarHBondContact O-CB 3.12Å; K182-S185 PolarHBondContact O-N 3.48Å; K182-N186 VanDerWaalsContact O-CG 3.29Å; K182-N186 PolarHBondContact O-N 3.5Å; K182-N186 PolarHBondContact O-OD1 2.81Å; K182-N186 VanDerWaalsContact O-OD1 3.1Å; K182-D205 VanDerWaalsContact CD-OD1 3.29Å; K182-D205 WeakPolarHBondContact CD-OD1 3.38Å; K182-D205 WeakPolarHBondContact CE-OD1 3.44Å; K182-D205 IonicContact NZ-OD1 2.66Å; K182-D205 PolarHBondContact NZ-OD1 3.29Å; K182-T218 HydrophobicContact CG-CG2 4.03Å; K182-E1015 IonicContact NZ-OE1 3.21Å; K182-E1015 PolarHBondContact NZ-OE1 3.37Å; K182-E1015 IonicContact NZ-OE2 2.79Å; K182-E1015 PolarHBondContact NZ-OE2 3.2Å
183	A	77.7	Confident	90.1	Very high	25 Å²	25	27.3 Å²	27.3	21%	0.207	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-40.3	175.9	0	0	0	0	0	114.3	I181 N186 Q187	I181-A183 HydrophobicContact CG2-CB 4.25Å; I181-A183 PolarHBondContact O-N 3.49Å; I181-A183 VanDerWaalsContact O-N 3.08Å; A183-N186 PolarHBondContact O-N 2.88Å; A183-Q187 PolarHBondContact O-N 2.96Å
184	L	83.7	Confident	89.9	Confident	7 Å²	7	30.9 Å²	30.9	4%	0.037	15%	0.146	C	C	.	.	H	α-helix	trans	-69.2	-37.2	173.6	178.4	54.3	0	0	0	110.8	P180 I181 N186 Q187 K188 G482	P180-L184 HydrophobicContact CG-CD2 4.15Å; I181-L184 HydrophobicContact CB-CB 4.45Å; I181-L184 WeakPolarHBondContact O-CA 3.37Å; I181-L184 WeakPolarHBondContact O-CB 3.43Å; I181-L184 PolarHBondContact O-N 3.1Å; L184-N186 VanDerWaalsContact C-N 3.32Å; L184-N186 PolarHBondContact O-N 3.33Å; L184-Q187 PolarHBondContact O-N 3.32Å; L184-K188 HydrophobicContact CD1-CD 4.4Å; L184-K188 HydrophobicContact CD1-CG 3.66Å; L184-K188 HydrophobicContact CG-CG 4.2Å; L184-K188 VanDerWaalsContact O-CB 3.31Å; L184-K188 WeakPolarHBondContact O-CB 3.41Å; L184-K188 VanDerWaalsContact O-CG 3.26Å; L184-K188 WeakPolarHBondContact O-CG 3.44Å; L184-K188 PolarHBondContact O-N 2.98Å; L184-G482 WeakPolarHBondContact CB-O 3.31Å; L184-G482 WeakPolarHBondContact CD1-O 3.41Å; L184-G482 WeakPolarHBondContact CD2-O 3.24Å
185	S	89.6	Confident	89.7	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.7	-45.8	172.8	-41.2	0	0	0	0	111	S179 I181 K182 K188 Y189 V216 T218	S179-S185 WeakPolarHBondContact OG-CA 3.13Å; S179-S185 WeakPolarHBondContact OG-CB 3.41Å; S179-S185 PolarHBondContact OG-N 2.8Å; S179-S185 PolarHBondContact OG-OG 2.97Å; I181-S185 PolarHBondContact O-N 2.99Å; I181-S185 PolarHBondContact O-OG 3.45Å; I181-S185 VanDerWaalsContact O-OG 3.09Å; K182-S185 WeakPolarHBondContact O-CB 3.12Å; K182-S185 PolarHBondContact O-N 3.48Å; S185-K188 PolarHBondContact O-N 2.88Å; S185-Y189 VanDerWaalsContact O-CB 3.31Å; S185-Y189 WeakPolarHBondContact O-CB 3.26Å; S185-Y189 PolarHBondContact O-N 3.2Å; S185-V216 WeakPolarHBondContact O-CG1 3.27Å; S185-T218 WeakPolarHBondContact OG-CG2 3.29Å
186	N	85.9	Confident	89.5	Confident	13 Å²	13	33.9 Å²	33.9	7%	0.07	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-44.4	177.3	-61.5	1	0	0	0	111.9	K182 A183 L184 K188 Y189 R190 S1052 Y1054 L1055	K182-N186 VanDerWaalsContact O-CG 3.29Å; K182-N186 PolarHBondContact O-N 3.5Å; K182-N186 PolarHBondContact O-OD1 2.81Å; K182-N186 VanDerWaalsContact O-OD1 3.1Å; A183-N186 PolarHBondContact O-N 2.88Å; L184-N186 VanDerWaalsContact C-N 3.32Å; L184-N186 PolarHBondContact O-N 3.33Å; N186-K188 VanDerWaalsContact C-N 3.32Å; N186-K188 PolarHBondContact O-N 3.47Å; N186-Y189 PolarHBondContact O-N 2.7Å; N186-R190 PolarHBondContact O-N 3.13Å; N186-R190 VanDerWaalsContact O-N 3.16Å; N186-S1052 VanDerWaalsContact ND2-CB 3.35Å; N186-S1052 WeakPolarHBondContact ND2-CB 3.47Å; N186-S1052 PolarHBondContact ND2-OG 3.01Å; N186-S1052 VanDerWaalsContact ND2-OG 3.14Å; N186-Y1054 HydrophobicContact CB-CG 4.4Å; N186-L1055 HydrophobicContact CB-CD2 4.24Å
187	Q	84.8	Confident	89.1	Confident	39 Å²	39	40.4 Å²	40.4	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-45.2	175	-177.2	175.4	23.3	0	0	111.1	A183 L184 R190 E191	A183-Q187 PolarHBondContact O-N 2.96Å; L184-Q187 PolarHBondContact O-N 3.32Å; Q187-R190 PolarHBondContact O-N 3.46Å; Q187-E191 WeakPolarHBondContact O-CB 3.42Å; Q187-E191 PolarHBondContact O-N 3.01Å
188	K	89.1	Confident	88.9	Confident	10 Å²	10	43.2 Å²	43.2	4%	0.043	22%	0.219	C	C	.	.	H	α-helix	trans	-72.6	-35.5	-177.8	-71.3	-71.8	173.3	-159.9	0	113.2	Y177 L184 S185 N186 E191 L192 V216	Y177-K188 HydrophobicContact CD1-CB 4.3Å; Y177-K188 HydrophobicContact CE1-CB 3.83Å; Y177-K188 HydrophobicContact CE1-CD 3.99Å; Y177-K188 HydrophobicContact CE1-CG 3.66Å; Y177-K188 VanDerWaalsContact OH-CD 3.31Å; Y177-K188 WeakPolarHBondContact OH-CD 3.31Å; Y177-K188 WeakPolarHBondContact OH-CE 3.31Å; L184-K188 HydrophobicContact CD1-CD 4.4Å; L184-K188 HydrophobicContact CD1-CG 3.66Å; L184-K188 HydrophobicContact CG-CG 4.2Å; L184-K188 VanDerWaalsContact O-CB 3.31Å; L184-K188 WeakPolarHBondContact O-CB 3.41Å; L184-K188 VanDerWaalsContact O-CG 3.26Å; L184-K188 WeakPolarHBondContact O-CG 3.44Å; L184-K188 PolarHBondContact O-N 2.98Å; S185-K188 PolarHBondContact O-N 2.88Å; N186-K188 VanDerWaalsContact C-N 3.32Å; N186-K188 PolarHBondContact O-N 3.47Å; K188-E191 WeakPolarHBondContact CD-OE2 3.42Å; K188-E191 WeakPolarHBondContact CE-OE2 3.33Å; K188-E191 IonicContact NZ-OE1 2.74Å; K188-E191 IonicContact NZ-OE2 2.69Å; K188-E191 PolarHBondContact NZ-OE2 3.49Å; K188-E191 PolarHBondContact O-N 3.15Å; K188-L192 VanDerWaalsContact O-CB 3.24Å; K188-L192 WeakPolarHBondContact O-CB 3.39Å; K188-L192 WeakPolarHBondContact O-CD1 3.39Å; K188-L192 WeakPolarHBondContact O-CG 3.41Å; K188-L192 PolarHBondContact O-N 3.2Å; K188-V216 HydrophobicContact CB-CG1 4.34Å
189	Y	92.3	Very high	88.9	Confident	42 Å²	42	43.5 Å²	43.5	17%	0.165	22%	0.22	C	C	.	.	H	α-helix	trans	-55.5	-52.1	169.7	169.7	-104.8	0	0	0	110.8	S185 N186 L192 C193 V199 L201 L1055	S185-Y189 VanDerWaalsContact O-CB 3.31Å; S185-Y189 WeakPolarHBondContact O-CB 3.26Å; S185-Y189 PolarHBondContact O-N 3.2Å; N186-Y189 PolarHBondContact O-N 2.7Å; Y189-L192 PolarHBondContact O-N 2.91Å; Y189-C193 VanDerWaalsContact CE2-SG 3.53Å; Y189-C193 WeakPolarHBondContact O-CB 3.31Å; Y189-C193 PolarHBondContact O-N 3.13Å; Y189-C193 PolarHBondContact O-SG 3.33Å; Y189-V199 HydrophobicContact CD2-CG1 3.83Å; Y189-V199 HydrophobicContact CE2-CB 4.46Å; Y189-V199 HydrophobicContact CE2-CG1 4.19Å; Y189-L201 HydrophobicContact CD1-CD2 4.27Å; Y189-L201 HydrophobicContact CD2-CB 3.66Å; Y189-L201 HydrophobicContact CE2-CB 4.04Å; Y189-L201 HydrophobicContact CG-CB 3.94Å; Y189-L201 HydrophobicContact CG-CD2 4.19Å; Y189-L201 HydrophobicContact CG-CG 4.47Å; Y189-L1055 HydrophobicContact CD1-CD2 3.9Å; Y189-L1055 HydrophobicContact CE1-CD2 4.22Å
190	R	88.3	Confident	89.1	Confident	124 Å²	124	43.5 Å²	43.5	47%	0.468	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-47	177.9	-175.7	170.6	174.7	160.9	-2.2	112.9	N186 Q187 L192 C193 E194	N186-R190 PolarHBondContact O-N 3.13Å; N186-R190 VanDerWaalsContact O-N 3.16Å; Q187-R190 PolarHBondContact O-N 3.46Å; R190-L192 PolarHBondContact O-N 3.49Å; R190-C193 PolarHBondContact O-N 3.01Å; R190-E194 PolarHBondContact O-N 3.42Å
191	E	89.7	Confident	89.5	Confident	40 Å²	40	43.5 Å²	43.5	19%	0.187	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-34.7	177.3	-166.4	-176.8	171.6	0	0	112.1	F162 Q187 K188 H195	F162-E191 HydrophobicContact CZ-CG 3.95Å; F162-E191 WeakPolarHBondContact CZ-OE1 3.23Å; Q187-E191 WeakPolarHBondContact O-CB 3.42Å; Q187-E191 PolarHBondContact O-N 3.01Å; K188-E191 WeakPolarHBondContact CD-OE2 3.42Å; K188-E191 WeakPolarHBondContact CE-OE2 3.33Å; K188-E191 IonicContact NZ-OE1 2.74Å; K188-E191 IonicContact NZ-OE2 2.69Å; K188-E191 PolarHBondContact NZ-OE2 3.49Å; K188-E191 PolarHBondContact O-N 3.15Å; E191-H195 PolarHBondContact O-ND1 3.23Å
192	L	93.1	Very high	89.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-79.4	-37.4	177.3	-72	169.6	0	0	0	112.9	F162 I165 Y177 K188 Y189 R190 E194 H195 F196 V199 V216	F162-L192 HydrophobicContact CD1-CD2 3.6Å; F162-L192 HydrophobicContact CE1-CD2 3.51Å; F162-L192 HydrophobicContact CE1-CG 4.36Å; I165-L192 HydrophobicContact CD1-CD1 3.98Å; I165-L192 HydrophobicContact CD1-CD2 3.45Å; I165-L192 VanDerWaalsContact CD1-CD2 3.45Å; I165-L192 HydrophobicContact CD1-CG 4.39Å; Y177-L192 HydrophobicContact CD2-CD1 4.41Å; Y177-L192 HydrophobicContact CG-CD1 4.26Å; K188-L192 VanDerWaalsContact O-CB 3.24Å; K188-L192 WeakPolarHBondContact O-CB 3.39Å; K188-L192 WeakPolarHBondContact O-CD1 3.39Å; K188-L192 WeakPolarHBondContact O-CG 3.41Å; K188-L192 PolarHBondContact O-N 3.2Å; Y189-L192 PolarHBondContact O-N 2.91Å; R190-L192 PolarHBondContact O-N 3.49Å; L192-E194 PolarHBondContact O-N 3.37Å; L192-H195 CarbonylContact O-C 3.54Å; L192-H195 PolarHBondContact O-N 2.97Å; L192-F196 HydrophobicContact CB-CD2 4.48Å; L192-F196 HydrophobicContact CD2-CD2 3.78Å; L192-F196 HydrophobicContact CD2-CE2 3.72Å; L192-F196 PolarHBondContact O-N 3.45Å; L192-V199 HydrophobicContact CB-CG1 4.12Å; L192-V199 HydrophobicContact CB-CG2 4.2Å; L192-V216 HydrophobicContact CD1-CG2 3.56Å
193	C	93.4	Very high	90.2	Very high	54 Å²	54	39.4 Å²	39.4	37%	0.365	20%	0.202	S	C	.	.	H	α-helix	trans	-60.6	-25.8	173.1	-71	0	0	0	0	113.2	Y189 R190 H195	Y189-C193 VanDerWaalsContact CE2-SG 3.53Å; Y189-C193 WeakPolarHBondContact O-CB 3.31Å; Y189-C193 PolarHBondContact O-N 3.13Å; Y189-C193 PolarHBondContact O-SG 3.33Å; R190-C193 PolarHBondContact O-N 3.01Å; C193-H195 VanDerWaalsContact C-N 3.32Å
194	E	90.6	Very high	90.2	Very high	138 Å²	138	39.8 Å²	39.8	65%	0.645	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-22.3	173.6	-71.3	172.1	-168.2	0	0	112.9	R190 L192	R190-E194 PolarHBondContact O-N 3.42Å; L192-E194 PolarHBondContact O-N 3.37Å
195	H	90.7	Very high	89.9	Confident	89 Å²	89	42.8 Å²	42.8	41%	0.412	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-26	-176.4	-67	83.5	0	0	0	113.9	M124 E191 L192 C193	M124-H195 HydrophobicContact CE-CB 4.43Å; E191-H195 PolarHBondContact O-ND1 3.23Å; L192-H195 CarbonylContact O-C 3.54Å; L192-H195 PolarHBondContact O-N 2.97Å; C193-H195 VanDerWaalsContact C-N 3.32Å
196	F	94.1	Very high	89.6	Confident	19 Å²	19	45.1 Å²	45.1	8%	0.083	24%	0.238	C	C	.	.			trans	-134.3	137.1	-173.6	-56.6	-73.5	0	0	0	110.7	M124 F162 I165 A166 L169 L192 V199	M124-F196 HydrophobicContact CE-CZ 4.33Å; M124-F196 HydrophobicContact SD-CZ 4.17Å; F162-F196 HydrophobicContact CB-CZ 4.4Å; F162-F196 HydrophobicContact CD1-CE2 4.33Å; F162-F196 WeakPolarHBondContact O-CZ 3.45Å; I165-F196 HydrophobicContact CB-CE2 4.12Å; I165-F196 HydrophobicContact CB-CZ 4.03Å; I165-F196 HydrophobicContact CD1-CE2 4.48Å; I165-F196 HydrophobicContact CG2-CD1 4Å; I165-F196 HydrophobicContact CG2-CD2 3.8Å; I165-F196 HydrophobicContact CG2-CE1 3.87Å; I165-F196 HydrophobicContact CG2-CE2 3.66Å; I165-F196 HydrophobicContact CG2-CG 3.97Å; I165-F196 HydrophobicContact CG2-CZ 3.7Å; A166-F196 HydrophobicContact CB-CE1 3.92Å; A166-F196 HydrophobicContact CB-CZ 4.28Å; L169-F196 HydrophobicContact CD1-CB 4.43Å; L169-F196 HydrophobicContact CD1-CD1 3.7Å; L169-F196 HydrophobicContact CD1-CE1 4.33Å; L169-F196 HydrophobicContact CD1-CG 4.25Å; L192-F196 HydrophobicContact CB-CD2 4.48Å; L192-F196 HydrophobicContact CD2-CD2 3.78Å; L192-F196 HydrophobicContact CD2-CE2 3.72Å; L192-F196 PolarHBondContact O-N 3.45Å; F196-V199 HydrophobicContact CB-CG2 3.87Å
197	P	88.5	Confident	89.8	Confident	137 Å²	137	48.7 Å²	48.7	89%	0.89	26%	0.261	S	S	*	.	S	Bend	trans	-79.8	-25.2	-172.6	31.1	-36.2	0	0	0	114.5
198	D	93.1	Very high	90.2	Very high	59 Å²	59	49.6 Å²	49.6	32%	0.316	27%	0.266	S	S	.	.	S	Bend	trans	-119.1	87.2	-176.3	-175.9	35.8	0	0	0	111.1	N209 A212 A213 C214	D198-N209 PolarHBondContact OD1-ND2 3Å; D198-A212 WeakPolarHBondContact OD1-CA 3.43Å; D198-A212 WeakPolarHBondContact OD1-CB 3.43Å; D198-A212 WeakPolarHBondContact OD2-CA 3.47Å; D198-A213 WeakPolarHBondContact OD2-CB 3.36Å; D198-A213 PolarHBondContact OD2-N 3.43Å; D198-C214 WeakPolarHBondContact O-CB 3.34Å; D198-C214 PolarHBondContact O-N 3.28Å
199	V	96.3	Very high	90.4	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.1	179.7	-171.7	0	0	0	0	109.3	Y189 L192 F196 N209 C214 V216	Y189-V199 HydrophobicContact CD2-CG1 3.83Å; Y189-V199 HydrophobicContact CE2-CB 4.46Å; Y189-V199 HydrophobicContact CE2-CG1 4.19Å; L192-V199 HydrophobicContact CB-CG1 4.12Å; L192-V199 HydrophobicContact CB-CG2 4.2Å; F196-V199 HydrophobicContact CB-CG2 3.87Å; V199-N209 PolarHBondContact O-ND2 2.89Å; V199-C214 CarbonylContact C-O 3.59Å; V199-C214 VanDerWaalsContact CA-O 3.29Å; V199-C214 WeakPolarHBondContact CA-O 3.19Å; V199-C214 HydrophobicContact CG2-CB 4.3Å; V199-V216 HydrophobicContact CG1-CG2 3.9Å
200	G	96.1	Very high	90.4	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	162.2	172.8	0	0	0	0	0	112.1	I208 N209 A212 C214 V216	G200-I208 CarbonylContact C-O 3.59Å; G200-I208 VanDerWaalsContact CA-O 3.27Å; G200-I208 WeakPolarHBondContact CA-O 3.5Å; G200-N209 WeakPolarHBondContact CA-O 3.42Å; G200-A212 VanDerWaalsContact N-CB 3.3Å; G200-C214 PolarHBondContact N-O 3.02Å; G200-V216 WeakPolarHBondContact O-CB 3.46Å; G200-V216 PolarHBondContact O-N 3.33Å
201	L	95.3	Very high	90.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.8	176	179.1	62.2	0	0	0	110	Y189 T203 T207 I208 V216 L1055	Y189-L201 HydrophobicContact CD1-CD2 4.27Å; Y189-L201 HydrophobicContact CD2-CB 3.66Å; Y189-L201 HydrophobicContact CE2-CB 4.04Å; Y189-L201 HydrophobicContact CG-CB 3.94Å; Y189-L201 HydrophobicContact CG-CD2 4.19Å; Y189-L201 HydrophobicContact CG-CG 4.47Å; L201-T203 HydrophobicContact CD1-CG2 3.66Å; L201-T203 HydrophobicContact CG-CG2 4.07Å; L201-T207 CarbonylContact O-C 3.53Å; L201-T207 VanDerWaalsContact O-CA 3.31Å; L201-T207 WeakPolarHBondContact O-CA 3.44Å; L201-I208 HydrophobicContact CB-CB 4.33Å; L201-I208 HydrophobicContact CD2-CD1 4.46Å; L201-I208 PolarHBondContact N-O 3.49Å; L201-I208 PolarHBondContact O-N 3.18Å; L201-V216 CarbonylContact C-O 3.52Å; L201-V216 WeakPolarHBondContact CA-O 3.22Å; L201-V216 HydrophobicContact CD1-CB 4.18Å; L201-V216 HydrophobicContact CD1-CG1 4.07Å; L201-L1055 HydrophobicContact CD2-CD1 4.38Å; L201-L1055 HydrophobicContact CD2-CD2 3.52Å
202	L	93.5	Very high	90.8	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.099	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	97.3	-179.2	-81	159.7	0	0	0	109.3	T207 P210 L215 V216 M217 T218 I221 M225	L202-T207 HydrophobicContact CD2-CG2 3.66Å; L202-P210 HydrophobicContact CD2-CB 4.28Å; L202-L215 HydrophobicContact CD1-CB 4.48Å; L202-L215 HydrophobicContact CD1-CD1 4.09Å; L202-L215 HydrophobicContact CD1-CD2 4Å; L202-L215 HydrophobicContact CD1-CG 4.43Å; L202-V216 PolarHBondContact N-O 3.33Å; L202-M217 HydrophobicContact CB-CB 3.89Å; L202-M217 HydrophobicContact CB-CE 4.5Å; L202-M217 HydrophobicContact CD1-CE 3.83Å; L202-M217 WeakPolarHBondContact O-CA 3.44Å; L202-M217 WeakPolarHBondContact O-CB 3.46Å; L202-T218 PolarHBondContact O-N 2.81Å; L202-I221 HydrophobicContact CB-CG2 4.17Å; L202-M225 HydrophobicContact CD1-SD 4.46Å
203	T	88.5	Confident	90.9	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.037	30%	0.298	C	S	.	.			trans	-126.3	163	175.3	68	0	0	0	0	109.8	L201 D205 V206 T218	L201-T203 HydrophobicContact CD1-CG2 3.66Å; L201-T203 HydrophobicContact CG-CG2 4.07Å; T203-D205 PolarHBondContact O-N 3.03Å; T203-D205 PolarHBondContact OG1-N 2.94Å; T203-V206 PolarHBondContact N-O 3.18Å; T203-V206 PolarHBondContact O-N 3.18Å; T203-V206 VanDerWaalsContact O-O 3.09Å; T203-V206 PolarHBondContact OG1-N 3.42Å; T203-V206 PolarHBondContact OG1-O 3.25Å; T203-T218 HydrophobicContact CG2-CG2 4.4Å
204	G	78.5	Confident	91.1	Very high	33 Å²	33	47.8 Å²	47.8	34%	0.34	28%	0.281	S	S	.	.	S	Bend	trans	-60.8	-21.3	174.1	0	0	0	0	0	114.6
205	D	76.3	Confident	91.4	Very high	71 Å²	71	41.2 Å²	41.2	38%	0.38	25%	0.25	S	S	.	.	S	Bend	trans	-92.8	-32.8	178.9	-67.8	27.9	0	0	0	112.1	K182 T203 R1011	K182-D205 VanDerWaalsContact CD-OD1 3.29Å; K182-D205 WeakPolarHBondContact CD-OD1 3.38Å; K182-D205 WeakPolarHBondContact CE-OD1 3.44Å; K182-D205 IonicContact NZ-OD1 2.66Å; K182-D205 PolarHBondContact NZ-OD1 3.29Å; T203-D205 PolarHBondContact O-N 3.03Å; T203-D205 PolarHBondContact OG1-N 2.94Å; D205-R1011 IonicContact OD2-CZ 3.67Å; D205-R1011 IonicContact OD2-NH1 2.8Å; D205-R1011 PolarHBondContact OD2-NH1 3.01Å
206	V	83	Confident	91.7	Very high	48 Å²	48	37 Å²	37	29%	0.291	23%	0.23	S	C	.	.			trans	-148	133.7	-166	176.8	0	0	0	0	111.3	T203 I208 L1055	T203-V206 PolarHBondContact N-O 3.18Å; T203-V206 PolarHBondContact O-N 3.18Å; T203-V206 VanDerWaalsContact O-O 3.09Å; T203-V206 PolarHBondContact OG1-N 3.42Å; T203-V206 PolarHBondContact OG1-O 3.25Å; V206-I208 HydrophobicContact CG1-CD1 3.69Å; V206-I208 HydrophobicContact CG1-CG1 3.72Å; V206-L1055 HydrophobicContact CB-CD1 4.38Å; V206-L1055 HydrophobicContact CG1-CD1 4.11Å; V206-L1055 HydrophobicContact CG2-CD1 4Å
207	T	90.1	Very high	91.8	Very high	89 Å²	89	36.1 Å²	36.1	55%	0.546	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.1	169.5	-66.5	0	0	0	0	110.4	L201 L202 P210	L201-T207 CarbonylContact O-C 3.53Å; L201-T207 VanDerWaalsContact O-CA 3.31Å; L201-T207 WeakPolarHBondContact O-CA 3.44Å; L202-T207 HydrophobicContact CD2-CG2 3.66Å; T207-P210 HydrophobicContact CG2-CB 4.11Å; T207-P210 HydrophobicContact CG2-CG 4.15Å
208	I	93	Very high	92.1	Very high	57 Å²	57	29.8 Å²	29.8	29%	0.292	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.4	178.7	-62.2	164.7	0	0	0	108.4	G200 L201 V206 L1055	G200-I208 CarbonylContact C-O 3.59Å; G200-I208 VanDerWaalsContact CA-O 3.27Å; G200-I208 WeakPolarHBondContact CA-O 3.5Å; L201-I208 HydrophobicContact CB-CB 4.33Å; L201-I208 HydrophobicContact CD2-CD1 4.46Å; L201-I208 PolarHBondContact N-O 3.49Å; L201-I208 PolarHBondContact O-N 3.18Å; V206-I208 HydrophobicContact CG1-CD1 3.69Å; V206-I208 HydrophobicContact CG1-CG1 3.72Å; I208-L1055 HydrophobicContact CD1-CD2 4.38Å
209	N	93.6	Very high	92.1	Very high	58 Å²	58	27 Å²	27	31%	0.31	17%	0.17	S	C	.	.			trans	40.8	60.3	179.2	-169.6	16.7	0	0	0	114.2	D198 V199 G200 S211 A212	D198-N209 PolarHBondContact OD1-ND2 3Å; V199-N209 PolarHBondContact O-ND2 2.89Å; G200-N209 WeakPolarHBondContact CA-O 3.42Å; N209-S211 PolarHBondContact O-N 2.92Å; N209-S211 VanDerWaalsContact O-N 3.09Å; N209-S211 PolarHBondContact OD1-OG 3.45Å; N209-A212 WeakPolarHBondContact ND2-CB 3.42Å; N209-A212 WeakPolarHBondContact O-CB 3.49Å; N209-A212 PolarHBondContact O-N 2.99Å; N209-A212 PolarHBondContact OD1-N 2.86Å
210	P	92.5	Very high	91.8	Very high	66 Å²	66	28.8 Å²	28.8	43%	0.429	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.8	179.7	29.9	-37	0	0	0	113.2	L202 T207 A212	L202-P210 HydrophobicContact CD2-CB 4.28Å; T207-P210 HydrophobicContact CG2-CB 4.11Å; T207-P210 HydrophobicContact CG2-CG 4.15Å; P210-A212 VanDerWaalsContact C-N 3.34Å
211	S	92.2	Very high	91.6	Very high	84 Å²	84	30.7 Å²	30.7	59%	0.587	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.3	174.1	37.6	0	0	0	0	114.4	R174 N209	R174-S211 PolarHBondContact NH1-O 2.92Å; N209-S211 PolarHBondContact O-N 2.92Å; N209-S211 VanDerWaalsContact O-N 3.09Å; N209-S211 PolarHBondContact OD1-OG 3.45Å
212	A	95	Very high	91.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.188	C	C	.	.			trans	-59.4	152.8	-174.9	0	0	0	0	0	114.2	R174 D198 G200 N209 P210 L215	R174-A212 PolarHBondContact NH1-O 2.81Å; D198-A212 WeakPolarHBondContact OD1-CA 3.43Å; D198-A212 WeakPolarHBondContact OD1-CB 3.43Å; D198-A212 WeakPolarHBondContact OD2-CA 3.47Å; G200-A212 VanDerWaalsContact N-CB 3.3Å; N209-A212 WeakPolarHBondContact ND2-CB 3.42Å; N209-A212 WeakPolarHBondContact O-CB 3.49Å; N209-A212 PolarHBondContact O-N 2.99Å; N209-A212 PolarHBondContact OD1-N 2.86Å; P210-A212 VanDerWaalsContact C-N 3.34Å; A212-L215 HydrophobicContact CB-CD2 3.91Å
213	A	94.9	Very high	91.6	Very high	24 Å²	24	31.2 Å²	31.2	20%	0.198	19%	0.189	C	C	.	.	S	Bend	trans	-70.7	-35.9	170.7	0	0	0	0	0	112.4	L169 R174 V175 D198	L169-A213 HydrophobicContact CD2-CB 3.42Å; L169-A213 VanDerWaalsContact CD2-CB 3.42Å; R174-A213 CarbonylContact C-O 3.56Å; R174-A213 VanDerWaalsContact CA-O 3.25Å; R174-A213 WeakPolarHBondContact CA-O 3.18Å; R174-A213 WeakPolarHBondContact CB-O 3.18Å; V175-A213 PolarHBondContact N-O 3.08Å; D198-A213 WeakPolarHBondContact OD2-CB 3.36Å; D198-A213 PolarHBondContact OD2-N 3.43Å
214	C	97.2	Very high	91.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111.4	172.4	178.9	0	0	0	0	110.9	I165 V175 D198 V199 G200	I165-C214 HydrophobicContact CG2-CB 4.33Å; V175-C214 HydrophobicContact CG1-CB 3.88Å; V175-C214 WeakPolarHBondContact O-CA 3.38Å; D198-C214 WeakPolarHBondContact O-CB 3.34Å; D198-C214 PolarHBondContact O-N 3.28Å; V199-C214 CarbonylContact C-O 3.59Å; V199-C214 VanDerWaalsContact CA-O 3.29Å; V199-C214 WeakPolarHBondContact CA-O 3.19Å; V199-C214 HydrophobicContact CG2-CB 4.3Å; G200-C214 PolarHBondContact N-O 3.02Å
215	L	97	Very high	92.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.7	-178.8	-65.9	173.9	0	0	0	111.7	V175 V176 Y177 L202 A212 M217 V232	V175-L215 PolarHBondContact O-N 3.14Å; V176-L215 CarbonylContact C-O 3.58Å; V176-L215 WeakPolarHBondContact CA-O 3.44Å; Y177-L215 PolarHBondContact N-O 3.32Å; L202-L215 HydrophobicContact CD1-CB 4.48Å; L202-L215 HydrophobicContact CD1-CD1 4.09Å; L202-L215 HydrophobicContact CD1-CD2 4Å; L202-L215 HydrophobicContact CD1-CG 4.43Å; A212-L215 HydrophobicContact CB-CD2 3.91Å; L215-M217 HydrophobicContact CB-CE 3.79Å; L215-M217 HydrophobicContact CD1-CE 4.28Å; L215-V232 HydrophobicContact CD1-CG1 3.62Å
216	V	96.9	Very high	92.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.5	170.4	-175.5	0	0	0	0	109.2	Y177 S185 K188 L192 V199 G200 L201 L202	Y177-V216 HydrophobicContact CD1-CG1 4.22Å; Y177-V216 CarbonylContact O-C 3.51Å; Y177-V216 WeakPolarHBondContact O-CA 3.47Å; S185-V216 WeakPolarHBondContact O-CG1 3.27Å; K188-V216 HydrophobicContact CB-CG1 4.34Å; L192-V216 HydrophobicContact CD1-CG2 3.56Å; V199-V216 HydrophobicContact CG1-CG2 3.9Å; G200-V216 WeakPolarHBondContact O-CB 3.46Å; G200-V216 PolarHBondContact O-N 3.33Å; L201-V216 CarbonylContact C-O 3.52Å; L201-V216 WeakPolarHBondContact CA-O 3.22Å; L201-V216 HydrophobicContact CD1-CB 4.18Å; L201-V216 HydrophobicContact CD1-CG1 4.07Å; L202-V216 PolarHBondContact N-O 3.33Å
217	M	96	Very high	93.2	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	170.3	-179.7	63.6	-176.3	68.2	0	0	113.9	V176 Y177 T178 S179 L202 L215 L222 M225	V176-M217 HydrophobicContact CG1-CE 3.76Å; V176-M217 HydrophobicContact CG1-CG 3.79Å; V176-M217 HydrophobicContact CG1-SD 3.63Å; V176-M217 HydrophobicContact CG2-CE 4.16Å; Y177-M217 PolarHBondContact O-N 3.42Å; T178-M217 WeakPolarHBondContact CA-O 3.47Å; T178-M217 HydrophobicContact CG2-CG 4.15Å; S179-M217 PolarHBondContact N-O 2.9Å; S179-M217 PolarHBondContact OG-O 2.82Å; L202-M217 HydrophobicContact CB-CB 3.89Å; L202-M217 HydrophobicContact CB-CE 4.5Å; L202-M217 HydrophobicContact CD1-CE 3.83Å; L202-M217 WeakPolarHBondContact O-CA 3.44Å; L202-M217 WeakPolarHBondContact O-CB 3.46Å; L215-M217 HydrophobicContact CB-CE 3.79Å; L215-M217 HydrophobicContact CD1-CE 4.28Å; M217-L222 HydrophobicContact CG-CB 4.49Å; M217-L222 HydrophobicContact SD-CB 3.74Å; M217-L222 HydrophobicContact SD-CD1 4.19Å; M217-M225 HydrophobicContact CE-SD 4.14Å; M217-M225 HydrophobicContact SD-SD 4.37Å
218	T	94.1	Very high	92.9	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	152.8	164.8	64.4	0	0	0	0	110.9	S179 K182 S185 L202 T203 E220 I221 L222	S179-T218 WeakPolarHBondContact O-CA 3.06Å; K182-T218 HydrophobicContact CG-CG2 4.03Å; S185-T218 WeakPolarHBondContact OG-CG2 3.29Å; L202-T218 PolarHBondContact O-N 2.81Å; T203-T218 HydrophobicContact CG2-CG2 4.4Å; T218-E220 PolarHBondContact O-N 3.11Å; T218-I221 PolarHBondContact O-N 2.86Å; T218-L222 PolarHBondContact O-N 3.36Å
219	T	94	Very high	92.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-32.1	179.8	-41.1	0	0	0	0	112.3	I221 L222 R223 V255 W256 A259	T219-I221 VanDerWaalsContact C-N 3.34Å; T219-I221 PolarHBondContact O-N 2.83Å; T219-L222 PolarHBondContact O-N 3.1Å; T219-R223 WeakPolarHBondContact O-CB 3.34Å; T219-R223 PolarHBondContact O-N 2.89Å; T219-V255 HydrophobicContact CG2-CG1 4.21Å; T219-W256 HydrophobicContact CG2-CD2 3.87Å; T219-W256 HydrophobicContact CG2-CE3 4.12Å; T219-W256 HydrophobicContact CG2-CG 4.13Å; T219-W256 WeakPolarHBondContact OG1-CH2 3.33Å; T219-W256 WeakPolarHBondContact OG1-CZ2 3.27Å; T219-A259 HydrophobicContact CG2-CB 4.02Å
220	E	91	Very high	92.1	Very high	44 Å²	44	28.1 Å²	28.1	21%	0.206	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-38.2	172.4	-70	78.1	-175.1	0	0	113.4	T218 S224 R252 V255	T218-E220 PolarHBondContact O-N 3.11Å; E220-S224 PolarHBondContact O-N 2.96Å; E220-R252 IonicContact OE1-CZ 2.8Å; E220-R252 IonicContact OE1-NE 2.69Å; E220-R252 PolarHBondContact OE1-NE 2.68Å; E220-R252 IonicContact OE1-NH2 2.74Å; E220-R252 PolarHBondContact OE1-NH2 3.3Å; E220-R252 IonicContact OE2-NH2 2.83Å; E220-R252 PolarHBondContact OE2-NH2 3.05Å; E220-V255 HydrophobicContact CB-CG1 4.44Å; E220-V255 HydrophobicContact CG-CG1 3.95Å; E220-V255 HydrophobicContact CG-CG2 4.49Å
221	I	91.9	Very high	91.8	Very high	40 Å²	40	31.4 Å²	31.4	21%	0.205	19%	0.185	C	C	.	.	H	α-helix	trans	-72.9	-43.1	178.6	-63.2	-63	0	0	0	110.2	L202 T218 T219 R223 S224 M225	L202-I221 HydrophobicContact CB-CG2 4.17Å; T218-I221 PolarHBondContact O-N 2.86Å; T219-I221 VanDerWaalsContact C-N 3.34Å; T219-I221 PolarHBondContact O-N 2.83Å; I221-R223 VanDerWaalsContact C-N 3.33Å; I221-R223 PolarHBondContact O-N 3.48Å; I221-S224 PolarHBondContact O-N 2.85Å; I221-S224 VanDerWaalsContact O-N 3.13Å; I221-M225 HydrophobicContact CG2-CG 4.41Å; I221-M225 HydrophobicContact CG2-SD 4.21Å; I221-M225 WeakPolarHBondContact O-CG 3.38Å; I221-M225 PolarHBondContact O-N 3.46Å
222	L	94.8	Very high	91.5	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55.6	-49.4	173	178.6	59.5	0	0	0	111	T178 M217 T218 T219 S224 M225 L226 M233 V239 F241	T178-L222 HydrophobicContact CG2-CB 4.23Å; T178-L222 HydrophobicContact CG2-CD2 3.59Å; M217-L222 HydrophobicContact CG-CB 4.49Å; M217-L222 HydrophobicContact SD-CB 3.74Å; M217-L222 HydrophobicContact SD-CD1 4.19Å; T218-L222 PolarHBondContact O-N 3.36Å; T219-L222 PolarHBondContact O-N 3.1Å; L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 2.83Å; L222-M225 PolarHBondContact O-N 3.44Å; L222-L226 HydrophobicContact CD1-CD1 4.2Å; L222-L226 HydrophobicContact CD1-CG 4.35Å; L222-L226 HydrophobicContact CG-CD1 3.99Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 2.87Å; L222-M233 HydrophobicContact CD1-CE 4.1Å; L222-M233 HydrophobicContact CD1-SD 3.69Å; L222-V239 HydrophobicContact CD2-CG1 4.06Å; L222-F241 HydrophobicContact CD2-CE1 4.23Å; L222-F241 HydrophobicContact CD2-CZ 4.27Å
223	R	92.5	Very high	91.2	Very high	31 Å²	31	29.9 Å²	29.9	12%	0.117	17%	0.171	C	C	.	.	H	α-helix	trans	-55.4	-45.2	175.4	-178	-167.7	65.7	151.8	1.7	112	T219 I221 L226 Y227 V255 E258 A259	T219-R223 WeakPolarHBondContact O-CB 3.34Å; T219-R223 PolarHBondContact O-N 2.89Å; I221-R223 VanDerWaalsContact C-N 3.33Å; I221-R223 PolarHBondContact O-N 3.48Å; R223-L226 PolarHBondContact O-N 2.84Å; R223-Y227 HydrophobicContact CG-CD2 3.89Å; R223-Y227 HydrophobicContact CG-CE2 3.6Å; R223-Y227 WeakPolarHBondContact O-CD2 3.44Å; R223-Y227 PolarHBondContact O-N 3.43Å; R223-V255 HydrophobicContact CB-CG1 4.32Å; R223-E258 VanDerWaalsContact CD-OE2 3.27Å; R223-E258 WeakPolarHBondContact CD-OE2 3.39Å; R223-E258 HydrophobicContact CG-CB 4.39Å; R223-E258 IonicContact NH1-OE2 3.43Å; R223-A259 HydrophobicContact CB-CB 4.33Å
224	S	89.1	Confident	90.8	Very high	49 Å²	49	37.8 Å²	37.8	34%	0.343	20%	0.196	S	C	.	.	H	α-helix	trans	-63.2	-43.7	177.6	-172.5	0	0	0	0	111.9	E220 I221 L222 L226 Y227 H228	E220-S224 PolarHBondContact O-N 2.96Å; I221-S224 PolarHBondContact O-N 2.85Å; I221-S224 VanDerWaalsContact O-N 3.13Å; L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 2.83Å; S224-L226 VanDerWaalsContact C-N 3.27Å; S224-L226 PolarHBondContact O-N 3.05Å; S224-Y227 PolarHBondContact O-N 2.97Å; S224-H228 PolarHBondContact O-N 3.16Å; S224-H228 VanDerWaalsContact O-N 3.12Å; S224-H228 PolarHBondContact O-ND1 2.76Å; S224-H228 PolarHBondContact OG-ND1 2.77Å
225	M	90.5	Very high	90.6	Very high	28 Å²	28	42.9 Å²	42.9	14%	0.138	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-35.8	176.4	-69.9	-178.8	74.3	0	0	112.3	L202 M217 I221 L222 H228 G229 A230 V232	L202-M225 HydrophobicContact CD1-SD 4.46Å; M217-M225 HydrophobicContact CE-SD 4.14Å; M217-M225 HydrophobicContact SD-SD 4.37Å; I221-M225 HydrophobicContact CG2-CG 4.41Å; I221-M225 HydrophobicContact CG2-SD 4.21Å; I221-M225 WeakPolarHBondContact O-CG 3.38Å; I221-M225 PolarHBondContact O-N 3.46Å; L222-M225 PolarHBondContact O-N 3.44Å; M225-H228 PolarHBondContact O-N 2.84Å; M225-G229 PolarHBondContact O-N 2.84Å; M225-G229 VanDerWaalsContact O-N 3.12Å; M225-A230 HydrophobicContact CB-CB 3.98Å; M225-A230 HydrophobicContact CE-CB 3.94Å; M225-A230 HydrophobicContact CG-CB 4.37Å; M225-A230 PolarHBondContact O-N 2.68Å; M225-V232 HydrophobicContact CE-CB 3.83Å; M225-V232 HydrophobicContact CE-CG1 4.17Å; M225-V232 HydrophobicContact CE-CG2 3.95Å
226	L	91.7	Very high	90.5	Very high	25 Å²	25	43.2 Å²	43.2	13%	0.131	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-47.1	174.9	-68.2	166.1	0	0	0	112	L222 R223 S224 H228 G229 M233 A259 L262 L263	L222-L226 HydrophobicContact CD1-CD1 4.2Å; L222-L226 HydrophobicContact CD1-CG 4.35Å; L222-L226 HydrophobicContact CG-CD1 3.99Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 2.87Å; R223-L226 PolarHBondContact O-N 2.84Å; S224-L226 VanDerWaalsContact C-N 3.27Å; S224-L226 PolarHBondContact O-N 3.05Å; L226-H228 PolarHBondContact O-N 2.9Å; L226-H228 VanDerWaalsContact O-N 3.17Å; L226-G229 PolarHBondContact O-N 3.05Å; L226-G229 VanDerWaalsContact O-N 3.09Å; L226-M233 HydrophobicContact CD2-CE 4.1Å; L226-M233 HydrophobicContact CD2-CG 4.06Å; L226-M233 HydrophobicContact CD2-SD 4.39Å; L226-A259 WeakPolarHBondContact CD1-O 3.49Å; L226-L262 HydrophobicContact CB-CB 4.03Å; L226-L262 HydrophobicContact CB-CD1 4.29Å; L226-L262 HydrophobicContact CD1-CB 3.95Å; L226-L262 HydrophobicContact CG-CB 4.41Å; L226-L263 HydrophobicContact CD1-CD2 4.32Å; L226-L263 HydrophobicContact CD1-CG 4.34Å; L226-L263 HydrophobicContact CD2-CD2 4.25Å
227	Y	88.3	Confident	90.4	Very high	10 Å²	10	43.5 Å²	43.5	4%	0.039	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-17.2	175.1	-77	-49.8	0	0	0	114.8	R223 S224 E258 L262 N584 L585 R587	R223-Y227 HydrophobicContact CG-CD2 3.89Å; R223-Y227 HydrophobicContact CG-CE2 3.6Å; R223-Y227 WeakPolarHBondContact O-CD2 3.44Å; R223-Y227 PolarHBondContact O-N 3.43Å; S224-Y227 PolarHBondContact O-N 2.97Å; Y227-E258 WeakPolarHBondContact CE2-OE2 3.17Å; Y227-E258 PolarHBondContact OH-OE2 3.42Å; Y227-L262 HydrophobicContact CD1-CD1 3.92Å; Y227-L262 HydrophobicContact CE1-CD1 3.61Å; Y227-L262 HydrophobicContact CE2-CD1 4.4Å; Y227-L262 HydrophobicContact CG-CD1 4.44Å; Y227-N584 HydrophobicContact CD1-CB 3.72Å; Y227-N584 HydrophobicContact CD2-CB 4.34Å; Y227-N584 HydrophobicContact CE1-CB 3.81Å; Y227-N584 HydrophobicContact CE2-CB 4.42Å; Y227-N584 HydrophobicContact CG-CB 4.01Å; Y227-L585 HydrophobicContact CE1-CD2 3.96Å; Y227-L585 HydrophobicContact CE1-CG 4.23Å; Y227-R587 PolarHBondContact O-NH2 2.94Å; Y227-R587 VanDerWaalsContact O-NH2 3.09Å
228	H	85.1	Confident	90.5	Very high	102 Å²	102	43.5 Å²	43.5	47%	0.472	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-3	175.8	-68.4	97.2	0	0	0	113.6	S224 M225 L226 A230 R587	S224-H228 PolarHBondContact O-N 3.16Å; S224-H228 VanDerWaalsContact O-N 3.12Å; S224-H228 PolarHBondContact O-ND1 2.76Å; S224-H228 PolarHBondContact OG-ND1 2.77Å; M225-H228 PolarHBondContact O-N 2.84Å; L226-H228 PolarHBondContact O-N 2.9Å; L226-H228 VanDerWaalsContact O-N 3.17Å; H228-A230 VanDerWaalsContact C-N 3.32Å; H228-A230 PolarHBondContact O-N 2.83Å; H228-R587 PolarHBondContact CD2-NH2 3.01Å; H228-R587 PolarHBondContact NE2-NH2 3.37Å
229	G	84.3	Confident	90.7	Very high	56 Å²	56	43.3 Å²	43.3	58%	0.577	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	36.1	-178.9	0	0	0	0	0	113.6	M225 L226 E231	M225-G229 PolarHBondContact O-N 2.84Å; M225-G229 VanDerWaalsContact O-N 3.12Å; L226-G229 PolarHBondContact O-N 3.05Å; L226-G229 VanDerWaalsContact O-N 3.09Å; G229-E231 PolarHBondContact O-N 3.18Å
230	A	84.4	Confident	90.9	Very high	27 Å²	27	43.3 Å²	43.3	22%	0.223	22%	0.224	C	C	.	.			trans	-58.2	130.7	-173.8	0	0	0	0	0	112.3	M225 H228 V232 M233	M225-A230 HydrophobicContact CB-CB 3.98Å; M225-A230 HydrophobicContact CE-CB 3.94Å; M225-A230 HydrophobicContact CG-CB 4.37Å; M225-A230 PolarHBondContact O-N 2.68Å; H228-A230 VanDerWaalsContact C-N 3.32Å; H228-A230 PolarHBondContact O-N 2.83Å; A230-V232 PolarHBondContact O-N 3.2Å; A230-M233 WeakPolarHBondContact O-CB 3.4Å; A230-M233 PolarHBondContact O-N 2.87Å
231	E	86.1	Confident	91.2	Very high	134 Å²	134	41.2 Å²	41.2	63%	0.626	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-59	-28.4	-172.6	-61.3	-158.7	119.9	0	0	114.1	G229 M233 R234	G229-E231 PolarHBondContact O-N 3.18Å; E231-M233 PolarHBondContact O-N 2.91Å; E231-M233 VanDerWaalsContact O-N 3.07Å; E231-R234 WeakPolarHBondContact O-CB 3.49Å; E231-R234 PolarHBondContact O-N 3.43Å; E231-R234 IonicContact OE1-CZ 2.7Å; E231-R234 IonicContact OE1-NH1 2.77Å; E231-R234 PolarHBondContact OE1-NH1 2.79Å; E231-R234 IonicContact OE1-NH2 3.99Å
232	V	86.7	Confident	91.3	Very high	35 Å²	35	40 Å²	40	21%	0.212	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-47.5	-37.9	174.1	-179.4	0	0	0	0	111.8	L215 M225 A230 R234 E235	L215-V232 HydrophobicContact CD1-CG1 3.62Å; M225-V232 HydrophobicContact CE-CB 3.83Å; M225-V232 HydrophobicContact CE-CG1 4.17Å; M225-V232 HydrophobicContact CE-CG2 3.95Å; A230-V232 PolarHBondContact O-N 3.2Å; V232-R234 PolarHBondContact O-N 3.41Å; V232-E235 PolarHBondContact O-N 3.37Å; V232-E235 VanDerWaalsContact O-N 3.17Å
233	M	88	Confident	91.1	Very high	17 Å²	17	40.5 Å²	40.5	8%	0.084	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-66.2	-16	-178.4	-66	-53.8	-47.8	0	0	114.3	L222 L226 A230 E231 E235 V236 L263	L222-M233 HydrophobicContact CD1-CE 4.1Å; L222-M233 HydrophobicContact CD1-SD 3.69Å; L226-M233 HydrophobicContact CD2-CE 4.1Å; L226-M233 HydrophobicContact CD2-CG 4.06Å; L226-M233 HydrophobicContact CD2-SD 4.39Å; A230-M233 WeakPolarHBondContact O-CB 3.4Å; A230-M233 PolarHBondContact O-N 2.87Å; E231-M233 PolarHBondContact O-N 2.91Å; E231-M233 VanDerWaalsContact O-N 3.07Å; M233-E235 VanDerWaalsContact C-N 3.33Å; M233-V236 HydrophobicContact CE-CB 4.36Å; M233-V236 HydrophobicContact CE-CG2 4.28Å; M233-V236 HydrophobicContact SD-CG2 4.39Å; M233-L263 HydrophobicContact CE-CD2 3.52Å
234	R	88.1	Confident	91.2	Very high	190 Å²	190	39 Å²	39	72%	0.717	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-75.5	-21.9	175.7	-61.8	-178.4	-177.8	144.4	5	113.2	E231 V232	E231-R234 WeakPolarHBondContact O-CB 3.49Å; E231-R234 PolarHBondContact O-N 3.43Å; E231-R234 IonicContact OE1-CZ 2.7Å; E231-R234 IonicContact OE1-NH1 2.77Å; E231-R234 PolarHBondContact OE1-NH1 2.79Å; E231-R234 IonicContact OE1-NH2 3.99Å; V232-R234 PolarHBondContact O-N 3.41Å
235	E	91.3	Very high	91.3	Very high	107 Å²	107	36.8 Å²	36.8	50%	0.5	19%	0.189	S	C	.	.	S	Bend	trans	-100.1	-4.5	-176.5	-62	176.6	-175.9	0	0	112.6	R174 V232 M233 G237	R174-E235 HydrophobicContact CB-CB 4.45Å; R174-E235 WeakPolarHBondContact CB-O 3.31Å; R174-E235 HydrophobicContact CG-CB 3.9Å; R174-E235 IonicContact CZ-OE2 2.83Å; R174-E235 PolarHBondContact N-O 3.04Å; R174-E235 IonicContact NE-OE2 2.63Å; R174-E235 PolarHBondContact NE-OE2 3.08Å; R174-E235 IonicContact NH2-OE2 3.62Å; R174-E235 PolarHBondContact NH2-OE2 3.26Å; V232-E235 PolarHBondContact O-N 3.37Å; V232-E235 VanDerWaalsContact O-N 3.17Å; M233-E235 VanDerWaalsContact C-N 3.33Å; E235-G237 PolarHBondContact O-N 3.12Å
236	V	95.4	Very high	91.2	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.1	-177.8	178.2	0	0	0	0	110.4	R174 V176 M233 W238 V239 V267	R174-V236 HydrophobicContact CB-CG2 4.12Å; R174-V236 WeakPolarHBondContact O-CA 3.37Å; V176-V236 HydrophobicContact CG2-CG1 4.13Å; V176-V236 HydrophobicContact CG2-CG2 3.78Å; M233-V236 HydrophobicContact CE-CB 4.36Å; M233-V236 HydrophobicContact CE-CG2 4.28Å; M233-V236 HydrophobicContact SD-CG2 4.39Å; V236-W238 WeakPolarHBondContact CG1-O 3.36Å; V236-V239 HydrophobicContact CG1-CG2 3.79Å; V236-V267 HydrophobicContact CG1-CG1 4.35Å
237	G	95.4	Very high	91.2	Very high	6 Å²	6	35.1 Å²	35.1	6%	0.062	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-36.2	169.9	0	0	0	0	0	112.7	R174 E235 H268	R174-G237 PolarHBondContact O-N 3.36Å; E235-G237 PolarHBondContact O-N 3.12Å; G237-H268 PolarHBondContact O-N 2.8Å
238	W	97.8	Very high	91.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.7	-172.9	-73	87.2	0	0	0	113.1	I141 Y167 V175 V176 V236 H268 V270	I141-W238 HydrophobicContact CB-CH2 4.21Å; I141-W238 HydrophobicContact CB-CZ2 4.48Å; I141-W238 HydrophobicContact CG1-CH2 4.09Å; I141-W238 HydrophobicContact CG1-CZ3 4.23Å; I141-W238 HydrophobicContact CG2-CH2 4.13Å; I141-W238 HydrophobicContact CG2-CZ2 3.98Å; Y167-W238 AromaticContact CD1-NE1 3.85Å; Y167-W238 HydrophobicContact CE1-CZ2 4.4Å; Y167-W238 AromaticContact CE1-NE1 3.98Å; V175-W238 WeakPolarHBondContact CA-O 3.24Å; V175-W238 HydrophobicContact CG2-CB 4.07Å; V176-W238 PolarHBondContact N-O 3.17Å; V236-W238 WeakPolarHBondContact CG1-O 3.36Å; W238-H268 WeakPolarHBondContact CA-O 3.27Å; W238-H268 HydrophobicContact CD2-CB 3.67Å; W238-H268 HydrophobicContact CE3-CB 3.49Å; W238-H268 VanDerWaalsContact CE3-CB 3.49Å; W238-H268 HydrophobicContact CG-CB 4.48Å; W238-H268 HydrophobicContact CH2-CB 3.58Å; W238-H268 HydrophobicContact CZ2-CB 3.74Å; W238-H268 HydrophobicContact CZ3-CB 3.45Å; W238-H268 VanDerWaalsContact CZ3-CB 3.45Å; W238-V270 HydrophobicContact CE3-CG2 3.77Å; W238-V270 HydrophobicContact CZ3-CG2 3.75Å
239	V	98	Very high	91.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.8	169.2	179.6	0	0	0	0	109.8	V176 T178 L222 V236 F241 L263 V267 H268 H269 V270	V176-V239 HydrophobicContact CB-CG2 4.24Å; V176-V239 WeakPolarHBondContact O-CA 3.36Å; T178-V239 HydrophobicContact CG2-CG1 4.3Å; L222-V239 HydrophobicContact CD2-CG1 4.06Å; V236-V239 HydrophobicContact CG1-CG2 3.79Å; V239-F241 HydrophobicContact CB-CE2 4.21Å; V239-F241 HydrophobicContact CG1-CD2 3.92Å; V239-F241 HydrophobicContact CG1-CE1 4.21Å; V239-F241 HydrophobicContact CG1-CE2 3.53Å; V239-F241 HydrophobicContact CG1-CG 4.45Å; V239-F241 HydrophobicContact CG1-CZ 3.7Å; V239-L263 HydrophobicContact CB-CD1 4.23Å; V239-L263 HydrophobicContact CG1-CD1 4.25Å; V239-L263 HydrophobicContact CG2-CD1 4.11Å; V239-L263 HydrophobicContact CG2-CD2 3.97Å; V239-V267 HydrophobicContact CB-CG1 4.25Å; V239-V267 HydrophobicContact CG2-CG1 3.62Å; V239-H268 PolarHBondContact N-O 2.99Å; V239-H269 WeakPolarHBondContact O-CA 3.38Å; V239-V270 PolarHBondContact O-N 3.22Å
240	I	98.1	Very high	91.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.7	178.6	-54	171.5	0	0	0	107.6	A161 A164 I165 V175 V176 Y177 T178 V270	A161-I240 HydrophobicContact CB-CD1 4Å; A161-I240 HydrophobicContact CB-CG2 3.89Å; A164-I240 HydrophobicContact CB-CD1 4.03Å; A164-I240 HydrophobicContact CB-CG1 4.46Å; I165-I240 HydrophobicContact CD1-CD1 4.05Å; I165-I240 HydrophobicContact CG1-CD1 3.66Å; V175-I240 HydrophobicContact CG2-CD1 3.92Å; V175-I240 HydrophobicContact CG2-CG1 4.29Å; V176-I240 PolarHBondContact O-N 3.07Å; Y177-I240 HydrophobicContact CD2-CB 4Å; Y177-I240 HydrophobicContact CD2-CD1 4.09Å; Y177-I240 HydrophobicContact CD2-CG2 3.79Å; Y177-I240 HydrophobicContact CE2-CG2 3.86Å; T178-I240 PolarHBondContact N-O 2.67Å; T178-I240 PolarHBondContact OG1-O 3.11Å; I240-V270 CarbonylContact C-O 3.52Å; I240-V270 WeakPolarHBondContact CA-O 3.44Å; I240-V270 HydrophobicContact CG1-CB 4.21Å; I240-V270 HydrophobicContact CG2-CB 4.35Å; I240-V270 HydrophobicContact CG2-CG1 4.46Å
241	F	97.1	Very high	90.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	92.4	-180	-76	-73	0	0	0	109.6	T178 L222 V239 I244 W256 I260 L263 V270 F271 L272	T178-F241 HydrophobicContact CG2-CE1 4.46Å; T178-F241 WeakPolarHBondContact OG1-CA 3.41Å; T178-F241 WeakPolarHBondContact OG1-CD1 3.32Å; L222-F241 HydrophobicContact CD2-CE1 4.23Å; L222-F241 HydrophobicContact CD2-CZ 4.27Å; V239-F241 HydrophobicContact CB-CE2 4.21Å; V239-F241 HydrophobicContact CG1-CD2 3.92Å; V239-F241 HydrophobicContact CG1-CE1 4.21Å; V239-F241 HydrophobicContact CG1-CE2 3.53Å; V239-F241 HydrophobicContact CG1-CG 4.45Å; V239-F241 HydrophobicContact CG1-CZ 3.7Å; F241-I244 HydrophobicContact CB-CD1 4.35Å; F241-W256 HydrophobicContact CB-CZ3 3.97Å; F241-W256 AromaticContact CD1-CE3 3.75Å; F241-W256 HydrophobicContact CD1-CE3 3.75Å; F241-W256 AromaticContact CD1-CZ3 3.55Å; F241-W256 HydrophobicContact CD1-CZ3 3.55Å; F241-W256 HydrophobicContact CE1-CE3 4.37Å; F241-W256 HydrophobicContact CG-CZ3 4.22Å; F241-I260 HydrophobicContact CE1-CG1 4.09Å; F241-I260 HydrophobicContact CE2-CG1 3.9Å; F241-I260 HydrophobicContact CZ-CD1 4.47Å; F241-I260 HydrophobicContact CZ-CG1 3.57Å; F241-L263 HydrophobicContact CE2-CD1 3.78Å; F241-L263 HydrophobicContact CZ-CD1 3.65Å; F241-V270 PolarHBondContact N-O 2.83Å; F241-F271 HydrophobicContact CB-CD1 3.64Å; F241-F271 HydrophobicContact CB-CE1 4.19Å; F241-F271 AromaticContact CD2-CD1 3.61Å; F241-F271 HydrophobicContact CD2-CD1 3.61Å; F241-F271 AromaticContact CD2-CE1 3.27Å; F241-F271 HydrophobicContact CD2-CE1 3.27Å; F241-F271 HydrophobicContact CD2-CZ 4.11Å; F241-F271 AromaticContact CE2-CE1 3.77Å; F241-F271 HydrophobicContact CE2-CE1 3.77Å; F241-F271 HydrophobicContact CE2-CZ 4.36Å; F241-F271 AromaticContact CG-CD1 3.91Å; F241-F271 HydrophobicContact CG-CD1 3.91Å; F241-F271 AromaticContact CG-CE1 3.93Å; F241-F271 HydrophobicContact CG-CE1 3.93Å; F241-L272 PolarHBondContact O-N 2.8Å
242	D	94	Very high	90.9	Very high	13 Å²	13	41.8 Å²	41.8	7%	0.07	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	140.3	179.2	-164.9	32.7	0	0	0	112.4	Y177 T178 P180 I244 W256	Y177-D242 HydrophobicContact CE1-CB 4.11Å; Y177-D242 WeakPolarHBondContact OH-CB 2.95Å; Y177-D242 VanDerWaalsContact OH-CG 3.24Å; Y177-D242 PolarHBondContact OH-OD2 3.22Å; Y177-D242 VanDerWaalsContact OH-OD2 3.05Å; T178-D242 WeakPolarHBondContact O-CB 3.24Å; T178-D242 PolarHBondContact O-N 3.16Å; T178-D242 VanDerWaalsContact O-N 3.11Å; P180-D242 WeakPolarHBondContact CD-O 3.49Å; D242-I244 VanDerWaalsContact C-N 3.29Å; D242-I244 PolarHBondContact O-N 2.85Å; D242-W256 WeakPolarHBondContact O-CH2 3.04Å
243	E	91.2	Very high	91.1	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.056	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	41.8	-175.8	-57.5	-81.3	94.9	0	0	113.9	K157 P180 H245 Y246 L272	K157-E243 IonicContact NZ-OE1 3.93Å; K157-E243 PolarHBondContact NZ-OE1 2.7Å; K157-E243 VanDerWaalsContact NZ-OE1 3.12Å; P180-E243 HydrophobicContact CG-CB 4.19Å; E243-H245 PolarHBondContact O-N 2.73Å; E243-H245 PolarHBondContact O-ND1 3.25Å; E243-H245 IonicContact OE1-CE1 3.07Å; E243-H245 IonicContact OE2-CE1 2.81Å; E243-H245 PolarHBondContact OE2-CE1 3.07Å; E243-H245 IonicContact OE2-NE2 2.65Å; E243-Y246 HydrophobicContact CB-CD2 3.92Å; E243-Y246 HydrophobicContact CB-CE2 4Å; E243-Y246 WeakPolarHBondContact O-CD2 3.43Å; E243-Y246 PolarHBondContact O-N 2.85Å; E243-L272 CarbonylContact C-O 3.59Å; E243-L272 WeakPolarHBondContact CA-O 3.2Å; E243-L272 PolarHBondContact N-O 3.4Å
244	I	94.1	Very high	91.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-47.6	-26.2	-177.5	-174.9	56.4	0	0	0	115.2	L148 F241 D242 Y246 M247 W256 I260 F271 L272 F282	L148-I244 HydrophobicContact CD1-CG2 4.16Å; F241-I244 HydrophobicContact CB-CD1 4.35Å; D242-I244 VanDerWaalsContact C-N 3.29Å; D242-I244 PolarHBondContact O-N 2.85Å; I244-Y246 PolarHBondContact O-N 3.16Å; I244-M247 WeakPolarHBondContact O-CB 3.36Å; I244-M247 PolarHBondContact O-N 3.09Å; I244-W256 HydrophobicContact CD1-CD2 4.33Å; I244-W256 HydrophobicContact CD1-CE3 3.43Å; I244-W256 VanDerWaalsContact CD1-CE3 3.43Å; I244-W256 HydrophobicContact CD1-CZ3 3.94Å; I244-I260 HydrophobicContact CD1-CD1 3.98Å; I244-F271 HydrophobicContact CB-CB 4.41Å; I244-F271 HydrophobicContact CB-CD1 4.44Å; I244-F271 HydrophobicContact CD1-CD1 4.03Å; I244-F271 HydrophobicContact CD1-CE1 4.44Å; I244-F271 HydrophobicContact CG1-CD1 3.88Å; I244-F271 HydrophobicContact CG2-CB 4.13Å; I244-L272 PolarHBondContact N-O 3.38Å; I244-F282 HydrophobicContact CD1-CZ 4.21Å; I244-F282 HydrophobicContact CG1-CE2 4.23Å; I244-F282 HydrophobicContact CG1-CZ 3.86Å
245	H	91.3	Very high	91.5	Very high	2 Å²	2	31 Å²	31	1%	0.009	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-60.1	-8.6	175.1	66.4	-77.1	0	0	0	114.5	E243 M247 R248 A274 I276 Q531	E243-H245 PolarHBondContact O-N 2.73Å; E243-H245 PolarHBondContact O-ND1 3.25Å; E243-H245 IonicContact OE1-CE1 3.07Å; E243-H245 IonicContact OE2-CE1 2.81Å; E243-H245 PolarHBondContact OE2-CE1 3.07Å; E243-H245 IonicContact OE2-NE2 2.65Å; H245-M247 PolarHBondContact O-N 2.69Å; H245-R248 VanDerWaalsContact O-CD 3.29Å; H245-R248 WeakPolarHBondContact O-CD 3.38Å; H245-R248 WeakPolarHBondContact O-CG 3.33Å; H245-R248 PolarHBondContact O-N 3.07Å; H245-A274 PolarHBondContact ND1-N 3.4Å; H245-I276 HydrophobicContact CB-CG2 4.26Å; H245-Q531 PolarHBondContact CD2-NE2 2.93Å; H245-Q531 PolarHBondContact NE2-NE2 2.92Å
246	Y	89.1	Confident	91.7	Very high	18 Å²	18	26 Å²	26	7%	0.071	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-66.3	-12	166.4	-84.4	-115.8	0	0	0	113.9	P180 E243 I244 R248 D249 M481	P180-Y246 HydrophobicContact CB-CD1 3.73Å; P180-Y246 HydrophobicContact CB-CE1 4.09Å; P180-Y246 HydrophobicContact CB-CG 3.99Å; P180-Y246 HydrophobicContact CG-CD1 4.3Å; P180-Y246 HydrophobicContact CG-CD2 4.42Å; P180-Y246 HydrophobicContact CG-CE1 4.36Å; P180-Y246 HydrophobicContact CG-CE2 4.48Å; P180-Y246 HydrophobicContact CG-CG 4.32Å; E243-Y246 HydrophobicContact CB-CD2 3.92Å; E243-Y246 HydrophobicContact CB-CE2 4Å; E243-Y246 WeakPolarHBondContact O-CD2 3.43Å; E243-Y246 PolarHBondContact O-N 2.85Å; I244-Y246 PolarHBondContact O-N 3.16Å; Y246-R248 PolarHBondContact O-N 3.45Å; Y246-R248 VanDerWaalsContact O-N 3.1Å; Y246-D249 WeakPolarHBondContact O-CB 3.42Å; Y246-D249 PolarHBondContact O-N 2.94Å; Y246-M481 HydrophobicContact CE1-CE 3.62Å; Y246-M481 VanDerWaalsContact OH-CA 3.31Å; Y246-M481 WeakPolarHBondContact OH-CA 3.28Å; Y246-M481 WeakPolarHBondContact OH-CB 3.48Å
247	M	92.3	Very high	91.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-59.1	-18.8	170.9	-167.4	178	77.7	0	0	113	I244 H245 D249 G253 W256 E257 F282 W285 L571 F601	I244-M247 WeakPolarHBondContact O-CB 3.36Å; I244-M247 PolarHBondContact O-N 3.09Å; H245-M247 PolarHBondContact O-N 2.69Å; M247-D249 VanDerWaalsContact C-N 3.28Å; M247-D249 PolarHBondContact O-N 2.81Å; M247-G253 VanDerWaalsContact O-CA 3.26Å; M247-G253 WeakPolarHBondContact O-CA 3.38Å; M247-W256 HydrophobicContact CB-CB 4.12Å; M247-W256 HydrophobicContact CB-CG 4.49Å; M247-W256 HydrophobicContact CG-CB 3.98Å; M247-E257 HydrophobicContact CG-CG 3.73Å; M247-E257 HydrophobicContact SD-CG 3.47Å; M247-E257 WeakPolarHBondContact SD-CG 2.97Å; M247-F282 HydrophobicContact CE-CD2 3.92Å; M247-F282 HydrophobicContact CE-CE2 3.75Å; M247-F282 HydrophobicContact SD-CE2 3.99Å; M247-W285 HydrophobicContact SD-CZ3 4.36Å; M247-L571 HydrophobicContact CB-CD1 4.05Å; M247-L571 HydrophobicContact CE-CD1 4.06Å; M247-L571 HydrophobicContact CE-CD2 3.96Å; M247-L571 HydrophobicContact CE-CG 3.82Å; M247-F601 HydrophobicContact CE-CB 4.44Å; M247-F601 HydrophobicContact CE-CD1 3.3Å; M247-F601 HydrophobicContact CE-CE1 3.66Å; M247-F601 HydrophobicContact CE-CG 4.03Å
248	R	88.4	Confident	91.6	Very high	58 Å²	58	25.2 Å²	25.2	22%	0.219	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-80.4	0.7	171.2	81.8	-158.9	176.5	174.9	2	114.7	H245 Y246 D569 L571 Q574	H245-R248 VanDerWaalsContact O-CD 3.29Å; H245-R248 WeakPolarHBondContact O-CD 3.38Å; H245-R248 WeakPolarHBondContact O-CG 3.33Å; H245-R248 PolarHBondContact O-N 3.07Å; Y246-R248 PolarHBondContact O-N 3.45Å; Y246-R248 VanDerWaalsContact O-N 3.1Å; R248-D569 PolarHBondContact NH1-O 3.04Å; R248-L571 HydrophobicContact CB-CD1 4.31Å; R248-Q574 VanDerWaalsContact O-CG 3.24Å; R248-Q574 WeakPolarHBondContact O-CG 3.42Å
249	D	85.9	Confident	91.4	Very high	58 Å²	58	25.2 Å²	25.2	31%	0.31	11%	0.108	S	C	.	.			trans	-72.6	134.3	175.3	-176.7	-91.7	0	0	0	111.1	Y246 M247 E251 R252 G253 Q574	Y246-D249 WeakPolarHBondContact O-CB 3.42Å; Y246-D249 PolarHBondContact O-N 2.94Å; M247-D249 VanDerWaalsContact C-N 3.28Å; M247-D249 PolarHBondContact O-N 2.81Å; D249-E251 VanDerWaalsContact C-N 3.34Å; D249-E251 PolarHBondContact O-N 2.66Å; D249-E251 PolarHBondContact OD1-N 3.03Å; D249-R252 PolarHBondContact OD1-N 3.2Å; D249-G253 VanDerWaalsContact O-CA 3.24Å; D249-G253 WeakPolarHBondContact O-CA 3.33Å; D249-G253 PolarHBondContact O-N 2.93Å; D249-Q574 WeakPolarHBondContact O-CB 3.44Å
250	R	81.3	Confident	91.3	Very high	158 Å²	158	25.2 Å²	25.2	60%	0.596	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-27.6	-174.3	-78.7	178.4	170	-167.6	-5.4	114.8	Q574	R250-Q574 HydrophobicContact CG-CG 4.31Å; R250-Q574 VanDerWaalsContact CG-OE1 3.25Å
251	E	79.8	Confident	91.1	Very high	116 Å²	116	25.5 Å²	25.5	54%	0.542	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-42.2	-176.2	-67	-174.2	174.9	0	0	111	D249 R576	D249-E251 VanDerWaalsContact C-N 3.34Å; D249-E251 PolarHBondContact O-N 2.66Å; D249-E251 PolarHBondContact OD1-N 3.03Å; E251-R576 PolarHBondContact O-NH2 3.44Å
252	R	86	Confident	90.9	Very high	79 Å²	79	26.7 Å²	26.7	30%	0.298	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-11.4	-168.9	-59.9	-179.9	68.2	-152.3	1	114.3	P180 E220 D249 V254 V255	P180-R252 PolarHBondContact O-NH1 3.45Å; P180-R252 PolarHBondContact O-NH2 3.4Å; E220-R252 IonicContact OE1-CZ 2.8Å; E220-R252 IonicContact OE1-NE 2.69Å; E220-R252 PolarHBondContact OE1-NE 2.68Å; E220-R252 IonicContact OE1-NH2 2.74Å; E220-R252 PolarHBondContact OE1-NH2 3.3Å; E220-R252 IonicContact OE2-NH2 2.83Å; E220-R252 PolarHBondContact OE2-NH2 3.05Å; D249-R252 PolarHBondContact OD1-N 3.2Å; R252-V254 PolarHBondContact O-N 3.19Å; R252-V255 VanDerWaalsContact O-CB 3.32Å; R252-V255 WeakPolarHBondContact O-CB 3.44Å; R252-V255 PolarHBondContact O-N 3.38Å
253	G	91.1	Very high	90.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.2	-37.4	-179.5	0	0	0	0	0	113.4	M247 D249 V255 W256 E257	M247-G253 VanDerWaalsContact O-CA 3.26Å; M247-G253 WeakPolarHBondContact O-CA 3.38Å; D249-G253 VanDerWaalsContact O-CA 3.24Å; D249-G253 WeakPolarHBondContact O-CA 3.33Å; D249-G253 PolarHBondContact O-N 2.93Å; G253-V255 PolarHBondContact O-N 3.05Å; G253-W256 WeakPolarHBondContact O-CB 3.19Å; G253-W256 PolarHBondContact O-N 3.41Å; G253-W256 VanDerWaalsContact O-N 3.09Å; G253-E257 PolarHBondContact O-N 2.88Å
254	V	92	Very high	91	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.024	13%	0.127	C	C	.	.	H	α-helix	trans	-56.5	-34	175.1	71.9	0	0	0	0	113.4	R252 W256 E257 E258 F575 R576 M581	R252-V254 PolarHBondContact O-N 3.19Å; V254-W256 VanDerWaalsContact C-N 3.28Å; V254-W256 PolarHBondContact O-N 2.95Å; V254-E257 PolarHBondContact O-N 3.4Å; V254-E258 HydrophobicContact CG2-CG 4.31Å; V254-E258 WeakPolarHBondContact CG2-OE1 3.36Å; V254-E258 WeakPolarHBondContact O-CB 3.33Å; V254-E258 WeakPolarHBondContact O-CG 3.41Å; V254-E258 PolarHBondContact O-N 2.86Å; V254-F575 HydrophobicContact CG2-CD2 4.01Å; V254-F575 HydrophobicContact CG2-CE2 4.14Å; V254-F575 HydrophobicContact CG2-CG 4.46Å; V254-R576 HydrophobicContact CB-CG 4.38Å; V254-R576 HydrophobicContact CG1-CG 4.49Å; V254-R576 WeakPolarHBondContact CG2-O 3.42Å; V254-M581 HydrophobicContact CG2-CE 4.44Å
255	V	92.3	Very high	90.9	Very high	10 Å²	10	32 Å²	32	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-34.2	179.5	-179.3	0	0	0	0	111.2	T219 E220 R223 R252 G253 A259	T219-V255 HydrophobicContact CG2-CG1 4.21Å; E220-V255 HydrophobicContact CB-CG1 4.44Å; E220-V255 HydrophobicContact CG-CG1 3.95Å; E220-V255 HydrophobicContact CG-CG2 4.49Å; R223-V255 HydrophobicContact CB-CG1 4.32Å; R252-V255 VanDerWaalsContact O-CB 3.32Å; R252-V255 WeakPolarHBondContact O-CB 3.44Å; R252-V255 PolarHBondContact O-N 3.38Å; G253-V255 PolarHBondContact O-N 3.05Å; V255-A259 VanDerWaalsContact O-CB 3.23Å; V255-A259 WeakPolarHBondContact O-CB 3.27Å; V255-A259 PolarHBondContact O-N 3.45Å
256	W	94.5	Very high	91	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-71.3	-45.2	177.5	-68.5	78.9	0	0	0	111.4	P180 T219 F241 D242 I244 M247 G253 V254 A259 I260	P180-W256 HydrophobicContact CB-CZ2 3.82Å; P180-W256 HydrophobicContact CG-CZ2 4.45Å; T219-W256 HydrophobicContact CG2-CD2 3.87Å; T219-W256 HydrophobicContact CG2-CE3 4.12Å; T219-W256 HydrophobicContact CG2-CG 4.13Å; T219-W256 WeakPolarHBondContact OG1-CH2 3.33Å; T219-W256 WeakPolarHBondContact OG1-CZ2 3.27Å; F241-W256 HydrophobicContact CB-CZ3 3.97Å; F241-W256 AromaticContact CD1-CE3 3.75Å; F241-W256 HydrophobicContact CD1-CE3 3.75Å; F241-W256 AromaticContact CD1-CZ3 3.55Å; F241-W256 HydrophobicContact CD1-CZ3 3.55Å; F241-W256 HydrophobicContact CE1-CE3 4.37Å; F241-W256 HydrophobicContact CG-CZ3 4.22Å; D242-W256 WeakPolarHBondContact O-CH2 3.04Å; I244-W256 HydrophobicContact CD1-CD2 4.33Å; I244-W256 HydrophobicContact CD1-CE3 3.43Å; I244-W256 VanDerWaalsContact CD1-CE3 3.43Å; I244-W256 HydrophobicContact CD1-CZ3 3.94Å; M247-W256 HydrophobicContact CB-CB 4.12Å; M247-W256 HydrophobicContact CB-CG 4.49Å; M247-W256 HydrophobicContact CG-CB 3.98Å; G253-W256 WeakPolarHBondContact O-CB 3.19Å; G253-W256 PolarHBondContact O-N 3.41Å; G253-W256 VanDerWaalsContact O-N 3.09Å; V254-W256 VanDerWaalsContact C-N 3.28Å; V254-W256 PolarHBondContact O-N 2.95Å; W256-A259 PolarHBondContact O-N 2.83Å; W256-I260 WeakPolarHBondContact O-CB 3.4Å; W256-I260 WeakPolarHBondContact O-CD1 3.46Å; W256-I260 VanDerWaalsContact O-CG1 3.25Å; W256-I260 WeakPolarHBondContact O-CG1 3.33Å; W256-I260 PolarHBondContact O-N 3.21Å
257	E	95	Very high	91.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-47.2	176.3	-69.8	-176.1	-132.9	0	0	111.7	M247 G253 V254 A259 I260 I261 W285 S573 F575 F601	M247-E257 HydrophobicContact CG-CG 3.73Å; M247-E257 HydrophobicContact SD-CG 3.47Å; M247-E257 WeakPolarHBondContact SD-CG 2.97Å; G253-E257 PolarHBondContact O-N 2.88Å; V254-E257 PolarHBondContact O-N 3.4Å; E257-A259 VanDerWaalsContact C-N 3.35Å; E257-A259 PolarHBondContact O-N 3.47Å; E257-I260 PolarHBondContact O-N 3.24Å; E257-I261 HydrophobicContact CB-CD1 4.42Å; E257-I261 WeakPolarHBondContact O-CB 3.41Å; E257-I261 WeakPolarHBondContact O-CD1 3.4Å; E257-I261 VanDerWaalsContact O-CG1 3.23Å; E257-I261 WeakPolarHBondContact O-CG1 3.32Å; E257-I261 PolarHBondContact O-N 3.48Å; E257-W285 HydrophobicContact CG-CH2 4.33Å; E257-S573 VanDerWaalsContact CD-OG 3.24Å; E257-S573 WeakPolarHBondContact OE1-CA 3.34Å; E257-S573 WeakPolarHBondContact OE1-CB 3.48Å; E257-S573 PolarHBondContact OE1-OG 3.35Å; E257-S573 PolarHBondContact OE2-OG 2.92Å; E257-F575 HydrophobicContact CB-CD2 4.14Å; E257-F601 HydrophobicContact CG-CB 4.27Å; E257-F601 WeakPolarHBondContact OE2-CB 3.28Å; E257-F601 PolarHBondContact OE2-N 3.39Å
258	E	93.4	Very high	91.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.6	-47.5	174.6	-76.6	178	-133.8	0	0	111.5	R223 Y227 V254 I260 I261 L262 M581 M596	R223-E258 VanDerWaalsContact CD-OE2 3.27Å; R223-E258 WeakPolarHBondContact CD-OE2 3.39Å; R223-E258 HydrophobicContact CG-CB 4.39Å; R223-E258 IonicContact NH1-OE2 3.43Å; Y227-E258 WeakPolarHBondContact CE2-OE2 3.17Å; Y227-E258 PolarHBondContact OH-OE2 3.42Å; V254-E258 HydrophobicContact CG2-CG 4.31Å; V254-E258 WeakPolarHBondContact CG2-OE1 3.36Å; V254-E258 WeakPolarHBondContact O-CB 3.33Å; V254-E258 WeakPolarHBondContact O-CG 3.41Å; V254-E258 PolarHBondContact O-N 2.86Å; E258-I260 PolarHBondContact O-N 3.14Å; E258-I261 PolarHBondContact O-N 3.35Å; E258-L262 WeakPolarHBondContact O-CB 3.29Å; E258-L262 WeakPolarHBondContact O-CD1 3.45Å; E258-L262 VanDerWaalsContact O-CG 3.23Å; E258-L262 WeakPolarHBondContact O-CG 3.23Å; E258-L262 PolarHBondContact O-N 3.13Å; E258-L262 VanDerWaalsContact O-N 3.13Å; E258-M581 HydrophobicContact CG-SD 3.7Å; E258-M596 HydrophobicContact CB-CE 4.45Å; E258-M596 HydrophobicContact CG-CE 4.3Å; E258-M596 HydrophobicContact CG-SD 4.43Å
259	A	94.5	Very high	92	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-40.3	-179.5	0	0	0	0	0	112.5	T219 R223 L226 V255 W256 E257 L263	T219-A259 HydrophobicContact CG2-CB 4.02Å; R223-A259 HydrophobicContact CB-CB 4.33Å; L226-A259 WeakPolarHBondContact CD1-O 3.49Å; V255-A259 VanDerWaalsContact O-CB 3.23Å; V255-A259 WeakPolarHBondContact O-CB 3.27Å; V255-A259 PolarHBondContact O-N 3.45Å; W256-A259 PolarHBondContact O-N 2.83Å; E257-A259 VanDerWaalsContact C-N 3.35Å; E257-A259 PolarHBondContact O-N 3.47Å; A259-L263 WeakPolarHBondContact O-CG 3.45Å; A259-L263 PolarHBondContact O-N 3.49Å
260	I	96.2	Very high	92.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.7	-47.5	178.1	-68.4	164.9	0	0	0	110.5	F241 I244 W256 E257 E258 L262 L263 F271 F282 W285 I286 L289 H290	F241-I260 HydrophobicContact CE1-CG1 4.09Å; F241-I260 HydrophobicContact CE2-CG1 3.9Å; F241-I260 HydrophobicContact CZ-CD1 4.47Å; F241-I260 HydrophobicContact CZ-CG1 3.57Å; I244-I260 HydrophobicContact CD1-CD1 3.98Å; W256-I260 WeakPolarHBondContact O-CB 3.4Å; W256-I260 WeakPolarHBondContact O-CD1 3.46Å; W256-I260 VanDerWaalsContact O-CG1 3.25Å; W256-I260 WeakPolarHBondContact O-CG1 3.33Å; W256-I260 PolarHBondContact O-N 3.21Å; E257-I260 PolarHBondContact O-N 3.24Å; E258-I260 PolarHBondContact O-N 3.14Å; I260-L262 PolarHBondContact O-N 2.8Å; I260-L263 WeakPolarHBondContact O-CB 3.25Å; I260-L263 PolarHBondContact O-N 3.24Å; I260-F271 HydrophobicContact CD1-CE1 3.84Å; I260-F271 HydrophobicContact CG1-CE1 4.28Å; I260-F282 HydrophobicContact CD1-CZ 4.31Å; I260-W285 HydrophobicContact CB-CH2 3.99Å; I260-W285 HydrophobicContact CD1-CH2 4.16Å; I260-W285 HydrophobicContact CD1-CZ3 4.08Å; I260-W285 HydrophobicContact CG2-CH2 3.65Å; I260-W285 HydrophobicContact CG2-CZ2 4.36Å; I260-W285 HydrophobicContact CG2-CZ3 3.98Å; I260-I286 HydrophobicContact CG2-CD1 3.59Å; I260-L289 HydrophobicContact CG2-CD2 3.77Å; I260-H290 PolarHBondContact O-CE1 3.33Å; I260-H290 PolarHBondContact O-NE2 2.68Å
261	I	94.3	Very high	93.4	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-27.1	-177.8	-64.4	160.4	0	0	0	112.7	E257 E258 W285 L289 Y595 M596 R599	E257-I261 HydrophobicContact CB-CD1 4.42Å; E257-I261 WeakPolarHBondContact O-CB 3.41Å; E257-I261 WeakPolarHBondContact O-CD1 3.4Å; E257-I261 VanDerWaalsContact O-CG1 3.23Å; E257-I261 WeakPolarHBondContact O-CG1 3.32Å; E257-I261 PolarHBondContact O-N 3.48Å; E258-I261 PolarHBondContact O-N 3.35Å; I261-W285 HydrophobicContact CD1-CZ2 4.1Å; I261-W285 HydrophobicContact CG1-CZ2 3.84Å; I261-L289 HydrophobicContact CG1-CD1 4.32Å; I261-L289 HydrophobicContact CG1-CD2 4.04Å; I261-L289 HydrophobicContact CG2-CD1 4.43Å; I261-Y595 HydrophobicContact CG2-CE1 4.15Å; I261-M596 HydrophobicContact CB-CE 4.44Å; I261-M596 HydrophobicContact CB-SD 3.75Å; I261-M596 HydrophobicContact CD1-SD 3.55Å; I261-M596 VanDerWaalsContact CD1-SD 3.55Å; I261-M596 HydrophobicContact CG1-SD 4.26Å; I261-M596 HydrophobicContact CG2-CE 4.23Å; I261-M596 HydrophobicContact CG2-SD 3.6Å; I261-M596 VanDerWaalsContact CG2-SD 3.6Å; I261-R599 HydrophobicContact CD1-CB 4.48Å; I261-R599 HydrophobicContact CG1-CB 4.38Å; I261-R599 HydrophobicContact CG2-CB 3.91Å
262	L	92.6	Very high	94.2	Very high	26 Å²	26	19 Å²	19	14%	0.136	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-7.9	176.7	-66.5	171.4	0	0	0	114	L226 Y227 E258 I260 L585 I591 M596	L226-L262 HydrophobicContact CB-CB 4.03Å; L226-L262 HydrophobicContact CB-CD1 4.29Å; L226-L262 HydrophobicContact CD1-CB 3.95Å; L226-L262 HydrophobicContact CG-CB 4.41Å; Y227-L262 HydrophobicContact CD1-CD1 3.92Å; Y227-L262 HydrophobicContact CE1-CD1 3.61Å; Y227-L262 HydrophobicContact CE2-CD1 4.4Å; Y227-L262 HydrophobicContact CG-CD1 4.44Å; E258-L262 WeakPolarHBondContact O-CB 3.29Å; E258-L262 WeakPolarHBondContact O-CD1 3.45Å; E258-L262 VanDerWaalsContact O-CG 3.23Å; E258-L262 WeakPolarHBondContact O-CG 3.23Å; E258-L262 PolarHBondContact O-N 3.13Å; E258-L262 VanDerWaalsContact O-N 3.13Å; I260-L262 PolarHBondContact O-N 2.8Å; L262-L585 HydrophobicContact CD2-CD2 4.42Å; L262-I591 HydrophobicContact CD2-CD1 3.81Å; L262-M596 HydrophobicContact CD1-CE 4.23Å; L262-M596 HydrophobicContact CD2-CE 4.01Å; L262-M596 HydrophobicContact CG-CE 3.89Å
263	L	94	Very high	94.6	Very high	5 Å²	5	15.2 Å²	15.2	3%	0.026	9%	0.091	C	C	.	.	S	Bend	trans	-70.4	141.6	176.7	-82.2	171.3	0	0	0	111.4	L226 M233 V239 F241 A259 I260 H290	L226-L263 HydrophobicContact CD1-CD2 4.32Å; L226-L263 HydrophobicContact CD1-CG 4.34Å; L226-L263 HydrophobicContact CD2-CD2 4.25Å; M233-L263 HydrophobicContact CE-CD2 3.52Å; V239-L263 HydrophobicContact CB-CD1 4.23Å; V239-L263 HydrophobicContact CG1-CD1 4.25Å; V239-L263 HydrophobicContact CG2-CD1 4.11Å; V239-L263 HydrophobicContact CG2-CD2 3.97Å; F241-L263 HydrophobicContact CE2-CD1 3.78Å; F241-L263 HydrophobicContact CZ-CD1 3.65Å; A259-L263 WeakPolarHBondContact O-CG 3.45Å; A259-L263 PolarHBondContact O-N 3.49Å; I260-L263 WeakPolarHBondContact O-CB 3.25Å; I260-L263 PolarHBondContact O-N 3.24Å; L263-H290 PolarHBondContact O-CE1 2.92Å
264	P	92.8	Very high	94.5	Very high	52 Å²	52	15.9 Å²	15.9	34%	0.338	10%	0.096	S	C	.	.			trans	-66.3	142.3	174.2	-18.9	31.2	0	0	0	112.6	S266 V267	P264-S266 PolarHBondContact O-N 3.02Å; P264-V267 HydrophobicContact CB-CG2 4.28Å; P264-V267 HydrophobicContact CG-CG2 4.34Å; P264-V267 WeakPolarHBondContact O-CB 3.12Å; P264-V267 PolarHBondContact O-N 2.81Å
265	D	92.8	Very high	94.4	Very high	79 Å²	79	16.1 Å²	16.1	42%	0.422	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.4	178.1	-62.2	-11.3	0	0	0	114.4	V267 H290	D265-V267 VanDerWaalsContact C-N 3.27Å; D265-H290 WeakPolarHBondContact OD1-CA 3.39Å; D265-H290 IonicContact OD1-CG 2.85Å; D265-H290 IonicContact OD1-ND1 3.23Å; D265-H290 PolarHBondContact OD1-ND1 3.36Å
266	S	93.1	Very high	94.4	Very high	96 Å²	96	16.2 Å²	16.2	67%	0.671	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.5	174.4	60.6	0	0	0	0	114.2	P264	P264-S266 PolarHBondContact O-N 3.02Å
267	V	95.9	Very high	94.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.119	C	C	.	.			trans	-94.1	134.3	-177.2	179.9	0	0	0	0	109.9	V236 V239 P264 D265 H269 Q292	V236-V267 HydrophobicContact CG1-CG1 4.35Å; V239-V267 HydrophobicContact CB-CG1 4.25Å; V239-V267 HydrophobicContact CG2-CG1 3.62Å; P264-V267 HydrophobicContact CB-CG2 4.28Å; P264-V267 HydrophobicContact CG-CG2 4.34Å; P264-V267 WeakPolarHBondContact O-CB 3.12Å; P264-V267 PolarHBondContact O-N 2.81Å; D265-V267 VanDerWaalsContact C-N 3.27Å; V267-H269 PolarHBondContact O-NE2 3.37Å; V267-Q292 PolarHBondContact O-NE2 3.44Å
268	H	97.7	Very high	94.1	Very high	41 Å²	41	20.6 Å²	20.6	19%	0.19	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	154	172.7	-59	-52.9	0	0	0	111.5	D144 G237 W238 V239 Q292	D144-H268 PolarHBondContact O-CE1 3.35Å; D144-H268 VanDerWaalsContact O-CE1 3.25Å; G237-H268 PolarHBondContact O-N 2.8Å; W238-H268 WeakPolarHBondContact CA-O 3.27Å; W238-H268 HydrophobicContact CD2-CB 3.67Å; W238-H268 HydrophobicContact CE3-CB 3.49Å; W238-H268 VanDerWaalsContact CE3-CB 3.49Å; W238-H268 HydrophobicContact CG-CB 4.48Å; W238-H268 HydrophobicContact CH2-CB 3.58Å; W238-H268 HydrophobicContact CZ2-CB 3.74Å; W238-H268 HydrophobicContact CZ3-CB 3.45Å; W238-H268 VanDerWaalsContact CZ3-CB 3.45Å; V239-H268 PolarHBondContact N-O 2.99Å; H268-Q292 PolarHBondContact ND1-OE1 3.13Å
269	H	97.9	Very high	94.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.4	-170	-44.7	-72.4	0	0	0	112.5	S146 V147 V239 V267 F271 H290 Q292	S146-H269 CarbonylContact C-O 3.59Å; S146-H269 VanDerWaalsContact CA-O 3.32Å; S146-H269 WeakPolarHBondContact CA-O 3.49Å; S146-H269 PolarHBondContact OG-CD2 3.03Å; S146-H269 PolarHBondContact OG-N 2.82Å; V147-H269 PolarHBondContact N-O 3.35Å; V239-H269 WeakPolarHBondContact O-CA 3.38Å; V267-H269 PolarHBondContact O-NE2 3.37Å; H269-F271 HydrophobicContact CB-CD2 3.97Å; H269-F271 HydrophobicContact CB-CE1 4.31Å; H269-F271 HydrophobicContact CB-CE2 3.29Å; H269-F271 HydrophobicContact CB-CZ 3.49Å; H269-F271 VanDerWaalsContact CB-CZ 3.49Å; H269-F271 AromaticContact CG-CE2 3.95Å; H269-F271 AromaticContact CG-CZ 3.78Å; H269-H290 AromaticContact CE1-NE2 3.99Å; H269-H290 AromaticContact NE2-CD2 3.23Å; H269-H290 PolarHBondContact NE2-CD2 2.89Å; H269-H290 AromaticContact NE2-CG 3.87Å; H269-H290 AromaticContact NE2-NE2 3.64Å; H269-Q292 PolarHBondContact CD2-NE2 2.81Å; H269-Q292 PolarHBondContact NE2-NE2 3.41Å
270	V	98.3	Very high	94	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	105.9	166.4	179.2	0	0	0	0	108.6	I141 V147 I160 A164 W238 V239 I240 F241 L272	I141-V270 HydrophobicContact CD1-CG2 4.11Å; I141-V270 HydrophobicContact CG1-CG2 4.15Å; V147-V270 HydrophobicContact CG1-CG1 4.4Å; V147-V270 HydrophobicContact CG1-CG2 4.16Å; V147-V270 WeakPolarHBondContact O-CA 3.44Å; I160-V270 HydrophobicContact CG2-CG1 4.11Å; A164-V270 HydrophobicContact CB-CG2 3.94Å; W238-V270 HydrophobicContact CE3-CG2 3.77Å; W238-V270 HydrophobicContact CZ3-CG2 3.75Å; V239-V270 PolarHBondContact O-N 3.22Å; I240-V270 CarbonylContact C-O 3.52Å; I240-V270 WeakPolarHBondContact CA-O 3.44Å; I240-V270 HydrophobicContact CG1-CB 4.21Å; I240-V270 HydrophobicContact CG2-CB 4.35Å; I240-V270 HydrophobicContact CG2-CG1 4.46Å; F241-V270 PolarHBondContact N-O 2.83Å; V270-L272 HydrophobicContact CG1-CD2 3.76Å; V270-L272 HydrophobicContact CG1-CG 4.33Å
271	F	98.2	Very high	93.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	118.3	177.8	-56.6	-82.7	0	0	0	110	V147 L148 V149 F241 I244 I260 H269 F282 I286	V147-F271 PolarHBondContact O-N 3.05Å; L148-F271 WeakPolarHBondContact CA-O 3.47Å; L148-F271 HydrophobicContact CB-CB 4.29Å; L148-F271 HydrophobicContact CD1-CB 3.66Å; V149-F271 PolarHBondContact N-O 3.23Å; F241-F271 HydrophobicContact CB-CD1 3.64Å; F241-F271 HydrophobicContact CB-CE1 4.19Å; F241-F271 AromaticContact CD2-CD1 3.61Å; F241-F271 HydrophobicContact CD2-CD1 3.61Å; F241-F271 AromaticContact CD2-CE1 3.27Å; F241-F271 HydrophobicContact CD2-CE1 3.27Å; F241-F271 HydrophobicContact CD2-CZ 4.11Å; F241-F271 AromaticContact CE2-CE1 3.77Å; F241-F271 HydrophobicContact CE2-CE1 3.77Å; F241-F271 HydrophobicContact CE2-CZ 4.36Å; F241-F271 AromaticContact CG-CD1 3.91Å; F241-F271 HydrophobicContact CG-CD1 3.91Å; F241-F271 AromaticContact CG-CE1 3.93Å; F241-F271 HydrophobicContact CG-CE1 3.93Å; I244-F271 HydrophobicContact CB-CB 4.41Å; I244-F271 HydrophobicContact CB-CD1 4.44Å; I244-F271 HydrophobicContact CD1-CD1 4.03Å; I244-F271 HydrophobicContact CD1-CE1 4.44Å; I244-F271 HydrophobicContact CG1-CD1 3.88Å; I244-F271 HydrophobicContact CG2-CB 4.13Å; I260-F271 HydrophobicContact CD1-CE1 3.84Å; I260-F271 HydrophobicContact CG1-CE1 4.28Å; H269-F271 HydrophobicContact CB-CD2 3.97Å; H269-F271 HydrophobicContact CB-CE1 4.31Å; H269-F271 HydrophobicContact CB-CE2 3.29Å; H269-F271 HydrophobicContact CB-CZ 3.49Å; H269-F271 VanDerWaalsContact CB-CZ 3.49Å; H269-F271 AromaticContact CG-CE2 3.95Å; H269-F271 AromaticContact CG-CZ 3.78Å; F271-F282 HydrophobicContact CB-CE1 4.42Å; F271-F282 AromaticContact CD1-CE1 3.86Å; F271-F282 HydrophobicContact CD1-CE1 3.86Å; F271-F282 AromaticContact CD1-CZ 3.85Å; F271-F282 HydrophobicContact CD1-CZ 3.85Å; F271-F282 AromaticContact CD2-CE1 3.82Å; F271-F282 HydrophobicContact CD2-CE1 3.82Å; F271-F282 AromaticContact CE1-CE1 3.98Å; F271-F282 HydrophobicContact CE1-CE1 3.98Å; F271-F282 AromaticContact CE1-CZ 3.81Å; F271-F282 HydrophobicContact CE1-CZ 3.81Å; F271-F282 AromaticContact CE2-CE1 3.92Å; F271-F282 HydrophobicContact CE2-CE1 3.92Å; F271-F282 AromaticContact CG-CE1 3.78Å; F271-F282 HydrophobicContact CG-CE1 3.78Å; F271-F282 HydrophobicContact CG-CZ 4.26Å; F271-F282 HydrophobicContact CZ-CE1 4.02Å; F271-F282 HydrophobicContact CZ-CZ 4.16Å; F271-I286 HydrophobicContact CE1-CD1 4.36Å; F271-I286 HydrophobicContact CE2-CD1 4.09Å; F271-I286 HydrophobicContact CE2-CG1 3.91Å; F271-I286 HydrophobicContact CE2-CG2 4.12Å; F271-I286 HydrophobicContact CZ-CD1 3.59Å; F271-I286 HydrophobicContact CZ-CG1 3.94Å; F271-I286 HydrophobicContact CZ-CG2 4.47Å
272	L	95.6	Very high	94	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.2	176.7	-54.6	-175.7	0	0	0	109.7	V149 K157 A161 F241 E243 I244 V270	V149-L272 HydrophobicContact CB-CD2 4.07Å; V149-L272 HydrophobicContact CG2-CD2 4.14Å; K157-L272 HydrophobicContact CB-CB 4.5Å; K157-L272 HydrophobicContact CB-CD1 4.21Å; K157-L272 HydrophobicContact CB-CD2 4.3Å; K157-L272 HydrophobicContact CD-CB 4.21Å; A161-L272 HydrophobicContact CB-CD1 4.09Å; F241-L272 PolarHBondContact O-N 2.8Å; E243-L272 CarbonylContact C-O 3.59Å; E243-L272 WeakPolarHBondContact CA-O 3.2Å; E243-L272 PolarHBondContact N-O 3.4Å; I244-L272 PolarHBondContact N-O 3.38Å; V270-L272 HydrophobicContact CG1-CD2 3.76Å; V270-L272 HydrophobicContact CG1-CG 4.33Å
273	S	93.7	Very high	94.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	155.3	-175.3	-170.8	0	0	0	0	112.2	V149 A151 K157	V149-S273 PolarHBondContact O-N 3.25Å; A151-S273 PolarHBondContact N-O 2.88Å; A151-S273 VanDerWaalsContact N-O 3.16Å; K157-S273 WeakPolarHBondContact CD-O 3.4Å; K157-S273 WeakPolarHBondContact CE-O 3.33Å; K157-S273 PolarHBondContact NZ-O 3.13Å
274	A	88.9	Confident	94.2	Very high	13 Å²	13	23.7 Å²	23.7	11%	0.107	14%	0.142	C	C	.	.	S	Bend	trans	-63.9	168.3	152.5	0	0	0	0	0	109.9	S150 A151 H245 I276	S150-A274 PolarHBondContact OG-O 3.14Å; A151-A274 WeakPolarHBondContact O-CA 3.43Å; H245-A274 PolarHBondContact ND1-N 3.4Å; A274-I276 PolarHBondContact O-N 3.5Å; A274-I276 VanDerWaalsContact O-N 3.07Å
275	T	90	Very high	94.3	Very high	10 Å²	10	21.5 Å²	21.5	6%	0.061	13%	0.127	C	C	.	.			trans	-56.6	112.6	173.9	45.8	0	0	0	0	110.7	S150 P568	S150-T275 WeakPolarHBondContact OG-CA 3.34Å; T275-P568 WeakPolarHBondContact O-CB 3.43Å; T275-P568 WeakPolarHBondContact O-CG 3.31Å
276	I	92.8	Very high	94.4	Very high	12 Å²	12	17.8 Å²	17.8	6%	0.062	11%	0.107	C	C	.	.			trans	-120.6	139.8	175.6	54.3	171.7	0	0	0	110.8	L148 S150 H245 A274 L571	L148-I276 HydrophobicContact CD2-CD1 4.36Å; S150-I276 PolarHBondContact OG-N 3.09Å; H245-I276 HydrophobicContact CB-CG2 4.26Å; A274-I276 PolarHBondContact O-N 3.5Å; A274-I276 VanDerWaalsContact O-N 3.07Å; I276-L571 HydrophobicContact CD1-CB 3.98Å; I276-L571 HydrophobicContact CD1-CD2 3.77Å; I276-L571 HydrophobicContact CG2-CB 4.34Å
277	P	91.1	Very high	94.5	Very high	71 Å²	71	13.2 Å²	13.2	46%	0.461	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-23.2	-175.6	31	-37.1	0	0	0	114	P568 P570	P277-P568 WeakPolarHBondContact CD-O 3.43Å; P277-P570 HydrophobicContact CG-CB 4Å
278	N	92.6	Very high	94.3	Very high	22 Å²	22	15.9 Å²	15.9	12%	0.118	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	36.6	-174.6	65.1	-38.7	0	0	0	112.8	S280 Q281 F282 P570 L571	N278-S280 VanDerWaalsContact C-N 3.3Å; N278-S280 PolarHBondContact O-N 3.32Å; N278-Q281 HydrophobicContact CB-CB 4.19Å; N278-Q281 PolarHBondContact ND2-OE1 3.3Å; N278-Q281 WeakPolarHBondContact O-CB 3.34Å; N278-Q281 PolarHBondContact O-N 3.15Å; N278-F282 PolarHBondContact O-N 3.27Å; N278-P570 WeakPolarHBondContact OD1-CA 3.46Å; N278-L571 PolarHBondContact ND2-O 3.19Å; N278-L571 PolarHBondContact OD1-N 3.27Å
279	G	93.4	Very high	94.1	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-57.9	-38.9	178	0	0	0	0	0	113.6	L148 Q281 F282 A283	L148-G279 WeakPolarHBondContact CD2-O 3.42Å; G279-Q281 VanDerWaalsContact C-N 3.34Å; G279-Q281 PolarHBondContact O-N 3.31Å; G279-F282 WeakPolarHBondContact O-CB 3.35Å; G279-F282 PolarHBondContact O-N 2.85Å; G279-F282 VanDerWaalsContact O-N 3.15Å; G279-A283 PolarHBondContact O-N 3.38Å
280	S	93.1	Very high	93.9	Very high	29 Å²	29	15 Å²	15	20%	0.203	9%	0.086	C	C	.	.	H	α-helix	trans	-60.4	-41.7	177	-28.3	0	0	0	0	111.9	E103 N278 F282 A283 E284	E103-S280 VanDerWaalsContact OE2-CB 3.32Å; E103-S280 WeakPolarHBondContact OE2-CB 3.27Å; E103-S280 PolarHBondContact OE2-OG 2.88Å; N278-S280 VanDerWaalsContact C-N 3.3Å; N278-S280 PolarHBondContact O-N 3.32Å; S280-F282 VanDerWaalsContact C-N 3.31Å; S280-F282 PolarHBondContact O-N 3.45Å; S280-A283 PolarHBondContact O-N 3.05Å; S280-A283 VanDerWaalsContact O-N 3.16Å; S280-E284 WeakPolarHBondContact O-CG 3.31Å; S280-E284 PolarHBondContact O-N 2.61Å
281	Q	93.7	Very high	93.7	Very high	37 Å²	37	24 Å²	24	17%	0.173	12%	0.12	C	C	.	.	H	α-helix	trans	-59.9	-40.4	174.8	-178.8	179.3	48.7	0	0	111.9	N278 G279 W285 F601 F604 I608	N278-Q281 HydrophobicContact CB-CB 4.19Å; N278-Q281 PolarHBondContact ND2-OE1 3.3Å; N278-Q281 WeakPolarHBondContact O-CB 3.34Å; N278-Q281 PolarHBondContact O-N 3.15Å; G279-Q281 VanDerWaalsContact C-N 3.34Å; G279-Q281 PolarHBondContact O-N 3.31Å; Q281-W285 PolarHBondContact O-N 2.58Å; Q281-F601 HydrophobicContact CG-CE2 4.14Å; Q281-F601 HydrophobicContact CG-CZ 4.17Å; Q281-F604 HydrophobicContact CG-CD1 4.45Å; Q281-F604 HydrophobicContact CG-CE1 3.91Å; Q281-F604 VanDerWaalsContact O-CE1 3.23Å; Q281-F604 WeakPolarHBondContact O-CE1 3.49Å; Q281-I608 HydrophobicContact CG-CD1 3.57Å; Q281-I608 VanDerWaalsContact NE2-CD1 3.32Å
282	F	95.6	Very high	93.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.8	-40.9	176.3	-177.4	-89.7	0	0	0	111.6	L148 I244 M247 I260 F271 N278 G279 S280 W285 I286 L571 F601	L148-F282 HydrophobicContact CD2-CB 4.31Å; L148-F282 HydrophobicContact CD2-CD1 3.95Å; L148-F282 HydrophobicContact CD2-CG 4.48Å; I244-F282 HydrophobicContact CD1-CZ 4.21Å; I244-F282 HydrophobicContact CG1-CE2 4.23Å; I244-F282 HydrophobicContact CG1-CZ 3.86Å; M247-F282 HydrophobicContact CE-CD2 3.92Å; M247-F282 HydrophobicContact CE-CE2 3.75Å; M247-F282 HydrophobicContact SD-CE2 3.99Å; I260-F282 HydrophobicContact CD1-CZ 4.31Å; F271-F282 HydrophobicContact CB-CE1 4.42Å; F271-F282 AromaticContact CD1-CE1 3.86Å; F271-F282 HydrophobicContact CD1-CE1 3.86Å; F271-F282 AromaticContact CD1-CZ 3.85Å; F271-F282 HydrophobicContact CD1-CZ 3.85Å; F271-F282 AromaticContact CD2-CE1 3.82Å; F271-F282 HydrophobicContact CD2-CE1 3.82Å; F271-F282 AromaticContact CE1-CE1 3.98Å; F271-F282 HydrophobicContact CE1-CE1 3.98Å; F271-F282 AromaticContact CE1-CZ 3.81Å; F271-F282 HydrophobicContact CE1-CZ 3.81Å; F271-F282 AromaticContact CE2-CE1 3.92Å; F271-F282 HydrophobicContact CE2-CE1 3.92Å; F271-F282 AromaticContact CG-CE1 3.78Å; F271-F282 HydrophobicContact CG-CE1 3.78Å; F271-F282 HydrophobicContact CG-CZ 4.26Å; F271-F282 HydrophobicContact CZ-CE1 4.02Å; F271-F282 HydrophobicContact CZ-CZ 4.16Å; N278-F282 PolarHBondContact O-N 3.27Å; G279-F282 WeakPolarHBondContact O-CB 3.35Å; G279-F282 PolarHBondContact O-N 2.85Å; G279-F282 VanDerWaalsContact O-N 3.15Å; S280-F282 VanDerWaalsContact C-N 3.31Å; S280-F282 PolarHBondContact O-N 3.45Å; F282-W285 AromaticContact CD2-CE3 3.98Å; F282-W285 HydrophobicContact CD2-CE3 3.98Å; F282-W285 HydrophobicContact CD2-CZ3 4.23Å; F282-W285 AromaticContact CE2-CE3 3.77Å; F282-W285 HydrophobicContact CE2-CE3 3.77Å; F282-W285 AromaticContact CE2-CZ3 3.57Å; F282-W285 HydrophobicContact CE2-CZ3 3.57Å; F282-W285 HydrophobicContact CZ-CE3 4.29Å; F282-W285 HydrophobicContact CZ-CZ3 4.01Å; F282-W285 WeakPolarHBondContact O-CB 3.29Å; F282-W285 PolarHBondContact O-N 3.09Å; F282-I286 HydrophobicContact CD1-CG1 3.95Å; F282-I286 HydrophobicContact CE1-CD1 4.03Å; F282-I286 HydrophobicContact CE1-CG1 3.56Å; F282-I286 HydrophobicContact CZ-CD1 3.97Å; F282-I286 HydrophobicContact CZ-CG1 4Å; F282-I286 WeakPolarHBondContact O-CG1 3.43Å; F282-I286 PolarHBondContact O-N 2.99Å; F282-L571 HydrophobicContact CB-CD2 4.48Å; F282-L571 HydrophobicContact CD2-CD2 3.65Å; F282-L571 HydrophobicContact CE2-CD2 4.13Å; F282-L571 HydrophobicContact CG-CD2 4.19Å; F282-F601 HydrophobicContact CB-CZ 4.46Å; F282-F601 HydrophobicContact CD2-CZ 4.4Å
283	A	95.9	Very high	93.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.5	-33.3	176.4	0	0	0	0	0	113.8	G279 S280 W285 S287 C294 V296	G279-A283 PolarHBondContact O-N 3.38Å; S280-A283 PolarHBondContact O-N 3.05Å; S280-A283 VanDerWaalsContact O-N 3.16Å; A283-W285 VanDerWaalsContact C-N 3.35Å; A283-S287 WeakPolarHBondContact O-CB 3.5Å; A283-S287 PolarHBondContact O-N 2.87Å; A283-C294 HydrophobicContact CB-CB 3.98Å; A283-V296 HydrophobicContact CB-CG2 3.27Å
284	E	94.6	Very high	93.6	Very high	33 Å²	33	26.4 Å²	26.4	15%	0.154	13%	0.13	C	C	.	.	H	α-helix	trans	-58.7	-45.6	168.7	-72.2	172.9	-124.8	0	0	111.5	V90 T105 S280 S287 L288 F604	V90-E284 HydrophobicContact CG2-CG 3.84Å; T105-E284 HydrophobicContact CG2-CB 4.2Å; T105-E284 HydrophobicContact CG2-CG 3.75Å; S280-E284 WeakPolarHBondContact O-CG 3.31Å; S280-E284 PolarHBondContact O-N 2.61Å; E284-S287 PolarHBondContact O-N 2.72Å; E284-L288 WeakPolarHBondContact O-CB 3.46Å; E284-L288 VanDerWaalsContact O-CG 3.31Å; E284-L288 WeakPolarHBondContact O-CG 3.49Å; E284-L288 PolarHBondContact O-N 3.46Å; E284-F604 HydrophobicContact CB-CE1 4.12Å; E284-F604 HydrophobicContact CB-CZ 3.55Å
285	W	94.9	Very high	94	Very high	6 Å²	6	25.8 Å²	25.8	2%	0.023	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-53.6	176	174.9	58.5	0	0	0	112.3	M247 E257 I260 I261 Q281 F282 A283 S287 L288 L289 R599 F601 F604	M247-W285 HydrophobicContact SD-CZ3 4.36Å; E257-W285 HydrophobicContact CG-CH2 4.33Å; I260-W285 HydrophobicContact CB-CH2 3.99Å; I260-W285 HydrophobicContact CD1-CH2 4.16Å; I260-W285 HydrophobicContact CD1-CZ3 4.08Å; I260-W285 HydrophobicContact CG2-CH2 3.65Å; I260-W285 HydrophobicContact CG2-CZ2 4.36Å; I260-W285 HydrophobicContact CG2-CZ3 3.98Å; I261-W285 HydrophobicContact CD1-CZ2 4.1Å; I261-W285 HydrophobicContact CG1-CZ2 3.84Å; Q281-W285 PolarHBondContact O-N 2.58Å; F282-W285 AromaticContact CD2-CE3 3.98Å; F282-W285 HydrophobicContact CD2-CE3 3.98Å; F282-W285 HydrophobicContact CD2-CZ3 4.23Å; F282-W285 AromaticContact CE2-CE3 3.77Å; F282-W285 HydrophobicContact CE2-CE3 3.77Å; F282-W285 AromaticContact CE2-CZ3 3.57Å; F282-W285 HydrophobicContact CE2-CZ3 3.57Å; F282-W285 HydrophobicContact CZ-CE3 4.29Å; F282-W285 HydrophobicContact CZ-CZ3 4.01Å; F282-W285 WeakPolarHBondContact O-CB 3.29Å; F282-W285 PolarHBondContact O-N 3.09Å; A283-W285 VanDerWaalsContact C-N 3.35Å; W285-S287 VanDerWaalsContact C-N 3.28Å; W285-S287 PolarHBondContact O-N 2.86Å; W285-L288 PolarHBondContact O-N 2.75Å; W285-L289 HydrophobicContact CH2-CD2 4.41Å; W285-L289 HydrophobicContact CZ2-CD2 3.88Å; W285-L289 WeakPolarHBondContact O-CB 3.48Å; W285-L289 PolarHBondContact O-N 3.15Å; W285-R599 PolarHBondContact NE1-O 3.4Å; W285-F601 HydrophobicContact CB-CD2 3.68Å; W285-F601 HydrophobicContact CB-CE2 3.92Å; W285-F601 HydrophobicContact CD2-CB 3.93Å; W285-F601 AromaticContact CD2-CD2 3.62Å; W285-F601 HydrophobicContact CD2-CD2 3.62Å; W285-F601 HydrophobicContact CD2-CG 4.12Å; W285-F601 HydrophobicContact CE3-CB 4.2Å; W285-F601 AromaticContact CE3-CD2 3.87Å; W285-F601 HydrophobicContact CE3-CD2 3.87Å; W285-F601 HydrophobicContact CE3-CG 4.2Å; W285-F601 HydrophobicContact CG-CB 4.46Å; W285-F601 AromaticContact CG-CD2 3.54Å; W285-F601 HydrophobicContact CG-CD2 3.54Å; W285-F601 HydrophobicContact CG-CE2 4.28Å; W285-F601 HydrophobicContact CG-CG 4.43Å; W285-F601 HydrophobicContact CH2-CB 4.25Å; W285-F601 HydrophobicContact CZ2-CB 3.98Å; W285-F601 HydrophobicContact CZ3-CB 4.36Å; W285-F604 HydrophobicContact CB-CD1 3.63Å; W285-F604 HydrophobicContact CB-CE1 3.86Å; W285-F604 HydrophobicContact CB-CG 4.01Å; W285-F604 HydrophobicContact CB-CZ 4.47Å; W285-F604 AromaticContact CD1-CG 3.96Å; W285-F604 HydrophobicContact CG-CB 4.44Å; W285-F604 HydrophobicContact CG-CD1 4.27Å; W285-F604 HydrophobicContact CG-CG 4.3Å
286	I	96	Very high	94.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.9	-41.5	178.4	-64.5	-58.7	0	0	0	111.6	I260 F271 F282 L289 H290 C294	I260-I286 HydrophobicContact CG2-CD1 3.59Å; F271-I286 HydrophobicContact CE1-CD1 4.36Å; F271-I286 HydrophobicContact CE2-CD1 4.09Å; F271-I286 HydrophobicContact CE2-CG1 3.91Å; F271-I286 HydrophobicContact CE2-CG2 4.12Å; F271-I286 HydrophobicContact CZ-CD1 3.59Å; F271-I286 HydrophobicContact CZ-CG1 3.94Å; F271-I286 HydrophobicContact CZ-CG2 4.47Å; F282-I286 HydrophobicContact CD1-CG1 3.95Å; F282-I286 HydrophobicContact CE1-CD1 4.03Å; F282-I286 HydrophobicContact CE1-CG1 3.56Å; F282-I286 HydrophobicContact CZ-CD1 3.97Å; F282-I286 HydrophobicContact CZ-CG1 4Å; F282-I286 WeakPolarHBondContact O-CG1 3.43Å; F282-I286 PolarHBondContact O-N 2.99Å; I286-L289 PolarHBondContact O-N 2.98Å; I286-H290 PolarHBondContact O-N 2.88Å; I286-C294 HydrophobicContact CB-CB 4.38Å; I286-C294 HydrophobicContact CG2-CB 4.14Å
287	S	94.5	Very high	94.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.8	-37.9	-178	-172.2	0	0	0	0	112.7	T105 P107 A283 E284 W285 R291 Q292	T105-S287 PolarHBondContact O-OG 3.26Å; P107-S287 WeakPolarHBondContact CD-OG 3.33Å; A283-S287 WeakPolarHBondContact O-CB 3.5Å; A283-S287 PolarHBondContact O-N 2.87Å; E284-S287 PolarHBondContact O-N 2.72Å; W285-S287 VanDerWaalsContact C-N 3.28Å; W285-S287 PolarHBondContact O-N 2.86Å; S287-R291 WeakPolarHBondContact O-CA 3.34Å; S287-R291 PolarHBondContact O-N 3.46Å; S287-Q292 VanDerWaalsContact CA-O 3.24Å; S287-Q292 WeakPolarHBondContact CA-O 3.17Å; S287-Q292 VanDerWaalsContact CB-O 3.31Å; S287-Q292 WeakPolarHBondContact CB-O 3.34Å; S287-Q292 PolarHBondContact O-N 3.26Å; S287-Q292 PolarHBondContact OG-O 3.32Å
288	L	92.2	Very high	94.7	Very high	57 Å²	57	22.6 Å²	22.6	30%	0.298	11%	0.106	S	C	.	.	H	α-helix	trans	-74.5	-38.2	174.5	-69.7	167.2	0	0	0	112.4	S86 A88 P108 E284 W285 F604	S86-L288 WeakPolarHBondContact O-CD2 3.15Å; A88-L288 HydrophobicContact CB-CD2 4.17Å; A88-L288 HydrophobicContact CB-CG 4.11Å; P108-L288 HydrophobicContact CG-CD2 3.81Å; E284-L288 WeakPolarHBondContact O-CB 3.46Å; E284-L288 VanDerWaalsContact O-CG 3.31Å; E284-L288 WeakPolarHBondContact O-CG 3.49Å; E284-L288 PolarHBondContact O-N 3.46Å; W285-L288 PolarHBondContact O-N 2.75Å; L288-F604 HydrophobicContact CD1-CD2 4.28Å; L288-F604 HydrophobicContact CD1-CE2 3.55Å; L288-F604 HydrophobicContact CD1-CZ 4.35Å
289	L	93.2	Very high	94.6	Very high	17 Å²	17	21.8 Å²	21.8	9%	0.089	10%	0.102	C	C	.	.	H	α-helix	trans	-63.4	-55.9	-178.8	177.8	60.7	0	0	0	111.7	I260 I261 W285 I286 R599	I260-L289 HydrophobicContact CG2-CD2 3.77Å; I261-L289 HydrophobicContact CG1-CD1 4.32Å; I261-L289 HydrophobicContact CG1-CD2 4.04Å; I261-L289 HydrophobicContact CG2-CD1 4.43Å; W285-L289 HydrophobicContact CH2-CD2 4.41Å; W285-L289 HydrophobicContact CZ2-CD2 3.88Å; W285-L289 WeakPolarHBondContact O-CB 3.48Å; W285-L289 PolarHBondContact O-N 3.15Å; I286-L289 PolarHBondContact O-N 2.98Å; L289-R599 HydrophobicContact CD1-CB 3.81Å; L289-R599 HydrophobicContact CD1-CG 3.81Å
290	H	94	Very high	94.3	Very high	4 Å²	4	27 Å²	27	2%	0.019	13%	0.129	C	C	.	.	S	Bend	trans	-101.7	6.8	-175	-63.3	-56.7	0	0	0	114.1	I260 L263 D265 H269 I286 Q292	I260-H290 PolarHBondContact O-CE1 3.33Å; I260-H290 PolarHBondContact O-NE2 2.68Å; L263-H290 PolarHBondContact O-CE1 2.92Å; D265-H290 WeakPolarHBondContact OD1-CA 3.39Å; D265-H290 IonicContact OD1-CG 2.85Å; D265-H290 IonicContact OD1-ND1 3.23Å; D265-H290 PolarHBondContact OD1-ND1 3.36Å; H269-H290 AromaticContact CE1-NE2 3.99Å; H269-H290 AromaticContact NE2-CD2 3.23Å; H269-H290 PolarHBondContact NE2-CD2 2.89Å; H269-H290 AromaticContact NE2-CG 3.87Å; H269-H290 AromaticContact NE2-NE2 3.64Å; I286-H290 PolarHBondContact O-N 2.88Å; H290-Q292 HydrophobicContact CB-CG 3.89Å; H290-Q292 PolarHBondContact O-N 2.97Å
291	R	93.1	Very high	93.8	Very high	189 Å²	189	32.7 Å²	32.7	71%	0.713	15%	0.146	S	C	*	.	S	Bend	trans	55	27.5	176.6	-55.5	174.6	177.5	-177.1	-2.1	114.3	S287	S287-R291 WeakPolarHBondContact O-CA 3.34Å; S287-R291 PolarHBondContact O-N 3.46Å
292	Q	93.9	Very high	93.4	Very high	20 Å²	20	32.8 Å²	32.8	9%	0.093	15%	0.145	C	C	.	.	S	Bend	trans	-116.8	163.1	-179.7	58.7	175.2	-52.4	0	0	111.8	S146 V267 H268 H269 S287 H290	S146-Q292 PolarHBondContact OG-OE1 3.39Å; V267-Q292 PolarHBondContact O-NE2 3.44Å; H268-Q292 PolarHBondContact ND1-OE1 3.13Å; H269-Q292 PolarHBondContact CD2-NE2 2.81Å; H269-Q292 PolarHBondContact NE2-NE2 3.41Å; S287-Q292 VanDerWaalsContact CA-O 3.24Å; S287-Q292 WeakPolarHBondContact CA-O 3.17Å; S287-Q292 VanDerWaalsContact CB-O 3.31Å; S287-Q292 WeakPolarHBondContact CB-O 3.34Å; S287-Q292 PolarHBondContact O-N 3.26Å; S287-Q292 PolarHBondContact OG-O 3.32Å; H290-Q292 HydrophobicContact CB-CG 3.89Å; H290-Q292 PolarHBondContact O-N 2.97Å
293	K	95.1	Very high	92.9	Very high	31 Å²	31	34.9 Å²	34.9	14%	0.135	16%	0.159	C	C	.	.			trans	-71.6	136.1	173	-66.9	170	179.7	170.8	0	109.1	V104 T105 V106 T111 Q145 S146	V104-K293 HydrophobicContact CG2-CB 4.5Å; T105-K293 WeakPolarHBondContact O-CA 3.39Å; V106-K293 HydrophobicContact CG1-CG 4.38Å; V106-K293 HydrophobicContact CG2-CG 4.46Å; T111-K293 PolarHBondContact O-NZ 3.36Å; Q145-K293 HydrophobicContact CG-CB 4.18Å; Q145-K293 HydrophobicContact CG-CD 4.46Å; S146-K293 PolarHBondContact N-O 3.43Å
294	C	96.7	Very high	92.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.2	176.8	-170.1	0	0	0	0	110.7	T105 S146 A283 I286	T105-C294 PolarHBondContact N-O 3.21Å; T105-C294 PolarHBondContact O-N 3.03Å; S146-C294 WeakPolarHBondContact O-CA 3.32Å; A283-C294 HydrophobicContact CB-CB 3.98Å; I286-C294 HydrophobicContact CB-CB 4.38Å; I286-C294 HydrophobicContact CG2-CB 4.14Å
295	H	97.7	Very high	92.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147.7	-179.5	-67.4	-106.2	0	0	0	111.1	H102 E103 V104 C140 Q145 S146 V147 L148	H102-H295 AromaticContact CD2-ND1 3.92Å; H102-H295 AromaticContact CE1-ND1 3.79Å; H102-H295 AromaticContact NE2-CE1 3.94Å; H102-H295 AromaticContact NE2-CG 3.74Å; H102-H295 AromaticContact NE2-ND1 2.91Å; H102-H295 PolarHBondContact NE2-ND1 2.84Å; E103-H295 CarbonylContact O-C 3.58Å; E103-H295 WeakPolarHBondContact O-CA 3.48Å; V104-H295 WeakPolarHBondContact CG2-CE1 3.45Å; V104-H295 WeakPolarHBondContact CG2-NE2 3.45Å; C140-H295 PolarHBondContact SG-ND1 3.04Å; Q145-H295 PolarHBondContact OE1-NE2 3.1Å; S146-H295 PolarHBondContact O-N 3.09Å; V147-H295 HydrophobicContact CB-CB 4.21Å; V147-H295 HydrophobicContact CG2-CB 4.02Å; L148-H295 PolarHBondContact N-O 3.03Å
296	V	97.4	Very high	92.4	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	115.7	171.2	-176.1	0	0	0	0	108.2	H102 E103 L148 A283	H102-V296 WeakPolarHBondContact CA-O 3.18Å; E103-V296 HydrophobicContact CB-CB 4.35Å; E103-V296 PolarHBondContact N-O 2.77Å; E103-V296 PolarHBondContact O-N 2.98Å; L148-V296 HydrophobicContact CB-CG2 4.49Å; L148-V296 HydrophobicContact CD2-CG1 4.2Å; L148-V296 HydrophobicContact CD2-CG2 4.22Å; L148-V296 WeakPolarHBondContact O-CA 3.48Å; A283-V296 HydrophobicContact CB-CG2 3.27Å
297	I	96.4	Very high	92.3	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	110.7	176.6	-63.1	171.2	0	0	0	106.9	K101 H102 F133 E136 A137 V147 L148 V149 S150	K101-I297 WeakPolarHBondContact O-CA 3.49Å; H102-I297 HydrophobicContact CB-CG1 4.48Å; F133-I297 HydrophobicContact CB-CG2 3.79Å; E136-I297 HydrophobicContact CB-CD1 3.69Å; E136-I297 HydrophobicContact CB-CG1 4.47Å; A137-I297 HydrophobicContact CB-CD1 3.75Å; V147-I297 HydrophobicContact CG2-CD1 3.87Å; V147-I297 HydrophobicContact CG2-CG1 4.34Å; L148-I297 PolarHBondContact O-N 2.79Å; V149-I297 WeakPolarHBondContact CA-O 3.37Å; S150-I297 PolarHBondContact N-O 3.48Å
298	S	94.2	Very high	92.3	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.154	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.9	-178.8	61	0	0	0	0	111.8	C100 K101 S150	C100-S298 WeakPolarHBondContact CA-O 3.49Å; K101-S298 PolarHBondContact N-O 3.35Å; K101-S298 PolarHBondContact O-N 3.31Å; S150-S298 WeakPolarHBondContact O-CA 3.18Å
299	T	91.9	Very high	92.4	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	129.5	171.7	-173.3	0	0	0	0	112.1	S99 F133 S150 A151 R301	S99-T299 WeakPolarHBondContact O-CA 3.44Å; S99-T299 VanDerWaalsContact O-CB 3.31Å; S99-T299 WeakPolarHBondContact O-CB 3.39Å; S99-T299 PolarHBondContact O-OG1 3.26Å; F133-T299 HydrophobicContact CB-CG2 4.07Å; F133-T299 HydrophobicContact CD1-CG2 3.85Å; F133-T299 HydrophobicContact CD2-CG2 4.32Å; F133-T299 HydrophobicContact CE1-CG2 4.39Å; F133-T299 HydrophobicContact CG-CG2 3.81Å; S150-T299 PolarHBondContact O-N 3.19Å; A151-T299 HydrophobicContact CB-CG2 3.84Å; T299-R301 VanDerWaalsContact C-N 3.27Å; T299-R301 WeakPolarHBondContact OG1-CB 3.39Å; T299-R301 PolarHBondContact OG1-N 3.03Å
300	D	85.5	Confident	92.2	Very high	112 Å²	112	36.6 Å²	36.6	60%	0.599	17%	0.168	S	C	*	.			trans	-86.6	-2	173.7	-55.9	-49.8	0	0	0	111.5	R302	D300-R302 PolarHBondContact O-N 3.09Å
301	R	84.3	Confident	92	Very high	148 Å²	148	36.9 Å²	36.9	56%	0.558	17%	0.17	S	C	*	.			trans	-75.2	107.7	-176.6	-173.3	175.5	177.8	175.2	-1.1	110.9	D97 T299	D97-R301 IonicContact OD2-NH1 2.85Å; D97-R301 PolarHBondContact OD2-NH1 3.12Å; T299-R301 VanDerWaalsContact C-N 3.27Å; T299-R301 WeakPolarHBondContact OG1-CB 3.39Å; T299-R301 PolarHBondContact OG1-N 3.03Å
302	R	84.2	Confident	91.7	Very high	39 Å²	39	27.9 Å²	27.9	15%	0.147	14%	0.136	C	C	.	.			trans	-81.6	130.5	170.7	-166.8	174.5	-87.6	-95.4	-8.3	111	D300 V304 G534	D300-R302 PolarHBondContact O-N 3.09Å; R302-V304 VanDerWaalsContact C-N 3.28Å; R302-V304 WeakPolarHBondContact CD-O 3.42Å; R302-V304 WeakPolarHBondContact CG-O 3.4Å; R302-V304 PolarHBondContact O-N 2.94Å; R302-G534 PolarHBondContact NH1-O 2.74Å
303	P	85.3	Confident	91.1	Very high	45 Å²	45	28.5 Å²	28.5	29%	0.292	14%	0.139	S	C	.	.	S	Bend	trans	-64.5	-26.8	178	-26.6	36.5	0	0	0	115.1	R539	P303-R539 HydrophobicContact CB-CG 4.06Å
304	V	90.3	Very high	90.1	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.03	14%	0.137	C	C	.	.	S	Bend	trans	-123.7	111.8	174.9	-177.5	0	0	0	0	108.2	R302 R539 D542	R302-V304 VanDerWaalsContact C-N 3.28Å; R302-V304 WeakPolarHBondContact CD-O 3.42Å; R302-V304 WeakPolarHBondContact CG-O 3.4Å; R302-V304 PolarHBondContact O-N 2.94Å; V304-R539 HydrophobicContact CG2-CB 4.35Å; V304-D542 WeakPolarHBondContact CG1-O 3.41Å
305	P	91.6	Very high	89.2	Confident	48 Å²	48	27.7 Å²	27.7	31%	0.312	14%	0.139	S	C	.	.			trans	-67.4	153.4	-176.2	29.5	-36.7	0	0	0	111.8	T324 E543 R544 G545	P305-T324 HydrophobicContact CB-CG2 3.92Å; P305-T324 HydrophobicContact CG-CG2 4.07Å; P305-E543 WeakPolarHBondContact CD-O 3.4Å; P305-R544 HydrophobicContact CG-CB 4.36Å; P305-R544 CarbonylContact O-C 3.54Å; P305-R544 VanDerWaalsContact O-CA 3.28Å; P305-R544 WeakPolarHBondContact O-CA 3.36Å; P305-G545 PolarHBondContact O-N 2.85Å
306	L	93.1	Very high	88.2	Confident	18 Å²	18	35.6 Å²	35.6	9%	0.094	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	148.9	-178.7	-61.7	-176.4	0	0	0	112.2	A536 G545 V547	L306-A536 HydrophobicContact CD2-CB 3.84Å; L306-A536 WeakPolarHBondContact CD2-O 3.17Å; L306-G545 CarbonylContact C-O 3.59Å; L306-G545 WeakPolarHBondContact CA-O 3.08Å; L306-V547 HydrophobicContact CD1-CG2 4.32Å; L306-V547 HydrophobicContact CD2-CG2 4.42Å
307	Q	94.5	Very high	87.6	Confident	25 Å²	25	36.7 Å²	36.7	12%	0.117	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.9	167	-71	-175.9	-32.2	0	0	109	Y309 L320 T324 R544 G545 V547	Q307-Y309 HydrophobicContact CB-CD2 4.4Å; Q307-Y309 HydrophobicContact CB-CE2 3.81Å; Q307-L320 HydrophobicContact CB-CD1 3.84Å; Q307-L320 HydrophobicContact CG-CD1 4.27Å; Q307-T324 HydrophobicContact CG-CG2 3.79Å; Q307-R544 VanDerWaalsContact OE1-NE 3.12Å; Q307-G545 PolarHBondContact N-O 3.14Å; Q307-V547 PolarHBondContact O-N 3.24Å
308	H	94	Very high	87.3	Confident	11 Å²	11	39 Å²	39	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.5	178.2	-52.6	-109.6	0	0	0	110.6	V321 Y322 F529 V547 I564	H308-V321 HydrophobicContact CB-CG2 4.4Å; H308-V321 WeakPolarHBondContact O-CG2 3.5Å; H308-V321 PolarHBondContact O-N 3.47Å; H308-Y322 AromaticContact CD2-CD1 3.47Å; H308-Y322 VanDerWaalsContact CD2-CD1 3.47Å; H308-Y322 WeakPolarHBondContact CD2-CD1 3.44Å; H308-Y322 AromaticContact CD2-CG 3.92Å; H308-Y322 PolarHBondContact N-O 3.08Å; H308-Y322 VanDerWaalsContact N-O 3.07Å; H308-Y322 PolarHBondContact O-N 3.29Å; H308-Y322 VanDerWaalsContact O-N 3.11Å; H308-F529 AromaticContact CE1-CE1 3.6Å; H308-F529 AromaticContact CE1-CZ 3.93Å; H308-F529 AromaticContact ND1-CE1 3.52Å; H308-F529 AromaticContact ND1-CZ 3.43Å; H308-F529 WeakPolarHBondContact ND1-CZ 3.42Å; H308-V547 CarbonylContact C-O 3.59Å; H308-V547 WeakPolarHBondContact CA-O 3.45Å; H308-V547 HydrophobicContact CB-CB 4.46Å; H308-V547 WeakPolarHBondContact ND1-CB 3.33Å; H308-I564 HydrophobicContact CB-CG2 4.25Å
309	Y	93.2	Very high	87.2	Confident	41 Å²	41	41 Å²	41	16%	0.161	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.4	178.1	-69.9	-101.6	0	0	0	110	Q307 I318 Y319 L320 L546 V547 I548 L549	Q307-Y309 HydrophobicContact CB-CD2 4.4Å; Q307-Y309 HydrophobicContact CB-CE2 3.81Å; Y309-I318 HydrophobicContact CD1-CB 4.07Å; Y309-I318 HydrophobicContact CD1-CD1 3.72Å; Y309-I318 HydrophobicContact CD1-CG1 3.78Å; Y309-I318 HydrophobicContact CE1-CD1 4.02Å; Y309-I318 HydrophobicContact CE1-CG1 4.22Å; Y309-I318 HydrophobicContact CG-CD1 4.18Å; Y309-Y319 CarbonylContact C-O 3.51Å; Y309-Y319 WeakPolarHBondContact CA-O 3.33Å; Y309-L320 HydrophobicContact CD1-CB 3.95Å; Y309-L320 HydrophobicContact CD1-CD1 4.44Å; Y309-L320 HydrophobicContact CD2-CD1 4.07Å; Y309-L320 HydrophobicContact CE1-CB 3.67Å; Y309-L320 HydrophobicContact CE1-CD1 4.09Å; Y309-L320 HydrophobicContact CE1-CG 4.47Å; Y309-L320 HydrophobicContact CE2-CD1 3.66Å; Y309-L320 HydrophobicContact CG-CD1 4.43Å; Y309-L546 HydrophobicContact CD2-CD2 4.44Å; Y309-L546 HydrophobicContact CE2-CD2 3.81Å; Y309-L546 HydrophobicContact CE2-CG 4.19Å; Y309-V547 PolarHBondContact N-O 2.82Å; Y309-I548 WeakPolarHBondContact O-CA 3.38Å; Y309-L549 PolarHBondContact O-N 3.4Å
310	V	90.5	Very high	87.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132	169.3	169.7	0	0	0	0	109.2	Y319 V321 F333 A336 L549 I551	V310-Y319 PolarHBondContact N-O 3.1Å; V310-Y319 PolarHBondContact O-N 3.42Å; V310-V321 HydrophobicContact CB-CG1 4.11Å; V310-V321 HydrophobicContact CG2-CB 4.44Å; V310-V321 HydrophobicContact CG2-CG1 3.82Å; V310-V321 HydrophobicContact CG2-CG2 3.78Å; V310-F333 HydrophobicContact CG2-CD2 4.15Å; V310-F333 HydrophobicContact CG2-CE2 4.33Å; V310-A336 HydrophobicContact CB-CB 4.43Å; V310-A336 HydrophobicContact CG1-CB 3.93Å; V310-L549 WeakPolarHBondContact CA-O 3.33Å; V310-I551 HydrophobicContact CG1-CD1 3.45Å; V310-I551 VanDerWaalsContact CG1-CD1 3.45Å; V310-I551 HydrophobicContact CG1-CG1 3.76Å; V310-I551 HydrophobicContact CG1-CG2 4.45Å
311	Y	89.8	Confident	87.5	Confident	11 Å²	11	37 Å²	37	4%	0.043	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	107	171.2	178.1	-111.5	0	0	0	109.6	M313 G314 G315 I318 N366 V370 L549 A550 I551	Y311-M313 HydrophobicContact CE1-CG 4.47Å; Y311-M313 PolarHBondContact O-N 2.97Å; Y311-G314 PolarHBondContact OH-N 3.26Å; Y311-G315 VanDerWaalsContact CE2-O 3.28Å; Y311-G315 WeakPolarHBondContact CE2-O 3.34Å; Y311-G315 PolarHBondContact OH-O 2.58Å; Y311-G315 VanDerWaalsContact OH-O 3.07Å; Y311-I318 HydrophobicContact CD2-CG2 3.91Å; Y311-I318 HydrophobicContact CG-CG2 4.4Å; Y311-N366 HydrophobicContact CE1-CB 4.18Å; Y311-V370 HydrophobicContact CD1-CG2 3.44Å; Y311-V370 VanDerWaalsContact CD1-CG2 3.44Å; Y311-V370 HydrophobicContact CD2-CG2 3.78Å; Y311-V370 HydrophobicContact CE1-CG2 3.4Å; Y311-V370 VanDerWaalsContact CE1-CG2 3.4Å; Y311-V370 HydrophobicContact CE2-CG2 3.77Å; Y311-V370 HydrophobicContact CG-CG2 3.63Å; Y311-L549 PolarHBondContact N-O 2.76Å; Y311-A550 HydrophobicContact CD1-CB 4.23Å; Y311-A550 WeakPolarHBondContact O-CA 3.41Å; Y311-I551 PolarHBondContact O-N 3.08Å
312	P	86.6	Confident	87.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	120	170.7	28.5	-30.8	0	0	0	109.3	G314 G315 Y319 A336 T339 F340	P312-G314 PolarHBondContact O-N 3Å; P312-G314 VanDerWaalsContact O-N 3.1Å; P312-G315 PolarHBondContact O-N 3.46Å; P312-Y319 HydrophobicContact CG-CD2 4.25Å; P312-Y319 HydrophobicContact CG-CE2 3.82Å; P312-A336 WeakPolarHBondContact CB-O 3.27Å; P312-A336 HydrophobicContact CG-CB 4.44Å; P312-T339 HydrophobicContact CG-CG2 4.27Å; P312-F340 HydrophobicContact CB-CD2 4.37Å; P312-F340 HydrophobicContact CB-CE1 4.45Å; P312-F340 HydrophobicContact CB-CE2 3.5Å; P312-F340 VanDerWaalsContact CB-CE2 3.5Å; P312-F340 HydrophobicContact CB-CZ 3.53Å
313	M	79.9	Confident	88.2	Confident	32 Å²	32	32.4 Å²	32.4	16%	0.158	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	119.4	-174.7	-77.2	-168.3	91.9	0	0	112.1	Y311 G315 N363 N366 A550 I551 D552	Y311-M313 HydrophobicContact CE1-CG 4.47Å; Y311-M313 PolarHBondContact O-N 2.97Å; M313-G315 VanDerWaalsContact C-N 3.34Å; M313-N363 HydrophobicContact CE-CB 3.97Å; M313-N366 HydrophobicContact CE-CB 4.37Å; M313-A550 HydrophobicContact CG-CB 4.37Å; M313-I551 WeakPolarHBondContact CB-O 3.36Å; M313-I551 VanDerWaalsContact CG-O 3.29Å; M313-I551 WeakPolarHBondContact CG-O 3.49Å; M313-I551 PolarHBondContact N-O 2.99Å; M313-D552 HydrophobicContact SD-CB 3.82Å
314	G	76	Confident	88.2	Confident	9 Å²	9	32.9 Å²	32.9	9%	0.093	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-1.2	-178.2	0	0	0	0	0	114.4	Y311 P312 R343 N366	Y311-G314 PolarHBondContact OH-N 3.26Å; P312-G314 PolarHBondContact O-N 3Å; P312-G314 VanDerWaalsContact O-N 3.1Å; G314-R343 VanDerWaalsContact C-NH1 3.27Å; G314-R343 PolarHBondContact O-NH1 3.18Å; G314-R343 PolarHBondContact O-NH2 2.89Å; G314-N366 PolarHBondContact N-ND2 3.14Å
315	G	77.4	Confident	87.8	Confident	5 Å²	5	38.5 Å²	38.5	5%	0.052	21%	0.206	C	C	.	.			trans	-72.9	163.9	164.7	0	0	0	0	0	112.1	Y311 P312 M313	Y311-G315 VanDerWaalsContact CE2-O 3.28Å; Y311-G315 WeakPolarHBondContact CE2-O 3.34Å; Y311-G315 PolarHBondContact OH-O 2.58Å; Y311-G315 VanDerWaalsContact OH-O 3.07Å; P312-G315 PolarHBondContact O-N 3.46Å; M313-G315 VanDerWaalsContact C-N 3.34Å
316	D	76.9	Confident	87.4	Confident	167 Å²	167	37.4 Å²	37.4	89%	0.893	20%	0.204	S	C	*	.	S	Bend	trans	-90.2	3.3	-170.6	-52.1	-45.6	0	0	0	113.9
317	G	83.8	Confident	87.1	Confident	26 Å²	26	40.8 Å²	40.8	27%	0.268	23%	0.225	S	C	.	.	S	Bend	trans	-163.9	169.6	-175.8	0	0	0	0	0	115.1
318	I	90.2	Very high	86.8	Confident	50 Å²	50	40.6 Å²	40.6	26%	0.256	22%	0.224	S	C	.	.			trans	-105	139.2	177.7	60	175.3	0	0	0	110.9	Y309 Y311 L373 I548	Y309-I318 HydrophobicContact CD1-CB 4.07Å; Y309-I318 HydrophobicContact CD1-CD1 3.72Å; Y309-I318 HydrophobicContact CD1-CG1 3.78Å; Y309-I318 HydrophobicContact CE1-CD1 4.02Å; Y309-I318 HydrophobicContact CE1-CG1 4.22Å; Y309-I318 HydrophobicContact CG-CD1 4.18Å; Y311-I318 HydrophobicContact CD2-CG2 3.91Å; Y311-I318 HydrophobicContact CG-CG2 4.4Å; I318-L373 HydrophobicContact CD1-CD2 4.45Å; I318-L373 HydrophobicContact CG2-CD2 4.46Å; I318-I548 HydrophobicContact CD1-CD1 4.41Å; I318-I548 HydrophobicContact CG2-CG2 4.44Å
319	Y	91.4	Very high	86.6	Confident	62 Å²	62	43.2 Å²	43.2	24%	0.243	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	115.7	-174.9	-63.4	-100.9	0	0	0	109.9	Y309 V310 P312 V321 Q335 A336	Y309-Y319 CarbonylContact C-O 3.51Å; Y309-Y319 WeakPolarHBondContact CA-O 3.33Å; V310-Y319 PolarHBondContact N-O 3.1Å; V310-Y319 PolarHBondContact O-N 3.42Å; P312-Y319 HydrophobicContact CG-CD2 4.25Å; P312-Y319 HydrophobicContact CG-CE2 3.82Å; Y319-V321 PolarHBondContact O-N 3.5Å; Y319-V321 VanDerWaalsContact O-N 3.16Å; Y319-Q335 HydrophobicContact CD1-CB 4.24Å; Y319-Q335 HydrophobicContact CE1-CB 4.05Å; Y319-A336 HydrophobicContact CD1-CB 4.3Å; Y319-A336 HydrophobicContact CD2-CB 3.58Å; Y319-A336 HydrophobicContact CE2-CB 4.1Å; Y319-A336 HydrophobicContact CG-CB 3.71Å
320	L	93.2	Very high	86.3	Confident	33 Å²	33	45.4 Å²	45.4	17%	0.173	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	112.1	174.1	179	73.7	0	0	0	109.3	Q307 Y309 Y322 R332	Q307-L320 HydrophobicContact CB-CD1 3.84Å; Q307-L320 HydrophobicContact CG-CD1 4.27Å; Y309-L320 HydrophobicContact CD1-CB 3.95Å; Y309-L320 HydrophobicContact CD1-CD1 4.44Å; Y309-L320 HydrophobicContact CD2-CD1 4.07Å; Y309-L320 HydrophobicContact CE1-CB 3.67Å; Y309-L320 HydrophobicContact CE1-CD1 4.09Å; Y309-L320 HydrophobicContact CE1-CG 4.47Å; Y309-L320 HydrophobicContact CE2-CD1 3.66Å; Y309-L320 HydrophobicContact CG-CD1 4.43Å; L320-Y322 VanDerWaalsContact CD1-O 3.27Å; L320-Y322 WeakPolarHBondContact CD1-O 3.5Å; L320-R332 WeakPolarHBondContact O-CB 3.46Å; L320-R332 WeakPolarHBondContact O-CD 3.33Å
321	V	92.2	Very high	86.2	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-16.8	-179.6	-62.4	0	0	0	0	113.3	H308 V310 Y319 F328 N329 F333 I564	H308-V321 HydrophobicContact CB-CG2 4.4Å; H308-V321 WeakPolarHBondContact O-CG2 3.5Å; H308-V321 PolarHBondContact O-N 3.47Å; V310-V321 HydrophobicContact CB-CG1 4.11Å; V310-V321 HydrophobicContact CG2-CB 4.44Å; V310-V321 HydrophobicContact CG2-CG1 3.82Å; V310-V321 HydrophobicContact CG2-CG2 3.78Å; Y319-V321 PolarHBondContact O-N 3.5Å; Y319-V321 VanDerWaalsContact O-N 3.16Å; V321-F328 HydrophobicContact CB-CD2 4.25Å; V321-F328 HydrophobicContact CB-CE2 3.82Å; V321-F328 HydrophobicContact CG2-CD2 4.48Å; V321-F328 HydrophobicContact CG2-CE2 4Å; V321-F328 CarbonylContact O-C 3.6Å; V321-F328 VanDerWaalsContact O-CA 3.28Å; V321-F328 WeakPolarHBondContact O-CA 3.42Å; V321-F328 WeakPolarHBondContact O-CD2 3.47Å; V321-N329 PolarHBondContact O-N 3.06Å; V321-F333 HydrophobicContact CG1-CB 3.95Å; V321-F333 HydrophobicContact CG1-CD2 4.26Å; V321-I564 HydrophobicContact CG2-CD1 3.82Å
322	Y	90.9	Very high	86.1	Confident	51 Å²	51	53.5 Å²	53.5	20%	0.2	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.6	175.2	-176.2	-84.3	0	0	0	110	H308 L320 G326 V327 F328 I564 M565	H308-Y322 AromaticContact CD2-CD1 3.47Å; H308-Y322 VanDerWaalsContact CD2-CD1 3.47Å; H308-Y322 WeakPolarHBondContact CD2-CD1 3.44Å; H308-Y322 AromaticContact CD2-CG 3.92Å; H308-Y322 PolarHBondContact N-O 3.08Å; H308-Y322 VanDerWaalsContact N-O 3.07Å; H308-Y322 PolarHBondContact O-N 3.29Å; H308-Y322 VanDerWaalsContact O-N 3.11Å; L320-Y322 VanDerWaalsContact CD1-O 3.27Å; L320-Y322 WeakPolarHBondContact CD1-O 3.5Å; Y322-G326 WeakPolarHBondContact CE2-O 3.25Å; Y322-G326 WeakPolarHBondContact OH-CA 3.46Å; Y322-V327 WeakPolarHBondContact CA-O 3.37Å; Y322-F328 HydrophobicContact CD2-CB 4.43Å; Y322-I564 HydrophobicContact CD2-CG2 3.89Å; Y322-I564 HydrophobicContact CG-CG2 4.07Å; Y322-M565 HydrophobicContact CD2-CG 4.11Å; Y322-M565 HydrophobicContact CE2-CE 4.27Å; Y322-M565 HydrophobicContact CE2-CG 3.95Å
323	N	90.7	Very high	86.1	Confident	40 Å²	40	53.6 Å²	53.6	21%	0.214	29%	0.291	C	S	.	.			trans	-90.4	174.9	180	67.3	-11.3	0	0	0	112.5	D325 G326 V327	N323-D325 PolarHBondContact ND2-OD2 2.7Å; N323-D325 PolarHBondContact O-N 3.3Å; N323-D325 PolarHBondContact OD1-N 3.21Å; N323-G326 PolarHBondContact O-N 2.89Å; N323-G326 PolarHBondContact OD1-N 3.37Å; N323-V327 PolarHBondContact N-O 3.16Å; N323-V327 WeakPolarHBondContact OD1-CA 3.44Å; N323-V327 WeakPolarHBondContact OD1-CB 3.27Å; N323-V327 PolarHBondContact OD1-N 3.16Å; N323-V327 PolarHBondContact OD1-O 2.8Å
324	T	86	Confident	86.4	Confident	56 Å²	56	55.8 Å²	55.8	34%	0.344	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.9	176.6	45.5	0	0	0	0	114.1	P305 Q307	P305-T324 HydrophobicContact CB-CG2 3.92Å; P305-T324 HydrophobicContact CG-CG2 4.07Å; Q307-T324 HydrophobicContact CG-CG2 3.79Å
325	D	82.8	Confident	86.9	Confident	123 Å²	123	59.4 Å²	59.4	66%	0.658	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	2.9	-173.6	-37.1	-45.3	0	0	0	112.4	N323	N323-D325 PolarHBondContact ND2-OD2 2.7Å; N323-D325 PolarHBondContact O-N 3.3Å; N323-D325 PolarHBondContact OD1-N 3.21Å
326	G	82.5	Confident	87.2	Confident	25 Å²	25	59.1 Å²	59.1	26%	0.258	32%	0.316	S	S	.	.	S	Bend	trans	90	11	176.2	0	0	0	0	0	115.9	Y322 N323 M565	Y322-G326 WeakPolarHBondContact CE2-O 3.25Å; Y322-G326 WeakPolarHBondContact OH-CA 3.46Å; N323-G326 PolarHBondContact O-N 2.89Å; N323-G326 PolarHBondContact OD1-N 3.37Å; G326-M565 WeakPolarHBondContact O-CE 3.4Å
327	V	87.6	Confident	87.4	Confident	88 Å²	88	52.2 Å²	52.2	53%	0.533	28%	0.279	S	S	.	.			trans	-103.7	124	-170.9	-174	0	0	0	0	111.6	Y322 N323	Y322-V327 WeakPolarHBondContact CA-O 3.37Å; N323-V327 PolarHBondContact N-O 3.16Å; N323-V327 WeakPolarHBondContact OD1-CA 3.44Å; N323-V327 WeakPolarHBondContact OD1-CB 3.27Å; N323-V327 PolarHBondContact OD1-N 3.16Å; N323-V327 PolarHBondContact OD1-O 2.8Å
328	F	87.9	Confident	87.1	Confident	22 Å²	22	56.2 Å²	56.2	10%	0.096	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-86	130.5	173	-175.8	-107	0	0	0	112.4	V321 Y322 E330 F333 A560 K561 I564 M565	V321-F328 HydrophobicContact CB-CD2 4.25Å; V321-F328 HydrophobicContact CB-CE2 3.82Å; V321-F328 HydrophobicContact CG2-CD2 4.48Å; V321-F328 HydrophobicContact CG2-CE2 4Å; V321-F328 CarbonylContact O-C 3.6Å; V321-F328 VanDerWaalsContact O-CA 3.28Å; V321-F328 WeakPolarHBondContact O-CA 3.42Å; V321-F328 WeakPolarHBondContact O-CD2 3.47Å; Y322-F328 HydrophobicContact CD2-CB 4.43Å; F328-E330 HydrophobicContact CD1-CG 3.67Å; F328-E330 HydrophobicContact CE1-CG 3.65Å; F328-F333 HydrophobicContact CE1-CB 4.49Å; F328-F333 HydrophobicContact CZ-CB 3.96Å; F328-F333 HydrophobicContact CZ-CD2 4.18Å; F328-F333 HydrophobicContact CZ-CG 4.03Å; F328-A560 HydrophobicContact CZ-CB 4.29Å; F328-K561 HydrophobicContact CD1-CB 4.14Å; F328-K561 HydrophobicContact CD1-CD 4.14Å; F328-K561 HydrophobicContact CD1-CG 3.93Å; F328-K561 HydrophobicContact CE1-CB 3.9Å; F328-K561 HydrophobicContact CE1-CD 4.45Å; F328-K561 HydrophobicContact CE1-CG 4.21Å; F328-K561 HydrophobicContact CG-CG 4.45Å; F328-K561 HydrophobicContact CZ-CB 4.36Å; F328-I564 HydrophobicContact CE2-CD1 3.91Å; F328-M565 HydrophobicContact CB-CG 4.11Å; F328-M565 HydrophobicContact CB-SD 3.34Å; F328-M565 WeakPolarHBondContact CB-SD 3.43Å; F328-M565 HydrophobicContact CG-SD 4.26Å
329	N	90	Very high	86.5	Confident	65 Å²	65	55.5 Å²	55.5	35%	0.348	29%	0.289	S	S	.	.			trans	-103.3	88.3	-177	-169.1	-41	0	0	0	110.9	V321 S331 R332 F333	V321-N329 PolarHBondContact O-N 3.06Å; N329-S331 PolarHBondContact O-N 3.15Å; N329-S331 WeakPolarHBondContact OD1-CB 3.46Å; N329-S331 PolarHBondContact OD1-N 3.44Å; N329-R332 HydrophobicContact CB-CB 4.32Å; N329-R332 PolarHBondContact O-N 3.31Å; N329-R332 PolarHBondContact OD1-N 3.32Å; N329-F333 PolarHBondContact O-N 2.58Å
330	E	87	Confident	85.3	Confident	88 Å²	88	54 Å²	54	41%	0.411	28%	0.284	S	S	.	.	H	α-helix	trans	-57.8	-32.7	178.5	-71.7	174.4	-164.5	0	0	113	F328 F333 N334 K561	F328-E330 HydrophobicContact CD1-CG 3.67Å; F328-E330 HydrophobicContact CE1-CG 3.65Å; E330-F333 PolarHBondContact O-N 2.84Å; E330-N334 WeakPolarHBondContact O-CB 3.28Å; E330-N334 PolarHBondContact O-N 2.85Å; E330-N334 PolarHBondContact O-ND2 2.82Å; E330-K561 IonicContact OE1-NZ 2.71Å; E330-K561 PolarHBondContact OE1-NZ 2.83Å
331	S	88.2	Confident	83.7	Confident	71 Å²	71	55.7 Å²	55.7	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-45.4	177.1	-178.5	0	0	0	0	111.9	N329 N334 Q335	N329-S331 PolarHBondContact O-N 3.15Å; N329-S331 WeakPolarHBondContact OD1-CB 3.46Å; N329-S331 PolarHBondContact OD1-N 3.44Å; S331-N334 PolarHBondContact O-N 2.82Å; S331-Q335 VanDerWaalsContact O-CG 3.27Å; S331-Q335 WeakPolarHBondContact O-CG 3.41Å; S331-Q335 PolarHBondContact O-N 3Å; S331-Q335 PolarHBondContact O-NE2 2.9Å; S331-Q335 PolarHBondContact OG-NE2 2.88Å
332	R	88	Confident	82.1	Confident	110 Å²	110	59.9 Å²	59.9	42%	0.415	33%	0.325	S	S	.	.	H	α-helix	trans	-69.4	-34.1	175.6	-77.1	-171.7	168.7	-178.9	-2.2	112.8	L320 N329 Q335 A336	L320-R332 WeakPolarHBondContact O-CB 3.46Å; L320-R332 WeakPolarHBondContact O-CD 3.33Å; N329-R332 HydrophobicContact CB-CB 4.32Å; N329-R332 PolarHBondContact O-N 3.31Å; N329-R332 PolarHBondContact OD1-N 3.32Å; R332-Q335 PolarHBondContact O-N 3.01Å; R332-A336 PolarHBondContact O-N 2.92Å; R332-A336 VanDerWaalsContact O-N 3.11Å
333	F	86	Confident	80.3	Confident	1 Å²	1	65.1 Å²	65.1	0%	0.004	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-48.4	171.5	-178.7	-95.4	0	0	0	111.3	V310 V321 F328 N329 E330 Q335 A336 V337 M555 A560	V310-F333 HydrophobicContact CG2-CD2 4.15Å; V310-F333 HydrophobicContact CG2-CE2 4.33Å; V321-F333 HydrophobicContact CG1-CB 3.95Å; V321-F333 HydrophobicContact CG1-CD2 4.26Å; F328-F333 HydrophobicContact CE1-CB 4.49Å; F328-F333 HydrophobicContact CZ-CB 3.96Å; F328-F333 HydrophobicContact CZ-CD2 4.18Å; F328-F333 HydrophobicContact CZ-CG 4.03Å; N329-F333 PolarHBondContact O-N 2.58Å; E330-F333 PolarHBondContact O-N 2.84Å; F333-Q335 VanDerWaalsContact C-N 3.31Å; F333-Q335 PolarHBondContact O-N 2.82Å; F333-A336 WeakPolarHBondContact O-CB 3.47Å; F333-A336 PolarHBondContact O-N 3.29Å; F333-A336 VanDerWaalsContact O-N 3.1Å; F333-V337 HydrophobicContact CD1-CG2 4.11Å; F333-V337 HydrophobicContact CE1-CG2 3.54Å; F333-V337 HydrophobicContact CE2-CG2 4.27Å; F333-V337 HydrophobicContact CZ-CG2 3.63Å; F333-V337 PolarHBondContact O-N 2.63Å; F333-M555 WeakPolarHBondContact CE1-O 3.47Å; F333-M555 HydrophobicContact CZ-CB 4.26Å; F333-M555 HydrophobicContact CZ-CG 4.36Å; F333-A560 HydrophobicContact CD2-CB 3.81Å; F333-A560 HydrophobicContact CE1-CB 4.13Å; F333-A560 HydrophobicContact CE2-CB 3.19Å; F333-A560 HydrophobicContact CG-CB 4.5Å; F333-A560 HydrophobicContact CZ-CB 3.39Å
334	N	85.9	Confident	78.2	Confident	78 Å²	78	67.4 Å²	67.4	42%	0.417	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-37.2	178.4	-71.7	-26.1	0	0	0	112.2	E330 S331 V337 Q338	E330-N334 WeakPolarHBondContact O-CB 3.28Å; E330-N334 PolarHBondContact O-N 2.85Å; E330-N334 PolarHBondContact O-ND2 2.82Å; S331-N334 PolarHBondContact O-N 2.82Å; N334-V337 PolarHBondContact O-N 2.85Å; N334-Q338 WeakPolarHBondContact O-CB 3.32Å; N334-Q338 VanDerWaalsContact O-CG 3.25Å; N334-Q338 WeakPolarHBondContact O-CG 3.32Å; N334-Q338 PolarHBondContact O-N 3.31Å
335	Q	85.7	Confident	75.6	Confident	85 Å²	85	70.4 Å²	70.4	40%	0.397	38%	0.377	S	S	.	.	H	α-helix	trans	-60.5	-44.5	171.9	-72.4	165.5	37.3	0	0	112	Y319 S331 R332 F333 V337 Q338 T339	Y319-Q335 HydrophobicContact CD1-CB 4.24Å; Y319-Q335 HydrophobicContact CE1-CB 4.05Å; S331-Q335 VanDerWaalsContact O-CG 3.27Å; S331-Q335 WeakPolarHBondContact O-CG 3.41Å; S331-Q335 PolarHBondContact O-N 3Å; S331-Q335 PolarHBondContact O-NE2 2.9Å; S331-Q335 PolarHBondContact OG-NE2 2.88Å; R332-Q335 PolarHBondContact O-N 3.01Å; F333-Q335 VanDerWaalsContact C-N 3.31Å; F333-Q335 PolarHBondContact O-N 2.82Å; Q335-V337 VanDerWaalsContact C-N 3.34Å; Q335-V337 PolarHBondContact O-N 3.21Å; Q335-Q338 PolarHBondContact O-N 2.86Å; Q335-T339 PolarHBondContact O-N 2.93Å; Q335-T339 PolarHBondContact O-OG1 3.36Å
336	A	83.8	Confident	73.4	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-63.3	-38.4	176.5	0	0	0	0	0	112.5	V310 P312 Y319 R332 F333 T339	V310-A336 HydrophobicContact CB-CB 4.43Å; V310-A336 HydrophobicContact CG1-CB 3.93Å; P312-A336 WeakPolarHBondContact CB-O 3.27Å; P312-A336 HydrophobicContact CG-CB 4.44Å; Y319-A336 HydrophobicContact CD1-CB 4.3Å; Y319-A336 HydrophobicContact CD2-CB 3.58Å; Y319-A336 HydrophobicContact CE2-CB 4.1Å; Y319-A336 HydrophobicContact CG-CB 3.71Å; R332-A336 PolarHBondContact O-N 2.92Å; R332-A336 VanDerWaalsContact O-N 3.11Å; F333-A336 WeakPolarHBondContact O-CB 3.47Å; F333-A336 PolarHBondContact O-N 3.29Å; F333-A336 VanDerWaalsContact O-N 3.1Å; A336-T339 WeakPolarHBondContact O-CB 3.22Å; A336-T339 PolarHBondContact O-N 3.47Å; A336-T339 PolarHBondContact O-OG1 2.89Å
337	V	80.8	Confident	71	Confident	21 Å²	21	77.5 Å²	77.5	13%	0.127	41%	0.408	C	S	.	.	H	α-helix	trans	-71.6	-34.3	176.8	178.4	0	0	0	0	111.8	F333 N334 Q335 T339 F340 I551 M554	F333-V337 HydrophobicContact CD1-CG2 4.11Å; F333-V337 HydrophobicContact CE1-CG2 3.54Å; F333-V337 HydrophobicContact CE2-CG2 4.27Å; F333-V337 HydrophobicContact CZ-CG2 3.63Å; F333-V337 PolarHBondContact O-N 2.63Å; N334-V337 PolarHBondContact O-N 2.85Å; Q335-V337 VanDerWaalsContact C-N 3.34Å; Q335-V337 PolarHBondContact O-N 3.21Å; V337-T339 PolarHBondContact O-N 3.06Å; V337-F340 WeakPolarHBondContact O-CB 3.39Å; V337-F340 WeakPolarHBondContact O-CD2 3.26Å; V337-F340 PolarHBondContact O-N 2.73Å; V337-F340 VanDerWaalsContact O-N 3.08Å; V337-I551 HydrophobicContact CG2-CD1 4.3Å; V337-M554 HydrophobicContact CG1-CB 4.27Å; V337-M554 HydrophobicContact CG1-CG 4.06Å
338	Q	78.8	Confident	68.4	Low	111 Å²	111	82.2 Å²	82.2	52%	0.519	43%	0.429	S	S	.	.	H	α-helix	trans	-62.3	-26.7	176.6	-78.3	171.3	18.9	0	0	113	N334 Q335 F340 T341 S342	N334-Q338 WeakPolarHBondContact O-CB 3.32Å; N334-Q338 VanDerWaalsContact O-CG 3.25Å; N334-Q338 WeakPolarHBondContact O-CG 3.32Å; N334-Q338 PolarHBondContact O-N 3.31Å; Q335-Q338 PolarHBondContact O-N 2.86Å; Q338-F340 PolarHBondContact O-N 3.17Å; Q338-F340 VanDerWaalsContact O-N 3.14Å; Q338-T341 WeakPolarHBondContact CA-OG1 3.48Å; Q338-T341 PolarHBondContact O-N 3.24Å; Q338-T341 PolarHBondContact O-OG1 3.04Å; Q338-S342 PolarHBondContact O-N 3.33Å; Q338-S342 PolarHBondContact O-OG 3.33Å
339	T	76.2	Confident	65.6	Low	34 Å²	34	85 Å²	85	21%	0.209	46%	0.463	C	S	.	.	H	α-helix	trans	-56.3	-28.8	173.2	-49.8	0	0	0	0	112.7	P312 Q335 A336 V337	P312-T339 HydrophobicContact CG-CG2 4.27Å; Q335-T339 PolarHBondContact O-N 2.93Å; Q335-T339 PolarHBondContact O-OG1 3.36Å; A336-T339 WeakPolarHBondContact O-CB 3.22Å; A336-T339 PolarHBondContact O-N 3.47Å; A336-T339 PolarHBondContact O-OG1 2.89Å; V337-T339 PolarHBondContact O-N 3.06Å
340	F	67.8	Low	62.9	Low	32 Å²	32	86.2 Å²	86.2	14%	0.14	48%	0.483	C	S	.	.	H	α-helix	trans	-75.7	-38.7	170.8	-61.2	-75.6	0	0	0	113.2	P312 V337 Q338 R343 S344 I551 M554	P312-F340 HydrophobicContact CB-CD2 4.37Å; P312-F340 HydrophobicContact CB-CE1 4.45Å; P312-F340 HydrophobicContact CB-CE2 3.5Å; P312-F340 VanDerWaalsContact CB-CE2 3.5Å; P312-F340 HydrophobicContact CB-CZ 3.53Å; V337-F340 WeakPolarHBondContact O-CB 3.39Å; V337-F340 WeakPolarHBondContact O-CD2 3.26Å; V337-F340 PolarHBondContact O-N 2.73Å; V337-F340 VanDerWaalsContact O-N 3.08Å; Q338-F340 PolarHBondContact O-N 3.17Å; Q338-F340 VanDerWaalsContact O-N 3.14Å; F340-R343 PolarHBondContact O-N 3.28Å; F340-S344 PolarHBondContact O-N 3.04Å; F340-S344 PolarHBondContact O-OG 2.67Å; F340-I551 HydrophobicContact CE2-CD1 3.76Å; F340-I551 HydrophobicContact CE2-CG1 3.83Å; F340-I551 HydrophobicContact CZ-CD1 4.42Å; F340-I551 HydrophobicContact CZ-CG1 3.98Å; F340-I551 VanDerWaalsContact CZ-O 3.26Å; F340-I551 WeakPolarHBondContact CZ-O 3.41Å; F340-M554 HydrophobicContact CB-CE 3.64Å; F340-M554 HydrophobicContact CB-CG 4.2Å
341	T	59.7	Low	60.4	Low	68 Å²	68	88.1 Å²	88.1	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-42.5	177.6	50.4	0	0	0	0	111.9	Q338 R343 S344 M554	Q338-T341 WeakPolarHBondContact CA-OG1 3.48Å; Q338-T341 PolarHBondContact O-N 3.24Å; Q338-T341 PolarHBondContact O-OG1 3.04Å; T341-R343 PolarHBondContact O-N 3.06Å; T341-S344 WeakPolarHBondContact O-CB 3.32Å; T341-S344 PolarHBondContact O-N 3.45Å; T341-M554 HydrophobicContact CG2-CE 3.38Å; T341-M554 HydrophobicContact CG2-SD 4.16Å
342	S	56.9	Low	57.8	Low	89 Å²	89	93.9 Å²	93.9	62%	0.622	52%	0.522	S	S	*	.	H	α-helix	trans	-63.6	-28.4	-176.9	-58.3	0	0	0	0	113.2	Q338	Q338-S342 PolarHBondContact O-N 3.33Å; Q338-S342 PolarHBondContact O-OG 3.33Å
343	R	54.3	Low	55	Low	161 Å²	161	101 Å²	101	61%	0.608	55%	0.549	S	S	*	.	H	α-helix	trans	-80.5	-15.5	173.6	-73.9	-172.7	166.7	172.3	2.6	114.6	G314 F340 T341 N345	G314-R343 VanDerWaalsContact C-NH1 3.27Å; G314-R343 PolarHBondContact O-NH1 3.18Å; G314-R343 PolarHBondContact O-NH2 2.89Å; F340-R343 PolarHBondContact O-N 3.28Å; T341-R343 PolarHBondContact O-N 3.06Å; R343-N345 VanDerWaalsContact C-N 3.28Å; R343-N345 PolarHBondContact O-N 2.94Å
344	S	45.6	Very low	52.4	Low	87 Å²	87	104 Å²	104	61%	0.608	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-0.5	-179	-56.1	0	0	0	0	113.1	F340 T341 P346	F340-S344 PolarHBondContact O-N 3.04Å; F340-S344 PolarHBondContact O-OG 2.67Å; T341-S344 WeakPolarHBondContact O-CB 3.32Å; T341-S344 PolarHBondContact O-N 3.45Å; S344-P346 WeakPolarHBondContact O-CD 3.41Å
345	N	31.9	Very low	49.9	Very low	119 Å²	119	112.5 Å²	112.5	64%	0.636	61%	0.606	S	S	*	*			trans	-122.1	82.7	-169.3	-142.9	-3.4	0	0	0	111.2	R343 K347	R343-N345 VanDerWaalsContact C-N 3.28Å; R343-N345 PolarHBondContact O-N 2.94Å; N345-K347 PolarHBondContact O-N 3.3Å
346	P	36.8	Very low	47.2	Very low	124 Å²	124	120.2 Å²	120.2	81%	0.805	63%	0.632	S	S	*	*			trans	-76.8	85.5	-179.3	32.1	-34.7	0	0	0	110.7	S344	S344-P346 WeakPolarHBondContact O-CD 3.41Å
347	K	32.3	Very low	44.6	Very low	173 Å²	173	124.3 Å²	124.3	75%	0.752	67%	0.674	S	S	*	*			trans	-108	123.9	160.8	-73.9	-170.5	176.2	-177.4	0	108.9	N345	N345-K347 PolarHBondContact O-N 3.3Å
348	L	32.9	Very low	42	Very low	188 Å²	188	126.4 Å²	126.4	98%	0.984	70%	0.7	S	S	*	*	S	Bend	trans	90.4	102.9	-175.8	-58.6	148.1	0	0	0	114.9
349	G	29.6	Very low	39.7	Very low	79 Å²	79	127.3 Å²	127.3	81%	0.814	72%	0.715	S	S	*	*	S	Bend	trans	131.5	122.9	167.4	0	0	0	0	0	114.5
350	A	33.1	Very low	37.9	Very low	92 Å²	92	137.7 Å²	137.7	76%	0.76	75%	0.75	S	S	*	*			trans	-55.6	155.1	-171.4	0	0	0	0	0	117.1	E352	A350-E352 PolarHBondContact O-N 2.91Å
351	P	34.3	Very low	36.5	Very low	128 Å²	128	144.3 Å²	144.3	83%	0.831	78%	0.782	S	S	*	*			trans	-85.6	92.4	176.9	34.5	-33.1	0	0	0	112.1	R353	P351-R353 PolarHBondContact O-N 3.29Å
352	E	34	Very low	35.7	Very low	191 Å²	191	143.3 Å²	143.3	89%	0.893	79%	0.785	S	S	*	*			trans	-71.2	118.6	166.2	-78.7	-157.3	136.8	0	0	111.4	A350 G354	A350-E352 PolarHBondContact O-N 2.91Å; E352-G354 PolarHBondContact O-N 3.11Å; E352-G354 VanDerWaalsContact O-N 3.11Å
353	R	28.9	Very low	35.3	Very low	260 Å²	260	143.5 Å²	143.5	98%	0.981	78%	0.779	S	S	*	*			trans	-73.5	94.7	173	-73.1	173	164.5	169	-5.6	109.8	P351	P351-R353 PolarHBondContact O-N 3.29Å
354	G	31.9	Very low	35.3	Very low	63 Å²	63	137.8 Å²	137.8	65%	0.649	76%	0.763	S	S	*	*			trans	-146.3	110.4	-177.5	0	0	0	0	0	116.1	E352	E352-G354 PolarHBondContact O-N 3.11Å; E352-G354 VanDerWaalsContact O-N 3.11Å
355	R	33.1	Very low	36.1	Very low	258 Å²	258	136.1 Å²	136.1	97%	0.974	75%	0.752	S	S	*	*			trans	70	128.1	162.4	-70.6	-176.9	168.7	173.4	-3.1	120.4
356	R	29.6	Very low	38.3	Very low	247 Å²	247	131.3 Å²	131.3	93%	0.932	73%	0.726	S	S	*	*			trans	-75.2	143.2	170.5	-66.6	169.4	167.6	168.5	-6.2	111.2
357	G	27.5	Very low	40.5	Very low	86 Å²	86	126.1 Å²	126.1	89%	0.887	69%	0.692	S	S	*	*			trans	45.3	94.2	142.4	0	0	0	0	0	119.2
358	G	25.9	Very low	43	Very low	65 Å²	65	118.3 Å²	118.3	67%	0.67	66%	0.658	S	S	*	*			trans	-133.5	160.9	156.2	0	0	0	0	0	110.4
359	P	32.1	Very low	45.6	Very low	129 Å²	129	114.1 Å²	114.1	84%	0.838	64%	0.637	S	S	*	*			trans	-63.4	152.6	-179.4	-17.5	30.9	0	0	0	112	Q361	P359-Q361 PolarHBondContact O-N 3.4Å
360	R	37.3	Very low	48.4	Very low	252 Å²	252	110.5 Å²	110.5	95%	0.951	60%	0.599	S	S	*	*			trans	-62.1	91.6	-177.2	-74.5	177.4	168.5	175.9	-5.6	112.5	G362	R360-G362 VanDerWaalsContact C-N 3.27Å; R360-G362 PolarHBondContact O-N 3.34Å
361	Q	39.3	Very low	51.1	Low	171 Å²	171	106.1 Å²	106.1	80%	0.799	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	4.7	179.4	-144.9	172.1	19.5	0	0	113.9	P359 S364	P359-Q361 PolarHBondContact O-N 3.4Å; Q361-S364 PolarHBondContact O-OG 3.48Å; Q361-S364 VanDerWaalsContact O-OG 3.05Å
362	G	42.9	Very low	53.7	Low	47 Å²	47	103.4 Å²	103.4	49%	0.485	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-7	-171.4	0	0	0	0	0	117.1	R360 N366	R360-G362 VanDerWaalsContact C-N 3.27Å; R360-G362 PolarHBondContact O-N 3.34Å; G362-N366 PolarHBondContact O-ND2 3.19Å
363	N	49.1	Very low	56.3	Low	94 Å²	94	97.7 Å²	97.7	50%	0.503	51%	0.514	S	S	.	.	S	Bend	trans	-85.3	-28.6	177.8	-93.8	21.3	0	0	0	113.2	M313 N366	M313-N363 HydrophobicContact CE-CB 3.97Å; N363-N366 PolarHBondContact O-N 2.98Å
364	S	52.8	Low	59.3	Low	40 Å²	40	85.4 Å²	85.4	28%	0.28	47%	0.468	S	S	.	.	H	α-helix	trans	-70.1	-36.5	-170.6	42	0	0	0	0	114.4	Q361 N366 C368 Q398	Q361-S364 PolarHBondContact O-OG 3.48Å; Q361-S364 VanDerWaalsContact O-OG 3.05Å; S364-N366 VanDerWaalsContact C-N 3.29Å; S364-N366 PolarHBondContact O-N 3.48Å; S364-C368 PolarHBondContact O-SG 3.02Å; S364-Q398 VanDerWaalsContact CA-OE1 3.31Å; S364-Q398 PolarHBondContact O-OE1 2.83Å
365	S	63.4	Low	62	Low	52 Å²	52	83.4 Å²	83.4	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-62.8	-36.6	176.1	51.8	0	0	0	0	112.5	C368 N369	S365-C368 WeakPolarHBondContact O-CB 3.35Å; S365-C368 PolarHBondContact O-N 2.93Å; S365-N369 VanDerWaalsContact O-CG 3.28Å; S365-N369 PolarHBondContact O-N 3.46Å; S365-N369 PolarHBondContact O-OD1 2.94Å
366	N	77	Confident	64.7	Low	19 Å²	19	76.5 Å²	76.5	10%	0.102	43%	0.428	C	S	.	.	H	α-helix	trans	-73.3	-37	-167.2	-53.4	-26.7	0	0	0	111.7	Y311 M313 G314 G362 N363 S364 N369 V370	Y311-N366 HydrophobicContact CE1-CB 4.18Å; M313-N366 HydrophobicContact CE-CB 4.37Å; G314-N366 PolarHBondContact N-ND2 3.14Å; G362-N366 PolarHBondContact O-ND2 3.19Å; N363-N366 PolarHBondContact O-N 2.98Å; S364-N366 VanDerWaalsContact C-N 3.29Å; S364-N366 PolarHBondContact O-N 3.48Å; N366-N369 PolarHBondContact O-N 3.35Å; N366-V370 PolarHBondContact O-N 3.35Å
367	L	84.3	Confident	67.5	Low	15 Å²	15	68.1 Å²	68.1	8%	0.079	41%	0.405	C	S	.	.	H	α-helix	trans	-66.2	-40.3	176.3	-175.1	59.2	0	0	0	111.8	N369 V370 V371 V384 N395 F474 L491 T493	L367-N369 VanDerWaalsContact C-N 3.3Å; L367-N369 PolarHBondContact O-N 3.42Å; L367-V370 PolarHBondContact O-N 3.13Å; L367-V371 HydrophobicContact CD1-CG2 4.34Å; L367-V371 WeakPolarHBondContact O-CG2 3.49Å; L367-V371 PolarHBondContact O-N 3.32Å; L367-V384 HydrophobicContact CD1-CG1 4.41Å; L367-N395 HydrophobicContact CD2-CB 3.64Å; L367-F474 HydrophobicContact CD2-CE1 4.2Å; L367-L491 HydrophobicContact CD1-CD2 3.7Å; L367-T493 HydrophobicContact CD1-CG2 4.13Å; L367-T493 HydrophobicContact CD2-CG2 4.19Å
368	C	85.2	Confident	70.5	Confident	8 Å²	8	71.9 Å²	71.9	5%	0.054	40%	0.396	C	S	.	.	H	α-helix	trans	-56.7	-44.6	173.8	-59.1	0	0	0	0	111.5	S364 S365 V370 V371 Q372 I399 K402	S364-C368 PolarHBondContact O-SG 3.02Å; S365-C368 WeakPolarHBondContact O-CB 3.35Å; S365-C368 PolarHBondContact O-N 2.93Å; C368-V370 PolarHBondContact O-N 2.91Å; C368-V371 PolarHBondContact O-N 3.35Å; C368-Q372 WeakPolarHBondContact O-CB 3.27Å; C368-Q372 PolarHBondContact O-N 3.36Å; C368-I399 HydrophobicContact CB-CD1 4.17Å; C368-K402 HydrophobicContact CB-CD 4.35Å; C368-K402 PolarHBondContact SG-NZ 2.91Å
369	N	85.7	Confident	73.7	Confident	100 Å²	100	70.1 Å²	70.1	54%	0.535	37%	0.372	S	S	.	.	H	α-helix	trans	-63.7	-40.7	-179	-63	-6.4	0	0	0	112.2	S365 N366 L367 L373	S365-N369 VanDerWaalsContact O-CG 3.28Å; S365-N369 PolarHBondContact O-N 3.46Å; S365-N369 PolarHBondContact O-OD1 2.94Å; N366-N369 PolarHBondContact O-N 3.35Å; L367-N369 VanDerWaalsContact C-N 3.3Å; L367-N369 PolarHBondContact O-N 3.42Å; N369-L373 WeakPolarHBondContact O-CB 3.46Å; N369-L373 PolarHBondContact O-N 3Å
370	V	88.8	Confident	76.5	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-68.6	-43.2	177.4	179.6	0	0	0	0	111.3	Y311 N366 L367 C368 L373 I374 L491 I548	Y311-V370 HydrophobicContact CD1-CG2 3.44Å; Y311-V370 VanDerWaalsContact CD1-CG2 3.44Å; Y311-V370 HydrophobicContact CD2-CG2 3.78Å; Y311-V370 HydrophobicContact CE1-CG2 3.4Å; Y311-V370 VanDerWaalsContact CE1-CG2 3.4Å; Y311-V370 HydrophobicContact CE2-CG2 3.77Å; Y311-V370 HydrophobicContact CG-CG2 3.63Å; N366-V370 PolarHBondContact O-N 3.35Å; L367-V370 PolarHBondContact O-N 3.13Å; C368-V370 PolarHBondContact O-N 2.91Å; V370-L373 PolarHBondContact O-N 3.18Å; V370-I374 HydrophobicContact CG1-CD1 3.98Å; V370-I374 WeakPolarHBondContact O-CD1 3.25Å; V370-I374 VanDerWaalsContact O-CG1 3.25Å; V370-I374 WeakPolarHBondContact O-CG1 3.35Å; V370-I374 PolarHBondContact O-N 3.3Å; V370-L491 HydrophobicContact CG1-CD1 4.01Å; V370-L491 HydrophobicContact CG1-CD2 3.94Å; V370-I548 HydrophobicContact CG1-CD1 4.38Å; V370-I548 HydrophobicContact CG1-CG2 4.46Å
371	V	91	Very high	79.3	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-66.6	-38.8	178.5	174.8	0	0	0	0	111.4	L367 C368 I374 A375 I399 I403 F405 L491	L367-V371 HydrophobicContact CD1-CG2 4.34Å; L367-V371 WeakPolarHBondContact O-CG2 3.49Å; L367-V371 PolarHBondContact O-N 3.32Å; C368-V371 PolarHBondContact O-N 3.35Å; V371-I374 PolarHBondContact O-N 2.96Å; V371-A375 PolarHBondContact O-N 2.79Å; V371-I399 HydrophobicContact CB-CD1 3.91Å; V371-I399 HydrophobicContact CB-CG1 4.45Å; V371-I399 HydrophobicContact CG1-CD1 4.11Å; V371-I399 HydrophobicContact CG1-CG1 4.25Å; V371-I399 HydrophobicContact CG1-CG2 4.07Å; V371-I399 HydrophobicContact CG2-CD1 4.12Å; V371-I399 HydrophobicContact CG2-CG1 4.4Å; V371-I403 HydrophobicContact CG1-CD1 4.18Å; V371-F405 HydrophobicContact CG1-CZ 3.8Å; V371-L491 HydrophobicContact CG2-CD2 4.13Å
372	Q	88.3	Confident	82	Confident	70 Å²	70	46.4 Å²	46.4	33%	0.327	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-45.9	172.5	-172.7	66.8	54.3	0	0	111.4	C368 I374 A375 D376 I403	C368-Q372 WeakPolarHBondContact O-CB 3.27Å; C368-Q372 PolarHBondContact O-N 3.36Å; Q372-I374 VanDerWaalsContact C-N 3.29Å; Q372-I374 PolarHBondContact O-N 3.4Å; Q372-A375 WeakPolarHBondContact O-CA 3.31Å; Q372-A375 VanDerWaalsContact O-CB 3.31Å; Q372-A375 WeakPolarHBondContact O-CB 3.26Å; Q372-A375 PolarHBondContact O-N 2.94Å; Q372-D376 PolarHBondContact NE2-OD1 3.38Å; Q372-D376 VanDerWaalsContact O-CG 3.27Å; Q372-D376 PolarHBondContact O-N 2.95Å; Q372-I403 HydrophobicContact CB-CD1 4.09Å; Q372-I403 VanDerWaalsContact OE1-CD1 3.24Å
373	L	88.7	Confident	84.6	Confident	71 Å²	71	44.1 Å²	44.1	37%	0.372	24%	0.241	S	C	.	.	H	α-helix	trans	-56.9	-42.5	175.8	178	65.3	0	0	0	111.9	I318 N369 V370 A375 T377	I318-L373 HydrophobicContact CD1-CD2 4.45Å; I318-L373 HydrophobicContact CG2-CD2 4.46Å; N369-L373 WeakPolarHBondContact O-CB 3.46Å; N369-L373 PolarHBondContact O-N 3Å; V370-L373 PolarHBondContact O-N 3.18Å; L373-A375 VanDerWaalsContact C-N 3.34Å; L373-T377 HydrophobicContact CD1-CG2 4.1Å; L373-T377 WeakPolarHBondContact O-CB 3.33Å; L373-T377 WeakPolarHBondContact O-CG2 3.44Å; L373-T377 PolarHBondContact O-N 3.42Å; L373-T377 VanDerWaalsContact O-N 3.1Å; L373-T377 PolarHBondContact O-OG1 3.01Å
374	I	91.3	Very high	86.8	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-39.6	175.1	-69.9	165.7	0	0	0	111.4	V370 V371 Q372 T377 K378 L379 T380 V382 T489 L491 I548	V370-I374 HydrophobicContact CG1-CD1 3.98Å; V370-I374 WeakPolarHBondContact O-CD1 3.25Å; V370-I374 VanDerWaalsContact O-CG1 3.25Å; V370-I374 WeakPolarHBondContact O-CG1 3.35Å; V370-I374 PolarHBondContact O-N 3.3Å; V371-I374 PolarHBondContact O-N 2.96Å; Q372-I374 VanDerWaalsContact C-N 3.29Å; Q372-I374 PolarHBondContact O-N 3.4Å; I374-T377 PolarHBondContact O-OG1 3.13Å; I374-K378 PolarHBondContact O-N 3.4Å; I374-L379 HydrophobicContact CB-CB 4.39Å; I374-L379 HydrophobicContact CG2-CB 3.8Å; I374-L379 WeakPolarHBondContact O-CB 3.18Å; I374-L379 PolarHBondContact O-N 3.08Å; I374-T380 HydrophobicContact CG2-CG2 4.3Å; I374-V382 HydrophobicContact CD1-CG2 4.08Å; I374-V382 HydrophobicContact CG2-CB 4.01Å; I374-V382 HydrophobicContact CG2-CG1 4.09Å; I374-T489 HydrophobicContact CD1-CG2 4.13Å; I374-L491 HydrophobicContact CD1-CD2 4.42Å; I374-I548 HydrophobicContact CD1-CD1 3.96Å; I374-I548 HydrophobicContact CG1-CD1 4.14Å
375	A	88.8	Confident	88.7	Confident	22 Å²	22	37.8 Å²	37.8	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-54.6	176.9	0	0	0	0	0	111.4	V371 Q372 L373 T377 K378 F405	V371-A375 PolarHBondContact O-N 2.79Å; Q372-A375 WeakPolarHBondContact O-CA 3.31Å; Q372-A375 VanDerWaalsContact O-CB 3.31Å; Q372-A375 WeakPolarHBondContact O-CB 3.26Å; Q372-A375 PolarHBondContact O-N 2.94Å; L373-A375 VanDerWaalsContact C-N 3.34Å; A375-T377 PolarHBondContact O-N 3.42Å; A375-K378 PolarHBondContact O-N 2.81Å; A375-F405 HydrophobicContact CB-CD1 4.25Å; A375-F405 HydrophobicContact CB-CE1 3.75Å
376	D	89.4	Confident	90	Very high	113 Å²	113	35.3 Å²	35.3	60%	0.604	19%	0.187	S	C	*	.	H	α-helix	trans	-62.6	-33.1	-175.5	-63.2	-18.4	0	0	0	112	Q372 K378	Q372-D376 PolarHBondContact NE2-OD1 3.38Å; Q372-D376 VanDerWaalsContact O-CG 3.27Å; Q372-D376 PolarHBondContact O-N 2.95Å; D376-K378 VanDerWaalsContact C-N 3.32Å; D376-K378 PolarHBondContact O-N 3.35Å
377	T	89.1	Confident	90.3	Very high	71 Å²	71	36.8 Å²	36.8	44%	0.436	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	6	177.7	56.5	0	0	0	0	114.3	L373 I374 A375 L379	L373-T377 HydrophobicContact CD1-CG2 4.1Å; L373-T377 WeakPolarHBondContact O-CB 3.33Å; L373-T377 WeakPolarHBondContact O-CG2 3.44Å; L373-T377 PolarHBondContact O-N 3.42Å; L373-T377 VanDerWaalsContact O-N 3.1Å; L373-T377 PolarHBondContact O-OG1 3.01Å; I374-T377 PolarHBondContact O-OG1 3.13Å; A375-T377 PolarHBondContact O-N 3.42Å; T377-L379 VanDerWaalsContact C-N 3.29Å; T377-L379 PolarHBondContact O-N 3.06Å; T377-L379 VanDerWaalsContact OG1-CD1 3.25Å; T377-L379 WeakPolarHBondContact OG1-CD1 3.42Å; T377-L379 WeakPolarHBondContact OG1-CG 3.32Å
378	K	90.1	Very high	90.4	Very high	164 Å²	164	38.4 Å²	38.4	71%	0.713	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	41.1	-179	-55	-177.9	-179.1	-179	0	113	I374 A375 D376 K488	I374-K378 PolarHBondContact O-N 3.4Å; A375-K378 PolarHBondContact O-N 2.81Å; D376-K378 VanDerWaalsContact C-N 3.32Å; D376-K378 PolarHBondContact O-N 3.35Å; K378-K488 PolarHBondContact O-NZ 2.94Å
379	L	92.7	Very high	90.6	Very high	28 Å²	28	41 Å²	41	15%	0.147	21%	0.214	C	C	.	.			trans	-94.8	10.4	177.2	-68.5	179.7	0	0	0	113.2	I374 T377 T489 L546	I374-L379 HydrophobicContact CB-CB 4.39Å; I374-L379 HydrophobicContact CG2-CB 3.8Å; I374-L379 WeakPolarHBondContact O-CB 3.18Å; I374-L379 PolarHBondContact O-N 3.08Å; T377-L379 VanDerWaalsContact C-N 3.29Å; T377-L379 PolarHBondContact O-N 3.06Å; T377-L379 VanDerWaalsContact OG1-CD1 3.25Å; T377-L379 WeakPolarHBondContact OG1-CD1 3.42Å; T377-L379 WeakPolarHBondContact OG1-CG 3.32Å; L379-T489 WeakPolarHBondContact O-CB 3.44Å; L379-T489 PolarHBondContact O-OG1 3.08Å; L379-L546 HydrophobicContact CD1-CD2 3.77Å; L379-L546 HydrophobicContact CD2-CD1 4.04Å; L379-L546 HydrophobicContact CD2-CD2 3.96Å
380	T	92.1	Very high	90.8	Very high	38 Å²	38	44.4 Å²	44.4	23%	0.233	22%	0.219	C	C	.	.			trans	-77.6	155.8	173.8	49.9	0	0	0	0	112.4	I374 K471 K488	I374-T380 HydrophobicContact CG2-CG2 4.3Å; T380-K471 HydrophobicContact CG2-CB 4.08Å; T380-K488 WeakPolarHBondContact O-CD 3.44Å
381	P	95.8	Very high	90.8	Very high	15 Å²	15	47.5 Å²	47.5	10%	0.097	23%	0.234	C	C	.	.	S	Bend	cis	-71.7	149.5	-3.8	31.1	-34.9	0	0	0	112.4	F465 K471 K488 T489	P381-F465 HydrophobicContact CB-CE2 4.02Å; P381-F465 HydrophobicContact CB-CZ 4.26Å; P381-F465 HydrophobicContact CG-CZ 4.48Å; P381-K471 CarbonylContact C-O 3.51Å; P381-K471 VanDerWaalsContact CA-O 3.27Å; P381-K471 WeakPolarHBondContact CA-O 3.48Å; P381-K488 PolarHBondContact O-N 3.03Å; P381-T489 PolarHBondContact O-N 3.48Å; P381-T489 VanDerWaalsContact O-N 3.13Å
382	V	96.1	Very high	90.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136	174.6	58.9	0	0	0	0	111.3	I374 V384 K471 A472 L473 T489 L491	I374-V382 HydrophobicContact CD1-CG2 4.08Å; I374-V382 HydrophobicContact CG2-CB 4.01Å; I374-V382 HydrophobicContact CG2-CG1 4.09Å; V382-V384 HydrophobicContact CG2-CG2 4.16Å; V382-K471 PolarHBondContact N-O 3.39Å; V382-A472 HydrophobicContact CG1-CB 3.94Å; V382-L473 PolarHBondContact O-N 2.61Å; V382-T489 VanDerWaalsContact CA-O 3.28Å; V382-T489 WeakPolarHBondContact CA-O 3.39Å; V382-T489 HydrophobicContact CG2-CG2 4.04Å; V382-L491 HydrophobicContact CG2-CB 4.12Å
383	I	96.1	Very high	91	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.4	163.8	-63.1	157.8	0	0	0	108.2	F385 F465 L473 A475 F479 A487 T489 V490 L491 R535	I383-F385 HydrophobicContact CG2-CD1 4.27Å; I383-F385 HydrophobicContact CG2-CD2 4.06Å; I383-F385 HydrophobicContact CG2-CE1 3.94Å; I383-F385 HydrophobicContact CG2-CE2 3.7Å; I383-F385 HydrophobicContact CG2-CG 4.32Å; I383-F385 HydrophobicContact CG2-CZ 3.63Å; I383-F465 HydrophobicContact CD1-CZ 4.16Å; I383-F465 HydrophobicContact CG1-CE2 4.34Å; I383-F465 HydrophobicContact CG1-CZ 3.88Å; I383-L473 CarbonylContact C-O 3.49Å; I383-L473 WeakPolarHBondContact CA-O 3.37Å; I383-L473 HydrophobicContact CG1-CD2 4.47Å; I383-A475 HydrophobicContact CG2-CB 4.08Å; I383-F479 HydrophobicContact CD1-CD1 4.19Å; I383-F479 HydrophobicContact CD1-CE1 3.67Å; I383-F479 HydrophobicContact CG1-CE1 4.14Å; I383-F479 HydrophobicContact CG2-CD1 4.4Å; I383-A487 HydrophobicContact CB-CB 4.47Å; I383-A487 HydrophobicContact CD1-CB 3.53Å; I383-A487 HydrophobicContact CG1-CB 3.72Å; I383-T489 PolarHBondContact N-O 3.09Å; I383-V490 CarbonylContact O-C 3.59Å; I383-V490 WeakPolarHBondContact O-CA 3.43Å; I383-L491 PolarHBondContact O-N 3.18Å; I383-R535 HydrophobicContact CD1-CB 4.02Å
384	V	95.6	Very high	91.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110	175.6	-172.5	0	0	0	0	108.4	L367 V382 L473 F474 A475 L491 T493	L367-V384 HydrophobicContact CD1-CG1 4.41Å; V382-V384 HydrophobicContact CG2-CG2 4.16Å; V384-L473 PolarHBondContact N-O 3.46Å; V384-F474 HydrophobicContact CB-CD1 3.75Å; V384-F474 HydrophobicContact CB-CE1 3.72Å; V384-F474 HydrophobicContact CB-CG 4.34Å; V384-F474 HydrophobicContact CB-CZ 4.28Å; V384-F474 HydrophobicContact CG1-CD1 3.86Å; V384-F474 HydrophobicContact CG1-CE1 3.62Å; V384-F474 HydrophobicContact CG1-CZ 4.46Å; V384-F474 HydrophobicContact CG2-CD1 4.33Å; V384-F474 HydrophobicContact CG2-CE1 3.91Å; V384-F474 HydrophobicContact CG2-CE2 4.48Å; V384-F474 HydrophobicContact CG2-CZ 3.97Å; V384-A475 PolarHBondContact O-N 3.3Å; V384-L491 CarbonylContact C-O 3.5Å; V384-L491 VanDerWaalsContact CA-O 3.32Å; V384-L491 WeakPolarHBondContact CA-O 3.49Å; V384-L491 HydrophobicContact CG1-CB 4.47Å; V384-L491 HydrophobicContact CG1-CD2 4.12Å; V384-L491 HydrophobicContact CG1-CG 4.21Å; V384-L491 HydrophobicContact CG2-CB 4.31Å; V384-L491 HydrophobicContact CG2-CD2 4.09Å; V384-T493 HydrophobicContact CG1-CG2 3.58Å
385	F	93.5	Very high	91.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127	-179.7	-76.7	-64.8	0	0	0	112.2	I383 A475 F479 V490 L491 F492 T493 M532	I383-F385 HydrophobicContact CG2-CD1 4.27Å; I383-F385 HydrophobicContact CG2-CD2 4.06Å; I383-F385 HydrophobicContact CG2-CE1 3.94Å; I383-F385 HydrophobicContact CG2-CE2 3.7Å; I383-F385 HydrophobicContact CG2-CG 4.32Å; I383-F385 HydrophobicContact CG2-CZ 3.63Å; F385-A475 WeakPolarHBondContact CA-O 3.33Å; F385-A475 HydrophobicContact CD1-CB 4.32Å; F385-A475 HydrophobicContact CE1-CB 4.27Å; F385-F479 HydrophobicContact CE1-CB 4.36Å; F385-V490 HydrophobicContact CD2-CG1 3.6Å; F385-V490 HydrophobicContact CE2-CG1 3.71Å; F385-V490 HydrophobicContact CE2-CG2 4.45Å; F385-L491 PolarHBondContact N-O 3.43Å; F385-F492 HydrophobicContact CB-CD1 4.31Å; F385-F492 HydrophobicContact CD2-CE1 4.43Å; F385-T493 PolarHBondContact O-N 2.96Å; F385-T493 PolarHBondContact O-OG1 3.41Å; F385-M532 HydrophobicContact CB-SD 4.3Å; F385-M532 HydrophobicContact CD1-CG 4.35Å; F385-M532 HydrophobicContact CD1-SD 4.19Å; F385-M532 HydrophobicContact CD2-CB 3.89Å; F385-M532 HydrophobicContact CD2-CG 4.13Å; F385-M532 HydrophobicContact CD2-SD 4.28Å; F385-M532 HydrophobicContact CE1-CG 4.24Å; F385-M532 HydrophobicContact CE2-CB 3.72Å; F385-M532 HydrophobicContact CE2-CG 4.02Å; F385-M532 HydrophobicContact CG-CG 4.31Å; F385-M532 HydrophobicContact CG-SD 4.01Å; F385-M532 HydrophobicContact CZ-CB 4.22Å; F385-M532 HydrophobicContact CZ-CG 4.08Å
386	N	90.1	Very high	91.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.4	174.7	-66.4	99.5	0	0	0	110.5	E391 C392 N395 A475 T476 T493	N386-E391 PolarHBondContact ND2-OE1 2.94Å; N386-C392 HydrophobicContact CB-CB 4.09Å; N386-N395 PolarHBondContact ND2-ND2 3.02Å; N386-A475 PolarHBondContact N-O 2.83Å; N386-T476 WeakPolarHBondContact O-CA 3.44Å; N386-T493 WeakPolarHBondContact ND2-CG2 3.29Å; N386-T493 PolarHBondContact ND2-OG1 2.61Å
387	F	83.1	Confident	91.5	Very high	50 Å²	50	43.9 Å²	43.9	22%	0.219	22%	0.217	C	C	.	.	S	Bend	trans	-91.8	3.9	179.5	-60.4	-70.9	0	0	0	114	R496 K497 I524 M532	F387-R496 WeakPolarHBondContact CD2-O 3.14Å; F387-K497 HydrophobicContact CD1-CB 4.43Å; F387-K497 HydrophobicContact CD1-CD 4.24Å; F387-K497 HydrophobicContact CD1-CG 4.18Å; F387-K497 HydrophobicContact CE1-CD 4.41Å; F387-I524 HydrophobicContact CE1-CG1 4.49Å; F387-I524 HydrophobicContact CE2-CD1 3.81Å; F387-I524 HydrophobicContact CE2-CG1 4.22Å; F387-I524 HydrophobicContact CZ-CD1 3.47Å; F387-I524 VanDerWaalsContact CZ-CD1 3.47Å; F387-I524 HydrophobicContact CZ-CG1 3.77Å; F387-M532 HydrophobicContact CE1-CE 4.07Å; F387-M532 HydrophobicContact CE1-SD 4.2Å; F387-M532 HydrophobicContact CZ-CE 4.24Å; F387-M532 HydrophobicContact CZ-SD 4.41Å
388	S	86.4	Confident	91.4	Very high	50 Å²	50	42.6 Å²	42.6	35%	0.35	21%	0.206	S	C	.	.	S	Bend	trans	-137.3	133.9	179.6	171.8	0	0	0	0	111	R390 E391 C392	S388-R390 PolarHBondContact O-N 3.04Å; S388-E391 PolarHBondContact O-N 3.41Å; S388-E391 VanDerWaalsContact O-N 3.16Å; S388-C392 WeakPolarHBondContact O-CB 3.29Å; S388-C392 PolarHBondContact O-N 2.99Å
389	R	89.5	Confident	91.4	Very high	62 Å²	62	34.8 Å²	34.8	23%	0.234	17%	0.172	C	C	.	.	H	α-helix	trans	-53	-50.2	174.8	-67.7	179.4	-81	-175.4	-1.8	111.6	E391 C392 E393 H450 E930 F1002 S1005	R389-E391 VanDerWaalsContact C-N 3.31Å; R389-E391 PolarHBondContact O-N 3.26Å; R389-C392 VanDerWaalsContact O-CB 3.25Å; R389-C392 WeakPolarHBondContact O-CB 3.47Å; R389-C392 PolarHBondContact O-N 3.42Å; R389-E393 PolarHBondContact O-N 2.82Å; R389-E393 VanDerWaalsContact O-N 3.14Å; R389-H450 HydrophobicContact CG-CB 4.02Å; R389-E930 IonicContact CZ-OE2 3.64Å; R389-E930 IonicContact NH1-OE1 2.63Å; R389-E930 PolarHBondContact NH1-OE1 3.08Å; R389-E930 IonicContact NH1-OE2 2.77Å; R389-E930 PolarHBondContact NH1-OE2 3.49Å; R389-E930 IonicContact NH2-OE2 3.65Å; R389-E930 PolarHBondContact NH2-OE2 2.8Å; R389-F1002 HydrophobicContact CB-CE2 4Å; R389-F1002 HydrophobicContact CB-CZ 4.01Å; R389-S1005 PolarHBondContact NH1-OG 2.87Å
390	R	89.9	Confident	91.2	Very high	171 Å²	171	35.2 Å²	35.2	65%	0.645	17%	0.173	S	C	*	.	H	α-helix	trans	-63.8	-33.2	179.3	-65.6	-179.9	179.1	173.2	-1.2	113	S388 A394 F1002	S388-R390 PolarHBondContact O-N 3.04Å; R390-A394 VanDerWaalsContact O-CB 3.22Å; R390-A394 WeakPolarHBondContact O-CB 3.5Å; R390-A394 PolarHBondContact O-N 2.75Å; R390-A394 VanDerWaalsContact O-N 3.1Å; R390-F1002 HydrophobicContact CG-CE2 4.39Å; R390-F1002 HydrophobicContact CG-CZ 3.91Å
391	E	89.1	Confident	90.9	Very high	69 Å²	69	39.6 Å²	39.6	32%	0.322	19%	0.191	S	C	.	.	H	α-helix	trans	-74.3	-37.8	177.5	-164.7	-159.5	138.4	0	0	111.2	N386 S388 R389 A394 N395 T493	N386-E391 PolarHBondContact ND2-OE1 2.94Å; S388-E391 PolarHBondContact O-N 3.41Å; S388-E391 VanDerWaalsContact O-N 3.16Å; R389-E391 VanDerWaalsContact C-N 3.31Å; R389-E391 PolarHBondContact O-N 3.26Å; E391-A394 PolarHBondContact O-N 3.02Å; E391-N395 VanDerWaalsContact O-CB 3.29Å; E391-N395 WeakPolarHBondContact O-CB 3.36Å; E391-N395 VanDerWaalsContact O-CG 3.23Å; E391-N395 PolarHBondContact O-N 3.21Å; E391-N395 PolarHBondContact O-ND2 2.89Å; E391-T493 PolarHBondContact OE1-OG1 3.23Å
392	C	91.4	Very high	90.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.3	-52.2	174.5	-166.9	0	0	0	0	111.3	N386 S388 R389 A396 F474	N386-C392 HydrophobicContact CB-CB 4.09Å; S388-C392 WeakPolarHBondContact O-CB 3.29Å; S388-C392 PolarHBondContact O-N 2.99Å; R389-C392 VanDerWaalsContact O-CB 3.25Å; R389-C392 WeakPolarHBondContact O-CB 3.47Å; R389-C392 PolarHBondContact O-N 3.42Å; C392-A396 WeakPolarHBondContact O-CB 3.45Å; C392-A396 PolarHBondContact O-N 2.67Å; C392-A396 VanDerWaalsContact O-N 3.09Å; C392-F474 PolarHBondContact SG-O 3Å; C392-F474 VanDerWaalsContact SG-O 3.33Å
393	E	92.5	Very high	90	Very high	56 Å²	56	45.4 Å²	45.4	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-49.7	176.3	-66.3	171.1	160.9	0	0	111.8	R389 N395 A396 M397 I448 H450 F1002	R389-E393 PolarHBondContact O-N 2.82Å; R389-E393 VanDerWaalsContact O-N 3.14Å; E393-N395 VanDerWaalsContact C-N 3.28Å; E393-N395 PolarHBondContact O-N 3.2Å; E393-A396 PolarHBondContact O-N 3.23Å; E393-M397 WeakPolarHBondContact O-CG 3.48Å; E393-M397 PolarHBondContact O-N 2.81Å; E393-I448 HydrophobicContact CG-CG2 4.17Å; E393-H450 VanDerWaalsContact CG-NE2 3.29Å; E393-H450 WeakPolarHBondContact CG-NE2 3.48Å; E393-H450 IonicContact OE1-CE1 3.34Å; E393-H450 PolarHBondContact OE1-CE1 2.89Å; E393-H450 IonicContact OE1-NE2 2.69Å; E393-H450 PolarHBondContact OE1-NE2 3.04Å; E393-F1002 WeakPolarHBondContact OE1-CE1 3.23Å
394	A	91.9	Very high	89.8	Confident	48 Å²	48	50 Å²	50	40%	0.397	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-35.4	-177.3	0	0	0	0	0	113	R390 E391 Q398	R390-A394 VanDerWaalsContact O-CB 3.22Å; R390-A394 WeakPolarHBondContact O-CB 3.5Å; R390-A394 PolarHBondContact O-N 2.75Å; R390-A394 VanDerWaalsContact O-N 3.1Å; E391-A394 PolarHBondContact O-N 3.02Å; A394-Q398 VanDerWaalsContact O-CG 3.32Å; A394-Q398 WeakPolarHBondContact O-CG 3.48Å; A394-Q398 PolarHBondContact O-N 2.69Å; A394-Q398 PolarHBondContact O-NE2 3.29Å
395	N	92.1	Very high	89.6	Confident	20 Å²	20	51.8 Å²	51.8	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-75.6	-39.4	176.9	-73.8	-26.7	0	0	0	112.2	L367 N386 E391 E393 M397 Q398 I399 F474	L367-N395 HydrophobicContact CD2-CB 3.64Å; N386-N395 PolarHBondContact ND2-ND2 3.02Å; E391-N395 VanDerWaalsContact O-CB 3.29Å; E391-N395 WeakPolarHBondContact O-CB 3.36Å; E391-N395 VanDerWaalsContact O-CG 3.23Å; E391-N395 PolarHBondContact O-N 3.21Å; E391-N395 PolarHBondContact O-ND2 2.89Å; E393-N395 VanDerWaalsContact C-N 3.28Å; E393-N395 PolarHBondContact O-N 3.2Å; N395-M397 PolarHBondContact O-N 2.92Å; N395-Q398 PolarHBondContact O-N 3.36Å; N395-I399 PolarHBondContact O-N 3.49Å; N395-F474 HydrophobicContact CB-CD1 3.81Å; N395-F474 HydrophobicContact CB-CE1 3.66Å
396	A	92.9	Very high	89.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.6	-44.7	175.5	0	0	0	0	0	112.1	C392 E393 Q398 I399 F400 V446 I448 F474	C392-A396 WeakPolarHBondContact O-CB 3.45Å; C392-A396 PolarHBondContact O-N 2.67Å; C392-A396 VanDerWaalsContact O-N 3.09Å; E393-A396 PolarHBondContact O-N 3.23Å; A396-Q398 VanDerWaalsContact C-N 3.32Å; A396-Q398 PolarHBondContact O-N 3.26Å; A396-I399 PolarHBondContact O-N 3.36Å; A396-F400 WeakPolarHBondContact O-CB 3.1Å; A396-F400 PolarHBondContact O-N 3.29Å; A396-V446 HydrophobicContact CB-CG1 4.11Å; A396-I448 HydrophobicContact CB-CD1 3.73Å; A396-I448 HydrophobicContact CB-CG1 3.46Å; A396-I448 VanDerWaalsContact CB-CG1 3.46Å; A396-F474 HydrophobicContact CB-CB 4.01Å; A396-F474 HydrophobicContact CB-CD1 4.5Å; A396-F474 HydrophobicContact CB-CD2 3.59Å; A396-F474 HydrophobicContact CB-CE2 4.28Å; A396-F474 HydrophobicContact CB-CG 3.74Å
397	M	91.3	Very high	89.8	Confident	79 Å²	79	56.1 Å²	56.1	39%	0.389	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-38.4	178.5	-64.9	-61.3	-82.7	0	0	112.3	E393 N395 I399 F400 E401 V441	E393-M397 WeakPolarHBondContact O-CG 3.48Å; E393-M397 PolarHBondContact O-N 2.81Å; N395-M397 PolarHBondContact O-N 2.92Å; M397-I399 VanDerWaalsContact C-N 3.34Å; M397-I399 PolarHBondContact O-N 3.48Å; M397-F400 HydrophobicContact CE-CD1 4.49Å; M397-F400 PolarHBondContact O-N 3.15Å; M397-F400 HydrophobicContact SD-CD1 4.38Å; M397-E401 WeakPolarHBondContact O-CG 3.45Å; M397-E401 PolarHBondContact O-N 3.02Å; M397-V441 HydrophobicContact SD-CG2 3.91Å
398	Q	88.5	Confident	90.4	Very high	43 Å²	43	57.5 Å²	57.5	20%	0.201	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-33	176.2	-72.4	167.3	58	0	0	113.8	S364 A394 N395 A396	S364-Q398 VanDerWaalsContact CA-OE1 3.31Å; S364-Q398 PolarHBondContact O-OE1 2.83Å; A394-Q398 VanDerWaalsContact O-CG 3.32Å; A394-Q398 WeakPolarHBondContact O-CG 3.48Å; A394-Q398 PolarHBondContact O-N 2.69Å; A394-Q398 PolarHBondContact O-NE2 3.29Å; N395-Q398 PolarHBondContact O-N 3.36Å; A396-Q398 VanDerWaalsContact C-N 3.32Å; A396-Q398 PolarHBondContact O-N 3.26Å
399	I	89.6	Confident	90.8	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-75.3	-47.7	173.3	-63.9	-46.1	0	0	0	110.3	C368 V371 N395 A396 M397 E401 K402 I403 F405 V446 F474	C368-I399 HydrophobicContact CB-CD1 4.17Å; V371-I399 HydrophobicContact CB-CD1 3.91Å; V371-I399 HydrophobicContact CB-CG1 4.45Å; V371-I399 HydrophobicContact CG1-CD1 4.11Å; V371-I399 HydrophobicContact CG1-CG1 4.25Å; V371-I399 HydrophobicContact CG1-CG2 4.07Å; V371-I399 HydrophobicContact CG2-CD1 4.12Å; V371-I399 HydrophobicContact CG2-CG1 4.4Å; N395-I399 PolarHBondContact O-N 3.49Å; A396-I399 PolarHBondContact O-N 3.36Å; M397-I399 VanDerWaalsContact C-N 3.34Å; M397-I399 PolarHBondContact O-N 3.48Å; I399-E401 VanDerWaalsContact C-N 3.27Å; I399-E401 PolarHBondContact O-N 3.49Å; I399-K402 PolarHBondContact O-N 2.9Å; I399-I403 HydrophobicContact CG2-CB 4.26Å; I399-I403 HydrophobicContact CG2-CD1 4.15Å; I399-I403 HydrophobicContact CG2-CG1 4.32Å; I399-I403 PolarHBondContact O-N 3.34Å; I399-F405 HydrophobicContact CG2-CE2 3.72Å; I399-F405 HydrophobicContact CG2-CZ 4.02Å; I399-V446 HydrophobicContact CG2-CG2 3.96Å; I399-F474 HydrophobicContact CB-CE2 4.2Å; I399-F474 HydrophobicContact CB-CZ 4.3Å; I399-F474 HydrophobicContact CG1-CE2 3.89Å; I399-F474 HydrophobicContact CG1-CZ 3.49Å; I399-F474 VanDerWaalsContact CG1-CZ 3.49Å
400	F	88.5	Confident	91.1	Very high	36 Å²	36	62.4 Å²	62.4	16%	0.158	31%	0.312	C	S	.	.	H	α-helix	trans	-50.5	-45.8	178.2	158.6	-106.3	0	0	0	112.1	A396 M397 K402 P440 V441 R444	A396-F400 WeakPolarHBondContact O-CB 3.1Å; A396-F400 PolarHBondContact O-N 3.29Å; M397-F400 HydrophobicContact CE-CD1 4.49Å; M397-F400 PolarHBondContact O-N 3.15Å; M397-F400 HydrophobicContact SD-CD1 4.38Å; F400-K402 PolarHBondContact O-N 2.96Å; F400-P440 HydrophobicContact CE2-CB 4.15Å; F400-P440 VanDerWaalsContact CE2-O 3.29Å; F400-P440 WeakPolarHBondContact CE2-O 3.39Å; F400-P440 HydrophobicContact CZ-CB 4.12Å; F400-V441 HydrophobicContact CB-CG1 4.24Å; F400-V441 HydrophobicContact CD1-CG2 4.21Å; F400-V441 HydrophobicContact CD2-CB 4.2Å; F400-V441 HydrophobicContact CD2-CG1 4.44Å; F400-V441 HydrophobicContact CD2-CG2 3.99Å; F400-V441 HydrophobicContact CE1-CG2 4.47Å; F400-V441 HydrophobicContact CE2-CG2 4.27Å; F400-V441 HydrophobicContact CG-CB 4.47Å; F400-V441 HydrophobicContact CG-CG1 4.44Å; F400-V441 HydrophobicContact CG-CG2 3.96Å; F400-V441 HydrophobicContact CZ-CG2 4.5Å; F400-R444 HydrophobicContact CD2-CB 4.19Å; F400-R444 HydrophobicContact CD2-CG 4.01Å; F400-R444 HydrophobicContact CE2-CG 4Å; F400-R444 VanDerWaalsContact O-CD 3.23Å; F400-R444 WeakPolarHBondContact O-CD 3.37Å; F400-R444 PolarHBondContact O-NH1 3.39Å
401	E	86.2	Confident	91.4	Very high	131 Å²	131	55.9 Å²	55.9	61%	0.612	29%	0.291	S	S	*	.	H	α-helix	trans	-60.1	-32.6	179.8	-76.4	175.1	178.2	0	0	113.4	M397 I399 R444	M397-E401 WeakPolarHBondContact O-CG 3.45Å; M397-E401 PolarHBondContact O-N 3.02Å; I399-E401 VanDerWaalsContact C-N 3.27Å; I399-E401 PolarHBondContact O-N 3.49Å; E401-R444 PolarHBondContact O-NH1 3.05Å
402	K	86	Confident	91.7	Very high	125 Å²	125	59.3 Å²	59.3	54%	0.543	31%	0.307	S	S	.	.	H	α-helix	trans	-106.2	-33.6	-167.3	-63.3	177.5	-172	171.4	0	115	C368 I399 F400	C368-K402 HydrophobicContact CB-CD 4.35Å; C368-K402 PolarHBondContact SG-NZ 2.91Å; I399-K402 PolarHBondContact O-N 2.9Å; F400-K402 PolarHBondContact O-N 2.96Å
403	I	87	Confident	91.9	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.062	33%	0.325	C	S	.	.			trans	-119.1	132.6	-171.1	-46	-174.9	0	0	0	109.2	V371 Q372 I399 F405	V371-I403 HydrophobicContact CG1-CD1 4.18Å; Q372-I403 HydrophobicContact CB-CD1 4.09Å; Q372-I403 VanDerWaalsContact OE1-CD1 3.24Å; I399-I403 HydrophobicContact CG2-CB 4.26Å; I399-I403 HydrophobicContact CG2-CD1 4.15Å; I399-I403 HydrophobicContact CG2-CG1 4.32Å; I399-I403 PolarHBondContact O-N 3.34Å; I403-F405 HydrophobicContact CB-CE2 4.02Å; I403-F405 HydrophobicContact CB-CZ 4.16Å; I403-F405 HydrophobicContact CD1-CZ 4.28Å; I403-F405 HydrophobicContact CG2-CD1 4.14Å; I403-F405 HydrophobicContact CG2-CD2 4.09Å; I403-F405 HydrophobicContact CG2-CE1 3.87Å; I403-F405 HydrophobicContact CG2-CE2 3.78Å; I403-F405 HydrophobicContact CG2-CG 4.26Å; I403-F405 HydrophobicContact CG2-CZ 3.67Å
404	N	91.6	Very high	92.1	Very high	97 Å²	97	60.2 Å²	60.2	52%	0.519	31%	0.313	S	S	.	.			trans	-113.1	118.3	163.9	179.3	21.9	0	0	0	108.4	N406 R444	N404-N406 PolarHBondContact ND2-O 3.43Å; N404-N406 PolarHBondContact OD1-N 2.92Å; N404-R444 HydrophobicContact CB-CG 4.45Å; N404-R444 WeakPolarHBondContact OD1-CA 3.47Å; N404-R444 PolarHBondContact OD1-O 2.92Å
405	F	91.3	Very high	92.3	Very high	37 Å²	37	60.2 Å²	60.2	16%	0.162	31%	0.306	C	S	.	.			trans	-91.5	-19.1	-178	-62.6	-88	0	0	0	113.8	V371 A375 I399 I403 R444 V446 K471 A472	V371-F405 HydrophobicContact CG1-CZ 3.8Å; A375-F405 HydrophobicContact CB-CD1 4.25Å; A375-F405 HydrophobicContact CB-CE1 3.75Å; I399-F405 HydrophobicContact CG2-CE2 3.72Å; I399-F405 HydrophobicContact CG2-CZ 4.02Å; I403-F405 HydrophobicContact CB-CE2 4.02Å; I403-F405 HydrophobicContact CB-CZ 4.16Å; I403-F405 HydrophobicContact CD1-CZ 4.28Å; I403-F405 HydrophobicContact CG2-CD1 4.14Å; I403-F405 HydrophobicContact CG2-CD2 4.09Å; I403-F405 HydrophobicContact CG2-CE1 3.87Å; I403-F405 HydrophobicContact CG2-CE2 3.78Å; I403-F405 HydrophobicContact CG2-CG 4.26Å; I403-F405 HydrophobicContact CG2-CZ 3.67Å; F405-R444 WeakPolarHBondContact CB-O 3.25Å; F405-R444 WeakPolarHBondContact CD2-O 3.34Å; F405-R444 PolarHBondContact N-O 3.41Å; F405-V446 HydrophobicContact CD2-CG2 4.01Å; F405-V446 HydrophobicContact CE2-CG2 3.77Å; F405-K471 HydrophobicContact CB-CB 3.84Å; F405-K471 HydrophobicContact CB-CG 3.57Å; F405-K471 HydrophobicContact CD1-CB 3.96Å; F405-K471 HydrophobicContact CG-CB 3.93Å; F405-K471 HydrophobicContact CG-CG 4.24Å; F405-A472 HydrophobicContact CE2-CB 3.93Å; F405-A472 HydrophobicContact CZ-CB 3.87Å
406	N	93.4	Very high	92.4	Very high	10 Å²	10	64.9 Å²	64.9	5%	0.053	33%	0.327	C	S	.	.			trans	-107.7	145	-165.2	-75.4	-5.6	0	0	0	113.2	N404 E410 V411 I414 Q443 G445 L469 K471	N404-N406 PolarHBondContact ND2-O 3.43Å; N404-N406 PolarHBondContact OD1-N 2.92Å; N406-E410 HydrophobicContact CB-CB 4.08Å; N406-V411 HydrophobicContact CB-CG2 4.33Å; N406-I414 WeakPolarHBondContact ND2-CD1 3.49Å; N406-Q443 WeakPolarHBondContact CB-O 3.31Å; N406-Q443 PolarHBondContact ND2-O 3.09Å; N406-G445 WeakPolarHBondContact ND2-CA 3.15Å; N406-G445 PolarHBondContact ND2-N 3.49Å; N406-L469 PolarHBondContact ND2-O 2.89Å; N406-L469 PolarHBondContact OD1-O 3.32Å; N406-K471 WeakPolarHBondContact OD1-CE 3.5Å
407	T	94	Very high	92.5	Very high	81 Å²	81	66.7 Å²	66.7	50%	0.497	34%	0.338	S	S	.	.			trans	-77.2	160.9	170.5	64.9	0	0	0	0	111.4	K409 E410 V411	T407-K409 PolarHBondContact O-N 3.23Å; T407-K409 VanDerWaalsContact O-N 3.15Å; T407-E410 WeakPolarHBondContact CB-OE2 3.19Å; T407-E410 WeakPolarHBondContact CG2-OE2 3.47Å; T407-E410 PolarHBondContact N-OE2 2.92Å; T407-E410 PolarHBondContact O-N 3.03Å; T407-E410 VanDerWaalsContact O-N 3.08Å; T407-E410 WeakPolarHBondContact OG1-CG 3.34Å; T407-E410 PolarHBondContact OG1-OE2 3.36Å; T407-V411 WeakPolarHBondContact O-CG2 3.24Å; T407-V411 PolarHBondContact O-N 3.48Å
408	A	94.4	Very high	92.6	Very high	80 Å²	80	63.1 Å²	63.1	66%	0.661	32%	0.321	S	S	*	.	H	α-helix	trans	-56.8	-31.5	178.6	0	0	0	0	0	113.7	V411 E412	A408-V411 WeakPolarHBondContact O-CB 3.26Å; A408-V411 PolarHBondContact O-N 3.08Å; A408-E412 PolarHBondContact O-N 3.2Å
409	K	95.5	Very high	92.8	Very high	171 Å²	171	65.2 Å²	65.2	74%	0.743	33%	0.33	S	S	*	.	H	α-helix	trans	-70.6	-40.3	176.2	-66.7	-172.4	175.4	-171.6	0	112.7	T407 V411 E412 L413	T407-K409 PolarHBondContact O-N 3.23Å; T407-K409 VanDerWaalsContact O-N 3.15Å; K409-V411 VanDerWaalsContact C-N 3.29Å; K409-E412 PolarHBondContact O-N 3.37Å; K409-L413 PolarHBondContact O-N 3.13Å; K409-L413 VanDerWaalsContact O-N 3.07Å
410	E	95.7	Very high	93	Very high	44 Å²	44	69.7 Å²	69.7	21%	0.206	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-35.8	174.6	-69	162.4	122.5	0	0	110.6	N406 T407 L413 I414 L469 K471	N406-E410 HydrophobicContact CB-CB 4.08Å; T407-E410 WeakPolarHBondContact CB-OE2 3.19Å; T407-E410 WeakPolarHBondContact CG2-OE2 3.47Å; T407-E410 PolarHBondContact N-OE2 2.92Å; T407-E410 PolarHBondContact O-N 3.03Å; T407-E410 VanDerWaalsContact O-N 3.08Å; T407-E410 WeakPolarHBondContact OG1-CG 3.34Å; T407-E410 PolarHBondContact OG1-OE2 3.36Å; E410-L413 PolarHBondContact O-N 3.06Å; E410-I414 WeakPolarHBondContact O-CB 3.45Å; E410-I414 WeakPolarHBondContact O-CD1 3.5Å; E410-I414 WeakPolarHBondContact O-CG1 3.27Å; E410-I414 PolarHBondContact O-N 3.48Å; E410-L469 HydrophobicContact CB-CD2 3.89Å; E410-L469 HydrophobicContact CG-CD2 3.95Å; E410-K471 WeakPolarHBondContact OE1-CE 3.36Å; E410-K471 IonicContact OE1-NZ 3.21Å; E410-K471 PolarHBondContact OE1-NZ 2.7Å
411	V	96.4	Very high	93.1	Very high	34 Å²	34	68.4 Å²	68.4	21%	0.206	35%	0.351	C	S	.	.	H	α-helix	trans	-61.6	-43.3	172.3	173.1	0	0	0	0	111.8	N406 T407 A408 K409 N415 Q443	N406-V411 HydrophobicContact CB-CG2 4.33Å; T407-V411 WeakPolarHBondContact O-CG2 3.24Å; T407-V411 PolarHBondContact O-N 3.48Å; A408-V411 WeakPolarHBondContact O-CB 3.26Å; A408-V411 PolarHBondContact O-N 3.08Å; K409-V411 VanDerWaalsContact C-N 3.29Å; V411-N415 VanDerWaalsContact O-CG 3.24Å; V411-N415 PolarHBondContact O-N 3.33Å; V411-N415 PolarHBondContact O-ND2 3.3Å; V411-Q443 HydrophobicContact CG1-CB 4.33Å; V411-Q443 HydrophobicContact CG1-CG 4.14Å; V411-Q443 HydrophobicContact CG2-CB 4.5Å; V411-Q443 WeakPolarHBondContact CG2-O 3.48Å
412	E	96.3	Very high	93.4	Very high	140 Å²	140	62.4 Å²	62.4	65%	0.654	32%	0.323	S	S	*	.	H	α-helix	trans	-60.2	-48.1	173.5	-84.5	-179	145.3	0	0	112	A408 K409 I414 N415 E416	A408-E412 PolarHBondContact O-N 3.2Å; K409-E412 PolarHBondContact O-N 3.37Å; E412-I414 PolarHBondContact O-N 2.59Å; E412-N415 WeakPolarHBondContact O-CB 3.47Å; E412-N415 PolarHBondContact O-N 2.91Å; E412-N415 VanDerWaalsContact O-N 3.13Å; E412-E416 PolarHBondContact O-N 3.44Å
413	L	95.5	Very high	93.6	Very high	76 Å²	76	60.1 Å²	60.1	40%	0.398	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-38	180	-173.1	59.3	0	0	0	112.5	K409 E410 N415 E416 V417 L469	K409-L413 PolarHBondContact O-N 3.13Å; K409-L413 VanDerWaalsContact O-N 3.07Å; E410-L413 PolarHBondContact O-N 3.06Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 3.03Å; L413-E416 PolarHBondContact O-N 3.26Å; L413-V417 HydrophobicContact CD1-CG2 4.33Å; L413-V417 WeakPolarHBondContact O-CG2 3.23Å; L413-V417 PolarHBondContact O-N 3.08Å; L413-L469 HydrophobicContact CD2-CD1 4.02Å; L413-L469 HydrophobicContact CD2-CD2 4.2Å; L413-L469 HydrophobicContact CG-CD1 4.01Å
414	I	95.9	Very high	93.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-44	172.1	-71.5	163	0	0	0	110.7	N406 E410 E412 F418 L439 L442 L464 L469	N406-I414 WeakPolarHBondContact ND2-CD1 3.49Å; E410-I414 WeakPolarHBondContact O-CB 3.45Å; E410-I414 WeakPolarHBondContact O-CD1 3.5Å; E410-I414 WeakPolarHBondContact O-CG1 3.27Å; E410-I414 PolarHBondContact O-N 3.48Å; E412-I414 PolarHBondContact O-N 2.59Å; I414-F418 WeakPolarHBondContact O-CB 3.38Å; I414-F418 PolarHBondContact O-N 3.33Å; I414-L439 HydrophobicContact CG2-CD1 4.48Å; I414-L442 WeakPolarHBondContact CD1-O 3.35Å; I414-L442 HydrophobicContact CG2-CB 4.13Å; I414-L464 HydrophobicContact CG1-CD2 4.14Å; I414-L464 HydrophobicContact CG2-CD1 4.26Å; I414-L469 HydrophobicContact CD1-CB 4.05Å; I414-L469 HydrophobicContact CG1-CB 3.83Å; I414-L469 HydrophobicContact CG1-CD1 3.99Å; I414-L469 HydrophobicContact CG1-CD2 4.31Å; I414-L469 HydrophobicContact CG1-CG 4.26Å
415	N	96.1	Very high	93.5	Very high	47 Å²	47	61.4 Å²	61.4	25%	0.251	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-41.9	177.3	-72.3	-36.8	0	0	0	111.7	V411 E412 L413 Q419 Q443	V411-N415 VanDerWaalsContact O-CG 3.24Å; V411-N415 PolarHBondContact O-N 3.33Å; V411-N415 PolarHBondContact O-ND2 3.3Å; E412-N415 WeakPolarHBondContact O-CB 3.47Å; E412-N415 PolarHBondContact O-N 2.91Å; E412-N415 VanDerWaalsContact O-N 3.13Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 3.03Å; N415-Q419 VanDerWaalsContact O-CB 3.24Å; N415-Q419 WeakPolarHBondContact O-CB 3.34Å; N415-Q419 WeakPolarHBondContact O-CG 3.21Å; N415-Q419 PolarHBondContact O-N 3.28Å; N415-Q443 PolarHBondContact OD1-NE2 2.82Å
416	E	94.9	Very high	93.4	Very high	118 Å²	118	62.2 Å²	62.2	55%	0.551	33%	0.333	S	S	*	.	H	α-helix	trans	-62.3	-55	177.2	-175.8	177.5	179.3	0	0	111.7	E412 L413 F418 Q419 N420	E412-E416 PolarHBondContact O-N 3.44Å; L413-E416 PolarHBondContact O-N 3.26Å; E416-F418 VanDerWaalsContact C-N 3.35Å; E416-F418 PolarHBondContact O-N 3.5Å; E416-Q419 PolarHBondContact O-N 3.05Å; E416-N420 WeakPolarHBondContact O-CB 3.47Å; E416-N420 VanDerWaalsContact O-CG 3.23Å; E416-N420 PolarHBondContact O-N 3.38Å; E416-N420 PolarHBondContact O-ND2 3.18Å
417	V	93.3	Very high	93.2	Very high	38 Å²	38	69.9 Å²	69.9	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-44.4	180	173.9	0	0	0	0	111.2	L413 N420 A421 I463 L464	L413-V417 HydrophobicContact CD1-CG2 4.33Å; L413-V417 WeakPolarHBondContact O-CG2 3.23Å; L413-V417 PolarHBondContact O-N 3.08Å; V417-N420 PolarHBondContact O-N 3.31Å; V417-A421 PolarHBondContact O-N 2.54Å; V417-I463 HydrophobicContact CG1-CG2 4.26Å; V417-L464 HydrophobicContact CB-CD2 3.99Å; V417-L464 HydrophobicContact CG1-CD2 3.8Å; V417-L464 HydrophobicContact CG1-CG 4.44Å
418	F	94.5	Very high	93	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.018	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-45.2	178.5	-172.5	-87.8	0	0	0	111.8	I414 E416 N420 A421 I422 I435 L439 L442 L457 V460	I414-F418 WeakPolarHBondContact O-CB 3.38Å; I414-F418 PolarHBondContact O-N 3.33Å; E416-F418 VanDerWaalsContact C-N 3.35Å; E416-F418 PolarHBondContact O-N 3.5Å; F418-N420 PolarHBondContact O-N 2.97Å; F418-A421 PolarHBondContact O-N 3.47Å; F418-I422 HydrophobicContact CD1-CG1 3.83Å; F418-I422 HydrophobicContact CE1-CB 4.48Å; F418-I422 HydrophobicContact CE1-CG1 3.62Å; F418-I422 HydrophobicContact CE2-CG1 4.36Å; F418-I422 HydrophobicContact CG-CG1 4.32Å; F418-I422 HydrophobicContact CZ-CD1 4.41Å; F418-I422 HydrophobicContact CZ-CG1 3.91Å; F418-I422 VanDerWaalsContact O-CB 3.29Å; F418-I422 WeakPolarHBondContact O-CB 3.34Å; F418-I422 VanDerWaalsContact O-CG1 3.22Å; F418-I422 WeakPolarHBondContact O-CG1 3.38Å; F418-I422 PolarHBondContact O-N 3.25Å; F418-I435 HydrophobicContact CE1-CG2 4Å; F418-I435 HydrophobicContact CZ-CG2 3.68Å; F418-L439 HydrophobicContact CB-CD1 4.15Å; F418-L439 HydrophobicContact CD1-CB 4.45Å; F418-L439 HydrophobicContact CD1-CD1 3.77Å; F418-L439 HydrophobicContact CD1-CD2 4.04Å; F418-L439 HydrophobicContact CD1-CG 4.3Å; F418-L439 HydrophobicContact CD2-CD1 4.15Å; F418-L439 HydrophobicContact CE1-CB 3.92Å; F418-L439 HydrophobicContact CE1-CD1 4.11Å; F418-L439 HydrophobicContact CE1-CD2 4Å; F418-L439 HydrophobicContact CE1-CG 4.23Å; F418-L439 HydrophobicContact CE2-CB 4.4Å; F418-L439 HydrophobicContact CE2-CD1 4.49Å; F418-L439 HydrophobicContact CG-CD1 3.77Å; F418-L439 HydrophobicContact CZ-CB 3.89Å; F418-L439 HydrophobicContact CZ-CD1 4.46Å; F418-L442 HydrophobicContact CD2-CD1 3.64Å; F418-L442 HydrophobicContact CE2-CD1 3.64Å; F418-L457 HydrophobicContact CE2-CD2 4.08Å; F418-L457 HydrophobicContact CZ-CD2 4.34Å; F418-V460 HydrophobicContact CD2-CG1 3.88Å
419	Q	93.3	Very high	92.8	Very high	87 Å²	87	69.1 Å²	69.1	41%	0.407	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-39.4	177.3	-72	-64.9	-25.5	0	0	111.6	N415 E416 I422 N423	N415-Q419 VanDerWaalsContact O-CB 3.24Å; N415-Q419 WeakPolarHBondContact O-CB 3.34Å; N415-Q419 WeakPolarHBondContact O-CG 3.21Å; N415-Q419 PolarHBondContact O-N 3.28Å; E416-Q419 PolarHBondContact O-N 3.05Å; Q419-I422 PolarHBondContact O-N 2.89Å; Q419-N423 WeakPolarHBondContact O-CB 3.22Å; Q419-N423 PolarHBondContact O-N 2.85Å; Q419-N423 PolarHBondContact O-ND2 2.72Å
420	N	92	Very high	92.7	Very high	95 Å²	95	64.7 Å²	64.7	51%	0.508	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-44.5	176.6	-72.7	-21.5	0	0	0	112.1	E416 V417 F418 N423	E416-N420 WeakPolarHBondContact O-CB 3.47Å; E416-N420 VanDerWaalsContact O-CG 3.23Å; E416-N420 PolarHBondContact O-N 3.38Å; E416-N420 PolarHBondContact O-ND2 3.18Å; V417-N420 PolarHBondContact O-N 3.31Å; F418-N420 PolarHBondContact O-N 2.97Å; N420-N423 PolarHBondContact O-N 2.69Å
421	A	91.4	Very high	92.5	Very high	10 Å²	10	70.3 Å²	70.3	8%	0.083	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-47.2	174.5	0	0	0	0	0	112.8	V417 F418 N423 L424 V460 L1053	V417-A421 PolarHBondContact O-N 2.54Å; F418-A421 PolarHBondContact O-N 3.47Å; A421-N423 PolarHBondContact O-N 2.72Å; A421-L424 WeakPolarHBondContact O-CB 3.29Å; A421-L424 PolarHBondContact O-N 3.36Å; A421-V460 HydrophobicContact CB-CG2 3.33Å; A421-L1053 HydrophobicContact CB-CD1 3.72Å; A421-L1053 HydrophobicContact CB-CD2 4.06Å
422	I	91.9	Very high	92.3	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-71.7	-17.3	-178.8	-64.1	-57.2	0	0	0	112.2	F418 Q419 L424 L425 R430 I435 L457	F418-I422 HydrophobicContact CD1-CG1 3.83Å; F418-I422 HydrophobicContact CE1-CB 4.48Å; F418-I422 HydrophobicContact CE1-CG1 3.62Å; F418-I422 HydrophobicContact CE2-CG1 4.36Å; F418-I422 HydrophobicContact CG-CG1 4.32Å; F418-I422 HydrophobicContact CZ-CD1 4.41Å; F418-I422 HydrophobicContact CZ-CG1 3.91Å; F418-I422 VanDerWaalsContact O-CB 3.29Å; F418-I422 WeakPolarHBondContact O-CB 3.34Å; F418-I422 VanDerWaalsContact O-CG1 3.22Å; F418-I422 WeakPolarHBondContact O-CG1 3.38Å; F418-I422 PolarHBondContact O-N 3.25Å; Q419-I422 PolarHBondContact O-N 2.89Å; I422-L424 PolarHBondContact O-N 3.04Å; I422-L425 HydrophobicContact CD1-CD1 3.9Å; I422-L425 WeakPolarHBondContact O-CB 3.38Å; I422-L425 PolarHBondContact O-N 3.15Å; I422-L425 VanDerWaalsContact O-N 3.1Å; I422-R430 HydrophobicContact CG2-CB 4.15Å; I422-R430 HydrophobicContact CG2-CG 3.66Å; I422-R430 WeakPolarHBondContact O-CG 3.28Å; I422-R430 PolarHBondContact O-NE 2.96Å; I422-I435 HydrophobicContact CD1-CD1 4.28Å; I422-I435 HydrophobicContact CD1-CG2 3.95Å; I422-I435 HydrophobicContact CG1-CG2 4.19Å; I422-I435 HydrophobicContact CG2-CG2 4.28Å; I422-L457 HydrophobicContact CD1-CD2 4.09Å
423	N	91	Very high	92	Very high	78 Å²	78	65.6 Å²	65.6	42%	0.417	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.1	171.8	-87.6	-37.7	0	0	0	113.9	Q419 N420 A421 L425 R430	Q419-N423 WeakPolarHBondContact O-CB 3.22Å; Q419-N423 PolarHBondContact O-N 2.85Å; Q419-N423 PolarHBondContact O-ND2 2.72Å; N420-N423 PolarHBondContact O-N 2.69Å; A421-N423 PolarHBondContact O-N 2.72Å; N423-L425 VanDerWaalsContact C-N 3.28Å; N423-R430 PolarHBondContact O-NH2 3.27Å; N423-R430 PolarHBondContact OD1-NH1 2.84Å
424	L	87.8	Confident	91.7	Very high	127 Å²	127	63.9 Å²	63.9	67%	0.665	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-20	171.2	-70.5	151.3	0	0	0	112.8	A421 I422 L1053	A421-L424 WeakPolarHBondContact O-CB 3.29Å; A421-L424 PolarHBondContact O-N 3.36Å; I422-L424 PolarHBondContact O-N 3.04Å; L424-L1053 HydrophobicContact CD1-CD2 3.41Å; L424-L1053 VanDerWaalsContact CD1-CD2 3.41Å
425	L	89.2	Confident	91.6	Very high	9 Å²	9	64 Å²	64	5%	0.047	32%	0.318	C	S	.	.	S	Bend	trans	-84.8	157.9	-179.1	-60.4	-179.9	0	0	0	112.9	I422 N423 D429 R430 I435 I456 I1047 A1050	I422-L425 HydrophobicContact CD1-CD1 3.9Å; I422-L425 WeakPolarHBondContact O-CB 3.38Å; I422-L425 PolarHBondContact O-N 3.15Å; I422-L425 VanDerWaalsContact O-N 3.1Å; N423-L425 VanDerWaalsContact C-N 3.28Å; L425-D429 HydrophobicContact CB-CB 4.12Å; L425-R430 HydrophobicContact CB-CG 4.02Å; L425-R430 PolarHBondContact O-NE 3.21Å; L425-R430 PolarHBondContact O-NH2 3.12Å; L425-I435 HydrophobicContact CD1-CD1 3.65Å; L425-I456 HydrophobicContact CD1-CD1 4.13Å; L425-I456 HydrophobicContact CD1-CG2 4.25Å; L425-I456 HydrophobicContact CD2-CD1 3.81Å; L425-I456 HydrophobicContact CG-CD1 3.82Å; L425-I1047 HydrophobicContact CD1-CD1 3.99Å; L425-I1047 HydrophobicContact CD2-CB 4.42Å; L425-I1047 HydrophobicContact CD2-CD1 4.3Å; L425-I1047 HydrophobicContact CD2-CG1 3.94Å; L425-A1050 HydrophobicContact CD2-CB 3.93Å
426	S	89.5	Confident	91.4	Very high	53 Å²	53	65.3 Å²	65.3	37%	0.371	33%	0.328	S	S	.	.			trans	-63.4	154.8	173.4	83.3	0	0	0	0	111.8	E428 D429 R430	S426-E428 PolarHBondContact O-N 3.34Å; S426-D429 WeakPolarHBondContact CB-OD2 3.25Å; S426-D429 PolarHBondContact O-N 2.97Å; S426-D429 WeakPolarHBondContact OG-CB 3.34Å; S426-D429 PolarHBondContact OG-N 2.94Å; S426-D429 VanDerWaalsContact OG-N 3.13Å; S426-D429 PolarHBondContact OG-OD2 3.05Å; S426-R430 VanDerWaalsContact O-CG 3.27Å; S426-R430 WeakPolarHBondContact O-CG 3.15Å; S426-R430 PolarHBondContact O-N 2.97Å
427	K	89.4	Confident	91.2	Very high	171 Å²	171	63.9 Å²	63.9	74%	0.743	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.7	-179.4	-67.9	-176.5	-178.7	176.4	0	114.1	K431	K427-K431 WeakPolarHBondContact O-CE 3.47Å
428	E	88.7	Confident	91.2	Very high	136 Å²	136	62.5 Å²	62.5	64%	0.636	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-50.5	175.9	-67.7	175.3	177.1	0	0	110.2	S426 R430 K431	S426-E428 PolarHBondContact O-N 3.34Å; E428-R430 PolarHBondContact O-N 2.89Å; E428-K431 WeakPolarHBondContact O-CB 3.5Å; E428-K431 PolarHBondContact O-N 3.1Å
429	D	91.2	Very high	91.2	Very high	10 Å²	10	63.6 Å²	63.6	5%	0.053	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-56.7	-37.6	177.7	-65.9	-50.4	0	0	0	112	L425 S426 K431 L432 I435 I1047	L425-D429 HydrophobicContact CB-CB 4.12Å; S426-D429 WeakPolarHBondContact CB-OD2 3.25Å; S426-D429 PolarHBondContact O-N 2.97Å; S426-D429 WeakPolarHBondContact OG-CB 3.34Å; S426-D429 PolarHBondContact OG-N 2.94Å; S426-D429 VanDerWaalsContact OG-N 3.13Å; S426-D429 PolarHBondContact OG-OD2 3.05Å; D429-K431 PolarHBondContact O-N 2.96Å; D429-L432 HydrophobicContact CB-CD1 4.3Å; D429-L432 VanDerWaalsContact O-CB 3.26Å; D429-L432 WeakPolarHBondContact O-CB 3.37Å; D429-L432 WeakPolarHBondContact O-CD1 3.45Å; D429-L432 WeakPolarHBondContact O-CG 3.24Å; D429-L432 PolarHBondContact O-N 3.36Å; D429-I435 WeakPolarHBondContact O-CD1 3.33Å; D429-I1047 HydrophobicContact CB-CB 4.2Å; D429-I1047 HydrophobicContact CB-CD1 4.46Å; D429-I1047 PolarHBondContact OD2-N 3.44Å
430	R	92	Very high	91.3	Very high	77 Å²	77	61.9 Å²	61.9	29%	0.291	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-58	-20.9	175.7	-66.9	178.5	-154.6	-158.8	-1.7	114.7	I422 N423 L425 S426 E428	I422-R430 HydrophobicContact CG2-CB 4.15Å; I422-R430 HydrophobicContact CG2-CG 3.66Å; I422-R430 WeakPolarHBondContact O-CG 3.28Å; I422-R430 PolarHBondContact O-NE 2.96Å; N423-R430 PolarHBondContact O-NH2 3.27Å; N423-R430 PolarHBondContact OD1-NH1 2.84Å; L425-R430 HydrophobicContact CB-CG 4.02Å; L425-R430 PolarHBondContact O-NE 3.21Å; L425-R430 PolarHBondContact O-NH2 3.12Å; S426-R430 VanDerWaalsContact O-CG 3.27Å; S426-R430 WeakPolarHBondContact O-CG 3.15Å; S426-R430 PolarHBondContact O-N 2.97Å; E428-R430 PolarHBondContact O-N 2.89Å
431	K	91.5	Very high	91.4	Very high	162 Å²	162	57.5 Å²	57.5	70%	0.704	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-94.2	1.9	-179.5	-59.6	176.7	-174.6	174.1	0	113	K427 E428 D429	K427-K431 WeakPolarHBondContact O-CE 3.47Å; E428-K431 WeakPolarHBondContact O-CB 3.5Å; E428-K431 PolarHBondContact O-N 3.1Å; D429-K431 PolarHBondContact O-N 2.96Å
432	L	92.9	Very high	91.7	Very high	3 Å²	3	57 Å²	57	2%	0.016	29%	0.294	C	S	.	.			trans	-55.1	130.7	177.2	-76.5	168.8	0	0	0	110.4	D429 Q434 I435 T436 L454 F992 A993 I1047	D429-L432 HydrophobicContact CB-CD1 4.3Å; D429-L432 VanDerWaalsContact O-CB 3.26Å; D429-L432 WeakPolarHBondContact O-CB 3.37Å; D429-L432 WeakPolarHBondContact O-CD1 3.45Å; D429-L432 WeakPolarHBondContact O-CG 3.24Å; D429-L432 PolarHBondContact O-N 3.36Å; L432-Q434 PolarHBondContact O-N 3.48Å; L432-Q434 VanDerWaalsContact O-N 3.11Å; L432-I435 HydrophobicContact CB-CD1 4.19Å; L432-I435 HydrophobicContact CB-CG1 4.22Å; L432-I435 HydrophobicContact CD1-CD1 4.41Å; L432-I435 PolarHBondContact O-N 3.34Å; L432-T436 PolarHBondContact O-N 3.3Å; L432-L454 HydrophobicContact CD1-CD1 4.47Å; L432-F992 HydrophobicContact CD1-CD1 3.69Å; L432-F992 HydrophobicContact CD1-CE1 4.4Å; L432-F992 HydrophobicContact CD1-CG 4.49Å; L432-F992 HydrophobicContact CD2-CD1 3.85Å; L432-F992 HydrophobicContact CG-CD1 4.46Å; L432-A993 HydrophobicContact CD2-CB 3.82Å; L432-I1047 HydrophobicContact CD1-CD1 3.67Å; L432-I1047 HydrophobicContact CD1-CG2 4.38Å
433	P	90.4	Very high	91.8	Very high	73 Å²	73	59.5 Å²	59.5	47%	0.474	31%	0.305	S	S	.	.	H	α-helix	trans	-48.6	-43.9	-177.7	-30.9	35.8	0	0	0	112.7	I435 T436 T437	P433-I435 VanDerWaalsContact C-N 3.27Å; P433-I435 PolarHBondContact O-N 2.9Å; P433-T436 WeakPolarHBondContact CA-OG1 3.42Å; P433-T436 PolarHBondContact O-N 3.36Å; P433-T436 VanDerWaalsContact O-N 3.08Å; P433-T436 PolarHBondContact O-OG1 3.46Å; P433-T437 WeakPolarHBondContact O-CG2 3.33Å; P433-T437 PolarHBondContact O-N 3.24Å; P433-T437 PolarHBondContact O-OG1 2.79Å
434	Q	89.8	Confident	92.1	Very high	39 Å²	39	60 Å²	60	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-31.3	-178.9	-54.8	79.1	2.9	0	0	113.5	L432 L438 L454 E1003	L432-Q434 PolarHBondContact O-N 3.48Å; L432-Q434 VanDerWaalsContact O-N 3.11Å; Q434-L438 WeakPolarHBondContact O-CB 3.47Å; Q434-L454 HydrophobicContact CB-CD1 4.25Å; Q434-E1003 HydrophobicContact CG-CG 4.02Å; Q434-E1003 WeakPolarHBondContact CG-OE1 3.39Å; Q434-E1003 PolarHBondContact NE2-OE1 3.4Å
435	I	92.5	Very high	92.4	Very high	3 Å²	3	54 Å²	54	2%	0.015	27%	0.27	C	S	.	.	H	α-helix	trans	-79.1	-46	175.1	-60.3	179.4	0	0	0	109.4	F418 I422 L425 D429 L432 P433 L438 L439 L454 L457 I1047	F418-I435 HydrophobicContact CE1-CG2 4Å; F418-I435 HydrophobicContact CZ-CG2 3.68Å; I422-I435 HydrophobicContact CD1-CD1 4.28Å; I422-I435 HydrophobicContact CD1-CG2 3.95Å; I422-I435 HydrophobicContact CG1-CG2 4.19Å; I422-I435 HydrophobicContact CG2-CG2 4.28Å; L425-I435 HydrophobicContact CD1-CD1 3.65Å; D429-I435 WeakPolarHBondContact O-CD1 3.33Å; L432-I435 HydrophobicContact CB-CD1 4.19Å; L432-I435 HydrophobicContact CB-CG1 4.22Å; L432-I435 HydrophobicContact CD1-CD1 4.41Å; L432-I435 PolarHBondContact O-N 3.34Å; P433-I435 VanDerWaalsContact C-N 3.27Å; P433-I435 PolarHBondContact O-N 2.9Å; I435-L438 PolarHBondContact O-N 3.22Å; I435-L439 PolarHBondContact O-N 3.35Å; I435-L454 HydrophobicContact CD1-CD1 4.31Å; I435-L454 HydrophobicContact CG1-CD1 3.92Å; I435-L457 HydrophobicContact CG1-CD1 4.06Å; I435-L457 HydrophobicContact CG1-CD2 4.18Å; I435-L457 HydrophobicContact CG1-CG 4.34Å; I435-I1047 HydrophobicContact CD1-CD1 4.3Å
436	T	92	Very high	92.8	Very high	75 Å²	75	53.5 Å²	53.5	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-69.2	-34.2	-176.2	64.4	0	0	0	0	113.9	L432 P433 P440	L432-T436 PolarHBondContact O-N 3.3Å; P433-T436 WeakPolarHBondContact CA-OG1 3.42Å; P433-T436 PolarHBondContact O-N 3.36Å; P433-T436 VanDerWaalsContact O-N 3.08Å; P433-T436 PolarHBondContact O-OG1 3.46Å; T436-P440 VanDerWaalsContact O-CD 3.23Å; T436-P440 WeakPolarHBondContact O-CD 3.1Å
437	T	91.6	Very high	93.1	Very high	87 Å²	87	51 Å²	51	53%	0.534	25%	0.25	S	C	.	.	H	α-helix	trans	-78	-28.3	178.1	54.6	0	0	0	0	112.8	P433	P433-T437 WeakPolarHBondContact O-CG2 3.33Å; P433-T437 PolarHBondContact O-N 3.24Å; P433-T437 PolarHBondContact O-OG1 2.79Å
438	L	93.2	Very high	93.4	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-76.9	-35	-178.7	-175.1	65.5	0	0	0	112.7	Q434 I435 V441 L442 I448 L457 I461	Q434-L438 WeakPolarHBondContact O-CB 3.47Å; I435-L438 PolarHBondContact O-N 3.22Å; L438-V441 HydrophobicContact CD1-CB 4.45Å; L438-V441 WeakPolarHBondContact O-CA 3.41Å; L438-V441 WeakPolarHBondContact O-CB 3.31Å; L438-V441 PolarHBondContact O-N 2.85Å; L438-L442 HydrophobicContact CD1-CG 4.43Å; L438-L442 HydrophobicContact CD2-CD1 4.24Å; L438-L442 HydrophobicContact CG-CD1 3.99Å; L438-L442 HydrophobicContact CG-CG 4.03Å; L438-L442 WeakPolarHBondContact O-CG 3.4Å; L438-L442 PolarHBondContact O-N 3.34Å; L438-I448 HydrophobicContact CD1-CD1 4.28Å; L438-L457 HydrophobicContact CD2-CB 4.17Å; L438-L457 HydrophobicContact CD2-CD1 3.87Å; L438-L457 HydrophobicContact CD2-CD2 4.14Å; L438-L457 HydrophobicContact CD2-CG 4.29Å; L438-I461 HydrophobicContact CD2-CD1 3.75Å; L438-I461 HydrophobicContact CD2-CG1 4.46Å
439	L	94.2	Very high	93.7	Very high	27 Å²	27	37.1 Å²	37.1	14%	0.141	19%	0.188	C	C	.	.	H	α-helix	trans	-55.5	-47.4	-177.9	176.1	60.2	0	0	0	113.6	I414 F418 I435 V441 L442 Q443	I414-L439 HydrophobicContact CG2-CD1 4.48Å; F418-L439 HydrophobicContact CB-CD1 4.15Å; F418-L439 HydrophobicContact CD1-CB 4.45Å; F418-L439 HydrophobicContact CD1-CD1 3.77Å; F418-L439 HydrophobicContact CD1-CD2 4.04Å; F418-L439 HydrophobicContact CD1-CG 4.3Å; F418-L439 HydrophobicContact CD2-CD1 4.15Å; F418-L439 HydrophobicContact CE1-CB 3.92Å; F418-L439 HydrophobicContact CE1-CD1 4.11Å; F418-L439 HydrophobicContact CE1-CD2 4Å; F418-L439 HydrophobicContact CE1-CG 4.23Å; F418-L439 HydrophobicContact CE2-CB 4.4Å; F418-L439 HydrophobicContact CE2-CD1 4.49Å; F418-L439 HydrophobicContact CG-CD1 3.77Å; F418-L439 HydrophobicContact CZ-CB 3.89Å; F418-L439 HydrophobicContact CZ-CD1 4.46Å; I435-L439 PolarHBondContact O-N 3.35Å; L439-V441 PolarHBondContact O-N 3.37Å; L439-L442 PolarHBondContact O-N 3.45Å; L439-Q443 HydrophobicContact CD1-CG 4.14Å; L439-Q443 HydrophobicContact CG-CG 4.45Å; L439-Q443 VanDerWaalsContact O-CG 3.32Å; L439-Q443 WeakPolarHBondContact O-CG 3.4Å; L439-Q443 PolarHBondContact O-N 3.46Å
440	P	94.8	Very high	93.8	Very high	51 Å²	51	36.6 Å²	36.6	33%	0.331	19%	0.185	S	C	.	.	H	α-helix	trans	-57.4	-33.9	173.5	-26.9	35.4	0	0	0	114.3	F400 T436 R444	F400-P440 HydrophobicContact CE2-CB 4.15Å; F400-P440 VanDerWaalsContact CE2-O 3.29Å; F400-P440 WeakPolarHBondContact CE2-O 3.39Å; F400-P440 HydrophobicContact CZ-CB 4.12Å; T436-P440 VanDerWaalsContact O-CD 3.23Å; T436-P440 WeakPolarHBondContact O-CD 3.1Å; P440-R444 PolarHBondContact O-N 3.2Å
441	V	95.6	Very high	93.6	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-68.3	-46.8	178	-177.3	0	0	0	0	110.1	M397 F400 L438 L439 Q443 R444 V446	M397-V441 HydrophobicContact SD-CG2 3.91Å; F400-V441 HydrophobicContact CB-CG1 4.24Å; F400-V441 HydrophobicContact CD1-CG2 4.21Å; F400-V441 HydrophobicContact CD2-CB 4.2Å; F400-V441 HydrophobicContact CD2-CG1 4.44Å; F400-V441 HydrophobicContact CD2-CG2 3.99Å; F400-V441 HydrophobicContact CE1-CG2 4.47Å; F400-V441 HydrophobicContact CE2-CG2 4.27Å; F400-V441 HydrophobicContact CG-CB 4.47Å; F400-V441 HydrophobicContact CG-CG1 4.44Å; F400-V441 HydrophobicContact CG-CG2 3.96Å; F400-V441 HydrophobicContact CZ-CG2 4.5Å; L438-V441 HydrophobicContact CD1-CB 4.45Å; L438-V441 WeakPolarHBondContact O-CA 3.41Å; L438-V441 WeakPolarHBondContact O-CB 3.31Å; L438-V441 PolarHBondContact O-N 2.85Å; L439-V441 PolarHBondContact O-N 3.37Å; V441-Q443 PolarHBondContact O-N 2.84Å; V441-R444 PolarHBondContact O-N 3.38Å; V441-V446 CarbonylContact C-O 3.58Å; V441-V446 HydrophobicContact CG1-CB 3.78Å; V441-V446 HydrophobicContact CG1-CG1 3.81Å; V441-V446 PolarHBondContact O-N 2.9Å; V441-V446 VanDerWaalsContact O-O 3.14Å
442	L	96.3	Very high	93.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-44.3	175.2	-63.3	173.3	0	0	0	111.9	I414 F418 L438 L439 R444 G445 V446 I461 L464 I470	I414-L442 WeakPolarHBondContact CD1-O 3.35Å; I414-L442 HydrophobicContact CG2-CB 4.13Å; F418-L442 HydrophobicContact CD2-CD1 3.64Å; F418-L442 HydrophobicContact CE2-CD1 3.64Å; L438-L442 HydrophobicContact CD1-CG 4.43Å; L438-L442 HydrophobicContact CD2-CD1 4.24Å; L438-L442 HydrophobicContact CG-CD1 3.99Å; L438-L442 HydrophobicContact CG-CG 4.03Å; L438-L442 WeakPolarHBondContact O-CG 3.4Å; L438-L442 PolarHBondContact O-N 3.34Å; L439-L442 PolarHBondContact O-N 3.45Å; L442-R444 PolarHBondContact O-N 3.44Å; L442-G445 WeakPolarHBondContact O-CA 3.33Å; L442-G445 PolarHBondContact O-N 3.26Å; L442-V446 WeakPolarHBondContact CA-O 3.2Å; L442-V446 PolarHBondContact N-O 3.32Å; L442-I461 HydrophobicContact CD2-CG1 3.91Å; L442-L464 HydrophobicContact CB-CD1 4.49Å; L442-L464 HydrophobicContact CD1-CD1 4.03Å; L442-L464 HydrophobicContact CD2-CD1 4.28Å; L442-I470 HydrophobicContact CD2-CD1 3.91Å; L442-I470 HydrophobicContact CD2-CG1 4.43Å
443	Q	95.6	Very high	93.7	Very high	55 Å²	55	27.7 Å²	27.7	26%	0.257	15%	0.153	S	C	.	.	H	α-helix	trans	-54.5	-38	177.8	-74.1	173.4	-12.9	0	0	112.1	N406 V411 N415 L439 V441 G445	N406-Q443 WeakPolarHBondContact CB-O 3.31Å; N406-Q443 PolarHBondContact ND2-O 3.09Å; V411-Q443 HydrophobicContact CG1-CB 4.33Å; V411-Q443 HydrophobicContact CG1-CG 4.14Å; V411-Q443 HydrophobicContact CG2-CB 4.5Å; V411-Q443 WeakPolarHBondContact CG2-O 3.48Å; N415-Q443 PolarHBondContact OD1-NE2 2.82Å; L439-Q443 HydrophobicContact CD1-CG 4.14Å; L439-Q443 HydrophobicContact CG-CG 4.45Å; L439-Q443 VanDerWaalsContact O-CG 3.32Å; L439-Q443 WeakPolarHBondContact O-CG 3.4Å; L439-Q443 PolarHBondContact O-N 3.46Å; V441-Q443 PolarHBondContact O-N 2.84Å; Q443-G445 PolarHBondContact O-N 3.42Å
444	R	95.3	Very high	93.9	Very high	89 Å²	89	24.3 Å²	24.3	34%	0.336	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1.1	176	-67.2	-162.6	-174.1	-170.6	-2	114.7	F400 E401 N404 F405 P440 V441 L442	F400-R444 HydrophobicContact CD2-CB 4.19Å; F400-R444 HydrophobicContact CD2-CG 4.01Å; F400-R444 HydrophobicContact CE2-CG 4Å; F400-R444 VanDerWaalsContact O-CD 3.23Å; F400-R444 WeakPolarHBondContact O-CD 3.37Å; F400-R444 PolarHBondContact O-NH1 3.39Å; E401-R444 PolarHBondContact O-NH1 3.05Å; N404-R444 HydrophobicContact CB-CG 4.45Å; N404-R444 WeakPolarHBondContact OD1-CA 3.47Å; N404-R444 PolarHBondContact OD1-O 2.92Å; F405-R444 WeakPolarHBondContact CB-O 3.25Å; F405-R444 WeakPolarHBondContact CD2-O 3.34Å; F405-R444 PolarHBondContact N-O 3.41Å; P440-R444 PolarHBondContact O-N 3.2Å; V441-R444 PolarHBondContact O-N 3.38Å; L442-R444 PolarHBondContact O-N 3.44Å
445	G	95.7	Very high	93.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	18.7	-178.4	0	0	0	0	0	114.3	N406 L442 Q443 K471 A472	N406-G445 WeakPolarHBondContact ND2-CA 3.15Å; N406-G445 PolarHBondContact ND2-N 3.49Å; L442-G445 WeakPolarHBondContact O-CA 3.33Å; L442-G445 PolarHBondContact O-N 3.26Å; Q443-G445 PolarHBondContact O-N 3.42Å; G445-K471 PolarHBondContact O-N 2.96Å; G445-A472 PolarHBondContact O-N 2.71Å; G445-A472 VanDerWaalsContact O-N 3.12Å
446	V	96.8	Very high	93.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.4	176	-178.3	0	0	0	0	109.2	A396 I399 F405 V441 L442 A472 F474	A396-V446 HydrophobicContact CB-CG1 4.11Å; I399-V446 HydrophobicContact CG2-CG2 3.96Å; F405-V446 HydrophobicContact CD2-CG2 4.01Å; F405-V446 HydrophobicContact CE2-CG2 3.77Å; V441-V446 CarbonylContact C-O 3.58Å; V441-V446 HydrophobicContact CG1-CB 3.78Å; V441-V446 HydrophobicContact CG1-CG1 3.81Å; V441-V446 PolarHBondContact O-N 2.9Å; V441-V446 VanDerWaalsContact O-O 3.14Å; L442-V446 WeakPolarHBondContact CA-O 3.2Å; L442-V446 PolarHBondContact N-O 3.32Å; V446-A472 CarbonylContact C-O 3.53Å; V446-A472 WeakPolarHBondContact CA-O 3.49Å; V446-F474 HydrophobicContact CG1-CD2 4.02Å; V446-F474 HydrophobicContact CG1-CE2 4.15Å
447	G	95.9	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	156.3	175.2	0	0	0	0	0	112	A472 F474	G447-A472 PolarHBondContact N-O 3.19Å; G447-F474 PolarHBondContact O-N 3.1Å
448	I	96.4	Very high	93.9	Very high	11 Å²	11	18.5 Å²	18.5	6%	0.056	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.7	173.4	-57.8	174.1	0	0	0	107.2	E393 A396 L438 L453 I461 F474	E393-I448 HydrophobicContact CG-CG2 4.17Å; A396-I448 HydrophobicContact CB-CD1 3.73Å; A396-I448 HydrophobicContact CB-CG1 3.46Å; A396-I448 VanDerWaalsContact CB-CG1 3.46Å; L438-I448 HydrophobicContact CD1-CD1 4.28Å; I448-L453 HydrophobicContact CB-CD1 4.3Å; I448-L453 HydrophobicContact CG2-CD1 4.14Å; I448-L453 WeakPolarHBondContact O-CD1 3.33Å; I448-I461 WeakPolarHBondContact O-CD1 3.43Å; I448-F474 CarbonylContact C-O 3.54Å; I448-F474 WeakPolarHBondContact CA-O 3.44Å
449	H	94.5	Very high	93.7	Very high	4 Å²	4	19 Å²	19	2%	0.019	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	112.4	178.7	-168.9	-71.5	0	0	0	112.4	E462 L473 F474 A475 T476 F479	H449-E462 IonicContact CD2-OE1 2.83Å; H449-E462 IonicContact CE1-OE1 3.24Å; H449-E462 IonicContact NE2-OE1 3.78Å; H449-E462 PolarHBondContact NE2-OE1 3.17Å; H449-L473 HydrophobicContact CB-CD1 4.1Å; H449-F474 PolarHBondContact N-O 2.66Å; H449-A475 HydrophobicContact CB-CB 4.24Å; H449-A475 CarbonylContact O-C 3.6Å; H449-A475 VanDerWaalsContact O-CA 3.29Å; H449-A475 WeakPolarHBondContact O-CA 3.43Å; H449-T476 PolarHBondContact O-N 3.24Å; H449-F479 HydrophobicContact CB-CD2 4.22Å; H449-F479 AromaticContact CD2-CD2 3.65Å; H449-F479 AromaticContact CE1-CD2 3.72Å; H449-F479 AromaticContact CG-CD2 3.6Å; H449-F479 AromaticContact ND1-CD2 3.7Å; H449-F479 AromaticContact NE2-CD2 3.7Å
450	H	93.1	Very high	93.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.			trans	-158	166.5	169.8	50.9	68.7	0	0	0	112.7	R389 E393 G452 L453 T476	R389-H450 HydrophobicContact CG-CB 4.02Å; E393-H450 VanDerWaalsContact CG-NE2 3.29Å; E393-H450 WeakPolarHBondContact CG-NE2 3.48Å; E393-H450 IonicContact OE1-CE1 3.34Å; E393-H450 PolarHBondContact OE1-CE1 2.89Å; E393-H450 IonicContact OE1-NE2 2.69Å; E393-H450 PolarHBondContact OE1-NE2 3.04Å; H450-G452 WeakPolarHBondContact ND1-CA 3.33Å; H450-G452 PolarHBondContact ND1-N 3.07Å; H450-G452 PolarHBondContact O-N 3.47Å; H450-L453 PolarHBondContact ND1-N 3Å; H450-L453 PolarHBondContact O-N 3.16Å; H450-T476 WeakPolarHBondContact CA-OG1 3.24Å; H450-T476 HydrophobicContact CB-CG2 3.68Å; H450-T476 WeakPolarHBondContact CB-OG1 3.47Å
451	S	88.3	Confident	93.7	Very high	34 Å²	34	15.4 Å²	15.4	24%	0.238	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.4	176.8	61.6	0	0	0	0	115	R1008	S451-R1008 PolarHBondContact O-NH1 2.86Å; S451-R1008 PolarHBondContact O-NH2 3.48Å
452	G	92	Very high	93.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-19.1	173.3	0	0	0	0	0	115.7	H450 G1004	H450-G452 WeakPolarHBondContact ND1-CA 3.33Å; H450-G452 PolarHBondContact ND1-N 3.07Å; H450-G452 PolarHBondContact O-N 3.47Å; G452-G1004 VanDerWaalsContact O-CA 3.3Å; G452-G1004 WeakPolarHBondContact O-CA 3.42Å; G452-G1004 PolarHBondContact O-N 2.92Å
453	L	94	Very high	93.2	Very high	20 Å²	20	17.3 Å²	17.3	11%	0.105	9%	0.085	C	C	.	.	S	Bend	trans	-78.5	151.1	-177.9	-63.9	-178.3	0	0	0	112.2	I448 H450 K458 I461 G1004	I448-L453 HydrophobicContact CB-CD1 4.3Å; I448-L453 HydrophobicContact CG2-CD1 4.14Å; I448-L453 WeakPolarHBondContact O-CD1 3.33Å; H450-L453 PolarHBondContact ND1-N 3Å; H450-L453 PolarHBondContact O-N 3.16Å; L453-K458 HydrophobicContact CB-CG 3.87Å; L453-I461 HydrophobicContact CD1-CD1 3.85Å; L453-G1004 VanDerWaalsContact O-CA 3.25Å; L453-G1004 WeakPolarHBondContact O-CA 3.2Å
454	L	93.6	Very high	93.1	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	7%	0.073	C	C	.	.			trans	-50.6	134	170.3	-61.8	171.8	0	0	0	110.1	L432 Q434 I435 I456 L457 K458 F992 E1003 I1007 I1047	L432-L454 HydrophobicContact CD1-CD1 4.47Å; Q434-L454 HydrophobicContact CB-CD1 4.25Å; I435-L454 HydrophobicContact CD1-CD1 4.31Å; I435-L454 HydrophobicContact CG1-CD1 3.92Å; L454-I456 VanDerWaalsContact C-N 3.34Å; L454-I456 HydrophobicContact CB-CG2 4.49Å; L454-I456 PolarHBondContact O-N 3.1Å; L454-L457 HydrophobicContact CB-CB 4.24Å; L454-L457 HydrophobicContact CB-CD1 4.13Å; L454-L457 HydrophobicContact CB-CG 4.05Å; L454-L457 HydrophobicContact CD1-CD1 3.82Å; L454-L457 HydrophobicContact CD1-CG 4.26Å; L454-L457 HydrophobicContact CG-CD1 4.29Å; L454-L457 WeakPolarHBondContact O-CB 3.32Å; L454-L457 PolarHBondContact O-N 2.69Å; L454-K458 PolarHBondContact O-N 3.04Å; L454-K458 VanDerWaalsContact O-N 3.08Å; L454-F992 HydrophobicContact CD2-CE1 3.92Å; L454-F992 HydrophobicContact CD2-CZ 4.21Å; L454-E1003 HydrophobicContact CD2-CB 3.63Å; L454-E1003 HydrophobicContact CG-CB 4.32Å; L454-I1007 HydrophobicContact CD2-CD1 3.47Å; L454-I1007 VanDerWaalsContact CD2-CD1 3.47Å; L454-I1047 HydrophobicContact CD1-CD1 3.87Å; L454-I1047 HydrophobicContact CD2-CD1 4.21Å
455	P	90.2	Very high	93.1	Very high	34 Å²	34	10.9 Å²	10.9	22%	0.221	6%	0.059	C	C	.	.	H	α-helix	trans	-53.6	-46.4	-175.6	-29.5	36.5	0	0	0	113.9	L457 K458 E459 I1007	P455-L457 VanDerWaalsContact C-N 3.31Å; P455-L457 PolarHBondContact O-N 3.12Å; P455-K458 WeakPolarHBondContact O-CB 3.49Å; P455-K458 PolarHBondContact O-N 3.19Å; P455-K458 VanDerWaalsContact O-N 3.12Å; P455-E459 WeakPolarHBondContact O-CG 3.41Å; P455-E459 PolarHBondContact O-N 2.88Å; P455-I1007 HydrophobicContact CG-CB 4.45Å; P455-I1007 HydrophobicContact CG-CG2 3.77Å
456	I	91.4	Very high	92.7	Very high	7 Å²	7	14.6 Å²	14.6	4%	0.036	9%	0.085	C	C	.	.	H	α-helix	trans	-59.7	-38.1	177	-167.7	172.6	0	0	0	112.6	L425 L454 E459 V460 I1047 L1053	L425-I456 HydrophobicContact CD1-CD1 4.13Å; L425-I456 HydrophobicContact CD1-CG2 4.25Å; L425-I456 HydrophobicContact CD2-CD1 3.81Å; L425-I456 HydrophobicContact CG-CD1 3.82Å; L454-I456 VanDerWaalsContact C-N 3.34Å; L454-I456 HydrophobicContact CB-CG2 4.49Å; L454-I456 PolarHBondContact O-N 3.1Å; I456-E459 PolarHBondContact O-N 3.22Å; I456-V460 WeakPolarHBondContact O-CG2 3.4Å; I456-V460 PolarHBondContact O-N 3.44Å; I456-I1047 HydrophobicContact CG2-CD1 4.48Å; I456-L1053 HydrophobicContact CD1-CD2 4.37Å; I456-L1053 HydrophobicContact CG1-CD1 3.93Å; I456-L1053 HydrophobicContact CG1-CD2 4.27Å; I456-L1053 HydrophobicContact CG1-CG 4.1Å
457	L	93.4	Very high	92.4	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-68	-38.7	176.6	-69.5	-176.2	0	0	0	111.5	F418 I422 I435 L438 L454 P455 V460 I461	F418-L457 HydrophobicContact CE2-CD2 4.08Å; F418-L457 HydrophobicContact CZ-CD2 4.34Å; I422-L457 HydrophobicContact CD1-CD2 4.09Å; I435-L457 HydrophobicContact CG1-CD1 4.06Å; I435-L457 HydrophobicContact CG1-CD2 4.18Å; I435-L457 HydrophobicContact CG1-CG 4.34Å; L438-L457 HydrophobicContact CD2-CB 4.17Å; L438-L457 HydrophobicContact CD2-CD1 3.87Å; L438-L457 HydrophobicContact CD2-CD2 4.14Å; L438-L457 HydrophobicContact CD2-CG 4.29Å; L454-L457 HydrophobicContact CB-CB 4.24Å; L454-L457 HydrophobicContact CB-CD1 4.13Å; L454-L457 HydrophobicContact CB-CG 4.05Å; L454-L457 HydrophobicContact CD1-CD1 3.82Å; L454-L457 HydrophobicContact CD1-CG 4.26Å; L454-L457 HydrophobicContact CG-CD1 4.29Å; L454-L457 WeakPolarHBondContact O-CB 3.32Å; L454-L457 PolarHBondContact O-N 2.69Å; P455-L457 VanDerWaalsContact C-N 3.31Å; P455-L457 PolarHBondContact O-N 3.12Å; L457-V460 PolarHBondContact O-N 2.9Å; L457-I461 WeakPolarHBondContact O-CB 3.37Å; L457-I461 WeakPolarHBondContact O-CD1 3.44Å; L457-I461 WeakPolarHBondContact O-CG1 3.33Å; L457-I461 PolarHBondContact O-N 3.49Å
458	K	91.1	Very high	92.2	Very high	39 Å²	39	21.8 Å²	21.8	17%	0.17	13%	0.125	C	C	.	.	H	α-helix	trans	-58.7	-49.3	173.2	-64.1	176.6	58.2	-78.9	0	110.7	L453 L454 P455 V460 I461 E462	L453-K458 HydrophobicContact CB-CG 3.87Å; L454-K458 PolarHBondContact O-N 3.04Å; L454-K458 VanDerWaalsContact O-N 3.08Å; P455-K458 WeakPolarHBondContact O-CB 3.49Å; P455-K458 PolarHBondContact O-N 3.19Å; P455-K458 VanDerWaalsContact O-N 3.12Å; K458-V460 PolarHBondContact O-N 2.96Å; K458-I461 CarbonylContact O-C 3.57Å; K458-I461 WeakPolarHBondContact O-CB 3.49Å; K458-I461 PolarHBondContact O-N 3.04Å; K458-I461 VanDerWaalsContact O-N 3.11Å; K458-E462 IonicContact NZ-OE1 2.97Å; K458-E462 PolarHBondContact NZ-OE1 3.39Å; K458-E462 WeakPolarHBondContact O-CB 3.34Å; K458-E462 WeakPolarHBondContact O-CG 3.48Å; K458-E462 PolarHBondContact O-N 3.39Å
459	E	90	Very high	92.2	Very high	20 Å²	20	21.6 Å²	21.6	9%	0.093	12%	0.124	C	C	.	.	H	α-helix	trans	-63.2	-40.1	-178.5	-66	172.3	167.3	0	0	111.8	P455 I456 I461 E462 I463 S1052 L1053 Y1054	P455-E459 WeakPolarHBondContact O-CG 3.41Å; P455-E459 PolarHBondContact O-N 2.88Å; I456-E459 PolarHBondContact O-N 3.22Å; E459-I461 VanDerWaalsContact C-N 3.34Å; E459-I461 PolarHBondContact O-N 2.99Å; E459-E462 PolarHBondContact O-N 3.13Å; E459-I463 WeakPolarHBondContact O-CD1 3.36Å; E459-I463 VanDerWaalsContact O-CG1 3.28Å; E459-I463 WeakPolarHBondContact O-CG1 3.4Å; E459-I463 PolarHBondContact O-N 3.41Å; E459-S1052 VanDerWaalsContact CD-OG 3.25Å; E459-S1052 VanDerWaalsContact OE1-CB 3.31Å; E459-S1052 WeakPolarHBondContact OE1-CB 3.48Å; E459-S1052 PolarHBondContact OE1-OG 3.3Å; E459-S1052 VanDerWaalsContact OE2-CA 3.29Å; E459-S1052 WeakPolarHBondContact OE2-CA 3.33Å; E459-S1052 PolarHBondContact OE2-OG 3.47Å; E459-L1053 HydrophobicContact CB-CB 4.19Å; E459-L1053 HydrophobicContact CB-CD1 3.95Å; E459-L1053 HydrophobicContact CB-CG 4.27Å; E459-L1053 PolarHBondContact OE2-N 2.94Å; E459-Y1054 HydrophobicContact CB-CE2 4.39Å; E459-Y1054 HydrophobicContact CG-CD2 4.2Å; E459-Y1054 HydrophobicContact CG-CE2 3.97Å
460	V	93	Very high	92.3	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-60	-43.6	171.2	174.7	0	0	0	0	111.6	F418 A421 I456 L457 K458 E462 I463 L464 L1053	F418-V460 HydrophobicContact CD2-CG1 3.88Å; A421-V460 HydrophobicContact CB-CG2 3.33Å; I456-V460 WeakPolarHBondContact O-CG2 3.4Å; I456-V460 PolarHBondContact O-N 3.44Å; L457-V460 PolarHBondContact O-N 2.9Å; K458-V460 PolarHBondContact O-N 2.96Å; V460-E462 VanDerWaalsContact C-N 3.33Å; V460-I463 PolarHBondContact O-N 3.31Å; V460-L464 HydrophobicContact CG1-CD1 3.74Å; V460-L464 HydrophobicContact CG1-CG 4.1Å; V460-L464 WeakPolarHBondContact O-CB 3.45Å; V460-L464 VanDerWaalsContact O-CG 3.25Å; V460-L464 WeakPolarHBondContact O-CG 3.44Å; V460-L464 PolarHBondContact O-N 2.94Å; V460-L1053 HydrophobicContact CB-CD1 4.45Å; V460-L1053 HydrophobicContact CG2-CD1 3.41Å; V460-L1053 VanDerWaalsContact CG2-CD1 3.41Å
461	I	94.5	Very high	92.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-39.9	177.5	-71.9	154.7	0	0	0	111.1	L438 L442 I448 L453 L457 K458 E459 F465 I470 L473	L438-I461 HydrophobicContact CD2-CD1 3.75Å; L438-I461 HydrophobicContact CD2-CG1 4.46Å; L442-I461 HydrophobicContact CD2-CG1 3.91Å; I448-I461 WeakPolarHBondContact O-CD1 3.43Å; L453-I461 HydrophobicContact CD1-CD1 3.85Å; L457-I461 WeakPolarHBondContact O-CB 3.37Å; L457-I461 WeakPolarHBondContact O-CD1 3.44Å; L457-I461 WeakPolarHBondContact O-CG1 3.33Å; L457-I461 PolarHBondContact O-N 3.49Å; K458-I461 CarbonylContact O-C 3.57Å; K458-I461 WeakPolarHBondContact O-CB 3.49Å; K458-I461 PolarHBondContact O-N 3.04Å; K458-I461 VanDerWaalsContact O-N 3.11Å; E459-I461 VanDerWaalsContact C-N 3.34Å; E459-I461 PolarHBondContact O-N 2.99Å; I461-F465 VanDerWaalsContact O-CB 3.25Å; I461-F465 WeakPolarHBondContact O-CB 3.18Å; I461-F465 PolarHBondContact O-N 3.07Å; I461-I470 HydrophobicContact CB-CD1 4.41Å; I461-I470 HydrophobicContact CG2-CD1 3.94Å; I461-I470 WeakPolarHBondContact O-CD1 3.28Å; I461-L473 HydrophobicContact CG2-CD1 3.65Å
462	E	91.1	Very high	92.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-44.7	176.8	-66	162.8	-160	0	0	110.4	H449 K458 E459 V460 F465 S466 L483 M485 Y1054	H449-E462 IonicContact CD2-OE1 2.83Å; H449-E462 IonicContact CE1-OE1 3.24Å; H449-E462 IonicContact NE2-OE1 3.78Å; H449-E462 PolarHBondContact NE2-OE1 3.17Å; K458-E462 IonicContact NZ-OE1 2.97Å; K458-E462 PolarHBondContact NZ-OE1 3.39Å; K458-E462 WeakPolarHBondContact O-CB 3.34Å; K458-E462 WeakPolarHBondContact O-CG 3.48Å; K458-E462 PolarHBondContact O-N 3.39Å; E459-E462 PolarHBondContact O-N 3.13Å; V460-E462 VanDerWaalsContact C-N 3.33Å; E462-F465 PolarHBondContact O-N 2.91Å; E462-S466 PolarHBondContact O-N 3.19Å; E462-L483 HydrophobicContact CG-CD1 4.37Å; E462-M485 HydrophobicContact CB-CE 3.9Å; E462-M485 HydrophobicContact CB-SD 3.77Å; E462-M485 HydrophobicContact CG-CE 3.73Å; E462-M485 HydrophobicContact CG-SD 4.08Å; E462-Y1054 WeakPolarHBondContact CB-OH 3.48Å; E462-Y1054 PolarHBondContact OE2-OH 3.5Å
463	I	90.6	Very high	93	Very high	42 Å²	42	21.7 Å²	21.7	22%	0.215	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-49.1	174.6	-66	162.4	0	0	0	112	V417 E459 V460 F465 S466 E467 L1053	V417-I463 HydrophobicContact CG1-CG2 4.26Å; E459-I463 WeakPolarHBondContact O-CD1 3.36Å; E459-I463 VanDerWaalsContact O-CG1 3.28Å; E459-I463 WeakPolarHBondContact O-CG1 3.4Å; E459-I463 PolarHBondContact O-N 3.41Å; V460-I463 PolarHBondContact O-N 3.31Å; I463-F465 PolarHBondContact O-N 3.03Å; I463-S466 PolarHBondContact O-N 3.26Å; I463-S466 VanDerWaalsContact O-N 3.13Å; I463-S466 PolarHBondContact O-OG 3.44Å; I463-E467 WeakPolarHBondContact O-CG 3.48Å; I463-E467 PolarHBondContact O-N 3.37Å; I463-L1053 HydrophobicContact CD1-CB 4.03Å; I463-L1053 HydrophobicContact CD1-CD1 4.25Å
464	L	94.8	Very high	93.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-25.6	178.4	-70.2	177	0	0	0	112.3	I414 V417 L442 V460 L469 I470	I414-L464 HydrophobicContact CG1-CD2 4.14Å; I414-L464 HydrophobicContact CG2-CD1 4.26Å; V417-L464 HydrophobicContact CB-CD2 3.99Å; V417-L464 HydrophobicContact CG1-CD2 3.8Å; V417-L464 HydrophobicContact CG1-CG 4.44Å; L442-L464 HydrophobicContact CB-CD1 4.49Å; L442-L464 HydrophobicContact CD1-CD1 4.03Å; L442-L464 HydrophobicContact CD2-CD1 4.28Å; V460-L464 HydrophobicContact CG1-CD1 3.74Å; V460-L464 HydrophobicContact CG1-CG 4.1Å; V460-L464 WeakPolarHBondContact O-CB 3.45Å; V460-L464 VanDerWaalsContact O-CG 3.25Å; V460-L464 WeakPolarHBondContact O-CG 3.44Å; V460-L464 PolarHBondContact O-N 2.94Å; L464-L469 HydrophobicContact CD2-CB 4.38Å; L464-L469 HydrophobicContact CD2-CD1 3.7Å; L464-L469 WeakPolarHBondContact O-CA 3.23Å; L464-L469 WeakPolarHBondContact O-CB 3.23Å; L464-L469 PolarHBondContact O-N 2.61Å; L464-I470 HydrophobicContact CB-CD1 3.73Å; L464-I470 HydrophobicContact CB-CG1 3.97Å; L464-I470 PolarHBondContact O-N 3.05Å
465	F	94.1	Very high	93.2	Very high	9 Å²	9	20.7 Å²	20.7	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-76.7	-40.1	172.7	-171.7	-96	0	0	0	112.3	P381 I383 I461 E462 I463 G468 I470 L473 F479 M485 A487	P381-F465 HydrophobicContact CB-CE2 4.02Å; P381-F465 HydrophobicContact CB-CZ 4.26Å; P381-F465 HydrophobicContact CG-CZ 4.48Å; I383-F465 HydrophobicContact CD1-CZ 4.16Å; I383-F465 HydrophobicContact CG1-CE2 4.34Å; I383-F465 HydrophobicContact CG1-CZ 3.88Å; I461-F465 VanDerWaalsContact O-CB 3.25Å; I461-F465 WeakPolarHBondContact O-CB 3.18Å; I461-F465 PolarHBondContact O-N 3.07Å; E462-F465 PolarHBondContact O-N 2.91Å; I463-F465 PolarHBondContact O-N 3.03Å; F465-G468 WeakPolarHBondContact O-CA 3.43Å; F465-G468 PolarHBondContact O-N 3.23Å; F465-I470 HydrophobicContact CB-CB 4.47Å; F465-I470 HydrophobicContact CB-CD1 4.49Å; F465-I470 HydrophobicContact CD2-CB 4.09Å; F465-I470 HydrophobicContact CD2-CG2 4.02Å; F465-L473 HydrophobicContact CD1-CD2 4.47Å; F465-L473 HydrophobicContact CD2-CB 3.87Å; F465-L473 HydrophobicContact CD2-CD2 3.77Å; F465-L473 HydrophobicContact CD2-CG 4.37Å; F465-L473 HydrophobicContact CE2-CB 3.79Å; F465-L473 HydrophobicContact CE2-CD2 4Å; F465-L473 HydrophobicContact CG-CD2 4.02Å; F465-L473 HydrophobicContact CZ-CD2 4.46Å; F465-F479 HydrophobicContact CD1-CZ 4.27Å; F465-F479 HydrophobicContact CE1-CZ 4.41Å; F465-M485 HydrophobicContact CD1-CB 3.83Å; F465-M485 HydrophobicContact CD1-CG 4.03Å; F465-M485 HydrophobicContact CD1-SD 4.1Å; F465-M485 HydrophobicContact CE1-CB 3.93Å; F465-A487 HydrophobicContact CZ-CB 4.09Å
466	S	88.4	Confident	93.2	Very high	78 Å²	78	19.7 Å²	19.7	55%	0.545	11%	0.108	S	C	.	.	H	α-helix	trans	-65.8	-37.7	175.2	59.5	0	0	0	0	112.8	E462 I463 G468	E462-S466 PolarHBondContact O-N 3.19Å; I463-S466 PolarHBondContact O-N 3.26Å; I463-S466 VanDerWaalsContact O-N 3.13Å; I463-S466 PolarHBondContact O-OG 3.44Å; S466-G468 PolarHBondContact O-N 2.9Å; S466-G468 VanDerWaalsContact O-N 3.17Å
467	E	90.3	Very high	92.9	Very high	126 Å²	126	21.1 Å²	21.1	59%	0.589	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-2.1	171.5	-63	-50.9	124.5	0	0	113.3	I463 L469	I463-E467 WeakPolarHBondContact O-CG 3.48Å; I463-E467 PolarHBondContact O-N 3.37Å; E467-L469 HydrophobicContact CB-CD1 3.98Å; E467-L469 HydrophobicContact CB-CG 4.11Å; E467-L469 PolarHBondContact O-N 2.7Å
468	G	92.2	Very high	92.4	Very high	25 Å²	25	24.1 Å²	24.1	26%	0.258	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	16.3	178.8	0	0	0	0	0	114.5	F465 S466 K471	F465-G468 WeakPolarHBondContact O-CA 3.43Å; F465-G468 PolarHBondContact O-N 3.23Å; S466-G468 PolarHBondContact O-N 2.9Å; S466-G468 VanDerWaalsContact O-N 3.17Å; G468-K471 WeakPolarHBondContact O-CD 3.46Å; G468-K471 WeakPolarHBondContact O-CE 3.42Å; G468-K471 PolarHBondContact O-NZ 3.46Å
469	L	95.6	Very high	92.2	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.042	13%	0.126	C	C	.	.			trans	-79.4	-23.5	179.4	-66.5	168.6	0	0	0	112.6	N406 E410 L413 I414 L464 E467	N406-L469 PolarHBondContact ND2-O 2.89Å; N406-L469 PolarHBondContact OD1-O 3.32Å; E410-L469 HydrophobicContact CB-CD2 3.89Å; E410-L469 HydrophobicContact CG-CD2 3.95Å; L413-L469 HydrophobicContact CD2-CD1 4.02Å; L413-L469 HydrophobicContact CD2-CD2 4.2Å; L413-L469 HydrophobicContact CG-CD1 4.01Å; I414-L469 HydrophobicContact CD1-CB 4.05Å; I414-L469 HydrophobicContact CG1-CB 3.83Å; I414-L469 HydrophobicContact CG1-CD1 3.99Å; I414-L469 HydrophobicContact CG1-CD2 4.31Å; I414-L469 HydrophobicContact CG1-CG 4.26Å; L464-L469 HydrophobicContact CD2-CB 4.38Å; L464-L469 HydrophobicContact CD2-CD1 3.7Å; L464-L469 WeakPolarHBondContact O-CA 3.23Å; L464-L469 WeakPolarHBondContact O-CB 3.23Å; L464-L469 PolarHBondContact O-N 2.61Å; E467-L469 HydrophobicContact CB-CD1 3.98Å; E467-L469 HydrophobicContact CB-CG 4.11Å; E467-L469 PolarHBondContact O-N 2.7Å
470	I	96.8	Very high	91.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.123	C	C	.	.			trans	-93.4	119.7	168.3	-65	171.1	0	0	0	109.1	L442 I461 L464 F465 L473	L442-I470 HydrophobicContact CD2-CD1 3.91Å; L442-I470 HydrophobicContact CD2-CG1 4.43Å; I461-I470 HydrophobicContact CB-CD1 4.41Å; I461-I470 HydrophobicContact CG2-CD1 3.94Å; I461-I470 WeakPolarHBondContact O-CD1 3.28Å; L464-I470 HydrophobicContact CB-CD1 3.73Å; L464-I470 HydrophobicContact CB-CG1 3.97Å; L464-I470 PolarHBondContact O-N 3.05Å; F465-I470 HydrophobicContact CB-CB 4.47Å; F465-I470 HydrophobicContact CB-CD1 4.49Å; F465-I470 HydrophobicContact CD2-CB 4.09Å; F465-I470 HydrophobicContact CD2-CG2 4.02Å; I470-L473 HydrophobicContact CG2-CB 4.08Å; I470-L473 HydrophobicContact CG2-CD1 4.47Å
471	K	95.5	Very high	90.9	Very high	39 Å²	39	24 Å²	24	17%	0.17	14%	0.135	C	C	.	.	S	Bend	trans	-96.5	-25.5	179.5	-44.1	-52.8	179.8	177.5	0	112.7	T380 P381 V382 F405 N406 E410 G445 G468	T380-K471 HydrophobicContact CG2-CB 4.08Å; P381-K471 CarbonylContact C-O 3.51Å; P381-K471 VanDerWaalsContact CA-O 3.27Å; P381-K471 WeakPolarHBondContact CA-O 3.48Å; V382-K471 PolarHBondContact N-O 3.39Å; F405-K471 HydrophobicContact CB-CB 3.84Å; F405-K471 HydrophobicContact CB-CG 3.57Å; F405-K471 HydrophobicContact CD1-CB 3.96Å; F405-K471 HydrophobicContact CG-CB 3.93Å; F405-K471 HydrophobicContact CG-CG 4.24Å; N406-K471 WeakPolarHBondContact OD1-CE 3.5Å; E410-K471 WeakPolarHBondContact OE1-CE 3.36Å; E410-K471 IonicContact OE1-NZ 3.21Å; E410-K471 PolarHBondContact OE1-NZ 2.7Å; G445-K471 PolarHBondContact O-N 2.96Å; G468-K471 WeakPolarHBondContact O-CD 3.46Å; G468-K471 WeakPolarHBondContact O-CE 3.42Å; G468-K471 PolarHBondContact O-NZ 3.46Å
472	A	96.1	Very high	89.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	107.9	175	0	0	0	0	0	110.4	V382 F405 G445 V446 G447 F474	V382-A472 HydrophobicContact CG1-CB 3.94Å; F405-A472 HydrophobicContact CE2-CB 3.93Å; F405-A472 HydrophobicContact CZ-CB 3.87Å; G445-A472 PolarHBondContact O-N 2.71Å; G445-A472 VanDerWaalsContact O-N 3.12Å; V446-A472 CarbonylContact C-O 3.53Å; V446-A472 WeakPolarHBondContact CA-O 3.49Å; G447-A472 PolarHBondContact N-O 3.19Å; A472-F474 HydrophobicContact CB-CE2 4.45Å
473	L	96.5	Very high	88.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.6	179.3	-179.1	62.5	0	0	0	110.2	V382 I383 V384 H449 I461 F465 I470 A475 F479	V382-L473 PolarHBondContact O-N 2.61Å; I383-L473 CarbonylContact C-O 3.49Å; I383-L473 WeakPolarHBondContact CA-O 3.37Å; I383-L473 HydrophobicContact CG1-CD2 4.47Å; V384-L473 PolarHBondContact N-O 3.46Å; H449-L473 HydrophobicContact CB-CD1 4.1Å; I461-L473 HydrophobicContact CG2-CD1 3.65Å; F465-L473 HydrophobicContact CD1-CD2 4.47Å; F465-L473 HydrophobicContact CD2-CB 3.87Å; F465-L473 HydrophobicContact CD2-CD2 3.77Å; F465-L473 HydrophobicContact CD2-CG 4.37Å; F465-L473 HydrophobicContact CE2-CB 3.79Å; F465-L473 HydrophobicContact CE2-CD2 4Å; F465-L473 HydrophobicContact CG-CD2 4.02Å; F465-L473 HydrophobicContact CZ-CD2 4.46Å; I470-L473 HydrophobicContact CG2-CB 4.08Å; I470-L473 HydrophobicContact CG2-CD1 4.47Å; L473-A475 HydrophobicContact CG-CB 4.48Å; L473-F479 HydrophobicContact CD2-CD1 4.26Å; L473-F479 HydrophobicContact CD2-CD2 4.2Å; L473-F479 HydrophobicContact CD2-CE1 3.69Å; L473-F479 HydrophobicContact CD2-CE2 3.6Å; L473-F479 HydrophobicContact CD2-CG 4.49Å; L473-F479 HydrophobicContact CD2-CZ 3.31Å
474	F	96.2	Very high	87.5	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.2	169.7	-71.9	-91.9	0	0	0	108.7	L367 V384 C392 N395 A396 I399 V446 G447 I448 H449 A472	L367-F474 HydrophobicContact CD2-CE1 4.2Å; V384-F474 HydrophobicContact CB-CD1 3.75Å; V384-F474 HydrophobicContact CB-CE1 3.72Å; V384-F474 HydrophobicContact CB-CG 4.34Å; V384-F474 HydrophobicContact CB-CZ 4.28Å; V384-F474 HydrophobicContact CG1-CD1 3.86Å; V384-F474 HydrophobicContact CG1-CE1 3.62Å; V384-F474 HydrophobicContact CG1-CZ 4.46Å; V384-F474 HydrophobicContact CG2-CD1 4.33Å; V384-F474 HydrophobicContact CG2-CE1 3.91Å; V384-F474 HydrophobicContact CG2-CE2 4.48Å; V384-F474 HydrophobicContact CG2-CZ 3.97Å; C392-F474 PolarHBondContact SG-O 3Å; C392-F474 VanDerWaalsContact SG-O 3.33Å; N395-F474 HydrophobicContact CB-CD1 3.81Å; N395-F474 HydrophobicContact CB-CE1 3.66Å; A396-F474 HydrophobicContact CB-CB 4.01Å; A396-F474 HydrophobicContact CB-CD1 4.5Å; A396-F474 HydrophobicContact CB-CD2 3.59Å; A396-F474 HydrophobicContact CB-CE2 4.28Å; A396-F474 HydrophobicContact CB-CG 3.74Å; I399-F474 HydrophobicContact CB-CE2 4.2Å; I399-F474 HydrophobicContact CB-CZ 4.3Å; I399-F474 HydrophobicContact CG1-CE2 3.89Å; I399-F474 HydrophobicContact CG1-CZ 3.49Å; I399-F474 VanDerWaalsContact CG1-CZ 3.49Å; V446-F474 HydrophobicContact CG1-CD2 4.02Å; V446-F474 HydrophobicContact CG1-CE2 4.15Å; G447-F474 PolarHBondContact O-N 3.1Å; I448-F474 CarbonylContact C-O 3.54Å; I448-F474 WeakPolarHBondContact CA-O 3.44Å; H449-F474 PolarHBondContact N-O 2.66Å; A472-F474 HydrophobicContact CB-CE2 4.45Å
475	A	94.5	Very high	87.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.3	-171.7	0	0	0	0	0	113.3	I383 V384 F385 N386 H449 L473 F479	I383-A475 HydrophobicContact CG2-CB 4.08Å; V384-A475 PolarHBondContact O-N 3.3Å; F385-A475 WeakPolarHBondContact CA-O 3.33Å; F385-A475 HydrophobicContact CD1-CB 4.32Å; F385-A475 HydrophobicContact CE1-CB 4.27Å; N386-A475 PolarHBondContact N-O 2.83Å; H449-A475 HydrophobicContact CB-CB 4.24Å; H449-A475 CarbonylContact O-C 3.6Å; H449-A475 VanDerWaalsContact O-CA 3.29Å; H449-A475 WeakPolarHBondContact O-CA 3.43Å; L473-A475 HydrophobicContact CG-CB 4.48Å; A475-F479 HydrophobicContact CB-CB 3.69Å; A475-F479 HydrophobicContact CB-CD1 4.29Å; A475-F479 HydrophobicContact CB-CG 4Å
476	T	90.9	Very high	86.9	Confident	13 Å²	13	29 Å²	29	8%	0.08	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	161.6	161.8	51.5	0	0	0	0	111.7	N386 H449 H450 T478 F479	N386-T476 WeakPolarHBondContact O-CA 3.44Å; H449-T476 PolarHBondContact O-N 3.24Å; H450-T476 WeakPolarHBondContact CA-OG1 3.24Å; H450-T476 HydrophobicContact CB-CG2 3.68Å; H450-T476 WeakPolarHBondContact CB-OG1 3.47Å; T476-T478 PolarHBondContact O-N 2.94Å; T476-T478 PolarHBondContact OG1-OG1 2.58Å; T476-F479 WeakPolarHBondContact O-CB 3.25Å; T476-F479 PolarHBondContact O-N 2.82Å
477	E	85.1	Confident	87.2	Confident	38 Å²	38	25.3 Å²	25.3	18%	0.178	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-43.7	-36	176.1	-178.3	-179.8	163.4	0	0	113.9	F479 S480 K497 M532	E477-F479 PolarHBondContact O-N 3.26Å; E477-S480 WeakPolarHBondContact O-CB 3.17Å; E477-S480 PolarHBondContact O-N 3.34Å; E477-S480 PolarHBondContact O-OG 3.32Å; E477-K497 IonicContact OE1-NZ 3.35Å; E477-K497 PolarHBondContact OE1-NZ 3.45Å; E477-K497 VanDerWaalsContact OE2-CE 3.28Å; E477-K497 WeakPolarHBondContact OE2-CE 3.31Å; E477-K497 IonicContact OE2-NZ 3.16Å; E477-K497 PolarHBondContact OE2-NZ 3.47Å; E477-M532 HydrophobicContact CB-SD 4.3Å; E477-M532 HydrophobicContact CG-CE 4.4Å; E477-M532 HydrophobicContact CG-SD 4.12Å
478	T	82.5	Confident	87.4	Confident	65 Å²	65	21.8 Å²	21.8	40%	0.399	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-57.3	-16.7	176.2	58.3	0	0	0	0	114.9	T476 M481	T476-T478 PolarHBondContact O-N 2.94Å; T476-T478 PolarHBondContact OG1-OG1 2.58Å; T478-M481 WeakPolarHBondContact O-CB 3.34Å; T478-M481 PolarHBondContact O-N 3.44Å
479	F	87.2	Confident	87.6	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.009	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-77.8	-27	172.2	-174.6	-95.5	0	0	0	112.6	I383 F385 H449 F465 L473 A475 T476 E477 M481 M485	I383-F479 HydrophobicContact CD1-CD1 4.19Å; I383-F479 HydrophobicContact CD1-CE1 3.67Å; I383-F479 HydrophobicContact CG1-CE1 4.14Å; I383-F479 HydrophobicContact CG2-CD1 4.4Å; F385-F479 HydrophobicContact CE1-CB 4.36Å; H449-F479 HydrophobicContact CB-CD2 4.22Å; H449-F479 AromaticContact CD2-CD2 3.65Å; H449-F479 AromaticContact CE1-CD2 3.72Å; H449-F479 AromaticContact CG-CD2 3.6Å; H449-F479 AromaticContact ND1-CD2 3.7Å; H449-F479 AromaticContact NE2-CD2 3.7Å; F465-F479 HydrophobicContact CD1-CZ 4.27Å; F465-F479 HydrophobicContact CE1-CZ 4.41Å; L473-F479 HydrophobicContact CD2-CD1 4.26Å; L473-F479 HydrophobicContact CD2-CD2 4.2Å; L473-F479 HydrophobicContact CD2-CE1 3.69Å; L473-F479 HydrophobicContact CD2-CE2 3.6Å; L473-F479 HydrophobicContact CD2-CG 4.49Å; L473-F479 HydrophobicContact CD2-CZ 3.31Å; A475-F479 HydrophobicContact CB-CB 3.69Å; A475-F479 HydrophobicContact CB-CD1 4.29Å; A475-F479 HydrophobicContact CB-CG 4Å; T476-F479 WeakPolarHBondContact O-CB 3.25Å; T476-F479 PolarHBondContact O-N 2.82Å; E477-F479 PolarHBondContact O-N 3.26Å; F479-M481 PolarHBondContact O-N 2.89Å; F479-M485 HydrophobicContact CD2-CE 4.37Å; F479-M485 HydrophobicContact CE1-CB 4.12Å; F479-M485 HydrophobicContact CE2-CE 3.48Å; F479-M485 VanDerWaalsContact CE2-CE 3.48Å; F479-M485 HydrophobicContact CE2-SD 3.68Å; F479-M485 HydrophobicContact CZ-CB 3.62Å; F479-M485 HydrophobicContact CZ-CE 3.77Å; F479-M485 HydrophobicContact CZ-CG 4.26Å; F479-M485 HydrophobicContact CZ-SD 3.59Å; F479-M485 VanDerWaalsContact CZ-SD 3.59Å
480	S	82.3	Confident	87.6	Confident	6 Å²	6	20.2 Å²	20.2	4%	0.042	11%	0.108	C	C	.	.	S	Bend	trans	-72.1	-9.5	171.5	76.2	0	0	0	0	112.8	E477 M532 R535	E477-S480 WeakPolarHBondContact O-CB 3.17Å; E477-S480 PolarHBondContact O-N 3.34Å; E477-S480 PolarHBondContact O-OG 3.32Å; S480-M532 WeakPolarHBondContact OG-CG 3.33Å; S480-R535 PolarHBondContact O-NE 3.4Å; S480-R535 PolarHBondContact O-NH2 3.27Å
481	M	74.7	Confident	87.5	Confident	51 Å²	51	20.2 Å²	20.2	25%	0.251	11%	0.108	S	C	.	.	S	Bend	trans	-98.4	111.3	-175.7	-66.9	-178.9	83.2	0	0	110.7	Y246 T478 F479 L483	Y246-M481 HydrophobicContact CE1-CE 3.62Å; Y246-M481 VanDerWaalsContact OH-CA 3.31Å; Y246-M481 WeakPolarHBondContact OH-CA 3.28Å; Y246-M481 WeakPolarHBondContact OH-CB 3.48Å; T478-M481 WeakPolarHBondContact O-CB 3.34Å; T478-M481 PolarHBondContact O-N 3.44Å; F479-M481 PolarHBondContact O-N 2.89Å; M481-L483 PolarHBondContact O-N 2.63Å
482	G	62.7	Low	87.4	Confident	5 Å²	5	18.3 Å²	18.3	5%	0.052	10%	0.1	C	C	.	.	S	Bend	trans	73.7	17.3	159.9	0	0	0	0	0	119	L184	L184-G482 WeakPolarHBondContact CB-O 3.31Å; L184-G482 WeakPolarHBondContact CD1-O 3.41Å; L184-G482 WeakPolarHBondContact CD2-O 3.24Å
483	L	68	Low	86.9	Confident	15 Å²	15	19 Å²	19	8%	0.079	10%	0.104	C	C	.	.			trans	-131.7	144.6	170.6	-66.3	170.2	0	0	0	111.4	E462 M481 M485 R535	E462-L483 HydrophobicContact CG-CD1 4.37Å; M481-L483 PolarHBondContact O-N 2.63Å; L483-M485 HydrophobicContact CB-CE 3.39Å; L483-M485 HydrophobicContact CD1-CE 3.45Å; L483-M485 VanDerWaalsContact CD1-CE 3.45Å; L483-M485 HydrophobicContact CG-CE 4Å; L483-M485 PolarHBondContact O-N 3.01Å; L483-M485 VanDerWaalsContact O-N 3.1Å; L483-R535 VanDerWaalsContact O-CZ 3.31Å; L483-R535 PolarHBondContact O-NH1 3.31Å; L483-R535 PolarHBondContact O-NH2 3.3Å
484	N	74.2	Confident	86.1	Confident	85 Å²	85	20.2 Å²	20.2	46%	0.455	11%	0.112	S	C	.	.			trans	-87.6	64.3	-177.2	-169.7	25.7	0	0	0	113.3	P486	N484-P486 WeakPolarHBondContact O-CD 3.15Å
485	M	84.8	Confident	85	Confident	9 Å²	9	20.4 Å²	20.4	4%	0.044	11%	0.114	C	C	.	.			trans	-117.3	86.6	177.6	-77.3	174.4	-80.5	0	0	112.1	E462 F465 F479 L483	E462-M485 HydrophobicContact CB-CE 3.9Å; E462-M485 HydrophobicContact CB-SD 3.77Å; E462-M485 HydrophobicContact CG-CE 3.73Å; E462-M485 HydrophobicContact CG-SD 4.08Å; F465-M485 HydrophobicContact CD1-CB 3.83Å; F465-M485 HydrophobicContact CD1-CG 4.03Å; F465-M485 HydrophobicContact CD1-SD 4.1Å; F465-M485 HydrophobicContact CE1-CB 3.93Å; F479-M485 HydrophobicContact CD2-CE 4.37Å; F479-M485 HydrophobicContact CE1-CB 4.12Å; F479-M485 HydrophobicContact CE2-CE 3.48Å; F479-M485 VanDerWaalsContact CE2-CE 3.48Å; F479-M485 HydrophobicContact CE2-SD 3.68Å; F479-M485 HydrophobicContact CZ-CB 3.62Å; F479-M485 HydrophobicContact CZ-CE 3.77Å; F479-M485 HydrophobicContact CZ-CG 4.26Å; F479-M485 HydrophobicContact CZ-SD 3.59Å; F479-M485 VanDerWaalsContact CZ-SD 3.59Å; L483-M485 HydrophobicContact CB-CE 3.39Å; L483-M485 HydrophobicContact CD1-CE 3.45Å; L483-M485 VanDerWaalsContact CD1-CE 3.45Å; L483-M485 HydrophobicContact CG-CE 4Å; L483-M485 PolarHBondContact O-N 3.01Å; L483-M485 VanDerWaalsContact O-N 3.1Å
486	P	90.4	Very high	84	Confident	44 Å²	44	25 Å²	25	29%	0.286	13%	0.131	S	C	.	.			trans	-80.8	146.9	175.6	31.1	-33.1	0	0	0	112.8	N484 R535 R538	N484-P486 WeakPolarHBondContact O-CD 3.15Å; P486-R535 CarbonylContact C-O 3.57Å; P486-R535 WeakPolarHBondContact CA-O 3.38Å; P486-R538 HydrophobicContact CB-CG 3.89Å; P486-R538 HydrophobicContact CG-CG 3.97Å
487	A	94.1	Very high	83.1	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-113.2	167.8	175.3	0	0	0	0	0	111.4	I383 F465 T489 R535 A536 G537	I383-A487 HydrophobicContact CB-CB 4.47Å; I383-A487 HydrophobicContact CD1-CB 3.53Å; I383-A487 HydrophobicContact CG1-CB 3.72Å; F465-A487 HydrophobicContact CZ-CB 4.09Å; A487-T489 WeakPolarHBondContact CB-O 3.46Å; A487-R535 PolarHBondContact N-O 3.17Å; A487-A536 CarbonylContact O-C 3.5Å; A487-A536 WeakPolarHBondContact O-CA 3.26Å; A487-G537 PolarHBondContact O-N 3.12Å
488	K	95.4	Very high	82.2	Confident	51 Å²	51	31.7 Å²	31.7	22%	0.222	16%	0.159	C	C	.	.	S	Bend	trans	-77.4	-38.8	169.8	-175.5	169.8	-174.5	179.9	0	111.4	K378 T380 P381 D542 L546	K378-K488 PolarHBondContact O-NZ 2.94Å; T380-K488 WeakPolarHBondContact O-CD 3.44Å; P381-K488 PolarHBondContact O-N 3.03Å; K488-D542 VanDerWaalsContact CD-OD1 3.31Å; K488-D542 WeakPolarHBondContact CD-OD1 3.27Å; K488-D542 WeakPolarHBondContact CG-OD1 3.37Å; K488-L546 PolarHBondContact O-N 3.09Å
489	T	96.7	Very high	81.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.8	-178.7	-54.8	0	0	0	0	111.7	I374 L379 P381 V382 I383 A487 L546 I548	I374-T489 HydrophobicContact CD1-CG2 4.13Å; L379-T489 WeakPolarHBondContact O-CB 3.44Å; L379-T489 PolarHBondContact O-OG1 3.08Å; P381-T489 PolarHBondContact O-N 3.48Å; P381-T489 VanDerWaalsContact O-N 3.13Å; V382-T489 VanDerWaalsContact CA-O 3.28Å; V382-T489 WeakPolarHBondContact CA-O 3.39Å; V382-T489 HydrophobicContact CG2-CG2 4.04Å; I383-T489 PolarHBondContact N-O 3.09Å; A487-T489 WeakPolarHBondContact CB-O 3.46Å; T489-L546 CarbonylContact C-O 3.52Å; T489-L546 VanDerWaalsContact CA-O 3.27Å; T489-L546 WeakPolarHBondContact CA-O 3.46Å; T489-L546 HydrophobicContact CG2-CB 4.17Å; T489-I548 HydrophobicContact CG2-CD1 4.19Å; T489-I548 HydrophobicContact CG2-CG1 4.38Å
490	V	95.8	Very high	79.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.9	167.8	170.9	0	0	0	0	109	I383 F385 F492 R535 A536 L546 V547 I548	I383-V490 CarbonylContact O-C 3.59Å; I383-V490 WeakPolarHBondContact O-CA 3.43Å; F385-V490 HydrophobicContact CD2-CG1 3.6Å; F385-V490 HydrophobicContact CE2-CG1 3.71Å; F385-V490 HydrophobicContact CE2-CG2 4.45Å; V490-F492 HydrophobicContact CG1-CD2 4.23Å; V490-F492 HydrophobicContact CG1-CE2 3.79Å; V490-F492 HydrophobicContact CG1-CZ 4.23Å; V490-R535 HydrophobicContact CG2-CB 4.08Å; V490-A536 HydrophobicContact CB-CB 4.29Å; V490-A536 HydrophobicContact CG2-CB 3.84Å; V490-L546 PolarHBondContact N-O 3.23Å; V490-V547 CarbonylContact O-C 3.6Å; V490-V547 WeakPolarHBondContact O-CA 3.29Å; V490-I548 PolarHBondContact O-N 3.44Å
491	L	95	Very high	77.9	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.1	178.7	172.9	61.3	0	0	0	109.7	L367 V370 V371 I374 V382 I383 V384 F385 I548	L367-L491 HydrophobicContact CD1-CD2 3.7Å; V370-L491 HydrophobicContact CG1-CD1 4.01Å; V370-L491 HydrophobicContact CG1-CD2 3.94Å; V371-L491 HydrophobicContact CG2-CD2 4.13Å; I374-L491 HydrophobicContact CD1-CD2 4.42Å; V382-L491 HydrophobicContact CG2-CB 4.12Å; I383-L491 PolarHBondContact O-N 3.18Å; V384-L491 CarbonylContact C-O 3.5Å; V384-L491 VanDerWaalsContact CA-O 3.32Å; V384-L491 WeakPolarHBondContact CA-O 3.49Å; V384-L491 HydrophobicContact CG1-CB 4.47Å; V384-L491 HydrophobicContact CG1-CD2 4.12Å; V384-L491 HydrophobicContact CG1-CG 4.21Å; V384-L491 HydrophobicContact CG2-CB 4.31Å; V384-L491 HydrophobicContact CG2-CD2 4.09Å; F385-L491 PolarHBondContact N-O 3.43Å; L491-I548 CarbonylContact C-O 3.6Å; L491-I548 WeakPolarHBondContact CA-O 3.2Å; L491-I548 HydrophobicContact CD1-CB 3.75Å; L491-I548 HydrophobicContact CD1-CG2 3.65Å
492	F	91.7	Very high	76.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.8	171.5	-64.8	-95.1	0	0	0	109.3	F385 V490 I524 F529 M532 V547 I548 L549 A550	F385-F492 HydrophobicContact CB-CD1 4.31Å; F385-F492 HydrophobicContact CD2-CE1 4.43Å; V490-F492 HydrophobicContact CG1-CD2 4.23Å; V490-F492 HydrophobicContact CG1-CE2 3.79Å; V490-F492 HydrophobicContact CG1-CZ 4.23Å; F492-I524 HydrophobicContact CD1-CD1 4.26Å; F492-F529 HydrophobicContact CD2-CD2 4.49Å; F492-F529 AromaticContact CD2-CE2 3.96Å; F492-F529 HydrophobicContact CD2-CE2 3.96Å; F492-F529 HydrophobicContact CE1-CD2 4.07Å; F492-F529 HydrophobicContact CE1-CE2 4.45Å; F492-F529 AromaticContact CE2-CD2 3.81Å; F492-F529 HydrophobicContact CE2-CD2 3.81Å; F492-F529 AromaticContact CE2-CE2 3.42Å; F492-F529 HydrophobicContact CE2-CE2 3.42Å; F492-F529 VanDerWaalsContact CE2-CE2 3.42Å; F492-F529 HydrophobicContact CE2-CZ 4.29Å; F492-F529 AromaticContact CZ-CD2 3.55Å; F492-F529 HydrophobicContact CZ-CD2 3.55Å; F492-F529 AromaticContact CZ-CE2 3.71Å; F492-F529 HydrophobicContact CZ-CE2 3.71Å; F492-F529 HydrophobicContact CZ-CG 4.49Å; F492-M532 HydrophobicContact CD1-SD 4.46Å; F492-M532 HydrophobicContact CE1-CB 3.59Å; F492-M532 HydrophobicContact CE1-CE 3.9Å; F492-M532 HydrophobicContact CE1-CG 4.29Å; F492-M532 HydrophobicContact CE1-SD 3.74Å; F492-M532 HydrophobicContact CZ-CB 3.56Å; F492-V547 HydrophobicContact CD2-CG1 4.21Å; F492-V547 HydrophobicContact CE2-CG1 3.72Å; F492-I548 PolarHBondContact N-O 3.04Å; F492-L549 HydrophobicContact CB-CD1 3.73Å; F492-L549 HydrophobicContact CD2-CD1 4.5Å; F492-L549 HydrophobicContact CG-CD1 4.21Å; F492-A550 WeakPolarHBondContact O-CB 3.42Å; F492-A550 PolarHBondContact O-N 2.73Å
493	T	86.8	Confident	74.8	Confident	14 Å²	14	41 Å²	41	9%	0.086	22%	0.222	C	C	.	.	S	Bend	trans	-77.6	-22.7	178.4	65.6	0	0	0	0	113.8	L367 V384 F385 N386 E391	L367-T493 HydrophobicContact CD1-CG2 4.13Å; L367-T493 HydrophobicContact CD2-CG2 4.19Å; V384-T493 HydrophobicContact CG1-CG2 3.58Å; F385-T493 PolarHBondContact O-N 2.96Å; F385-T493 PolarHBondContact O-OG1 3.41Å; N386-T493 WeakPolarHBondContact ND2-CG2 3.29Å; N386-T493 PolarHBondContact ND2-OG1 2.61Å; E391-T493 PolarHBondContact OE1-OG1 3.23Å
494	C	78.9	Confident	73.1	Confident	26 Å²	26	44.7 Å²	44.7	18%	0.176	24%	0.235	C	C	.	.			trans	-146.4	158.9	177.3	-166.2	0	0	0	0	110
495	A	73.9	Confident	70.9	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.033	24%	0.244	C	C	.	.	S	Bend	trans	-102.3	12.3	174	0	0	0	0	0	113.6	I524 L549 M555	A495-I524 PolarHBondContact O-N 3.41Å; A495-L549 HydrophobicContact CB-CD1 3.93Å; A495-L549 HydrophobicContact CB-CD2 4.48Å; A495-L549 HydrophobicContact CB-CG 4.5Å; A495-M555 HydrophobicContact CB-CE 3.5Å
496	R	74	Confident	68.2	Low	96 Å²	96	53.7 Å²	53.7	36%	0.362	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143	-174.3	-55.1	-179.6	-171.6	-154.6	-0	111.1	F387 L522 T553	F387-R496 WeakPolarHBondContact CD2-O 3.14Å; R496-L522 CarbonylContact C-O 3.39Å; R496-L522 WeakPolarHBondContact CA-O 3.15Å; R496-L522 WeakPolarHBondContact CB-O 3.07Å; R496-T553 PolarHBondContact NH2-OG1 2.84Å
497	K	71.5	Confident	65.2	Low	41 Å²	41	55.9 Å²	55.9	18%	0.178	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.4	-179.7	-176.5	172.3	166.7	176	0	110.2	F387 E477 D499 L522 E528	F387-K497 HydrophobicContact CD1-CB 4.43Å; F387-K497 HydrophobicContact CD1-CD 4.24Å; F387-K497 HydrophobicContact CD1-CG 4.18Å; F387-K497 HydrophobicContact CE1-CD 4.41Å; E477-K497 IonicContact OE1-NZ 3.35Å; E477-K497 PolarHBondContact OE1-NZ 3.45Å; E477-K497 VanDerWaalsContact OE2-CE 3.28Å; E477-K497 WeakPolarHBondContact OE2-CE 3.31Å; E477-K497 IonicContact OE2-NZ 3.16Å; E477-K497 PolarHBondContact OE2-NZ 3.47Å; K497-D499 WeakPolarHBondContact CE-OD1 3.46Å; K497-L522 PolarHBondContact N-O 3.39Å; K497-L522 WeakPolarHBondContact O-CB 3.43Å; K497-E528 IonicContact NZ-OE1 3.97Å; K497-E528 PolarHBondContact NZ-OE1 3.01Å
498	F	65.5	Low	62	Low	151 Å²	151	62.3 Å²	62.3	66%	0.662	32%	0.323	S	S	*	.			trans	-130.1	110.3	178.7	178.9	-100.2	0	0	0	110.5	G500	F498-G500 VanDerWaalsContact C-N 3.26Å; F498-G500 PolarHBondContact O-N 3.13Å
499	D	59.6	Low	58.6	Low	46 Å²	46	67.3 Å²	67.3	25%	0.246	35%	0.352	C	S	.	.			trans	-86.4	22	-171.2	-68.3	-3.2	0	0	0	113.9	K497 T501 R504 L522	K497-D499 WeakPolarHBondContact CE-OD1 3.46Å; D499-T501 PolarHBondContact O-N 3.23Å; D499-R504 IonicContact OD2-CZ 3.96Å; D499-R504 IonicContact OD2-NE 2.85Å; D499-R504 IonicContact OD2-NH1 2.67Å; D499-R504 PolarHBondContact OD2-NH1 3.03Å; D499-L522 HydrophobicContact CB-CD1 4.04Å; D499-L522 VanDerWaalsContact OD2-CD1 3.31Å; D499-L522 WeakPolarHBondContact OD2-CD1 3.12Å
500	G	54.1	Low	55.1	Low	38 Å²	38	73.9 Å²	73.9	39%	0.392	39%	0.386	S	S	.	.	S	Bend	trans	74.9	-31.2	166.6	0	0	0	0	0	118.2	F498	F498-G500 VanDerWaalsContact C-N 3.26Å; F498-G500 PolarHBondContact O-N 3.13Å
501	T	49.2	Very low	51.8	Low	132 Å²	132	80.7 Å²	80.7	81%	0.81	42%	0.423	S	S	*	.	S	Bend	trans	-119.3	-36.6	-176.7	54.4	0	0	0	0	113.7	D499	D499-T501 PolarHBondContact O-N 3.23Å
502	S	38.1	Very low	48.5	Very low	53 Å²	53	85.1 Å²	85.1	37%	0.371	45%	0.454	S	S	.	.			trans	-150	146.4	-175.9	56.8	0	0	0	0	112.7	R504	S502-R504 PolarHBondContact O-N 3.23Å
503	H	33.1	Very low	45.3	Very low	56 Å²	56	93 Å²	93	26%	0.259	50%	0.496	S	S	.	.			trans	-64.4	107.6	150.7	-64.9	-82.1	0	0	0	106.2	W505 M519 S520 A521	H503-W505 PolarHBondContact O-N 3.07Å; H503-M519 WeakPolarHBondContact NE2-CE 3.2Å; H503-S520 VanDerWaalsContact ND1-C 3.27Å; H503-S520 PolarHBondContact ND1-O 3.12Å; H503-A521 PolarHBondContact ND1-N 2.9Å
504	R	31.5	Very low	42.5	Very low	92 Å²	92	97.8 Å²	97.8	35%	0.347	52%	0.521	S	S	.	.			trans	-54.2	117.7	-179.1	-88.7	169.4	156	147.4	-20.3	109.3	D499 S502 V506 L522	D499-R504 IonicContact OD2-CZ 3.96Å; D499-R504 IonicContact OD2-NE 2.85Å; D499-R504 IonicContact OD2-NH1 2.67Å; D499-R504 PolarHBondContact OD2-NH1 3.03Å; S502-R504 PolarHBondContact O-N 3.23Å; R504-V506 VanDerWaalsContact C-N 3.32Å; R504-V506 PolarHBondContact O-N 3.19Å; R504-L522 HydrophobicContact CB-CD1 3.73Å; R504-L522 HydrophobicContact CB-CD2 3.98Å; R504-L522 HydrophobicContact CB-CG 4.05Å; R504-L522 HydrophobicContact CG-CD1 3.88Å; R504-L522 HydrophobicContact CG-CD2 4.43Å
505	W	29.3	Very low	40.1	Very low	170 Å²	170	107 Å²	107	64%	0.644	56%	0.558	S	S	*	*			trans	-74.4	90	166.3	-66	76.3	0	0	0	107.4	H503 S507 C517	H503-W505 PolarHBondContact O-N 3.07Å; W505-S507 PolarHBondContact O-N 2.96Å; W505-C517 VanDerWaalsContact CH2-CA 3.48Å; W505-C517 HydrophobicContact CH2-CB 3.82Å; W505-C517 WeakPolarHBondContact CH2-SG 3.41Å; W505-C517 HydrophobicContact CZ2-CB 4.21Å
506	V	27.5	Very low	37.9	Very low	113 Å²	113	111 Å²	111	69%	0.685	58%	0.582	S	S	*	*			trans	-70	88.3	165.8	-175.1	0	0	0	0	106.9	R504 I508	R504-V506 VanDerWaalsContact C-N 3.32Å; R504-V506 PolarHBondContact O-N 3.19Å; V506-I508 HydrophobicContact CG1-CG1 4.07Å; V506-I508 PolarHBondContact O-N 3.43Å
507	S	27.5	Very low	35.8	Very low	89 Å²	89	111.1 Å²	111.1	62%	0.622	60%	0.596	S	S	*	*			trans	-63.6	94.6	156.8	-177.4	0	0	0	0	106.5	W505 L509	W505-S507 PolarHBondContact O-N 2.96Å; S507-L509 VanDerWaalsContact C-N 3.26Å; S507-L509 PolarHBondContact O-N 3.04Å
508	I	26.6	Very low	34	Very low	135 Å²	135	117.7 Å²	117.7	69%	0.692	62%	0.62	S	S	*	*			trans	-64.8	102.5	152	-65	178.8	0	0	0	104.3	V506 L510	V506-I508 HydrophobicContact CG1-CG1 4.07Å; V506-I508 PolarHBondContact O-N 3.43Å; I508-L510 HydrophobicContact CG2-CB 4.42Å; I508-L510 PolarHBondContact O-N 3.47Å
509	L	24.3	Very low	32.2	Very low	156 Å²	156	118.3 Å²	118.3	82%	0.817	63%	0.627	S	S	*	*			trans	-66	83.8	170.3	-82.2	168.5	0	0	0	109.1	S507	S507-L509 VanDerWaalsContact C-N 3.26Å; S507-L509 PolarHBondContact O-N 3.04Å
510	L	24.1	Very low	31	Very low	138 Å²	138	118.9 Å²	118.9	72%	0.723	63%	0.634	S	S	*	*			trans	-144	87.4	160	-89.9	174.7	0	0	0	109.1	I508	I508-L510 HydrophobicContact CG2-CB 4.42Å; I508-L510 PolarHBondContact O-N 3.47Å
511	N	24.8	Very low	30.5	Very low	143 Å²	143	119 Å²	119	77%	0.765	63%	0.631	S	S	*	*	S	Bend	trans	67	142.6	159.6	-58.5	-19	0	0	0	120.4
512	S	25.7	Very low	30.6	Very low	95 Å²	95	113.7 Å²	113.7	66%	0.664	60%	0.598	S	S	*	*	S	Bend	trans	58.5	104.2	159.1	51.4	0	0	0	0	119.7	L514	S512-L514 PolarHBondContact O-N 2.86Å
513	N	25	Very low	31.8	Very low	166 Å²	166	115.4 Å²	115.4	89%	0.888	60%	0.6	S	S	*	*			trans	25.5	76.5	136.7	-66.9	-21.7	0	0	0	119.2
514	L	29.3	Very low	33.8	Very low	114 Å²	114	112.9 Å²	112.9	60%	0.597	59%	0.589	S	S	*	*			trans	-147.3	97.6	152.6	-146.1	77.1	0	0	0	113.3	S512 T516	S512-L514 PolarHBondContact O-N 2.86Å; L514-T516 PolarHBondContact O-N 3.33Å; L514-T516 VanDerWaalsContact O-N 3.12Å
515	K	26.7	Very low	36.1	Very low	219 Å²	219	110.4 Å²	110.4	95%	0.952	58%	0.584	S	S	*	*			trans	-74.7	93.2	167.8	-76.9	-177	177.2	176.7	0	109.7
516	T	28.9	Very low	38.7	Very low	88 Å²	88	103.4 Å²	103.4	54%	0.54	56%	0.561	S	S	.	*			trans	-135	111.3	168.1	-43.2	0	0	0	0	111	L514 R518	L514-T516 PolarHBondContact O-N 3.33Å; L514-T516 VanDerWaalsContact O-N 3.12Å; T516-R518 PolarHBondContact O-N 2.93Å
517	C	28.8	Very low	41.3	Very low	99 Å²	99	98.2 Å²	98.2	67%	0.669	53%	0.53	S	S	*	.			trans	-56.4	117.8	-178.5	-56.3	0	0	0	0	112.4	W505	W505-C517 VanDerWaalsContact CH2-CA 3.48Å; W505-C517 HydrophobicContact CH2-CB 3.82Å; W505-C517 WeakPolarHBondContact CH2-SG 3.41Å; W505-C517 HydrophobicContact CZ2-CB 4.21Å
518	R	34.7	Very low	43.9	Very low	179 Å²	179	95.1 Å²	95.1	68%	0.675	51%	0.505	S	S	*	.			trans	-93.3	113.5	157.9	-91.6	-177.6	164.6	157.9	-2.7	109.2	T516 S520	T516-R518 PolarHBondContact O-N 2.93Å; R518-S520 PolarHBondContact O-N 3.29Å
519	M	27.4	Very low	46.9	Very low	164 Å²	164	88.8 Å²	88.8	81%	0.808	47%	0.473	S	S	*	.			trans	-72.1	84	157.8	-78.7	-158.4	77.6	0	0	109.3	H503	H503-M519 WeakPolarHBondContact NE2-CE 3.2Å
520	S	35.4	Very low	49.9	Very low	57 Å²	57	83 Å²	83	40%	0.399	44%	0.443	S	S	.	.			trans	-102.5	112.4	167.7	48.5	0	0	0	0	109.7	H503 R518 L522	H503-S520 VanDerWaalsContact ND1-C 3.27Å; H503-S520 PolarHBondContact ND1-O 3.12Å; R518-S520 PolarHBondContact O-N 3.29Å; S520-L522 PolarHBondContact O-N 3.09Å
521	A	42.4	Very low	52.8	Low	40 Å²	40	78.2 Å²	78.2	33%	0.331	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-51.8	127.2	159.3	0	0	0	0	0	108.1	H503 Q523	H503-A521 PolarHBondContact ND1-N 2.9Å; A521-Q523 PolarHBondContact O-N 3.41Å
522	L	51.2	Low	55.9	Low	21 Å²	21	71.4 Å²	71.4	11%	0.11	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	134.7	-169.9	-112.4	151.5	0	0	0	110.3	R496 K497 D499 R504 S520	R496-L522 CarbonylContact C-O 3.39Å; R496-L522 WeakPolarHBondContact CA-O 3.15Å; R496-L522 WeakPolarHBondContact CB-O 3.07Å; K497-L522 PolarHBondContact N-O 3.39Å; K497-L522 WeakPolarHBondContact O-CB 3.43Å; D499-L522 HydrophobicContact CB-CD1 4.04Å; D499-L522 VanDerWaalsContact OD2-CD1 3.31Å; D499-L522 WeakPolarHBondContact OD2-CD1 3.12Å; R504-L522 HydrophobicContact CB-CD1 3.73Å; R504-L522 HydrophobicContact CB-CD2 3.98Å; R504-L522 HydrophobicContact CB-CG 4.05Å; R504-L522 HydrophobicContact CG-CD1 3.88Å; R504-L522 HydrophobicContact CG-CD2 4.43Å; S520-L522 PolarHBondContact O-N 3.09Å
523	Q	64.8	Low	59	Low	90 Å²	90	67 Å²	67	42%	0.421	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	150.4	170.6	-70.3	160.4	-4.7	0	0	108.5	A521 T525 V559	A521-Q523 PolarHBondContact O-N 3.41Å; Q523-T525 PolarHBondContact O-N 3.24Å; Q523-V559 VanDerWaalsContact CD-CG1 3.43Å; Q523-V559 HydrophobicContact CG-CG1 4.36Å; Q523-V559 VanDerWaalsContact OE1-CG1 3.29Å
524	I	73.8	Confident	62	Low	3 Å²	3	59.6 Å²	59.6	2%	0.015	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-59.9	134.3	172.4	-54.2	162.3	0	0	0	108	F387 F492 A495 E528 F529 M532	F387-I524 HydrophobicContact CE1-CG1 4.49Å; F387-I524 HydrophobicContact CE2-CD1 3.81Å; F387-I524 HydrophobicContact CE2-CG1 4.22Å; F387-I524 HydrophobicContact CZ-CD1 3.47Å; F387-I524 VanDerWaalsContact CZ-CD1 3.47Å; F387-I524 HydrophobicContact CZ-CG1 3.77Å; F492-I524 HydrophobicContact CD1-CD1 4.26Å; A495-I524 PolarHBondContact O-N 3.41Å; I524-E528 HydrophobicContact CG2-CB 3.64Å; I524-F529 HydrophobicContact CG2-CB 4.21Å; I524-M532 HydrophobicContact CG2-CE 3.93Å
525	T	80.3	Confident	64.9	Low	40 Å²	40	54.7 Å²	54.7	25%	0.245	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-71.1	159.3	175	59.5	0	0	0	0	111.4	Q523 G527 E528 F529	Q523-T525 PolarHBondContact O-N 3.24Å; T525-G527 VanDerWaalsContact C-N 3.32Å; T525-G527 PolarHBondContact O-N 3.35Å; T525-E528 WeakPolarHBondContact CB-OE2 3.36Å; T525-E528 PolarHBondContact N-OE2 3.25Å; T525-E528 PolarHBondContact O-N 3.45Å; T525-E528 WeakPolarHBondContact OG1-CB 3.2Å; T525-E528 WeakPolarHBondContact OG1-CG 3.49Å; T525-E528 PolarHBondContact OG1-N 3.44Å; T525-E528 PolarHBondContact OG1-OE2 2.97Å; T525-F529 WeakPolarHBondContact O-CB 3.49Å; T525-F529 PolarHBondContact O-N 3.32Å
526	S	84	Confident	68.1	Low	23 Å²	23	44.3 Å²	44.3	16%	0.161	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-39.6	176	42.9	0	0	0	0	112.1	F529 I530 Q567	S526-F529 PolarHBondContact O-N 3.16Å; S526-I530 WeakPolarHBondContact O-CB 3.43Å; S526-I530 WeakPolarHBondContact O-CD1 3.5Å; S526-I530 WeakPolarHBondContact O-CG1 3.25Å; S526-I530 PolarHBondContact O-N 3.5Å; S526-Q567 WeakPolarHBondContact CB-O 3.26Å; S526-Q567 PolarHBondContact OG-O 2.81Å
527	G	81.9	Confident	71.1	Confident	3 Å²	3	40.2 Å²	40.2	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-66.8	-43.9	177.1	0	0	0	0	0	113.9	T525 F529 I530 Q531 D569	T525-G527 VanDerWaalsContact C-N 3.32Å; T525-G527 PolarHBondContact O-N 3.35Å; G527-F529 VanDerWaalsContact C-N 3.32Å; G527-F529 PolarHBondContact O-N 3.05Å; G527-I530 PolarHBondContact O-N 3.11Å; G527-Q531 PolarHBondContact O-N 3Å; G527-D569 VanDerWaalsContact CA-OD2 3.25Å; G527-D569 WeakPolarHBondContact CA-OD2 3.49Å
528	E	83	Confident	74	Confident	24 Å²	24	38 Å²	38	11%	0.112	19%	0.193	C	C	.	.	H	α-helix	trans	-58.8	-43.9	172.5	-73.5	164.3	147.9	0	0	111.1	K497 I524 T525 Q531 M532	K497-E528 IonicContact NZ-OE1 3.97Å; K497-E528 PolarHBondContact NZ-OE1 3.01Å; I524-E528 HydrophobicContact CG2-CB 3.64Å; T525-E528 WeakPolarHBondContact CB-OE2 3.36Å; T525-E528 PolarHBondContact N-OE2 3.25Å; T525-E528 PolarHBondContact O-N 3.45Å; T525-E528 WeakPolarHBondContact OG1-CB 3.2Å; T525-E528 WeakPolarHBondContact OG1-CG 3.49Å; T525-E528 PolarHBondContact OG1-N 3.44Å; T525-E528 PolarHBondContact OG1-OE2 2.97Å; E528-Q531 PolarHBondContact O-N 3.37Å; E528-M532 HydrophobicContact CB-CE 3.96Å; E528-M532 VanDerWaalsContact O-CE 3.3Å; E528-M532 WeakPolarHBondContact O-CE 3.49Å; E528-M532 PolarHBondContact O-N 3.21Å
529	F	89	Confident	76.5	Confident	2 Å²	2	35 Å²	35	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-43.9	176.9	-176.5	-102	0	0	0	112	H308 F492 I524 T525 S526 G527 Q531 M532 S533 V547 I563 I564	H308-F529 AromaticContact CE1-CE1 3.6Å; H308-F529 AromaticContact CE1-CZ 3.93Å; H308-F529 AromaticContact ND1-CE1 3.52Å; H308-F529 AromaticContact ND1-CZ 3.43Å; H308-F529 WeakPolarHBondContact ND1-CZ 3.42Å; F492-F529 HydrophobicContact CD2-CD2 4.49Å; F492-F529 AromaticContact CD2-CE2 3.96Å; F492-F529 HydrophobicContact CD2-CE2 3.96Å; F492-F529 HydrophobicContact CE1-CD2 4.07Å; F492-F529 HydrophobicContact CE1-CE2 4.45Å; F492-F529 AromaticContact CE2-CD2 3.81Å; F492-F529 HydrophobicContact CE2-CD2 3.81Å; F492-F529 AromaticContact CE2-CE2 3.42Å; F492-F529 HydrophobicContact CE2-CE2 3.42Å; F492-F529 VanDerWaalsContact CE2-CE2 3.42Å; F492-F529 HydrophobicContact CE2-CZ 4.29Å; F492-F529 AromaticContact CZ-CD2 3.55Å; F492-F529 HydrophobicContact CZ-CD2 3.55Å; F492-F529 AromaticContact CZ-CE2 3.71Å; F492-F529 HydrophobicContact CZ-CE2 3.71Å; F492-F529 HydrophobicContact CZ-CG 4.49Å; I524-F529 HydrophobicContact CG2-CB 4.21Å; T525-F529 WeakPolarHBondContact O-CB 3.49Å; T525-F529 PolarHBondContact O-N 3.32Å; S526-F529 PolarHBondContact O-N 3.16Å; G527-F529 VanDerWaalsContact C-N 3.32Å; G527-F529 PolarHBondContact O-N 3.05Å; F529-Q531 PolarHBondContact O-N 2.99Å; F529-M532 PolarHBondContact O-N 2.95Å; F529-S533 WeakPolarHBondContact O-CB 3.43Å; F529-S533 PolarHBondContact O-N 2.86Å; F529-S533 PolarHBondContact O-OG 3.4Å; F529-V547 HydrophobicContact CE2-CG1 4.37Å; F529-V547 HydrophobicContact CZ-CG1 4.01Å; F529-I563 HydrophobicContact CB-CG2 4.01Å; F529-I563 HydrophobicContact CD1-CG2 4.16Å; F529-I563 WeakPolarHBondContact CD1-O 3.39Å; F529-I563 HydrophobicContact CD2-CG2 3.77Å; F529-I563 HydrophobicContact CE2-CG2 4.23Å; F529-I563 HydrophobicContact CG-CG2 3.71Å; F529-I564 HydrophobicContact CE1-CB 4.4Å; F529-I564 HydrophobicContact CE1-CG1 4.04Å; F529-I564 HydrophobicContact CZ-CG1 4.04Å
530	I	87.2	Confident	79.3	Confident	36 Å²	36	31.2 Å²	31.2	19%	0.185	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-38.3	177.4	-71.6	163.2	0	0	0	111.6	S526 G527 G534 P568	S526-I530 WeakPolarHBondContact O-CB 3.43Å; S526-I530 WeakPolarHBondContact O-CD1 3.5Å; S526-I530 WeakPolarHBondContact O-CG1 3.25Å; S526-I530 PolarHBondContact O-N 3.5Å; G527-I530 PolarHBondContact O-N 3.11Å; I530-G534 VanDerWaalsContact O-CA 3.24Å; I530-G534 WeakPolarHBondContact O-CA 3.49Å; I530-G534 PolarHBondContact O-N 2.89Å; I530-P568 HydrophobicContact CD1-CB 4.16Å
531	Q	85.6	Confident	81.8	Confident	36 Å²	36	34.1 Å²	34.1	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-49.1	175.6	-76.9	-177.9	-34.1	0	0	112	H245 G527 E528 F529 G534	H245-Q531 PolarHBondContact CD2-NE2 2.93Å; H245-Q531 PolarHBondContact NE2-NE2 2.92Å; G527-Q531 PolarHBondContact O-N 3Å; E528-Q531 PolarHBondContact O-N 3.37Å; F529-Q531 PolarHBondContact O-N 2.99Å; Q531-G534 PolarHBondContact O-N 2.97Å
532	M	89.4	Confident	84.2	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-68.6	-51.9	-179.8	-77	-178.2	-80.8	0	0	112.6	F385 F387 E477 S480 F492 I524 E528 F529 G534 R535	F385-M532 HydrophobicContact CB-SD 4.3Å; F385-M532 HydrophobicContact CD1-CG 4.35Å; F385-M532 HydrophobicContact CD1-SD 4.19Å; F385-M532 HydrophobicContact CD2-CB 3.89Å; F385-M532 HydrophobicContact CD2-CG 4.13Å; F385-M532 HydrophobicContact CD2-SD 4.28Å; F385-M532 HydrophobicContact CE1-CG 4.24Å; F385-M532 HydrophobicContact CE2-CB 3.72Å; F385-M532 HydrophobicContact CE2-CG 4.02Å; F385-M532 HydrophobicContact CG-CG 4.31Å; F385-M532 HydrophobicContact CG-SD 4.01Å; F385-M532 HydrophobicContact CZ-CB 4.22Å; F385-M532 HydrophobicContact CZ-CG 4.08Å; F387-M532 HydrophobicContact CE1-CE 4.07Å; F387-M532 HydrophobicContact CE1-SD 4.2Å; F387-M532 HydrophobicContact CZ-CE 4.24Å; F387-M532 HydrophobicContact CZ-SD 4.41Å; E477-M532 HydrophobicContact CB-SD 4.3Å; E477-M532 HydrophobicContact CG-CE 4.4Å; E477-M532 HydrophobicContact CG-SD 4.12Å; S480-M532 WeakPolarHBondContact OG-CG 3.33Å; F492-M532 HydrophobicContact CD1-SD 4.46Å; F492-M532 HydrophobicContact CE1-CB 3.59Å; F492-M532 HydrophobicContact CE1-CE 3.9Å; F492-M532 HydrophobicContact CE1-CG 4.29Å; F492-M532 HydrophobicContact CE1-SD 3.74Å; F492-M532 HydrophobicContact CZ-CB 3.56Å; I524-M532 HydrophobicContact CG2-CE 3.93Å; E528-M532 HydrophobicContact CB-CE 3.96Å; E528-M532 VanDerWaalsContact O-CE 3.3Å; E528-M532 WeakPolarHBondContact O-CE 3.49Å; E528-M532 PolarHBondContact O-N 3.21Å; F529-M532 PolarHBondContact O-N 2.95Å; M532-G534 PolarHBondContact O-N 3.22Å; M532-R535 WeakPolarHBondContact O-CB 3.41Å; M532-R535 WeakPolarHBondContact O-CG 3.17Å; M532-R535 PolarHBondContact O-N 3.36Å
533	S	90.9	Very high	86.1	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-26.7	176.2	67.1	0	0	0	0	112.2	F529 R535 A536	F529-S533 WeakPolarHBondContact O-CB 3.43Å; F529-S533 PolarHBondContact O-N 2.86Å; F529-S533 PolarHBondContact O-OG 3.4Å; S533-R535 PolarHBondContact O-N 2.91Å; S533-A536 WeakPolarHBondContact O-CB 3.13Å; S533-A536 PolarHBondContact O-N 3.34Å
534	G	87.7	Confident	87.4	Confident	9 Å²	9	40 Å²	40	9%	0.093	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-11.5	176.3	0	0	0	0	0	115	R302 I530 Q531 M532	R302-G534 PolarHBondContact NH1-O 2.74Å; I530-G534 VanDerWaalsContact O-CA 3.24Å; I530-G534 WeakPolarHBondContact O-CA 3.49Å; I530-G534 PolarHBondContact O-N 2.89Å; Q531-G534 PolarHBondContact O-N 2.97Å; M532-G534 PolarHBondContact O-N 3.22Å
535	R	90.7	Very high	88.4	Confident	11 Å²	11	39.8 Å²	39.8	4%	0.042	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.7	171.8	-57.2	-64.6	169.8	177.8	2.8	113.9	I383 S480 L483 P486 A487 V490 M532 S533	I383-R535 HydrophobicContact CD1-CB 4.02Å; S480-R535 PolarHBondContact O-NE 3.4Å; S480-R535 PolarHBondContact O-NH2 3.27Å; L483-R535 VanDerWaalsContact O-CZ 3.31Å; L483-R535 PolarHBondContact O-NH1 3.31Å; L483-R535 PolarHBondContact O-NH2 3.3Å; P486-R535 CarbonylContact C-O 3.57Å; P486-R535 WeakPolarHBondContact CA-O 3.38Å; A487-R535 PolarHBondContact N-O 3.17Å; V490-R535 HydrophobicContact CG2-CB 4.08Å; M532-R535 WeakPolarHBondContact O-CB 3.41Å; M532-R535 WeakPolarHBondContact O-CG 3.17Å; M532-R535 PolarHBondContact O-N 3.36Å; S533-R535 PolarHBondContact O-N 2.91Å
536	A	92.9	Very high	89.1	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.008	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-79.5	142	172.6	0	0	0	0	0	112.1	L306 A487 V490 S533 L546 V547	L306-A536 HydrophobicContact CD2-CB 3.84Å; L306-A536 WeakPolarHBondContact CD2-O 3.17Å; A487-A536 CarbonylContact O-C 3.5Å; A487-A536 WeakPolarHBondContact O-CA 3.26Å; V490-A536 HydrophobicContact CB-CB 4.29Å; V490-A536 HydrophobicContact CG2-CB 3.84Å; S533-A536 WeakPolarHBondContact O-CB 3.13Å; S533-A536 PolarHBondContact O-N 3.34Å; A536-L546 WeakPolarHBondContact CB-O 3.04Å; A536-V547 HydrophobicContact CB-CG2 4.01Å
537	G	91.5	Very high	89.7	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.021	19%	0.194	C	C	.	.			trans	88.3	107	177.7	0	0	0	0	0	113.6	A487	A487-G537 PolarHBondContact O-N 3.12Å
538	R	91	Very high	90.2	Very high	53 Å²	53	37.3 Å²	37.3	20%	0.2	19%	0.192	C	C	.	.			trans	-90.7	115.6	177.5	-59.2	169.7	-66.7	166.1	5.7	110.7	P486 G540 I541 D542	P486-R538 HydrophobicContact CB-CG 3.89Å; P486-R538 HydrophobicContact CG-CG 3.97Å; R538-G540 PolarHBondContact O-N 3.03Å; R538-I541 HydrophobicContact CB-CB 4.11Å; R538-I541 HydrophobicContact CB-CD1 4.32Å; R538-I541 PolarHBondContact O-N 3.06Å; R538-D542 VanDerWaalsContact CB-OD2 3.27Å; R538-D542 WeakPolarHBondContact CB-OD2 3.41Å; R538-D542 WeakPolarHBondContact CG-OD2 3.4Å; R538-D542 IonicContact CZ-OD1 3.44Å; R538-D542 IonicContact CZ-OD2 3.51Å; R538-D542 PolarHBondContact N-OD2 3.34Å; R538-D542 IonicContact NE-OD1 3.03Å; R538-D542 IonicContact NE-OD2 2.74Å; R538-D542 PolarHBondContact NE-OD2 3.5Å; R538-D542 IonicContact NH2-OD1 3.51Å; R538-D542 PolarHBondContact NH2-OD1 2.9Å; R538-D542 IonicContact NH2-OD2 3.81Å; R538-D542 PolarHBondContact NH2-OD2 2.88Å; R538-D542 PolarHBondContact O-N 3.23Å
539	R	87.5	Confident	90.6	Very high	116 Å²	116	36.3 Å²	36.3	44%	0.438	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	127.5	-179.7	-171.4	176.2	-177.2	157	3.4	110.2	D131 A155 P303 V304 I541	D131-R539 IonicContact OD1-NH2 2.93Å; D131-R539 IonicContact OD2-CZ 3.98Å; D131-R539 IonicContact OD2-NH1 3.2Å; D131-R539 PolarHBondContact OD2-NH1 2.83Å; D131-R539 IonicContact OD2-NH2 3.79Å; D131-R539 PolarHBondContact OD2-NH2 3.02Å; A155-R539 PolarHBondContact O-NH1 2.73Å; P303-R539 HydrophobicContact CB-CG 4.06Å; V304-R539 HydrophobicContact CG2-CB 4.35Å; R539-I541 VanDerWaalsContact C-N 3.31Å; R539-I541 PolarHBondContact O-N 3.42Å
540	G	85.1	Confident	90.5	Very high	84 Å²	84	36.5 Å²	36.5	87%	0.866	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-7.3	-178.9	0	0	0	0	0	115.9	R538	R538-G540 PolarHBondContact O-N 3.03Å
541	I	88.7	Confident	90.2	Very high	118 Å²	118	34.9 Å²	34.9	61%	0.605	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.8	-46.1	-179.8	-54.1	175.4	0	0	0	111.5	R538 R539	R538-I541 HydrophobicContact CB-CB 4.11Å; R538-I541 HydrophobicContact CB-CD1 4.32Å; R538-I541 PolarHBondContact O-N 3.06Å; R539-I541 VanDerWaalsContact C-N 3.31Å; R539-I541 PolarHBondContact O-N 3.42Å
542	D	91.9	Very high	89.7	Confident	14 Å²	14	36.3 Å²	36.3	8%	0.075	19%	0.19	C	C	.	.			trans	-105.3	132.5	-177.8	-56.3	-50.8	0	0	0	111.2	V304 K488 R538 R544	V304-D542 WeakPolarHBondContact CG1-O 3.41Å; K488-D542 VanDerWaalsContact CD-OD1 3.31Å; K488-D542 WeakPolarHBondContact CD-OD1 3.27Å; K488-D542 WeakPolarHBondContact CG-OD1 3.37Å; R538-D542 VanDerWaalsContact CB-OD2 3.27Å; R538-D542 WeakPolarHBondContact CB-OD2 3.41Å; R538-D542 WeakPolarHBondContact CG-OD2 3.4Å; R538-D542 IonicContact CZ-OD1 3.44Å; R538-D542 IonicContact CZ-OD2 3.51Å; R538-D542 PolarHBondContact N-OD2 3.34Å; R538-D542 IonicContact NE-OD1 3.03Å; R538-D542 IonicContact NE-OD2 2.74Å; R538-D542 PolarHBondContact NE-OD2 3.5Å; R538-D542 IonicContact NH2-OD1 3.51Å; R538-D542 PolarHBondContact NH2-OD1 2.9Å; R538-D542 IonicContact NH2-OD2 3.81Å; R538-D542 PolarHBondContact NH2-OD2 2.88Å; R538-D542 PolarHBondContact O-N 3.23Å; D542-R544 VanDerWaalsContact C-N 3.26Å; D542-R544 PolarHBondContact O-N 2.94Å
543	E	91.3	Very high	88.7	Confident	159 Å²	159	38.5 Å²	38.5	74%	0.743	20%	0.204	S	C	*	.	S	Bend	trans	-65.3	-30.2	171.8	-62.3	178.1	163.2	0	0	112.8	P305	P305-E543 WeakPolarHBondContact CD-O 3.4Å
544	R	92.3	Very high	87.7	Confident	101 Å²	101	43.2 Å²	43.2	38%	0.381	23%	0.227	S	C	.	.	S	Bend	trans	-157	144.1	-177.4	60.7	-170.7	-174.4	-87.6	0.2	111	P305 Q307 D542 L546	P305-R544 HydrophobicContact CG-CB 4.36Å; P305-R544 CarbonylContact O-C 3.54Å; P305-R544 VanDerWaalsContact O-CA 3.28Å; P305-R544 WeakPolarHBondContact O-CA 3.36Å; Q307-R544 VanDerWaalsContact OE1-NE 3.12Å; D542-R544 VanDerWaalsContact C-N 3.26Å; D542-R544 PolarHBondContact O-N 2.94Å; R544-L546 HydrophobicContact CG-CD1 4.23Å
545	G	94.2	Very high	86.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	140.4	172.4	0	0	0	0	0	111	P305 L306 Q307	P305-G545 PolarHBondContact O-N 2.85Å; L306-G545 CarbonylContact C-O 3.59Å; L306-G545 WeakPolarHBondContact CA-O 3.08Å; Q307-G545 PolarHBondContact N-O 3.14Å
546	L	95.6	Very high	85.8	Confident	11 Å²	11	45.4 Å²	45.4	6%	0.058	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.6	177	-76.9	81.3	0	0	0	111	Y309 L379 K488 T489 V490 A536 R544	Y309-L546 HydrophobicContact CD2-CD2 4.44Å; Y309-L546 HydrophobicContact CE2-CD2 3.81Å; Y309-L546 HydrophobicContact CE2-CG 4.19Å; L379-L546 HydrophobicContact CD1-CD2 3.77Å; L379-L546 HydrophobicContact CD2-CD1 4.04Å; L379-L546 HydrophobicContact CD2-CD2 3.96Å; K488-L546 PolarHBondContact O-N 3.09Å; T489-L546 CarbonylContact C-O 3.52Å; T489-L546 VanDerWaalsContact CA-O 3.27Å; T489-L546 WeakPolarHBondContact CA-O 3.46Å; T489-L546 HydrophobicContact CG2-CB 4.17Å; V490-L546 PolarHBondContact N-O 3.23Å; A536-L546 WeakPolarHBondContact CB-O 3.04Å; R544-L546 HydrophobicContact CG-CD1 4.23Å
547	V	95.5	Very high	84.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.9	179	-175.9	0	0	0	0	107.9	L306 Q307 H308 Y309 V490 F492 F529 A536	L306-V547 HydrophobicContact CD1-CG2 4.32Å; L306-V547 HydrophobicContact CD2-CG2 4.42Å; Q307-V547 PolarHBondContact O-N 3.24Å; H308-V547 CarbonylContact C-O 3.59Å; H308-V547 WeakPolarHBondContact CA-O 3.45Å; H308-V547 HydrophobicContact CB-CB 4.46Å; H308-V547 WeakPolarHBondContact ND1-CB 3.33Å; Y309-V547 PolarHBondContact N-O 2.82Å; V490-V547 CarbonylContact O-C 3.6Å; V490-V547 WeakPolarHBondContact O-CA 3.29Å; F492-V547 HydrophobicContact CD2-CG1 4.21Å; F492-V547 HydrophobicContact CE2-CG1 3.72Å; F529-V547 HydrophobicContact CE2-CG1 4.37Å; F529-V547 HydrophobicContact CZ-CG1 4.01Å; A536-V547 HydrophobicContact CB-CG2 4.01Å
548	I	93.9	Very high	84.2	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.1	-178.3	-54	-179.9	0	0	0	108.8	Y309 I318 V370 I374 T489 V490 L491 F492	Y309-I548 WeakPolarHBondContact O-CA 3.38Å; I318-I548 HydrophobicContact CD1-CD1 4.41Å; I318-I548 HydrophobicContact CG2-CG2 4.44Å; V370-I548 HydrophobicContact CG1-CD1 4.38Å; V370-I548 HydrophobicContact CG1-CG2 4.46Å; I374-I548 HydrophobicContact CD1-CD1 3.96Å; I374-I548 HydrophobicContact CG1-CD1 4.14Å; T489-I548 HydrophobicContact CG2-CD1 4.19Å; T489-I548 HydrophobicContact CG2-CG1 4.38Å; V490-I548 PolarHBondContact O-N 3.44Å; L491-I548 CarbonylContact C-O 3.6Å; L491-I548 WeakPolarHBondContact CA-O 3.2Å; L491-I548 HydrophobicContact CD1-CB 3.75Å; L491-I548 HydrophobicContact CD1-CG2 3.65Å; F492-I548 PolarHBondContact N-O 3.04Å
549	L	90.2	Very high	83.7	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	108.1	175.4	-177.4	61.3	0	0	0	109.6	Y309 V310 Y311 F492 A495 I551	Y309-L549 PolarHBondContact O-N 3.4Å; V310-L549 WeakPolarHBondContact CA-O 3.33Å; Y311-L549 PolarHBondContact N-O 2.76Å; F492-L549 HydrophobicContact CB-CD1 3.73Å; F492-L549 HydrophobicContact CD2-CD1 4.5Å; F492-L549 HydrophobicContact CG-CD1 4.21Å; A495-L549 HydrophobicContact CB-CD1 3.93Å; A495-L549 HydrophobicContact CB-CD2 4.48Å; A495-L549 HydrophobicContact CB-CG 4.5Å; L549-I551 HydrophobicContact CD2-CG2 4.31Å; L549-I551 HydrophobicContact CG-CG2 4.1Å
550	A	87.4	Confident	83.2	Confident	5 Å²	5	45.6 Å²	45.6	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	126.2	169.5	0	0	0	0	0	109.8	Y311 M313 F492	Y311-A550 HydrophobicContact CD1-CB 4.23Å; Y311-A550 WeakPolarHBondContact O-CA 3.41Å; M313-A550 HydrophobicContact CG-CB 4.37Å; F492-A550 WeakPolarHBondContact O-CB 3.42Å; F492-A550 PolarHBondContact O-N 2.73Å
551	I	80.9	Confident	83.1	Confident	2 Å²	2	45 Å²	45	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.6	175.1	58.7	172.9	0	0	0	109.7	V310 Y311 M313 V337 F340 L549	V310-I551 HydrophobicContact CG1-CD1 3.45Å; V310-I551 VanDerWaalsContact CG1-CD1 3.45Å; V310-I551 HydrophobicContact CG1-CG1 3.76Å; V310-I551 HydrophobicContact CG1-CG2 4.45Å; Y311-I551 PolarHBondContact O-N 3.08Å; M313-I551 WeakPolarHBondContact CB-O 3.36Å; M313-I551 VanDerWaalsContact CG-O 3.29Å; M313-I551 WeakPolarHBondContact CG-O 3.49Å; M313-I551 PolarHBondContact N-O 2.99Å; V337-I551 HydrophobicContact CG2-CD1 4.3Å; F340-I551 HydrophobicContact CE2-CD1 3.76Å; F340-I551 HydrophobicContact CE2-CG1 3.83Å; F340-I551 HydrophobicContact CZ-CD1 4.42Å; F340-I551 HydrophobicContact CZ-CG1 3.98Å; F340-I551 VanDerWaalsContact CZ-O 3.26Å; F340-I551 WeakPolarHBondContact CZ-O 3.41Å; L549-I551 HydrophobicContact CD2-CG2 4.31Å; L549-I551 HydrophobicContact CG-CG2 4.1Å
552	D	74.4	Confident	82.9	Confident	67 Å²	67	44.7 Å²	44.7	36%	0.358	24%	0.239	S	C	.	.			trans	-107.3	-11.8	-177.5	71	-26.5	0	0	0	112.9	M313	M313-D552 HydrophobicContact SD-CB 3.82Å
553	T	69.5	Low	82.5	Confident	46 Å²	46	44.3 Å²	44.3	28%	0.282	24%	0.237	S	C	.	.	S	Bend	trans	-145.7	155.9	-166.8	44.6	0	0	0	0	110	R496 M555	R496-T553 PolarHBondContact NH2-OG1 2.84Å; T553-M555 PolarHBondContact O-N 2.85Å
554	M	69.4	Low	82.2	Confident	103 Å²	103	37.3 Å²	37.3	51%	0.507	21%	0.205	S	C	.	.			trans	-64.7	123.3	174.1	-65.1	-175.1	-169.8	0	0	110.2	V337 F340 T341	V337-M554 HydrophobicContact CG1-CB 4.27Å; V337-M554 HydrophobicContact CG1-CG 4.06Å; F340-M554 HydrophobicContact CB-CE 3.64Å; F340-M554 HydrophobicContact CB-CG 4.2Å; T341-M554 HydrophobicContact CG2-CE 3.38Å; T341-M554 HydrophobicContact CG2-SD 4.16Å
555	M	69.2	Low	81.8	Confident	22 Å²	22	36.3 Å²	36.3	11%	0.108	21%	0.205	C	C	.	.			trans	-115.3	135.5	177.3	178	-178.8	-76.2	0	0	107.9	F333 A495 T553 V559 A560 I563	F333-M555 WeakPolarHBondContact CE1-O 3.47Å; F333-M555 HydrophobicContact CZ-CB 4.26Å; F333-M555 HydrophobicContact CZ-CG 4.36Å; A495-M555 HydrophobicContact CB-CE 3.5Å; T553-M555 PolarHBondContact O-N 2.85Å; M555-V559 HydrophobicContact CE-CG1 4.08Å; M555-V559 HydrophobicContact CG-CB 3.78Å; M555-V559 HydrophobicContact CG-CG1 3.64Å; M555-V559 HydrophobicContact SD-CB 4.34Å; M555-V559 HydrophobicContact SD-CG1 3.77Å; M555-A560 HydrophobicContact CG-CB 4.46Å; M555-A560 HydrophobicContact SD-CB 3.78Å; M555-I563 HydrophobicContact CE-CD1 4.05Å; M555-I563 HydrophobicContact SD-CD1 4.26Å
556	G	70	Confident	81.1	Confident	43 Å²	43	37.1 Å²	37.1	44%	0.443	21%	0.214	S	C	.	.			trans	-66.7	146.3	175	0	0	0	0	0	111.3	D558 V559 A560	G556-D558 VanDerWaalsContact C-N 3.25Å; G556-D558 PolarHBondContact O-N 3.26Å; G556-V559 WeakPolarHBondContact O-CB 3.41Å; G556-V559 PolarHBondContact O-N 3.38Å; G556-A560 PolarHBondContact O-N 2.73Å
557	G	74.5	Confident	80.5	Confident	21 Å²	21	43.5 Å²	43.5	22%	0.216	24%	0.243	C	C	.	.	H	α-helix	trans	-53.8	-42.5	179.4	0	0	0	0	0	112.7	V559 A560 K561	G557-V559 VanDerWaalsContact C-N 3.29Å; G557-V559 PolarHBondContact O-N 2.99Å; G557-A560 PolarHBondContact O-N 2.83Å; G557-K561 VanDerWaalsContact O-CB 3.25Å; G557-K561 WeakPolarHBondContact O-CB 3.31Å; G557-K561 PolarHBondContact O-N 3.25Å
558	D	76.7	Confident	79.9	Confident	119 Å²	119	44.5 Å²	44.5	64%	0.636	25%	0.25	S	C	*	.	H	α-helix	trans	-60.2	-37	178	-49.4	-57.6	0	0	0	112.7	G556 N562	G556-D558 VanDerWaalsContact C-N 3.25Å; G556-D558 PolarHBondContact O-N 3.26Å; D558-N562 VanDerWaalsContact O-CB 3.25Å; D558-N562 WeakPolarHBondContact O-CB 3.44Å; D558-N562 PolarHBondContact O-N 3.11Å; D558-N562 PolarHBondContact O-ND2 2.94Å; D558-N562 PolarHBondContact O-OD1 3.01Å
559	V	78.7	Confident	79.6	Confident	36 Å²	36	46.8 Å²	46.8	22%	0.218	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-49.8	177.5	171.6	0	0	0	0	110.3	Q523 M555 G556 G557 K561 N562 I563	Q523-V559 VanDerWaalsContact CD-CG1 3.43Å; Q523-V559 HydrophobicContact CG-CG1 4.36Å; Q523-V559 VanDerWaalsContact OE1-CG1 3.29Å; M555-V559 HydrophobicContact CE-CG1 4.08Å; M555-V559 HydrophobicContact CG-CB 3.78Å; M555-V559 HydrophobicContact CG-CG1 3.64Å; M555-V559 HydrophobicContact SD-CB 4.34Å; M555-V559 HydrophobicContact SD-CG1 3.77Å; G556-V559 WeakPolarHBondContact O-CB 3.41Å; G556-V559 PolarHBondContact O-N 3.38Å; G557-V559 VanDerWaalsContact C-N 3.29Å; G557-V559 PolarHBondContact O-N 2.99Å; V559-K561 VanDerWaalsContact C-N 3.31Å; V559-K561 PolarHBondContact O-N 3.3Å; V559-N562 PolarHBondContact O-N 3.47Å; V559-I563 HydrophobicContact CG1-CD1 3.89Å; V559-I563 WeakPolarHBondContact O-CG1 3.44Å; V559-I563 PolarHBondContact O-N 3.13Å
560	A	77.9	Confident	79.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-39.7	179.5	0	0	0	0	0	111.7	F328 F333 M555 G556 G557 I563 I564	F328-A560 HydrophobicContact CZ-CB 4.29Å; F333-A560 HydrophobicContact CD2-CB 3.81Å; F333-A560 HydrophobicContact CE1-CB 4.13Å; F333-A560 HydrophobicContact CE2-CB 3.19Å; F333-A560 HydrophobicContact CG-CB 4.5Å; F333-A560 HydrophobicContact CZ-CB 3.39Å; M555-A560 HydrophobicContact CG-CB 4.46Å; M555-A560 HydrophobicContact SD-CB 3.78Å; G556-A560 PolarHBondContact O-N 2.73Å; G557-A560 PolarHBondContact O-N 2.83Å; A560-I563 PolarHBondContact O-N 2.77Å; A560-I564 WeakPolarHBondContact O-CB 3.44Å; A560-I564 WeakPolarHBondContact O-CG1 3.47Å; A560-I564 PolarHBondContact O-N 3.05Å
561	K	82.7	Confident	79.8	Confident	73 Å²	73	48.9 Å²	48.9	32%	0.317	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-42.7	174.6	-168	174.6	-174.5	173.1	0	111.6	F328 E330 G557 V559 I564 M565	F328-K561 HydrophobicContact CD1-CB 4.14Å; F328-K561 HydrophobicContact CD1-CD 4.14Å; F328-K561 HydrophobicContact CD1-CG 3.93Å; F328-K561 HydrophobicContact CE1-CB 3.9Å; F328-K561 HydrophobicContact CE1-CD 4.45Å; F328-K561 HydrophobicContact CE1-CG 4.21Å; F328-K561 HydrophobicContact CG-CG 4.45Å; F328-K561 HydrophobicContact CZ-CB 4.36Å; E330-K561 IonicContact OE1-NZ 2.71Å; E330-K561 PolarHBondContact OE1-NZ 2.83Å; G557-K561 VanDerWaalsContact O-CB 3.25Å; G557-K561 WeakPolarHBondContact O-CB 3.31Å; G557-K561 PolarHBondContact O-N 3.25Å; V559-K561 VanDerWaalsContact C-N 3.31Å; V559-K561 PolarHBondContact O-N 3.3Å; K561-I564 PolarHBondContact O-N 2.67Å; K561-M565 HydrophobicContact CG-SD 4.21Å; K561-M565 WeakPolarHBondContact O-CA 3.43Å; K561-M565 WeakPolarHBondContact O-CB 3.45Å; K561-M565 PolarHBondContact O-N 2.88Å
562	N	84.5	Confident	80.3	Confident	110 Å²	110	52.1 Å²	52.1	59%	0.588	29%	0.293	S	S	*	.	H	α-helix	trans	-68.9	-30.9	175.6	-71.2	-14.8	0	0	0	113.2	D558 V559 G566	D558-N562 VanDerWaalsContact O-CB 3.25Å; D558-N562 WeakPolarHBondContact O-CB 3.44Å; D558-N562 PolarHBondContact O-N 3.11Å; D558-N562 PolarHBondContact O-ND2 2.94Å; D558-N562 PolarHBondContact O-OD1 3.01Å; V559-N562 PolarHBondContact O-N 3.47Å; N562-G566 WeakPolarHBondContact O-CA 3.31Å; N562-G566 PolarHBondContact O-N 2.97Å; N562-G566 VanDerWaalsContact O-N 3.11Å
563	I	84.3	Confident	81.1	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-72	-44.2	174	-67	166.9	0	0	0	110.7	F529 M555 V559 A560	F529-I563 HydrophobicContact CB-CG2 4.01Å; F529-I563 HydrophobicContact CD1-CG2 4.16Å; F529-I563 WeakPolarHBondContact CD1-O 3.39Å; F529-I563 HydrophobicContact CD2-CG2 3.77Å; F529-I563 HydrophobicContact CE2-CG2 4.23Å; F529-I563 HydrophobicContact CG-CG2 3.71Å; M555-I563 HydrophobicContact CE-CD1 4.05Å; M555-I563 HydrophobicContact SD-CD1 4.26Å; V559-I563 HydrophobicContact CG1-CD1 3.89Å; V559-I563 WeakPolarHBondContact O-CG1 3.44Å; V559-I563 PolarHBondContact O-N 3.13Å; A560-I563 PolarHBondContact O-N 2.77Å
564	I	84.7	Confident	82	Confident	12 Å²	12	50.4 Å²	50.4	6%	0.062	28%	0.281	C	S	.	.	H	α-helix	trans	-85.6	-39.9	-171.5	-65.3	165	0	0	0	112.9	H308 V321 Y322 F328 F529 A560 K561	H308-I564 HydrophobicContact CB-CG2 4.25Å; V321-I564 HydrophobicContact CG2-CD1 3.82Å; Y322-I564 HydrophobicContact CD2-CG2 3.89Å; Y322-I564 HydrophobicContact CG-CG2 4.07Å; F328-I564 HydrophobicContact CE2-CD1 3.91Å; F529-I564 HydrophobicContact CE1-CB 4.4Å; F529-I564 HydrophobicContact CE1-CG1 4.04Å; F529-I564 HydrophobicContact CZ-CG1 4.04Å; A560-I564 WeakPolarHBondContact O-CB 3.44Å; A560-I564 WeakPolarHBondContact O-CG1 3.47Å; A560-I564 PolarHBondContact O-N 3.05Å; K561-I564 PolarHBondContact O-N 2.67Å
565	M	84.3	Confident	83	Confident	79 Å²	79	46 Å²	46	39%	0.389	26%	0.258	S	S	.	.	S	Bend	trans	-107.8	5.9	-179.8	-55	-169.7	75	0	0	113.5	Y322 G326 F328 K561	Y322-M565 HydrophobicContact CD2-CG 4.11Å; Y322-M565 HydrophobicContact CE2-CE 4.27Å; Y322-M565 HydrophobicContact CE2-CG 3.95Å; G326-M565 WeakPolarHBondContact O-CE 3.4Å; F328-M565 HydrophobicContact CB-CG 4.11Å; F328-M565 HydrophobicContact CB-SD 3.34Å; F328-M565 WeakPolarHBondContact CB-SD 3.43Å; F328-M565 HydrophobicContact CG-SD 4.26Å; K561-M565 HydrophobicContact CG-SD 4.21Å; K561-M565 WeakPolarHBondContact O-CA 3.43Å; K561-M565 WeakPolarHBondContact O-CB 3.45Å; K561-M565 PolarHBondContact O-N 2.88Å
566	G	79.7	Confident	83.9	Confident	18 Å²	18	50.1 Å²	50.1	19%	0.186	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-63.5	150.6	-179.6	0	0	0	0	0	112.1	N562	N562-G566 WeakPolarHBondContact O-CA 3.31Å; N562-G566 PolarHBondContact O-N 2.97Å; N562-G566 VanDerWaalsContact O-N 3.11Å
567	Q	81.6	Confident	84.9	Confident	145 Å²	145	48.4 Å²	48.4	68%	0.678	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-64.7	146.6	173.9	-66.4	-63.2	-39.2	0	0	110.3	S526	S526-Q567 WeakPolarHBondContact CB-O 3.26Å; S526-Q567 PolarHBondContact OG-O 2.81Å
568	P	84.4	Confident	85.7	Confident	22 Å²	22	48.9 Å²	48.9	14%	0.143	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-63.5	145.8	170.2	26.8	-32.3	0	0	0	110.4	T275 P277 I530	T275-P568 WeakPolarHBondContact O-CB 3.43Å; T275-P568 WeakPolarHBondContact O-CG 3.31Å; P277-P568 WeakPolarHBondContact CD-O 3.43Å; I530-P568 HydrophobicContact CD1-CB 4.16Å
569	D	85.7	Confident	86.5	Confident	49 Å²	49	44.5 Å²	44.5	26%	0.262	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-62.7	137.8	-176.8	-51	-59.4	0	0	0	111.4	R248 G527	R248-D569 PolarHBondContact NH1-O 3.04Å; G527-D569 VanDerWaalsContact CA-OD2 3.25Å; G527-D569 WeakPolarHBondContact CA-OD2 3.49Å
570	P	90.4	Very high	87.2	Confident	52 Å²	52	43.2 Å²	43.2	34%	0.338	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-58.6	147.8	173.6	26.6	-34.8	0	0	0	111.5	P277 N278 N572	P277-P570 HydrophobicContact CG-CB 4Å; N278-P570 WeakPolarHBondContact OD1-CA 3.46Å; P570-N572 PolarHBondContact O-N 2.91Å
571	L	92	Very high	87.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.			trans	-72.9	94.1	167.1	-175	56.5	0	0	0	107.6	M247 R248 I276 N278 F282 F601 Q605	M247-L571 HydrophobicContact CB-CD1 4.05Å; M247-L571 HydrophobicContact CE-CD1 4.06Å; M247-L571 HydrophobicContact CE-CD2 3.96Å; M247-L571 HydrophobicContact CE-CG 3.82Å; R248-L571 HydrophobicContact CB-CD1 4.31Å; I276-L571 HydrophobicContact CD1-CB 3.98Å; I276-L571 HydrophobicContact CD1-CD2 3.77Å; I276-L571 HydrophobicContact CG2-CB 4.34Å; N278-L571 PolarHBondContact ND2-O 3.19Å; N278-L571 PolarHBondContact OD1-N 3.27Å; F282-L571 HydrophobicContact CB-CD2 4.48Å; F282-L571 HydrophobicContact CD2-CD2 3.65Å; F282-L571 HydrophobicContact CE2-CD2 4.13Å; F282-L571 HydrophobicContact CG-CD2 4.19Å; L571-F601 WeakPolarHBondContact O-CE1 3.26Å; L571-Q605 PolarHBondContact O-NE2 3.48Å
572	N	91.4	Very high	88.5	Confident	70 Å²	70	39.7 Å²	39.7	37%	0.374	20%	0.204	S	C	.	.			trans	-106.1	136.2	174.5	-71	-16.4	0	0	0	109.6	P570 Q605	P570-N572 PolarHBondContact O-N 2.91Å; N572-Q605 PolarHBondContact OD1-NE2 2.9Å; N572-Q605 VanDerWaalsContact OD1-NE2 3.09Å
573	S	92.3	Very high	89	Confident	12 Å²	12	34.5 Å²	34.5	8%	0.084	18%	0.176	C	C	.	.			trans	-53.2	140.7	174.3	177.8	0	0	0	0	111.2	E257 F575 S602	E257-S573 VanDerWaalsContact CD-OG 3.24Å; E257-S573 WeakPolarHBondContact OE1-CA 3.34Å; E257-S573 WeakPolarHBondContact OE1-CB 3.48Å; E257-S573 PolarHBondContact OE1-OG 3.35Å; E257-S573 PolarHBondContact OE2-OG 2.92Å; S573-F575 VanDerWaalsContact OG-CB 3.29Å; S573-F575 WeakPolarHBondContact OG-CB 3.26Å; S573-F575 PolarHBondContact OG-N 2.89Å; S573-S602 WeakPolarHBondContact OG-CB 3.45Å; S573-S602 PolarHBondContact OG-N 3.06Å
574	Q	87.9	Confident	89.4	Confident	66 Å²	66	34.4 Å²	34.4	31%	0.308	18%	0.175	S	C	.	.			trans	-117.8	33.8	162.7	-59.7	-63.9	-86.8	0	0	110.3	R248 D249 R250 R576	R248-Q574 VanDerWaalsContact O-CG 3.24Å; R248-Q574 WeakPolarHBondContact O-CG 3.42Å; D249-Q574 WeakPolarHBondContact O-CB 3.44Å; R250-Q574 HydrophobicContact CG-CG 4.31Å; R250-Q574 VanDerWaalsContact CG-OE1 3.25Å; Q574-R576 PolarHBondContact O-N 3Å
575	F	89.1	Confident	89.7	Confident	9 Å²	9	34 Å²	34	4%	0.039	17%	0.173	C	C	.	.			trans	-54.1	136.6	176.2	-168.5	-85.3	0	0	0	110.6	V254 E257 S573 L577 M581 M596 L597 H861	V254-F575 HydrophobicContact CG2-CD2 4.01Å; V254-F575 HydrophobicContact CG2-CE2 4.14Å; V254-F575 HydrophobicContact CG2-CG 4.46Å; E257-F575 HydrophobicContact CB-CD2 4.14Å; S573-F575 VanDerWaalsContact OG-CB 3.29Å; S573-F575 WeakPolarHBondContact OG-CB 3.26Å; S573-F575 PolarHBondContact OG-N 2.89Å; F575-L577 HydrophobicContact CE1-CD2 4.17Å; F575-M581 HydrophobicContact CE1-CE 4.15Å; F575-M581 HydrophobicContact CE2-CE 4.44Å; F575-M581 HydrophobicContact CE2-SD 4.24Å; F575-M581 HydrophobicContact CZ-CE 3.71Å; F575-M581 HydrophobicContact CZ-SD 3.77Å; F575-M596 HydrophobicContact CE2-CG 4.03Å; F575-M596 HydrophobicContact CE2-SD 4.44Å; F575-M596 HydrophobicContact CZ-CG 3.83Å; F575-L597 HydrophobicContact CD1-CD2 4.38Å; F575-L597 HydrophobicContact CE1-CD2 3.61Å; F575-L597 HydrophobicContact CZ-CD2 4.3Å; F575-H861 PolarHBondContact O-NE2 2.81Å
576	R	89.3	Confident	90.1	Very high	110 Å²	110	31.3 Å²	31.3	42%	0.415	16%	0.161	S	C	.	.			trans	-150.5	145.3	178.6	61	179.6	-179.6	152.7	0.6	109.5	E251 V254 Q574 M581	E251-R576 PolarHBondContact O-NH2 3.44Å; V254-R576 HydrophobicContact CB-CG 4.38Å; V254-R576 HydrophobicContact CG1-CG 4.49Å; V254-R576 WeakPolarHBondContact CG2-O 3.42Å; Q574-R576 PolarHBondContact O-N 3Å; R576-M581 WeakPolarHBondContact O-CE 3.39Å
577	L	90.7	Very high	90.6	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	16%	0.163	C	C	.	.			trans	-75.2	135.4	175.6	-68.5	171.5	0	0	0	111.2	F575 M581 V582 L597 H861 E864 L865 R868	F575-L577 HydrophobicContact CE1-CD2 4.17Å; L577-M581 HydrophobicContact CD2-CE 3.78Å; L577-V582 HydrophobicContact CD2-CG2 4.36Å; L577-L597 HydrophobicContact CD2-CD2 3.94Å; L577-L597 HydrophobicContact CD2-CG 4.49Å; L577-L597 HydrophobicContact CG-CD2 4.4Å; L577-H861 HydrophobicContact CD1-CB 3.77Å; L577-H861 HydrophobicContact CG-CB 4.15Å; L577-E864 HydrophobicContact CD1-CB 4.08Å; L577-E864 HydrophobicContact CD1-CG 4.19Å; L577-L865 HydrophobicContact CD1-CB 3.65Å; L577-L865 HydrophobicContact CD1-CD1 4.5Å; L577-R868 PolarHBondContact O-NH1 2.94Å; L577-R868 PolarHBondContact O-NH2 2.85Å
578	T	91.1	Very high	90.8	Very high	32 Å²	32	28.6 Å²	28.6	20%	0.196	14%	0.143	C	C	.	.			trans	-119.6	155.5	170	65.3	0	0	0	0	108.6	M581 V582	T578-M581 WeakPolarHBondContact OG1-CB 3.31Å; T578-M581 PolarHBondContact OG1-N 3.05Å; T578-M581 VanDerWaalsContact OG1-N 3.13Å; T578-V582 WeakPolarHBondContact O-CG2 3.11Å; T578-V582 PolarHBondContact O-N 3.18Å
579	Y	94.4	Very high	90.6	Very high	26 Å²	26	36.7 Å²	36.7	10%	0.102	18%	0.179	C	C	.	.	H	α-helix	trans	-73.7	-34.9	178.8	-64.8	-76.7	0	0	0	110.8	M581 V582 L583 R868 V871 L872 E899 L900	Y579-M581 PolarHBondContact O-N 3.33Å; Y579-V582 PolarHBondContact O-N 2.77Å; Y579-L583 WeakPolarHBondContact O-CB 3.21Å; Y579-L583 VanDerWaalsContact O-CG 3.27Å; Y579-L583 WeakPolarHBondContact O-CG 3.46Å; Y579-L583 PolarHBondContact O-N 2.78Å; Y579-R868 HydrophobicContact CD1-CB 4.17Å; Y579-R868 HydrophobicContact CD1-CG 4.32Å; Y579-R868 HydrophobicContact CE1-CB 3.69Å; Y579-R868 HydrophobicContact CE1-CG 3.68Å; Y579-V871 HydrophobicContact CE1-CB 4.2Å; Y579-V871 HydrophobicContact CE1-CG1 4.33Å; Y579-L872 HydrophobicContact CD1-CD1 4.28Å; Y579-L872 HydrophobicContact CD1-CD2 3.76Å; Y579-L872 HydrophobicContact CD1-CG 3.92Å; Y579-L872 HydrophobicContact CE1-CD2 4.43Å; Y579-L872 HydrophobicContact CE1-CG 4.36Å; Y579-L872 HydrophobicContact CG-CD2 4.42Å; Y579-E899 WeakPolarHBondContact CA-OE1 3.39Å; Y579-E899 VanDerWaalsContact CB-OE1 3.26Å; Y579-E899 WeakPolarHBondContact CB-OE1 3.4Å; Y579-E899 PolarHBondContact N-OE1 3Å; Y579-L900 HydrophobicContact CD1-CD1 4.1Å; Y579-L900 HydrophobicContact CD2-CD1 3.51Å; Y579-L900 HydrophobicContact CD2-CG 3.87Å; Y579-L900 HydrophobicContact CE1-CD1 4.05Å; Y579-L900 HydrophobicContact CE2-CD1 3.46Å; Y579-L900 VanDerWaalsContact CE2-CD1 3.46Å; Y579-L900 HydrophobicContact CE2-CG 4.31Å; Y579-L900 HydrophobicContact CG-CD1 3.82Å; Y579-L900 HydrophobicContact CG-CD2 4.19Å; Y579-L900 HydrophobicContact CG-CG 4.04Å
580	N	93.4	Very high	90.3	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.048	20%	0.203	C	C	.	.	H	α-helix	trans	-57.4	-46	172.9	-177.4	-81.9	0	0	0	112	L583 N584 C892 I894 E899	N580-L583 PolarHBondContact O-N 2.98Å; N580-N584 PolarHBondContact ND2-ND2 2.67Å; N580-N584 WeakPolarHBondContact O-CB 3.43Å; N580-N584 PolarHBondContact O-N 2.73Å; N580-N584 PolarHBondContact O-ND2 2.8Å; N580-N584 PolarHBondContact OD1-ND2 3.08Å; N580-C892 PolarHBondContact ND2-O 2.8Å; N580-I894 PolarHBondContact ND2-O 2.9Å; N580-E899 HydrophobicContact CB-CG 4.31Å; N580-E899 PolarHBondContact N-OE1 3.16Å
581	M	92.5	Very high	89.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-50.7	173.5	170.6	174.6	43.4	0	0	111.2	V254 E258 F575 R576 L577 T578 Y579 L583 N584 L585 M596	V254-M581 HydrophobicContact CG2-CE 4.44Å; E258-M581 HydrophobicContact CG-SD 3.7Å; F575-M581 HydrophobicContact CE1-CE 4.15Å; F575-M581 HydrophobicContact CE2-CE 4.44Å; F575-M581 HydrophobicContact CE2-SD 4.24Å; F575-M581 HydrophobicContact CZ-CE 3.71Å; F575-M581 HydrophobicContact CZ-SD 3.77Å; R576-M581 WeakPolarHBondContact O-CE 3.39Å; L577-M581 HydrophobicContact CD2-CE 3.78Å; T578-M581 WeakPolarHBondContact OG1-CB 3.31Å; T578-M581 PolarHBondContact OG1-N 3.05Å; T578-M581 VanDerWaalsContact OG1-N 3.13Å; Y579-M581 PolarHBondContact O-N 3.33Å; M581-L583 VanDerWaalsContact C-N 3.3Å; M581-L583 PolarHBondContact O-N 3.45Å; M581-N584 PolarHBondContact O-N 2.67Å; M581-L585 HydrophobicContact CG-CD1 3.58Å; M581-L585 HydrophobicContact CG-CG 4.21Å; M581-L585 WeakPolarHBondContact O-CB 3.5Å; M581-L585 VanDerWaalsContact O-CG 3.27Å; M581-L585 WeakPolarHBondContact O-CG 3.28Å; M581-L585 PolarHBondContact O-N 3.32Å; M581-L585 HydrophobicContact SD-CD1 4.22Å; M581-M596 HydrophobicContact SD-CG 3.89Å
582	V	94.4	Very high	89.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-41.6	-178.4	174.7	0	0	0	0	111	L577 T578 Y579 L586 P593 L865 K869 L872	L577-V582 HydrophobicContact CD2-CG2 4.36Å; T578-V582 WeakPolarHBondContact O-CG2 3.11Å; T578-V582 PolarHBondContact O-N 3.18Å; Y579-V582 PolarHBondContact O-N 2.77Å; V582-L586 HydrophobicContact CG1-CD1 4.24Å; V582-L586 VanDerWaalsContact O-CG 3.27Å; V582-L586 WeakPolarHBondContact O-CG 3.23Å; V582-L586 PolarHBondContact O-N 2.79Å; V582-P593 HydrophobicContact CG1-CG 4.11Å; V582-L865 HydrophobicContact CG1-CD1 4.13Å; V582-L865 HydrophobicContact CG2-CD1 3.73Å; V582-K869 HydrophobicContact CG1-CG 4.47Å; V582-L872 HydrophobicContact CB-CD1 4.33Å; V582-L872 HydrophobicContact CG1-CD1 3.69Å
583	L	94.7	Very high	89.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.8	-43.7	178.5	-72.1	168.6	0	0	0	112.5	Y579 N580 M581 L585 L586 R587 L872 F877 I884 A891	Y579-L583 WeakPolarHBondContact O-CB 3.21Å; Y579-L583 VanDerWaalsContact O-CG 3.27Å; Y579-L583 WeakPolarHBondContact O-CG 3.46Å; Y579-L583 PolarHBondContact O-N 2.78Å; N580-L583 PolarHBondContact O-N 2.98Å; M581-L583 VanDerWaalsContact C-N 3.3Å; M581-L583 PolarHBondContact O-N 3.45Å; L583-L585 VanDerWaalsContact C-N 3.33Å; L583-L585 PolarHBondContact O-N 3.44Å; L583-L586 CarbonylContact O-C 3.55Å; L583-L586 PolarHBondContact O-N 3Å; L583-R587 WeakPolarHBondContact O-CB 3.48Å; L583-R587 PolarHBondContact O-N 3.38Å; L583-L872 HydrophobicContact CD1-CD2 4.11Å; L583-L872 HydrophobicContact CD2-CD1 3.97Å; L583-L872 HydrophobicContact CD2-CD2 4.08Å; L583-L872 HydrophobicContact CG-CD1 4.12Å; L583-L872 HydrophobicContact CG-CD2 4.15Å; L583-F877 HydrophobicContact CD1-CD1 4.12Å; L583-F877 HydrophobicContact CD2-CB 4.1Å; L583-I884 HydrophobicContact CD2-CD1 4.46Å; L583-I884 HydrophobicContact CD2-CG1 4.46Å; L583-A891 HydrophobicContact CD1-CB 3.74Å
584	N	92.8	Very high	89.3	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-37.2	175.4	-83.8	-51.9	0	0	0	112.1	Y227 N580 M581 R587 V588 C892	Y227-N584 HydrophobicContact CD1-CB 3.72Å; Y227-N584 HydrophobicContact CD2-CB 4.34Å; Y227-N584 HydrophobicContact CE1-CB 3.81Å; Y227-N584 HydrophobicContact CE2-CB 4.42Å; Y227-N584 HydrophobicContact CG-CB 4.01Å; N580-N584 PolarHBondContact ND2-ND2 2.67Å; N580-N584 WeakPolarHBondContact O-CB 3.43Å; N580-N584 PolarHBondContact O-N 2.73Å; N580-N584 PolarHBondContact O-ND2 2.8Å; N580-N584 PolarHBondContact OD1-ND2 3.08Å; M581-N584 PolarHBondContact O-N 2.67Å; N584-R587 WeakPolarHBondContact O-CB 3.31Å; N584-R587 PolarHBondContact O-N 3.07Å; N584-R587 VanDerWaalsContact O-N 3.1Å; N584-R587 VanDerWaalsContact OD1-CZ 3.23Å; N584-R587 PolarHBondContact OD1-NE 3.36Å; N584-R587 PolarHBondContact OD1-NH2 3.29Å; N584-V588 WeakPolarHBondContact O-CG2 3.28Å; N584-V588 PolarHBondContact O-N 3.49Å; N584-C892 PolarHBondContact ND2-O 3.15Å; N584-C892 WeakPolarHBondContact OD1-CB 3.32Å; N584-C892 PolarHBondContact OD1-SG 2.74Å
585	L	92	Very high	89.2	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-69.9	-30.2	173.2	-67.5	174.6	0	0	0	113	Y227 L262 M581 L583 R587 I591 P593 M596	Y227-L585 HydrophobicContact CE1-CD2 3.96Å; Y227-L585 HydrophobicContact CE1-CG 4.23Å; L262-L585 HydrophobicContact CD2-CD2 4.42Å; M581-L585 HydrophobicContact CG-CD1 3.58Å; M581-L585 HydrophobicContact CG-CG 4.21Å; M581-L585 WeakPolarHBondContact O-CB 3.5Å; M581-L585 VanDerWaalsContact O-CG 3.27Å; M581-L585 WeakPolarHBondContact O-CG 3.28Å; M581-L585 PolarHBondContact O-N 3.32Å; M581-L585 HydrophobicContact SD-CD1 4.22Å; L583-L585 VanDerWaalsContact C-N 3.33Å; L583-L585 PolarHBondContact O-N 3.44Å; L585-R587 VanDerWaalsContact C-N 3.27Å; L585-I591 HydrophobicContact CD2-CG2 3.73Å; L585-I591 VanDerWaalsContact O-O 3.05Å; L585-P593 HydrophobicContact CB-CG 3.97Å; L585-M596 HydrophobicContact CD1-CB 3.65Å; L585-M596 HydrophobicContact CD1-CE 4.13Å; L585-M596 HydrophobicContact CD1-CG 4.02Å; L585-M596 HydrophobicContact CD2-CE 4Å
586	L	92.2	Very high	89.3	Confident	24 Å²	24	40.9 Å²	40.9	13%	0.126	21%	0.207	C	C	.	.	H	α-helix	trans	-77.6	-9.2	169.1	-67.7	179.9	0	0	0	113.7	V582 L583 P593 C878 D882	V582-L586 HydrophobicContact CG1-CD1 4.24Å; V582-L586 VanDerWaalsContact O-CG 3.27Å; V582-L586 WeakPolarHBondContact O-CG 3.23Å; V582-L586 PolarHBondContact O-N 2.79Å; L583-L586 CarbonylContact O-C 3.55Å; L583-L586 PolarHBondContact O-N 3Å; L586-P593 HydrophobicContact CD2-CG 3.88Å; L586-P593 HydrophobicContact CG-CG 4Å; L586-C878 HydrophobicContact CD1-CB 4.3Å; L586-D882 HydrophobicContact CD1-CB 4.33Å; L586-D882 HydrophobicContact CD2-CB 3.87Å
587	R	90.9	Very high	89.3	Confident	60 Å²	60	35.7 Å²	35.7	23%	0.226	19%	0.188	C	C	.	.	H	α-helix	trans	-90.2	-32.2	177.4	-172	178.5	75	164.1	5.8	112.6	Y227 H228 L583 N584 L585 I884 E893	Y227-R587 PolarHBondContact O-NH2 2.94Å; Y227-R587 VanDerWaalsContact O-NH2 3.09Å; H228-R587 PolarHBondContact CD2-NH2 3.01Å; H228-R587 PolarHBondContact NE2-NH2 3.37Å; L583-R587 WeakPolarHBondContact O-CB 3.48Å; L583-R587 PolarHBondContact O-N 3.38Å; N584-R587 WeakPolarHBondContact O-CB 3.31Å; N584-R587 PolarHBondContact O-N 3.07Å; N584-R587 VanDerWaalsContact O-N 3.1Å; N584-R587 VanDerWaalsContact OD1-CZ 3.23Å; N584-R587 PolarHBondContact OD1-NE 3.36Å; N584-R587 PolarHBondContact OD1-NH2 3.29Å; L585-R587 VanDerWaalsContact C-N 3.27Å; R587-I884 HydrophobicContact CB-CD1 3.99Å; R587-I884 HydrophobicContact CG-CD1 4.43Å; R587-E893 IonicContact NH1-OE1 3.81Å; R587-E893 PolarHBondContact NH1-OE1 2.65Å
588	V	86.1	Confident	89.2	Confident	45 Å²	45	40.4 Å²	40.4	27%	0.273	21%	0.209	S	C	.	.	S	Bend	trans	-88.4	124	-176.1	176.8	0	0	0	0	110.6	N584 I591	N584-V588 WeakPolarHBondContact O-CG2 3.28Å; N584-V588 PolarHBondContact O-N 3.49Å; V588-I591 HydrophobicContact CG1-CB 4.43Å; V588-I591 HydrophobicContact CG1-CD1 4.02Å; V588-I591 HydrophobicContact CG1-CG1 4.11Å
589	E	79.5	Confident	89.2	Confident	193 Å²	193	42.3 Å²	42.3	90%	0.902	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	137.3	175.5	-66.7	-174.2	171	0	0	111.4	I591	E589-I591 VanDerWaalsContact C-N 3.34Å; E589-I591 PolarHBondContact O-N 3.02Å
590	G	78.4	Confident	89.1	Confident	73 Å²	73	41 Å²	41	75%	0.753	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.6	-6.9	177.7	0	0	0	0	0	115.8
591	I	82.2	Confident	89.1	Confident	38 Å²	38	40.6 Å²	40.6	20%	0.195	21%	0.206	C	C	.	.			trans	-118.9	141.2	172.9	-47.2	-177.6	0	0	0	108.4	L262 L585 V588 E589 Y595	L262-I591 HydrophobicContact CD2-CD1 3.81Å; L585-I591 HydrophobicContact CD2-CG2 3.73Å; L585-I591 VanDerWaalsContact O-O 3.05Å; V588-I591 HydrophobicContact CG1-CB 4.43Å; V588-I591 HydrophobicContact CG1-CD1 4.02Å; V588-I591 HydrophobicContact CG1-CG1 4.11Å; E589-I591 VanDerWaalsContact C-N 3.34Å; E589-I591 PolarHBondContact O-N 3.02Å; I591-Y595 HydrophobicContact CG2-CD1 3.78Å; I591-Y595 HydrophobicContact CG2-CE1 4.35Å; I591-Y595 HydrophobicContact CG2-CG 4.17Å
592	H	84.5	Confident	88.9	Confident	115 Å²	115	41.7 Å²	41.7	53%	0.532	21%	0.213	S	C	.	.			trans	-125.3	155.5	176.3	-66.5	-43.9	0	0	0	110.7	E594 Y595 M596	H592-E594 PolarHBondContact O-N 3.39Å; H592-E594 VanDerWaalsContact O-N 3.15Å; H592-Y595 VanDerWaalsContact O-CB 3.27Å; H592-Y595 WeakPolarHBondContact O-CB 3.47Å; H592-Y595 PolarHBondContact O-N 3.1Å; H592-M596 PolarHBondContact O-N 3.38Å
593	P	88.4	Confident	88.7	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-52.4	-34.8	173.7	-27.8	35.5	0	0	0	113.6	V582 L585 L586 M596 L597 L865	V582-P593 HydrophobicContact CG1-CG 4.11Å; L585-P593 HydrophobicContact CB-CG 3.97Å; L586-P593 HydrophobicContact CD2-CG 3.88Å; L586-P593 HydrophobicContact CG-CG 4Å; P593-M596 PolarHBondContact O-N 3.01Å; P593-L597 PolarHBondContact O-N 3.18Å; P593-L865 HydrophobicContact CB-CD1 3.61Å; P593-L865 HydrophobicContact CB-CD2 3.78Å; P593-L865 HydrophobicContact CB-CG 4.34Å; P593-L865 HydrophobicContact CG-CD1 4.46Å
594	E	90.2	Very high	88.4	Confident	42 Å²	42	43.8 Å²	43.8	20%	0.196	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-42	174.1	-69.1	78.4	-178.7	0	0	112.8	H592 M596 L597 E598 M862 L865 K869	H592-E594 PolarHBondContact O-N 3.39Å; H592-E594 VanDerWaalsContact O-N 3.15Å; E594-M596 VanDerWaalsContact C-N 3.27Å; E594-M596 PolarHBondContact O-N 3.5Å; E594-L597 PolarHBondContact O-N 3.44Å; E594-L597 VanDerWaalsContact O-N 3.15Å; E594-E598 WeakPolarHBondContact O-CG 3.39Å; E594-E598 PolarHBondContact O-N 3.28Å; E594-M862 HydrophobicContact CB-CE 4.48Å; E594-M862 HydrophobicContact CG-CE 3.96Å; E594-M862 HydrophobicContact CG-SD 4.28Å; E594-L865 HydrophobicContact CG-CD2 4.02Å; E594-K869 VanDerWaalsContact CD-NZ 3.28Å; E594-K869 IonicContact OE1-NZ 3.59Å; E594-K869 PolarHBondContact OE1-NZ 3.48Å; E594-K869 IonicContact OE2-NZ 2.68Å; E594-K869 PolarHBondContact OE2-NZ 3.5Å; E594-K869 VanDerWaalsContact OE2-NZ 3.07Å
595	Y	87.3	Confident	88.2	Confident	76 Å²	76	45 Å²	45	30%	0.298	23%	0.228	S	C	.	.	H	α-helix	trans	-58.1	-38.9	176.9	174.3	-78.7	0	0	0	112.2	I261 I591 H592 R599	I261-Y595 HydrophobicContact CG2-CE1 4.15Å; I591-Y595 HydrophobicContact CG2-CD1 3.78Å; I591-Y595 HydrophobicContact CG2-CE1 4.35Å; I591-Y595 HydrophobicContact CG2-CG 4.17Å; H592-Y595 VanDerWaalsContact O-CB 3.27Å; H592-Y595 WeakPolarHBondContact O-CB 3.47Å; H592-Y595 PolarHBondContact O-N 3.1Å; Y595-R599 VanDerWaalsContact CD2-NH1 3.27Å; Y595-R599 VanDerWaalsContact CE1-CD 3.46Å; Y595-R599 VanDerWaalsContact CZ-CD 3.49Å; Y595-R599 VanDerWaalsContact CZ-NE 3.26Å; Y595-R599 WeakPolarHBondContact O-CB 3.18Å; Y595-R599 PolarHBondContact O-N 3.23Å; Y595-R599 PolarHBondContact OH-NE 2.87Å
596	M	90	Very high	87.7	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-69.3	-40.8	178	-176.9	68.4	73.4	0	0	111.5	E258 I261 L262 F575 M581 L585 H592 P593 E594 R599 S600	E258-M596 HydrophobicContact CB-CE 4.45Å; E258-M596 HydrophobicContact CG-CE 4.3Å; E258-M596 HydrophobicContact CG-SD 4.43Å; I261-M596 HydrophobicContact CB-CE 4.44Å; I261-M596 HydrophobicContact CB-SD 3.75Å; I261-M596 HydrophobicContact CD1-SD 3.55Å; I261-M596 VanDerWaalsContact CD1-SD 3.55Å; I261-M596 HydrophobicContact CG1-SD 4.26Å; I261-M596 HydrophobicContact CG2-CE 4.23Å; I261-M596 HydrophobicContact CG2-SD 3.6Å; I261-M596 VanDerWaalsContact CG2-SD 3.6Å; L262-M596 HydrophobicContact CD1-CE 4.23Å; L262-M596 HydrophobicContact CD2-CE 4.01Å; L262-M596 HydrophobicContact CG-CE 3.89Å; F575-M596 HydrophobicContact CE2-CG 4.03Å; F575-M596 HydrophobicContact CE2-SD 4.44Å; F575-M596 HydrophobicContact CZ-CG 3.83Å; M581-M596 HydrophobicContact SD-CG 3.89Å; L585-M596 HydrophobicContact CD1-CB 3.65Å; L585-M596 HydrophobicContact CD1-CE 4.13Å; L585-M596 HydrophobicContact CD1-CG 4.02Å; L585-M596 HydrophobicContact CD2-CE 4Å; H592-M596 PolarHBondContact O-N 3.38Å; P593-M596 PolarHBondContact O-N 3.01Å; E594-M596 VanDerWaalsContact C-N 3.27Å; E594-M596 PolarHBondContact O-N 3.5Å; M596-R599 PolarHBondContact O-N 3.26Å; M596-S600 PolarHBondContact O-N 3.07Å
597	L	89.9	Confident	87.2	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-48.3	177.6	-73.3	-178.5	0	0	0	112.2	F575 L577 P593 E594 R599 S600 Q603 H861 M862 L865	F575-L597 HydrophobicContact CD1-CD2 4.38Å; F575-L597 HydrophobicContact CE1-CD2 3.61Å; F575-L597 HydrophobicContact CZ-CD2 4.3Å; L577-L597 HydrophobicContact CD2-CD2 3.94Å; L577-L597 HydrophobicContact CD2-CG 4.49Å; L577-L597 HydrophobicContact CG-CD2 4.4Å; P593-L597 PolarHBondContact O-N 3.18Å; E594-L597 PolarHBondContact O-N 3.44Å; E594-L597 VanDerWaalsContact O-N 3.15Å; L597-R599 PolarHBondContact O-N 2.99Å; L597-S600 WeakPolarHBondContact O-CB 3.41Å; L597-S600 PolarHBondContact O-N 2.83Å; L597-S600 VanDerWaalsContact O-N 3.15Å; L597-S600 PolarHBondContact O-OG 3.24Å; L597-Q603 WeakPolarHBondContact O-CB 3.47Å; L597-H861 HydrophobicContact CD2-CB 3.91Å; L597-M862 HydrophobicContact CD1-CE 4.25Å; L597-L865 HydrophobicContact CD1-CB 4.01Å; L597-L865 HydrophobicContact CD1-CD2 3.62Å; L597-L865 HydrophobicContact CD1-CG 4.43Å
598	E	87.8	Confident	86.8	Confident	104 Å²	104	45.3 Å²	45.3	49%	0.486	24%	0.236	S	C	.	.	H	α-helix	trans	-57.2	-35.8	178.5	-72.1	169.4	-172.6	0	0	112.7	E594 L859	E594-E598 WeakPolarHBondContact O-CG 3.39Å; E594-E598 PolarHBondContact O-N 3.28Å; E598-L859 HydrophobicContact CB-CD2 4.49Å; E598-L859 HydrophobicContact CG-CD1 4.23Å; E598-L859 HydrophobicContact CG-CD2 3.86Å
599	R	90.7	Very high	86.3	Confident	72 Å²	72	47.3 Å²	47.3	27%	0.272	25%	0.245	S	C	.	.	H	α-helix	trans	-94.1	-3.2	-179.3	-76.6	170.1	-179.5	72	-3	114.5	I261 W285 L289 Y595 M596 L597	I261-R599 HydrophobicContact CD1-CB 4.48Å; I261-R599 HydrophobicContact CG1-CB 4.38Å; I261-R599 HydrophobicContact CG2-CB 3.91Å; W285-R599 PolarHBondContact NE1-O 3.4Å; L289-R599 HydrophobicContact CD1-CB 3.81Å; L289-R599 HydrophobicContact CD1-CG 3.81Å; Y595-R599 VanDerWaalsContact CD2-NH1 3.27Å; Y595-R599 VanDerWaalsContact CE1-CD 3.46Å; Y595-R599 VanDerWaalsContact CZ-CD 3.49Å; Y595-R599 VanDerWaalsContact CZ-NE 3.26Å; Y595-R599 WeakPolarHBondContact O-CB 3.18Å; Y595-R599 PolarHBondContact O-N 3.23Å; Y595-R599 PolarHBondContact OH-NE 2.87Å; M596-R599 PolarHBondContact O-N 3.26Å; L597-R599 PolarHBondContact O-N 2.99Å
600	S	92.9	Very high	86.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.			trans	-60.7	146.8	179.7	67.7	0	0	0	0	111.9	M596 L597 S602 Q603 F604	M596-S600 PolarHBondContact O-N 3.07Å; L597-S600 WeakPolarHBondContact O-CB 3.41Å; L597-S600 PolarHBondContact O-N 2.83Å; L597-S600 VanDerWaalsContact O-N 3.15Å; L597-S600 PolarHBondContact O-OG 3.24Å; S600-S602 PolarHBondContact O-N 2.86Å; S600-Q603 PolarHBondContact O-N 3.16Å; S600-Q603 VanDerWaalsContact OG-CB 3.29Å; S600-Q603 WeakPolarHBondContact OG-CB 3.36Å; S600-Q603 PolarHBondContact OG-N 3.45Å; S600-Q603 VanDerWaalsContact OG-N 3.09Å; S600-F604 PolarHBondContact O-N 3.13Å; S600-F604 VanDerWaalsContact O-N 3.08Å
601	F	93.4	Very high	86.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-31.7	175.2	-174.4	-126.2	0	0	0	110.2	M247 E257 Q281 F282 W285 L571 Q603 F604 Q605	M247-F601 HydrophobicContact CE-CB 4.44Å; M247-F601 HydrophobicContact CE-CD1 3.3Å; M247-F601 HydrophobicContact CE-CE1 3.66Å; M247-F601 HydrophobicContact CE-CG 4.03Å; E257-F601 HydrophobicContact CG-CB 4.27Å; E257-F601 WeakPolarHBondContact OE2-CB 3.28Å; E257-F601 PolarHBondContact OE2-N 3.39Å; Q281-F601 HydrophobicContact CG-CE2 4.14Å; Q281-F601 HydrophobicContact CG-CZ 4.17Å; F282-F601 HydrophobicContact CB-CZ 4.46Å; F282-F601 HydrophobicContact CD2-CZ 4.4Å; W285-F601 HydrophobicContact CB-CD2 3.68Å; W285-F601 HydrophobicContact CB-CE2 3.92Å; W285-F601 HydrophobicContact CD2-CB 3.93Å; W285-F601 AromaticContact CD2-CD2 3.62Å; W285-F601 HydrophobicContact CD2-CD2 3.62Å; W285-F601 HydrophobicContact CD2-CG 4.12Å; W285-F601 HydrophobicContact CE3-CB 4.2Å; W285-F601 AromaticContact CE3-CD2 3.87Å; W285-F601 HydrophobicContact CE3-CD2 3.87Å; W285-F601 HydrophobicContact CE3-CG 4.2Å; W285-F601 HydrophobicContact CG-CB 4.46Å; W285-F601 AromaticContact CG-CD2 3.54Å; W285-F601 HydrophobicContact CG-CD2 3.54Å; W285-F601 HydrophobicContact CG-CE2 4.28Å; W285-F601 HydrophobicContact CG-CG 4.43Å; W285-F601 HydrophobicContact CH2-CB 4.25Å; W285-F601 HydrophobicContact CZ2-CB 3.98Å; W285-F601 HydrophobicContact CZ3-CB 4.36Å; L571-F601 WeakPolarHBondContact O-CE1 3.26Å; F601-Q603 PolarHBondContact O-N 3.04Å; F601-F604 HydrophobicContact CD2-CB 4.49Å; F601-F604 AromaticContact CD2-CD1 3.94Å; F601-F604 HydrophobicContact CD2-CD1 3.94Å; F601-F604 AromaticContact CE2-CD1 3.89Å; F601-F604 HydrophobicContact CE2-CD1 3.89Å; F601-F604 HydrophobicContact CE2-CE1 4.42Å; F601-F604 PolarHBondContact O-N 3.42Å; F601-Q605 HydrophobicContact CD1-CG 4.08Å; F601-Q605 HydrophobicContact CD2-CG 4.16Å; F601-Q605 VanDerWaalsContact CE1-CD 3.42Å; F601-Q605 HydrophobicContact CE1-CG 3.81Å; F601-Q605 HydrophobicContact CE2-CG 3.89Å; F601-Q605 HydrophobicContact CG-CG 4.26Å; F601-Q605 HydrophobicContact CZ-CG 3.71Å; F601-Q605 WeakPolarHBondContact O-CB 3.33Å; F601-Q605 VanDerWaalsContact O-CG 3.31Å; F601-Q605 WeakPolarHBondContact O-CG 3.44Å; F601-Q605 PolarHBondContact O-N 2.9Å
602	S	89.1	Confident	86.7	Confident	22 Å²	22	42 Å²	42	15%	0.154	20%	0.201	C	C	.	.	H	α-helix	trans	-52.3	-53.5	170.4	-173.1	0	0	0	0	112.6	S573 S600 F604 Q605 N606	S573-S602 WeakPolarHBondContact OG-CB 3.45Å; S573-S602 PolarHBondContact OG-N 3.06Å; S600-S602 PolarHBondContact O-N 2.86Å; S602-F604 VanDerWaalsContact C-N 3.33Å; S602-F604 PolarHBondContact O-N 2.89Å; S602-Q605 PolarHBondContact O-N 3.27Å; S602-N606 PolarHBondContact O-N 2.81Å
603	Q	88.8	Confident	86.6	Confident	20 Å²	20	37 Å²	37	9%	0.093	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-38.7	178.9	-176.5	60.4	19.9	0	0	111.8	L597 S600 F601 N606 S607 L859	L597-Q603 WeakPolarHBondContact O-CB 3.47Å; S600-Q603 PolarHBondContact O-N 3.16Å; S600-Q603 VanDerWaalsContact OG-CB 3.29Å; S600-Q603 WeakPolarHBondContact OG-CB 3.36Å; S600-Q603 PolarHBondContact OG-N 3.45Å; S600-Q603 VanDerWaalsContact OG-N 3.09Å; F601-Q603 PolarHBondContact O-N 3.04Å; Q603-N606 PolarHBondContact O-N 3.36Å; Q603-S607 WeakPolarHBondContact O-CB 3.26Å; Q603-S607 PolarHBondContact O-N 2.86Å; Q603-S607 PolarHBondContact O-OG 3.07Å; Q603-L859 HydrophobicContact CG-CD2 3.89Å
604	F	89.9	Confident	86.6	Confident	25 Å²	25	39.6 Å²	39.6	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-43.6	175.1	179.3	-99.3	0	0	0	112.8	Q281 E284 W285 L288 S600 F601 S602 N606 S607 I608	Q281-F604 HydrophobicContact CG-CD1 4.45Å; Q281-F604 HydrophobicContact CG-CE1 3.91Å; Q281-F604 VanDerWaalsContact O-CE1 3.23Å; Q281-F604 WeakPolarHBondContact O-CE1 3.49Å; E284-F604 HydrophobicContact CB-CE1 4.12Å; E284-F604 HydrophobicContact CB-CZ 3.55Å; W285-F604 HydrophobicContact CB-CD1 3.63Å; W285-F604 HydrophobicContact CB-CE1 3.86Å; W285-F604 HydrophobicContact CB-CG 4.01Å; W285-F604 HydrophobicContact CB-CZ 4.47Å; W285-F604 AromaticContact CD1-CG 3.96Å; W285-F604 HydrophobicContact CG-CB 4.44Å; W285-F604 HydrophobicContact CG-CD1 4.27Å; W285-F604 HydrophobicContact CG-CG 4.3Å; L288-F604 HydrophobicContact CD1-CD2 4.28Å; L288-F604 HydrophobicContact CD1-CE2 3.55Å; L288-F604 HydrophobicContact CD1-CZ 4.35Å; S600-F604 PolarHBondContact O-N 3.13Å; S600-F604 VanDerWaalsContact O-N 3.08Å; F601-F604 HydrophobicContact CD2-CB 4.49Å; F601-F604 AromaticContact CD2-CD1 3.94Å; F601-F604 HydrophobicContact CD2-CD1 3.94Å; F601-F604 AromaticContact CE2-CD1 3.89Å; F601-F604 HydrophobicContact CE2-CD1 3.89Å; F601-F604 HydrophobicContact CE2-CE1 4.42Å; F601-F604 PolarHBondContact O-N 3.42Å; S602-F604 VanDerWaalsContact C-N 3.33Å; S602-F604 PolarHBondContact O-N 2.89Å; F604-N606 VanDerWaalsContact C-N 3.3Å; F604-N606 PolarHBondContact O-N 3.26Å; F604-S607 PolarHBondContact O-N 3.46Å; F604-S607 PolarHBondContact O-OG 2.84Å; F604-I608 HydrophobicContact CD1-CD1 3.94Å; F604-I608 HydrophobicContact CE1-CD1 3.27Å; F604-I608 HydrophobicContact CE1-CG1 4.17Å; F604-I608 HydrophobicContact CE2-CD1 4.37Å; F604-I608 HydrophobicContact CE2-CG1 4.47Å; F604-I608 HydrophobicContact CZ-CD1 3.52Å; F604-I608 HydrophobicContact CZ-CG1 4.02Å; F604-I608 PolarHBondContact O-N 3.5Å; F604-I608 VanDerWaalsContact O-N 3.15Å
605	Q	88.1	Confident	86.6	Confident	30 Å²	30	44 Å²	44	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-35.4	176.1	-69.4	-163.5	-65.2	0	0	112	L571 N572 F601 S602	L571-Q605 PolarHBondContact O-NE2 3.48Å; N572-Q605 PolarHBondContact OD1-NE2 2.9Å; N572-Q605 VanDerWaalsContact OD1-NE2 3.09Å; F601-Q605 HydrophobicContact CD1-CG 4.08Å; F601-Q605 HydrophobicContact CD2-CG 4.16Å; F601-Q605 VanDerWaalsContact CE1-CD 3.42Å; F601-Q605 HydrophobicContact CE1-CG 3.81Å; F601-Q605 HydrophobicContact CE2-CG 3.89Å; F601-Q605 HydrophobicContact CG-CG 4.26Å; F601-Q605 HydrophobicContact CZ-CG 3.71Å; F601-Q605 WeakPolarHBondContact O-CB 3.33Å; F601-Q605 VanDerWaalsContact O-CG 3.31Å; F601-Q605 WeakPolarHBondContact O-CG 3.44Å; F601-Q605 PolarHBondContact O-N 2.9Å; S602-Q605 PolarHBondContact O-N 3.27Å
606	N	82.2	Confident	86.7	Confident	36 Å²	36	44.5 Å²	44.5	19%	0.193	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-47.8	173.7	-164.2	29.9	0	0	0	111.5	S602 Q603 F604 I608 N609	S602-N606 PolarHBondContact O-N 2.81Å; Q603-N606 PolarHBondContact O-N 3.36Å; F604-N606 VanDerWaalsContact C-N 3.3Å; F604-N606 PolarHBondContact O-N 3.26Å; N606-I608 VanDerWaalsContact C-N 3.26Å; N606-I608 PolarHBondContact O-N 2.88Å; N606-N609 PolarHBondContact O-N 3.44Å; N606-N609 VanDerWaalsContact O-N 3.12Å
607	S	81.9	Confident	86.8	Confident	27 Å²	27	45.2 Å²	45.2	19%	0.189	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-23.7	-177	76	0	0	0	0	114	Q603 F604 N609 L610 P611	Q603-S607 WeakPolarHBondContact O-CB 3.26Å; Q603-S607 PolarHBondContact O-N 2.86Å; Q603-S607 PolarHBondContact O-OG 3.07Å; F604-S607 PolarHBondContact O-N 3.46Å; F604-S607 PolarHBondContact O-OG 2.84Å; S607-N609 PolarHBondContact O-N 2.8Å; S607-L610 WeakPolarHBondContact O-CB 3.41Å; S607-L610 PolarHBondContact O-N 3.37Å; S607-P611 WeakPolarHBondContact O-CD 3.36Å
608	I	81.6	Confident	87	Confident	31 Å²	31	51.8 Å²	51.8	16%	0.159	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29	173.2	-82.9	169.2	0	0	0	113.4	Q281 F604 N606 L610 P611	Q281-I608 HydrophobicContact CG-CD1 3.57Å; Q281-I608 VanDerWaalsContact NE2-CD1 3.32Å; F604-I608 HydrophobicContact CD1-CD1 3.94Å; F604-I608 HydrophobicContact CE1-CD1 3.27Å; F604-I608 HydrophobicContact CE1-CG1 4.17Å; F604-I608 HydrophobicContact CE2-CD1 4.37Å; F604-I608 HydrophobicContact CE2-CG1 4.47Å; F604-I608 HydrophobicContact CZ-CD1 3.52Å; F604-I608 HydrophobicContact CZ-CG1 4.02Å; F604-I608 PolarHBondContact O-N 3.5Å; F604-I608 VanDerWaalsContact O-N 3.15Å; N606-I608 VanDerWaalsContact C-N 3.26Å; N606-I608 PolarHBondContact O-N 2.88Å; I608-L610 VanDerWaalsContact C-N 3.34Å; I608-P611 WeakPolarHBondContact O-CD 3.38Å
609	N	75.7	Confident	87.3	Confident	86 Å²	86	49.4 Å²	49.4	46%	0.46	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-16.3	176.2	-67.6	-45.6	0	0	0	112.7	N606 S607 K612 A613	N606-N609 PolarHBondContact O-N 3.44Å; N606-N609 VanDerWaalsContact O-N 3.12Å; S607-N609 PolarHBondContact O-N 2.8Å; N609-K612 PolarHBondContact O-N 2.95Å; N609-K612 VanDerWaalsContact O-N 3.14Å; N609-A613 PolarHBondContact O-N 3.45Å
610	L	81.8	Confident	87.4	Confident	26 Å²	26	46.8 Å²	46.8	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-56.4	-47.4	-175.4	-175.8	69.4	0	0	0	113.1	S607 I608 K612 A613 I614 L853 A856 Q857	S607-L610 WeakPolarHBondContact O-CB 3.41Å; S607-L610 PolarHBondContact O-N 3.37Å; I608-L610 VanDerWaalsContact C-N 3.34Å; L610-K612 VanDerWaalsContact C-N 3.32Å; L610-K612 PolarHBondContact O-N 3.46Å; L610-A613 PolarHBondContact O-N 3.46Å; L610-I614 HydrophobicContact CD1-CD1 4.37Å; L610-I614 HydrophobicContact CG-CD1 3.97Å; L610-I614 WeakPolarHBondContact O-CG1 3.43Å; L610-I614 PolarHBondContact O-N 3.15Å; L610-L853 HydrophobicContact CD1-CD1 3.46Å; L610-L853 VanDerWaalsContact CD1-CD1 3.46Å; L610-A856 HydrophobicContact CD1-CB 4.17Å; L610-Q857 HydrophobicContact CD1-CG 3.4Å
611	P	82.4	Confident	87.4	Confident	29 Å²	29	49.2 Å²	49.2	19%	0.188	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-37.6	178.2	-23.7	36.1	0	0	0	112.9	S607 I608 I614 E615	S607-P611 WeakPolarHBondContact O-CD 3.36Å; I608-P611 WeakPolarHBondContact O-CD 3.38Å; P611-I614 PolarHBondContact O-N 3.49Å; P611-E615 WeakPolarHBondContact O-CG 3.3Å; P611-E615 PolarHBondContact O-N 3.19Å
612	K	84.4	Confident	87.5	Confident	137 Å²	137	55.1 Å²	55.1	60%	0.596	28%	0.282	S	S	*	.	H	α-helix	trans	-68.3	-36.2	177.1	-65.4	178.4	-179	171.8	0	111.6	N609 L610 K616	N609-K612 PolarHBondContact O-N 2.95Å; N609-K612 VanDerWaalsContact O-N 3.14Å; L610-K612 VanDerWaalsContact C-N 3.32Å; L610-K612 PolarHBondContact O-N 3.46Å; K612-K616 WeakPolarHBondContact O-CB 3.41Å; K612-K616 PolarHBondContact O-N 2.7Å
613	A	83	Confident	87.7	Confident	10 Å²	10	60.3 Å²	60.3	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-66.4	-44.5	173.5	0	0	0	0	0	111.2	N609 L610 K616 V617 L853	N609-A613 PolarHBondContact O-N 3.45Å; L610-A613 PolarHBondContact O-N 3.46Å; A613-K616 PolarHBondContact O-N 3.16Å; A613-V617 WeakPolarHBondContact O-CG2 3.34Å; A613-V617 PolarHBondContact O-N 2.92Å; A613-L853 HydrophobicContact CB-CB 4.25Å; A613-L853 HydrophobicContact CB-CD1 4Å
614	I	88.2	Confident	87.8	Confident	56 Å²	56	61.6 Å²	61.6	29%	0.287	31%	0.306	S	S	.	.	H	α-helix	trans	-59.9	-48.4	175	-66.4	167.7	0	0	0	110.9	L610 P611 K616 V617 K618 L853	L610-I614 HydrophobicContact CD1-CD1 4.37Å; L610-I614 HydrophobicContact CG-CD1 3.97Å; L610-I614 WeakPolarHBondContact O-CG1 3.43Å; L610-I614 PolarHBondContact O-N 3.15Å; P611-I614 PolarHBondContact O-N 3.49Å; I614-K616 PolarHBondContact O-N 2.99Å; I614-V617 PolarHBondContact O-N 2.97Å; I614-K618 HydrophobicContact CG2-CD 4.03Å; I614-K618 HydrophobicContact CG2-CG 4.45Å; I614-K618 WeakPolarHBondContact O-CB 3.39Å; I614-K618 WeakPolarHBondContact O-CG 3.22Å; I614-K618 PolarHBondContact O-N 2.92Å; I614-L853 HydrophobicContact CG1-CD1 3.58Å; I614-L853 HydrophobicContact CG1-CD2 4.36Å
615	E	89.5	Confident	87.9	Confident	136 Å²	136	64.7 Å²	64.7	64%	0.636	32%	0.324	S	S	*	.	H	α-helix	trans	-60.8	-43.7	176.2	-76.5	178.8	174.5	0	0	112.2	P611 V617 K618 A619	P611-E615 WeakPolarHBondContact O-CG 3.3Å; P611-E615 PolarHBondContact O-N 3.19Å; E615-V617 PolarHBondContact O-N 2.65Å; E615-K618 PolarHBondContact O-N 3.43Å; E615-A619 VanDerWaalsContact O-CB 3.22Å; E615-A619 WeakPolarHBondContact O-CB 3.29Å; E615-A619 PolarHBondContact O-N 3.47Å
616	K	89.8	Confident	88.1	Confident	85 Å²	85	69.8 Å²	69.8	37%	0.37	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-44.2	176.3	179.7	-178.2	172.2	-173.1	0	111.6	K612 A613 I614 L620 A849 E852	K612-K616 WeakPolarHBondContact O-CB 3.41Å; K612-K616 PolarHBondContact O-N 2.7Å; A613-K616 PolarHBondContact O-N 3.16Å; I614-K616 PolarHBondContact O-N 2.99Å; K616-L620 HydrophobicContact CG-CD1 4.07Å; K616-L620 WeakPolarHBondContact O-CB 3.47Å; K616-L620 VanDerWaalsContact O-CG 3.29Å; K616-L620 WeakPolarHBondContact O-CG 3.39Å; K616-L620 PolarHBondContact O-N 3.47Å; K616-A849 HydrophobicContact CD-CB 4.18Å; K616-A849 HydrophobicContact CG-CB 4.13Å; K616-E852 IonicContact NZ-OE1 3.28Å; K616-E852 PolarHBondContact NZ-OE1 3.02Å; K616-E852 IonicContact NZ-OE2 2.59Å; K616-E852 PolarHBondContact NZ-OE2 3.23Å
617	V	92.1	Very high	88.4	Confident	17 Å²	17	70.3 Å²	70.3	10%	0.103	35%	0.354	C	S	.	.	H	α-helix	trans	-65.1	-49	176.1	170.9	0	0	0	0	110.7	A613 I614 E615 A619 L620 Q621 L846 A849 K850 L853	A613-V617 WeakPolarHBondContact O-CG2 3.34Å; A613-V617 PolarHBondContact O-N 2.92Å; I614-V617 PolarHBondContact O-N 2.97Å; E615-V617 PolarHBondContact O-N 2.65Å; V617-A619 PolarHBondContact O-N 3.39Å; V617-L620 PolarHBondContact O-N 2.91Å; V617-Q621 VanDerWaalsContact O-CB 3.26Å; V617-Q621 WeakPolarHBondContact O-CB 3.2Å; V617-Q621 PolarHBondContact O-N 3.48Å; V617-L846 HydrophobicContact CG1-CD1 4.32Å; V617-A849 HydrophobicContact CG2-CB 3.78Å; V617-A849 WeakPolarHBondContact CG2-O 3.34Å; V617-K850 HydrophobicContact CG1-CG 3.96Å; V617-K850 HydrophobicContact CG2-CG 4.21Å; V617-L853 HydrophobicContact CB-CD2 4.33Å; V617-L853 HydrophobicContact CG1-CD2 4.49Å; V617-L853 HydrophobicContact CG2-CB 4.17Å; V617-L853 HydrophobicContact CG2-CD2 4Å
618	K	93.5	Very high	88.6	Confident	139 Å²	139	77.4 Å²	77.4	60%	0.604	38%	0.381	S	S	*	.	H	α-helix	trans	-58.4	-44.9	177.4	-73.8	-179.8	178.1	-177.7	0	112	I614 E615 L620 Q621 L622	I614-K618 HydrophobicContact CG2-CD 4.03Å; I614-K618 HydrophobicContact CG2-CG 4.45Å; I614-K618 WeakPolarHBondContact O-CB 3.39Å; I614-K618 WeakPolarHBondContact O-CG 3.22Å; I614-K618 PolarHBondContact O-N 2.92Å; E615-K618 PolarHBondContact O-N 3.43Å; K618-L620 PolarHBondContact O-N 3.3Å; K618-Q621 PolarHBondContact O-N 3.12Å; K618-L622 WeakPolarHBondContact O-CG 3.33Å; K618-L622 PolarHBondContact O-N 3.08Å
619	A	93.7	Very high	88.8	Confident	53 Å²	53	76.7 Å²	76.7	44%	0.438	38%	0.378	S	S	.	.	H	α-helix	trans	-69.5	-30.3	179.9	0	0	0	0	0	113.8	E615 V617 K623	E615-A619 VanDerWaalsContact O-CB 3.22Å; E615-A619 WeakPolarHBondContact O-CB 3.29Å; E615-A619 PolarHBondContact O-N 3.47Å; V617-A619 PolarHBondContact O-N 3.39Å; A619-K623 WeakPolarHBondContact O-CG 3.39Å
620	L	94.2	Very high	89.2	Confident	18 Å²	18	75.4 Å²	75.4	9%	0.094	37%	0.374	C	S	.	.	H	α-helix	trans	-78.3	-40.5	172.8	-72.8	170.7	0	0	0	111.7	K616 V617 K618 K623 Y624 L842 R845 L846 A849	K616-L620 HydrophobicContact CG-CD1 4.07Å; K616-L620 WeakPolarHBondContact O-CB 3.47Å; K616-L620 VanDerWaalsContact O-CG 3.29Å; K616-L620 WeakPolarHBondContact O-CG 3.39Å; K616-L620 PolarHBondContact O-N 3.47Å; V617-L620 PolarHBondContact O-N 2.91Å; K618-L620 PolarHBondContact O-N 3.3Å; L620-K623 PolarHBondContact O-N 3.26Å; L620-Y624 PolarHBondContact O-N 2.96Å; L620-L842 HydrophobicContact CD2-CG 4.48Å; L620-L842 WeakPolarHBondContact O-CD2 3.41Å; L620-R845 HydrophobicContact CD1-CB 4.45Å; L620-L846 HydrophobicContact CB-CB 4.33Å; L620-L846 HydrophobicContact CB-CD1 3.86Å; L620-A849 HydrophobicContact CD1-CB 3.82Å
621	Q	93.4	Very high	89.2	Confident	51 Å²	51	77.9 Å²	77.9	24%	0.238	39%	0.388	C	S	.	.	H	α-helix	trans	-59.3	-49.7	177.5	-172.5	64.3	67.2	0	0	110.6	V617 K618 K623 Y624 D625 L846	V617-Q621 VanDerWaalsContact O-CB 3.26Å; V617-Q621 WeakPolarHBondContact O-CB 3.2Å; V617-Q621 PolarHBondContact O-N 3.48Å; K618-Q621 PolarHBondContact O-N 3.12Å; Q621-K623 VanDerWaalsContact C-N 3.26Å; Q621-K623 PolarHBondContact O-N 2.69Å; Q621-Y624 WeakPolarHBondContact O-CA 3.36Å; Q621-Y624 WeakPolarHBondContact O-CB 3.44Å; Q621-Y624 PolarHBondContact O-N 2.77Å; Q621-D625 WeakPolarHBondContact CG-OD2 3.4Å; Q621-D625 PolarHBondContact NE2-OD1 3.24Å; Q621-D625 PolarHBondContact NE2-OD2 2.91Å; Q621-D625 VanDerWaalsContact NE2-OD2 3.12Å; Q621-D625 PolarHBondContact O-N 2.75Å; Q621-D625 VanDerWaalsContact O-OD2 3.09Å; Q621-L846 HydrophobicContact CB-CD1 4.12Å
622	L	94.1	Very high	89.2	Confident	124 Å²	124	79.4 Å²	79.4	65%	0.649	39%	0.392	S	S	*	.	H	α-helix	trans	-55.3	-38.4	175.7	-74.1	168.6	0	0	0	113.4	K618 D626	K618-L622 WeakPolarHBondContact O-CG 3.33Å; K618-L622 PolarHBondContact O-N 3.08Å; L622-D626 WeakPolarHBondContact O-CB 3.13Å; L622-D626 PolarHBondContact O-N 2.8Å
623	K	92.8	Very high	89.2	Confident	131 Å²	131	77.6 Å²	77.6	57%	0.57	39%	0.389	S	S	*	.	H	α-helix	trans	-73.6	-30.1	176.6	-71.1	179.8	179.3	-171.1	0	113.2	A619 L620 Q621 M627 L842	A619-K623 WeakPolarHBondContact O-CG 3.39Å; L620-K623 PolarHBondContact O-N 3.26Å; Q621-K623 VanDerWaalsContact C-N 3.26Å; Q621-K623 PolarHBondContact O-N 2.69Å; K623-M627 WeakPolarHBondContact O-CB 3.23Å; K623-M627 PolarHBondContact O-N 2.83Å; K623-L842 HydrophobicContact CB-CD1 3.75Å; K623-L842 HydrophobicContact CB-CD2 4.22Å; K623-L842 HydrophobicContact CD-CD1 4.38Å
624	Y	92.3	Very high	89.3	Confident	46 Å²	46	81 Å²	81	18%	0.18	40%	0.403	C	S	.	.	H	α-helix	trans	-69.4	-43.5	175.5	-175.3	-103	0	0	0	111.2	L620 Q621 M627 K839 L842 E843 L846	L620-Y624 PolarHBondContact O-N 2.96Å; Q621-Y624 WeakPolarHBondContact O-CA 3.36Å; Q621-Y624 WeakPolarHBondContact O-CB 3.44Å; Q621-Y624 PolarHBondContact O-N 2.77Å; Y624-M627 PolarHBondContact O-N 3.35Å; Y624-K839 HydrophobicContact CD2-CG 4.08Å; Y624-K839 HydrophobicContact CE2-CD 4.39Å; Y624-K839 HydrophobicContact CE2-CG 3.81Å; Y624-L842 HydrophobicContact CD2-CD2 4.03Å; Y624-L842 HydrophobicContact CG-CD2 4.27Å; Y624-E843 HydrophobicContact CD2-CB 4.24Å; Y624-E843 HydrophobicContact CE2-CB 3.7Å; Y624-E843 HydrophobicContact CE2-CG 3.89Å; Y624-L846 HydrophobicContact CD1-CD2 4.41Å; Y624-L846 HydrophobicContact CG-CD2 4.14Å
625	D	90.8	Very high	89.3	Confident	91 Å²	91	78.3 Å²	78.3	49%	0.487	39%	0.39	S	S	.	.	H	α-helix	trans	-74.2	-31.1	-175.6	-56.8	-29.8	0	0	0	112.4	Q621	Q621-D625 WeakPolarHBondContact CG-OD2 3.4Å; Q621-D625 PolarHBondContact NE2-OD1 3.24Å; Q621-D625 PolarHBondContact NE2-OD2 2.91Å; Q621-D625 VanDerWaalsContact NE2-OD2 3.12Å; Q621-D625 PolarHBondContact O-N 2.75Å; Q621-D625 VanDerWaalsContact O-OD2 3.09Å
626	D	92.1	Very high	89.2	Confident	136 Å²	136	74.3 Å²	74.3	73%	0.727	38%	0.375	S	S	*	.	H	α-helix	trans	-73.6	-29.1	173.8	-169.1	55.3	0	0	0	112.8	L622 K628	L622-D626 WeakPolarHBondContact O-CB 3.13Å; L622-D626 PolarHBondContact O-N 2.8Å; D626-K628 PolarHBondContact O-N 3.34Å
627	M	88.6	Confident	89	Confident	47 Å²	47	72.9 Å²	72.9	23%	0.232	38%	0.375	C	S	.	.			trans	-77.6	93.4	-176.1	-172	170.7	-87.4	0	0	112.5	K623 Y624 E838 K839	K623-M627 WeakPolarHBondContact O-CB 3.23Å; K623-M627 PolarHBondContact O-N 2.83Å; Y624-M627 PolarHBondContact O-N 3.35Å; M627-E838 HydrophobicContact CE-CB 4.15Å; M627-E838 HydrophobicContact SD-CB 4.19Å; M627-K839 HydrophobicContact CG-CB 4.17Å; M627-K839 HydrophobicContact CG-CD 4.35Å; M627-K839 HydrophobicContact CG-CG 4.3Å; M627-K839 WeakPolarHBondContact O-CD 3.49Å; M627-K839 WeakPolarHBondContact O-CE 3.42Å; M627-K839 PolarHBondContact O-NZ 3.31Å; M627-K839 VanDerWaalsContact O-NZ 3.1Å; M627-K839 VanDerWaalsContact SD-CA 3.52Å; M627-K839 HydrophobicContact SD-CB 3.57Å; M627-K839 VanDerWaalsContact SD-CB 3.57Å; M627-K839 HydrophobicContact SD-CG 4.13Å
628	K	86.7	Confident	88.9	Confident	177 Å²	177	72.8 Å²	72.8	77%	0.77	37%	0.373	S	S	*	.			trans	-91.3	126.2	176.7	-60.9	-169.5	-179.1	-173.9	0	112.2	D626	D626-K628 PolarHBondContact O-N 3.34Å
629	V	86	Confident	88.6	Confident	16 Å²	16	66.3 Å²	66.3	10%	0.097	35%	0.345	C	S	.	.			trans	-116.6	127.8	-178.4	-178.6	0	0	0	0	109.5	E632 L635 K835 F836 K839	V629-E632 HydrophobicContact CB-CG 4.45Å; V629-L635 HydrophobicContact CG1-CD1 3.71Å; V629-K835 HydrophobicContact CG2-CB 4.2Å; V629-F836 HydrophobicContact CG1-CB 3.97Å; V629-F836 HydrophobicContact CG1-CD2 4.16Å; V629-K839 HydrophobicContact CG2-CB 4.25Å; V629-K839 HydrophobicContact CG2-CD 3.79Å
630	P	83.1	Confident	88.3	Confident	58 Å²	58	67.1 Å²	67.1	38%	0.377	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	144.1	172.6	-20	33.1	0	0	0	111.8	E632 L635	P630-E632 PolarHBondContact O-N 3.47Å; P630-L635 WeakPolarHBondContact O-CD1 3.25Å
631	N	82.2	Confident	88	Confident	79 Å²	79	67.2 Å²	67.2	42%	0.422	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	34.4	174	-52.4	-31.6	0	0	0	114.6	D633 E634 L635 V823	N631-D633 VanDerWaalsContact C-N 3.26Å; N631-D633 PolarHBondContact O-N 2.89Å; N631-D633 VanDerWaalsContact O-N 3.15Å; N631-E634 PolarHBondContact O-N 2.91Å; N631-L635 PolarHBondContact O-N 3.15Å; N631-V823 HydrophobicContact CB-CG2 4.3Å
632	E	83.5	Confident	87.9	Confident	60 Å²	60	68 Å²	68	28%	0.28	35%	0.349	S	S	.	.	H	α-helix	trans	-54.5	-35.8	-172.8	-162.9	169	166.3	0	0	113.8	V629 P630 T636 F836 K839	V629-E632 HydrophobicContact CB-CG 4.45Å; P630-E632 PolarHBondContact O-N 3.47Å; E632-T636 VanDerWaalsContact O-CB 3.31Å; E632-T636 WeakPolarHBondContact O-CB 3.48Å; E632-T636 PolarHBondContact O-N 3.41Å; E632-T636 PolarHBondContact O-OG1 3.35Å; E632-F836 HydrophobicContact CG-CD2 3.98Å; E632-F836 HydrophobicContact CG-CE2 3.66Å; E632-K839 WeakPolarHBondContact OE1-CD 3.48Å; E632-K839 VanDerWaalsContact OE1-CE 3.24Å; E632-K839 WeakPolarHBondContact OE1-CE 3.36Å; E632-K839 IonicContact OE1-NZ 2.69Å; E632-K839 PolarHBondContact OE1-NZ 2.92Å; E632-K839 IonicContact OE2-NZ 2.81Å; E632-K839 PolarHBondContact OE2-NZ 3.44Å
633	D	83.9	Confident	87.6	Confident	99 Å²	99	64.7 Å²	64.7	53%	0.529	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-44.3	174.1	-92.3	-52.1	0	0	0	113.5	K62 N631 T636 S637	K62-D633 VanDerWaalsContact CE-OD1 3.25Å; K62-D633 WeakPolarHBondContact CE-OD1 3.49Å; K62-D633 IonicContact NZ-OD1 3.73Å; K62-D633 PolarHBondContact NZ-OD1 3.18Å; K62-D633 IonicContact NZ-OD2 3.97Å; N631-D633 VanDerWaalsContact C-N 3.26Å; N631-D633 PolarHBondContact O-N 2.89Å; N631-D633 VanDerWaalsContact O-N 3.15Å; D633-T636 WeakPolarHBondContact O-CB 3.43Å; D633-T636 PolarHBondContact O-N 3.28Å; D633-S637 PolarHBondContact O-N 2.53Å; D633-S637 VanDerWaalsContact O-N 3.08Å; D633-S637 PolarHBondContact O-OG 3.27Å
634	E	85.3	Confident	87.4	Confident	82 Å²	82	61.6 Å²	61.6	38%	0.383	32%	0.323	S	S	.	.	H	α-helix	trans	-73.6	-38.5	179.9	-62.7	-166.6	-169.4	0	0	111.2	N631 T636 S637 Y638 V823	N631-E634 PolarHBondContact O-N 2.91Å; E634-T636 VanDerWaalsContact C-N 3.32Å; E634-S637 PolarHBondContact O-N 3.18Å; E634-Y638 WeakPolarHBondContact O-CB 3.29Å; E634-Y638 PolarHBondContact O-N 2.97Å; E634-V823 HydrophobicContact CB-CB 3.86Å; E634-V823 HydrophobicContact CB-CG1 4.36Å; E634-V823 HydrophobicContact CB-CG2 4.12Å; E634-V823 WeakPolarHBondContact OE2-CB 3.34Å; E634-V823 PolarHBondContact OE2-N 3.05Å
635	L	87.6	Confident	87.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.2	-36.3	172.8	-69.3	174	0	0	0	112	V629 P630 N631 Y638 C639 V823 F829 M833 F836	V629-L635 HydrophobicContact CG1-CD1 3.71Å; P630-L635 WeakPolarHBondContact O-CD1 3.25Å; N631-L635 PolarHBondContact O-N 3.15Å; L635-Y638 PolarHBondContact O-N 3.2Å; L635-C639 VanDerWaalsContact O-CB 3.32Å; L635-C639 WeakPolarHBondContact O-CB 3Å; L635-C639 PolarHBondContact O-N 3.44Å; L635-C639 PolarHBondContact O-SG 3.22Å; L635-V823 HydrophobicContact CD2-CG1 4.43Å; L635-V823 HydrophobicContact CD2-CG2 3.54Å; L635-V823 HydrophobicContact CG-CG2 3.86Å; L635-F829 HydrophobicContact CD2-CD2 4.24Å; L635-F829 HydrophobicContact CD2-CE2 4.02Å; L635-M833 HydrophobicContact CD2-SD 4.11Å; L635-F836 HydrophobicContact CB-CB 4.47Å; L635-F836 HydrophobicContact CB-CD1 3.88Å; L635-F836 HydrophobicContact CB-CD2 4.2Å; L635-F836 HydrophobicContact CB-CE1 4.13Å; L635-F836 HydrophobicContact CB-CE2 4.46Å; L635-F836 HydrophobicContact CB-CG 3.91Å; L635-F836 HydrophobicContact CB-CZ 4.43Å; L635-F836 HydrophobicContact CD1-CB 3.98Å; L635-F836 HydrophobicContact CD1-CG 4.24Å
636	T	87	Confident	87.2	Confident	52 Å²	52	59.1 Å²	59.1	32%	0.319	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-50.4	171.8	-61.7	0	0	0	0	110.6	E632 D633 E634 Y638 C639 V640 F836	E632-T636 VanDerWaalsContact O-CB 3.31Å; E632-T636 WeakPolarHBondContact O-CB 3.48Å; E632-T636 PolarHBondContact O-N 3.41Å; E632-T636 PolarHBondContact O-OG1 3.35Å; D633-T636 WeakPolarHBondContact O-CB 3.43Å; D633-T636 PolarHBondContact O-N 3.28Å; E634-T636 VanDerWaalsContact C-N 3.32Å; T636-Y638 PolarHBondContact O-N 2.97Å; T636-C639 PolarHBondContact O-N 3.26Å; T636-V640 WeakPolarHBondContact O-CG2 3.33Å; T636-V640 PolarHBondContact O-N 2.89Å; T636-F836 VanDerWaalsContact OG1-CZ 3.27Å; T636-F836 WeakPolarHBondContact OG1-CZ 3.46Å
637	S	86.6	Confident	87	Confident	55 Å²	55	57.2 Å²	57.2	39%	0.385	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-43.9	178.6	-58.1	0	0	0	0	111.9	D633 E634 C639 V640 V641	D633-S637 PolarHBondContact O-N 2.53Å; D633-S637 VanDerWaalsContact O-N 3.08Å; D633-S637 PolarHBondContact O-OG 3.27Å; E634-S637 PolarHBondContact O-N 3.18Å; S637-C639 PolarHBondContact O-N 3.41Å; S637-V640 PolarHBondContact O-N 2.86Å; S637-V641 WeakPolarHBondContact O-CG2 3.24Å; S637-V641 PolarHBondContact O-N 3.12Å; S637-V641 VanDerWaalsContact O-N 3.15Å
638	Y	89.4	Confident	87.1	Confident	14 Å²	14	55.9 Å²	55.9	6%	0.055	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-45	174.6	179.8	-91.5	0	0	0	112.1	E634 L635 T636 V641 K642 L818 M821 V823 R824 F829 M833	E634-Y638 WeakPolarHBondContact O-CB 3.29Å; E634-Y638 PolarHBondContact O-N 2.97Å; L635-Y638 PolarHBondContact O-N 3.2Å; T636-Y638 PolarHBondContact O-N 2.97Å; Y638-V641 PolarHBondContact O-N 3.47Å; Y638-K642 HydrophobicContact CE1-CD 4.28Å; Y638-K642 WeakPolarHBondContact O-CB 3.35Å; Y638-K642 PolarHBondContact O-N 3.03Å; Y638-L818 HydrophobicContact CD1-CD1 4.47Å; Y638-L818 HydrophobicContact CD2-CD1 3.46Å; Y638-L818 VanDerWaalsContact CD2-CD1 3.46Å; Y638-L818 HydrophobicContact CD2-CG 4.09Å; Y638-L818 HydrophobicContact CE1-CD1 4.43Å; Y638-L818 HydrophobicContact CE2-CD1 3.41Å; Y638-L818 VanDerWaalsContact CE2-CD1 3.41Å; Y638-L818 HydrophobicContact CE2-CD2 4.3Å; Y638-L818 HydrophobicContact CE2-CG 3.57Å; Y638-L818 HydrophobicContact CG-CD1 4Å; Y638-L818 WeakPolarHBondContact O-CD1 3.25Å; Y638-M821 HydrophobicContact CD2-SD 3.88Å; Y638-M821 HydrophobicContact CG-SD 4.46Å; Y638-V823 HydrophobicContact CD2-CG1 4.22Å; Y638-V823 HydrophobicContact CG-CG1 4.29Å; Y638-R824 HydrophobicContact CE2-CB 4.45Å; Y638-R824 PolarHBondContact OH-NH1 2.83Å; Y638-F829 HydrophobicContact CD1-CE2 4.37Å; Y638-F829 HydrophobicContact CD1-CZ 4.29Å; Y638-F829 HydrophobicContact CE1-CE2 4.21Å; Y638-F829 AromaticContact CE1-CZ 3.69Å; Y638-F829 HydrophobicContact CE1-CZ 3.69Å; Y638-F829 HydrophobicContact CE2-CZ 4.19Å; Y638-F829 AromaticContact CZ-CZ 3.63Å; Y638-M833 HydrophobicContact CD1-CE 4.12Å; Y638-M833 HydrophobicContact CD1-SD 3.91Å; Y638-M833 HydrophobicContact CE1-CE 4.03Å; Y638-M833 HydrophobicContact CE1-SD 4Å
639	C	86.8	Confident	87.2	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-38.3	176.8	-83.8	0	0	0	0	113.4	L635 T636 S637 K642 S643 M833 F836	L635-C639 VanDerWaalsContact O-CB 3.32Å; L635-C639 WeakPolarHBondContact O-CB 3Å; L635-C639 PolarHBondContact O-N 3.44Å; L635-C639 PolarHBondContact O-SG 3.22Å; T636-C639 PolarHBondContact O-N 3.26Å; S637-C639 PolarHBondContact O-N 3.41Å; C639-K642 PolarHBondContact O-N 2.94Å; C639-S643 WeakPolarHBondContact O-CB 3.4Å; C639-S643 PolarHBondContact O-N 2.88Å; C639-S643 PolarHBondContact O-OG 3.31Å; C639-M833 WeakPolarHBondContact SG-CE 3.4Å; C639-F836 HydrophobicContact CB-CE1 3.97Å; C639-F836 WeakPolarHBondContact SG-CE1 3.5Å
640	V	88	Confident	87.3	Confident	71 Å²	71	53.6 Å²	53.6	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-45.3	176.2	169.4	0	0	0	0	110.4	T636 S637 K644	T636-V640 WeakPolarHBondContact O-CG2 3.33Å; T636-V640 PolarHBondContact O-N 2.89Å; S637-V640 PolarHBondContact O-N 2.86Å; V640-K644 WeakPolarHBondContact O-CB 3.37Å; V640-K644 PolarHBondContact O-N 3.45Å
641	V	88.8	Confident	87.4	Confident	20 Å²	20	53.5 Å²	53.5	12%	0.121	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-44.9	176.7	179.5	0	0	0	0	111.2	S637 Y638 K644 I645 L814 L818	S637-V641 WeakPolarHBondContact O-CG2 3.24Å; S637-V641 PolarHBondContact O-N 3.12Å; S637-V641 VanDerWaalsContact O-N 3.15Å; Y638-V641 PolarHBondContact O-N 3.47Å; V641-K644 PolarHBondContact O-N 3.03Å; V641-I645 HydrophobicContact CG1-CD1 3.98Å; V641-I645 WeakPolarHBondContact O-CG1 3.18Å; V641-I645 PolarHBondContact O-N 3.21Å; V641-L814 HydrophobicContact CG1-CB 4.38Å; V641-L814 HydrophobicContact CG1-CD2 4.39Å; V641-L818 HydrophobicContact CB-CD1 3.89Å; V641-L818 HydrophobicContact CG1-CB 4.06Å; V641-L818 HydrophobicContact CG1-CD1 3.84Å
642	K	90	Very high	87.7	Confident	67 Å²	67	51.1 Å²	51.1	29%	0.291	27%	0.266	S	S	.	.	H	α-helix	trans	-55.9	-53.1	175.1	-179.9	-176.2	170.5	-171.9	0	111.3	Y638 C639 K644 I645 D646 L818 M833 E837	Y638-K642 HydrophobicContact CE1-CD 4.28Å; Y638-K642 WeakPolarHBondContact O-CB 3.35Å; Y638-K642 PolarHBondContact O-N 3.03Å; C639-K642 PolarHBondContact O-N 2.94Å; K642-K644 VanDerWaalsContact C-N 3.29Å; K642-K644 PolarHBondContact O-N 3.2Å; K642-I645 WeakPolarHBondContact O-CB 3.16Å; K642-I645 PolarHBondContact O-N 3.02Å; K642-I645 VanDerWaalsContact O-N 3.16Å; K642-D646 PolarHBondContact O-N 2.85Å; K642-L818 HydrophobicContact CB-CD1 4.26Å; K642-M833 HydrophobicContact CD-CE 4.25Å; K642-E837 IonicContact NZ-OE1 2.97Å; K642-E837 PolarHBondContact NZ-OE1 3.15Å
643	S	87.8	Confident	87.9	Confident	55 Å²	55	49.3 Å²	49.3	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-33.2	178.4	-66.5	0	0	0	0	112.9	C639 D646 E647	C639-S643 WeakPolarHBondContact O-CB 3.4Å; C639-S643 PolarHBondContact O-N 2.88Å; C639-S643 PolarHBondContact O-OG 3.31Å; S643-D646 PolarHBondContact O-N 2.7Å; S643-E647 WeakPolarHBondContact O-CB 3.4Å; S643-E647 PolarHBondContact O-N 3.11Å
644	K	90.2	Very high	88	Confident	66 Å²	66	52.6 Å²	52.6	29%	0.287	26%	0.264	S	S	.	.	H	α-helix	trans	-71.4	-36.8	175.3	-169.1	59.1	-177.4	-179.1	0	112.5	V640 V641 K642 D646 E647 L648 L814	V640-K644 WeakPolarHBondContact O-CB 3.37Å; V640-K644 PolarHBondContact O-N 3.45Å; V641-K644 PolarHBondContact O-N 3.03Å; K642-K644 VanDerWaalsContact C-N 3.29Å; K642-K644 PolarHBondContact O-N 3.2Å; K644-D646 VanDerWaalsContact C-N 3.34Å; K644-E647 WeakPolarHBondContact CD-OE2 3.47Å; K644-E647 IonicContact NZ-OE1 2.73Å; K644-E647 PolarHBondContact NZ-OE1 3.03Å; K644-E647 IonicContact NZ-OE2 3.22Å; K644-E647 PolarHBondContact NZ-OE2 3.5Å; K644-E647 PolarHBondContact O-N 2.96Å; K644-L648 HydrophobicContact CG-CD1 4.14Å; K644-L648 HydrophobicContact CG-CG 4.5Å; K644-L648 WeakPolarHBondContact O-CB 3.42Å; K644-L648 VanDerWaalsContact O-CG 3.22Å; K644-L648 WeakPolarHBondContact O-CG 3.44Å; K644-L648 PolarHBondContact O-N 3.19Å; K644-L814 HydrophobicContact CG-CD1 4.35Å
645	I	89.9	Confident	88.1	Confident	6 Å²	6	50 Å²	50	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-44.6	171.2	-70.1	159	0	0	0	110.4	V641 K642 L648 K649 V811 L814 E815 L818	V641-I645 HydrophobicContact CG1-CD1 3.98Å; V641-I645 WeakPolarHBondContact O-CG1 3.18Å; V641-I645 PolarHBondContact O-N 3.21Å; K642-I645 WeakPolarHBondContact O-CB 3.16Å; K642-I645 PolarHBondContact O-N 3.02Å; K642-I645 VanDerWaalsContact O-N 3.16Å; I645-L648 PolarHBondContact O-N 3.39Å; I645-K649 HydrophobicContact CG2-CD 3.9Å; I645-K649 HydrophobicContact CG2-CG 4.4Å; I645-K649 WeakPolarHBondContact O-CB 3.32Å; I645-K649 VanDerWaalsContact O-CG 3.31Å; I645-K649 WeakPolarHBondContact O-CG 3.42Å; I645-K649 PolarHBondContact O-N 2.85Å; I645-V811 HydrophobicContact CG2-CG1 4.26Å; I645-L814 HydrophobicContact CD1-CB 3.91Å; I645-L814 HydrophobicContact CG1-CB 3.64Å; I645-L814 HydrophobicContact CG1-CD1 4.28Å; I645-E815 HydrophobicContact CD1-CG 4.02Å; I645-E815 HydrophobicContact CG1-CG 4.48Å; I645-E815 HydrophobicContact CG2-CG 4.26Å; I645-L818 HydrophobicContact CD1-CB 4.16Å; I645-L818 HydrophobicContact CD1-CD2 3.89Å; I645-L818 HydrophobicContact CD1-CG 4.49Å
646	D	87.6	Confident	88.1	Confident	79 Å²	79	51.2 Å²	51.2	42%	0.422	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-42	179.1	-65.3	-33.1	0	0	0	112.1	K642 S643 K644 K649 M650	K642-D646 PolarHBondContact O-N 2.85Å; S643-D646 PolarHBondContact O-N 2.7Å; K644-D646 VanDerWaalsContact C-N 3.34Å; D646-K649 PolarHBondContact O-N 2.96Å; D646-M650 WeakPolarHBondContact O-CG 3.1Å; D646-M650 PolarHBondContact O-N 3.08Å
647	E	89	Confident	88.1	Confident	95 Å²	95	49.7 Å²	49.7	44%	0.444	25%	0.25	S	S	.	.	H	α-helix	trans	-58.5	-51.9	173.5	-172.2	-163.7	148.9	0	0	111.7	S643 K644 K649 M650 D651	S643-E647 WeakPolarHBondContact O-CB 3.4Å; S643-E647 PolarHBondContact O-N 3.11Å; K644-E647 WeakPolarHBondContact CD-OE2 3.47Å; K644-E647 IonicContact NZ-OE1 2.73Å; K644-E647 PolarHBondContact NZ-OE1 3.03Å; K644-E647 IonicContact NZ-OE2 3.22Å; K644-E647 PolarHBondContact NZ-OE2 3.5Å; K644-E647 PolarHBondContact O-N 2.96Å; E647-K649 VanDerWaalsContact C-N 3.34Å; E647-K649 PolarHBondContact O-N 2.84Å; E647-M650 WeakPolarHBondContact O-CB 3.27Å; E647-M650 PolarHBondContact O-N 3.4Å; E647-M650 VanDerWaalsContact O-N 3.1Å; E647-D651 PolarHBondContact O-N 2.99Å
648	L	90.5	Very high	88.1	Confident	20 Å²	20	51.3 Å²	51.3	11%	0.105	25%	0.25	C	S	.	.	H	α-helix	trans	-64.6	-36.9	-179.7	-66.5	168.8	0	0	0	111.9	K644 I645 M650 D651 M652 T807 Y810 V811 L814	K644-L648 HydrophobicContact CG-CD1 4.14Å; K644-L648 HydrophobicContact CG-CG 4.5Å; K644-L648 WeakPolarHBondContact O-CB 3.42Å; K644-L648 VanDerWaalsContact O-CG 3.22Å; K644-L648 WeakPolarHBondContact O-CG 3.44Å; K644-L648 PolarHBondContact O-N 3.19Å; I645-L648 PolarHBondContact O-N 3.39Å; L648-M650 VanDerWaalsContact C-N 3.33Å; L648-M650 PolarHBondContact O-N 3.5Å; L648-D651 PolarHBondContact O-N 2.93Å; L648-M652 WeakPolarHBondContact O-CG 3.48Å; L648-M652 PolarHBondContact O-N 2.81Å; L648-T807 HydrophobicContact CB-CG2 4.24Å; L648-T807 HydrophobicContact CD2-CG2 4.15Å; L648-Y810 HydrophobicContact CD1-CD1 3.66Å; L648-Y810 HydrophobicContact CD1-CE1 4Å; L648-V811 HydrophobicContact CB-CG2 3.59Å; L648-V811 HydrophobicContact CD1-CG2 4.08Å; L648-V811 HydrophobicContact CG-CG2 4.5Å; L648-L814 HydrophobicContact CD1-CD1 3.74Å
649	K	89.2	Confident	88.1	Confident	81 Å²	81	52.7 Å²	52.7	35%	0.352	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-35.2	172.7	-77.7	178	178.3	177.5	0	112.4	I645 D646 E647 L653 V811 E815	I645-K649 HydrophobicContact CG2-CD 3.9Å; I645-K649 HydrophobicContact CG2-CG 4.4Å; I645-K649 WeakPolarHBondContact O-CB 3.32Å; I645-K649 VanDerWaalsContact O-CG 3.31Å; I645-K649 WeakPolarHBondContact O-CG 3.42Å; I645-K649 PolarHBondContact O-N 2.85Å; D646-K649 PolarHBondContact O-N 2.96Å; E647-K649 VanDerWaalsContact C-N 3.34Å; E647-K649 PolarHBondContact O-N 2.84Å; K649-L653 WeakPolarHBondContact O-CB 3.28Å; K649-L653 PolarHBondContact O-N 2.86Å; K649-V811 HydrophobicContact CG-CG1 4.34Å; K649-E815 WeakPolarHBondContact CE-OE1 3.19Å; K649-E815 IonicContact NZ-OE1 2.76Å; K649-E815 PolarHBondContact NZ-OE1 3.27Å
650	M	86.4	Confident	88.1	Confident	63 Å²	63	58.5 Å²	58.5	31%	0.31	29%	0.29	S	S	.	.	H	α-helix	trans	-67.5	-37.3	172.1	-71.2	-63.5	94.8	0	0	112.5	D646 E647 L648 L653 R654 Y748	D646-M650 WeakPolarHBondContact O-CG 3.1Å; D646-M650 PolarHBondContact O-N 3.08Å; E647-M650 WeakPolarHBondContact O-CB 3.27Å; E647-M650 PolarHBondContact O-N 3.4Å; E647-M650 VanDerWaalsContact O-N 3.1Å; L648-M650 VanDerWaalsContact C-N 3.33Å; L648-M650 PolarHBondContact O-N 3.5Å; M650-L653 HydrophobicContact CE-CB 4.4Å; M650-L653 HydrophobicContact CE-CD2 3.73Å; M650-L653 WeakPolarHBondContact O-CB 3.16Å; M650-L653 PolarHBondContact O-N 3.47Å; M650-L653 HydrophobicContact SD-CD2 4.23Å; M650-R654 WeakPolarHBondContact O-CG 3.48Å; M650-R654 PolarHBondContact O-N 3.24Å; M650-Y748 HydrophobicContact CE-CD1 4.06Å; M650-Y748 HydrophobicContact CE-CE1 3.6Å; M650-Y748 HydrophobicContact SD-CE1 3.76Å
651	D	86.7	Confident	88.1	Confident	57 Å²	57	56.8 Å²	56.8	31%	0.305	28%	0.276	S	S	.	.	H	α-helix	trans	-69	-40.7	173.8	-77	-31.1	0	0	0	112.5	E647 L648 L653 R654 V655	E647-D651 PolarHBondContact O-N 2.99Å; L648-D651 PolarHBondContact O-N 2.93Å; D651-L653 VanDerWaalsContact C-N 3.29Å; D651-L653 PolarHBondContact O-N 3.29Å; D651-R654 WeakPolarHBondContact O-CB 3.45Å; D651-R654 PolarHBondContact O-N 3.44Å; D651-R654 WeakPolarHBondContact OD1-CD 3.38Å; D651-R654 IonicContact OD1-CZ 3.68Å; D651-R654 IonicContact OD1-NE 3.38Å; D651-R654 IonicContact OD1-NH1 2.84Å; D651-R654 PolarHBondContact OD1-NH1 2.89Å; D651-V655 PolarHBondContact O-N 2.96Å; D651-V655 VanDerWaalsContact O-N 3.09Å
652	M	88.6	Confident	88.2	Confident	28 Å²	28	55.9 Å²	55.9	14%	0.138	27%	0.27	C	S	.	.	H	α-helix	trans	-57.5	-42.3	169.1	-71	176.4	69.2	0	0	111.5	L648 R654 V655 L656 F804 T807 A808 V811	L648-M652 WeakPolarHBondContact O-CG 3.48Å; L648-M652 PolarHBondContact O-N 2.81Å; M652-R654 PolarHBondContact O-N 2.98Å; M652-V655 PolarHBondContact O-N 2.74Å; M652-L656 WeakPolarHBondContact O-CB 3.44Å; M652-L656 WeakPolarHBondContact O-CG 3.49Å; M652-L656 PolarHBondContact O-N 2.68Å; M652-F804 HydrophobicContact CB-CD2 4.48Å; M652-F804 HydrophobicContact CB-CE2 3.72Å; M652-F804 HydrophobicContact CB-CZ 4.29Å; M652-F804 HydrophobicContact CE-CE1 4.06Å; M652-F804 HydrophobicContact CE-CE2 4.06Å; M652-F804 HydrophobicContact CE-CZ 3.54Å; M652-F804 HydrophobicContact CG-CD2 4.36Å; M652-F804 HydrophobicContact CG-CE2 3.9Å; M652-F804 HydrophobicContact CG-CZ 4.36Å; M652-T807 HydrophobicContact CG-CG2 3.66Å; M652-T807 HydrophobicContact SD-CG2 4.05Å; M652-A808 HydrophobicContact CE-CB 3.62Å; M652-A808 HydrophobicContact SD-CB 4.38Å; M652-V811 HydrophobicContact SD-CG2 4.02Å
653	L	87.2	Confident	88.2	Confident	23 Å²	23	54 Å²	54	12%	0.12	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-37.9	176.7	-172.9	69.5	0	0	0	112.3	K649 M650 D651 V655 L656 T657 V747 Y748	K649-L653 WeakPolarHBondContact O-CB 3.28Å; K649-L653 PolarHBondContact O-N 2.86Å; M650-L653 HydrophobicContact CE-CB 4.4Å; M650-L653 HydrophobicContact CE-CD2 3.73Å; M650-L653 WeakPolarHBondContact O-CB 3.16Å; M650-L653 PolarHBondContact O-N 3.47Å; M650-L653 HydrophobicContact SD-CD2 4.23Å; D651-L653 VanDerWaalsContact C-N 3.29Å; D651-L653 PolarHBondContact O-N 3.29Å; L653-V655 VanDerWaalsContact C-N 3.3Å; L653-V655 PolarHBondContact O-N 3.33Å; L653-L656 PolarHBondContact O-N 3.46Å; L653-T657 HydrophobicContact CD1-CG2 4.25Å; L653-T657 HydrophobicContact CG-CG2 4.33Å; L653-T657 WeakPolarHBondContact O-CB 3.47Å; L653-T657 WeakPolarHBondContact O-CG2 3.38Å; L653-T657 PolarHBondContact O-N 2.66Å; L653-T657 PolarHBondContact O-OG1 2.87Å; L653-V747 WeakPolarHBondContact CD1-O 3.4Å; L653-Y748 HydrophobicContact CD2-CD1 4.08Å; L653-Y748 HydrophobicContact CD2-CD2 3.86Å; L653-Y748 HydrophobicContact CD2-CE1 4.31Å; L653-Y748 HydrophobicContact CD2-CE2 4.09Å; L653-Y748 HydrophobicContact CD2-CG 3.86Å
654	R	85.9	Confident	88.4	Confident	167 Å²	167	55.8 Å²	55.8	63%	0.63	28%	0.275	S	S	*	.	H	α-helix	trans	-62.4	-35.2	173.4	-72.2	167.7	-178.5	169.1	-2.7	112.4	M650 D651 M652 T657	M650-R654 WeakPolarHBondContact O-CG 3.48Å; M650-R654 PolarHBondContact O-N 3.24Å; D651-R654 WeakPolarHBondContact O-CB 3.45Å; D651-R654 PolarHBondContact O-N 3.44Å; D651-R654 WeakPolarHBondContact OD1-CD 3.38Å; D651-R654 IonicContact OD1-CZ 3.68Å; D651-R654 IonicContact OD1-NE 3.38Å; D651-R654 IonicContact OD1-NH1 2.84Å; D651-R654 PolarHBondContact OD1-NH1 2.89Å; M652-R654 PolarHBondContact O-N 2.98Å; R654-T657 PolarHBondContact O-OG1 3.03Å
655	V	87.5	Confident	88.5	Confident	27 Å²	27	54.7 Å²	54.7	16%	0.164	27%	0.27	C	S	.	.	H	α-helix	trans	-70.9	-50.2	172.6	179.1	0	0	0	0	110.6	D651 M652 L653 T657 K658 Y661 F804	D651-V655 PolarHBondContact O-N 2.96Å; D651-V655 VanDerWaalsContact O-N 3.09Å; M652-V655 PolarHBondContact O-N 2.74Å; L653-V655 VanDerWaalsContact C-N 3.3Å; L653-V655 PolarHBondContact O-N 3.33Å; V655-T657 VanDerWaalsContact C-N 3.27Å; V655-T657 PolarHBondContact O-N 2.99Å; V655-K658 VanDerWaalsContact O-CB 3.28Å; V655-K658 WeakPolarHBondContact O-CB 3.46Å; V655-K658 WeakPolarHBondContact O-CG 3.28Å; V655-K658 PolarHBondContact O-N 2.99Å; V655-Y661 HydrophobicContact CG1-CD2 4.34Å; V655-Y661 HydrophobicContact CG1-CE2 4Å; V655-Y661 WeakPolarHBondContact O-CD2 3.31Å; V655-F804 HydrophobicContact CB-CD2 3.77Å; V655-F804 HydrophobicContact CB-CE2 4.24Å; V655-F804 HydrophobicContact CG1-CB 4.49Å; V655-F804 HydrophobicContact CG1-CD2 3.7Å; V655-F804 HydrophobicContact CG1-CE2 4.39Å; V655-F804 HydrophobicContact CG1-CG 4.37Å; V655-F804 HydrophobicContact CG2-CD2 4.27Å
656	L	87.3	Confident	88.6	Confident	27 Å²	27	54.5 Å²	54.5	14%	0.141	27%	0.269	C	S	.	.	H	α-helix	trans	-55.7	-38.3	179.4	-81.6	160.3	0	0	0	113.5	M652 L653 K658 P793 M797 I799 F804	M652-L656 WeakPolarHBondContact O-CB 3.44Å; M652-L656 WeakPolarHBondContact O-CG 3.49Å; M652-L656 PolarHBondContact O-N 2.68Å; L653-L656 PolarHBondContact O-N 3.46Å; L656-K658 VanDerWaalsContact C-N 3.3Å; L656-K658 PolarHBondContact O-N 2.96Å; L656-P793 HydrophobicContact CD1-CG 4.14Å; L656-P793 HydrophobicContact CD2-CB 3.94Å; L656-P793 HydrophobicContact CD2-CG 3.95Å; L656-M797 HydrophobicContact CD2-CE 3.95Å; L656-M797 HydrophobicContact CD2-SD 3.6Å; L656-M797 VanDerWaalsContact CD2-SD 3.6Å; L656-I799 HydrophobicContact CD2-CD1 3.64Å; L656-I799 HydrophobicContact CG-CD1 4.24Å; L656-F804 HydrophobicContact CD1-CE2 4.4Å; L656-F804 HydrophobicContact CD1-CZ 4.36Å; L656-F804 HydrophobicContact CG-CE2 4.16Å; L656-F804 HydrophobicContact CG-CZ 4.31Å
657	T	87.4	Confident	88.8	Confident	19 Å²	19	52 Å²	52	12%	0.117	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	0.2	-179.7	53.1	0	0	0	0	114.2	L653 R654 V655 I662 L744 V747	L653-T657 HydrophobicContact CD1-CG2 4.25Å; L653-T657 HydrophobicContact CG-CG2 4.33Å; L653-T657 WeakPolarHBondContact O-CB 3.47Å; L653-T657 WeakPolarHBondContact O-CG2 3.38Å; L653-T657 PolarHBondContact O-N 2.66Å; L653-T657 PolarHBondContact O-OG1 2.87Å; R654-T657 PolarHBondContact O-OG1 3.03Å; V655-T657 VanDerWaalsContact C-N 3.27Å; V655-T657 PolarHBondContact O-N 2.99Å; T657-I662 HydrophobicContact CG2-CD1 4.35Å; T657-L744 WeakPolarHBondContact CG2-O 3.48Å; T657-L744 WeakPolarHBondContact O-CD1 3.27Å; T657-V747 HydrophobicContact CG2-CB 4.24Å
658	K	87	Confident	88.9	Confident	89 Å²	89	51 Å²	51	39%	0.387	26%	0.26	S	S	.	.	S	Bend	trans	-59.7	137.6	171	-71.2	176.2	-179.7	175.3	0	109.9	V655 L656 M660 Y661 I662	V655-K658 VanDerWaalsContact O-CB 3.28Å; V655-K658 WeakPolarHBondContact O-CB 3.46Å; V655-K658 WeakPolarHBondContact O-CG 3.28Å; V655-K658 PolarHBondContact O-N 2.99Å; L656-K658 VanDerWaalsContact C-N 3.3Å; L656-K658 PolarHBondContact O-N 2.96Å; K658-M660 HydrophobicContact CB-CG 4.28Å; K658-M660 PolarHBondContact O-N 3.42Å; K658-Y661 HydrophobicContact CB-CD2 4.08Å; K658-Y661 HydrophobicContact CD-CD2 4.46Å; K658-Y661 HydrophobicContact CD-CE2 4.21Å; K658-Y661 PolarHBondContact O-N 3.38Å; K658-I662 WeakPolarHBondContact O-CG2 3.48Å; K658-I662 PolarHBondContact O-N 3.45Å; K658-I662 VanDerWaalsContact O-N 3.17Å
659	P	87.8	Confident	89	Confident	44 Å²	44	50.2 Å²	50.2	29%	0.286	26%	0.256	S	S	.	.	H	α-helix	trans	-51.3	-35.9	-177.3	-29.2	33.6	0	0	0	115.3	Y661 V663 Y705 L744	P659-Y661 VanDerWaalsContact C-N 3.3Å; P659-Y661 PolarHBondContact O-N 2.86Å; P659-V663 HydrophobicContact CB-CG2 4.36Å; P659-V663 VanDerWaalsContact O-CB 3.23Å; P659-V663 WeakPolarHBondContact O-CB 3.49Å; P659-V663 WeakPolarHBondContact O-CG2 3.23Å; P659-V663 PolarHBondContact O-N 3.31Å; P659-Y705 HydrophobicContact CB-CD2 4.03Å; P659-Y705 HydrophobicContact CB-CE2 3.79Å; P659-Y705 HydrophobicContact CG-CD2 4.18Å; P659-Y705 HydrophobicContact CG-CE2 4.3Å; P659-L744 HydrophobicContact CB-CD1 4.41Å; P659-L744 HydrophobicContact CG-CD1 3.79Å
660	M	87.1	Confident	89.3	Confident	125 Å²	125	47.4 Å²	47.4	62%	0.616	24%	0.243	S	C	*	.	H	α-helix	trans	-62.2	-32.7	-179.7	67.7	-172.2	-68.8	0	0	113.8	K658	K658-M660 HydrophobicContact CB-CG 4.28Å; K658-M660 PolarHBondContact O-N 3.42Å
661	Y	89	Confident	89.7	Confident	35 Å²	35	44.4 Å²	44.4	14%	0.137	23%	0.228	C	C	.	.	H	α-helix	trans	-98.1	-41.8	-175.8	-57.8	-55.9	0	0	0	112.3	V655 K658 P659 F665 M797 I799	V655-Y661 HydrophobicContact CG1-CD2 4.34Å; V655-Y661 HydrophobicContact CG1-CE2 4Å; V655-Y661 WeakPolarHBondContact O-CD2 3.31Å; K658-Y661 HydrophobicContact CB-CD2 4.08Å; K658-Y661 HydrophobicContact CD-CD2 4.46Å; K658-Y661 HydrophobicContact CD-CE2 4.21Å; K658-Y661 PolarHBondContact O-N 3.38Å; P659-Y661 VanDerWaalsContact C-N 3.3Å; P659-Y661 PolarHBondContact O-N 2.86Å; Y661-F665 VanDerWaalsContact O-CD2 3.25Å; Y661-F665 WeakPolarHBondContact O-CD2 3.3Å; Y661-M797 VanDerWaalsContact O-CE 3.32Å; Y661-M797 WeakPolarHBondContact O-CE 3.46Å; Y661-I799 HydrophobicContact CD1-CD1 4.3Å; Y661-I799 HydrophobicContact CD1-CG1 3.68Å; Y661-I799 HydrophobicContact CD2-CD1 4.09Å; Y661-I799 HydrophobicContact CD2-CG1 4.27Å; Y661-I799 HydrophobicContact CE1-CB 4.45Å; Y661-I799 HydrophobicContact CE1-CG1 3.94Å; Y661-I799 HydrophobicContact CE1-CG2 4.4Å; Y661-I799 HydrophobicContact CE2-CG2 4.43Å; Y661-I799 HydrophobicContact CG-CD1 3.95Å; Y661-I799 HydrophobicContact CG-CG1 3.86Å
662	I	90.8	Very high	90.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-76.1	-39.2	-175.4	-167.5	164.4	0	0	0	113.3	T657 K658 F665 L666 L744 V747 I750	T657-I662 HydrophobicContact CG2-CD1 4.35Å; K658-I662 WeakPolarHBondContact O-CG2 3.48Å; K658-I662 PolarHBondContact O-N 3.45Å; K658-I662 VanDerWaalsContact O-N 3.17Å; I662-F665 PolarHBondContact O-N 3.49Å; I662-L666 HydrophobicContact CD1-CD2 4.4Å; I662-L666 HydrophobicContact CG1-CD2 3.99Å; I662-L666 HydrophobicContact CG1-CG 4.22Å; I662-L666 PolarHBondContact O-N 3.03Å; I662-L744 HydrophobicContact CG2-CD1 4.17Å; I662-L744 HydrophobicContact CG2-CD2 4.01Å; I662-V747 HydrophobicContact CD1-CB 4.28Å; I662-V747 HydrophobicContact CD1-CG1 4.1Å; I662-V747 HydrophobicContact CD1-CG2 4.31Å; I662-I750 HydrophobicContact CD1-CD1 3.92Å; I662-I750 HydrophobicContact CD1-CG1 4.42Å; I662-I750 HydrophobicContact CG1-CD1 3.8Å
663	V	90.1	Very high	90.3	Very high	27 Å²	27	42.5 Å²	42.5	16%	0.164	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-59	-41	-169.9	172.6	0	0	0	0	114	P659 F665 L666 F689 Y705	P659-V663 HydrophobicContact CB-CG2 4.36Å; P659-V663 VanDerWaalsContact O-CB 3.23Å; P659-V663 WeakPolarHBondContact O-CB 3.49Å; P659-V663 WeakPolarHBondContact O-CG2 3.23Å; P659-V663 PolarHBondContact O-N 3.31Å; V663-F665 PolarHBondContact O-N 3.39Å; V663-F665 VanDerWaalsContact O-N 3.13Å; V663-L666 HydrophobicContact CG2-CD1 4.37Å; V663-L666 PolarHBondContact O-N 3.47Å; V663-L666 VanDerWaalsContact O-N 3.16Å; V663-F689 HydrophobicContact CG1-CE2 3.74Å; V663-F689 HydrophobicContact CG1-CZ 4.01Å; V663-Y705 HydrophobicContact CG1-CE1 4.37Å; V663-Y705 HydrophobicContact CG2-CD1 4.1Å; V663-Y705 HydrophobicContact CG2-CD2 4.43Å; V663-Y705 HydrophobicContact CG2-CE1 3.94Å; V663-Y705 HydrophobicContact CG2-CE2 4.32Å; V663-Y705 HydrophobicContact CG2-CG 4.33Å
664	P	90.9	Very high	90.6	Very high	94 Å²	94	41.4 Å²	41.4	61%	0.61	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-55	-28.7	174.4	-27.5	35.9	0	0	0	114.4
665	F	92.4	Very high	90.8	Very high	42 Å²	42	36.2 Å²	36.2	18%	0.184	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-94.6	-8	-176.7	-58.6	-83.6	0	0	0	113.7	Y661 I662 V663 S667 R670 L791 D796 M797	Y661-F665 VanDerWaalsContact O-CD2 3.25Å; Y661-F665 WeakPolarHBondContact O-CD2 3.3Å; I662-F665 PolarHBondContact O-N 3.49Å; V663-F665 PolarHBondContact O-N 3.39Å; V663-F665 VanDerWaalsContact O-N 3.13Å; F665-S667 PolarHBondContact O-N 2.91Å; F665-R670 WeakPolarHBondContact O-CD 3.26Å; F665-R670 PolarHBondContact O-NE 2.64Å; F665-L791 HydrophobicContact CB-CD1 3.88Å; F665-L791 HydrophobicContact CD1-CD1 3.48Å; F665-L791 VanDerWaalsContact CD1-CD1 3.48Å; F665-L791 HydrophobicContact CE1-CD1 4.24Å; F665-L791 HydrophobicContact CG-CD1 3.73Å; F665-D796 VanDerWaalsContact CZ-O 3.22Å; F665-D796 WeakPolarHBondContact CZ-O 3.19Å; F665-M797 HydrophobicContact CD2-CE 3.9Å; F665-M797 HydrophobicContact CD2-CG 4.04Å; F665-M797 HydrophobicContact CE1-CG 4.44Å; F665-M797 HydrophobicContact CE2-CB 3.96Å; F665-M797 HydrophobicContact CE2-CE 4.21Å; F665-M797 HydrophobicContact CE2-CG 3.75Å; F665-M797 HydrophobicContact CZ-CB 4.21Å; F665-M797 HydrophobicContact CZ-CG 3.98Å
666	L	91.7	Very high	90.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.194	C	C	.	.			trans	-72.1	36	177	-62.3	-178.4	0	0	0	114	I662 V663 L672 F689 I707 L744	I662-L666 HydrophobicContact CD1-CD2 4.4Å; I662-L666 HydrophobicContact CG1-CD2 3.99Å; I662-L666 HydrophobicContact CG1-CG 4.22Å; I662-L666 PolarHBondContact O-N 3.03Å; V663-L666 HydrophobicContact CG2-CD1 4.37Å; V663-L666 PolarHBondContact O-N 3.47Å; V663-L666 VanDerWaalsContact O-N 3.16Å; L666-L672 HydrophobicContact CD2-CD1 3.99Å; L666-L672 HydrophobicContact CD2-CD2 4.45Å; L666-F689 HydrophobicContact CB-CD1 3.63Å; L666-F689 HydrophobicContact CB-CE1 3.83Å; L666-F689 HydrophobicContact CB-CG 4.21Å; L666-F689 HydrophobicContact CD1-CB 4.28Å; L666-F689 HydrophobicContact CD1-CD1 4.42Å; L666-F689 HydrophobicContact CD1-CD2 4.47Å; L666-F689 HydrophobicContact CD1-CG 4.15Å; L666-F689 WeakPolarHBondContact O-CD1 3.45Å; L666-F689 WeakPolarHBondContact O-CE1 3.41Å; L666-I707 HydrophobicContact CD1-CD1 3.76Å; L666-I707 HydrophobicContact CD1-CG1 3.92Å; L666-I707 HydrophobicContact CD2-CD1 3.68Å; L666-I707 HydrophobicContact CG-CD1 4.39Å; L666-L744 HydrophobicContact CD1-CD2 4.47Å
667	S	91.7	Very high	90.3	Very high	27 Å²	27	37.4 Å²	37.4	19%	0.189	21%	0.213	C	C	.	.			trans	-62.6	134.1	172.3	62.5	0	0	0	0	110.8	F665 G669 R670 R754	F665-S667 PolarHBondContact O-N 2.91Å; S667-G669 PolarHBondContact O-N 2.82Å; S667-R670 WeakPolarHBondContact O-CB 3.45Å; S667-R670 PolarHBondContact O-N 3.2Å; S667-R670 VanDerWaalsContact O-N 3.14Å; S667-R754 WeakPolarHBondContact OG-CD 3.48Å
668	P	92.8	Very high	89.7	Confident	75 Å²	75	43.3 Å²	43.3	49%	0.487	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	137.8	174.3	-28.6	35.4	0	0	0	112.8	V686 Y757	P668-V686 WeakPolarHBondContact CA-O 3.17Å; P668-Y757 HydrophobicContact CB-CE1 4.09Å; P668-Y757 WeakPolarHBondContact CB-OH 2.73Å
669	G	92.6	Very high	89.5	Confident	2 Å²	2	41.7 Å²	41.7	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-11	-176.5	0	0	0	0	0	114.9	S667 V686 R754 V755	S667-G669 PolarHBondContact O-N 2.82Å; G669-V686 PolarHBondContact N-O 3.29Å; G669-R754 CarbonylContact O-C 3.5Å; G669-R754 VanDerWaalsContact O-CA 3.26Å; G669-R754 WeakPolarHBondContact O-CA 3.36Å; G669-V755 VanDerWaalsContact CA-O 3.32Å; G669-V755 WeakPolarHBondContact CA-O 3.34Å; G669-V755 WeakPolarHBondContact O-CG2 3.5Å; G669-V755 PolarHBondContact O-N 2.97Å
670	R	94.8	Very high	89.6	Confident	23 Å²	23	42.9 Å²	42.9	9%	0.087	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	145.9	175.5	-171.1	165.6	-58.2	-75.6	-0.3	111.6	F665 S667 V686 S751 S752 R754	F665-R670 WeakPolarHBondContact O-CD 3.26Å; F665-R670 PolarHBondContact O-NE 2.64Å; S667-R670 WeakPolarHBondContact O-CB 3.45Å; S667-R670 PolarHBondContact O-N 3.2Å; S667-R670 VanDerWaalsContact O-N 3.14Å; R670-V686 HydrophobicContact CB-CG2 4.4Å; R670-V686 PolarHBondContact O-N 3.27Å; R670-S751 WeakPolarHBondContact CD-O 3.43Å; R670-S751 WeakPolarHBondContact CG-O 3.37Å; R670-S751 PolarHBondContact NH1-O 2.92Å; R670-S752 PolarHBondContact NH1-O 2.88Å; R670-R754 HydrophobicContact CB-CG 4.15Å
671	L	95.2	Very high	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.6	173.1	-58.3	180	0	0	0	111.8	W683 G684 V685 S751 I753 V755 L774 V777	L671-W683 HydrophobicContact CB-CE3 3.77Å; L671-W683 HydrophobicContact CB-CZ3 4.17Å; L671-G684 WeakPolarHBondContact CA-O 3.42Å; L671-V685 HydrophobicContact CD2-CG2 3.86Å; L671-S751 PolarHBondContact O-N 3.2Å; L671-I753 HydrophobicContact CD1-CB 4.24Å; L671-I753 HydrophobicContact CD1-CG2 4.06Å; L671-I753 PolarHBondContact N-O 2.86Å; L671-V755 HydrophobicContact CD2-CG2 3.58Å; L671-V755 HydrophobicContact CG-CG2 4.26Å; L671-L774 HydrophobicContact CD2-CD2 3.38Å; L671-V777 HydrophobicContact CD1-CG1 3.94Å
672	L	94.6	Very high	89.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140	171.1	-63.8	-178.6	0	0	0	109.9	L666 V674 W683 G684 V686 I707 V709 V747 G749 I750	L666-L672 HydrophobicContact CD2-CD1 3.99Å; L666-L672 HydrophobicContact CD2-CD2 4.45Å; L672-V674 HydrophobicContact CB-CG2 4.35Å; L672-W683 WeakPolarHBondContact O-CA 3.5Å; L672-G684 PolarHBondContact N-O 3.47Å; L672-G684 PolarHBondContact O-N 3.24Å; L672-V686 HydrophobicContact CD1-CG2 3.46Å; L672-V686 VanDerWaalsContact CD1-CG2 3.46Å; L672-V686 HydrophobicContact CD2-CG2 4.49Å; L672-V686 HydrophobicContact CG-CG2 3.61Å; L672-I707 HydrophobicContact CD1-CD1 3.98Å; L672-I707 HydrophobicContact CD1-CG2 4.36Å; L672-V709 HydrophobicContact CD1-CG2 4.25Å; L672-V747 HydrophobicContact CB-CG1 4.45Å; L672-V747 HydrophobicContact CD1-CG1 4.49Å; L672-V747 HydrophobicContact CD1-CG2 4.08Å; L672-V747 HydrophobicContact CD2-CG1 4Å; L672-G749 WeakPolarHBondContact CA-O 3.4Å; L672-I750 HydrophobicContact CD2-CB 4.13Å; L672-I750 HydrophobicContact CD2-CG1 3.92Å; L672-I750 HydrophobicContact CD2-CG2 3.82Å
673	H	93.7	Very high	89.9	Confident	44 Å²	44	38.8 Å²	38.8	20%	0.204	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123	168	-157.5	-79.8	0	0	0	108.7	D680 G682 W683 Y748 G749	H673-D680 IonicContact CE1-OD1 3.64Å; H673-D680 PolarHBondContact CE1-OD1 2.84Å; H673-D680 IonicContact CE1-OD2 2.67Å; H673-D680 PolarHBondContact CE1-OD2 3.2Å; H673-D680 IonicContact ND1-OD1 3.6Å; H673-G682 WeakPolarHBondContact CA-O 3.35Å; H673-W683 HydrophobicContact CB-CD2 4.3Å; H673-W683 HydrophobicContact CB-CE3 4.13Å; H673-W683 HydrophobicContact CB-CH2 4.14Å; H673-W683 HydrophobicContact CB-CZ2 4.31Å; H673-W683 HydrophobicContact CB-CZ3 4.05Å; H673-W683 AromaticContact CD2-CD1 3.9Å; H673-W683 AromaticContact CD2-CD2 3.97Å; H673-W683 AromaticContact CD2-CE2 3.65Å; H673-W683 AromaticContact CD2-NE1 3.59Å; H673-Y748 PolarHBondContact O-N 3.39Å; H673-G749 PolarHBondContact N-O 2.84Å
674	V	92.7	Very high	90	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.4	-171.9	-179.2	0	0	0	0	110.9	L672 F681 G682 V709 I711 I723 V742 C746	L672-V674 HydrophobicContact CB-CG2 4.35Å; V674-F681 HydrophobicContact CB-CB 4.41Å; V674-F681 HydrophobicContact CG1-CD2 4.33Å; V674-F681 WeakPolarHBondContact O-CB 3.48Å; V674-F681 PolarHBondContact O-N 2.98Å; V674-G682 PolarHBondContact N-O 3.23Å; V674-V709 HydrophobicContact CG2-CG1 4.13Å; V674-I711 HydrophobicContact CB-CG2 4.26Å; V674-I711 HydrophobicContact CG1-CG2 4.47Å; V674-I711 HydrophobicContact CG2-CG2 4.06Å; V674-I723 HydrophobicContact CG1-CD1 3.9Å; V674-V742 HydrophobicContact CG1-CG1 4.18Å; V674-C746 WeakPolarHBondContact CA-O 3.42Å; V674-C746 HydrophobicContact CG1-CB 4.38Å
675	K	89.7	Confident	90.2	Very high	58 Å²	58	33 Å²	33	25%	0.252	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143	175.7	-170.2	176.1	-176.3	-177.1	0	110.2	G677 D679 D680 C746 Y748	K675-G677 WeakPolarHBondContact CE-O 3.49Å; K675-D679 WeakPolarHBondContact CA-O 3.25Å; K675-D679 WeakPolarHBondContact CG-O 3.22Å; K675-D680 HydrophobicContact CD-CB 4.43Å; K675-D680 HydrophobicContact CG-CB 4.21Å; K675-C746 PolarHBondContact N-O 3.24Å; K675-C746 CarbonylContact O-C 3.58Å; K675-C746 VanDerWaalsContact O-CA 3.25Å; K675-C746 WeakPolarHBondContact O-CA 3.33Å; K675-Y748 HydrophobicContact CB-CD2 3.75Å; K675-Y748 HydrophobicContact CB-CE2 4.01Å; K675-Y748 HydrophobicContact CB-CG 4.01Å; K675-Y748 HydrophobicContact CD-CD1 4.22Å; K675-Y748 HydrophobicContact CD-CE1 3.93Å; K675-Y748 HydrophobicContact CD-CE2 4.38Å
676	S	84.5	Confident	90.3	Very high	27 Å²	27	31 Å²	31	19%	0.189	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	98.6	-179.8	176.2	0	0	0	0	110.8	D678 D679	S676-D678 PolarHBondContact O-N 2.92Å; S676-D679 PolarHBondContact N-O 3.49Å; S676-D679 PolarHBondContact O-N 2.97Å
677	G	79	Confident	90.4	Very high	52 Å²	52	32.3 Å²	32.3	54%	0.536	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-127.8	-168.1	0	0	0	0	0	109.3	K675	K675-G677 WeakPolarHBondContact CE-O 3.49Å
678	D	76.4	Confident	90.4	Very high	144 Å²	144	35 Å²	35	77%	0.77	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-20.9	177.6	-56.5	-48.4	0	0	0	113	S676 D680	S676-D678 PolarHBondContact O-N 2.92Å; D678-D680 PolarHBondContact O-N 3.26Å
679	D	83	Confident	90.4	Very high	54 Å²	54	34.6 Å²	34.6	29%	0.289	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	114.7	179.9	-76.6	-54.1	0	0	0	111.3	K675 S676 F681 R727 P728	K675-D679 WeakPolarHBondContact CA-O 3.25Å; K675-D679 WeakPolarHBondContact CG-O 3.22Å; S676-D679 PolarHBondContact N-O 3.49Å; S676-D679 PolarHBondContact O-N 2.97Å; D679-F681 HydrophobicContact CB-CE2 4.06Å; D679-F681 HydrophobicContact CB-CZ 4.23Å; D679-R727 IonicContact OD1-NH1 3.32Å; D679-R727 IonicContact OD2-NH1 3.75Å; D679-P728 HydrophobicContact CB-CG 4.42Å; D679-P728 WeakPolarHBondContact OD1-CD 3.47Å
680	D	88.7	Confident	90.3	Very high	70 Å²	70	39.4 Å²	39.4	37%	0.374	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.9	176.5	-172.9	2.2	0	0	0	111.3	H673 K675 D678 G682 P728	H673-D680 IonicContact CE1-OD1 3.64Å; H673-D680 PolarHBondContact CE1-OD1 2.84Å; H673-D680 IonicContact CE1-OD2 2.67Å; H673-D680 PolarHBondContact CE1-OD2 3.2Å; H673-D680 IonicContact ND1-OD1 3.6Å; K675-D680 HydrophobicContact CD-CB 4.43Å; K675-D680 HydrophobicContact CG-CB 4.21Å; D678-D680 PolarHBondContact O-N 3.26Å; D680-G682 PolarHBondContact OD1-N 2.89Å; D680-P728 WeakPolarHBondContact O-CB 3.48Å; D680-P728 WeakPolarHBondContact O-CG 3.5Å
681	F	89.7	Confident	89.9	Confident	8 Å²	8	44.5 Å²	44.5	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-5.3	179.6	-57.8	-93.2	0	0	0	112.5	V674 D679 I711 I723 I726 P728	V674-F681 HydrophobicContact CB-CB 4.41Å; V674-F681 HydrophobicContact CG1-CD2 4.33Å; V674-F681 WeakPolarHBondContact O-CB 3.48Å; V674-F681 PolarHBondContact O-N 2.98Å; D679-F681 HydrophobicContact CB-CE2 4.06Å; D679-F681 HydrophobicContact CB-CZ 4.23Å; F681-I711 HydrophobicContact CB-CB 4.37Å; F681-I711 HydrophobicContact CB-CD1 4.31Å; F681-I711 HydrophobicContact CD1-CD1 3.76Å; F681-I711 HydrophobicContact CE1-CD1 4.22Å; F681-I711 HydrophobicContact CG-CD1 3.96Å; F681-I723 HydrophobicContact CD2-CD1 4.34Å; F681-I723 HydrophobicContact CE2-CD1 4Å; F681-I723 HydrophobicContact CE2-CG1 3.94Å; F681-I723 HydrophobicContact CZ-CG1 4.05Å; F681-I726 HydrophobicContact CE1-CB 4.38Å; F681-I726 HydrophobicContact CE1-CG2 3.94Å; F681-I726 WeakPolarHBondContact CZ-O 3.49Å; F681-P728 HydrophobicContact CD1-CB 4.26Å
682	G	90.6	Very high	89.2	Confident	17 Å²	17	47.8 Å²	47.8	18%	0.175	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.2	-147	-177.3	0	0	0	0	0	113.2	H673 V674 D680 G684	H673-G682 WeakPolarHBondContact CA-O 3.35Å; V674-G682 PolarHBondContact N-O 3.23Å; D680-G682 PolarHBondContact OD1-N 2.89Å; G682-G684 PolarHBondContact O-N 3.12Å
683	W	92.5	Very high	88.1	Confident	49 Å²	49	54 Å²	54	19%	0.186	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.8	-176.6	-68.5	102.5	0	0	0	113.2	L671 L672 H673 I788 L790	L671-W683 HydrophobicContact CB-CE3 3.77Å; L671-W683 HydrophobicContact CB-CZ3 4.17Å; L672-W683 WeakPolarHBondContact O-CA 3.5Å; H673-W683 HydrophobicContact CB-CD2 4.3Å; H673-W683 HydrophobicContact CB-CE3 4.13Å; H673-W683 HydrophobicContact CB-CH2 4.14Å; H673-W683 HydrophobicContact CB-CZ2 4.31Å; H673-W683 HydrophobicContact CB-CZ3 4.05Å; H673-W683 AromaticContact CD2-CD1 3.9Å; H673-W683 AromaticContact CD2-CD2 3.97Å; H673-W683 AromaticContact CD2-CE2 3.65Å; H673-W683 AromaticContact CD2-NE1 3.59Å; W683-I788 HydrophobicContact CD2-CD1 4.29Å; W683-I788 HydrophobicContact CD2-CG2 4.49Å; W683-I788 HydrophobicContact CG-CD1 3.97Å; W683-I788 HydrophobicContact CH2-CG2 4.31Å; W683-I788 HydrophobicContact CZ2-CB 4.07Å; W683-I788 HydrophobicContact CZ2-CG2 3.97Å; W683-L790 HydrophobicContact CH2-CD2 3.56Å; W683-L790 HydrophobicContact CZ2-CD2 3.94Å
684	G	93	Very high	86.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	169.7	171.9	0	0	0	0	0	113.3	L671 L672 G682 L710	L671-G684 WeakPolarHBondContact CA-O 3.42Å; L672-G684 PolarHBondContact N-O 3.47Å; L672-G684 PolarHBondContact O-N 3.24Å; G682-G684 PolarHBondContact O-N 3.12Å; G684-L710 CarbonylContact C-O 3.56Å; G684-L710 WeakPolarHBondContact CA-O 3.19Å
685	V	95.1	Very high	84.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.1	-175.3	-172	0	0	0	0	111.3	L671 V687 V709 L710 V755 Y757 V770 L774	L671-V685 HydrophobicContact CD2-CG2 3.86Å; V685-V687 PolarHBondContact O-N 3.24Å; V685-V709 WeakPolarHBondContact O-CA 3.31Å; V685-V709 WeakPolarHBondContact O-CG1 3.43Å; V685-L710 HydrophobicContact CB-CB 4.36Å; V685-L710 PolarHBondContact N-O 2.85Å; V685-L710 PolarHBondContact O-N 3.2Å; V685-V755 HydrophobicContact CG1-CG2 4.05Å; V685-V755 HydrophobicContact CG2-CG2 3.75Å; V685-Y757 HydrophobicContact CG1-CD1 4.17Å; V685-V770 HydrophobicContact CG2-CG1 3.72Å; V685-L774 HydrophobicContact CG2-CD1 4.2Å; V685-L774 HydrophobicContact CG2-CD2 3.85Å; V685-L774 HydrophobicContact CG2-CG 4.16Å
686	V	95.2	Very high	83	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	121	172.2	179.1	0	0	0	0	110.1	P668 G669 R670 L672 I707	P668-V686 WeakPolarHBondContact CA-O 3.17Å; G669-V686 PolarHBondContact N-O 3.29Å; R670-V686 HydrophobicContact CB-CG2 4.4Å; R670-V686 PolarHBondContact O-N 3.27Å; L672-V686 HydrophobicContact CD1-CG2 3.46Å; L672-V686 VanDerWaalsContact CD1-CG2 3.46Å; L672-V686 HydrophobicContact CD2-CG2 4.49Å; L672-V686 HydrophobicContact CG-CG2 3.61Å; V686-I707 HydrophobicContact CG1-CG2 4.08Å; V686-I707 HydrophobicContact CG2-CG2 4.37Å
687	V	92.9	Very high	81.5	Confident	29 Å²	29	71.2 Å²	71.2	18%	0.176	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-44.7	175.1	-176.8	0	0	0	0	110.7	V685 D708 L710 V739 Y757 L761	V685-V687 PolarHBondContact O-N 3.24Å; V687-D708 WeakPolarHBondContact CB-O 3.38Å; V687-D708 PolarHBondContact N-O 3.02Å; V687-L710 HydrophobicContact CG2-CB 3.89Å; V687-V739 HydrophobicContact CG2-CG1 4.35Å; V687-V739 HydrophobicContact CG2-CG2 4.34Å; V687-Y757 HydrophobicContact CG1-CE2 4.14Å; V687-Y757 PolarHBondContact O-OH 3.21Å; V687-Y757 VanDerWaalsContact O-OH 3.06Å; V687-L761 HydrophobicContact CB-CD1 4.35Å; V687-L761 HydrophobicContact CG1-CD1 3.74Å; V687-L761 HydrophobicContact CG2-CD1 3.59Å
688	N	91.8	Very high	79.9	Confident	84 Å²	84	78.7 Å²	78.7	45%	0.449	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	169.2	-179.2	-162.9	12.4	0	0	0	110.5	D708	N688-D708 HydrophobicContact CB-CB 4.4Å; N688-D708 PolarHBondContact N-O 3.38Å; N688-D708 PolarHBondContact O-N 3Å
689	F	92	Very high	78.5	Confident	66 Å²	66	78.4 Å²	78.4	29%	0.289	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.3	166.5	69	-87.7	0	0	0	111.5	V663 L666 Y705 V706 I707	V663-F689 HydrophobicContact CG1-CE2 3.74Å; V663-F689 HydrophobicContact CG1-CZ 4.01Å; L666-F689 HydrophobicContact CB-CD1 3.63Å; L666-F689 HydrophobicContact CB-CE1 3.83Å; L666-F689 HydrophobicContact CB-CG 4.21Å; L666-F689 HydrophobicContact CD1-CB 4.28Å; L666-F689 HydrophobicContact CD1-CD1 4.42Å; L666-F689 HydrophobicContact CD1-CD2 4.47Å; L666-F689 HydrophobicContact CD1-CG 4.15Å; L666-F689 WeakPolarHBondContact O-CD1 3.45Å; L666-F689 WeakPolarHBondContact O-CE1 3.41Å; F689-Y705 HydrophobicContact CD2-CD1 4.07Å; F689-Y705 HydrophobicContact CD2-CE1 4.36Å; F689-Y705 HydrophobicContact CE2-CE1 4.38Å; F689-V706 CarbonylContact C-O 3.56Å; F689-V706 WeakPolarHBondContact CA-O 3.39Å; F689-I707 HydrophobicContact CB-CG1 4.42Å; F689-I707 HydrophobicContact CB-CG2 4.35Å
690	R	90.6	Very high	76.7	Confident	103 Å²	103	82.2 Å²	82.2	39%	0.389	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	143	179.8	56.4	176.1	168.1	-78.9	-12.6	112.2	I692 Y705 V706 D708	R690-I692 HydrophobicContact CG-CG1 4.44Å; R690-Y705 WeakPolarHBondContact O-CA 3.47Å; R690-V706 HydrophobicContact CG-CB 4.32Å; R690-V706 PolarHBondContact N-O 3.07Å; R690-V706 PolarHBondContact O-N 2.82Å; R690-D708 IonicContact CZ-OD1 2.65Å; R690-D708 VanDerWaalsContact CZ-OD1 3.32Å; R690-D708 IonicContact CZ-OD2 2.79Å; R690-D708 IonicContact NH1-OD1 2.67Å; R690-D708 PolarHBondContact NH1-OD1 2.94Å; R690-D708 IonicContact NH1-OD2 3.65Å; R690-D708 PolarHBondContact NH1-OD2 3.13Å; R690-D708 IonicContact NH2-OD1 3.65Å; R690-D708 PolarHBondContact NH2-OD1 2.99Å; R690-D708 IonicContact NH2-OD2 3.56Å
691	R	87.7	Confident	74.8	Confident	129 Å²	129	82.3 Å²	82.3	49%	0.487	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	138.4	167.7	179.6	175.6	168.7	177.9	2.5	109.3	D700 P703 Y705	R691-D700 IonicContact NH2-OD1 2.68Å; R691-D700 PolarHBondContact NH2-OD1 3.37Å; R691-P703 HydrophobicContact CG-CB 4.05Å; R691-P703 VanDerWaalsContact NE-CB 3.35Å; R691-Y705 HydrophobicContact CB-CD1 4.33Å; R691-Y705 HydrophobicContact CB-CE1 4Å
692	I	80.7	Confident	73.3	Confident	70 Å²	70	86.3 Å²	86.3	36%	0.359	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.5	177.4	-56.7	-170.1	0	0	0	108.9	R690 S704 V706	R690-I692 HydrophobicContact CG-CG1 4.44Å; I692-S704 PolarHBondContact N-O 2.88Å; I692-V706 HydrophobicContact CD1-CB 3.86Å; I692-V706 HydrophobicContact CD1-CG2 3.42Å; I692-V706 VanDerWaalsContact CD1-CG2 3.42Å; I692-V706 HydrophobicContact CG1-CG2 4.34Å
693	I	70.1	Confident	72.1	Confident	129 Å²	129	87.5 Å²	87.5	66%	0.662	46%	0.456	S	S	*	.			trans	-106.8	120.1	174	-56.6	172.7	0	0	0	107.6	K695	I693-K695 PolarHBondContact O-N 2.71Å
694	P	59.8	Low	71.3	Confident	63 Å²	63	87.7 Å²	87.7	41%	0.409	47%	0.465	S	S	.	.			trans	-61.5	132.7	176.5	-22.6	33.8	0	0	0	111.8	G696	P694-G696 PolarHBondContact O-N 3.36Å
695	K	52.6	Low	71.1	Confident	220 Å²	220	89.6 Å²	89.6	96%	0.957	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	109.5	174.3	-74.5	-174.2	175.6	-177	0	110.1	I693	I693-K695 PolarHBondContact O-N 2.71Å
696	G	57.7	Low	70.9	Confident	81 Å²	81	90.4 Å²	90.4	84%	0.835	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.3	-18.2	169.2	0	0	0	0	0	115.3	P694	P694-G696 PolarHBondContact O-N 3.36Å
697	Q	51.4	Low	70.8	Confident	128 Å²	128	90.4 Å²	90.4	60%	0.598	48%	0.477	S	S	*	.			trans	-90.3	138.4	168.9	-76.1	171.3	-42.2	0	0	109.8
698	K	46.8	Very low	70.9	Confident	208 Å²	208	90.1 Å²	90.1	90%	0.904	48%	0.475	S	S	*	.			trans	-98.5	-9.6	178.5	-93.1	-173	173	-176.9	0	114
699	D	45.6	Very low	71	Confident	139 Å²	139	86.1 Å²	86.1	74%	0.743	45%	0.453	S	S	*	.	S	Bend	trans	-107.8	150	-177.4	-65.4	-56	0	0	0	112.5	S701	D699-S701 PolarHBondContact O-N 3.45Å
700	D	45.4	Very low	71	Confident	134 Å²	134	83 Å²	83	72%	0.717	44%	0.44	S	S	*	.			trans	-79.2	39.5	-173.2	-149.1	9.9	0	0	0	112.2	R691 S702	R691-D700 IonicContact NH2-OD1 2.68Å; R691-D700 PolarHBondContact NH2-OD1 3.37Å; D700-S702 PolarHBondContact O-N 3.39Å
701	S	49.7	Very low	71.1	Confident	71 Å²	71	78.1 Å²	78.1	50%	0.497	42%	0.421	S	S	.	.			trans	-73.4	84.2	-175.4	63.9	0	0	0	0	111.8	D699	D699-S701 PolarHBondContact O-N 3.45Å
702	S	57.5	Low	71.2	Confident	92 Å²	92	74.2 Å²	74.2	64%	0.643	41%	0.406	S	S	*	.			trans	61.6	108.8	177.6	70.2	0	0	0	0	115.4	D700 S704	D700-S702 PolarHBondContact O-N 3.39Å; S702-S704 PolarHBondContact O-N 3.17Å
703	P	65.4	Low	71.6	Confident	42 Å²	42	70.9 Å²	70.9	27%	0.273	39%	0.389	S	S	.	.			trans	-66.3	124.3	179.6	25.5	-33.6	0	0	0	111.7	R691 Y705	R691-P703 HydrophobicContact CG-CB 4.05Å; R691-P703 VanDerWaalsContact NE-CB 3.35Å; P703-Y705 HydrophobicContact CB-CE2 4.08Å; P703-Y705 HydrophobicContact CG-CE2 4.08Å; P703-Y705 VanDerWaalsContact O-CD2 3.25Å; P703-Y705 WeakPolarHBondContact O-CD2 3.26Å; P703-Y705 WeakPolarHBondContact O-CE2 3.33Å
704	S	76.9	Confident	72.4	Confident	54 Å²	54	65 Å²	65	38%	0.378	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	142.9	175.5	-69.5	0	0	0	0	111.4	I692 S702	I692-S704 PolarHBondContact N-O 2.88Å; S702-S704 PolarHBondContact O-N 3.17Å
705	Y	88.2	Confident	73.4	Confident	40 Å²	40	64.4 Å²	64.4	16%	0.157	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.3	178.2	-72.8	-101.9	0	0	0	111.3	P659 V663 F689 R690 R691 P703 L744	P659-Y705 HydrophobicContact CB-CD2 4.03Å; P659-Y705 HydrophobicContact CB-CE2 3.79Å; P659-Y705 HydrophobicContact CG-CD2 4.18Å; P659-Y705 HydrophobicContact CG-CE2 4.3Å; V663-Y705 HydrophobicContact CG1-CE1 4.37Å; V663-Y705 HydrophobicContact CG2-CD1 4.1Å; V663-Y705 HydrophobicContact CG2-CD2 4.43Å; V663-Y705 HydrophobicContact CG2-CE1 3.94Å; V663-Y705 HydrophobicContact CG2-CE2 4.32Å; V663-Y705 HydrophobicContact CG2-CG 4.33Å; F689-Y705 HydrophobicContact CD2-CD1 4.07Å; F689-Y705 HydrophobicContact CD2-CE1 4.36Å; F689-Y705 HydrophobicContact CE2-CE1 4.38Å; R690-Y705 WeakPolarHBondContact O-CA 3.47Å; R691-Y705 HydrophobicContact CB-CD1 4.33Å; R691-Y705 HydrophobicContact CB-CE1 4Å; P703-Y705 HydrophobicContact CB-CE2 4.08Å; P703-Y705 HydrophobicContact CG-CE2 4.08Å; P703-Y705 VanDerWaalsContact O-CD2 3.25Å; P703-Y705 WeakPolarHBondContact O-CD2 3.26Å; P703-Y705 WeakPolarHBondContact O-CE2 3.33Å; Y705-L744 HydrophobicContact CD2-CD1 4.41Å
706	V	90.9	Very high	74.6	Confident	16 Å²	16	59 Å²	59	10%	0.097	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.7	168.3	166.8	0	0	0	0	109	F689 R690 I692 P741 V742 L743	F689-V706 CarbonylContact C-O 3.56Å; F689-V706 WeakPolarHBondContact CA-O 3.39Å; R690-V706 HydrophobicContact CG-CB 4.32Å; R690-V706 PolarHBondContact N-O 3.07Å; R690-V706 PolarHBondContact O-N 2.82Å; I692-V706 HydrophobicContact CD1-CB 3.86Å; I692-V706 HydrophobicContact CD1-CG2 3.42Å; I692-V706 VanDerWaalsContact CD1-CG2 3.42Å; I692-V706 HydrophobicContact CG1-CG2 4.34Å; V706-P741 HydrophobicContact CG1-CB 3.52Å; V706-V742 CarbonylContact C-O 3.34Å; V706-V742 WeakPolarHBondContact CA-O 3.38Å; V706-L743 HydrophobicContact CG2-CD2 3.72Å
707	I	93.4	Very high	75.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.2	176.6	-44.3	174.3	0	0	0	107.3	L666 L672 V686 F689 V709 P741 V742 L744 V747	L666-I707 HydrophobicContact CD1-CD1 3.76Å; L666-I707 HydrophobicContact CD1-CG1 3.92Å; L666-I707 HydrophobicContact CD2-CD1 3.68Å; L666-I707 HydrophobicContact CG-CD1 4.39Å; L672-I707 HydrophobicContact CD1-CD1 3.98Å; L672-I707 HydrophobicContact CD1-CG2 4.36Å; V686-I707 HydrophobicContact CG1-CG2 4.08Å; V686-I707 HydrophobicContact CG2-CG2 4.37Å; F689-I707 HydrophobicContact CB-CG1 4.42Å; F689-I707 HydrophobicContact CB-CG2 4.35Å; I707-V709 HydrophobicContact CB-CG2 3.97Å; I707-V709 HydrophobicContact CG2-CG2 3.5Å; I707-V709 PolarHBondContact O-N 2.97Å; I707-P741 CarbonylContact O-C 3.5Å; I707-P741 WeakPolarHBondContact O-CA 3.44Å; I707-V742 HydrophobicContact CB-CG2 4.07Å; I707-V742 PolarHBondContact N-O 2.84Å; I707-V742 PolarHBondContact O-N 3.45Å; I707-L744 HydrophobicContact CD1-CD2 3.79Å; I707-L744 HydrophobicContact CG1-CD2 4.09Å; I707-V747 HydrophobicContact CD1-CG2 3.96Å
708	D	93.7	Very high	76.6	Confident	24 Å²	24	53.3 Å²	53.3	13%	0.128	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	109.7	168.5	-58.9	-41.4	0	0	0	107.6	V687 N688 R690 V739	V687-D708 WeakPolarHBondContact CB-O 3.38Å; V687-D708 PolarHBondContact N-O 3.02Å; N688-D708 HydrophobicContact CB-CB 4.4Å; N688-D708 PolarHBondContact N-O 3.38Å; N688-D708 PolarHBondContact O-N 3Å; R690-D708 IonicContact CZ-OD1 2.65Å; R690-D708 VanDerWaalsContact CZ-OD1 3.32Å; R690-D708 IonicContact CZ-OD2 2.79Å; R690-D708 IonicContact NH1-OD1 2.67Å; R690-D708 PolarHBondContact NH1-OD1 2.94Å; R690-D708 IonicContact NH1-OD2 3.65Å; R690-D708 PolarHBondContact NH1-OD2 3.13Å; R690-D708 IonicContact NH2-OD1 3.65Å; R690-D708 PolarHBondContact NH2-OD1 2.99Å; R690-D708 IonicContact NH2-OD2 3.56Å; D708-V739 HydrophobicContact CB-CG1 3.94Å
709	V	93.9	Very high	78	Confident	0 Å²	0	46 Å²	46	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.3	-176.3	-171.8	0	0	0	0	109.8	L672 V674 V685 I707 I711 V740 V742	L672-V709 HydrophobicContact CD1-CG2 4.25Å; V674-V709 HydrophobicContact CG2-CG1 4.13Å; V685-V709 WeakPolarHBondContact O-CA 3.31Å; V685-V709 WeakPolarHBondContact O-CG1 3.43Å; I707-V709 HydrophobicContact CB-CG2 3.97Å; I707-V709 HydrophobicContact CG2-CG2 3.5Å; I707-V709 PolarHBondContact O-N 2.97Å; V709-I711 HydrophobicContact CB-CG2 4.08Å; V709-I711 HydrophobicContact CG1-CG2 3.63Å; V709-I711 PolarHBondContact O-N 2.86Å; V709-V740 PolarHBondContact N-O 3.38Å; V709-V740 PolarHBondContact O-N 2.71Å; V709-V742 HydrophobicContact CG2-CG2 3.74Å
710	L	93.4	Very high	79.5	Confident	0 Å²	0	42 Å²	42	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	105.9	172.2	-173	74	0	0	0	108.7	G684 V685 V687 L737 E738 V739 L761 V770	G684-L710 CarbonylContact C-O 3.56Å; G684-L710 WeakPolarHBondContact CA-O 3.19Å; V685-L710 HydrophobicContact CB-CB 4.36Å; V685-L710 PolarHBondContact N-O 2.85Å; V685-L710 PolarHBondContact O-N 3.2Å; V687-L710 HydrophobicContact CG2-CB 3.89Å; L710-L737 HydrophobicContact CD1-CB 3.85Å; L710-L737 HydrophobicContact CD2-CB 4.45Å; L710-L737 HydrophobicContact CD2-CD1 3.71Å; L710-L737 HydrophobicContact CG-CB 3.99Å; L710-L737 HydrophobicContact CG-CD1 3.97Å; L710-L737 HydrophobicContact CG-CG 4.46Å; L710-E738 WeakPolarHBondContact CA-O 3.28Å; L710-V739 HydrophobicContact CB-CG2 4.48Å; L710-V739 HydrophobicContact CD1-CG2 3.54Å; L710-L761 HydrophobicContact CD2-CD1 4.48Å; L710-L761 HydrophobicContact CD2-CD2 4.08Å; L710-V770 HydrophobicContact CD2-CB 4.05Å; L710-V770 HydrophobicContact CD2-CG1 3.75Å; L710-V770 HydrophobicContact CD2-CG2 4.33Å
711	I	91.9	Very high	81.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	160.3	-173.5	61.5	174.9	0	0	0	112.3	V674 F681 V709 V713 L737 E738 V740	V674-I711 HydrophobicContact CB-CG2 4.26Å; V674-I711 HydrophobicContact CG1-CG2 4.47Å; V674-I711 HydrophobicContact CG2-CG2 4.06Å; F681-I711 HydrophobicContact CB-CB 4.37Å; F681-I711 HydrophobicContact CB-CD1 4.31Å; F681-I711 HydrophobicContact CD1-CD1 3.76Å; F681-I711 HydrophobicContact CE1-CD1 4.22Å; F681-I711 HydrophobicContact CG-CD1 3.96Å; V709-I711 HydrophobicContact CB-CG2 4.08Å; V709-I711 HydrophobicContact CG1-CG2 3.63Å; V709-I711 PolarHBondContact O-N 2.86Å; I711-V713 HydrophobicContact CD1-CG1 4.36Å; I711-V713 HydrophobicContact CG1-CG1 3.96Å; I711-L737 WeakPolarHBondContact O-CA 3.29Å; I711-L737 WeakPolarHBondContact O-CD2 3.29Å; I711-E738 PolarHBondContact N-O 3.48Å; I711-E738 PolarHBondContact O-N 3Å; I711-E738 VanDerWaalsContact O-N 3.12Å; I711-V740 HydrophobicContact CD1-CB 3.83Å; I711-V740 HydrophobicContact CD1-CG1 4.29Å; I711-V740 HydrophobicContact CD1-CG2 3.74Å; I711-V740 HydrophobicContact CG1-CB 4.12Å; I711-V740 HydrophobicContact CG1-CG2 3.78Å
712	R	90.9	Very high	82.5	Confident	47 Å²	47	43 Å²	43	18%	0.177	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.4	174.7	-62.9	-180	-172.2	-126.1	-1.1	110.3	P729 A735 K736 L737 L771 E775	R712-P729 HydrophobicContact CB-CG 4.33Å; R712-A735 HydrophobicContact CB-CB 4.41Å; R712-K736 CarbonylContact C-O 3.53Å; R712-K736 WeakPolarHBondContact CA-O 3.25Å; R712-L737 HydrophobicContact CB-CD2 4.41Å; R712-L737 HydrophobicContact CG-CD2 3.76Å; R712-L771 HydrophobicContact CG-CD1 4.19Å; R712-E775 IonicContact CZ-OE1 3.63Å; R712-E775 IonicContact NH1-OE1 3.89Å; R712-E775 PolarHBondContact NH1-OE1 3.42Å; R712-E775 VanDerWaalsContact NH1-OE1 3.11Å
713	V	89.3	Confident	83.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.4	-177.1	-52.6	0	0	0	0	111.1	I711 I726 K736 E738	I711-V713 HydrophobicContact CD1-CG1 4.36Å; I711-V713 HydrophobicContact CG1-CG1 3.96Å; V713-I726 HydrophobicContact CB-CG2 3.69Å; V713-I726 HydrophobicContact CG1-CG2 3.31Å; V713-K736 HydrophobicContact CG2-CB 4.49Å; V713-K736 PolarHBondContact N-O 2.79Å; V713-K736 PolarHBondContact O-N 3.21Å; V713-K736 VanDerWaalsContact O-N 3.11Å; V713-E738 HydrophobicContact CG1-CB 4.26Å; V713-E738 HydrophobicContact CG2-CB 4Å
714	S	85.9	Confident	84	Confident	6 Å²	6	40.8 Å²	40.8	4%	0.042	24%	0.235	C	C	.	.			trans	-63.2	141.8	168.1	166.6	0	0	0	0	110.6	S716 C717 R727 E733	S714-S716 PolarHBondContact O-N 2.99Å; S714-S716 VanDerWaalsContact O-N 3.1Å; S714-S716 PolarHBondContact OG-N 2.97Å; S714-S716 PolarHBondContact OG-OG 3.1Å; S714-C717 PolarHBondContact O-N 3.14Å; S714-R727 PolarHBondContact N-O 3.22Å; S714-E733 WeakPolarHBondContact CB-OE1 3.12Å; S714-E733 PolarHBondContact OG-OE1 3.22Å
715	P	81.8	Confident	83.9	Confident	50 Å²	50	43.8 Å²	43.8	33%	0.325	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-53.5	-27.3	176.1	-28.6	36.7	0	0	0	115.1	C717 L718 E733 A734	P715-C717 PolarHBondContact O-N 3.31Å; P715-L718 PolarHBondContact O-N 3.01Å; P715-E733 WeakPolarHBondContact CD-OE1 3.44Å; P715-A734 WeakPolarHBondContact CD-O 3.32Å; P715-A734 WeakPolarHBondContact CG-O 3.42Å
716	S	77.8	Confident	83.6	Confident	107 Å²	107	42 Å²	42	75%	0.748	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-69.7	-14.1	177.3	60.7	0	0	0	0	114	S714	S714-S716 PolarHBondContact O-N 2.99Å; S714-S716 VanDerWaalsContact O-N 3.1Å; S714-S716 PolarHBondContact OG-N 2.97Å; S714-S716 PolarHBondContact OG-OG 3.1Å
717	C	77.1	Confident	83.3	Confident	14 Å²	14	48.8 Å²	48.8	10%	0.095	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-103.6	7.9	-177.5	-61.6	0	0	0	0	113.5	S714 P715 G719 E720 I726 R727	S714-C717 PolarHBondContact O-N 3.14Å; P715-C717 PolarHBondContact O-N 3.31Å; C717-G719 PolarHBondContact O-N 2.83Å; C717-E720 PolarHBondContact O-N 3.38Å; C717-I726 HydrophobicContact CB-CB 4.32Å; C717-I726 HydrophobicContact CB-CG1 4.45Å; C717-I726 HydrophobicContact CB-CG2 3.92Å; C717-R727 PolarHBondContact SG-N 3.3Å; C717-R727 VanDerWaalsContact SG-N 3.44Å
718	L	74	Confident	83	Confident	75 Å²	75	50.1 Å²	50.1	39%	0.393	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	132.7	178.1	-96.6	169.7	0	0	0	112.5	P715 E720 K736	P715-L718 PolarHBondContact O-N 3.01Å; L718-E720 PolarHBondContact O-N 3.4Å; L718-K736 HydrophobicContact CD1-CD 3.56Å; L718-K736 HydrophobicContact CD2-CD 4.14Å; L718-K736 HydrophobicContact CG-CD 4.04Å
719	G	74.4	Confident	82.6	Confident	55 Å²	55	50.5 Å²	50.5	57%	0.567	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-12.3	176.7	0	0	0	0	0	116	C717	C717-G719 PolarHBondContact O-N 2.83Å
720	E	78.2	Confident	82	Confident	55 Å²	55	57.8 Å²	57.8	26%	0.257	30%	0.3	S	S	.	.			trans	-71.9	144.3	167	-178.4	54.2	-88.7	0	0	109.6	C717 L718 Q722 R725 I726	C717-E720 PolarHBondContact O-N 3.38Å; L718-E720 PolarHBondContact O-N 3.4Å; E720-Q722 PolarHBondContact OE1-N 2.87Å; E720-R725 HydrophobicContact CG-CB 3.71Å; E720-R725 WeakPolarHBondContact OE2-CD 3.32Å; E720-R725 IonicContact OE2-CZ 2.86Å; E720-R725 IonicContact OE2-NE 3.89Å; E720-R725 IonicContact OE2-NH1 3.75Å; E720-R725 PolarHBondContact OE2-NH1 3.23Å; E720-I726 HydrophobicContact CB-CG1 4.13Å; E720-I726 HydrophobicContact CG-CG1 3.95Å; E720-I726 WeakPolarHBondContact O-CD1 3.3Å
721	K	78.5	Confident	81.2	Confident	129 Å²	129	64.5 Å²	64.5	56%	0.561	34%	0.343	S	S	*	.			trans	-123.8	-4.4	-175.8	-64.1	-168.1	177	-170.8	0	113.6	P741	K721-P741 VanDerWaalsContact O-CD 3.3Å; K721-P741 WeakPolarHBondContact O-CD 3.4Å; K721-P741 WeakPolarHBondContact O-CG 3.32Å
722	Q	78.5	Confident	80.5	Confident	98 Å²	98	68.9 Å²	68.9	46%	0.458	39%	0.388	S	S	.	.			trans	-87.9	112.5	170.2	-61.4	-163.9	-40.3	0	0	109.8	E720 S724 R725 I726	E720-Q722 PolarHBondContact OE1-N 2.87Å; Q722-S724 PolarHBondContact O-N 3.09Å; Q722-S724 VanDerWaalsContact O-N 3.07Å; Q722-R725 HydrophobicContact CB-CG 4.36Å; Q722-R725 PolarHBondContact O-N 2.63Å; Q722-I726 WeakPolarHBondContact O-CG1 3.42Å
723	I	79.3	Confident	80.1	Confident	24 Å²	24	69.7 Å²	69.7	12%	0.123	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-52	-34.7	-179.5	-172.5	159.7	0	0	0	113.2	V674 F681 R725 I726 V740 V742	V674-I723 HydrophobicContact CG1-CD1 3.9Å; F681-I723 HydrophobicContact CD2-CD1 4.34Å; F681-I723 HydrophobicContact CE2-CD1 4Å; F681-I723 HydrophobicContact CE2-CG1 3.94Å; F681-I723 HydrophobicContact CZ-CG1 4.05Å; I723-R725 PolarHBondContact O-N 3.34Å; I723-I726 PolarHBondContact O-N 3.45Å; I723-I726 VanDerWaalsContact O-N 3.16Å; I723-V740 HydrophobicContact CB-CG1 3.84Å; I723-V740 HydrophobicContact CG1-CG1 4.43Å; I723-V742 HydrophobicContact CD1-CB 4.41Å; I723-V742 HydrophobicContact CD1-CG1 3.55Å
724	S	75	Confident	79.7	Confident	62 Å²	62	73.3 Å²	73.3	43%	0.434	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-67.7	-0.3	176.8	58.3	0	0	0	0	116.1	Q722	Q722-S724 PolarHBondContact O-N 3.09Å; Q722-S724 VanDerWaalsContact O-N 3.07Å
725	R	75.8	Confident	79.5	Confident	118 Å²	118	74.2 Å²	74.2	45%	0.445	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-122	-3.3	175.7	-64.2	-179.9	-175.8	-179.8	8.9	113.3	E720 Q722 I723	E720-R725 HydrophobicContact CG-CB 3.71Å; E720-R725 WeakPolarHBondContact OE2-CD 3.32Å; E720-R725 IonicContact OE2-CZ 2.86Å; E720-R725 IonicContact OE2-NE 3.89Å; E720-R725 IonicContact OE2-NH1 3.75Å; E720-R725 PolarHBondContact OE2-NH1 3.23Å; Q722-R725 HydrophobicContact CB-CG 4.36Å; Q722-R725 PolarHBondContact O-N 2.63Å; I723-R725 PolarHBondContact O-N 3.34Å
726	I	81.5	Confident	79.7	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.01	43%	0.431	C	S	.	.			trans	-100.3	139.3	-179.2	-58.5	171.2	0	0	0	106	F681 V713 C717 E720 Q722 I723 V740	F681-I726 HydrophobicContact CE1-CB 4.38Å; F681-I726 HydrophobicContact CE1-CG2 3.94Å; F681-I726 WeakPolarHBondContact CZ-O 3.49Å; V713-I726 HydrophobicContact CB-CG2 3.69Å; V713-I726 HydrophobicContact CG1-CG2 3.31Å; C717-I726 HydrophobicContact CB-CB 4.32Å; C717-I726 HydrophobicContact CB-CG1 4.45Å; C717-I726 HydrophobicContact CB-CG2 3.92Å; E720-I726 HydrophobicContact CB-CG1 4.13Å; E720-I726 HydrophobicContact CG-CG1 3.95Å; E720-I726 WeakPolarHBondContact O-CD1 3.3Å; Q722-I726 WeakPolarHBondContact O-CG1 3.42Å; I723-I726 PolarHBondContact O-N 3.45Å; I723-I726 VanDerWaalsContact O-N 3.16Å; I726-V740 HydrophobicContact CD1-CB 4.34Å; I726-V740 HydrophobicContact CD1-CG1 3.83Å; I726-V740 HydrophobicContact CD1-CG2 3.49Å; I726-V740 VanDerWaalsContact CD1-CG2 3.49Å
727	R	84.5	Confident	80.2	Confident	158 Å²	158	70.4 Å²	70.4	60%	0.596	40%	0.397	S	S	*	.			trans	-115.2	148.3	174.7	-69.5	-174	-177.9	-93.9	7.2	110.8	D679 S714 C717	D679-R727 IonicContact OD1-NH1 3.32Å; D679-R727 IonicContact OD2-NH1 3.75Å; S714-R727 PolarHBondContact N-O 3.22Å; C717-R727 PolarHBondContact SG-N 3.3Å; C717-R727 VanDerWaalsContact SG-N 3.44Å
728	P	87.1	Confident	80.8	Confident	28 Å²	28	70.5 Å²	70.5	18%	0.182	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-61.9	153.9	168.2	28.2	-34.9	0	0	0	110.5	D679 D680 F681	D679-P728 HydrophobicContact CB-CG 4.42Å; D679-P728 WeakPolarHBondContact OD1-CD 3.47Å; D680-P728 WeakPolarHBondContact O-CB 3.48Å; D680-P728 WeakPolarHBondContact O-CG 3.5Å; F681-P728 HydrophobicContact CD1-CB 4.26Å
729	P	85	Confident	81.6	Confident	33 Å²	33	68.5 Å²	68.5	21%	0.214	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-65.8	137.5	173.9	29.1	-34.1	0	0	0	110.4	R712 E733 A735	R712-P729 HydrophobicContact CB-CG 4.33Å; P729-E733 HydrophobicContact CB-CB 4.32Å; P729-A735 HydrophobicContact CB-CB 4.21Å; P729-A735 HydrophobicContact CG-CB 3.82Å
730	K	81.9	Confident	82.4	Confident	153 Å²	153	65.9 Å²	65.9	67%	0.665	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-66.3	160.1	175.8	-65.1	176	-178	178.9	0	111.3	G732 E733	K730-G732 PolarHBondContact O-N 3.47Å; K730-G732 VanDerWaalsContact O-N 3.14Å; K730-E733 HydrophobicContact CB-CB 4.09Å; K730-E733 WeakPolarHBondContact CB-OE2 3.1Å; K730-E733 WeakPolarHBondContact CG-OE2 3.34Å; K730-E733 PolarHBondContact N-OE2 3.27Å; K730-E733 VanDerWaalsContact O-CB 3.26Å; K730-E733 WeakPolarHBondContact O-CB 3.4Å; K730-E733 PolarHBondContact O-N 3.04Å
731	P	77.5	Confident	83.1	Confident	141 Å²	141	65.2 Å²	65.2	92%	0.916	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	121	171.5	-26	35.3	0	0	0	111.5
732	G	75.7	Confident	83.7	Confident	91 Å²	91	59.2 Å²	59.2	94%	0.938	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-4.3	-176.5	0	0	0	0	0	116.1	K730	K730-G732 PolarHBondContact O-N 3.47Å; K730-G732 VanDerWaalsContact O-N 3.14Å
733	E	82.7	Confident	84.3	Confident	65 Å²	65	58.6 Å²	58.6	30%	0.304	33%	0.334	S	S	.	.	S	Bend	trans	-80.5	140.5	175.2	-168.5	178	-175.9	0	0	111.2	S714 P715 P729 K730 A735	S714-E733 WeakPolarHBondContact CB-OE1 3.12Å; S714-E733 PolarHBondContact OG-OE1 3.22Å; P715-E733 WeakPolarHBondContact CD-OE1 3.44Å; P729-E733 HydrophobicContact CB-CB 4.32Å; K730-E733 HydrophobicContact CB-CB 4.09Å; K730-E733 WeakPolarHBondContact CB-OE2 3.1Å; K730-E733 WeakPolarHBondContact CG-OE2 3.34Å; K730-E733 PolarHBondContact N-OE2 3.27Å; K730-E733 VanDerWaalsContact O-CB 3.26Å; K730-E733 WeakPolarHBondContact O-CB 3.4Å; K730-E733 PolarHBondContact O-N 3.04Å; E733-A735 PolarHBondContact O-N 2.98Å; E733-A735 VanDerWaalsContact O-N 3.08Å
734	A	80.7	Confident	84.7	Confident	76 Å²	76	58.4 Å²	58.4	63%	0.628	33%	0.333	S	S	*	.			trans	-67.9	108.4	179.2	0	0	0	0	0	111.1	P715	P715-A734 WeakPolarHBondContact CD-O 3.32Å; P715-A734 WeakPolarHBondContact CG-O 3.42Å
735	A	82.6	Confident	85.3	Confident	25 Å²	25	61 Å²	61	21%	0.207	34%	0.342	C	S	.	.			trans	-67.1	131.2	177.8	0	0	0	0	0	111.6	R712 P729 E733	R712-A735 HydrophobicContact CB-CB 4.41Å; P729-A735 HydrophobicContact CB-CB 4.21Å; P729-A735 HydrophobicContact CG-CB 3.82Å; E733-A735 PolarHBondContact O-N 2.98Å; E733-A735 VanDerWaalsContact O-N 3.08Å
736	K	87.1	Confident	85.9	Confident	70 Å²	70	55.9 Å²	55.9	30%	0.304	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	157	163.3	-74.8	-165.5	166.9	-151.7	0	110.1	R712 V713 L718 E764	R712-K736 CarbonylContact C-O 3.53Å; R712-K736 WeakPolarHBondContact CA-O 3.25Å; V713-K736 HydrophobicContact CG2-CB 4.49Å; V713-K736 PolarHBondContact N-O 2.79Å; V713-K736 PolarHBondContact O-N 3.21Å; V713-K736 VanDerWaalsContact O-N 3.11Å; L718-K736 HydrophobicContact CD1-CD 3.56Å; L718-K736 HydrophobicContact CD2-CD 4.14Å; L718-K736 HydrophobicContact CG-CD 4.04Å; K736-E764 IonicContact NZ-OE1 2.85Å; K736-E764 PolarHBondContact NZ-OE1 2.68Å; K736-E764 IonicContact NZ-OE2 3.57Å
737	L	88.4	Confident	86.4	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.037	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.5	172.7	-65.4	-174.7	0	0	0	110.6	L710 I711 R712 R767 V770 L771 L774	L710-L737 HydrophobicContact CD1-CB 3.85Å; L710-L737 HydrophobicContact CD2-CB 4.45Å; L710-L737 HydrophobicContact CD2-CD1 3.71Å; L710-L737 HydrophobicContact CG-CB 3.99Å; L710-L737 HydrophobicContact CG-CD1 3.97Å; L710-L737 HydrophobicContact CG-CG 4.46Å; I711-L737 WeakPolarHBondContact O-CA 3.29Å; I711-L737 WeakPolarHBondContact O-CD2 3.29Å; R712-L737 HydrophobicContact CB-CD2 4.41Å; R712-L737 HydrophobicContact CG-CD2 3.76Å; L737-R767 HydrophobicContact CB-CB 4.35Å; L737-R767 WeakPolarHBondContact CD1-O 3.31Å; L737-R767 WeakPolarHBondContact O-CD 3.37Å; L737-R767 PolarHBondContact O-NH1 2.79Å; L737-V770 HydrophobicContact CD1-CB 4.08Å; L737-V770 HydrophobicContact CD1-CG1 4.22Å; L737-L771 HydrophobicContact CD1-CB 3.91Å; L737-L771 HydrophobicContact CD1-CD1 4.49Å; L737-L771 HydrophobicContact CD2-CD1 3.93Å; L737-L771 HydrophobicContact CG-CB 4.18Å; L737-L771 HydrophobicContact CG-CD1 4.12Å; L737-L774 HydrophobicContact CD1-CD1 4.4Å; L737-L774 HydrophobicContact CD2-CD1 4.28Å
738	E	88.9	Confident	86.6	Confident	16 Å²	16	52.7 Å²	52.7	8%	0.075	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.1	172.4	-167.8	54.8	-103.5	0	0	110.7	L710 I711 V713 V740 R767	L710-E738 WeakPolarHBondContact CA-O 3.28Å; I711-E738 PolarHBondContact N-O 3.48Å; I711-E738 PolarHBondContact O-N 3Å; I711-E738 VanDerWaalsContact O-N 3.12Å; V713-E738 HydrophobicContact CG1-CB 4.26Å; V713-E738 HydrophobicContact CG2-CB 4Å; E738-V740 HydrophobicContact CB-CG2 4.36Å; E738-V740 HydrophobicContact CG-CG2 4.42Å; E738-V740 PolarHBondContact O-N 2.82Å; E738-R767 IonicContact OE1-CZ 2.81Å; E738-R767 IonicContact OE1-NH1 3Å; E738-R767 PolarHBondContact OE1-NH1 2.87Å; E738-R767 VanDerWaalsContact OE1-NH1 3.17Å; E738-R767 IonicContact OE1-NH2 3.99Å; E738-R767 PolarHBondContact OE1-NH2 2.79Å; E738-R767 IonicContact OE2-CZ 3.28Å; E738-R767 IonicContact OE2-NH1 3.91Å; E738-R767 PolarHBondContact OE2-NH1 3.4Å; E738-R767 IonicContact OE2-NH2 3.95Å
739	V	91.1	Very high	86.7	Confident	32 Å²	32	51.8 Å²	51.8	19%	0.194	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	107.4	177.4	-178.2	0	0	0	0	108.8	V687 D708 L710 L761	V687-V739 HydrophobicContact CG2-CG1 4.35Å; V687-V739 HydrophobicContact CG2-CG2 4.34Å; D708-V739 HydrophobicContact CB-CG1 3.94Å; L710-V739 HydrophobicContact CB-CG2 4.48Å; L710-V739 HydrophobicContact CD1-CG2 3.54Å; V739-L761 HydrophobicContact CG2-CB 4.49Å; V739-L761 HydrophobicContact CG2-CD1 4Å
740	V	91	Very high	87.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.5	-174	-176.6	0	0	0	0	110.1	V709 I711 I723 I726 E738 V742	V709-V740 PolarHBondContact N-O 3.38Å; V709-V740 PolarHBondContact O-N 2.71Å; I711-V740 HydrophobicContact CD1-CB 3.83Å; I711-V740 HydrophobicContact CD1-CG1 4.29Å; I711-V740 HydrophobicContact CD1-CG2 3.74Å; I711-V740 HydrophobicContact CG1-CB 4.12Å; I711-V740 HydrophobicContact CG1-CG2 3.78Å; I723-V740 HydrophobicContact CB-CG1 3.84Å; I723-V740 HydrophobicContact CG1-CG1 4.43Å; I726-V740 HydrophobicContact CD1-CB 4.34Å; I726-V740 HydrophobicContact CD1-CG1 3.83Å; I726-V740 HydrophobicContact CD1-CG2 3.49Å; I726-V740 VanDerWaalsContact CD1-CG2 3.49Å; E738-V740 HydrophobicContact CB-CG2 4.36Å; E738-V740 HydrophobicContact CG-CG2 4.42Å; E738-V740 PolarHBondContact O-N 2.82Å; V740-V742 HydrophobicContact CG1-CG1 4.25Å; V740-V742 PolarHBondContact O-N 3.32Å
741	P	92.1	Very high	87.6	Confident	42 Å²	42	43.6 Å²	43.6	27%	0.273	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	120.1	169.6	28.3	-33.2	0	0	0	110.7	V706 I707 K721	V706-P741 HydrophobicContact CG1-CB 3.52Å; I707-P741 CarbonylContact O-C 3.5Å; I707-P741 WeakPolarHBondContact O-CA 3.44Å; K721-P741 VanDerWaalsContact O-CD 3.3Å; K721-P741 WeakPolarHBondContact O-CD 3.4Å; K721-P741 WeakPolarHBondContact O-CG 3.32Å
742	V	91.8	Very high	88.2	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	154.8	178.4	-49.7	0	0	0	0	111.4	V674 V706 I707 V709 I723 V740 C746	V674-V742 HydrophobicContact CG1-CG1 4.18Å; V706-V742 CarbonylContact C-O 3.34Å; V706-V742 WeakPolarHBondContact CA-O 3.38Å; I707-V742 HydrophobicContact CB-CG2 4.07Å; I707-V742 PolarHBondContact N-O 2.84Å; I707-V742 PolarHBondContact O-N 3.45Å; V709-V742 HydrophobicContact CG2-CG2 3.74Å; I723-V742 HydrophobicContact CD1-CB 4.41Å; I723-V742 HydrophobicContact CD1-CG1 3.55Å; V740-V742 HydrophobicContact CG1-CG1 4.25Å; V740-V742 PolarHBondContact O-N 3.32Å; V742-C746 HydrophobicContact CB-CB 4.04Å; V742-C746 HydrophobicContact CG2-CB 4.48Å
743	L	90	Very high	89	Confident	86 Å²	86	36.3 Å²	36.3	45%	0.45	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	162.6	173.8	-70	169.5	0	0	0	110.3	V706 N745 C746	V706-L743 HydrophobicContact CG2-CD2 3.72Å; L743-N745 WeakPolarHBondContact CB-OD1 3.43Å; L743-N745 PolarHBondContact O-N 2.94Å; L743-C746 WeakPolarHBondContact O-CB 3.2Å; L743-C746 PolarHBondContact O-N 3.48Å
744	L	89	Confident	89.4	Confident	19 Å²	19	41 Å²	41	10%	0.099	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-58.2	-33	-178	-60.5	-176.9	0	0	0	113.2	T657 P659 I662 L666 Y705 I707 C746 V747	T657-L744 WeakPolarHBondContact CG2-O 3.48Å; T657-L744 WeakPolarHBondContact O-CD1 3.27Å; P659-L744 HydrophobicContact CB-CD1 4.41Å; P659-L744 HydrophobicContact CG-CD1 3.79Å; I662-L744 HydrophobicContact CG2-CD1 4.17Å; I662-L744 HydrophobicContact CG2-CD2 4.01Å; L666-L744 HydrophobicContact CD1-CD2 4.47Å; Y705-L744 HydrophobicContact CD2-CD1 4.41Å; I707-L744 HydrophobicContact CD1-CD2 3.79Å; I707-L744 HydrophobicContact CG1-CD2 4.09Å; L744-C746 PolarHBondContact O-N 2.7Å; L744-V747 WeakPolarHBondContact O-CB 3.35Å; L744-V747 PolarHBondContact O-N 2.77Å; L744-V747 VanDerWaalsContact O-N 3.16Å
745	N	86.3	Confident	89.9	Confident	117 Å²	117	38.3 Å²	38.3	63%	0.626	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-72	-8	177.7	67.6	-33.3	0	0	0	114.4	L743 V747	L743-N745 WeakPolarHBondContact CB-OD1 3.43Å; L743-N745 PolarHBondContact O-N 2.94Å; N745-V747 VanDerWaalsContact C-N 3.33Å
746	C	89.4	Confident	90.2	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.074	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-83.8	-7.9	170.7	-60.5	0	0	0	0	112.8	V674 K675 V742 L743 L744	V674-C746 WeakPolarHBondContact CA-O 3.42Å; V674-C746 HydrophobicContact CG1-CB 4.38Å; K675-C746 PolarHBondContact N-O 3.24Å; K675-C746 CarbonylContact O-C 3.58Å; K675-C746 VanDerWaalsContact O-CA 3.25Å; K675-C746 WeakPolarHBondContact O-CA 3.33Å; V742-C746 HydrophobicContact CB-CB 4.04Å; V742-C746 HydrophobicContact CG2-CB 4.48Å; L743-C746 WeakPolarHBondContact O-CB 3.2Å; L743-C746 PolarHBondContact O-N 3.48Å; L744-C746 PolarHBondContact O-N 2.7Å
747	V	91.1	Very high	90.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.6	-177.7	-176.9	0	0	0	0	109.7	L653 T657 I662 L672 I707 L744 N745 I750	L653-V747 WeakPolarHBondContact CD1-O 3.4Å; T657-V747 HydrophobicContact CG2-CB 4.24Å; I662-V747 HydrophobicContact CD1-CB 4.28Å; I662-V747 HydrophobicContact CD1-CG1 4.1Å; I662-V747 HydrophobicContact CD1-CG2 4.31Å; L672-V747 HydrophobicContact CB-CG1 4.45Å; L672-V747 HydrophobicContact CD1-CG1 4.49Å; L672-V747 HydrophobicContact CD1-CG2 4.08Å; L672-V747 HydrophobicContact CD2-CG1 4Å; I707-V747 HydrophobicContact CD1-CG2 3.96Å; L744-V747 WeakPolarHBondContact O-CB 3.35Å; L744-V747 PolarHBondContact O-N 2.77Å; L744-V747 VanDerWaalsContact O-N 3.16Å; N745-V747 VanDerWaalsContact C-N 3.33Å; V747-I750 HydrophobicContact CG1-CG1 4.11Å
748	Y	89.3	Confident	90	Very high	91 Å²	91	45 Å²	45	36%	0.357	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-9.2	-179.6	-95.7	-118.1	0	0	0	114.1	M650 L653 H673 K675	M650-Y748 HydrophobicContact CE-CD1 4.06Å; M650-Y748 HydrophobicContact CE-CE1 3.6Å; M650-Y748 HydrophobicContact SD-CE1 3.76Å; L653-Y748 HydrophobicContact CD2-CD1 4.08Å; L653-Y748 HydrophobicContact CD2-CD2 3.86Å; L653-Y748 HydrophobicContact CD2-CE1 4.31Å; L653-Y748 HydrophobicContact CD2-CE2 4.09Å; L653-Y748 HydrophobicContact CD2-CG 3.86Å; H673-Y748 PolarHBondContact O-N 3.39Å; K675-Y748 HydrophobicContact CB-CD2 3.75Å; K675-Y748 HydrophobicContact CB-CE2 4.01Å; K675-Y748 HydrophobicContact CB-CG 4.01Å; K675-Y748 HydrophobicContact CD-CD1 4.22Å; K675-Y748 HydrophobicContact CD-CE1 3.93Å; K675-Y748 HydrophobicContact CD-CE2 4.38Å
749	G	89.9	Confident	89.7	Confident	10 Å²	10	54.3 Å²	54.3	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	148	179.4	0	0	0	0	0	111.4	L672 H673	L672-G749 WeakPolarHBondContact CA-O 3.4Å; H673-G749 PolarHBondContact N-O 2.84Å
750	I	92.2	Very high	89.4	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.072	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.3	-179.2	-48.8	164.8	0	0	0	107	I662 L672 V747 L790 L791 M797	I662-I750 HydrophobicContact CD1-CD1 3.92Å; I662-I750 HydrophobicContact CD1-CG1 4.42Å; I662-I750 HydrophobicContact CG1-CD1 3.8Å; L672-I750 HydrophobicContact CD2-CB 4.13Å; L672-I750 HydrophobicContact CD2-CG1 3.92Å; L672-I750 HydrophobicContact CD2-CG2 3.82Å; V747-I750 HydrophobicContact CG1-CG1 4.11Å; I750-L790 CarbonylContact O-C 3.56Å; I750-L790 WeakPolarHBondContact O-CA 3.34Å; I750-L791 HydrophobicContact CB-CD1 4.38Å; I750-L791 HydrophobicContact CG2-CD1 3.62Å; I750-L791 HydrophobicContact CG2-CG 4.41Å; I750-L791 PolarHBondContact O-N 3.1Å; I750-M797 HydrophobicContact CD1-CE 3.93Å; I750-M797 HydrophobicContact CD1-SD 4.04Å
751	S	92.9	Very high	88.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	150.3	179.7	-175.6	0	0	0	0	112.2	R670 L671 I753 I788 P789	R670-S751 WeakPolarHBondContact CD-O 3.43Å; R670-S751 WeakPolarHBondContact CG-O 3.37Å; R670-S751 PolarHBondContact NH1-O 2.92Å; L671-S751 PolarHBondContact O-N 3.2Å; S751-I753 PolarHBondContact O-N 2.63Å; S751-I753 WeakPolarHBondContact OG-CB 3.37Å; S751-I753 PolarHBondContact OG-N 2.83Å; S751-I788 WeakPolarHBondContact OG-CG2 3.14Å; S751-P789 VanDerWaalsContact CA-O 3.25Å; S751-P789 WeakPolarHBondContact CA-O 3.24Å; S751-P789 WeakPolarHBondContact CB-O 3.48Å; S751-P789 PolarHBondContact OG-O 3.44Å
752	S	90.8	Very high	88.3	Confident	51 Å²	51	62.8 Å²	62.8	36%	0.357	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-24.6	165.4	60.2	0	0	0	0	112.6	R670 P789	R670-S752 PolarHBondContact NH1-O 2.88Å; S752-P789 PolarHBondContact N-O 3.38Å; S752-P789 VanDerWaalsContact N-O 3.11Å; S752-P789 PolarHBondContact OG-O 3.02Å
753	I	91.1	Very high	87.9	Confident	28 Å²	28	65.7 Å²	65.7	14%	0.144	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	139.7	-177.7	-59.7	179.1	0	0	0	112.4	L671 S751 V777 Y781 I788 P789	L671-I753 HydrophobicContact CD1-CB 4.24Å; L671-I753 HydrophobicContact CD1-CG2 4.06Å; L671-I753 PolarHBondContact N-O 2.86Å; S751-I753 PolarHBondContact O-N 2.63Å; S751-I753 WeakPolarHBondContact OG-CB 3.37Å; S751-I753 PolarHBondContact OG-N 2.83Å; I753-V777 HydrophobicContact CD1-CG1 3.86Å; I753-Y781 HydrophobicContact CD1-CD2 4.19Å; I753-Y781 HydrophobicContact CD1-CE2 3.48Å; I753-Y781 VanDerWaalsContact CD1-CE2 3.48Å; I753-I788 HydrophobicContact CD1-CG2 4.31Å; I753-P789 HydrophobicContact CD1-CG 3.93Å; I753-P789 HydrophobicContact CG1-CG 4.05Å
754	R	91.8	Very high	87.3	Confident	163 Å²	163	66.6 Å²	66.6	62%	0.615	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	128	163.1	-60	-176.4	-63.5	-173.3	-0.9	110	S667 G669 R670	S667-R754 WeakPolarHBondContact OG-CD 3.48Å; G669-R754 CarbonylContact O-C 3.5Å; G669-R754 VanDerWaalsContact O-CA 3.26Å; G669-R754 WeakPolarHBondContact O-CA 3.36Å; R670-R754 HydrophobicContact CB-CG 4.15Å
755	V	91.1	Very high	87	Confident	19 Å²	19	70.9 Å²	70.9	12%	0.115	35%	0.345	C	S	.	.			trans	-96	142.1	171.2	-88.1	0	0	0	0	110.6	G669 L671 V685 V777	G669-V755 VanDerWaalsContact CA-O 3.32Å; G669-V755 WeakPolarHBondContact CA-O 3.34Å; G669-V755 WeakPolarHBondContact O-CG2 3.5Å; G669-V755 PolarHBondContact O-N 2.97Å; L671-V755 HydrophobicContact CD2-CG2 3.58Å; L671-V755 HydrophobicContact CG-CG2 4.26Å; V685-V755 HydrophobicContact CG1-CG2 4.05Å; V685-V755 HydrophobicContact CG2-CG2 3.75Å; V755-V777 HydrophobicContact CG1-CG2 3.91Å
756	F	89.1	Confident	87	Confident	180 Å²	180	67.3 Å²	67.3	79%	0.789	33%	0.326	S	S	*	.			trans	-68.6	138.4	167.2	176.6	-95.2	0	0	0	109.8
757	Y	87.3	Confident	86.9	Confident	39 Å²	39	68.4 Å²	68.4	15%	0.153	33%	0.328	C	S	.	.			trans	-137.3	145.9	172.1	71.3	-80.8	0	0	0	111.1	P668 V685 V687 L761	P668-Y757 HydrophobicContact CB-CE1 4.09Å; P668-Y757 WeakPolarHBondContact CB-OH 2.73Å; V685-Y757 HydrophobicContact CG1-CD1 4.17Å; V687-Y757 HydrophobicContact CG1-CE2 4.14Å; V687-Y757 PolarHBondContact O-OH 3.21Å; V687-Y757 VanDerWaalsContact O-OH 3.06Å; Y757-L761 HydrophobicContact CD2-CD1 3.94Å; Y757-L761 HydrophobicContact CD2-CD2 4.07Å; Y757-L761 HydrophobicContact CD2-CG 4.15Å; Y757-L761 HydrophobicContact CE2-CD1 3.97Å; Y757-L761 HydrophobicContact CE2-CG 4.45Å
758	P	84.9	Confident	86.6	Confident	24 Å²	24	72.6 Å²	72.6	16%	0.156	35%	0.35	C	S	.	.			trans	-66.5	135.4	176.9	-19.7	33	0	0	0	111.5	N760 N766	P758-N760 PolarHBondContact O-N 2.85Å; P758-N760 VanDerWaalsContact O-N 3.14Å; P758-N766 HydrophobicContact CB-CB 3.96Å; P758-N766 HydrophobicContact CG-CB 3.89Å
759	K	81.9	Confident	86.5	Confident	211 Å²	211	71.5 Å²	71.5	92%	0.917	36%	0.355	S	S	*	.	S	Bend	trans	-58.2	-29	179.9	-68.1	-173.7	178.4	-178.4	0	114	L761	K759-L761 PolarHBondContact O-N 2.69Å
760	N	84.3	Confident	86.4	Confident	92 Å²	92	71 Å²	71	49%	0.492	35%	0.35	S	S	.	.			trans	-94	87	177.8	-175.2	2.3	0	0	0	111.1	P758 N762 N766	P758-N760 PolarHBondContact O-N 2.85Å; P758-N760 VanDerWaalsContact O-N 3.14Å; N760-N762 PolarHBondContact O-N 2.74Å; N760-N762 WeakPolarHBondContact OD1-CB 3.47Å; N760-N762 PolarHBondContact OD1-N 3.28Å; N760-N762 VanDerWaalsContact OD1-N 3.16Å; N760-N766 WeakPolarHBondContact O-CB 3.5Å; N760-N766 PolarHBondContact O-ND2 2.82Å
761	L	81.8	Confident	86.2	Confident	12 Å²	12	71.1 Å²	71.1	6%	0.063	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	9.4	176.9	-66.9	175.8	0	0	0	114.2	V687 L710 V739 Y757 K759 R767	V687-L761 HydrophobicContact CB-CD1 4.35Å; V687-L761 HydrophobicContact CG1-CD1 3.74Å; V687-L761 HydrophobicContact CG2-CD1 3.59Å; L710-L761 HydrophobicContact CD2-CD1 4.48Å; L710-L761 HydrophobicContact CD2-CD2 4.08Å; V739-L761 HydrophobicContact CG2-CB 4.49Å; V739-L761 HydrophobicContact CG2-CD1 4Å; Y757-L761 HydrophobicContact CD2-CD1 3.94Å; Y757-L761 HydrophobicContact CD2-CD2 4.07Å; Y757-L761 HydrophobicContact CD2-CG 4.15Å; Y757-L761 HydrophobicContact CE2-CD1 3.97Å; Y757-L761 HydrophobicContact CE2-CG 4.45Å; K759-L761 PolarHBondContact O-N 2.69Å; L761-R767 PolarHBondContact O-NE 2.79Å; L761-R767 PolarHBondContact O-NH2 2.8Å
762	N	78.7	Confident	85.9	Confident	148 Å²	148	77.9 Å²	77.9	79%	0.791	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.8	174.6	-64.4	-17.9	0	0	0	113	N760	N760-N762 PolarHBondContact O-N 2.74Å; N760-N762 WeakPolarHBondContact OD1-CB 3.47Å; N760-N762 PolarHBondContact OD1-N 3.28Å; N760-N762 VanDerWaalsContact OD1-N 3.16Å
763	N	82.5	Confident	85.8	Confident	64 Å²	64	76.9 Å²	76.9	34%	0.342	37%	0.373	S	S	.	.	S	Bend	trans	-88.9	130.7	173.3	-174.4	5.2	0	0	0	110.3	D765 N766 R767	N763-D765 VanDerWaalsContact C-N 3.31Å; N763-D765 PolarHBondContact ND2-OD2 3.14Å; N763-D765 PolarHBondContact O-N 3.21Å; N763-D765 PolarHBondContact OD1-N 3.45Å; N763-N766 HydrophobicContact CB-CB 4.25Å; N763-N766 PolarHBondContact O-N 3.35Å; N763-R767 PolarHBondContact O-N 2.93Å
764	E	79.1	Confident	85.7	Confident	105 Å²	105	75.9 Å²	75.9	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-60.9	-36.1	175	-75.7	-157.7	129.6	0	0	112.3	K736 N766 R767 L768	K736-E764 IonicContact NZ-OE1 2.85Å; K736-E764 PolarHBondContact NZ-OE1 2.68Å; K736-E764 IonicContact NZ-OE2 3.57Å; E764-N766 VanDerWaalsContact C-N 3.29Å; E764-N766 PolarHBondContact O-N 3.22Å; E764-R767 WeakPolarHBondContact O-CB 3.38Å; E764-R767 PolarHBondContact O-N 2.84Å; E764-R767 VanDerWaalsContact O-N 3.12Å; E764-L768 WeakPolarHBondContact O-CB 3.48Å; E764-L768 PolarHBondContact O-N 2.82Å
765	D	82.5	Confident	85.4	Confident	108 Å²	108	72 Å²	72	58%	0.578	36%	0.357	S	S	*	.	H	α-helix	trans	-61.3	-39.3	177.6	-62.2	-43.2	0	0	0	112.1	N763 L768 C769	N763-D765 VanDerWaalsContact C-N 3.31Å; N763-D765 PolarHBondContact ND2-OD2 3.14Å; N763-D765 PolarHBondContact O-N 3.21Å; N763-D765 PolarHBondContact OD1-N 3.45Å; D765-L768 PolarHBondContact O-N 2.85Å; D765-C769 PolarHBondContact O-N 2.9Å
766	N	86.4	Confident	85.3	Confident	42 Å²	42	77.6 Å²	77.6	23%	0.225	38%	0.382	C	S	.	.	H	α-helix	trans	-67.9	-37.6	177.3	-74.5	-15.4	0	0	0	111.1	P758 N760 N763 E764 C769 V770	P758-N766 HydrophobicContact CB-CB 3.96Å; P758-N766 HydrophobicContact CG-CB 3.89Å; N760-N766 WeakPolarHBondContact O-CB 3.5Å; N760-N766 PolarHBondContact O-ND2 2.82Å; N763-N766 HydrophobicContact CB-CB 4.25Å; N763-N766 PolarHBondContact O-N 3.35Å; E764-N766 VanDerWaalsContact C-N 3.29Å; E764-N766 PolarHBondContact O-N 3.22Å; N766-C769 WeakPolarHBondContact O-CB 3.4Å; N766-C769 PolarHBondContact O-N 3.5Å; N766-V770 WeakPolarHBondContact O-CG2 3.25Å; N766-V770 PolarHBondContact O-N 3.21Å
767	R	86.4	Confident	85.2	Confident	35 Å²	35	69.9 Å²	69.9	13%	0.132	35%	0.35	C	S	.	.	H	α-helix	trans	-66.2	-43.9	173.2	-68.1	-178.6	177.1	-161.7	1.1	111.2	L737 E738 L761 N763 E764 C769 V770 L771	L737-R767 HydrophobicContact CB-CB 4.35Å; L737-R767 WeakPolarHBondContact CD1-O 3.31Å; L737-R767 WeakPolarHBondContact O-CD 3.37Å; L737-R767 PolarHBondContact O-NH1 2.79Å; E738-R767 IonicContact OE1-CZ 2.81Å; E738-R767 IonicContact OE1-NH1 3Å; E738-R767 PolarHBondContact OE1-NH1 2.87Å; E738-R767 VanDerWaalsContact OE1-NH1 3.17Å; E738-R767 IonicContact OE1-NH2 3.99Å; E738-R767 PolarHBondContact OE1-NH2 2.79Å; E738-R767 IonicContact OE2-CZ 3.28Å; E738-R767 IonicContact OE2-NH1 3.91Å; E738-R767 PolarHBondContact OE2-NH1 3.4Å; E738-R767 IonicContact OE2-NH2 3.95Å; L761-R767 PolarHBondContact O-NE 2.79Å; L761-R767 PolarHBondContact O-NH2 2.8Å; N763-R767 PolarHBondContact O-N 2.93Å; E764-R767 WeakPolarHBondContact O-CB 3.38Å; E764-R767 PolarHBondContact O-N 2.84Å; E764-R767 VanDerWaalsContact O-N 3.12Å; R767-C769 VanDerWaalsContact C-N 3.29Å; R767-C769 PolarHBondContact O-N 3.11Å; R767-V770 PolarHBondContact O-N 2.98Å; R767-V770 VanDerWaalsContact O-N 3.13Å; R767-L771 PolarHBondContact O-N 2.76Å
768	L	84.8	Confident	85.1	Confident	89 Å²	89	74.8 Å²	74.8	47%	0.466	37%	0.372	S	S	.	.	H	α-helix	trans	-59.7	-37.2	175.2	-84.4	158.1	0	0	0	112.6	E764 D765 L771 K772	E764-L768 WeakPolarHBondContact O-CB 3.48Å; E764-L768 PolarHBondContact O-N 2.82Å; D765-L768 PolarHBondContact O-N 2.85Å; L768-L771 PolarHBondContact O-N 2.89Å; L768-K772 WeakPolarHBondContact O-CG 3.36Å; L768-K772 PolarHBondContact O-N 3Å
769	C	86.8	Confident	85.1	Confident	67 Å²	67	80.7 Å²	80.7	45%	0.453	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-46.1	173	-170.2	0	0	0	0	111.7	D765 N766 R767 K772 S773	D765-C769 PolarHBondContact O-N 2.9Å; N766-C769 WeakPolarHBondContact O-CB 3.4Å; N766-C769 PolarHBondContact O-N 3.5Å; R767-C769 VanDerWaalsContact C-N 3.29Å; R767-C769 PolarHBondContact O-N 3.11Å; C769-K772 PolarHBondContact O-N 2.82Å; C769-S773 PolarHBondContact O-N 3.17Å; C769-S773 PolarHBondContact O-OG 3.33Å; C769-S773 VanDerWaalsContact O-OG 3.09Å
770	V	88.9	Confident	85.3	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-67.9	-35.3	177	-175.9	0	0	0	0	112.1	V685 L710 L737 N766 R767 S773 L774	V685-V770 HydrophobicContact CG2-CG1 3.72Å; L710-V770 HydrophobicContact CD2-CB 4.05Å; L710-V770 HydrophobicContact CD2-CG1 3.75Å; L710-V770 HydrophobicContact CD2-CG2 4.33Å; L737-V770 HydrophobicContact CD1-CB 4.08Å; L737-V770 HydrophobicContact CD1-CG1 4.22Å; N766-V770 WeakPolarHBondContact O-CG2 3.25Å; N766-V770 PolarHBondContact O-N 3.21Å; R767-V770 PolarHBondContact O-N 2.98Å; R767-V770 VanDerWaalsContact O-N 3.13Å; V770-S773 WeakPolarHBondContact O-CB 3.27Å; V770-S773 PolarHBondContact O-N 3.07Å; V770-L774 HydrophobicContact CG1-CD1 4.46Å; V770-L774 WeakPolarHBondContact O-CG 3.46Å; V770-L774 PolarHBondContact O-N 3.37Å
771	L	86.8	Confident	85.4	Confident	17 Å²	17	74.5 Å²	74.5	9%	0.089	38%	0.376	C	S	.	.	H	α-helix	trans	-60.1	-47.3	174.5	-175.3	66.3	0	0	0	110.6	R712 L737 R767 L768 S773 L774 E775	R712-L771 HydrophobicContact CG-CD1 4.19Å; L737-L771 HydrophobicContact CD1-CB 3.91Å; L737-L771 HydrophobicContact CD1-CD1 4.49Å; L737-L771 HydrophobicContact CD2-CD1 3.93Å; L737-L771 HydrophobicContact CG-CB 4.18Å; L737-L771 HydrophobicContact CG-CD1 4.12Å; R767-L771 PolarHBondContact O-N 2.76Å; L768-L771 PolarHBondContact O-N 2.89Å; L771-S773 VanDerWaalsContact C-N 3.32Å; L771-S773 PolarHBondContact O-N 3.03Å; L771-L774 WeakPolarHBondContact O-CB 3.32Å; L771-L774 PolarHBondContact O-N 2.91Å; L771-E775 WeakPolarHBondContact O-CG 3.19Å; L771-E775 PolarHBondContact O-N 3.43Å
772	K	87	Confident	85.2	Confident	142 Å²	142	77.7 Å²	77.7	62%	0.617	40%	0.4	S	S	*	.	H	α-helix	trans	-60.1	-39.6	173.9	-70.9	177.5	-179.5	-178.2	0	112.2	L768 C769 E775 Q776	L768-K772 WeakPolarHBondContact O-CG 3.36Å; L768-K772 PolarHBondContact O-N 3Å; C769-K772 PolarHBondContact O-N 2.82Å; K772-E775 PolarHBondContact O-N 3.5Å; K772-Q776 WeakPolarHBondContact O-CB 3.33Å; K772-Q776 PolarHBondContact O-N 2.62Å
773	S	89.4	Confident	84.8	Confident	30 Å²	30	78 Å²	78	21%	0.21	40%	0.401	C	S	.	.	H	α-helix	trans	-63.1	-41.7	174.7	-55.1	0	0	0	0	112.4	C769 V770 L771 E775 Q776 V777	C769-S773 PolarHBondContact O-N 3.17Å; C769-S773 PolarHBondContact O-OG 3.33Å; C769-S773 VanDerWaalsContact O-OG 3.09Å; V770-S773 WeakPolarHBondContact O-CB 3.27Å; V770-S773 PolarHBondContact O-N 3.07Å; L771-S773 VanDerWaalsContact C-N 3.32Å; L771-S773 PolarHBondContact O-N 3.03Å; S773-E775 VanDerWaalsContact C-N 3.35Å; S773-Q776 PolarHBondContact O-N 3.1Å; S773-V777 WeakPolarHBondContact O-CG2 3.28Å; S773-V777 PolarHBondContact O-N 3.27Å
774	L	88.5	Confident	84.4	Confident	6 Å²	6	77 Å²	77	3%	0.031	40%	0.402	C	S	.	.	H	α-helix	trans	-64.5	-38.2	174.8	-72.9	168.8	0	0	0	112.2	L671 V685 L737 V770 L771 K778	L671-L774 HydrophobicContact CD2-CD2 3.38Å; V685-L774 HydrophobicContact CG2-CD1 4.2Å; V685-L774 HydrophobicContact CG2-CD2 3.85Å; V685-L774 HydrophobicContact CG2-CG 4.16Å; L737-L774 HydrophobicContact CD1-CD1 4.4Å; L737-L774 HydrophobicContact CD2-CD1 4.28Å; V770-L774 HydrophobicContact CG1-CD1 4.46Å; V770-L774 WeakPolarHBondContact O-CG 3.46Å; V770-L774 PolarHBondContact O-N 3.37Å; L771-L774 WeakPolarHBondContact O-CB 3.32Å; L771-L774 PolarHBondContact O-N 2.91Å; L774-K778 WeakPolarHBondContact O-CB 3.25Å; L774-K778 PolarHBondContact O-N 2.97Å
775	E	86.5	Confident	83.3	Confident	81 Å²	81	82.2 Å²	82.2	38%	0.379	43%	0.427	S	S	.	.	H	α-helix	trans	-69.1	-43.8	176.1	-69.9	174.2	167.3	0	0	111.6	R712 L771 K772 S773 V777 K778 M779	R712-E775 IonicContact CZ-OE1 3.63Å; R712-E775 IonicContact NH1-OE1 3.89Å; R712-E775 PolarHBondContact NH1-OE1 3.42Å; R712-E775 VanDerWaalsContact NH1-OE1 3.11Å; L771-E775 WeakPolarHBondContact O-CG 3.19Å; L771-E775 PolarHBondContact O-N 3.43Å; K772-E775 PolarHBondContact O-N 3.5Å; S773-E775 VanDerWaalsContact C-N 3.35Å; E775-V777 PolarHBondContact O-N 3.01Å; E775-K778 PolarHBondContact O-N 3.45Å; E775-K778 VanDerWaalsContact O-N 3.16Å; E775-M779 WeakPolarHBondContact O-CG 3.37Å; E775-M779 PolarHBondContact O-N 3.06Å
776	Q	87.5	Confident	82.4	Confident	137 Å²	137	81 Å²	81	64%	0.64	44%	0.44	S	S	*	.	H	α-helix	trans	-59.9	-45.9	175	-173	175.9	5	0	0	111.3	K772 S773 M779 S780	K772-Q776 WeakPolarHBondContact O-CB 3.33Å; K772-Q776 PolarHBondContact O-N 2.62Å; S773-Q776 PolarHBondContact O-N 3.1Å; Q776-M779 PolarHBondContact O-N 3.29Å; Q776-S780 WeakPolarHBondContact O-CB 3.34Å; Q776-S780 PolarHBondContact O-N 2.98Å; Q776-S780 PolarHBondContact O-OG 3.16Å
777	V	88	Confident	82.2	Confident	19 Å²	19	80.3 Å²	80.3	12%	0.115	44%	0.442	C	S	.	.	H	α-helix	trans	-60	-46.7	173.3	173.4	0	0	0	0	110.7	L671 I753 V755 S773 E775 M779 S780 Y781 I788	L671-V777 HydrophobicContact CD1-CG1 3.94Å; I753-V777 HydrophobicContact CD1-CG1 3.86Å; V755-V777 HydrophobicContact CG1-CG2 3.91Å; S773-V777 WeakPolarHBondContact O-CG2 3.28Å; S773-V777 PolarHBondContact O-N 3.27Å; E775-V777 PolarHBondContact O-N 3.01Å; V777-M779 VanDerWaalsContact C-N 3.3Å; V777-M779 PolarHBondContact O-N 2.74Å; V777-S780 PolarHBondContact O-N 2.74Å; V777-Y781 HydrophobicContact CG1-CD2 4.24Å; V777-Y781 HydrophobicContact CG1-CE2 4.48Å; V777-Y781 WeakPolarHBondContact O-CD2 3.36Å; V777-Y781 PolarHBondContact O-N 2.66Å; V777-I788 HydrophobicContact CG1-CD1 3.84Å; V777-I788 HydrophobicContact CG1-CG1 4.12Å
778	K	85.6	Confident	82.2	Confident	142 Å²	142	79.4 Å²	79.4	62%	0.617	44%	0.44	S	S	*	.	H	α-helix	trans	-60.2	-38	178.4	-172.5	176	179.3	179.5	0	112.6	L774 E775 S782	L774-K778 WeakPolarHBondContact O-CB 3.25Å; L774-K778 PolarHBondContact O-N 2.97Å; E775-K778 PolarHBondContact O-N 3.45Å; E775-K778 VanDerWaalsContact O-N 3.16Å; K778-S782 PolarHBondContact O-N 2.81Å
779	M	84.4	Confident	82.4	Confident	147 Å²	147	77.2 Å²	77.2	72%	0.724	43%	0.431	S	S	*	.	H	α-helix	trans	-75.1	-32.5	176.1	-67.5	-164.2	80.4	0	0	113.2	E775 Q776 V777 Y781 S782	E775-M779 WeakPolarHBondContact O-CG 3.37Å; E775-M779 PolarHBondContact O-N 3.06Å; Q776-M779 PolarHBondContact O-N 3.29Å; V777-M779 VanDerWaalsContact C-N 3.3Å; V777-M779 PolarHBondContact O-N 2.74Å; M779-Y781 PolarHBondContact O-N 2.99Å; M779-S782 PolarHBondContact O-N 2.8Å; M779-S782 PolarHBondContact O-OG 2.83Å
780	S	86.1	Confident	82.5	Confident	85 Å²	85	78.9 Å²	78.9	59%	0.594	44%	0.435	S	S	*	.	H	α-helix	trans	-67.7	-17	176.8	-62.3	0	0	0	0	113.7	Q776 V777	Q776-S780 WeakPolarHBondContact O-CB 3.34Å; Q776-S780 PolarHBondContact O-N 2.98Å; Q776-S780 PolarHBondContact O-OG 3.16Å; V777-S780 PolarHBondContact O-N 2.74Å
781	Y	86.1	Confident	82.6	Confident	89 Å²	89	79.8 Å²	79.8	35%	0.349	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	22.8	179.4	-64.5	-86.6	0	0	0	112.5	I753 V777 M779 D783 A784 P789	I753-Y781 HydrophobicContact CD1-CD2 4.19Å; I753-Y781 HydrophobicContact CD1-CE2 3.48Å; I753-Y781 VanDerWaalsContact CD1-CE2 3.48Å; V777-Y781 HydrophobicContact CG1-CD2 4.24Å; V777-Y781 HydrophobicContact CG1-CE2 4.48Å; V777-Y781 WeakPolarHBondContact O-CD2 3.36Å; V777-Y781 PolarHBondContact O-N 2.66Å; M779-Y781 PolarHBondContact O-N 2.99Å; Y781-D783 VanDerWaalsContact C-N 3.3Å; Y781-A784 HydrophobicContact CD1-CB 4.25Å; Y781-P789 HydrophobicContact CE1-CG 4Å
782	S	76.6	Confident	82.6	Confident	79 Å²	79	81.8 Å²	81.8	55%	0.552	45%	0.45	S	S	*	.	S	Bend	trans	-67.3	-33.5	176.8	55.5	0	0	0	0	112.8	K778 M779	K778-S782 PolarHBondContact O-N 2.81Å; M779-S782 PolarHBondContact O-N 2.8Å; M779-S782 PolarHBondContact O-OG 2.83Å
783	D	71.5	Confident	82.5	Confident	153 Å²	153	76.4 Å²	76.4	82%	0.818	43%	0.43	S	S	*	.	S	Bend	trans	-103.9	1.3	-170.5	-52.5	-0.8	0	0	0	111.8	Y781	Y781-D783 VanDerWaalsContact C-N 3.3Å
784	A	73.1	Confident	82.3	Confident	45 Å²	45	77.5 Å²	77.5	37%	0.372	44%	0.436	S	S	.	.	S	Bend	trans	-84.4	128.4	179.7	0	0	0	0	0	110.7	Y781 G786 G787	Y781-A784 HydrophobicContact CD1-CB 4.25Å; A784-G786 PolarHBondContact O-N 3.3Å; A784-G787 PolarHBondContact O-N 3.27Å
785	E	56.2	Low	82.2	Confident	213 Å²	213	82.6 Å²	82.6	100%	0.995	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	109.4	172	-70.3	-172.2	137.9	0	0	110.1
786	G	64	Low	82.2	Confident	83 Å²	83	82 Å²	82	86%	0.856	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.7	-11.3	-175.5	0	0	0	0	0	115.5	A784	A784-G786 PolarHBondContact O-N 3.3Å
787	G	81.2	Confident	82.2	Confident	27 Å²	27	76 Å²	76	28%	0.278	43%	0.434	S	S	.	.	S	Bend	trans	72.6	-137.7	176.7	0	0	0	0	0	114.2	A784	A784-G787 PolarHBondContact O-N 3.27Å
788	I	87.9	Confident	82.1	Confident	17 Å²	17	81.4 Å²	81.4	9%	0.087	46%	0.458	C	S	.	.	S	Bend	trans	-67.7	124.7	-178.9	-72.4	174.2	0	0	0	109.6	W683 S751 I753 V777 L790	W683-I788 HydrophobicContact CD2-CD1 4.29Å; W683-I788 HydrophobicContact CD2-CG2 4.49Å; W683-I788 HydrophobicContact CG-CD1 3.97Å; W683-I788 HydrophobicContact CH2-CG2 4.31Å; W683-I788 HydrophobicContact CZ2-CB 4.07Å; W683-I788 HydrophobicContact CZ2-CG2 3.97Å; S751-I788 WeakPolarHBondContact OG-CG2 3.14Å; I753-I788 HydrophobicContact CD1-CG2 4.31Å; V777-I788 HydrophobicContact CG1-CD1 3.84Å; V777-I788 HydrophobicContact CG1-CG1 4.12Å; I788-L790 PolarHBondContact O-N 2.85Å
789	P	89.1	Confident	82.2	Confident	42 Å²	42	74.7 Å²	74.7	27%	0.273	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-63.9	127.7	-173.1	24.1	-34.5	0	0	0	111.8	S751 S752 I753 Y781	S751-P789 VanDerWaalsContact CA-O 3.25Å; S751-P789 WeakPolarHBondContact CA-O 3.24Å; S751-P789 WeakPolarHBondContact CB-O 3.48Å; S751-P789 PolarHBondContact OG-O 3.44Å; S752-P789 PolarHBondContact N-O 3.38Å; S752-P789 VanDerWaalsContact N-O 3.11Å; S752-P789 PolarHBondContact OG-O 3.02Å; I753-P789 HydrophobicContact CD1-CG 3.93Å; I753-P789 HydrophobicContact CG1-CG 4.05Å; Y781-P789 HydrophobicContact CE1-CG 4Å
790	L	89.3	Confident	82.2	Confident	103 Å²	103	75 Å²	75	54%	0.539	43%	0.428	S	S	.	.	B	Isolated β-bridge	trans	-81.8	160	174.5	-57.6	-177.3	0	0	0	110.8	W683 I750 I788	W683-L790 HydrophobicContact CH2-CD2 3.56Å; W683-L790 HydrophobicContact CZ2-CD2 3.94Å; I750-L790 CarbonylContact O-C 3.56Å; I750-L790 WeakPolarHBondContact O-CA 3.34Å; I788-L790 PolarHBondContact O-N 2.85Å
791	L	89.4	Confident	82.1	Confident	18 Å²	18	73.9 Å²	73.9	9%	0.094	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-72.8	133.9	161.3	-71.4	171.9	0	0	0	109.2	F665 I750 P793 D796 M797	F665-L791 HydrophobicContact CB-CD1 3.88Å; F665-L791 HydrophobicContact CD1-CD1 3.48Å; F665-L791 VanDerWaalsContact CD1-CD1 3.48Å; F665-L791 HydrophobicContact CE1-CD1 4.24Å; F665-L791 HydrophobicContact CG-CD1 3.73Å; I750-L791 HydrophobicContact CB-CD1 4.38Å; I750-L791 HydrophobicContact CG2-CD1 3.62Å; I750-L791 HydrophobicContact CG2-CG 4.41Å; I750-L791 PolarHBondContact O-N 3.1Å; L791-P793 WeakPolarHBondContact O-CD 3.47Å; L791-D796 WeakPolarHBondContact CA-OD2 3.32Å; L791-D796 HydrophobicContact CB-CB 4.21Å; L791-D796 HydrophobicContact CD2-CB 3.86Å; L791-M797 HydrophobicContact CB-CG 4.09Å; L791-M797 HydrophobicContact CB-SD 4.2Å; L791-M797 HydrophobicContact CD1-CG 4.36Å; L791-M797 HydrophobicContact CD1-SD 4.49Å
792	D	86.8	Confident	81.9	Confident	59 Å²	59	74.6 Å²	74.6	32%	0.316	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-71.8	123.4	173.8	-174.1	-56.6	0	0	0	110.3	V794 N795 D796 M797	D792-V794 VanDerWaalsContact C-N 3.25Å; D792-V794 PolarHBondContact O-N 3.37Å; D792-V794 WeakPolarHBondContact OD1-CA 3.29Å; D792-V794 PolarHBondContact OD1-N 3.5Å; D792-N795 HydrophobicContact CB-CB 3.91Å; D792-N795 PolarHBondContact OD1-N 2.93Å; D792-N795 PolarHBondContact OD1-ND2 3.27Å; D792-N795 PolarHBondContact OD2-ND2 3Å; D792-D796 HydrophobicContact CB-CB 4.4Å; D792-D796 PolarHBondContact N-OD2 2.85Å; D792-D796 WeakPolarHBondContact O-CA 3.42Å; D792-D796 WeakPolarHBondContact O-CB 3.41Å; D792-D796 PolarHBondContact O-N 3.2Å; D792-M797 PolarHBondContact O-N 3.37Å
793	P	86.2	Confident	82.3	Confident	29 Å²	29	72.6 Å²	72.6	19%	0.188	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.4	179.9	-29.9	37.9	0	0	0	115.2	L656 L791 M797 H798 I799 F804	L656-P793 HydrophobicContact CD1-CG 4.14Å; L656-P793 HydrophobicContact CD2-CB 3.94Å; L656-P793 HydrophobicContact CD2-CG 3.95Å; L791-P793 WeakPolarHBondContact O-CD 3.47Å; P793-M797 CarbonylContact O-C 3.59Å; P793-M797 WeakPolarHBondContact O-CB 3.36Å; P793-H798 PolarHBondContact O-N 2.98Å; P793-I799 HydrophobicContact CB-CD1 4.31Å; P793-I799 VanDerWaalsContact O-CB 3.24Å; P793-I799 WeakPolarHBondContact O-CB 3.22Å; P793-I799 VanDerWaalsContact O-CG1 3.26Å; P793-I799 WeakPolarHBondContact O-CG1 3.43Å; P793-I799 PolarHBondContact O-N 3.44Å; P793-F804 HydrophobicContact CB-CE1 3.35Å; P793-F804 HydrophobicContact CB-CZ 3.39Å; P793-F804 HydrophobicContact CG-CE1 4.09Å; P793-F804 HydrophobicContact CG-CZ 3.78Å
794	V	84.9	Confident	83.1	Confident	54 Å²	54	65.5 Å²	65.5	33%	0.327	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-48	-174.7	-177.1	0	0	0	0	110.1	D792 H798 F804 K805	D792-V794 VanDerWaalsContact C-N 3.25Å; D792-V794 PolarHBondContact O-N 3.37Å; D792-V794 WeakPolarHBondContact OD1-CA 3.29Å; D792-V794 PolarHBondContact OD1-N 3.5Å; V794-H798 WeakPolarHBondContact O-CA 3.49Å; V794-H798 PolarHBondContact O-N 2.96Å; V794-F804 HydrophobicContact CG2-CE1 4.42Å; V794-K805 HydrophobicContact CG2-CG 4.33Å
795	N	85.1	Confident	83.7	Confident	112 Å²	112	65.6 Å²	65.6	60%	0.599	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-43.1	-174	-62.2	-56.9	0	0	0	112.6	D792 H798	D792-N795 HydrophobicContact CB-CB 3.91Å; D792-N795 PolarHBondContact OD1-N 2.93Å; D792-N795 PolarHBondContact OD1-ND2 3.27Å; D792-N795 PolarHBondContact OD2-ND2 3Å; N795-H798 PolarHBondContact O-CE1 2.84Å; N795-H798 PolarHBondContact O-ND1 2.77Å
796	D	88	Confident	85.2	Confident	70 Å²	70	59.6 Å²	59.6	37%	0.374	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-39.8	-178.2	-62.2	-35.9	0	0	0	112.9	F665 L791 D792	F665-D796 VanDerWaalsContact CZ-O 3.22Å; F665-D796 WeakPolarHBondContact CZ-O 3.19Å; L791-D796 WeakPolarHBondContact CA-OD2 3.32Å; L791-D796 HydrophobicContact CB-CB 4.21Å; L791-D796 HydrophobicContact CD2-CB 3.86Å; D792-D796 HydrophobicContact CB-CB 4.4Å; D792-D796 PolarHBondContact N-OD2 2.85Å; D792-D796 WeakPolarHBondContact O-CA 3.42Å; D792-D796 WeakPolarHBondContact O-CB 3.41Å; D792-D796 PolarHBondContact O-N 3.2Å
797	M	86.8	Confident	86.3	Confident	10 Å²	10	57.5 Å²	57.5	5%	0.049	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.6	-176.4	-61.5	-174.3	62.5	0	0	114.3	L656 Y661 F665 I750 L791 D792 P793 I799	L656-M797 HydrophobicContact CD2-CE 3.95Å; L656-M797 HydrophobicContact CD2-SD 3.6Å; L656-M797 VanDerWaalsContact CD2-SD 3.6Å; Y661-M797 VanDerWaalsContact O-CE 3.32Å; Y661-M797 WeakPolarHBondContact O-CE 3.46Å; F665-M797 HydrophobicContact CD2-CE 3.9Å; F665-M797 HydrophobicContact CD2-CG 4.04Å; F665-M797 HydrophobicContact CE1-CG 4.44Å; F665-M797 HydrophobicContact CE2-CB 3.96Å; F665-M797 HydrophobicContact CE2-CE 4.21Å; F665-M797 HydrophobicContact CE2-CG 3.75Å; F665-M797 HydrophobicContact CZ-CB 4.21Å; F665-M797 HydrophobicContact CZ-CG 3.98Å; I750-M797 HydrophobicContact CD1-CE 3.93Å; I750-M797 HydrophobicContact CD1-SD 4.04Å; L791-M797 HydrophobicContact CB-CG 4.09Å; L791-M797 HydrophobicContact CB-SD 4.2Å; L791-M797 HydrophobicContact CD1-CG 4.36Å; L791-M797 HydrophobicContact CD1-SD 4.49Å; D792-M797 PolarHBondContact O-N 3.37Å; P793-M797 CarbonylContact O-C 3.59Å; P793-M797 WeakPolarHBondContact O-CB 3.36Å; M797-I799 VanDerWaalsContact C-N 3.27Å; M797-I799 HydrophobicContact CB-CG1 4.28Å; M797-I799 PolarHBondContact O-N 3.21Å
798	H	86.7	Confident	86.6	Confident	133 Å²	133	57.7 Å²	57.7	62%	0.616	31%	0.31	S	S	*	.			trans	52.9	39.5	176.9	-52.3	-40.8	0	0	0	113.9	P793 V794 N795 E800	P793-H798 PolarHBondContact O-N 2.98Å; V794-H798 WeakPolarHBondContact O-CA 3.49Å; V794-H798 PolarHBondContact O-N 2.96Å; N795-H798 PolarHBondContact O-CE1 2.84Å; N795-H798 PolarHBondContact O-ND1 2.77Å; H798-E800 PolarHBondContact O-N 2.85Å; H798-E800 VanDerWaalsContact O-N 3.08Å
799	I	87.3	Confident	86.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.			trans	-75.4	98.5	173.5	-59.6	-179.2	0	0	0	109	L656 Y661 P793 M797 D801 F804	L656-I799 HydrophobicContact CD2-CD1 3.64Å; L656-I799 HydrophobicContact CG-CD1 4.24Å; Y661-I799 HydrophobicContact CD1-CD1 4.3Å; Y661-I799 HydrophobicContact CD1-CG1 3.68Å; Y661-I799 HydrophobicContact CD2-CD1 4.09Å; Y661-I799 HydrophobicContact CD2-CG1 4.27Å; Y661-I799 HydrophobicContact CE1-CB 4.45Å; Y661-I799 HydrophobicContact CE1-CG1 3.94Å; Y661-I799 HydrophobicContact CE1-CG2 4.4Å; Y661-I799 HydrophobicContact CE2-CG2 4.43Å; Y661-I799 HydrophobicContact CG-CD1 3.95Å; Y661-I799 HydrophobicContact CG-CG1 3.86Å; P793-I799 HydrophobicContact CB-CD1 4.31Å; P793-I799 VanDerWaalsContact O-CB 3.24Å; P793-I799 WeakPolarHBondContact O-CB 3.22Å; P793-I799 VanDerWaalsContact O-CG1 3.26Å; P793-I799 WeakPolarHBondContact O-CG1 3.43Å; P793-I799 PolarHBondContact O-N 3.44Å; M797-I799 VanDerWaalsContact C-N 3.27Å; M797-I799 HydrophobicContact CB-CG1 4.28Å; M797-I799 PolarHBondContact O-N 3.21Å; I799-D801 VanDerWaalsContact C-N 3.32Å; I799-D801 HydrophobicContact CG2-CB 3.94Å; I799-F804 HydrophobicContact CB-CD1 4.49Å; I799-F804 HydrophobicContact CG2-CB 4.08Å; I799-F804 HydrophobicContact CG2-CD1 3.93Å; I799-F804 HydrophobicContact CG2-CD2 4.5Å; I799-F804 HydrophobicContact CG2-CG 3.89Å
800	E	83.9	Confident	86.6	Confident	153 Å²	153	63 Å²	63	72%	0.715	33%	0.327	S	S	*	.			trans	-83.5	-3.4	179.2	-66.5	-168.9	163.9	0	0	114.5	H798 E802 K805	H798-E800 PolarHBondContact O-N 2.85Å; H798-E800 VanDerWaalsContact O-N 3.08Å; E800-E802 PolarHBondContact O-N 3.05Å; E800-K805 WeakPolarHBondContact O-CE 3.46Å; E800-K805 PolarHBondContact O-NZ 2.85Å
801	D	84.6	Confident	86.6	Confident	62 Å²	62	58.5 Å²	58.5	33%	0.332	30%	0.304	S	S	.	.			trans	-54.9	117.5	179.4	-173.6	-60.7	0	0	0	111.5	I799 G803 F804 K805	I799-D801 VanDerWaalsContact C-N 3.32Å; I799-D801 HydrophobicContact CG2-CB 3.94Å; D801-G803 VanDerWaalsContact C-N 3.35Å; D801-G803 PolarHBondContact O-N 3.43Å; D801-G803 WeakPolarHBondContact OD1-CA 3.42Å; D801-G803 PolarHBondContact OD1-N 3.1Å; D801-F804 HydrophobicContact CB-CB 3.92Å; D801-F804 WeakPolarHBondContact O-CB 3.22Å; D801-F804 PolarHBondContact O-N 3.38Å; D801-F804 PolarHBondContact OD1-N 2.84Å; D801-K805 WeakPolarHBondContact O-CG 3.32Å; D801-K805 PolarHBondContact O-N 2.92Å
802	E	81.9	Confident	86.5	Confident	104 Å²	104	62.2 Å²	62.2	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-36.1	-177.5	-75.2	-64.1	121	0	0	112.2	E800 F804 K805 E806	E800-E802 PolarHBondContact O-N 3.05Å; E802-F804 VanDerWaalsContact C-N 3.32Å; E802-F804 PolarHBondContact O-N 2.96Å; E802-K805 PolarHBondContact O-N 3.04Å; E802-K805 VanDerWaalsContact OE1-CD 3.23Å; E802-K805 WeakPolarHBondContact OE1-CD 3.19Å; E802-K805 IonicContact OE1-NZ 3.17Å; E802-K805 PolarHBondContact OE1-NZ 3.16Å; E802-E806 WeakPolarHBondContact O-CB 3.35Å; E802-E806 WeakPolarHBondContact O-CG 3.25Å; E802-E806 PolarHBondContact O-N 2.94Å
803	G	84.1	Confident	86.7	Confident	38 Å²	38	62.8 Å²	62.8	39%	0.392	33%	0.326	S	S	.	.	H	α-helix	trans	-64.4	-38.1	175.8	0	0	0	0	0	111.9	D801 T807	D801-G803 VanDerWaalsContact C-N 3.35Å; D801-G803 PolarHBondContact O-N 3.43Å; D801-G803 WeakPolarHBondContact OD1-CA 3.42Å; D801-G803 PolarHBondContact OD1-N 3.1Å; G803-T807 WeakPolarHBondContact O-CB 3.33Å; G803-T807 PolarHBondContact O-N 3.09Å; G803-T807 PolarHBondContact O-OG1 3.46Å
804	F	87.9	Confident	86.9	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-47.5	171.8	-176.1	-84.9	0	0	0	112.1	M652 V655 L656 P793 V794 I799 D801 E802 E806 T807 A808	M652-F804 HydrophobicContact CB-CD2 4.48Å; M652-F804 HydrophobicContact CB-CE2 3.72Å; M652-F804 HydrophobicContact CB-CZ 4.29Å; M652-F804 HydrophobicContact CE-CE1 4.06Å; M652-F804 HydrophobicContact CE-CE2 4.06Å; M652-F804 HydrophobicContact CE-CZ 3.54Å; M652-F804 HydrophobicContact CG-CD2 4.36Å; M652-F804 HydrophobicContact CG-CE2 3.9Å; M652-F804 HydrophobicContact CG-CZ 4.36Å; V655-F804 HydrophobicContact CB-CD2 3.77Å; V655-F804 HydrophobicContact CB-CE2 4.24Å; V655-F804 HydrophobicContact CG1-CB 4.49Å; V655-F804 HydrophobicContact CG1-CD2 3.7Å; V655-F804 HydrophobicContact CG1-CE2 4.39Å; V655-F804 HydrophobicContact CG1-CG 4.37Å; V655-F804 HydrophobicContact CG2-CD2 4.27Å; L656-F804 HydrophobicContact CD1-CE2 4.4Å; L656-F804 HydrophobicContact CD1-CZ 4.36Å; L656-F804 HydrophobicContact CG-CE2 4.16Å; L656-F804 HydrophobicContact CG-CZ 4.31Å; P793-F804 HydrophobicContact CB-CE1 3.35Å; P793-F804 HydrophobicContact CB-CZ 3.39Å; P793-F804 HydrophobicContact CG-CE1 4.09Å; P793-F804 HydrophobicContact CG-CZ 3.78Å; V794-F804 HydrophobicContact CG2-CE1 4.42Å; I799-F804 HydrophobicContact CB-CD1 4.49Å; I799-F804 HydrophobicContact CG2-CB 4.08Å; I799-F804 HydrophobicContact CG2-CD1 3.93Å; I799-F804 HydrophobicContact CG2-CD2 4.5Å; I799-F804 HydrophobicContact CG2-CG 3.89Å; D801-F804 HydrophobicContact CB-CB 3.92Å; D801-F804 WeakPolarHBondContact O-CB 3.22Å; D801-F804 PolarHBondContact O-N 3.38Å; D801-F804 PolarHBondContact OD1-N 2.84Å; E802-F804 VanDerWaalsContact C-N 3.32Å; E802-F804 PolarHBondContact O-N 2.96Å; F804-E806 VanDerWaalsContact C-N 3.34Å; F804-E806 PolarHBondContact O-N 3.04Å; F804-T807 PolarHBondContact O-N 2.96Å; F804-A808 HydrophobicContact CE1-CB 4.47Å; F804-A808 WeakPolarHBondContact O-CB 3.29Å; F804-A808 PolarHBondContact O-N 2.77Å
805	K	86.6	Confident	87.1	Confident	46 Å²	46	62.9 Å²	62.9	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-63.1	-37.4	178.6	-71.2	162.1	176	161.3	0	112.7	V794 E800 D801 E802 K809	V794-K805 HydrophobicContact CG2-CG 4.33Å; E800-K805 WeakPolarHBondContact O-CE 3.46Å; E800-K805 PolarHBondContact O-NZ 2.85Å; D801-K805 WeakPolarHBondContact O-CG 3.32Å; D801-K805 PolarHBondContact O-N 2.92Å; E802-K805 PolarHBondContact O-N 3.04Å; E802-K805 VanDerWaalsContact OE1-CD 3.23Å; E802-K805 WeakPolarHBondContact OE1-CD 3.19Å; E802-K805 IonicContact OE1-NZ 3.17Å; E802-K805 PolarHBondContact OE1-NZ 3.16Å; K805-K809 WeakPolarHBondContact O-CG 3.19Å; K805-K809 PolarHBondContact O-N 3.01Å; K805-K809 VanDerWaalsContact O-N 3.16Å
806	E	86.8	Confident	87.3	Confident	88 Å²	88	63.4 Å²	63.4	41%	0.411	32%	0.317	S	S	.	.	H	α-helix	trans	-68.2	-44	174.9	-73	-174.7	162.4	0	0	111	R43 E802 F804 A808 K809 Y810	R43-E806 IonicContact CZ-OE1 2.76Å; R43-E806 IonicContact NH1-OE1 2.78Å; R43-E806 PolarHBondContact NH1-OE1 3.17Å; R43-E806 IonicContact NH2-OE1 2.78Å; E802-E806 WeakPolarHBondContact O-CB 3.35Å; E802-E806 WeakPolarHBondContact O-CG 3.25Å; E802-E806 PolarHBondContact O-N 2.94Å; F804-E806 VanDerWaalsContact C-N 3.34Å; F804-E806 PolarHBondContact O-N 3.04Å; E806-A808 PolarHBondContact O-N 2.92Å; E806-K809 PolarHBondContact O-N 3.49Å; E806-Y810 WeakPolarHBondContact O-CB 3.38Å; E806-Y810 PolarHBondContact O-N 3.45Å
807	T	87.6	Confident	87.3	Confident	39 Å²	39	62.2 Å²	62.2	24%	0.239	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-45.7	174	-56.4	0	0	0	0	111.7	L648 M652 G803 F804 K809 Y810 V811	L648-T807 HydrophobicContact CB-CG2 4.24Å; L648-T807 HydrophobicContact CD2-CG2 4.15Å; M652-T807 HydrophobicContact CG-CG2 3.66Å; M652-T807 HydrophobicContact SD-CG2 4.05Å; G803-T807 WeakPolarHBondContact O-CB 3.33Å; G803-T807 PolarHBondContact O-N 3.09Å; G803-T807 PolarHBondContact O-OG1 3.46Å; F804-T807 PolarHBondContact O-N 2.96Å; T807-K809 PolarHBondContact O-N 3.21Å; T807-Y810 PolarHBondContact O-N 3.27Å; T807-V811 WeakPolarHBondContact O-CG2 3.25Å; T807-V811 PolarHBondContact O-N 3.24Å
808	A	86.8	Confident	87.4	Confident	30 Å²	30	62.7 Å²	62.7	25%	0.248	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-45.9	178.8	0	0	0	0	0	112.5	M652 F804 E806 Y810 V811 E812	M652-A808 HydrophobicContact CE-CB 3.62Å; M652-A808 HydrophobicContact SD-CB 4.38Å; F804-A808 HydrophobicContact CE1-CB 4.47Å; F804-A808 WeakPolarHBondContact O-CB 3.29Å; F804-A808 PolarHBondContact O-N 2.77Å; E806-A808 PolarHBondContact O-N 2.92Å; A808-Y810 VanDerWaalsContact C-N 3.32Å; A808-Y810 PolarHBondContact O-N 2.94Å; A808-V811 PolarHBondContact O-N 2.97Å; A808-E812 PolarHBondContact O-N 3.24Å
809	K	87.9	Confident	87.3	Confident	123 Å²	123	59.6 Å²	59.6	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-63.4	-37.7	174.8	-72.7	168.1	-176	164.6	0	112	K805 E806 T807 E812 V813	K805-K809 WeakPolarHBondContact O-CG 3.19Å; K805-K809 PolarHBondContact O-N 3.01Å; K805-K809 VanDerWaalsContact O-N 3.16Å; E806-K809 PolarHBondContact O-N 3.49Å; T807-K809 PolarHBondContact O-N 3.21Å; K809-E812 PolarHBondContact O-N 3.28Å; K809-V813 WeakPolarHBondContact O-CG2 3.36Å; K809-V813 PolarHBondContact O-N 2.87Å
810	Y	89.4	Confident	87.3	Confident	48 Å²	48	62.8 Å²	62.8	19%	0.188	33%	0.328	C	S	.	.	H	α-helix	trans	-68.4	-39.6	178.7	-169.2	-126.1	0	0	0	111.8	L648 E806 T807 A808 E812 V813 L814	L648-Y810 HydrophobicContact CD1-CD1 3.66Å; L648-Y810 HydrophobicContact CD1-CE1 4Å; E806-Y810 WeakPolarHBondContact O-CB 3.38Å; E806-Y810 PolarHBondContact O-N 3.45Å; T807-Y810 PolarHBondContact O-N 3.27Å; A808-Y810 VanDerWaalsContact C-N 3.32Å; A808-Y810 PolarHBondContact O-N 2.94Å; Y810-E812 PolarHBondContact O-N 3.31Å; Y810-V813 PolarHBondContact O-N 3.43Å; Y810-L814 HydrophobicContact CD1-CD1 4Å; Y810-L814 HydrophobicContact CE1-CD1 3.74Å; Y810-L814 HydrophobicContact CE1-CG 4.39Å; Y810-L814 HydrophobicContact CE2-CG 4.42Å; Y810-L814 WeakPolarHBondContact O-CG 3.41Å; Y810-L814 PolarHBondContact O-N 3.33Å
811	V	89.4	Confident	87.5	Confident	8 Å²	8	56.9 Å²	56.9	5%	0.048	30%	0.301	C	S	.	.	H	α-helix	trans	-58.5	-46	169.9	170.2	0	0	0	0	111.2	I645 L648 K649 M652 T807 A808 V813 L814 E815	I645-V811 HydrophobicContact CG2-CG1 4.26Å; L648-V811 HydrophobicContact CB-CG2 3.59Å; L648-V811 HydrophobicContact CD1-CG2 4.08Å; L648-V811 HydrophobicContact CG-CG2 4.5Å; K649-V811 HydrophobicContact CG-CG1 4.34Å; M652-V811 HydrophobicContact SD-CG2 4.02Å; T807-V811 WeakPolarHBondContact O-CG2 3.25Å; T807-V811 PolarHBondContact O-N 3.24Å; A808-V811 PolarHBondContact O-N 2.97Å; V811-V813 VanDerWaalsContact C-N 3.31Å; V811-V813 PolarHBondContact O-N 3.26Å; V811-L814 PolarHBondContact O-N 2.88Å; V811-E815 HydrophobicContact CG1-CG 4.28Å; V811-E815 WeakPolarHBondContact O-CB 3.23Å; V811-E815 WeakPolarHBondContact O-CG 3.4Å; V811-E815 PolarHBondContact O-N 3.43Å
812	E	88.6	Confident	87.5	Confident	96 Å²	96	58 Å²	58	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-38.1	177.7	-163.9	-161.7	158.6	0	0	112.6	A808 K809 Y810 K816	A808-E812 PolarHBondContact O-N 3.24Å; K809-E812 PolarHBondContact O-N 3.28Å; Y810-E812 PolarHBondContact O-N 3.31Å; E812-K816 WeakPolarHBondContact O-CG 3.43Å; E812-K816 PolarHBondContact O-N 3.19Å; E812-K816 VanDerWaalsContact O-N 3.15Å; E812-K816 WeakPolarHBondContact OE1-CE 3.21Å; E812-K816 IonicContact OE1-NZ 3.45Å; E812-K816 PolarHBondContact OE1-NZ 2.69Å
813	V	90.6	Very high	87.6	Confident	71 Å²	71	53.2 Å²	53.2	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-66.2	-46.9	174.4	170.2	0	0	0	0	111	K809 Y810 V811 E815 K816 Q817	K809-V813 WeakPolarHBondContact O-CG2 3.36Å; K809-V813 PolarHBondContact O-N 2.87Å; Y810-V813 PolarHBondContact O-N 3.43Å; V811-V813 VanDerWaalsContact C-N 3.31Å; V811-V813 PolarHBondContact O-N 3.26Å; V813-E815 VanDerWaalsContact C-N 3.34Å; V813-E815 PolarHBondContact O-N 3.43Å; V813-K816 PolarHBondContact O-N 3.39Å; V813-Q817 PolarHBondContact O-N 3.36Å
814	L	90.4	Very high	87.5	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-35.6	178.5	-68.4	174.8	0	0	0	112.2	V641 K644 I645 L648 Y810 V811 Q817 L818	V641-L814 HydrophobicContact CG1-CB 4.38Å; V641-L814 HydrophobicContact CG1-CD2 4.39Å; K644-L814 HydrophobicContact CG-CD1 4.35Å; I645-L814 HydrophobicContact CD1-CB 3.91Å; I645-L814 HydrophobicContact CG1-CB 3.64Å; I645-L814 HydrophobicContact CG1-CD1 4.28Å; L648-L814 HydrophobicContact CD1-CD1 3.74Å; Y810-L814 HydrophobicContact CD1-CD1 4Å; Y810-L814 HydrophobicContact CE1-CD1 3.74Å; Y810-L814 HydrophobicContact CE1-CG 4.39Å; Y810-L814 HydrophobicContact CE2-CG 4.42Å; Y810-L814 WeakPolarHBondContact O-CG 3.41Å; Y810-L814 PolarHBondContact O-N 3.33Å; V811-L814 PolarHBondContact O-N 2.88Å; L814-Q817 PolarHBondContact O-N 3.48Å; L814-L818 VanDerWaalsContact O-CB 3.27Å; L814-L818 WeakPolarHBondContact O-CB 3.5Å; L814-L818 PolarHBondContact O-N 3.45Å
815	E	89.6	Confident	87.3	Confident	78 Å²	78	64.6 Å²	64.6	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-38.2	175	-74.7	-177.7	151.1	0	0	112.5	I645 K649 V811 V813 L818 S819	I645-E815 HydrophobicContact CD1-CG 4.02Å; I645-E815 HydrophobicContact CG1-CG 4.48Å; I645-E815 HydrophobicContact CG2-CG 4.26Å; K649-E815 WeakPolarHBondContact CE-OE1 3.19Å; K649-E815 IonicContact NZ-OE1 2.76Å; K649-E815 PolarHBondContact NZ-OE1 3.27Å; V811-E815 HydrophobicContact CG1-CG 4.28Å; V811-E815 WeakPolarHBondContact O-CB 3.23Å; V811-E815 WeakPolarHBondContact O-CG 3.4Å; V811-E815 PolarHBondContact O-N 3.43Å; V813-E815 VanDerWaalsContact C-N 3.34Å; V813-E815 PolarHBondContact O-N 3.43Å; E815-L818 PolarHBondContact O-N 2.95Å; E815-S819 WeakPolarHBondContact O-CB 3.4Å; E815-S819 PolarHBondContact O-N 2.88Å; E815-S819 PolarHBondContact O-OG 3.02Å
816	K	88.5	Confident	87.1	Confident	122 Å²	122	64.3 Å²	64.3	53%	0.53	33%	0.327	S	S	.	.	H	α-helix	trans	-65.8	-39.8	171.3	-73.4	171.1	-171.7	169.8	0	111.7	E812 V813 S819 S820	E812-K816 WeakPolarHBondContact O-CG 3.43Å; E812-K816 PolarHBondContact O-N 3.19Å; E812-K816 VanDerWaalsContact O-N 3.15Å; E812-K816 WeakPolarHBondContact OE1-CE 3.21Å; E812-K816 IonicContact OE1-NZ 3.45Å; E812-K816 PolarHBondContact OE1-NZ 2.69Å; V813-K816 PolarHBondContact O-N 3.39Å; K816-S819 WeakPolarHBondContact CA-OG 3.35Å; K816-S819 PolarHBondContact O-OG 3.26Å; K816-S819 VanDerWaalsContact O-OG 3.08Å; K816-S820 WeakPolarHBondContact O-CB 3.28Å; K816-S820 PolarHBondContact O-N 2.85Å
817	Q	88.2	Confident	86.9	Confident	46 Å²	46	66.9 Å²	66.9	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-63	-50.8	173.8	-173.3	175.7	-8.2	0	0	110.9	V813 L814 S819 S820 M821	V813-Q817 PolarHBondContact O-N 3.36Å; L814-Q817 PolarHBondContact O-N 3.48Å; Q817-S819 PolarHBondContact O-N 2.86Å; Q817-S820 WeakPolarHBondContact O-CB 3.44Å; Q817-S820 PolarHBondContact O-N 2.86Å; Q817-S820 PolarHBondContact O-OG 3.01Å; Q817-M821 VanDerWaalsContact O-CG 3.28Å; Q817-M821 WeakPolarHBondContact O-CG 3.06Å; Q817-M821 PolarHBondContact O-N 3.25Å
818	L	88	Confident	86.8	Confident	19 Å²	19	67.8 Å²	67.8	10%	0.099	36%	0.355	C	S	.	.	H	α-helix	trans	-58.6	-41.6	-179.7	-171.1	78.1	0	0	0	112.7	Y638 V641 K642 I645 L814 E815 S820 M821	Y638-L818 HydrophobicContact CD1-CD1 4.47Å; Y638-L818 HydrophobicContact CD2-CD1 3.46Å; Y638-L818 VanDerWaalsContact CD2-CD1 3.46Å; Y638-L818 HydrophobicContact CD2-CG 4.09Å; Y638-L818 HydrophobicContact CE1-CD1 4.43Å; Y638-L818 HydrophobicContact CE2-CD1 3.41Å; Y638-L818 VanDerWaalsContact CE2-CD1 3.41Å; Y638-L818 HydrophobicContact CE2-CD2 4.3Å; Y638-L818 HydrophobicContact CE2-CG 3.57Å; Y638-L818 HydrophobicContact CG-CD1 4Å; Y638-L818 WeakPolarHBondContact O-CD1 3.25Å; V641-L818 HydrophobicContact CB-CD1 3.89Å; V641-L818 HydrophobicContact CG1-CB 4.06Å; V641-L818 HydrophobicContact CG1-CD1 3.84Å; K642-L818 HydrophobicContact CB-CD1 4.26Å; I645-L818 HydrophobicContact CD1-CB 4.16Å; I645-L818 HydrophobicContact CD1-CD2 3.89Å; I645-L818 HydrophobicContact CD1-CG 4.49Å; L814-L818 VanDerWaalsContact O-CB 3.27Å; L814-L818 WeakPolarHBondContact O-CB 3.5Å; L814-L818 PolarHBondContact O-N 3.45Å; E815-L818 PolarHBondContact O-N 2.95Å; L818-S820 VanDerWaalsContact C-N 3.3Å; L818-S820 PolarHBondContact O-N 2.88Å; L818-M821 HydrophobicContact CD1-SD 4.22Å
819	S	85.7	Confident	86.8	Confident	68 Å²	68	67.8 Å²	67.8	48%	0.476	35%	0.349	S	S	.	.	H	α-helix	trans	-72	-22	176.7	52.9	0	0	0	0	113.5	E815 K816 Q817	E815-S819 WeakPolarHBondContact O-CB 3.4Å; E815-S819 PolarHBondContact O-N 2.88Å; E815-S819 PolarHBondContact O-OG 3.02Å; K816-S819 WeakPolarHBondContact CA-OG 3.35Å; K816-S819 PolarHBondContact O-OG 3.26Å; K816-S819 VanDerWaalsContact O-OG 3.08Å; Q817-S819 PolarHBondContact O-N 2.86Å
820	S	87.4	Confident	86.6	Confident	68 Å²	68	69.9 Å²	69.9	48%	0.476	36%	0.361	S	S	.	.	H	α-helix	trans	-83.1	-18.8	177.9	78.1	0	0	0	0	114.8	K816 Q817 L818	K816-S820 WeakPolarHBondContact O-CB 3.28Å; K816-S820 PolarHBondContact O-N 2.85Å; Q817-S820 WeakPolarHBondContact O-CB 3.44Å; Q817-S820 PolarHBondContact O-N 2.86Å; Q817-S820 PolarHBondContact O-OG 3.01Å; L818-S820 VanDerWaalsContact C-N 3.3Å; L818-S820 PolarHBondContact O-N 2.88Å
821	M	86.9	Confident	86.5	Confident	29 Å²	29	70.2 Å²	70.2	14%	0.143	37%	0.37	C	S	.	.			trans	-59.9	138.2	-169.8	-59.4	-172.6	83.8	0	0	112.8	Y638 Q817 L818 V823 R824	Y638-M821 HydrophobicContact CD2-SD 3.88Å; Y638-M821 HydrophobicContact CG-SD 4.46Å; Q817-M821 VanDerWaalsContact O-CG 3.28Å; Q817-M821 WeakPolarHBondContact O-CG 3.06Å; Q817-M821 PolarHBondContact O-N 3.25Å; L818-M821 HydrophobicContact CD1-SD 4.22Å; M821-V823 PolarHBondContact O-N 2.69Å; M821-R824 PolarHBondContact O-N 3.11Å
822	P	84.7	Confident	86.4	Confident	86 Å²	86	70.1 Å²	70.1	56%	0.558	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-56.8	-45.2	-174.9	-25.5	34.4	0	0	0	114	R824 K825	P822-R824 PolarHBondContact O-N 2.86Å; P822-R824 VanDerWaalsContact O-N 3.09Å; P822-K825 WeakPolarHBondContact O-CB 3.48Å; P822-K825 PolarHBondContact O-N 3.33Å
823	V	83.9	Confident	86.3	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.012	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-52.7	-32	179.5	76.9	0	0	0	0	114.2	N631 E634 L635 Y638 M821 K825 T826 F829	N631-V823 HydrophobicContact CB-CG2 4.3Å; E634-V823 HydrophobicContact CB-CB 3.86Å; E634-V823 HydrophobicContact CB-CG1 4.36Å; E634-V823 HydrophobicContact CB-CG2 4.12Å; E634-V823 WeakPolarHBondContact OE2-CB 3.34Å; E634-V823 PolarHBondContact OE2-N 3.05Å; L635-V823 HydrophobicContact CD2-CG1 4.43Å; L635-V823 HydrophobicContact CD2-CG2 3.54Å; L635-V823 HydrophobicContact CG-CG2 3.86Å; Y638-V823 HydrophobicContact CD2-CG1 4.22Å; Y638-V823 HydrophobicContact CG-CG1 4.29Å; M821-V823 PolarHBondContact O-N 2.69Å; V823-K825 PolarHBondContact O-N 3.37Å; V823-T826 PolarHBondContact O-N 2.84Å; V823-T826 PolarHBondContact O-OG1 2.99Å; V823-F829 HydrophobicContact CG1-CD2 4.47Å; V823-F829 HydrophobicContact CG1-CE2 4.25Å; V823-F829 HydrophobicContact CG2-CD2 4.3Å; V823-F829 WeakPolarHBondContact O-CD2 3.32Å
824	R	82.7	Confident	86.2	Confident	121 Å²	121	68.8 Å²	68.8	46%	0.457	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-71.2	-13	178.9	-168	173.7	175.6	129.7	-1.6	113.2	Y638 M821 P822 F829	Y638-R824 HydrophobicContact CE2-CB 4.45Å; Y638-R824 PolarHBondContact OH-NH1 2.83Å; M821-R824 PolarHBondContact O-N 3.11Å; P822-R824 PolarHBondContact O-N 2.86Å; P822-R824 VanDerWaalsContact O-N 3.09Å; R824-F829 HydrophobicContact CG-CE1 4.32Å; R824-F829 HydrophobicContact CG-CZ 4.45Å
825	K	83.7	Confident	86.1	Confident	161 Å²	161	73 Å²	73	70%	0.7	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-99.3	-0.7	179.4	-59.2	174.9	-176.2	165	0	112.8	P822 V823	P822-K825 WeakPolarHBondContact O-CB 3.48Å; P822-K825 PolarHBondContact O-N 3.33Å; V823-K825 PolarHBondContact O-N 3.37Å
826	T	83.3	Confident	86.1	Confident	39 Å²	39	69.6 Å²	69.6	24%	0.239	36%	0.361	C	S	.	.	S	Bend	trans	-78.2	142.9	175.5	74.6	0	0	0	0	110.2	V823 D828 F829	V823-T826 PolarHBondContact O-N 2.84Å; V823-T826 PolarHBondContact O-OG1 2.99Å; T826-D828 WeakPolarHBondContact CB-OD1 3.46Å; T826-D828 PolarHBondContact O-N 3.33Å; T826-D828 PolarHBondContact OG1-OD1 2.89Å; T826-F829 WeakPolarHBondContact O-CB 3.32Å; T826-F829 PolarHBondContact O-N 2.96Å
827	P	82.4	Confident	86.1	Confident	143 Å²	143	68 Å²	68	93%	0.929	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.1	-175.8	29.4	-36.2	0	0	0	113.5
828	D	84.8	Confident	86.2	Confident	58 Å²	58	70.7 Å²	70.7	31%	0.31	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	1.8	177.7	70.3	-47.6	0	0	0	113.4	T826 E830 S831 S832	T826-D828 WeakPolarHBondContact CB-OD1 3.46Å; T826-D828 PolarHBondContact O-N 3.33Å; T826-D828 PolarHBondContact OG1-OD1 2.89Å; D828-E830 VanDerWaalsContact C-N 3.32Å; D828-E830 PolarHBondContact O-N 2.78Å; D828-E830 VanDerWaalsContact O-N 3.15Å; D828-S831 PolarHBondContact O-N 3.39Å; D828-S832 PolarHBondContact O-N 2.83Å; D828-S832 PolarHBondContact OD2-OG 2.78Å
829	F	86	Confident	86.4	Confident	29 Å²	29	70.8 Å²	70.8	13%	0.127	37%	0.368	C	S	.	.	H	α-helix	trans	-48.2	-47.9	-170	171.8	-105.7	0	0	0	113.5	L635 Y638 V823 R824 T826 S831 S832 M833	L635-F829 HydrophobicContact CD2-CD2 4.24Å; L635-F829 HydrophobicContact CD2-CE2 4.02Å; Y638-F829 HydrophobicContact CD1-CE2 4.37Å; Y638-F829 HydrophobicContact CD1-CZ 4.29Å; Y638-F829 HydrophobicContact CE1-CE2 4.21Å; Y638-F829 AromaticContact CE1-CZ 3.69Å; Y638-F829 HydrophobicContact CE1-CZ 3.69Å; Y638-F829 HydrophobicContact CE2-CZ 4.19Å; Y638-F829 AromaticContact CZ-CZ 3.63Å; V823-F829 HydrophobicContact CG1-CD2 4.47Å; V823-F829 HydrophobicContact CG1-CE2 4.25Å; V823-F829 HydrophobicContact CG2-CD2 4.3Å; V823-F829 WeakPolarHBondContact O-CD2 3.32Å; R824-F829 HydrophobicContact CG-CE1 4.32Å; R824-F829 HydrophobicContact CG-CZ 4.45Å; T826-F829 WeakPolarHBondContact O-CB 3.32Å; T826-F829 PolarHBondContact O-N 2.96Å; F829-S831 PolarHBondContact O-N 3.16Å; F829-S832 PolarHBondContact O-N 2.79Å; F829-M833 HydrophobicContact CE2-CB 4.47Å; F829-M833 HydrophobicContact CE2-SD 4.35Å; F829-M833 HydrophobicContact CZ-CB 4.44Å; F829-M833 HydrophobicContact CZ-CG 4.43Å; F829-M833 HydrophobicContact CZ-SD 4.27Å; F829-M833 WeakPolarHBondContact O-CB 3.44Å; F829-M833 PolarHBondContact O-N 3.14Å
830	E	85.2	Confident	86.5	Confident	167 Å²	167	72.7 Å²	72.7	78%	0.78	36%	0.364	S	S	*	.	H	α-helix	trans	-63.7	-43.5	-178.5	-65.6	-173.7	157.4	0	0	112.4	D828 M833 E834	D828-E830 VanDerWaalsContact C-N 3.32Å; D828-E830 PolarHBondContact O-N 2.78Å; D828-E830 VanDerWaalsContact O-N 3.15Å; E830-M833 PolarHBondContact O-N 3.42Å; E830-E834 WeakPolarHBondContact O-CB 3.5Å; E830-E834 PolarHBondContact O-N 3.03Å
831	S	86.4	Confident	86.6	Confident	55 Å²	55	74.7 Å²	74.7	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-73.1	-36.1	179.9	-173	0	0	0	0	112.6	D828 F829 K835	D828-S831 PolarHBondContact O-N 3.39Å; F829-S831 PolarHBondContact O-N 3.16Å; S831-K835 WeakPolarHBondContact O-CG 3.31Å; S831-K835 PolarHBondContact O-N 3.4Å
832	S	87.5	Confident	86.9	Confident	7 Å²	7	74.3 Å²	74.3	5%	0.049	37%	0.365	C	S	.	.	H	α-helix	trans	-71.6	-33.9	175	-71.6	0	0	0	0	111.4	D828 F829 F836	D828-S832 PolarHBondContact O-N 2.83Å; D828-S832 PolarHBondContact OD2-OG 2.78Å; F829-S832 PolarHBondContact O-N 2.79Å; S832-F836 WeakPolarHBondContact O-CB 3.39Å; S832-F836 PolarHBondContact O-N 2.78Å
833	M	86.9	Confident	87.3	Confident	14 Å²	14	73.1 Å²	73.1	7%	0.069	35%	0.352	C	S	.	.	H	α-helix	trans	-68.1	-44	171.8	-173.4	77.9	-170.8	0	0	112.2	L635 Y638 C639 K642 F829 E830 F836 E837	L635-M833 HydrophobicContact CD2-SD 4.11Å; Y638-M833 HydrophobicContact CD1-CE 4.12Å; Y638-M833 HydrophobicContact CD1-SD 3.91Å; Y638-M833 HydrophobicContact CE1-CE 4.03Å; Y638-M833 HydrophobicContact CE1-SD 4Å; C639-M833 WeakPolarHBondContact SG-CE 3.4Å; K642-M833 HydrophobicContact CD-CE 4.25Å; F829-M833 HydrophobicContact CE2-CB 4.47Å; F829-M833 HydrophobicContact CE2-SD 4.35Å; F829-M833 HydrophobicContact CZ-CB 4.44Å; F829-M833 HydrophobicContact CZ-CG 4.43Å; F829-M833 HydrophobicContact CZ-SD 4.27Å; F829-M833 WeakPolarHBondContact O-CB 3.44Å; F829-M833 PolarHBondContact O-N 3.14Å; E830-M833 PolarHBondContact O-N 3.42Å; M833-F836 WeakPolarHBondContact O-CB 3.25Å; M833-F836 PolarHBondContact O-N 2.99Å; M833-F836 VanDerWaalsContact O-N 3.1Å; M833-E837 HydrophobicContact CE-CG 3.96Å; M833-E837 WeakPolarHBondContact CE-OE1 3.27Å; M833-E837 PolarHBondContact O-N 3.08Å
834	E	87.6	Confident	87.6	Confident	125 Å²	125	76.4 Å²	76.4	58%	0.584	38%	0.375	S	S	*	.	H	α-helix	trans	-57.7	-50.6	176.8	-176.8	176.6	-145.9	0	0	110.9	E830 F836 E837 E838	E830-E834 WeakPolarHBondContact O-CB 3.5Å; E830-E834 PolarHBondContact O-N 3.03Å; E834-F836 VanDerWaalsContact C-N 3.26Å; E834-F836 PolarHBondContact O-N 3.04Å; E834-E837 PolarHBondContact O-N 3.47Å; E834-E838 PolarHBondContact O-N 3.19Å
835	K	88.6	Confident	88.1	Confident	95 Å²	95	76.6 Å²	76.6	41%	0.413	38%	0.375	S	S	.	.	H	α-helix	trans	-61.3	-32.5	174.1	-70.3	174.1	-179.9	172.8	0	113.3	V629 S831 K839	V629-K835 HydrophobicContact CG2-CB 4.2Å; S831-K835 WeakPolarHBondContact O-CG 3.31Å; S831-K835 PolarHBondContact O-N 3.4Å; K835-K839 WeakPolarHBondContact O-CB 3.31Å; K835-K839 PolarHBondContact O-N 3.1Å
836	F	90	Very high	88.5	Confident	7 Å²	7	69.1 Å²	69.1	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-71.2	-40.7	175.9	-171.2	-113.1	0	0	0	112.3	V629 E632 L635 T636 C639 S832 M833 E834 K839 R840	V629-F836 HydrophobicContact CG1-CB 3.97Å; V629-F836 HydrophobicContact CG1-CD2 4.16Å; E632-F836 HydrophobicContact CG-CD2 3.98Å; E632-F836 HydrophobicContact CG-CE2 3.66Å; L635-F836 HydrophobicContact CB-CB 4.47Å; L635-F836 HydrophobicContact CB-CD1 3.88Å; L635-F836 HydrophobicContact CB-CD2 4.2Å; L635-F836 HydrophobicContact CB-CE1 4.13Å; L635-F836 HydrophobicContact CB-CE2 4.46Å; L635-F836 HydrophobicContact CB-CG 3.91Å; L635-F836 HydrophobicContact CB-CZ 4.43Å; L635-F836 HydrophobicContact CD1-CB 3.98Å; L635-F836 HydrophobicContact CD1-CG 4.24Å; T636-F836 VanDerWaalsContact OG1-CZ 3.27Å; T636-F836 WeakPolarHBondContact OG1-CZ 3.46Å; C639-F836 HydrophobicContact CB-CE1 3.97Å; C639-F836 WeakPolarHBondContact SG-CE1 3.5Å; S832-F836 WeakPolarHBondContact O-CB 3.39Å; S832-F836 PolarHBondContact O-N 2.78Å; M833-F836 WeakPolarHBondContact O-CB 3.25Å; M833-F836 PolarHBondContact O-N 2.99Å; M833-F836 VanDerWaalsContact O-N 3.1Å; E834-F836 VanDerWaalsContact C-N 3.26Å; E834-F836 PolarHBondContact O-N 3.04Å; F836-K839 PolarHBondContact O-N 2.88Å; F836-R840 HydrophobicContact CD1-CG 4.49Å; F836-R840 VanDerWaalsContact CE1-CD 3.46Å; F836-R840 HydrophobicContact CE1-CG 4.12Å; F836-R840 HydrophobicContact CE2-CG 4.41Å; F836-R840 HydrophobicContact CZ-CG 4.06Å; F836-R840 WeakPolarHBondContact O-CB 3.32Å; F836-R840 WeakPolarHBondContact O-CG 3.42Å; F836-R840 PolarHBondContact O-N 2.95Å
837	E	88.4	Confident	89	Confident	90 Å²	90	71.2 Å²	71.2	42%	0.421	35%	0.353	S	S	.	.	H	α-helix	trans	-65.7	-41.2	174.7	-70.3	-172.4	166.9	0	0	110.6	K642 M833 E834 R840 E841	K642-E837 IonicContact NZ-OE1 2.97Å; K642-E837 PolarHBondContact NZ-OE1 3.15Å; M833-E837 HydrophobicContact CE-CG 3.96Å; M833-E837 WeakPolarHBondContact CE-OE1 3.27Å; M833-E837 PolarHBondContact O-N 3.08Å; E834-E837 PolarHBondContact O-N 3.47Å; E837-R840 PolarHBondContact O-N 3.39Å; E837-E841 PolarHBondContact O-N 2.69Å
838	E	89.7	Confident	89.5	Confident	102 Å²	102	67.3 Å²	67.3	48%	0.477	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-48.2	169.6	-72.2	-170.3	159.8	0	0	112.4	M627 E834 R840 E841 L842	M627-E838 HydrophobicContact CE-CB 4.15Å; M627-E838 HydrophobicContact SD-CB 4.19Å; E834-E838 PolarHBondContact O-N 3.19Å; E838-R840 VanDerWaalsContact C-N 3.31Å; E838-R840 PolarHBondContact O-N 3.34Å; E838-E841 PolarHBondContact O-N 3.01Å; E838-L842 WeakPolarHBondContact O-CB 3.41Å; E838-L842 PolarHBondContact O-N 3.34Å
839	K	91.9	Very high	89.7	Confident	20 Å²	20	64.6 Å²	64.6	9%	0.087	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-39.1	179.5	-168.8	173.2	-179.5	178.2	0	112.1	Y624 M627 V629 E632 K835 F836 L842 E843	Y624-K839 HydrophobicContact CD2-CG 4.08Å; Y624-K839 HydrophobicContact CE2-CD 4.39Å; Y624-K839 HydrophobicContact CE2-CG 3.81Å; M627-K839 HydrophobicContact CG-CB 4.17Å; M627-K839 HydrophobicContact CG-CD 4.35Å; M627-K839 HydrophobicContact CG-CG 4.3Å; M627-K839 WeakPolarHBondContact O-CD 3.49Å; M627-K839 WeakPolarHBondContact O-CE 3.42Å; M627-K839 PolarHBondContact O-NZ 3.31Å; M627-K839 VanDerWaalsContact O-NZ 3.1Å; M627-K839 VanDerWaalsContact SD-CA 3.52Å; M627-K839 HydrophobicContact SD-CB 3.57Å; M627-K839 VanDerWaalsContact SD-CB 3.57Å; M627-K839 HydrophobicContact SD-CG 4.13Å; V629-K839 HydrophobicContact CG2-CB 4.25Å; V629-K839 HydrophobicContact CG2-CD 3.79Å; E632-K839 WeakPolarHBondContact OE1-CD 3.48Å; E632-K839 VanDerWaalsContact OE1-CE 3.24Å; E632-K839 WeakPolarHBondContact OE1-CE 3.36Å; E632-K839 IonicContact OE1-NZ 2.69Å; E632-K839 PolarHBondContact OE1-NZ 2.92Å; E632-K839 IonicContact OE2-NZ 2.81Å; E632-K839 PolarHBondContact OE2-NZ 3.44Å; K835-K839 WeakPolarHBondContact O-CB 3.31Å; K835-K839 PolarHBondContact O-N 3.1Å; F836-K839 PolarHBondContact O-N 2.88Å; K839-L842 PolarHBondContact O-N 3.1Å; K839-E843 PolarHBondContact O-N 3.04Å
840	R	89.3	Confident	89.9	Confident	108 Å²	108	67 Å²	67	41%	0.408	33%	0.325	S	S	.	.	H	α-helix	trans	-70.1	-37.7	176.1	-76.4	-171.2	66.7	-158.5	-0.3	113.2	F836 E837 E838 L842 E843 S844	F836-R840 HydrophobicContact CD1-CG 4.49Å; F836-R840 VanDerWaalsContact CE1-CD 3.46Å; F836-R840 HydrophobicContact CE1-CG 4.12Å; F836-R840 HydrophobicContact CE2-CG 4.41Å; F836-R840 HydrophobicContact CZ-CG 4.06Å; F836-R840 WeakPolarHBondContact O-CB 3.32Å; F836-R840 WeakPolarHBondContact O-CG 3.42Å; F836-R840 PolarHBondContact O-N 2.95Å; E837-R840 PolarHBondContact O-N 3.39Å; E838-R840 VanDerWaalsContact C-N 3.31Å; E838-R840 PolarHBondContact O-N 3.34Å; R840-L842 VanDerWaalsContact C-N 3.27Å; R840-L842 PolarHBondContact O-N 3.26Å; R840-E843 PolarHBondContact O-N 3.2Å; R840-S844 WeakPolarHBondContact O-CB 3.43Å; R840-S844 PolarHBondContact O-N 2.81Å
841	E	89.7	Confident	90.1	Very high	111 Å²	111	61.1 Å²	61.1	52%	0.519	31%	0.305	S	S	.	.	H	α-helix	trans	-61.7	-42.5	171.7	-165.5	-155.3	120.1	0	0	110	E837 E838 S844 R845	E837-E841 PolarHBondContact O-N 2.69Å; E838-E841 PolarHBondContact O-N 3.01Å; E841-S844 WeakPolarHBondContact O-CB 3.5Å; E841-S844 PolarHBondContact O-N 3.18Å; E841-R845 WeakPolarHBondContact O-CB 3.33Å; E841-R845 VanDerWaalsContact O-CG 3.29Å; E841-R845 WeakPolarHBondContact O-CG 3.49Å; E841-R845 PolarHBondContact O-N 2.94Å; E841-R845 WeakPolarHBondContact OE1-CD 3.37Å; E841-R845 IonicContact OE1-CZ 3.12Å; E841-R845 IonicContact OE1-NE 2.7Å; E841-R845 IonicContact OE1-NH1 3.16Å; E841-R845 PolarHBondContact OE1-NH1 2.95Å
842	L	92.4	Very high	89.9	Confident	20 Å²	20	63 Å²	63	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-68.2	-37.3	179.4	-163.1	141.7	0	0	0	112.3	L620 K623 Y624 E838 K839 R840 R845 L846	L620-L842 HydrophobicContact CD2-CG 4.48Å; L620-L842 WeakPolarHBondContact O-CD2 3.41Å; K623-L842 HydrophobicContact CB-CD1 3.75Å; K623-L842 HydrophobicContact CB-CD2 4.22Å; K623-L842 HydrophobicContact CD-CD1 4.38Å; Y624-L842 HydrophobicContact CD2-CD2 4.03Å; Y624-L842 HydrophobicContact CG-CD2 4.27Å; E838-L842 WeakPolarHBondContact O-CB 3.41Å; E838-L842 PolarHBondContact O-N 3.34Å; K839-L842 PolarHBondContact O-N 3.1Å; R840-L842 VanDerWaalsContact C-N 3.27Å; R840-L842 PolarHBondContact O-N 3.26Å; L842-R845 PolarHBondContact O-N 2.96Å; L842-L846 VanDerWaalsContact O-CB 3.26Å; L842-L846 WeakPolarHBondContact O-CB 3.48Å; L842-L846 PolarHBondContact O-N 3.5Å
843	E	92.3	Very high	89.8	Confident	61 Å²	61	63.9 Å²	63.9	29%	0.285	31%	0.312	S	S	.	.	H	α-helix	trans	-60.2	-45.5	169.4	-163.9	-173.1	178.7	0	0	111.6	Y624 K839 R840 R845 L846 N847	Y624-E843 HydrophobicContact CD2-CB 4.24Å; Y624-E843 HydrophobicContact CE2-CB 3.7Å; Y624-E843 HydrophobicContact CE2-CG 3.89Å; K839-E843 PolarHBondContact O-N 3.04Å; R840-E843 PolarHBondContact O-N 3.2Å; E843-R845 VanDerWaalsContact C-N 3.33Å; E843-R845 PolarHBondContact O-N 2.85Å; E843-L846 PolarHBondContact O-N 3.45Å; E843-N847 WeakPolarHBondContact O-CB 3.32Å; E843-N847 VanDerWaalsContact O-CG 3.27Å; E843-N847 PolarHBondContact O-N 3.24Å; E843-N847 PolarHBondContact O-ND2 3.47Å
844	S	91.2	Very high	89.6	Confident	71 Å²	71	68.1 Å²	68.1	50%	0.497	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-42.3	177.2	-175.8	0	0	0	0	111.9	R840 E841 S848	R840-S844 WeakPolarHBondContact O-CB 3.43Å; R840-S844 PolarHBondContact O-N 2.81Å; E841-S844 WeakPolarHBondContact O-CB 3.5Å; E841-S844 PolarHBondContact O-N 3.18Å; S844-S848 WeakPolarHBondContact O-CB 3.46Å; S844-S848 PolarHBondContact O-N 3.31Å; S844-S848 PolarHBondContact O-OG 3.33Å
845	R	92.7	Very high	89.1	Confident	125 Å²	125	66.5 Å²	66.5	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-68	-37.7	175.8	-72	164.4	58.5	171.9	-1.5	112.6	L620 E841 L842 E843 A849	L620-R845 HydrophobicContact CD1-CB 4.45Å; E841-R845 WeakPolarHBondContact O-CB 3.33Å; E841-R845 VanDerWaalsContact O-CG 3.29Å; E841-R845 WeakPolarHBondContact O-CG 3.49Å; E841-R845 PolarHBondContact O-N 2.94Å; E841-R845 WeakPolarHBondContact OE1-CD 3.37Å; E841-R845 IonicContact OE1-CZ 3.12Å; E841-R845 IonicContact OE1-NE 2.7Å; E841-R845 IonicContact OE1-NH1 3.16Å; E841-R845 PolarHBondContact OE1-NH1 2.95Å; L842-R845 PolarHBondContact O-N 2.96Å; E843-R845 VanDerWaalsContact C-N 3.33Å; E843-R845 PolarHBondContact O-N 2.85Å; R845-A849 WeakPolarHBondContact O-CB 3.28Å; R845-A849 PolarHBondContact O-N 3.04Å
846	L	93.1	Very high	88.5	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-65.9	-46.8	174.7	176.2	61.6	0	0	0	111.2	V617 L620 Q621 Y624 L842 E843 S848 A849 K850	V617-L846 HydrophobicContact CG1-CD1 4.32Å; L620-L846 HydrophobicContact CB-CB 4.33Å; L620-L846 HydrophobicContact CB-CD1 3.86Å; Q621-L846 HydrophobicContact CB-CD1 4.12Å; Y624-L846 HydrophobicContact CD1-CD2 4.41Å; Y624-L846 HydrophobicContact CG-CD2 4.14Å; L842-L846 VanDerWaalsContact O-CB 3.26Å; L842-L846 WeakPolarHBondContact O-CB 3.48Å; L842-L846 PolarHBondContact O-N 3.5Å; E843-L846 PolarHBondContact O-N 3.45Å; L846-S848 VanDerWaalsContact C-N 3.35Å; L846-S848 PolarHBondContact O-N 3.4Å; L846-A849 PolarHBondContact O-N 3.27Å; L846-K850 HydrophobicContact CD1-CD 4.44Å; L846-K850 HydrophobicContact CD1-CG 4.46Å; L846-K850 HydrophobicContact CG-CD 4.39Å; L846-K850 WeakPolarHBondContact O-CG 3.4Å; L846-K850 PolarHBondContact O-N 3.25Å
847	N	92.8	Very high	87.7	Confident	83 Å²	83	66.2 Å²	66.2	44%	0.444	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-40.3	176.4	-70.3	-25.5	0	0	0	111.7	E843 K850 A851	E843-N847 WeakPolarHBondContact O-CB 3.32Å; E843-N847 VanDerWaalsContact O-CG 3.27Å; E843-N847 PolarHBondContact O-N 3.24Å; E843-N847 PolarHBondContact O-ND2 3.47Å; N847-K850 PolarHBondContact O-N 2.96Å; N847-A851 PolarHBondContact O-N 3.39Å
848	S	92.1	Very high	87	Confident	62 Å²	62	66.1 Å²	66.1	43%	0.434	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-43.6	172.3	-57	0	0	0	0	111.7	S844 L846 A851 E852	S844-S848 WeakPolarHBondContact O-CB 3.46Å; S844-S848 PolarHBondContact O-N 3.31Å; S844-S848 PolarHBondContact O-OG 3.33Å; L846-S848 VanDerWaalsContact C-N 3.35Å; L846-S848 PolarHBondContact O-N 3.4Å; S848-A851 PolarHBondContact O-N 3.32Å; S848-E852 WeakPolarHBondContact O-CG 3.46Å; S848-E852 PolarHBondContact O-N 3.38Å
849	A	90.3	Very high	86.1	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-34.6	176.7	0	0	0	0	0	113.1	K616 V617 L620 R845 L846 E852 L853	K616-A849 HydrophobicContact CD-CB 4.18Å; K616-A849 HydrophobicContact CG-CB 4.13Å; V617-A849 HydrophobicContact CG2-CB 3.78Å; V617-A849 WeakPolarHBondContact CG2-O 3.34Å; L620-A849 HydrophobicContact CD1-CB 3.82Å; R845-A849 WeakPolarHBondContact O-CB 3.28Å; R845-A849 PolarHBondContact O-N 3.04Å; L846-A849 PolarHBondContact O-N 3.27Å; A849-E852 PolarHBondContact O-N 3.3Å; A849-L853 WeakPolarHBondContact O-CB 3.4Å; A849-L853 PolarHBondContact O-N 3.26Å
850	K	91	Very high	85.1	Confident	79 Å²	79	67.9 Å²	67.9	34%	0.343	34%	0.336	S	S	.	.	H	α-helix	trans	-66.3	-41.9	173	-75.3	178	178.7	177.6	0	111.2	V617 L846 N847 L853 E854	V617-K850 HydrophobicContact CG1-CG 3.96Å; V617-K850 HydrophobicContact CG2-CG 4.21Å; L846-K850 HydrophobicContact CD1-CD 4.44Å; L846-K850 HydrophobicContact CD1-CG 4.46Å; L846-K850 HydrophobicContact CG-CD 4.39Å; L846-K850 WeakPolarHBondContact O-CG 3.4Å; L846-K850 PolarHBondContact O-N 3.25Å; N847-K850 PolarHBondContact O-N 2.96Å; K850-L853 WeakPolarHBondContact O-CB 3.46Å; K850-L853 PolarHBondContact O-N 2.88Å; K850-E854 PolarHBondContact O-N 3.34Å
851	A	87.9	Confident	84.7	Confident	45 Å²	45	64.5 Å²	64.5	37%	0.372	32%	0.324	S	S	.	.	H	α-helix	trans	-66.6	-36.4	173.7	0	0	0	0	0	112.8	N847 S848 N855	N847-A851 PolarHBondContact O-N 3.39Å; S848-A851 PolarHBondContact O-N 3.32Å; A851-N855 WeakPolarHBondContact O-CB 3.29Å; A851-N855 VanDerWaalsContact O-CG 3.27Å; A851-N855 PolarHBondContact O-N 2.9Å; A851-N855 VanDerWaalsContact O-N 3.15Å; A851-N855 PolarHBondContact O-ND2 3.22Å
852	E	83.1	Confident	84.5	Confident	93 Å²	93	61.3 Å²	61.3	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-44	169.8	-73.8	171.6	-153.8	0	0	111.6	K616 S848 A849 N855 A856	K616-E852 IonicContact NZ-OE1 3.28Å; K616-E852 PolarHBondContact NZ-OE1 3.02Å; K616-E852 IonicContact NZ-OE2 2.59Å; K616-E852 PolarHBondContact NZ-OE2 3.23Å; S848-E852 WeakPolarHBondContact O-CG 3.46Å; S848-E852 PolarHBondContact O-N 3.38Å; A849-E852 PolarHBondContact O-N 3.3Å; E852-N855 PolarHBondContact O-N 3.37Å; E852-A856 WeakPolarHBondContact O-CB 3.47Å; E852-A856 PolarHBondContact O-N 3.06Å
853	L	84.5	Confident	84.3	Confident	26 Å²	26	67.7 Å²	67.7	14%	0.136	34%	0.339	C	S	.	.	H	α-helix	trans	-63.1	-49.6	178.5	174.6	59	0	0	0	112	L610 A613 I614 V617 A849 K850 N855 A856 Q857	L610-L853 HydrophobicContact CD1-CD1 3.46Å; L610-L853 VanDerWaalsContact CD1-CD1 3.46Å; A613-L853 HydrophobicContact CB-CB 4.25Å; A613-L853 HydrophobicContact CB-CD1 4Å; I614-L853 HydrophobicContact CG1-CD1 3.58Å; I614-L853 HydrophobicContact CG1-CD2 4.36Å; V617-L853 HydrophobicContact CB-CD2 4.33Å; V617-L853 HydrophobicContact CG1-CD2 4.49Å; V617-L853 HydrophobicContact CG2-CB 4.17Å; V617-L853 HydrophobicContact CG2-CD2 4Å; A849-L853 WeakPolarHBondContact O-CB 3.4Å; A849-L853 PolarHBondContact O-N 3.26Å; K850-L853 WeakPolarHBondContact O-CB 3.46Å; K850-L853 PolarHBondContact O-N 2.88Å; L853-N855 VanDerWaalsContact C-N 3.29Å; L853-N855 PolarHBondContact O-N 3.18Å; L853-A856 WeakPolarHBondContact O-CB 3.45Å; L853-A856 PolarHBondContact O-N 2.87Å; L853-Q857 HydrophobicContact CD1-CG 4.28Å; L853-Q857 WeakPolarHBondContact O-CG 3.5Å; L853-Q857 PolarHBondContact O-N 2.94Å
854	E	83.7	Confident	84.3	Confident	103 Å²	103	67.1 Å²	67.1	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-41.7	178.4	-166.4	-159.8	135	0	0	111.3	K850 A856 Q857 K858	K850-E854 PolarHBondContact O-N 3.34Å; E854-A856 VanDerWaalsContact C-N 3.34Å; E854-A856 PolarHBondContact O-N 3.47Å; E854-Q857 PolarHBondContact O-N 3.18Å; E854-K858 WeakPolarHBondContact O-CG 3.4Å; E854-K858 PolarHBondContact O-N 3.38Å; E854-K858 VanDerWaalsContact O-N 3.16Å; E854-K858 WeakPolarHBondContact OE1-CE 3.35Å; E854-K858 IonicContact OE1-NZ 2.73Å; E854-K858 PolarHBondContact OE1-NZ 3.25Å
855	N	77.1	Confident	84.3	Confident	91 Å²	91	63.7 Å²	63.7	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-71.2	-25.9	176.4	-71	-38.5	0	0	0	113.6	A851 E852 L853	A851-N855 WeakPolarHBondContact O-CB 3.29Å; A851-N855 VanDerWaalsContact O-CG 3.27Å; A851-N855 PolarHBondContact O-N 2.9Å; A851-N855 VanDerWaalsContact O-N 3.15Å; A851-N855 PolarHBondContact O-ND2 3.22Å; E852-N855 PolarHBondContact O-N 3.37Å; L853-N855 VanDerWaalsContact C-N 3.29Å; L853-N855 PolarHBondContact O-N 3.18Å
856	A	74.4	Confident	84.4	Confident	9 Å²	9	60.6 Å²	60.6	7%	0.074	30%	0.304	C	S	.	.	H	α-helix	trans	-77.9	-26.3	172.6	0	0	0	0	0	112.9	L610 E852 L853 E854	L610-A856 HydrophobicContact CD1-CB 4.17Å; E852-A856 WeakPolarHBondContact O-CB 3.47Å; E852-A856 PolarHBondContact O-N 3.06Å; L853-A856 WeakPolarHBondContact O-CB 3.45Å; L853-A856 PolarHBondContact O-N 2.87Å; E854-A856 VanDerWaalsContact C-N 3.34Å; E854-A856 PolarHBondContact O-N 3.47Å
857	Q	73.7	Confident	84.4	Confident	88 Å²	88	60.7 Å²	60.7	41%	0.411	31%	0.305	S	S	.	.	H	α-helix	trans	-78.8	-32.6	175.7	-72.3	177.7	-61.6	0	0	113	L610 L853 E854 L859	L610-Q857 HydrophobicContact CD1-CG 3.4Å; L853-Q857 HydrophobicContact CD1-CG 4.28Å; L853-Q857 WeakPolarHBondContact O-CG 3.5Å; L853-Q857 PolarHBondContact O-N 2.94Å; E854-Q857 PolarHBondContact O-N 3.18Å; Q857-L859 PolarHBondContact O-N 3.47Å
858	K	74.6	Confident	84.5	Confident	88 Å²	88	58.4 Å²	58.4	38%	0.383	29%	0.29	S	S	.	.	S	Bend	trans	-58.6	131.1	178.4	-76.4	169.4	-172	167.8	0	111.2	E854 F860	E854-K858 WeakPolarHBondContact O-CG 3.4Å; E854-K858 PolarHBondContact O-N 3.38Å; E854-K858 VanDerWaalsContact O-N 3.16Å; E854-K858 WeakPolarHBondContact OE1-CE 3.35Å; E854-K858 IonicContact OE1-NZ 2.73Å; E854-K858 PolarHBondContact OE1-NZ 3.25Å; K858-F860 PolarHBondContact O-N 3.28Å; K858-F860 VanDerWaalsContact O-N 3.11Å
859	L	71	Confident	84.6	Confident	56 Å²	56	55.8 Å²	55.8	29%	0.293	27%	0.271	S	S	.	.			trans	-61.7	111.9	169.4	-83.5	163.2	0	0	0	109	E598 Q603 Q857 H861 M862	E598-L859 HydrophobicContact CB-CD2 4.49Å; E598-L859 HydrophobicContact CG-CD1 4.23Å; E598-L859 HydrophobicContact CG-CD2 3.86Å; Q603-L859 HydrophobicContact CG-CD2 3.89Å; Q857-L859 PolarHBondContact O-N 3.47Å; L859-H861 PolarHBondContact O-N 3.39Å; L859-M862 HydrophobicContact CB-CB 3.89Å; L859-M862 HydrophobicContact CB-CE 4.14Å; L859-M862 HydrophobicContact CD1-CE 3.63Å; L859-M862 HydrophobicContact CG-CE 4.47Å; L859-M862 VanDerWaalsContact O-CB 3.26Å; L859-M862 WeakPolarHBondContact O-CB 3.36Å; L859-M862 PolarHBondContact O-N 2.89Å
860	F	71.2	Confident	84.9	Confident	103 Å²	103	60.6 Å²	60.6	45%	0.452	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	138	-179.1	-137.1	-103.5	0	0	0	109.1	K858 M862	K858-F860 PolarHBondContact O-N 3.28Å; K858-F860 VanDerWaalsContact O-N 3.11Å; F860-M862 VanDerWaalsContact C-N 3.26Å; F860-M862 PolarHBondContact O-N 2.78Å
861	H	79.3	Confident	85.2	Confident	37 Å²	37	56.8 Å²	56.8	17%	0.171	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	4.4	-171.2	-46.4	-87.3	0	0	0	117.7	F575 L577 L597 L859 E863 E864 L865	F575-H861 PolarHBondContact O-NE2 2.81Å; L577-H861 HydrophobicContact CD1-CB 3.77Å; L577-H861 HydrophobicContact CG-CB 4.15Å; L597-H861 HydrophobicContact CD2-CB 3.91Å; L859-H861 PolarHBondContact O-N 3.39Å; H861-E863 PolarHBondContact O-N 2.97Å; H861-E864 HydrophobicContact CB-CB 4.34Å; H861-E864 IonicContact CE1-OE2 2.82Å; H861-E864 IonicContact CG-OE2 3.66Å; H861-E864 IonicContact ND1-OE2 3.88Å; H861-E864 PolarHBondContact ND1-OE2 3.49Å; H861-E864 WeakPolarHBondContact O-CB 3.32Å; H861-E864 PolarHBondContact O-N 3.27Å; H861-L865 PolarHBondContact O-N 3.23Å
862	M	86.6	Confident	85.6	Confident	44 Å²	44	54.7 Å²	54.7	22%	0.217	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-43.5	179	-175.5	58.6	71	0	0	112.8	E594 L597 L859 F860 E864 L865 Q866	E594-M862 HydrophobicContact CB-CE 4.48Å; E594-M862 HydrophobicContact CG-CE 3.96Å; E594-M862 HydrophobicContact CG-SD 4.28Å; L597-M862 HydrophobicContact CD1-CE 4.25Å; L859-M862 HydrophobicContact CB-CB 3.89Å; L859-M862 HydrophobicContact CB-CE 4.14Å; L859-M862 HydrophobicContact CD1-CE 3.63Å; L859-M862 HydrophobicContact CG-CE 4.47Å; L859-M862 VanDerWaalsContact O-CB 3.26Å; L859-M862 WeakPolarHBondContact O-CB 3.36Å; L859-M862 PolarHBondContact O-N 2.89Å; F860-M862 VanDerWaalsContact C-N 3.26Å; F860-M862 PolarHBondContact O-N 2.78Å; M862-E864 VanDerWaalsContact C-N 3.29Å; M862-E864 PolarHBondContact O-N 3.5Å; M862-L865 PolarHBondContact O-N 3.32Å; M862-L865 HydrophobicContact SD-CD2 4.19Å; M862-Q866 WeakPolarHBondContact O-CG 3.46Å; M862-Q866 PolarHBondContact O-N 2.74Å
863	E	87.7	Confident	86.2	Confident	154 Å²	154	54.3 Å²	54.3	72%	0.72	25%	0.249	S	C	*	.	H	α-helix	trans	-62	-38.5	175.1	-65.4	-178.4	-175.9	0	0	112	H861 Q866 A867	H861-E863 PolarHBondContact O-N 2.97Å; E863-Q866 PolarHBondContact O-N 2.87Å; E863-A867 WeakPolarHBondContact O-CB 3.1Å; E863-A867 PolarHBondContact O-N 3.46Å
864	E	91.3	Very high	86.8	Confident	48 Å²	48	59.2 Å²	59.2	22%	0.224	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-42.3	176	-168.3	-164.9	157.1	0	0	111.1	L577 H861 M862 A867 R868	L577-E864 HydrophobicContact CD1-CB 4.08Å; L577-E864 HydrophobicContact CD1-CG 4.19Å; H861-E864 HydrophobicContact CB-CB 4.34Å; H861-E864 IonicContact CE1-OE2 2.82Å; H861-E864 IonicContact CG-OE2 3.66Å; H861-E864 IonicContact ND1-OE2 3.88Å; H861-E864 PolarHBondContact ND1-OE2 3.49Å; H861-E864 WeakPolarHBondContact O-CB 3.32Å; H861-E864 PolarHBondContact O-N 3.27Å; M862-E864 VanDerWaalsContact C-N 3.29Å; M862-E864 PolarHBondContact O-N 3.5Å; E864-A867 PolarHBondContact O-N 2.86Å; E864-R868 WeakPolarHBondContact O-CB 3.1Å; E864-R868 WeakPolarHBondContact O-CG 3.38Å; E864-R868 PolarHBondContact O-N 3.15Å; E864-R868 IonicContact OE1-CZ 2.68Å; E864-R868 VanDerWaalsContact OE1-CZ 3.22Å; E864-R868 IonicContact OE1-NE 3.98Å; E864-R868 PolarHBondContact OE1-NE 3.28Å; E864-R868 IonicContact OE1-NH2 3.26Å; E864-R868 PolarHBondContact OE1-NH2 3.43Å
865	L	93.2	Very high	87.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-46.6	174.4	175.1	60.8	0	0	0	111.2	L577 V582 P593 E594 L597 H861 M862 A867 R868 K869	L577-L865 HydrophobicContact CD1-CB 3.65Å; L577-L865 HydrophobicContact CD1-CD1 4.5Å; V582-L865 HydrophobicContact CG1-CD1 4.13Å; V582-L865 HydrophobicContact CG2-CD1 3.73Å; P593-L865 HydrophobicContact CB-CD1 3.61Å; P593-L865 HydrophobicContact CB-CD2 3.78Å; P593-L865 HydrophobicContact CB-CG 4.34Å; P593-L865 HydrophobicContact CG-CD1 4.46Å; E594-L865 HydrophobicContact CG-CD2 4.02Å; L597-L865 HydrophobicContact CD1-CB 4.01Å; L597-L865 HydrophobicContact CD1-CD2 3.62Å; L597-L865 HydrophobicContact CD1-CG 4.43Å; H861-L865 PolarHBondContact O-N 3.23Å; M862-L865 PolarHBondContact O-N 3.32Å; M862-L865 HydrophobicContact SD-CD2 4.19Å; L865-A867 VanDerWaalsContact C-N 3.32Å; L865-A867 PolarHBondContact O-N 3.47Å; L865-R868 PolarHBondContact O-N 3.32Å; L865-K869 HydrophobicContact CD1-CD 4.4Å; L865-K869 HydrophobicContact CD1-CG 4.22Å; L865-K869 HydrophobicContact CG-CD 4.38Å; L865-K869 WeakPolarHBondContact O-CB 3.41Å; L865-K869 WeakPolarHBondContact O-CG 3.44Å; L865-K869 PolarHBondContact O-N 3.16Å
866	Q	93.1	Very high	88.3	Confident	60 Å²	60	52.1 Å²	52.1	28%	0.28	24%	0.239	S	C	.	.	H	α-helix	trans	-64.9	-36.7	177.7	-65.3	-59.1	-27.3	0	0	111.6	M862 E863 R870	M862-Q866 WeakPolarHBondContact O-CG 3.46Å; M862-Q866 PolarHBondContact O-N 2.74Å; E863-Q866 PolarHBondContact O-N 2.87Å; Q866-R870 WeakPolarHBondContact O-CG 3.29Å; Q866-R870 PolarHBondContact O-N 2.82Å
867	A	93.8	Very high	89.4	Confident	5 Å²	5	51.7 Å²	51.7	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-47.1	171.4	0	0	0	0	0	111.9	E863 E864 L865 R870 V871 V962 L964	E863-A867 WeakPolarHBondContact O-CB 3.1Å; E863-A867 PolarHBondContact O-N 3.46Å; E864-A867 PolarHBondContact O-N 2.86Å; L865-A867 VanDerWaalsContact C-N 3.32Å; L865-A867 PolarHBondContact O-N 3.47Å; A867-R870 WeakPolarHBondContact O-CB 3.26Å; A867-R870 PolarHBondContact O-N 3.45Å; A867-R870 VanDerWaalsContact O-N 3.13Å; A867-V871 PolarHBondContact O-N 3.21Å; A867-V962 HydrophobicContact CB-CG2 4.29Å; A867-L964 HydrophobicContact CB-CB 4.41Å; A867-L964 HydrophobicContact CB-CD1 4.01Å; A867-L964 HydrophobicContact CB-CG 4.22Å
868	R	95.3	Very high	90.5	Very high	35 Å²	35	47.7 Å²	47.7	13%	0.132	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-44.5	176.8	-72.4	176.1	-178.4	-89.5	3.7	112.3	L577 Y579 E864 L865 R870 V871 L872 L964	L577-R868 PolarHBondContact O-NH1 2.94Å; L577-R868 PolarHBondContact O-NH2 2.85Å; Y579-R868 HydrophobicContact CD1-CB 4.17Å; Y579-R868 HydrophobicContact CD1-CG 4.32Å; Y579-R868 HydrophobicContact CE1-CB 3.69Å; Y579-R868 HydrophobicContact CE1-CG 3.68Å; E864-R868 WeakPolarHBondContact O-CB 3.1Å; E864-R868 WeakPolarHBondContact O-CG 3.38Å; E864-R868 PolarHBondContact O-N 3.15Å; E864-R868 IonicContact OE1-CZ 2.68Å; E864-R868 VanDerWaalsContact OE1-CZ 3.22Å; E864-R868 IonicContact OE1-NE 3.98Å; E864-R868 PolarHBondContact OE1-NE 3.28Å; E864-R868 IonicContact OE1-NH2 3.26Å; E864-R868 PolarHBondContact OE1-NH2 3.43Å; L865-R868 PolarHBondContact O-N 3.32Å; R868-R870 VanDerWaalsContact C-N 3.3Å; R868-R870 PolarHBondContact O-N 2.81Å; R868-V871 WeakPolarHBondContact O-CB 3.06Å; R868-V871 PolarHBondContact O-N 2.99Å; R868-V871 VanDerWaalsContact O-N 3.1Å; R868-L872 WeakPolarHBondContact O-CG 3.39Å; R868-L872 PolarHBondContact O-N 2.92Å; R868-L964 HydrophobicContact CG-CD1 3.74Å
869	K	94.8	Very high	91.5	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.03	21%	0.214	C	C	.	.	H	α-helix	trans	-57.2	-42	172.2	-76.7	-177.1	168.9	-167.4	0	111.2	V582 E594 L865 V871 L872 R873 D882	V582-K869 HydrophobicContact CG1-CG 4.47Å; E594-K869 VanDerWaalsContact CD-NZ 3.28Å; E594-K869 IonicContact OE1-NZ 3.59Å; E594-K869 PolarHBondContact OE1-NZ 3.48Å; E594-K869 IonicContact OE2-NZ 2.68Å; E594-K869 PolarHBondContact OE2-NZ 3.5Å; E594-K869 VanDerWaalsContact OE2-NZ 3.07Å; L865-K869 HydrophobicContact CD1-CD 4.4Å; L865-K869 HydrophobicContact CD1-CG 4.22Å; L865-K869 HydrophobicContact CG-CD 4.38Å; L865-K869 WeakPolarHBondContact O-CB 3.41Å; L865-K869 WeakPolarHBondContact O-CG 3.44Å; L865-K869 PolarHBondContact O-N 3.16Å; K869-V871 PolarHBondContact O-N 3.46Å; K869-L872 PolarHBondContact O-N 2.66Å; K869-R873 WeakPolarHBondContact O-CB 3.33Å; K869-R873 VanDerWaalsContact O-CG 3.22Å; K869-R873 WeakPolarHBondContact O-CG 3.41Å; K869-R873 PolarHBondContact O-N 2.65Å; K869-D882 WeakPolarHBondContact CD-OD2 3.27Å; K869-D882 VanDerWaalsContact CE-OD2 3.29Å; K869-D882 WeakPolarHBondContact CE-OD2 3.28Å; K869-D882 IonicContact NZ-OD2 3.28Å; K869-D882 PolarHBondContact NZ-OD2 3.34Å
870	R	95.8	Very high	92.5	Very high	101 Å²	101	46.7 Å²	46.7	38%	0.381	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-40.5	173.3	-71	-176.5	-62.5	-99.2	7.7	112.8	Q866 A867 R868 R874 V962	Q866-R870 WeakPolarHBondContact O-CG 3.29Å; Q866-R870 PolarHBondContact O-N 2.82Å; A867-R870 WeakPolarHBondContact O-CB 3.26Å; A867-R870 PolarHBondContact O-N 3.45Å; A867-R870 VanDerWaalsContact O-N 3.13Å; R868-R870 VanDerWaalsContact C-N 3.3Å; R868-R870 PolarHBondContact O-N 2.81Å; R870-R874 WeakPolarHBondContact O-CB 3.4Å; R870-R874 WeakPolarHBondContact O-CG 3.43Å; R870-R874 PolarHBondContact O-N 3.21Å; R870-V962 HydrophobicContact CB-CB 4.25Å; R870-V962 HydrophobicContact CB-CG1 3.87Å; R870-V962 PolarHBondContact NH2-O 3.12Å
871	V	96.6	Very high	93.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-51.4	173.4	179.4	0	0	0	0	110.9	Y579 A867 R868 K869 R873 R874 L875 L900 V958 V962 L964	Y579-V871 HydrophobicContact CE1-CB 4.2Å; Y579-V871 HydrophobicContact CE1-CG1 4.33Å; A867-V871 PolarHBondContact O-N 3.21Å; R868-V871 WeakPolarHBondContact O-CB 3.06Å; R868-V871 PolarHBondContact O-N 2.99Å; R868-V871 VanDerWaalsContact O-N 3.1Å; K869-V871 PolarHBondContact O-N 3.46Å; V871-R873 VanDerWaalsContact C-N 3.3Å; V871-R873 PolarHBondContact O-N 3.05Å; V871-R874 PolarHBondContact O-N 3.24Å; V871-R874 VanDerWaalsContact O-N 3.13Å; V871-L875 HydrophobicContact CG1-CD1 3.73Å; V871-L875 HydrophobicContact CG1-CG 4.26Å; V871-L875 PolarHBondContact O-N 3.05Å; V871-L900 HydrophobicContact CG1-CD1 4.29Å; V871-V958 HydrophobicContact CG1-CG1 4.29Å; V871-V962 HydrophobicContact CG2-CG2 3.57Å; V871-L964 HydrophobicContact CG2-CD1 4.14Å
872	L	97.1	Very high	94	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-41.1	-179.7	-67.3	176.1	0	0	0	112.3	Y579 V582 L583 R868 K869 G876 F877 C878 L900	Y579-L872 HydrophobicContact CD1-CD1 4.28Å; Y579-L872 HydrophobicContact CD1-CD2 3.76Å; Y579-L872 HydrophobicContact CD1-CG 3.92Å; Y579-L872 HydrophobicContact CE1-CD2 4.43Å; Y579-L872 HydrophobicContact CE1-CG 4.36Å; Y579-L872 HydrophobicContact CG-CD2 4.42Å; V582-L872 HydrophobicContact CB-CD1 4.33Å; V582-L872 HydrophobicContact CG1-CD1 3.69Å; L583-L872 HydrophobicContact CD1-CD2 4.11Å; L583-L872 HydrophobicContact CD2-CD1 3.97Å; L583-L872 HydrophobicContact CD2-CD2 4.08Å; L583-L872 HydrophobicContact CG-CD1 4.12Å; L583-L872 HydrophobicContact CG-CD2 4.15Å; R868-L872 WeakPolarHBondContact O-CG 3.39Å; R868-L872 PolarHBondContact O-N 2.92Å; K869-L872 PolarHBondContact O-N 2.66Å; L872-G876 PolarHBondContact O-N 3.22Å; L872-F877 HydrophobicContact CB-CB 4.24Å; L872-F877 HydrophobicContact CD2-CB 3.86Å; L872-F877 HydrophobicContact CD2-CD1 4.5Å; L872-F877 HydrophobicContact CD2-CG 4.15Å; L872-F877 PolarHBondContact O-N 3.19Å; L872-C878 VanDerWaalsContact CB-SG 3.57Å; L872-L900 HydrophobicContact CD2-CD2 3.74Å
873	R	96.4	Very high	94.4	Very high	85 Å²	85	50.8 Å²	50.8	32%	0.321	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-45.7	174.5	-68.4	171.6	-167.2	164.3	7.4	112.2	K869 V871 L875 G876 T879 D882	K869-R873 WeakPolarHBondContact O-CB 3.33Å; K869-R873 VanDerWaalsContact O-CG 3.22Å; K869-R873 WeakPolarHBondContact O-CG 3.41Å; K869-R873 PolarHBondContact O-N 2.65Å; V871-R873 VanDerWaalsContact C-N 3.3Å; V871-R873 PolarHBondContact O-N 3.05Å; R873-L875 VanDerWaalsContact C-N 3.33Å; R873-L875 PolarHBondContact O-N 2.88Å; R873-G876 PolarHBondContact O-N 3.43Å; R873-T879 WeakPolarHBondContact CG-O 3.45Å; R873-D882 IonicContact CZ-OD1 3.79Å; R873-D882 IonicContact NE-OD1 2.81Å; R873-D882 PolarHBondContact NE-OD1 3.15Å; R873-D882 IonicContact NH2-OD1 2.7Å; R873-D882 PolarHBondContact NH2-OD1 2.9Å; R873-D882 IonicContact NH2-OD2 3.2Å; R873-D882 PolarHBondContact NH2-OD2 2.79Å; R873-D882 VanDerWaalsContact NH2-OD2 3.09Å
874	R	95.5	Very high	94.7	Very high	130 Å²	130	44.3 Å²	44.3	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-69.1	-28.1	-179.3	-71.3	-176	80.7	-164.4	3.8	113.6	R870 V871 V958 E961	R870-R874 WeakPolarHBondContact O-CB 3.4Å; R870-R874 WeakPolarHBondContact O-CG 3.43Å; R870-R874 PolarHBondContact O-N 3.21Å; V871-R874 PolarHBondContact O-N 3.24Å; V871-R874 VanDerWaalsContact O-N 3.13Å; R874-V958 HydrophobicContact CB-CG1 3.92Å; R874-E961 IonicContact CZ-OE2 2.66Å; R874-E961 IonicContact NH1-OE2 2.92Å; R874-E961 PolarHBondContact NH1-OE2 3.41Å; R874-E961 IonicContact NH2-OE2 3.54Å; R874-E961 PolarHBondContact NH2-OE2 2.93Å
875	L	96.2	Very high	94.9	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-91.1	-4.8	174.9	-62.8	-179.3	0	0	0	113.6	V871 R873 F877 K887 L900 I955 V958	V871-L875 HydrophobicContact CG1-CD1 3.73Å; V871-L875 HydrophobicContact CG1-CG 4.26Å; V871-L875 PolarHBondContact O-N 3.05Å; R873-L875 VanDerWaalsContact C-N 3.33Å; R873-L875 PolarHBondContact O-N 2.88Å; L875-F877 HydrophobicContact CB-CD2 3.58Å; L875-F877 HydrophobicContact CB-CE2 3.62Å; L875-F877 HydrophobicContact CD1-CE2 4.28Å; L875-K887 PolarHBondContact O-NZ 3.1Å; L875-L900 HydrophobicContact CD1-CD1 4.31Å; L875-I955 HydrophobicContact CD1-CG1 4.22Å; L875-I955 HydrophobicContact CD1-CG2 4.47Å; L875-V958 HydrophobicContact CD2-CB 4.5Å; L875-V958 HydrophobicContact CD2-CG1 4.31Å; L875-V958 HydrophobicContact CD2-CG2 4.22Å; L875-V958 HydrophobicContact CG-CG1 4.32Å
876	G	96.5	Very high	95	Very high	34 Å²	34	48.2 Å²	48.2	35%	0.351	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	19.7	174.7	0	0	0	0	0	115.8	L872 R873 T885	L872-G876 PolarHBondContact O-N 3.22Å; R873-G876 PolarHBondContact O-N 3.43Å; G876-T885 WeakPolarHBondContact O-CG2 3.25Å; G876-T885 PolarHBondContact O-OG1 2.84Å
877	F	97.7	Very high	95.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-79.7	-28.8	177	-70.7	-113.3	0	0	0	112.4	L583 L872 L875 T885 K887 G888 A891 L900 T903 E904	L583-F877 HydrophobicContact CD1-CD1 4.12Å; L583-F877 HydrophobicContact CD2-CB 4.1Å; L872-F877 HydrophobicContact CB-CB 4.24Å; L872-F877 HydrophobicContact CD2-CB 3.86Å; L872-F877 HydrophobicContact CD2-CD1 4.5Å; L872-F877 HydrophobicContact CD2-CG 4.15Å; L872-F877 PolarHBondContact O-N 3.19Å; L875-F877 HydrophobicContact CB-CD2 3.58Å; L875-F877 HydrophobicContact CB-CE2 3.62Å; L875-F877 HydrophobicContact CD1-CE2 4.28Å; F877-T885 PolarHBondContact O-N 3.1Å; F877-T885 PolarHBondContact O-OG1 3.3Å; F877-T885 VanDerWaalsContact O-OG1 3.07Å; F877-K887 HydrophobicContact CD1-CG 4.26Å; F877-K887 HydrophobicContact CD2-CD 3.98Å; F877-K887 HydrophobicContact CD2-CG 4.29Å; F877-K887 HydrophobicContact CE1-CG 4.22Å; F877-K887 HydrophobicContact CE2-CD 3.85Å; F877-K887 HydrophobicContact CE2-CG 4.23Å; F877-K887 HydrophobicContact CG-CD 4.45Å; F877-K887 HydrophobicContact CG-CG 4.3Å; F877-K887 HydrophobicContact CZ-CD 4.23Å; F877-K887 HydrophobicContact CZ-CG 4.2Å; F877-G888 VanDerWaalsContact O-CA 3.27Å; F877-G888 WeakPolarHBondContact O-CA 3.19Å; F877-G888 PolarHBondContact O-N 2.82Å; F877-A891 HydrophobicContact CD1-CB 3.74Å; F877-A891 HydrophobicContact CE1-CB 3.6Å; F877-L900 HydrophobicContact CD1-CD2 3.92Å; F877-L900 HydrophobicContact CD2-CD2 4.42Å; F877-L900 HydrophobicContact CE1-CD2 3.57Å; F877-L900 HydrophobicContact CE2-CD2 4.13Å; F877-L900 HydrophobicContact CG-CD2 4.34Å; F877-L900 HydrophobicContact CZ-CB 4.3Å; F877-L900 HydrophobicContact CZ-CD2 3.7Å; F877-T903 HydrophobicContact CE1-CG2 3.67Å; F877-T903 HydrophobicContact CZ-CG2 3.94Å; F877-E904 WeakPolarHBondContact CE2-OE1 3.21Å
878	C	96.3	Very high	95.4	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.027	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-136.4	161.5	168.5	63.4	0	0	0	0	111.3	L586 L872 V883	L586-C878 HydrophobicContact CD1-CB 4.3Å; L872-C878 VanDerWaalsContact CB-SG 3.57Å; C878-V883 CarbonylContact C-O 3.54Å; C878-V883 VanDerWaalsContact CA-O 3.32Å; C878-V883 WeakPolarHBondContact CA-O 3.42Å
879	T	95.7	Very high	95.4	Very high	51 Å²	51	51.6 Å²	51.6	31%	0.313	26%	0.259	S	S	.	.			trans	-79.8	171.9	174.6	67.7	0	0	0	0	111.6	R873 Q881 D882 V883 T885	R873-T879 WeakPolarHBondContact CG-O 3.45Å; T879-Q881 PolarHBondContact O-N 3.39Å; T879-Q881 PolarHBondContact OG1-N 2.86Å; T879-D882 PolarHBondContact O-N 3.46Å; T879-V883 HydrophobicContact CG2-CB 4.38Å; T879-V883 PolarHBondContact N-O 3.44Å; T879-V883 WeakPolarHBondContact OG1-CB 3.39Å; T879-V883 PolarHBondContact OG1-N 3Å; T879-V883 VanDerWaalsContact OG1-N 3.17Å; T879-V883 PolarHBondContact OG1-O 3.19Å; T879-T885 HydrophobicContact CG2-CG2 4.19Å
880	A	92.9	Very high	95.4	Very high	72 Å²	72	51.3 Å²	51.3	60%	0.595	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24	174.7	0	0	0	0	0	113.4	D882	A880-D882 VanDerWaalsContact C-N 3.29Å
881	Q	91.8	Very high	95.5	Very high	151 Å²	151	46.5 Å²	46.5	71%	0.706	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	17.6	176.2	-60.7	76.9	12.7	0	0	112.6	T879 V883	T879-Q881 PolarHBondContact O-N 3.39Å; T879-Q881 PolarHBondContact OG1-N 2.86Å; Q881-V883 HydrophobicContact CB-CG2 4.35Å; Q881-V883 PolarHBondContact O-N 3.48Å; Q881-V883 VanDerWaalsContact O-N 3.09Å
882	D	90.6	Very high	95.4	Very high	31 Å²	31	46.8 Å²	46.8	17%	0.166	24%	0.242	C	C	.	.			trans	58.5	15.7	-178	-71.6	-17.4	0	0	0	115.8	L586 K869 R873 T879 A880	L586-D882 HydrophobicContact CD1-CB 4.33Å; L586-D882 HydrophobicContact CD2-CB 3.87Å; K869-D882 WeakPolarHBondContact CD-OD2 3.27Å; K869-D882 VanDerWaalsContact CE-OD2 3.29Å; K869-D882 WeakPolarHBondContact CE-OD2 3.28Å; K869-D882 IonicContact NZ-OD2 3.28Å; K869-D882 PolarHBondContact NZ-OD2 3.34Å; R873-D882 IonicContact CZ-OD1 3.79Å; R873-D882 IonicContact NE-OD1 2.81Å; R873-D882 PolarHBondContact NE-OD1 3.15Å; R873-D882 IonicContact NH2-OD1 2.7Å; R873-D882 PolarHBondContact NH2-OD1 2.9Å; R873-D882 IonicContact NH2-OD2 3.2Å; R873-D882 PolarHBondContact NH2-OD2 2.79Å; R873-D882 VanDerWaalsContact NH2-OD2 3.09Å; T879-D882 PolarHBondContact O-N 3.46Å; A880-D882 VanDerWaalsContact C-N 3.29Å
883	V	93.4	Very high	95.2	Very high	89 Å²	89	48.8 Å²	48.8	54%	0.539	25%	0.251	S	S	.	.			trans	-75.6	127.9	172.7	-174.5	0	0	0	0	109.5	C878 T879 Q881	C878-V883 CarbonylContact C-O 3.54Å; C878-V883 VanDerWaalsContact CA-O 3.32Å; C878-V883 WeakPolarHBondContact CA-O 3.42Å; T879-V883 HydrophobicContact CG2-CB 4.38Å; T879-V883 PolarHBondContact N-O 3.44Å; T879-V883 WeakPolarHBondContact OG1-CB 3.39Å; T879-V883 PolarHBondContact OG1-N 3Å; T879-V883 VanDerWaalsContact OG1-N 3.17Å; T879-V883 PolarHBondContact OG1-O 3.19Å; Q881-V883 HydrophobicContact CB-CG2 4.35Å; Q881-V883 PolarHBondContact O-N 3.48Å; Q881-V883 VanDerWaalsContact O-N 3.09Å
884	I	94.3	Very high	95.1	Very high	18 Å²	18	44.8 Å²	44.8	9%	0.092	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-65.2	132.8	-179.7	-163.1	171.8	0	0	0	112.2	L583 R587 R889 C892	L583-I884 HydrophobicContact CD2-CD1 4.46Å; L583-I884 HydrophobicContact CD2-CG1 4.46Å; R587-I884 HydrophobicContact CB-CD1 3.99Å; R587-I884 HydrophobicContact CG-CD1 4.43Å; I884-R889 HydrophobicContact CD1-CG 4.1Å; I884-R889 HydrophobicContact CG1-CG 4.24Å; I884-R889 HydrophobicContact CG2-CG 4.18Å; I884-C892 VanDerWaalsContact CD1-SG 3.54Å
885	T	96.4	Very high	94.9	Very high	39 Å²	39	41.5 Å²	41.5	24%	0.239	23%	0.233	C	C	.	.			trans	-87.9	176.3	175.6	72.4	0	0	0	0	111.4	G876 F877 T879 K887 G888 R889	G876-T885 WeakPolarHBondContact O-CG2 3.25Å; G876-T885 PolarHBondContact O-OG1 2.84Å; F877-T885 PolarHBondContact O-N 3.1Å; F877-T885 PolarHBondContact O-OG1 3.3Å; F877-T885 VanDerWaalsContact O-OG1 3.07Å; T879-T885 HydrophobicContact CG2-CG2 4.19Å; T885-K887 PolarHBondContact O-N 3.37Å; T885-K887 PolarHBondContact OG1-N 3.07Å; T885-G888 PolarHBondContact O-N 3.11Å; T885-G888 VanDerWaalsContact O-N 3.17Å; T885-G888 PolarHBondContact OG1-N 3.13Å; T885-R889 WeakPolarHBondContact O-CG 3.38Å; T885-R889 PolarHBondContact O-N 3.42Å
886	L	96	Very high	94.4	Very high	90 Å²	90	42.8 Å²	42.8	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-54.1	-41.2	168.6	-177.4	63.6	0	0	0	111.6	R889 V890 F907 A1026	L886-R889 PolarHBondContact O-N 3.32Å; L886-V890 WeakPolarHBondContact O-CG2 3.48Å; L886-V890 PolarHBondContact O-N 2.9Å; L886-F907 HydrophobicContact CD2-CZ 4.48Å; L886-F907 HydrophobicContact CG-CZ 4.28Å; L886-A1026 WeakPolarHBondContact CD1-O 3.46Å
887	K	97.1	Very high	94.1	Very high	28 Å²	28	41.9 Å²	41.9	12%	0.122	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-41.9	177.7	-163	177.5	-165.6	180	0	111.6	L875 F877 T885 V890 A891 T903 E904 F907	L875-K887 PolarHBondContact O-NZ 3.1Å; F877-K887 HydrophobicContact CD1-CG 4.26Å; F877-K887 HydrophobicContact CD2-CD 3.98Å; F877-K887 HydrophobicContact CD2-CG 4.29Å; F877-K887 HydrophobicContact CE1-CG 4.22Å; F877-K887 HydrophobicContact CE2-CD 3.85Å; F877-K887 HydrophobicContact CE2-CG 4.23Å; F877-K887 HydrophobicContact CG-CD 4.45Å; F877-K887 HydrophobicContact CG-CG 4.3Å; F877-K887 HydrophobicContact CZ-CD 4.23Å; F877-K887 HydrophobicContact CZ-CG 4.2Å; T885-K887 PolarHBondContact O-N 3.37Å; T885-K887 PolarHBondContact OG1-N 3.07Å; K887-V890 PolarHBondContact O-N 3.43Å; K887-A891 PolarHBondContact O-N 2.97Å; K887-A891 VanDerWaalsContact O-N 3.16Å; K887-T903 HydrophobicContact CG-CG2 3.5Å; K887-E904 WeakPolarHBondContact CE-OE1 3.34Å; K887-E904 IonicContact NZ-OE1 3.09Å; K887-E904 PolarHBondContact NZ-OE1 3.22Å; K887-E904 IonicContact NZ-OE2 3.93Å; K887-E904 PolarHBondContact NZ-OE2 3.2Å; K887-F907 HydrophobicContact CB-CE1 4.48Å; K887-F907 HydrophobicContact CB-CE2 4.09Å; K887-F907 HydrophobicContact CB-CZ 4Å; K887-F907 HydrophobicContact CG-CD2 3.95Å; K887-F907 HydrophobicContact CG-CE2 3.81Å; K887-F907 HydrophobicContact CG-CG 4.43Å; K887-F907 HydrophobicContact CG-CZ 4.18Å
888	G	96.4	Very high	93.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-43.4	172.3	0	0	0	0	0	113.1	F877 T885 A891 C892	F877-G888 VanDerWaalsContact O-CA 3.27Å; F877-G888 WeakPolarHBondContact O-CA 3.19Å; F877-G888 PolarHBondContact O-N 2.82Å; T885-G888 PolarHBondContact O-N 3.11Å; T885-G888 VanDerWaalsContact O-N 3.17Å; T885-G888 PolarHBondContact OG1-N 3.13Å; G888-A891 PolarHBondContact O-N 3.37Å; G888-C892 PolarHBondContact O-N 3.47Å; G888-C892 PolarHBondContact O-SG 3.03Å
889	R	95.1	Very high	93.9	Very high	144 Å²	144	44.5 Å²	44.5	54%	0.543	25%	0.249	S	C	.	.	H	α-helix	trans	-63.5	-41.4	177.8	-69.5	-179.9	-177.8	-148.8	-3.1	112.6	I884 T885 L886 A891 C892	I884-R889 HydrophobicContact CD1-CG 4.1Å; I884-R889 HydrophobicContact CG1-CG 4.24Å; I884-R889 HydrophobicContact CG2-CG 4.18Å; T885-R889 WeakPolarHBondContact O-CG 3.38Å; T885-R889 PolarHBondContact O-N 3.42Å; L886-R889 PolarHBondContact O-N 3.32Å; R889-A891 VanDerWaalsContact C-N 3.26Å; R889-A891 PolarHBondContact O-N 2.96Å; R889-C892 WeakPolarHBondContact O-CB 3.4Å; R889-C892 PolarHBondContact O-N 3.38Å
890	V	96.6	Very high	93.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-39.4	174.5	171.8	0	0	0	0	111	L886 K887 E893 T903 L906 F907 A1023 A1026 M1027	L886-V890 WeakPolarHBondContact O-CG2 3.48Å; L886-V890 PolarHBondContact O-N 2.9Å; K887-V890 PolarHBondContact O-N 3.43Å; V890-E893 PolarHBondContact O-N 2.93Å; V890-T903 HydrophobicContact CB-CG2 4.33Å; V890-T903 HydrophobicContact CG1-CG2 4.07Å; V890-L906 HydrophobicContact CG1-CD1 3.93Å; V890-F907 HydrophobicContact CB-CE2 4.12Å; V890-F907 HydrophobicContact CG1-CE2 4.17Å; V890-F907 HydrophobicContact CG2-CE2 4.01Å; V890-F907 HydrophobicContact CG2-CZ 4.22Å; V890-A1023 HydrophobicContact CG1-CB 3.85Å; V890-A1026 HydrophobicContact CG2-CB 4.27Å; V890-M1027 HydrophobicContact CG2-CB 3.74Å; V890-M1027 HydrophobicContact CG2-CG 4.39Å
891	A	97	Very high	94.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-74.9	-24	179	0	0	0	0	0	114.7	L583 F877 K887 G888 R889 E893 I894 T903	L583-A891 HydrophobicContact CD1-CB 3.74Å; F877-A891 HydrophobicContact CD1-CB 3.74Å; F877-A891 HydrophobicContact CE1-CB 3.6Å; K887-A891 PolarHBondContact O-N 2.97Å; K887-A891 VanDerWaalsContact O-N 3.16Å; G888-A891 PolarHBondContact O-N 3.37Å; R889-A891 VanDerWaalsContact C-N 3.26Å; R889-A891 PolarHBondContact O-N 2.96Å; A891-E893 PolarHBondContact O-N 3.47Å; A891-I894 PolarHBondContact O-N 3.2Å; A891-T903 HydrophobicContact CB-CG2 4.3Å; A891-T903 WeakPolarHBondContact CB-OG1 3.45Å
892	C	94.6	Very high	94.3	Very high	7 Å²	7	31.6 Å²	31.6	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-31.7	171.8	-74.9	0	0	0	0	112.8	N580 N584 I884 G888 R889 I894	N580-C892 PolarHBondContact ND2-O 2.8Å; N584-C892 PolarHBondContact ND2-O 3.15Å; N584-C892 WeakPolarHBondContact OD1-CB 3.32Å; N584-C892 PolarHBondContact OD1-SG 2.74Å; I884-C892 VanDerWaalsContact CD1-SG 3.54Å; G888-C892 PolarHBondContact O-N 3.47Å; G888-C892 PolarHBondContact O-SG 3.03Å; R889-C892 WeakPolarHBondContact O-CB 3.4Å; R889-C892 PolarHBondContact O-N 3.38Å; C892-I894 VanDerWaalsContact C-N 3.29Å; C892-I894 PolarHBondContact O-N 3.35Å
893	E	93.5	Very high	94.6	Very high	42 Å²	42	30.1 Å²	30.1	20%	0.196	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.6	-178.3	-50.1	-55.2	129.5	0	0	113.2	R587 V890 A891 E1019 L1022 A1023 A1026	R587-E893 IonicContact NH1-OE1 3.81Å; R587-E893 PolarHBondContact NH1-OE1 2.65Å; V890-E893 PolarHBondContact O-N 2.93Å; A891-E893 PolarHBondContact O-N 3.47Å; E893-E1019 VanDerWaalsContact O-CB 3.28Å; E893-E1019 WeakPolarHBondContact O-CB 3.26Å; E893-E1019 WeakPolarHBondContact O-CG 3.46Å; E893-L1022 HydrophobicContact CB-CB 4.07Å; E893-L1022 HydrophobicContact CG-CB 4.36Å; E893-A1023 HydrophobicContact CB-CB 4.36Å; E893-A1026 HydrophobicContact CG-CB 4.34Å
894	I	94.4	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.			trans	-105.7	120.7	-178.3	-56.2	176.4	0	0	0	109.4	N580 A891 C892 E899 L902 L906 L1016 M1020 A1023	N580-I894 PolarHBondContact ND2-O 2.9Å; A891-I894 PolarHBondContact O-N 3.2Å; C892-I894 VanDerWaalsContact C-N 3.29Å; C892-I894 PolarHBondContact O-N 3.35Å; I894-E899 HydrophobicContact CB-CB 4.24Å; I894-E899 HydrophobicContact CG2-CB 4.31Å; I894-L902 HydrophobicContact CD1-CB 3.93Å; I894-L902 HydrophobicContact CG2-CD1 3.93Å; I894-L906 HydrophobicContact CD1-CD1 4.42Å; I894-L1016 HydrophobicContact CG2-CD1 4.1Å; I894-M1020 HydrophobicContact CD1-SD 3.81Å; I894-M1020 HydrophobicContact CG1-SD 4.41Å; I894-A1023 HydrophobicContact CD1-CB 4.13Å; I894-A1023 HydrophobicContact CG1-CB 4.01Å
895	S	89.6	Confident	94.7	Very high	62 Å²	62	25.2 Å²	25.2	43%	0.434	14%	0.135	S	C	.	.			trans	-139.2	-22	-177.4	88.5	0	0	0	0	114.5	E1019	S895-E1019 WeakPolarHBondContact CA-OE1 3.13Å; S895-E1019 WeakPolarHBondContact CB-OE1 3.22Å; S895-E1019 PolarHBondContact N-OE1 2.97Å; S895-E1019 VanDerWaalsContact N-OE1 3.13Å; S895-E1019 PolarHBondContact N-OE2 3.42Å; S895-E1019 PolarHBondContact OG-OE1 3Å
896	A	87	Confident	94.6	Very high	36 Å²	36	23.6 Å²	23.6	30%	0.298	13%	0.125	S	C	.	.	S	Bend	trans	-83.3	-9.3	177.7	0	0	0	0	0	113.8	E1015 L1016 E1019	A896-E1015 HydrophobicContact CB-CG 4.44Å; A896-L1016 HydrophobicContact CB-CB 4.14Å; A896-L1016 HydrophobicContact CB-CD1 4.35Å; A896-E1019 WeakPolarHBondContact CB-OE2 3.25Å; A896-E1019 PolarHBondContact N-OE1 3.13Å; A896-E1019 VanDerWaalsContact N-OE1 3.09Å; A896-E1019 PolarHBondContact N-OE2 3.16Å
897	G	89.7	Confident	94.6	Very high	16 Å²	16	23.1 Å²	23.1	17%	0.165	12%	0.119	C	C	.	.	S	Bend	trans	-140.7	-170.7	179.3	0	0	0	0	0	112.7	E899	G897-E899 PolarHBondContact O-N 3.4Å
898	D	94	Very high	94.4	Very high	33 Å²	33	25.2 Å²	25.2	18%	0.176	13%	0.132	C	C	.	.			trans	-74.3	106.3	177	-172.4	-52.8	0	0	0	110.8	L900 L901 L902 I926 Y971	D898-L900 VanDerWaalsContact C-N 3.29Å; D898-L900 PolarHBondContact O-N 3.32Å; D898-L900 PolarHBondContact OD1-N 3.42Å; D898-L900 VanDerWaalsContact OD1-N 3.08Å; D898-L901 HydrophobicContact CB-CB 3.97Å; D898-L901 WeakPolarHBondContact OD1-CB 3.35Å; D898-L901 PolarHBondContact OD1-N 2.99Å; D898-L902 WeakPolarHBondContact O-CB 3.48Å; D898-L902 VanDerWaalsContact O-CG 3.28Å; D898-L902 WeakPolarHBondContact O-CG 3.49Å; D898-L902 PolarHBondContact O-N 3.22Å; D898-I926 HydrophobicContact CB-CG2 4.4Å; D898-Y971 WeakPolarHBondContact OD2-CE2 3.28Å; D898-Y971 VanDerWaalsContact OD2-CZ 3.27Å; D898-Y971 PolarHBondContact OD2-OH 2.85Å
899	E	95.4	Very high	94.2	Very high	26 Å²	26	26.8 Å²	26.8	12%	0.121	15%	0.148	C	C	.	.	H	α-helix	trans	-65.6	-28	-173.6	65.1	-87.1	-139.4	0	0	113.2	Y579 N580 I894 G897 T903	Y579-E899 WeakPolarHBondContact CA-OE1 3.39Å; Y579-E899 VanDerWaalsContact CB-OE1 3.26Å; Y579-E899 WeakPolarHBondContact CB-OE1 3.4Å; Y579-E899 PolarHBondContact N-OE1 3Å; N580-E899 HydrophobicContact CB-CG 4.31Å; N580-E899 PolarHBondContact N-OE1 3.16Å; I894-E899 HydrophobicContact CB-CB 4.24Å; I894-E899 HydrophobicContact CG2-CB 4.31Å; G897-E899 PolarHBondContact O-N 3.4Å; E899-T903 VanDerWaalsContact O-CB 3.25Å; E899-T903 WeakPolarHBondContact O-CB 3.49Å; E899-T903 PolarHBondContact O-OG1 3.21Å
900	L	96.6	Very high	93.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-82	-50.4	178.4	-61.1	-170.3	0	0	0	111	Y579 V871 L872 L875 F877 D898 T903 E904 I955	Y579-L900 HydrophobicContact CD1-CD1 4.1Å; Y579-L900 HydrophobicContact CD2-CD1 3.51Å; Y579-L900 HydrophobicContact CD2-CG 3.87Å; Y579-L900 HydrophobicContact CE1-CD1 4.05Å; Y579-L900 HydrophobicContact CE2-CD1 3.46Å; Y579-L900 VanDerWaalsContact CE2-CD1 3.46Å; Y579-L900 HydrophobicContact CE2-CG 4.31Å; Y579-L900 HydrophobicContact CG-CD1 3.82Å; Y579-L900 HydrophobicContact CG-CD2 4.19Å; Y579-L900 HydrophobicContact CG-CG 4.04Å; V871-L900 HydrophobicContact CG1-CD1 4.29Å; L872-L900 HydrophobicContact CD2-CD2 3.74Å; L875-L900 HydrophobicContact CD1-CD1 4.31Å; F877-L900 HydrophobicContact CD1-CD2 3.92Å; F877-L900 HydrophobicContact CD2-CD2 4.42Å; F877-L900 HydrophobicContact CE1-CD2 3.57Å; F877-L900 HydrophobicContact CE2-CD2 4.13Å; F877-L900 HydrophobicContact CG-CD2 4.34Å; F877-L900 HydrophobicContact CZ-CB 4.3Å; F877-L900 HydrophobicContact CZ-CD2 3.7Å; D898-L900 VanDerWaalsContact C-N 3.29Å; D898-L900 PolarHBondContact O-N 3.32Å; D898-L900 PolarHBondContact OD1-N 3.42Å; D898-L900 VanDerWaalsContact OD1-N 3.08Å; L900-T903 PolarHBondContact O-N 2.99Å; L900-E904 WeakPolarHBondContact O-CG 3.42Å; L900-E904 PolarHBondContact O-N 3.3Å; L900-I955 HydrophobicContact CB-CD1 4.17Å; L900-I955 HydrophobicContact CD1-CG2 4.2Å
901	L	96.1	Very high	93.6	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-48.8	-177.9	176.9	57.9	0	0	0	111.3	D898 T903 E904 M905 I926 M948 T951 A952 I955 I975	D898-L901 HydrophobicContact CB-CB 3.97Å; D898-L901 WeakPolarHBondContact OD1-CB 3.35Å; D898-L901 PolarHBondContact OD1-N 2.99Å; L901-T903 VanDerWaalsContact C-N 3.31Å; L901-T903 PolarHBondContact O-N 2.89Å; L901-E904 PolarHBondContact O-N 2.89Å; L901-M905 HydrophobicContact CD1-CG 4.36Å; L901-M905 HydrophobicContact CD1-SD 4.19Å; L901-M905 HydrophobicContact CG-SD 4.26Å; L901-M905 VanDerWaalsContact O-CG 3.25Å; L901-M905 WeakPolarHBondContact O-CG 3.21Å; L901-M905 PolarHBondContact O-N 3.44Å; L901-I926 HydrophobicContact CD2-CD1 3.76Å; L901-M948 HydrophobicContact CD1-CG 4.35Å; L901-M948 HydrophobicContact CD2-CG 3.95Å; L901-M948 HydrophobicContact CG-CG 4.42Å; L901-T951 HydrophobicContact CD1-CG2 3.63Å; L901-A952 HydrophobicContact CD1-CB 4.27Å; L901-A952 HydrophobicContact CD2-CB 4.28Å; L901-I955 HydrophobicContact CB-CD1 4.03Å; L901-I955 HydrophobicContact CD1-CD1 4.28Å; L901-I975 HydrophobicContact CD2-CD1 4.13Å; L901-I975 HydrophobicContact CD2-CG1 4.46Å
902	L	96.4	Very high	93.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.5	-36.1	-179.4	-68.2	174.2	0	0	0	112.1	I894 D898 M905 L906 L923 I926 L1016 M1020	I894-L902 HydrophobicContact CD1-CB 3.93Å; I894-L902 HydrophobicContact CG2-CD1 3.93Å; D898-L902 WeakPolarHBondContact O-CB 3.48Å; D898-L902 VanDerWaalsContact O-CG 3.28Å; D898-L902 WeakPolarHBondContact O-CG 3.49Å; D898-L902 PolarHBondContact O-N 3.22Å; L902-M905 PolarHBondContact O-N 3.35Å; L902-L906 WeakPolarHBondContact O-CG 3.46Å; L902-L906 PolarHBondContact O-N 2.82Å; L902-L923 HydrophobicContact CD2-CD2 3.43Å; L902-L923 VanDerWaalsContact CD2-CD2 3.43Å; L902-I926 HydrophobicContact CD1-CG2 4.48Å; L902-I926 HydrophobicContact CD2-CG1 4.21Å; L902-L1016 HydrophobicContact CD1-CD1 3.75Å; L902-L1016 HydrophobicContact CD1-CD2 4.07Å; L902-L1016 HydrophobicContact CD1-CG 4.43Å; L902-M1020 HydrophobicContact CB-SD 4.2Å; L902-M1020 HydrophobicContact CD1-SD 4.36Å
903	T	96.9	Very high	92.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.2	-40.4	176.1	-56.8	0	0	0	0	112.4	F877 K887 V890 A891 E899 L900 L901 M905 L906 F907	F877-T903 HydrophobicContact CE1-CG2 3.67Å; F877-T903 HydrophobicContact CZ-CG2 3.94Å; K887-T903 HydrophobicContact CG-CG2 3.5Å; V890-T903 HydrophobicContact CB-CG2 4.33Å; V890-T903 HydrophobicContact CG1-CG2 4.07Å; A891-T903 HydrophobicContact CB-CG2 4.3Å; A891-T903 WeakPolarHBondContact CB-OG1 3.45Å; E899-T903 VanDerWaalsContact O-CB 3.25Å; E899-T903 WeakPolarHBondContact O-CB 3.49Å; E899-T903 PolarHBondContact O-OG1 3.21Å; L900-T903 PolarHBondContact O-N 2.99Å; L901-T903 VanDerWaalsContact C-N 3.31Å; L901-T903 PolarHBondContact O-N 2.89Å; T903-M905 VanDerWaalsContact C-N 3.31Å; T903-M905 PolarHBondContact O-N 3.23Å; T903-L906 PolarHBondContact O-N 3.09Å; T903-F907 HydrophobicContact CG2-CD2 3.88Å; T903-F907 HydrophobicContact CG2-CE2 3.92Å; T903-F907 WeakPolarHBondContact O-CD2 3.02Å; T903-F907 PolarHBondContact O-N 3.38Å; T903-F907 VanDerWaalsContact O-N 3.11Å
904	E	96	Very high	92.8	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-57.8	-45.7	170.2	-69.6	-70.6	155.7	0	0	110.6	F877 K887 L900 L901 L906 F907 D908 T951 R954 I955	F877-E904 WeakPolarHBondContact CE2-OE1 3.21Å; K887-E904 WeakPolarHBondContact CE-OE1 3.34Å; K887-E904 IonicContact NZ-OE1 3.09Å; K887-E904 PolarHBondContact NZ-OE1 3.22Å; K887-E904 IonicContact NZ-OE2 3.93Å; K887-E904 PolarHBondContact NZ-OE2 3.2Å; L900-E904 WeakPolarHBondContact O-CG 3.42Å; L900-E904 PolarHBondContact O-N 3.3Å; L901-E904 PolarHBondContact O-N 2.89Å; E904-L906 PolarHBondContact O-N 3.23Å; E904-F907 PolarHBondContact O-N 2.93Å; E904-D908 WeakPolarHBondContact O-CB 3.43Å; E904-D908 PolarHBondContact O-N 2.79Å; E904-T951 HydrophobicContact CB-CG2 3.73Å; E904-T951 HydrophobicContact CG-CG2 4.38Å; E904-R954 IonicContact OE2-CZ 2.81Å; E904-R954 IonicContact OE2-NH1 2.69Å; E904-R954 PolarHBondContact OE2-NH1 3.49Å; E904-I955 HydrophobicContact CG-CD1 4.2Å
905	M	94.5	Very high	92.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-33.7	179.6	-68	-178	61.3	0	0	114	L901 L902 T903 K910 F911 V922 Y947 M948	L901-M905 HydrophobicContact CD1-CG 4.36Å; L901-M905 HydrophobicContact CD1-SD 4.19Å; L901-M905 HydrophobicContact CG-SD 4.26Å; L901-M905 VanDerWaalsContact O-CG 3.25Å; L901-M905 WeakPolarHBondContact O-CG 3.21Å; L901-M905 PolarHBondContact O-N 3.44Å; L902-M905 PolarHBondContact O-N 3.35Å; T903-M905 VanDerWaalsContact C-N 3.31Å; T903-M905 PolarHBondContact O-N 3.23Å; M905-K910 PolarHBondContact O-N 2.93Å; M905-F911 HydrophobicContact CB-CE2 3.71Å; M905-F911 HydrophobicContact CB-CZ 4.36Å; M905-F911 HydrophobicContact CE-CE2 4.29Å; M905-F911 HydrophobicContact CE-CZ 3.9Å; M905-V922 HydrophobicContact CE-CG1 4.35Å; M905-Y947 HydrophobicContact CE-CD1 4.4Å; M905-Y947 HydrophobicContact CE-CE1 4.37Å; M905-Y947 HydrophobicContact CG-CE1 3.99Å; M905-M948 HydrophobicContact CE-CB 4.46Å; M905-M948 HydrophobicContact CE-CE 3.77Å; M905-M948 HydrophobicContact SD-CB 4.23Å; M905-M948 HydrophobicContact SD-CE 3.84Å; M905-M948 HydrophobicContact SD-CG 3.87Å
906	L	95	Very high	93.1	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-50	172.2	-82.5	167	0	0	0	111.6	V890 I894 L902 T903 E904 G909 F911 M1020 A1023 M1027 L1032 F1036	V890-L906 HydrophobicContact CG1-CD1 3.93Å; I894-L906 HydrophobicContact CD1-CD1 4.42Å; L902-L906 WeakPolarHBondContact O-CG 3.46Å; L902-L906 PolarHBondContact O-N 2.82Å; T903-L906 PolarHBondContact O-N 3.09Å; E904-L906 PolarHBondContact O-N 3.23Å; L906-G909 PolarHBondContact O-N 2.84Å; L906-G909 VanDerWaalsContact O-N 3.11Å; L906-F911 HydrophobicContact CD2-CD2 4.05Å; L906-F911 HydrophobicContact CG-CD2 4.34Å; L906-F911 HydrophobicContact CG-CE2 4.4Å; L906-M1020 HydrophobicContact CD1-CE 3.89Å; L906-M1020 HydrophobicContact CD1-SD 4.11Å; L906-M1020 HydrophobicContact CD2-CE 3.95Å; L906-M1020 HydrophobicContact CG-CE 3.86Å; L906-A1023 HydrophobicContact CD1-CB 4.12Å; L906-M1027 HydrophobicContact CB-SD 4.37Å; L906-M1027 HydrophobicContact CD2-CE 4.28Å; L906-L1032 HydrophobicContact CD2-CD1 4.2Å; L906-F1036 HydrophobicContact CD2-CE2 3.84Å; L906-F1036 HydrophobicContact CD2-CZ 4.01Å
907	F	95	Very high	93.6	Very high	80 Å²	80	30.8 Å²	30.8	35%	0.351	18%	0.177	S	C	.	.	H	α-helix	trans	-72.5	-27.4	-177.5	-83.5	-98.6	0	0	0	113.3	L886 K887 V890 T903 E904 G909 M1027	L886-F907 HydrophobicContact CD2-CZ 4.48Å; L886-F907 HydrophobicContact CG-CZ 4.28Å; K887-F907 HydrophobicContact CB-CE1 4.48Å; K887-F907 HydrophobicContact CB-CE2 4.09Å; K887-F907 HydrophobicContact CB-CZ 4Å; K887-F907 HydrophobicContact CG-CD2 3.95Å; K887-F907 HydrophobicContact CG-CE2 3.81Å; K887-F907 HydrophobicContact CG-CG 4.43Å; K887-F907 HydrophobicContact CG-CZ 4.18Å; V890-F907 HydrophobicContact CB-CE2 4.12Å; V890-F907 HydrophobicContact CG1-CE2 4.17Å; V890-F907 HydrophobicContact CG2-CE2 4.01Å; V890-F907 HydrophobicContact CG2-CZ 4.22Å; T903-F907 HydrophobicContact CG2-CD2 3.88Å; T903-F907 HydrophobicContact CG2-CE2 3.92Å; T903-F907 WeakPolarHBondContact O-CD2 3.02Å; T903-F907 PolarHBondContact O-N 3.38Å; T903-F907 VanDerWaalsContact O-N 3.11Å; E904-F907 PolarHBondContact O-N 2.93Å; F907-G909 PolarHBondContact O-N 3.01Å; F907-M1027 HydrophobicContact CD2-SD 4.1Å; F907-M1027 HydrophobicContact CE2-CG 4.43Å; F907-M1027 HydrophobicContact CE2-SD 3.94Å; F907-M1027 HydrophobicContact CG-SD 4.5Å; F907-M1027 HydrophobicContact CZ-CG 4.2Å; F907-M1027 HydrophobicContact CZ-SD 4.17Å
908	D	93.4	Very high	93.9	Very high	73 Å²	73	30 Å²	30	39%	0.39	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	1.2	170.2	-79.5	-7.7	0	0	0	113.3	E904 K910 Y947	E904-D908 WeakPolarHBondContact O-CB 3.43Å; E904-D908 PolarHBondContact O-N 2.79Å; D908-K910 VanDerWaalsContact C-N 3.29Å; D908-K910 HydrophobicContact CB-CG 4.28Å; D908-K910 PolarHBondContact O-N 3.25Å; D908-Y947 WeakPolarHBondContact CB-OH 3.48Å; D908-Y947 VanDerWaalsContact CG-OH 3.28Å; D908-Y947 PolarHBondContact OD2-OH 3.32Å
909	G	91.2	Very high	93.9	Very high	32 Å²	32	28.5 Å²	28.5	33%	0.33	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	8.3	172.1	0	0	0	0	0	115.7	L906 F907 F911 A912	L906-G909 PolarHBondContact O-N 2.84Å; L906-G909 VanDerWaalsContact O-N 3.11Å; F907-G909 PolarHBondContact O-N 3.01Å; G909-F911 VanDerWaalsContact C-N 3.27Å; G909-F911 PolarHBondContact O-N 3.28Å; G909-A912 WeakPolarHBondContact O-CB 3.5Å; G909-A912 PolarHBondContact O-N 2.68Å
910	K	87	Confident	94	Very high	77 Å²	77	27.2 Å²	27.2	34%	0.335	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.6	-167.4	-60.9	-47.5	-176	-169.1	0	115.8	M905 D908 A912 F944 Y947	M905-K910 PolarHBondContact O-N 2.93Å; D908-K910 VanDerWaalsContact C-N 3.29Å; D908-K910 HydrophobicContact CB-CG 4.28Å; D908-K910 PolarHBondContact O-N 3.25Å; K910-A912 VanDerWaalsContact C-N 3.32Å; K910-F944 HydrophobicContact CB-CE1 4.01Å; K910-F944 HydrophobicContact CB-CZ 4.49Å; K910-F944 WeakPolarHBondContact O-CE1 3.33Å; K910-F944 WeakPolarHBondContact O-CZ 3.23Å; K910-Y947 HydrophobicContact CB-CE1 4.15Å; K910-Y947 HydrophobicContact CG-CD1 4.12Å; K910-Y947 HydrophobicContact CG-CE1 3.45Å; K910-Y947 VanDerWaalsContact CG-CE1 3.45Å; K910-Y947 HydrophobicContact CG-CE2 4.21Å
911	F	92.4	Very high	94	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.3	172.2	-63.6	-76	0	0	0	113.2	M905 L906 G909 L914 L923 M1020 L1032 K1035 F1036	M905-F911 HydrophobicContact CB-CE2 3.71Å; M905-F911 HydrophobicContact CB-CZ 4.36Å; M905-F911 HydrophobicContact CE-CE2 4.29Å; M905-F911 HydrophobicContact CE-CZ 3.9Å; L906-F911 HydrophobicContact CD2-CD2 4.05Å; L906-F911 HydrophobicContact CG-CD2 4.34Å; L906-F911 HydrophobicContact CG-CE2 4.4Å; G909-F911 VanDerWaalsContact C-N 3.27Å; G909-F911 PolarHBondContact O-N 3.28Å; F911-L914 HydrophobicContact CD1-CD1 4.26Å; F911-L923 HydrophobicContact CE1-CD2 4.08Å; F911-L923 HydrophobicContact CE1-CG 4.18Å; F911-L923 HydrophobicContact CZ-CD2 3.86Å; F911-L923 HydrophobicContact CZ-CG 4.47Å; F911-M1020 HydrophobicContact CD2-CE 4.41Å; F911-M1020 HydrophobicContact CE2-CE 3.84Å; F911-M1020 HydrophobicContact CZ-CE 4.03Å; F911-L1032 HydrophobicContact CB-CD2 3.73Å; F911-K1035 PolarHBondContact O-NZ 3.32Å; F911-F1036 HydrophobicContact CB-CE1 4.37Å; F911-F1036 HydrophobicContact CB-CZ 3.92Å; F911-F1036 AromaticContact CD1-CE1 3.91Å; F911-F1036 HydrophobicContact CD1-CE1 3.91Å; F911-F1036 HydrophobicContact CD1-CZ 4.05Å; F911-F1036 HydrophobicContact CD2-CZ 4.07Å; F911-F1036 HydrophobicContact CE1-CE1 4.36Å; F911-F1036 HydrophobicContact CG-CE1 4.1Å; F911-F1036 AromaticContact CG-CZ 3.76Å; F911-F1036 HydrophobicContact CG-CZ 3.76Å
912	A	89.5	Confident	93.9	Very high	46 Å²	46	27.2 Å²	27.2	38%	0.38	16%	0.155	S	C	.	.	S	Bend	trans	-67.5	-39.1	179.3	0	0	0	0	0	112.4	G909 K910 L914 K1035	G909-A912 WeakPolarHBondContact O-CB 3.5Å; G909-A912 PolarHBondContact O-N 2.68Å; K910-A912 VanDerWaalsContact C-N 3.32Å; A912-L914 VanDerWaalsContact C-N 3.35Å; A912-L914 PolarHBondContact O-N 3.14Å; A912-K1035 PolarHBondContact O-NZ 2.93Å
913	D	86.7	Confident	93.9	Very high	139 Å²	139	27.2 Å²	27.2	74%	0.743	16%	0.155	S	C	*	.	S	Bend	trans	-84.5	-6.4	-176.7	-56	-43.1	0	0	0	114.1
914	L	92.3	Very high	93.9	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.037	16%	0.155	C	C	.	.	S	Bend	trans	-90.2	149.4	-178.1	-70.3	-173.9	0	0	0	113	F911 A912 T918 C919 V922 F944 K1035	F911-L914 HydrophobicContact CD1-CD1 4.26Å; A912-L914 VanDerWaalsContact C-N 3.35Å; A912-L914 PolarHBondContact O-N 3.14Å; L914-T918 HydrophobicContact CD1-CG2 4.1Å; L914-T918 HydrophobicContact CD2-CG2 3.49Å; L914-T918 VanDerWaalsContact CD2-CG2 3.49Å; L914-T918 HydrophobicContact CG-CG2 4.3Å; L914-C919 WeakPolarHBondContact CB-SG 3.5Å; L914-V922 HydrophobicContact CD1-CG2 4.25Å; L914-F944 HydrophobicContact CD1-CD1 4.09Å; L914-F944 HydrophobicContact CD1-CE1 3.58Å; L914-F944 HydrophobicContact CD1-CE2 4.31Å; L914-F944 HydrophobicContact CD1-CZ 3.71Å; L914-F944 HydrophobicContact CD2-CD2 4.09Å; L914-F944 HydrophobicContact CD2-CE1 4.24Å; L914-F944 HydrophobicContact CD2-CE2 3.43Å; L914-F944 VanDerWaalsContact CD2-CE2 3.43Å; L914-F944 HydrophobicContact CD2-CZ 3.52Å; L914-F944 HydrophobicContact CG-CE1 3.96Å; L914-F944 HydrophobicContact CG-CE2 4.02Å; L914-F944 HydrophobicContact CG-CZ 3.53Å; L914-K1035 WeakPolarHBondContact O-CD 3.39Å; L914-K1035 WeakPolarHBondContact O-CE 3.49Å; L914-K1035 PolarHBondContact O-NZ 2.9Å
915	D	94.5	Very high	93.9	Very high	58 Å²	58	27.1 Å²	27.1	31%	0.31	15%	0.154	S	C	.	.			trans	-77.7	165	162.7	67.2	87.3	0	0	0	111.4	S917 T918 C919	D915-S917 PolarHBondContact O-N 3.08Å; D915-S917 WeakPolarHBondContact OD1-CA 3.49Å; D915-S917 VanDerWaalsContact OD1-CB 3.27Å; D915-S917 WeakPolarHBondContact OD1-CB 3.41Å; D915-S917 PolarHBondContact OD1-N 3.3Å; D915-T918 PolarHBondContact O-N 2.73Å; D915-T918 PolarHBondContact OD1-N 2.77Å; D915-T918 PolarHBondContact OD1-OG1 3.47Å; D915-T918 WeakPolarHBondContact OD2-CB 3.34Å; D915-T918 PolarHBondContact OD2-OG1 2.76Å; D915-C919 PolarHBondContact O-N 3.44Å; D915-C919 PolarHBondContact O-SG 3.18Å
916	P	96.4	Very high	93.9	Very high	39 Å²	39	28.4 Å²	28.4	25%	0.253	16%	0.161	S	C	.	.	H	α-helix	trans	-59.8	-39.4	-179.9	-24.8	35	0	0	0	114.6	C919 A920 K1035 D1038 A1039	P916-C919 WeakPolarHBondContact O-CB 3.44Å; P916-C919 PolarHBondContact O-N 2.9Å; P916-A920 PolarHBondContact O-N 3.05Å; P916-A920 VanDerWaalsContact O-N 3.08Å; P916-K1035 HydrophobicContact CG-CG 4.25Å; P916-D1038 HydrophobicContact CB-CB 4.22Å; P916-D1038 HydrophobicContact CG-CB 4.04Å; P916-A1039 HydrophobicContact CB-CB 3.94Å; P916-A1039 VanDerWaalsContact O-CB 3.31Å; P916-A1039 WeakPolarHBondContact O-CB 3.42Å
917	S	96.5	Very high	93.8	Very high	9 Å²	9	28.4 Å²	28.4	6%	0.063	16%	0.161	C	C	.	.	H	α-helix	trans	-65.8	-42.4	-179.8	-63.5	0	0	0	0	111.5	D915 A921 C987 E988	D915-S917 PolarHBondContact O-N 3.08Å; D915-S917 WeakPolarHBondContact OD1-CA 3.49Å; D915-S917 VanDerWaalsContact OD1-CB 3.27Å; D915-S917 WeakPolarHBondContact OD1-CB 3.41Å; D915-S917 PolarHBondContact OD1-N 3.3Å; S917-A921 WeakPolarHBondContact O-CB 3.27Å; S917-A921 PolarHBondContact O-N 2.93Å; S917-C987 VanDerWaalsContact OG-CB 3.22Å; S917-C987 WeakPolarHBondContact OG-CB 3.23Å; S917-E988 VanDerWaalsContact CB-OE1 3.27Å; S917-E988 WeakPolarHBondContact CB-OE1 3.36Å; S917-E988 PolarHBondContact OG-OE1 3.11Å
918	T	95.5	Very high	93.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.4	-33.9	174.4	-57.4	0	0	0	0	112.1	L914 D915 A921 V922 F941	L914-T918 HydrophobicContact CD1-CG2 4.1Å; L914-T918 HydrophobicContact CD2-CG2 3.49Å; L914-T918 VanDerWaalsContact CD2-CG2 3.49Å; L914-T918 HydrophobicContact CG-CG2 4.3Å; D915-T918 PolarHBondContact O-N 2.73Å; D915-T918 PolarHBondContact OD1-N 2.77Å; D915-T918 PolarHBondContact OD1-OG1 3.47Å; D915-T918 WeakPolarHBondContact OD2-CB 3.34Å; D915-T918 PolarHBondContact OD2-OG1 2.76Å; T918-A921 PolarHBondContact O-N 3.32Å; T918-V922 HydrophobicContact CG2-CG2 4.13Å; T918-V922 WeakPolarHBondContact O-CB 3.37Å; T918-V922 WeakPolarHBondContact O-CG2 3.34Å; T918-V922 PolarHBondContact O-N 2.94Å; T918-F941 HydrophobicContact CG2-CD1 4.23Å; T918-F941 HydrophobicContact CG2-CE1 3.95Å
919	C	95.6	Very high	93.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.4	-50.7	172.3	-71.1	0	0	0	0	111.5	L914 D915 P916 A921 V922 L923 F1036	L914-C919 WeakPolarHBondContact CB-SG 3.5Å; D915-C919 PolarHBondContact O-N 3.44Å; D915-C919 PolarHBondContact O-SG 3.18Å; P916-C919 WeakPolarHBondContact O-CB 3.44Å; P916-C919 PolarHBondContact O-N 2.9Å; C919-A921 VanDerWaalsContact C-N 3.34Å; C919-A921 PolarHBondContact O-N 2.83Å; C919-V922 PolarHBondContact O-N 2.74Å; C919-L923 WeakPolarHBondContact O-CB 3.49Å; C919-L923 WeakPolarHBondContact O-CG 3.12Å; C919-L923 PolarHBondContact O-N 2.83Å; C919-F1036 HydrophobicContact CB-CD1 4.48Å; C919-F1036 HydrophobicContact CB-CE1 4.37Å
920	A	96.9	Very high	93.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.3	-45.1	175.4	0	0	0	0	0	111.6	P916 V922 L923 S924 V983 C987 L1013 L1017 A1039	P916-A920 PolarHBondContact O-N 3.05Å; P916-A920 VanDerWaalsContact O-N 3.08Å; A920-V922 PolarHBondContact O-N 3.2Å; A920-L923 PolarHBondContact O-N 3.25Å; A920-S924 PolarHBondContact O-N 2.68Å; A920-V983 HydrophobicContact CB-CG1 3.82Å; A920-C987 VanDerWaalsContact CB-SG 3.59Å; A920-L1013 HydrophobicContact CB-CD2 4.34Å; A920-L1013 WeakPolarHBondContact O-CD2 3.39Å; A920-L1017 HydrophobicContact CB-CD1 4.17Å; A920-A1039 HydrophobicContact CB-CB 4.38Å
921	A	96.4	Very high	92.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-47.4	178.6	0	0	0	0	0	112.4	S917 T918 C919 S924 F941 M980 H984	S917-A921 WeakPolarHBondContact O-CB 3.27Å; S917-A921 PolarHBondContact O-N 2.93Å; T918-A921 PolarHBondContact O-N 3.32Å; C919-A921 VanDerWaalsContact C-N 3.34Å; C919-A921 PolarHBondContact O-N 2.83Å; A921-S924 VanDerWaalsContact O-CB 3.32Å; A921-S924 WeakPolarHBondContact O-CB 3.31Å; A921-S924 PolarHBondContact O-N 3.29Å; A921-S924 PolarHBondContact O-OG 3.46Å; A921-F941 HydrophobicContact CB-CE1 4.35Å; A921-F941 HydrophobicContact CB-CZ 4.33Å; A921-M980 HydrophobicContact CB-CB 4.38Å; A921-M980 WeakPolarHBondContact CB-O 3.41Å; A921-M980 WeakPolarHBondContact O-CG 3.36Å; A921-H984 HydrophobicContact CB-CB 3.92Å
922	V	94.9	Very high	92.7	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-42.2	178.5	171.7	0	0	0	0	111.8	M905 L914 T918 C919 A920 S924 C925 F944 M948 M980	M905-V922 HydrophobicContact CE-CG1 4.35Å; L914-V922 HydrophobicContact CD1-CG2 4.25Å; T918-V922 HydrophobicContact CG2-CG2 4.13Å; T918-V922 WeakPolarHBondContact O-CB 3.37Å; T918-V922 WeakPolarHBondContact O-CG2 3.34Å; T918-V922 PolarHBondContact O-N 2.94Å; C919-V922 PolarHBondContact O-N 2.74Å; A920-V922 PolarHBondContact O-N 3.2Å; V922-S924 PolarHBondContact O-N 3.28Å; V922-C925 WeakPolarHBondContact O-CB 3.43Å; V922-C925 PolarHBondContact O-N 3.5Å; V922-C925 PolarHBondContact O-SG 2.88Å; V922-C925 VanDerWaalsContact O-SG 3.4Å; V922-F944 HydrophobicContact CG1-CD1 4.19Å; V922-F944 HydrophobicContact CG2-CB 3.91Å; V922-F944 HydrophobicContact CG2-CD1 4.15Å; V922-F944 HydrophobicContact CG2-CG 4.08Å; V922-M948 HydrophobicContact CG1-CE 3.52Å; V922-M980 HydrophobicContact CG2-CE 3.86Å
923	L	96.3	Very high	92.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-25	177.9	-70.6	172.1	0	0	0	112.9	L902 F911 C919 A920 C925 I926 L1013 L1016 L1017 M1020 F1036	L902-L923 HydrophobicContact CD2-CD2 3.43Å; L902-L923 VanDerWaalsContact CD2-CD2 3.43Å; F911-L923 HydrophobicContact CE1-CD2 4.08Å; F911-L923 HydrophobicContact CE1-CG 4.18Å; F911-L923 HydrophobicContact CZ-CD2 3.86Å; F911-L923 HydrophobicContact CZ-CG 4.47Å; C919-L923 WeakPolarHBondContact O-CB 3.49Å; C919-L923 WeakPolarHBondContact O-CG 3.12Å; C919-L923 PolarHBondContact O-N 2.83Å; A920-L923 PolarHBondContact O-N 3.25Å; L923-C925 PolarHBondContact O-N 3.5Å; L923-C925 VanDerWaalsContact O-N 3.12Å; L923-I926 PolarHBondContact O-N 3.04Å; L923-I926 VanDerWaalsContact O-N 3.13Å; L923-L1013 HydrophobicContact CB-CD1 3.53Å; L923-L1016 HydrophobicContact CB-CD2 4.38Å; L923-L1016 HydrophobicContact CD2-CD2 4.37Å; L923-L1017 HydrophobicContact CD1-CD2 3.58Å; L923-L1017 HydrophobicContact CD1-CG 4.2Å; L923-M1020 HydrophobicContact CD1-CG 4.25Å; L923-M1020 HydrophobicContact CD2-CE 4.13Å; L923-F1036 HydrophobicContact CD1-CD1 4.31Å; L923-F1036 HydrophobicContact CD1-CE1 4.15Å
924	S	96.2	Very high	92.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-26.7	175.4	82.6	0	0	0	0	113.8	A920 A921 V922 I926 V927 F928 M980	A920-S924 PolarHBondContact O-N 2.68Å; A921-S924 VanDerWaalsContact O-CB 3.32Å; A921-S924 WeakPolarHBondContact O-CB 3.31Å; A921-S924 PolarHBondContact O-N 3.29Å; A921-S924 PolarHBondContact O-OG 3.46Å; V922-S924 PolarHBondContact O-N 3.28Å; S924-I926 PolarHBondContact O-N 3.18Å; S924-V927 PolarHBondContact O-N 3.49Å; S924-F928 VanDerWaalsContact O-CB 3.32Å; S924-F928 WeakPolarHBondContact O-CB 3.45Å; S924-F928 PolarHBondContact O-N 3.41Å; S924-F928 VanDerWaalsContact O-N 3.15Å; S924-M980 PolarHBondContact OG-N 2.91Å
925	C	95.1	Very high	91.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-24.2	178.7	-63.2	0	0	0	0	114.1	V922 L923 M948 I975 R976 M980	V922-C925 WeakPolarHBondContact O-CB 3.43Å; V922-C925 PolarHBondContact O-N 3.5Å; V922-C925 PolarHBondContact O-SG 2.88Å; V922-C925 VanDerWaalsContact O-SG 3.4Å; L923-C925 PolarHBondContact O-N 3.5Å; L923-C925 VanDerWaalsContact O-N 3.12Å; C925-M948 HydrophobicContact CB-CE 4.46Å; C925-M948 HydrophobicContact CB-SD 3.98Å; C925-I975 HydrophobicContact CB-CG2 3.84Å; C925-R976 PolarHBondContact O-N 3.18Å; C925-M980 WeakPolarHBondContact SG-CG 3.49Å; C925-M980 PolarHBondContact SG-SD 3.33Å
926	I	94.5	Very high	91.2	Very high	28 Å²	28	46.4 Å²	46.4	14%	0.144	23%	0.232	C	C	.	.	H	α-helix	trans	-91.2	-39.6	-176.7	-56.6	-55.6	0	0	0	111.2	D898 L901 L902 L923 S924 M948 I975	D898-I926 HydrophobicContact CB-CG2 4.4Å; L901-I926 HydrophobicContact CD2-CD1 3.76Å; L902-I926 HydrophobicContact CD1-CG2 4.48Å; L902-I926 HydrophobicContact CD2-CG1 4.21Å; L923-I926 PolarHBondContact O-N 3.04Å; L923-I926 VanDerWaalsContact O-N 3.13Å; S924-I926 PolarHBondContact O-N 3.18Å; I926-M948 HydrophobicContact CD1-CE 4.28Å; I926-M948 HydrophobicContact CD1-SD 3.64Å; I926-M948 HydrophobicContact CG1-CE 4.37Å; I926-M948 HydrophobicContact CG1-SD 4.31Å; I926-I975 HydrophobicContact CD1-CG1 4.31Å
927	V	93.9	Very high	90.9	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-84.9	-18.2	-176.6	-64.7	0	0	0	0	114	S924 Q929 T1009 R1012 L1013 L1016	S924-V927 PolarHBondContact O-N 3.49Å; V927-Q929 PolarHBondContact O-N 3.38Å; V927-T1009 HydrophobicContact CG2-CG2 4Å; V927-R1012 HydrophobicContact CB-CB 4.13Å; V927-R1012 HydrophobicContact CG1-CB 4.32Å; V927-L1013 HydrophobicContact CG2-CB 3.98Å; V927-L1013 HydrophobicContact CG2-CD1 4.28Å; V927-L1016 HydrophobicContact CG1-CB 4.13Å; V927-L1016 HydrophobicContact CG1-CD2 3.65Å
928	F	93.8	Very high	90.7	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	25%	0.246	C	C	.	.			trans	-82.8	104.1	-177.9	-177.2	-111.9	0	0	0	113	S924 E930 A932 R976 H978 M979 V1001 T1009	S924-F928 VanDerWaalsContact O-CB 3.32Å; S924-F928 WeakPolarHBondContact O-CB 3.45Å; S924-F928 PolarHBondContact O-N 3.41Å; S924-F928 VanDerWaalsContact O-N 3.15Å; F928-E930 WeakPolarHBondContact CE1-O 3.25Å; F928-E930 HydrophobicContact CE2-CB 3.88Å; F928-E930 HydrophobicContact CZ-CB 3.77Å; F928-A932 HydrophobicContact CE1-CB 4.08Å; F928-A932 HydrophobicContact CZ-CB 4.05Å; F928-R976 HydrophobicContact CD1-CB 3.83Å; F928-H978 HydrophobicContact CD1-CB 4.3Å; F928-H978 HydrophobicContact CE1-CB 3.87Å; F928-H978 AromaticContact CE1-ND1 3.71Å; F928-M979 HydrophobicContact CB-CB 4.5Å; F928-M979 HydrophobicContact CB-CG 4.01Å; F928-M979 HydrophobicContact CD1-CG 3.95Å; F928-M979 HydrophobicContact CD2-CG 3.41Å; F928-M979 VanDerWaalsContact CD2-CG 3.41Å; F928-M979 HydrophobicContact CD2-SD 4.26Å; F928-M979 HydrophobicContact CE1-CG 4.31Å; F928-M979 HydrophobicContact CE2-CG 3.8Å; F928-M979 HydrophobicContact CE2-SD 4.12Å; F928-M979 HydrophobicContact CG-CB 4.41Å; F928-M979 HydrophobicContact CG-CG 3.49Å; F928-M979 VanDerWaalsContact CG-CG 3.49Å; F928-M979 HydrophobicContact CZ-CG 4.24Å; F928-V1001 HydrophobicContact CE2-CG1 4.13Å; F928-V1001 HydrophobicContact CE2-CG2 4.19Å; F928-V1001 HydrophobicContact CZ-CG1 4.48Å; F928-V1001 HydrophobicContact CZ-CG2 3.77Å; F928-T1009 HydrophobicContact CB-CG2 3.9Å; F928-T1009 HydrophobicContact CD2-CG2 3.94Å; F928-T1009 HydrophobicContact CG-CG2 4.39Å
929	Q	85.1	Confident	90.5	Very high	108 Å²	108	56.5 Å²	56.5	51%	0.505	28%	0.279	S	S	.	.			trans	-101	-2.4	-172.3	-67.7	174.2	-23	0	0	115.3	V927 R976	V927-Q929 PolarHBondContact O-N 3.38Å; Q929-R976 PolarHBondContact O-NH1 3.44Å
930	E	85.3	Confident	90.3	Very high	43 Å²	43	60.1 Å²	60.1	20%	0.201	30%	0.295	C	S	.	.	S	Bend	trans	-88.8	157.1	-177.8	-63.5	-164.7	-152.8	0	0	112.7	R389 F928 R976 S1005 R1008	R389-E930 IonicContact CZ-OE2 3.64Å; R389-E930 IonicContact NH1-OE1 2.63Å; R389-E930 PolarHBondContact NH1-OE1 3.08Å; R389-E930 IonicContact NH1-OE2 2.77Å; R389-E930 PolarHBondContact NH1-OE2 3.49Å; R389-E930 IonicContact NH2-OE2 3.65Å; R389-E930 PolarHBondContact NH2-OE2 2.8Å; F928-E930 WeakPolarHBondContact CE1-O 3.25Å; F928-E930 HydrophobicContact CE2-CB 3.88Å; F928-E930 HydrophobicContact CZ-CB 3.77Å; E930-R976 WeakPolarHBondContact O-CD 3.42Å; E930-R976 PolarHBondContact O-NH1 3.26Å; E930-S1005 WeakPolarHBondContact OE1-CB 3.47Å; E930-S1005 PolarHBondContact OE1-OG 2.98Å; E930-R1008 IonicContact OE1-NH1 2.73Å
931	K	83.9	Confident	90.1	Very high	181 Å²	181	60.5 Å²	60.5	79%	0.787	30%	0.297	S	S	*	.			trans	-84.9	126.6	171.9	-70.1	-176.8	178.1	178.5	0	108
932	A	86.4	Confident	90	Very high	29 Å²	29	63.3 Å²	63.3	24%	0.24	31%	0.314	C	S	.	.			trans	-131.8	170.6	-179.7	0	0	0	0	0	110.3	F928 H978 V1001	F928-A932 HydrophobicContact CE1-CB 4.08Å; F928-A932 HydrophobicContact CZ-CB 4.05Å; A932-H978 HydrophobicContact CB-CB 3.89Å; A932-V1001 HydrophobicContact CB-CG2 3.71Å
933	E	84.6	Confident	89.8	Confident	125 Å²	125	68.6 Å²	68.6	58%	0.584	34%	0.339	S	S	*	.			trans	-74.8	149.4	171.7	-69.8	166	164.4	0	0	110.3	H978 T1000	E933-H978 PolarHBondContact O-CD2 2.89Å; E933-T1000 WeakPolarHBondContact OE2-CG2 3.48Å; E933-T1000 PolarHBondContact OE2-OG1 2.8Å
934	L	79.7	Confident	89.6	Confident	163 Å²	163	70 Å²	70	85%	0.853	35%	0.345	S	S	*	.			trans	-62.6	142.3	179.6	-70.8	168.2	0	0	0	110.8
935	V	83.3	Confident	89.5	Confident	51 Å²	51	70.8 Å²	70.8	31%	0.309	35%	0.349	S	S	.	.			trans	-120.8	139.6	-177.5	-169.1	0	0	0	0	108.9	L937 H978 P981	V935-L937 PolarHBondContact O-N 2.8Å; V935-H978 HydrophobicContact CG2-CB 4.32Å; V935-P981 HydrophobicContact CG1-CG 3.91Å
936	E	85.1	Confident	89.5	Confident	190 Å²	190	73.2 Å²	73.2	89%	0.888	36%	0.364	S	S	*	.			trans	-67.9	129	171.8	-67.6	-173.1	163.7	0	0	110.1
937	L	90.2	Very high	89.4	Confident	41 Å²	41	74.1 Å²	74.1	22%	0.215	37%	0.366	C	S	.	.			trans	-107	145.3	179.4	-59.7	177.7	0	0	0	109.6	V935 F941 L945 P977 M980 P981	V935-L937 PolarHBondContact O-N 2.8Å; L937-F941 HydrophobicContact CB-CB 4.13Å; L937-F941 HydrophobicContact CD2-CD2 4.34Å; L937-L945 HydrophobicContact CD1-CD2 3.77Å; L937-P977 HydrophobicContact CD1-CB 3.81Å; L937-P977 HydrophobicContact CD1-CG 4.24Å; L937-P977 HydrophobicContact CD2-CB 4.38Å; L937-M980 HydrophobicContact CD1-SD 4.33Å; L937-M980 HydrophobicContact CD2-CB 4.37Å; L937-M980 HydrophobicContact CD2-SD 4.19Å; L937-P981 HydrophobicContact CD2-CG 4.07Å
938	N	91.8	Very high	89.5	Confident	74 Å²	74	74 Å²	74	40%	0.396	37%	0.365	S	S	.	.			trans	-69.7	171.1	169.3	73.1	21.3	0	0	0	110.6	Q940 F941 T942	N938-Q940 PolarHBondContact O-N 3.1Å; N938-Q940 PolarHBondContact OD1-N 2.99Å; N938-F941 PolarHBondContact O-N 2.93Å; N938-F941 VanDerWaalsContact OD1-CB 3.28Å; N938-F941 WeakPolarHBondContact OD1-CB 3.36Å; N938-F941 WeakPolarHBondContact OD1-CD1 3.26Å; N938-F941 WeakPolarHBondContact OD1-CG 3.44Å; N938-F941 PolarHBondContact OD1-N 3.31Å; N938-T942 WeakPolarHBondContact O-CB 3.38Å; N938-T942 PolarHBondContact O-N 3.2Å; N938-T942 PolarHBondContact O-OG1 3.48Å
939	E	91.4	Very high	89.5	Confident	146 Å²	146	76.8 Å²	76.8	68%	0.682	38%	0.378	S	S	*	.	H	α-helix	trans	-62.4	-43.3	-176.3	-161.7	-174.6	157.4	0	0	112.3	F941 T942 Q943	E939-F941 PolarHBondContact O-N 2.89Å; E939-T942 WeakPolarHBondContact O-CB 3.2Å; E939-T942 PolarHBondContact O-N 3.02Å; E939-Q943 VanDerWaalsContact O-CG 3.3Å; E939-Q943 WeakPolarHBondContact O-CG 3.5Å; E939-Q943 PolarHBondContact O-N 2.88Å; E939-Q943 PolarHBondContact OE1-NE2 3.16Å
940	Q	90.7	Very high	90	Very high	75 Å²	75	79.9 Å²	79.9	35%	0.35	39%	0.385	S	S	.	.	H	α-helix	trans	-60.6	-46.7	179.7	-171.4	-178.4	6.2	0	0	112	N938 T942 Q943 F944	N938-Q940 PolarHBondContact O-N 3.1Å; N938-Q940 PolarHBondContact OD1-N 2.99Å; Q940-T942 VanDerWaalsContact C-N 3.34Å; Q940-T942 PolarHBondContact O-N 3.42Å; Q940-Q943 PolarHBondContact O-N 3.44Å; Q940-F944 PolarHBondContact O-N 3.05Å
941	F	93.6	Very high	90.5	Very high	8 Å²	8	78.2 Å²	78.2	4%	0.035	38%	0.378	C	S	.	.	H	α-helix	trans	-63.4	-40.7	175.7	-66.5	-4.9	0	0	0	111.5	T918 A921 L937 N938 E939 F944 L945 M980 P981 H984	T918-F941 HydrophobicContact CG2-CD1 4.23Å; T918-F941 HydrophobicContact CG2-CE1 3.95Å; A921-F941 HydrophobicContact CB-CE1 4.35Å; A921-F941 HydrophobicContact CB-CZ 4.33Å; L937-F941 HydrophobicContact CB-CB 4.13Å; L937-F941 HydrophobicContact CD2-CD2 4.34Å; N938-F941 PolarHBondContact O-N 2.93Å; N938-F941 VanDerWaalsContact OD1-CB 3.28Å; N938-F941 WeakPolarHBondContact OD1-CB 3.36Å; N938-F941 WeakPolarHBondContact OD1-CD1 3.26Å; N938-F941 WeakPolarHBondContact OD1-CG 3.44Å; N938-F941 PolarHBondContact OD1-N 3.31Å; E939-F941 PolarHBondContact O-N 2.89Å; F941-F944 PolarHBondContact O-N 2.96Å; F941-L945 VanDerWaalsContact O-CB 3.31Å; F941-L945 WeakPolarHBondContact O-CB 3.36Å; F941-L945 PolarHBondContact O-N 3.44Å; F941-M980 HydrophobicContact CB-CE 3.48Å; F941-M980 VanDerWaalsContact CB-CE 3.48Å; F941-M980 HydrophobicContact CB-SD 4.15Å; F941-M980 HydrophobicContact CD1-CE 3.94Å; F941-M980 HydrophobicContact CD2-CB 4.06Å; F941-M980 HydrophobicContact CD2-CE 4.29Å; F941-M980 HydrophobicContact CE2-CB 4.32Å; F941-M980 HydrophobicContact CG-CE 3.63Å; F941-P981 HydrophobicContact CE2-CG 4.48Å; F941-H984 AromaticContact CE1-CD2 3.87Å; F941-H984 HydrophobicContact CE2-CB 4.38Å; F941-H984 HydrophobicContact CZ-CB 3.75Å; F941-H984 AromaticContact CZ-CD2 3.55Å; F941-H984 AromaticContact CZ-CG 3.72Å
942	T	93.8	Very high	91.1	Very high	59 Å²	59	69.6 Å²	69.6	36%	0.362	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-44.5	177.3	-56.9	0	0	0	0	111.2	N938 E939 Q940 L945 V946	N938-T942 WeakPolarHBondContact O-CB 3.38Å; N938-T942 PolarHBondContact O-N 3.2Å; N938-T942 PolarHBondContact O-OG1 3.48Å; E939-T942 WeakPolarHBondContact O-CB 3.2Å; E939-T942 PolarHBondContact O-N 3.02Å; Q940-T942 VanDerWaalsContact C-N 3.34Å; Q940-T942 PolarHBondContact O-N 3.42Å; T942-L945 PolarHBondContact O-N 2.99Å; T942-V946 WeakPolarHBondContact O-CB 3.28Å; T942-V946 VanDerWaalsContact O-CG2 3.31Å; T942-V946 WeakPolarHBondContact O-CG2 3.21Å; T942-V946 PolarHBondContact O-N 2.9Å
943	Q	91.5	Very high	91.5	Very high	114 Å²	114	71.9 Å²	71.9	53%	0.533	35%	0.345	S	S	.	.	H	α-helix	trans	-61.3	-44.8	176.1	-70.4	176.8	15.4	0	0	111.6	E939 Q940 V946 Y947	E939-Q943 VanDerWaalsContact O-CG 3.3Å; E939-Q943 WeakPolarHBondContact O-CG 3.5Å; E939-Q943 PolarHBondContact O-N 2.88Å; E939-Q943 PolarHBondContact OE1-NE2 3.16Å; Q940-Q943 PolarHBondContact O-N 3.44Å; Q943-V946 PolarHBondContact O-N 3.07Å; Q943-Y947 PolarHBondContact O-N 2.81Å
944	F	92	Very high	92	Very high	28 Å²	28	71.6 Å²	71.6	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-67.3	-39.9	177.3	-95.4	-91.5	0	0	0	113.6	K910 L914 V922 Q940 F941 Y947 M948	K910-F944 HydrophobicContact CB-CE1 4.01Å; K910-F944 HydrophobicContact CB-CZ 4.49Å; K910-F944 WeakPolarHBondContact O-CE1 3.33Å; K910-F944 WeakPolarHBondContact O-CZ 3.23Å; L914-F944 HydrophobicContact CD1-CD1 4.09Å; L914-F944 HydrophobicContact CD1-CE1 3.58Å; L914-F944 HydrophobicContact CD1-CE2 4.31Å; L914-F944 HydrophobicContact CD1-CZ 3.71Å; L914-F944 HydrophobicContact CD2-CD2 4.09Å; L914-F944 HydrophobicContact CD2-CE1 4.24Å; L914-F944 HydrophobicContact CD2-CE2 3.43Å; L914-F944 VanDerWaalsContact CD2-CE2 3.43Å; L914-F944 HydrophobicContact CD2-CZ 3.52Å; L914-F944 HydrophobicContact CG-CE1 3.96Å; L914-F944 HydrophobicContact CG-CE2 4.02Å; L914-F944 HydrophobicContact CG-CZ 3.53Å; V922-F944 HydrophobicContact CG1-CD1 4.19Å; V922-F944 HydrophobicContact CG2-CB 3.91Å; V922-F944 HydrophobicContact CG2-CD1 4.15Å; V922-F944 HydrophobicContact CG2-CG 4.08Å; Q940-F944 PolarHBondContact O-N 3.05Å; F941-F944 PolarHBondContact O-N 2.96Å; F944-Y947 PolarHBondContact O-N 3.15Å; F944-M948 WeakPolarHBondContact O-CB 3.11Å; F944-M948 PolarHBondContact O-N 3.44Å
945	L	93.7	Very high	92.8	Very high	18 Å²	18	64 Å²	64	9%	0.094	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-48.2	174.7	178.5	64.6	0	0	0	111	L937 F941 T942 Y947 M948 Q949 I975 P977	L937-L945 HydrophobicContact CD1-CD2 3.77Å; F941-L945 VanDerWaalsContact O-CB 3.31Å; F941-L945 WeakPolarHBondContact O-CB 3.36Å; F941-L945 PolarHBondContact O-N 3.44Å; T942-L945 PolarHBondContact O-N 2.99Å; L945-Y947 VanDerWaalsContact C-N 3.28Å; L945-Y947 PolarHBondContact O-N 3.42Å; L945-M948 PolarHBondContact O-N 3.28Å; L945-Q949 HydrophobicContact CD1-CG 4.25Å; L945-Q949 HydrophobicContact CG-CG 4.48Å; L945-Q949 WeakPolarHBondContact O-CB 3.36Å; L945-Q949 VanDerWaalsContact O-CG 3.26Å; L945-Q949 WeakPolarHBondContact O-CG 3.4Å; L945-Q949 PolarHBondContact O-N 3.24Å; L945-I975 HydrophobicContact CD1-CG2 3.8Å; L945-P977 HydrophobicContact CD1-CB 4.13Å; L945-P977 HydrophobicContact CD1-CG 4.34Å; L945-P977 HydrophobicContact CD2-CB 3.84Å; L945-P977 HydrophobicContact CD2-CG 3.74Å
946	V	94.4	Very high	93.3	Very high	52 Å²	52	61.6 Å²	61.6	32%	0.315	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-38	177.2	168.8	0	0	0	0	111.4	T942 Q943 R950	T942-V946 WeakPolarHBondContact O-CB 3.28Å; T942-V946 VanDerWaalsContact O-CG2 3.31Å; T942-V946 WeakPolarHBondContact O-CG2 3.21Å; T942-V946 PolarHBondContact O-N 2.9Å; Q943-V946 PolarHBondContact O-N 3.07Å; V946-R950 WeakPolarHBondContact O-CB 3.36Å; V946-R950 VanDerWaalsContact O-CG 3.23Å; V946-R950 WeakPolarHBondContact O-CG 3.4Å; V946-R950 PolarHBondContact O-N 3.14Å
947	Y	93.8	Very high	93.8	Very high	46 Å²	46	58.5 Å²	58.5	18%	0.18	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-49.7	174.5	174	-96.6	0	0	0	112	M905 D908 K910 Q943 F944 L945 Q949 R950 T951	M905-Y947 HydrophobicContact CE-CD1 4.4Å; M905-Y947 HydrophobicContact CE-CE1 4.37Å; M905-Y947 HydrophobicContact CG-CE1 3.99Å; D908-Y947 WeakPolarHBondContact CB-OH 3.48Å; D908-Y947 VanDerWaalsContact CG-OH 3.28Å; D908-Y947 PolarHBondContact OD2-OH 3.32Å; K910-Y947 HydrophobicContact CB-CE1 4.15Å; K910-Y947 HydrophobicContact CG-CD1 4.12Å; K910-Y947 HydrophobicContact CG-CE1 3.45Å; K910-Y947 VanDerWaalsContact CG-CE1 3.45Å; K910-Y947 HydrophobicContact CG-CE2 4.21Å; Q943-Y947 PolarHBondContact O-N 2.81Å; F944-Y947 PolarHBondContact O-N 3.15Å; L945-Y947 VanDerWaalsContact C-N 3.28Å; L945-Y947 PolarHBondContact O-N 3.42Å; Y947-Q949 VanDerWaalsContact C-N 3.31Å; Y947-Q949 PolarHBondContact O-N 2.63Å; Y947-R950 WeakPolarHBondContact O-CB 3.35Å; Y947-R950 PolarHBondContact O-N 3.1Å; Y947-T951 PolarHBondContact O-N 2.99Å; Y947-T951 PolarHBondContact O-OG1 3.5Å
948	M	94.5	Very high	94	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-57.7	-44	178	-174.7	-176.1	-77.8	0	0	111.5	L901 M905 V922 C925 I926 F944 L945 R950 T951 A952 I975	L901-M948 HydrophobicContact CD1-CG 4.35Å; L901-M948 HydrophobicContact CD2-CG 3.95Å; L901-M948 HydrophobicContact CG-CG 4.42Å; M905-M948 HydrophobicContact CE-CB 4.46Å; M905-M948 HydrophobicContact CE-CE 3.77Å; M905-M948 HydrophobicContact SD-CB 4.23Å; M905-M948 HydrophobicContact SD-CE 3.84Å; M905-M948 HydrophobicContact SD-CG 3.87Å; V922-M948 HydrophobicContact CG1-CE 3.52Å; C925-M948 HydrophobicContact CB-CE 4.46Å; C925-M948 HydrophobicContact CB-SD 3.98Å; I926-M948 HydrophobicContact CD1-CE 4.28Å; I926-M948 HydrophobicContact CD1-SD 3.64Å; I926-M948 HydrophobicContact CG1-CE 4.37Å; I926-M948 HydrophobicContact CG1-SD 4.31Å; F944-M948 WeakPolarHBondContact O-CB 3.11Å; F944-M948 PolarHBondContact O-N 3.44Å; L945-M948 PolarHBondContact O-N 3.28Å; M948-R950 PolarHBondContact O-N 2.96Å; M948-T951 PolarHBondContact O-N 3.48Å; M948-A952 WeakPolarHBondContact O-CB 3.36Å; M948-A952 PolarHBondContact O-N 3.2Å; M948-I975 HydrophobicContact CG-CD1 4.05Å; M948-I975 HydrophobicContact CG-CG2 4.28Å; M948-I975 HydrophobicContact SD-CD1 4.48Å; M948-I975 HydrophobicContact SD-CG1 4.44Å; M948-I975 HydrophobicContact SD-CG2 3.48Å; M948-I975 WeakPolarHBondContact SD-CG2 3.37Å
949	Q	95.3	Very high	94.1	Very high	61 Å²	61	54 Å²	54	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-37.1	175	-69.8	176.7	-21.5	0	0	112.8	L945 Y947 K953 I972 I975	L945-Q949 HydrophobicContact CD1-CG 4.25Å; L945-Q949 HydrophobicContact CG-CG 4.48Å; L945-Q949 WeakPolarHBondContact O-CB 3.36Å; L945-Q949 VanDerWaalsContact O-CG 3.26Å; L945-Q949 WeakPolarHBondContact O-CG 3.4Å; L945-Q949 PolarHBondContact O-N 3.24Å; Y947-Q949 VanDerWaalsContact C-N 3.31Å; Y947-Q949 PolarHBondContact O-N 2.63Å; Q949-K953 VanDerWaalsContact O-CB 3.26Å; Q949-K953 WeakPolarHBondContact O-CB 3.37Å; Q949-K953 PolarHBondContact O-N 2.82Å; Q949-I972 HydrophobicContact CB-CG2 4.21Å; Q949-I972 HydrophobicContact CG-CG2 3.98Å; Q949-I975 HydrophobicContact CG-CD1 4.24Å
950	R	95.7	Very high	94.1	Very high	173 Å²	173	49.4 Å²	49.4	65%	0.653	23%	0.229	S	C	*	.	H	α-helix	trans	-66.2	-39.7	173.4	-75.7	169.3	-178	174	3.1	112.2	V946 Y947 M948 K953 R954	V946-R950 WeakPolarHBondContact O-CB 3.36Å; V946-R950 VanDerWaalsContact O-CG 3.23Å; V946-R950 WeakPolarHBondContact O-CG 3.4Å; V946-R950 PolarHBondContact O-N 3.14Å; Y947-R950 WeakPolarHBondContact O-CB 3.35Å; Y947-R950 PolarHBondContact O-N 3.1Å; M948-R950 PolarHBondContact O-N 2.96Å; R950-K953 WeakPolarHBondContact O-CB 3.43Å; R950-K953 PolarHBondContact O-N 2.97Å; R950-R954 PolarHBondContact O-N 3.49Å
951	T	95.3	Very high	94.2	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-67.4	-44.6	176.7	-55.1	0	0	0	0	110.9	L901 E904 Y947 M948 K953 R954 I955	L901-T951 HydrophobicContact CD1-CG2 3.63Å; E904-T951 HydrophobicContact CB-CG2 3.73Å; E904-T951 HydrophobicContact CG-CG2 4.38Å; Y947-T951 PolarHBondContact O-N 2.99Å; Y947-T951 PolarHBondContact O-OG1 3.5Å; M948-T951 PolarHBondContact O-N 3.48Å; T951-K953 VanDerWaalsContact C-N 3.33Å; T951-K953 PolarHBondContact O-N 3.15Å; T951-R954 WeakPolarHBondContact O-CB 3.38Å; T951-R954 PolarHBondContact O-N 3.24Å; T951-R954 VanDerWaalsContact O-N 3.13Å; T951-I955 HydrophobicContact CG2-CD1 4.42Å; T951-I955 WeakPolarHBondContact O-CG1 3.45Å; T951-I955 PolarHBondContact O-N 2.82Å
952	A	95.5	Very high	94.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.9	-43	172.1	0	0	0	0	0	112	L901 M948 R954 I955 A956 Y971 I975	L901-A952 HydrophobicContact CD1-CB 4.27Å; L901-A952 HydrophobicContact CD2-CB 4.28Å; M948-A952 WeakPolarHBondContact O-CB 3.36Å; M948-A952 PolarHBondContact O-N 3.2Å; A952-R954 VanDerWaalsContact C-N 3.31Å; A952-R954 PolarHBondContact O-N 3.41Å; A952-I955 PolarHBondContact O-N 2.92Å; A952-I955 VanDerWaalsContact O-N 3.16Å; A952-A956 WeakPolarHBondContact O-CB 3.44Å; A952-A956 PolarHBondContact O-N 2.73Å; A952-Y971 HydrophobicContact CB-CD1 3.99Å; A952-Y971 HydrophobicContact CB-CE1 3.65Å; A952-Y971 VanDerWaalsContact O-CE1 3.31Å; A952-Y971 WeakPolarHBondContact O-CE1 3.4Å; A952-I975 HydrophobicContact CB-CD1 3.66Å
953	K	95.7	Very high	93.8	Very high	78 Å²	78	56 Å²	56	34%	0.339	26%	0.261	S	S	.	.	H	α-helix	trans	-58.4	-40.1	174.1	-165.1	172	-154.6	174	0	112.7	Q949 R950 T951 R957 E968 I972	Q949-K953 VanDerWaalsContact O-CB 3.26Å; Q949-K953 WeakPolarHBondContact O-CB 3.37Å; Q949-K953 PolarHBondContact O-N 2.82Å; R950-K953 WeakPolarHBondContact O-CB 3.43Å; R950-K953 PolarHBondContact O-N 2.97Å; T951-K953 VanDerWaalsContact C-N 3.33Å; T951-K953 PolarHBondContact O-N 3.15Å; K953-R957 WeakPolarHBondContact O-CD 3.19Å; K953-R957 VanDerWaalsContact O-CG 3.26Å; K953-R957 WeakPolarHBondContact O-CG 3.44Å; K953-R957 PolarHBondContact O-N 3.47Å; K953-E968 WeakPolarHBondContact CE-OE1 3.47Å; K953-E968 HydrophobicContact CG-CG 4.11Å; K953-E968 IonicContact NZ-OE1 3.1Å; K953-I972 HydrophobicContact CB-CD1 4Å; K953-I972 HydrophobicContact CD-CD1 4.29Å; K953-I972 HydrophobicContact CG-CD1 4.09Å
954	R	95.7	Very high	93.6	Very high	118 Å²	118	51.4 Å²	51.4	45%	0.445	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-44.9	174.2	178.2	-177.7	169.7	-132.9	-6.9	111.6	E904 R950 T951 A952 R957 V958	E904-R954 IonicContact OE2-CZ 2.81Å; E904-R954 IonicContact OE2-NH1 2.69Å; E904-R954 PolarHBondContact OE2-NH1 3.49Å; R950-R954 PolarHBondContact O-N 3.49Å; T951-R954 WeakPolarHBondContact O-CB 3.38Å; T951-R954 PolarHBondContact O-N 3.24Å; T951-R954 VanDerWaalsContact O-N 3.13Å; A952-R954 VanDerWaalsContact C-N 3.31Å; A952-R954 PolarHBondContact O-N 3.41Å; R954-R957 PolarHBondContact O-N 2.96Å; R954-V958 WeakPolarHBondContact O-CG2 3.35Å; R954-V958 PolarHBondContact O-N 2.86Å; R954-V958 VanDerWaalsContact O-N 3.07Å
955	I	95.7	Very high	93.3	Very high	4 Å²	4	56 Å²	56	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-43.4	177.9	-65.1	166	0	0	0	111	L875 L900 L901 E904 T951 A952 R957 V958 S959 Y971	L875-I955 HydrophobicContact CD1-CG1 4.22Å; L875-I955 HydrophobicContact CD1-CG2 4.47Å; L900-I955 HydrophobicContact CB-CD1 4.17Å; L900-I955 HydrophobicContact CD1-CG2 4.2Å; L901-I955 HydrophobicContact CB-CD1 4.03Å; L901-I955 HydrophobicContact CD1-CD1 4.28Å; E904-I955 HydrophobicContact CG-CD1 4.2Å; T951-I955 HydrophobicContact CG2-CD1 4.42Å; T951-I955 WeakPolarHBondContact O-CG1 3.45Å; T951-I955 PolarHBondContact O-N 2.82Å; A952-I955 PolarHBondContact O-N 2.92Å; A952-I955 VanDerWaalsContact O-N 3.16Å; I955-R957 PolarHBondContact O-N 3.25Å; I955-V958 PolarHBondContact O-N 3.04Å; I955-S959 WeakPolarHBondContact O-CB 3.5Å; I955-S959 PolarHBondContact O-N 3.34Å; I955-S959 PolarHBondContact O-OG 3.45Å; I955-Y971 HydrophobicContact CB-CE1 4.29Å; I955-Y971 HydrophobicContact CG2-CE1 4.3Å
956	A	94.8	Very high	93	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-42.7	176.1	0	0	0	0	0	112.3	A952 S959 A960 I966 E968 Y971	A952-A956 WeakPolarHBondContact O-CB 3.44Å; A952-A956 PolarHBondContact O-N 2.73Å; A956-S959 WeakPolarHBondContact O-CB 3.45Å; A956-S959 PolarHBondContact O-N 2.93Å; A956-A960 WeakPolarHBondContact O-CB 3.33Å; A956-A960 PolarHBondContact O-N 3.19Å; A956-I966 HydrophobicContact CB-CD1 4.37Å; A956-E968 HydrophobicContact CB-CB 4.35Å; A956-E968 HydrophobicContact CB-CG 4.1Å; A956-Y971 HydrophobicContact CB-CD1 3.96Å
957	R	94.5	Very high	92.7	Very high	125 Å²	125	59 Å²	59	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-47.8	176.3	-72.5	168.5	177.8	-152.2	-11.4	112.9	K953 R954 I955 S959 A960 E961 E968	K953-R957 WeakPolarHBondContact O-CD 3.19Å; K953-R957 VanDerWaalsContact O-CG 3.26Å; K953-R957 WeakPolarHBondContact O-CG 3.44Å; K953-R957 PolarHBondContact O-N 3.47Å; R954-R957 PolarHBondContact O-N 2.96Å; I955-R957 PolarHBondContact O-N 3.25Å; R957-S959 PolarHBondContact O-N 3.46Å; R957-A960 PolarHBondContact O-N 3.36Å; R957-E961 WeakPolarHBondContact O-CB 3.36Å; R957-E961 VanDerWaalsContact O-CG 3.31Å; R957-E961 WeakPolarHBondContact O-CG 3.4Å; R957-E961 PolarHBondContact O-N 3.49Å; R957-E968 WeakPolarHBondContact CG-OE2 3.48Å; R957-E968 IonicContact CZ-OE2 3.06Å; R957-E968 IonicContact NE-OE2 3.04Å; R957-E968 PolarHBondContact NE-OE2 3.44Å; R957-E968 IonicContact NH2-OE1 2.89Å; R957-E968 IonicContact NH2-OE2 3.54Å
958	V	94.6	Very high	92.5	Very high	18 Å²	18	59.3 Å²	59.3	11%	0.109	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-33.6	176	173.8	0	0	0	0	111.3	V871 R874 L875 R954 I955	V871-V958 HydrophobicContact CG1-CG1 4.29Å; R874-V958 HydrophobicContact CB-CG1 3.92Å; L875-V958 HydrophobicContact CD2-CB 4.5Å; L875-V958 HydrophobicContact CD2-CG1 4.31Å; L875-V958 HydrophobicContact CD2-CG2 4.22Å; L875-V958 HydrophobicContact CG-CG1 4.32Å; R954-V958 WeakPolarHBondContact O-CG2 3.35Å; R954-V958 PolarHBondContact O-N 2.86Å; R954-V958 VanDerWaalsContact O-N 3.07Å; I955-V958 PolarHBondContact O-N 3.04Å
959	S	94.5	Very high	92.3	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-72.6	-43.8	175.5	-57	0	0	0	0	112.7	I955 A956 R957 V962 L964	I955-S959 WeakPolarHBondContact O-CB 3.5Å; I955-S959 PolarHBondContact O-N 3.34Å; I955-S959 PolarHBondContact O-OG 3.45Å; A956-S959 WeakPolarHBondContact O-CB 3.45Å; A956-S959 PolarHBondContact O-N 2.93Å; R957-S959 PolarHBondContact O-N 3.46Å; S959-V962 WeakPolarHBondContact O-CG2 3.45Å; S959-V962 PolarHBondContact O-N 3.28Å; S959-L964 WeakPolarHBondContact O-CB 3.49Å; S959-L964 PolarHBondContact O-N 3.45Å
960	A	91.9	Very high	92	Very high	50 Å²	50	68.6 Å²	68.6	41%	0.413	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-40.5	175.8	0	0	0	0	0	112	A956 R957 V962 N963	A956-A960 WeakPolarHBondContact O-CB 3.33Å; A956-A960 PolarHBondContact O-N 3.19Å; R957-A960 PolarHBondContact O-N 3.36Å; A960-V962 PolarHBondContact O-N 2.96Å; A960-V962 VanDerWaalsContact O-N 3.1Å; A960-N963 PolarHBondContact O-N 3.16Å
961	E	92.8	Very high	91.8	Very high	117 Å²	117	62 Å²	62	55%	0.547	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.2	175.9	-75.4	173.3	-140.9	0	0	114.1	R874 R957	R874-E961 IonicContact CZ-OE2 2.66Å; R874-E961 IonicContact NH1-OE2 2.92Å; R874-E961 PolarHBondContact NH1-OE2 3.41Å; R874-E961 IonicContact NH2-OE2 3.54Å; R874-E961 PolarHBondContact NH2-OE2 2.93Å; R957-E961 WeakPolarHBondContact O-CB 3.36Å; R957-E961 VanDerWaalsContact O-CG 3.31Å; R957-E961 WeakPolarHBondContact O-CG 3.4Å; R957-E961 PolarHBondContact O-N 3.49Å
962	V	91.1	Very high	91.7	Very high	12 Å²	12	63.1 Å²	63.1	7%	0.073	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	17.1	175.4	-56.7	0	0	0	0	113.4	A867 R870 V871 S959 A960 L964	A867-V962 HydrophobicContact CB-CG2 4.29Å; R870-V962 HydrophobicContact CB-CB 4.25Å; R870-V962 HydrophobicContact CB-CG1 3.87Å; R870-V962 PolarHBondContact NH2-O 3.12Å; V871-V962 HydrophobicContact CG2-CG2 3.57Å; S959-V962 WeakPolarHBondContact O-CG2 3.45Å; S959-V962 PolarHBondContact O-N 3.28Å; A960-V962 PolarHBondContact O-N 2.96Å; A960-V962 VanDerWaalsContact O-N 3.1Å; V962-L964 VanDerWaalsContact C-N 3.34Å; V962-L964 HydrophobicContact CG2-CB 4.32Å
963	N	88	Confident	91.4	Very high	151 Å²	151	66.1 Å²	66.1	81%	0.807	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	29.6	-178.2	-59.8	-35.1	0	0	0	114.8	A960	A960-N963 PolarHBondContact O-N 3.16Å
964	L	87.3	Confident	91.2	Very high	18 Å²	18	65.1 Å²	65.1	9%	0.094	35%	0.345	C	S	.	.			trans	-82.4	127.4	174.6	-145.6	155.7	0	0	0	109.1	A867 R868 V871 S959 V962 I966	A867-L964 HydrophobicContact CB-CB 4.41Å; A867-L964 HydrophobicContact CB-CD1 4.01Å; A867-L964 HydrophobicContact CB-CG 4.22Å; R868-L964 HydrophobicContact CG-CD1 3.74Å; V871-L964 HydrophobicContact CG2-CD1 4.14Å; S959-L964 WeakPolarHBondContact O-CB 3.49Å; S959-L964 PolarHBondContact O-N 3.45Å; V962-L964 VanDerWaalsContact C-N 3.34Å; V962-L964 HydrophobicContact CG2-CB 4.32Å; L964-I966 VanDerWaalsContact C-N 3.33Å; L964-I966 PolarHBondContact O-N 3.44Å
965	P	84.6	Confident	91	Very high	124 Å²	124	59.9 Å²	59.9	81%	0.805	33%	0.326	S	S	*	.			trans	-74.2	82.4	-174.7	30	-36.3	0	0	0	111.7
966	I	86.7	Confident	90.9	Very high	57 Å²	57	62.5 Å²	62.5	29%	0.292	34%	0.336	S	S	.	.			trans	-117.6	137.8	174.4	-166.6	165.7	0	0	0	110.5	A956 L964 Y971	A956-I966 HydrophobicContact CB-CD1 4.37Å; L964-I966 VanDerWaalsContact C-N 3.33Å; L964-I966 PolarHBondContact O-N 3.44Å; I966-Y971 HydrophobicContact CD1-CD1 4.18Å; I966-Y971 HydrophobicContact CD1-CD2 4.22Å; I966-Y971 HydrophobicContact CD1-CG 3.93Å
967	N	88.9	Confident	90.9	Very high	75 Å²	75	63.6 Å²	63.6	40%	0.401	34%	0.342	S	S	.	.			trans	-94	116.9	169.9	-179.4	-32	0	0	0	108.6	D969 E970 Y971	N967-D969 VanDerWaalsContact C-N 3.3Å; N967-D969 PolarHBondContact O-N 2.72Å; N967-D969 PolarHBondContact OD1-N 2.89Å; N967-E970 HydrophobicContact CB-CB 4Å; N967-E970 HydrophobicContact CB-CG 4.09Å; N967-E970 PolarHBondContact O-N 2.87Å; N967-E970 PolarHBondContact OD1-N 2.88Å; N967-E970 VanDerWaalsContact OD1-N 3.16Å; N967-Y971 WeakPolarHBondContact O-CB 3.43Å; N967-Y971 PolarHBondContact O-N 3.29Å
968	E	89.5	Confident	90.9	Very high	53 Å²	53	58.7 Å²	58.7	25%	0.248	33%	0.325	C	S	.	.	H	α-helix	trans	-57.8	-41.6	-178.1	-170.7	177.7	101	0	0	111.3	K953 A956 R957 I972	K953-E968 WeakPolarHBondContact CE-OE1 3.47Å; K953-E968 HydrophobicContact CG-CG 4.11Å; K953-E968 IonicContact NZ-OE1 3.1Å; A956-E968 HydrophobicContact CB-CB 4.35Å; A956-E968 HydrophobicContact CB-CG 4.1Å; R957-E968 WeakPolarHBondContact CG-OE2 3.48Å; R957-E968 IonicContact CZ-OE2 3.06Å; R957-E968 IonicContact NE-OE2 3.04Å; R957-E968 PolarHBondContact NE-OE2 3.44Å; R957-E968 IonicContact NH2-OE1 2.89Å; R957-E968 IonicContact NH2-OE2 3.54Å; E968-I972 HydrophobicContact CG-CD1 4.11Å; E968-I972 WeakPolarHBondContact O-CD1 3.44Å; E968-I972 VanDerWaalsContact O-CG1 3.25Å; E968-I972 WeakPolarHBondContact O-CG1 3.38Å; E968-I972 PolarHBondContact O-N 3.38Å; E968-I972 VanDerWaalsContact O-N 3.09Å
969	D	90	Very high	91	Very high	118 Å²	118	57.9 Å²	57.9	63%	0.631	32%	0.32	S	S	*	.	H	α-helix	trans	-72.7	-41.1	-178.5	-63.8	-42.3	0	0	0	112.3	N967 I972 A973	N967-D969 VanDerWaalsContact C-N 3.3Å; N967-D969 PolarHBondContact O-N 2.72Å; N967-D969 PolarHBondContact OD1-N 2.89Å; D969-I972 PolarHBondContact O-N 2.91Å; D969-A973 WeakPolarHBondContact O-CB 3.48Å; D969-A973 PolarHBondContact O-N 3.09Å
970	E	89.4	Confident	91	Very high	140 Å²	140	57.8 Å²	57.8	65%	0.654	32%	0.319	S	S	*	.	H	α-helix	trans	-67.7	-37.4	176.9	-69.9	-174.9	153.2	0	0	112	N967 A973 S974	N967-E970 HydrophobicContact CB-CB 4Å; N967-E970 HydrophobicContact CB-CG 4.09Å; N967-E970 PolarHBondContact O-N 2.87Å; N967-E970 PolarHBondContact OD1-N 2.88Å; N967-E970 VanDerWaalsContact OD1-N 3.16Å; E970-A973 CarbonylContact O-C 3.56Å; E970-A973 PolarHBondContact O-N 3.44Å; E970-S974 PolarHBondContact O-N 3.15Å
971	Y	91.9	Very high	91.2	Very high	34 Å²	34	56.5 Å²	56.5	13%	0.133	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-42.8	176	-175.3	-123.5	0	0	0	111.3	D898 A952 I955 A956 I966 N967 S974	D898-Y971 WeakPolarHBondContact OD2-CE2 3.28Å; D898-Y971 VanDerWaalsContact OD2-CZ 3.27Å; D898-Y971 PolarHBondContact OD2-OH 2.85Å; A952-Y971 HydrophobicContact CB-CD1 3.99Å; A952-Y971 HydrophobicContact CB-CE1 3.65Å; A952-Y971 VanDerWaalsContact O-CE1 3.31Å; A952-Y971 WeakPolarHBondContact O-CE1 3.4Å; I955-Y971 HydrophobicContact CB-CE1 4.29Å; I955-Y971 HydrophobicContact CG2-CE1 4.3Å; A956-Y971 HydrophobicContact CB-CD1 3.96Å; I966-Y971 HydrophobicContact CD1-CD1 4.18Å; I966-Y971 HydrophobicContact CD1-CD2 4.22Å; I966-Y971 HydrophobicContact CD1-CG 3.93Å; N967-Y971 WeakPolarHBondContact O-CB 3.43Å; N967-Y971 PolarHBondContact O-N 3.29Å; Y971-S974 WeakPolarHBondContact O-CB 3.34Å; Y971-S974 PolarHBondContact O-N 3.36Å; Y971-S974 PolarHBondContact O-OG 3.07Å
972	I	92.4	Very high	91.3	Very high	30 Å²	30	51 Å²	51	15%	0.154	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-40.1	173.3	-68.4	167.3	0	0	0	111.2	Q949 K953 E968 D969 S974 I975	Q949-I972 HydrophobicContact CB-CG2 4.21Å; Q949-I972 HydrophobicContact CG-CG2 3.98Å; K953-I972 HydrophobicContact CB-CD1 4Å; K953-I972 HydrophobicContact CD-CD1 4.29Å; K953-I972 HydrophobicContact CG-CD1 4.09Å; E968-I972 HydrophobicContact CG-CD1 4.11Å; E968-I972 WeakPolarHBondContact O-CD1 3.44Å; E968-I972 VanDerWaalsContact O-CG1 3.25Å; E968-I972 WeakPolarHBondContact O-CG1 3.38Å; E968-I972 PolarHBondContact O-N 3.38Å; E968-I972 VanDerWaalsContact O-N 3.09Å; D969-I972 PolarHBondContact O-N 2.91Å; I972-S974 PolarHBondContact O-N 3.34Å; I972-I975 WeakPolarHBondContact O-CB 3.3Å; I972-I975 PolarHBondContact O-N 2.9Å
973	A	89.4	Confident	91.6	Very high	63 Å²	63	50.4 Å²	50.4	52%	0.521	28%	0.277	S	S	.	.	H	α-helix	trans	-72.6	-8.3	177	0	0	0	0	0	114.4	D969 E970 I975	D969-A973 WeakPolarHBondContact O-CB 3.48Å; D969-A973 PolarHBondContact O-N 3.09Å; E970-A973 CarbonylContact O-C 3.56Å; E970-A973 PolarHBondContact O-N 3.44Å; A973-I975 VanDerWaalsContact C-N 3.29Å
974	S	90.8	Very high	92	Very high	58 Å²	58	45.5 Å²	45.5	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-71.1	-27.2	169.6	80.7	0	0	0	0	112.2	E970 Y971 I972 R976	E970-S974 PolarHBondContact O-N 3.15Å; Y971-S974 WeakPolarHBondContact O-CB 3.34Å; Y971-S974 PolarHBondContact O-N 3.36Å; Y971-S974 PolarHBondContact O-OG 3.07Å; I972-S974 PolarHBondContact O-N 3.34Å; S974-R976 PolarHBondContact O-N 3.21Å
975	I	93.3	Very high	92.5	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.041	25%	0.251	C	S	.	.			trans	-78.7	114	176.8	-58.7	162.8	0	0	0	108.9	L901 C925 I926 L945 M948 Q949 A952 I972 A973	L901-I975 HydrophobicContact CD2-CD1 4.13Å; L901-I975 HydrophobicContact CD2-CG1 4.46Å; C925-I975 HydrophobicContact CB-CG2 3.84Å; I926-I975 HydrophobicContact CD1-CG1 4.31Å; L945-I975 HydrophobicContact CD1-CG2 3.8Å; M948-I975 HydrophobicContact CG-CD1 4.05Å; M948-I975 HydrophobicContact CG-CG2 4.28Å; M948-I975 HydrophobicContact SD-CD1 4.48Å; M948-I975 HydrophobicContact SD-CG1 4.44Å; M948-I975 HydrophobicContact SD-CG2 3.48Å; M948-I975 WeakPolarHBondContact SD-CG2 3.37Å; Q949-I975 HydrophobicContact CG-CD1 4.24Å; A952-I975 HydrophobicContact CB-CD1 3.66Å; I972-I975 WeakPolarHBondContact O-CB 3.3Å; I972-I975 PolarHBondContact O-N 2.9Å; A973-I975 VanDerWaalsContact C-N 3.29Å
976	R	93.4	Very high	93	Very high	59 Å²	59	39.5 Å²	39.5	22%	0.223	21%	0.213	C	C	.	.			trans	-123	101.7	-168	-70.6	-171.8	-168	168.3	21.7	113.7	C925 F928 Q929 E930 S974 H978	C925-R976 PolarHBondContact O-N 3.18Å; F928-R976 HydrophobicContact CD1-CB 3.83Å; Q929-R976 PolarHBondContact O-NH1 3.44Å; E930-R976 WeakPolarHBondContact O-CD 3.42Å; E930-R976 PolarHBondContact O-NH1 3.26Å; S974-R976 PolarHBondContact O-N 3.21Å; R976-H978 VanDerWaalsContact C-N 3.25Å; R976-H978 PolarHBondContact O-N 3.39Å; R976-H978 VanDerWaalsContact O-N 3.16Å
977	P	94.5	Very high	93.5	Very high	23 Å²	23	37.3 Å²	37.3	15%	0.149	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-76.8	-1.6	-171.2	33.6	-39.5	0	0	0	115.6	L937 L945 M979 M980	L937-P977 HydrophobicContact CD1-CB 3.81Å; L937-P977 HydrophobicContact CD1-CG 4.24Å; L937-P977 HydrophobicContact CD2-CB 4.38Å; L945-P977 HydrophobicContact CD1-CB 4.13Å; L945-P977 HydrophobicContact CD1-CG 4.34Å; L945-P977 HydrophobicContact CD2-CB 3.84Å; L945-P977 HydrophobicContact CD2-CG 3.74Å; P977-M979 PolarHBondContact O-N 2.63Å; P977-M980 HydrophobicContact CB-CG 4.19Å; P977-M980 HydrophobicContact CB-SD 3.66Å; P977-M980 VanDerWaalsContact O-CG 3.31Å; P977-M980 WeakPolarHBondContact O-CG 3.36Å; P977-M980 PolarHBondContact O-N 3.49Å
978	H	94.7	Very high	93.8	Very high	23 Å²	23	39.1 Å²	39.1	11%	0.106	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-56.8	-22.8	-171.6	-45.8	97.9	0	0	0	114.6	F928 A932 E933 V935 R976	F928-H978 HydrophobicContact CD1-CB 4.3Å; F928-H978 HydrophobicContact CE1-CB 3.87Å; F928-H978 AromaticContact CE1-ND1 3.71Å; A932-H978 HydrophobicContact CB-CB 3.89Å; E933-H978 PolarHBondContact O-CD2 2.89Å; V935-H978 HydrophobicContact CG2-CB 4.32Å; R976-H978 VanDerWaalsContact C-N 3.25Å; R976-H978 PolarHBondContact O-N 3.39Å; R976-H978 VanDerWaalsContact O-N 3.16Å
979	M	95.3	Very high	94.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-96.5	-9.3	-179.8	-67.5	-59.9	-60.6	0	0	114.2	F928 P977 V982 V983 V1001 I1006 T1009	F928-M979 HydrophobicContact CB-CB 4.5Å; F928-M979 HydrophobicContact CB-CG 4.01Å; F928-M979 HydrophobicContact CD1-CG 3.95Å; F928-M979 HydrophobicContact CD2-CG 3.41Å; F928-M979 VanDerWaalsContact CD2-CG 3.41Å; F928-M979 HydrophobicContact CD2-SD 4.26Å; F928-M979 HydrophobicContact CE1-CG 4.31Å; F928-M979 HydrophobicContact CE2-CG 3.8Å; F928-M979 HydrophobicContact CE2-SD 4.12Å; F928-M979 HydrophobicContact CG-CB 4.41Å; F928-M979 HydrophobicContact CG-CG 3.49Å; F928-M979 VanDerWaalsContact CG-CG 3.49Å; F928-M979 HydrophobicContact CZ-CG 4.24Å; P977-M979 PolarHBondContact O-N 2.63Å; M979-V982 HydrophobicContact CE-CB 3.97Å; M979-V982 HydrophobicContact CE-CG1 3.79Å; M979-V982 HydrophobicContact CE-CG2 4.42Å; M979-V982 PolarHBondContact O-N 2.84Å; M979-V982 HydrophobicContact SD-CG2 4.49Å; M979-V983 HydrophobicContact CB-CG2 4.29Å; M979-V983 WeakPolarHBondContact O-CB 3.36Å; M979-V983 WeakPolarHBondContact O-CG2 3.44Å; M979-V983 PolarHBondContact O-N 3.28Å; M979-V1001 HydrophobicContact SD-CG2 4.46Å; M979-I1006 HydrophobicContact CE-CB 4.29Å; M979-I1006 HydrophobicContact CE-CG1 4.1Å; M979-I1006 HydrophobicContact CE-CG2 3.97Å; M979-T1009 HydrophobicContact CG-CG2 4.27Å
980	M	95.7	Very high	94.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-55.3	-48.7	-175.1	-57.7	176.1	74.7	0	0	112.8	A921 V922 S924 C925 L937 F941 P977 V982 V983 H984	A921-M980 HydrophobicContact CB-CB 4.38Å; A921-M980 WeakPolarHBondContact CB-O 3.41Å; A921-M980 WeakPolarHBondContact O-CG 3.36Å; V922-M980 HydrophobicContact CG2-CE 3.86Å; S924-M980 PolarHBondContact OG-N 2.91Å; C925-M980 WeakPolarHBondContact SG-CG 3.49Å; C925-M980 PolarHBondContact SG-SD 3.33Å; L937-M980 HydrophobicContact CD1-SD 4.33Å; L937-M980 HydrophobicContact CD2-CB 4.37Å; L937-M980 HydrophobicContact CD2-SD 4.19Å; F941-M980 HydrophobicContact CB-CE 3.48Å; F941-M980 VanDerWaalsContact CB-CE 3.48Å; F941-M980 HydrophobicContact CB-SD 4.15Å; F941-M980 HydrophobicContact CD1-CE 3.94Å; F941-M980 HydrophobicContact CD2-CB 4.06Å; F941-M980 HydrophobicContact CD2-CE 4.29Å; F941-M980 HydrophobicContact CE2-CB 4.32Å; F941-M980 HydrophobicContact CG-CE 3.63Å; P977-M980 HydrophobicContact CB-CG 4.19Å; P977-M980 HydrophobicContact CB-SD 3.66Å; P977-M980 VanDerWaalsContact O-CG 3.31Å; P977-M980 WeakPolarHBondContact O-CG 3.36Å; P977-M980 PolarHBondContact O-N 3.49Å; M980-V982 PolarHBondContact O-N 2.72Å; M980-V983 PolarHBondContact O-N 2.91Å; M980-H984 WeakPolarHBondContact O-CB 3.48Å; M980-H984 PolarHBondContact O-N 3.45Å
981	P	95.4	Very high	94.5	Very high	22 Å²	22	35 Å²	35	14%	0.143	20%	0.198	C	C	.	.	H	α-helix	trans	-70	-33.8	-178	-19.9	36.3	0	0	0	112.6	V935 L937 F941 A985 M998	V935-P981 HydrophobicContact CG1-CG 3.91Å; L937-P981 HydrophobicContact CD2-CG 4.07Å; F941-P981 HydrophobicContact CE2-CG 4.48Å; P981-A985 VanDerWaalsContact O-CB 3.23Å; P981-A985 WeakPolarHBondContact O-CB 3.44Å; P981-A985 PolarHBondContact O-N 2.93Å; P981-M998 HydrophobicContact CB-CE 3.91Å; P981-M998 WeakPolarHBondContact O-CE 3.28Å
982	V	95.9	Very high	94.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-46.2	177.9	-175.7	0	0	0	0	110.3	M979 M980 W986 V995 M998 T999 I1006 M1010	M979-V982 HydrophobicContact CE-CB 3.97Å; M979-V982 HydrophobicContact CE-CG1 3.79Å; M979-V982 HydrophobicContact CE-CG2 4.42Å; M979-V982 PolarHBondContact O-N 2.84Å; M979-V982 HydrophobicContact SD-CG2 4.49Å; M980-V982 PolarHBondContact O-N 2.72Å; V982-W986 WeakPolarHBondContact O-CB 3.21Å; V982-W986 PolarHBondContact O-N 3.16Å; V982-V995 HydrophobicContact CG1-CB 3.95Å; V982-V995 HydrophobicContact CG1-CG2 4.39Å; V982-M998 HydrophobicContact CG2-CB 4.24Å; V982-T999 HydrophobicContact CG2-CG2 4Å; V982-I1006 HydrophobicContact CG1-CG2 4.31Å; V982-M1010 HydrophobicContact CG1-CE 4.09Å
983	V	96.8	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69	-43.1	178.9	172.5	0	0	0	0	111.5	A920 M979 M980 W986 C987 M1010 L1013	A920-V983 HydrophobicContact CB-CG1 3.82Å; M979-V983 HydrophobicContact CB-CG2 4.29Å; M979-V983 WeakPolarHBondContact O-CB 3.36Å; M979-V983 WeakPolarHBondContact O-CG2 3.44Å; M979-V983 PolarHBondContact O-N 3.28Å; M980-V983 PolarHBondContact O-N 2.91Å; V983-W986 WeakPolarHBondContact O-CB 3.39Å; V983-W986 PolarHBondContact O-N 3Å; V983-C987 PolarHBondContact O-N 3.21Å; V983-C987 PolarHBondContact O-SG 3.44Å; V983-M1010 HydrophobicContact CB-CE 4.43Å; V983-M1010 HydrophobicContact CG2-CE 3.79Å; V983-M1010 HydrophobicContact CG2-SD 3.84Å; V983-L1013 HydrophobicContact CB-CD2 4.43Å; V983-L1013 HydrophobicContact CG1-CD2 3.48Å; V983-L1013 VanDerWaalsContact CG1-CD2 3.48Å; V983-L1013 HydrophobicContact CG2-CD2 4.04Å
984	H	96.7	Very high	95	Very high	47 Å²	47	33.7 Å²	33.7	22%	0.218	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-50	175.5	-172.5	-75.5	0	0	0	111.4	A921 F941 M980 W986 C987 E988	A921-H984 HydrophobicContact CB-CB 3.92Å; F941-H984 AromaticContact CE1-CD2 3.87Å; F941-H984 HydrophobicContact CE2-CB 4.38Å; F941-H984 HydrophobicContact CZ-CB 3.75Å; F941-H984 AromaticContact CZ-CD2 3.55Å; F941-H984 AromaticContact CZ-CG 3.72Å; M980-H984 WeakPolarHBondContact O-CB 3.48Å; M980-H984 PolarHBondContact O-N 3.45Å; H984-W986 PolarHBondContact O-N 3.35Å; H984-C987 PolarHBondContact O-N 3.1Å; H984-C987 VanDerWaalsContact O-N 3.09Å; H984-E988 VanDerWaalsContact CE1-CG 3.44Å; H984-E988 WeakPolarHBondContact CE1-CG 3.45Å; H984-E988 WeakPolarHBondContact O-CB 3.39Å; H984-E988 WeakPolarHBondContact O-CG 3.36Å; H984-E988 PolarHBondContact O-N 3.49Å
985	A	96.4	Very high	95.1	Very high	15 Å²	15	31 Å²	31	12%	0.124	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-33.2	177.2	0	0	0	0	0	112.4	P981 K990 V995 M998	P981-A985 VanDerWaalsContact O-CB 3.23Å; P981-A985 WeakPolarHBondContact O-CB 3.44Å; P981-A985 PolarHBondContact O-N 2.93Å; A985-K990 HydrophobicContact CB-CB 4.5Å; A985-K990 HydrophobicContact CB-CG 4.1Å; A985-K990 VanDerWaalsContact O-CB 3.23Å; A985-K990 WeakPolarHBondContact O-CB 3.25Å; A985-K990 VanDerWaalsContact O-CG 3.23Å; A985-K990 WeakPolarHBondContact O-CG 3.32Å; A985-K990 PolarHBondContact O-N 2.91Å; A985-K990 VanDerWaalsContact O-N 3.07Å; A985-V995 HydrophobicContact CB-CG1 3.87Å; A985-M998 HydrophobicContact CB-CE 4.06Å; A985-M998 HydrophobicContact CB-SD 3.84Å
986	W	97	Very high	95.1	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-71.5	-39.7	173.6	-175.9	-100.5	0	0	0	113.1	V982 V983 H984 E988 G989 F992 V995 M1010 M1043 R1045 V1048	V982-W986 WeakPolarHBondContact O-CB 3.21Å; V982-W986 PolarHBondContact O-N 3.16Å; V983-W986 WeakPolarHBondContact O-CB 3.39Å; V983-W986 PolarHBondContact O-N 3Å; H984-W986 PolarHBondContact O-N 3.35Å; W986-E988 VanDerWaalsContact C-N 3.31Å; W986-E988 PolarHBondContact O-N 2.88Å; W986-G989 PolarHBondContact O-N 2.88Å; W986-F992 HydrophobicContact CE3-CD2 4.49Å; W986-F992 HydrophobicContact CH2-CB 4.33Å; W986-F992 HydrophobicContact CH2-CD2 4.28Å; W986-F992 HydrophobicContact CZ3-CB 3.85Å; W986-F992 AromaticContact CZ3-CD2 3.97Å; W986-F992 HydrophobicContact CZ3-CD2 3.97Å; W986-F992 HydrophobicContact CZ3-CG 4.42Å; W986-V995 HydrophobicContact CB-CG1 4.31Å; W986-V995 HydrophobicContact CE3-CG1 4.38Å; W986-V995 HydrophobicContact CE3-CG2 3.85Å; W986-V995 HydrophobicContact CZ3-CG2 4.48Å; W986-M1010 HydrophobicContact CB-CE 3.84Å; W986-M1010 HydrophobicContact CG-CE 4.01Å; W986-M1010 HydrophobicContact CG-SD 4.29Å; W986-M1043 PolarHBondContact NE1-O 3.17Å; W986-R1045 VanDerWaalsContact CD2-NH2 3.34Å; W986-R1045 HydrophobicContact CH2-CG 4.29Å; W986-R1045 HydrophobicContact CZ2-CG 3.62Å; W986-R1045 WeakPolarHBondContact CZ2-O 3.46Å; W986-R1045 PolarHBondContact O-NE 3.33Å; W986-R1045 PolarHBondContact O-NH2 2.83Å; W986-V1048 HydrophobicContact CD2-CG2 4.43Å; W986-V1048 HydrophobicContact CH2-CG2 3.76Å; W986-V1048 HydrophobicContact CZ2-CB 3.99Å; W986-V1048 HydrophobicContact CZ2-CG2 3.34Å; W986-V1048 HydrophobicContact CZ3-CG2 4.46Å
987	C	96.1	Very high	95.1	Very high	12 Å²	12	33.1 Å²	33.1	8%	0.081	20%	0.199	C	C	.	.	H	α-helix	trans	-67.6	-35.3	175.1	-60.3	0	0	0	0	111.2	S917 A920 V983 H984 G989 A1042	S917-C987 VanDerWaalsContact OG-CB 3.22Å; S917-C987 WeakPolarHBondContact OG-CB 3.23Å; A920-C987 VanDerWaalsContact CB-SG 3.59Å; V983-C987 PolarHBondContact O-N 3.21Å; V983-C987 PolarHBondContact O-SG 3.44Å; H984-C987 PolarHBondContact O-N 3.1Å; H984-C987 VanDerWaalsContact O-N 3.09Å; C987-G989 PolarHBondContact O-N 2.81Å; C987-A1042 HydrophobicContact CB-CB 4.31Å
988	E	96	Very high	95	Very high	113 Å²	113	35.8 Å²	35.8	53%	0.528	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	14.2	171.8	-65.8	-58.8	113.9	0	0	114.9	S917 H984 W986 K990	S917-E988 VanDerWaalsContact CB-OE1 3.27Å; S917-E988 WeakPolarHBondContact CB-OE1 3.36Å; S917-E988 PolarHBondContact OG-OE1 3.11Å; H984-E988 VanDerWaalsContact CE1-CG 3.44Å; H984-E988 WeakPolarHBondContact CE1-CG 3.45Å; H984-E988 WeakPolarHBondContact O-CB 3.39Å; H984-E988 WeakPolarHBondContact O-CG 3.36Å; H984-E988 PolarHBondContact O-N 3.49Å; W986-E988 VanDerWaalsContact C-N 3.31Å; W986-E988 PolarHBondContact O-N 2.88Å; E988-K990 PolarHBondContact O-N 2.9Å
989	G	94.5	Very high	94.9	Very high	46 Å²	46	35.8 Å²	35.8	47%	0.474	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	7.2	169.1	0	0	0	0	0	117.1	W986 C987 R1045	W986-G989 PolarHBondContact O-N 2.88Å; C987-G989 PolarHBondContact O-N 2.81Å; G989-R1045 VanDerWaalsContact C-NH2 3.26Å
990	K	95.4	Very high	94.7	Very high	114 Å²	114	39.5 Å²	39.5	50%	0.496	24%	0.235	S	C	.	.			trans	-63	146.5	176.6	-61.7	-63.6	-177.8	-178.3	0	112.5	A985 E988 T994 V995 R1045	A985-K990 HydrophobicContact CB-CB 4.5Å; A985-K990 HydrophobicContact CB-CG 4.1Å; A985-K990 VanDerWaalsContact O-CB 3.23Å; A985-K990 WeakPolarHBondContact O-CB 3.25Å; A985-K990 VanDerWaalsContact O-CG 3.23Å; A985-K990 WeakPolarHBondContact O-CG 3.32Å; A985-K990 PolarHBondContact O-N 2.91Å; A985-K990 VanDerWaalsContact O-N 3.07Å; E988-K990 PolarHBondContact O-N 2.9Å; K990-T994 HydrophobicContact CB-CG2 4.34Å; K990-V995 HydrophobicContact CB-CG1 3.88Å; K990-R1045 PolarHBondContact O-NH1 3.44Å; K990-R1045 PolarHBondContact O-NH2 3.14Å
991	D	93.7	Very high	94.6	Very high	63 Å²	63	40 Å²	40	34%	0.337	24%	0.238	S	C	.	.			trans	-65.5	162.6	176.5	62.2	59.8	0	0	0	112.8	A993 T994 V995	D991-A993 VanDerWaalsContact C-N 3.3Å; D991-A993 PolarHBondContact O-N 2.82Å; D991-A993 WeakPolarHBondContact OD1-CB 3.48Å; D991-A993 PolarHBondContact OD1-N 3.08Å; D991-T994 VanDerWaalsContact CG-OG1 3.3Å; D991-T994 PolarHBondContact O-N 3.47Å; D991-T994 VanDerWaalsContact OD1-CB 3.28Å; D991-T994 WeakPolarHBondContact OD1-CB 3.36Å; D991-T994 PolarHBondContact OD1-N 3.21Å; D991-T994 PolarHBondContact OD1-OG1 2.77Å; D991-T994 PolarHBondContact OD2-OG1 2.94Å; D991-V995 PolarHBondContact O-N 3.29Å
992	F	95	Very high	94.4	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-32.1	-175	-169.5	-96.9	0	0	0	112.2	L432 L454 W986 V995 S996 E1003 I1006 I1007 I1047 V1048	L432-F992 HydrophobicContact CD1-CD1 3.69Å; L432-F992 HydrophobicContact CD1-CE1 4.4Å; L432-F992 HydrophobicContact CD1-CG 4.49Å; L432-F992 HydrophobicContact CD2-CD1 3.85Å; L432-F992 HydrophobicContact CG-CD1 4.46Å; L454-F992 HydrophobicContact CD2-CE1 3.92Å; L454-F992 HydrophobicContact CD2-CZ 4.21Å; W986-F992 HydrophobicContact CE3-CD2 4.49Å; W986-F992 HydrophobicContact CH2-CB 4.33Å; W986-F992 HydrophobicContact CH2-CD2 4.28Å; W986-F992 HydrophobicContact CZ3-CB 3.85Å; W986-F992 AromaticContact CZ3-CD2 3.97Å; W986-F992 HydrophobicContact CZ3-CD2 3.97Å; W986-F992 HydrophobicContact CZ3-CG 4.42Å; F992-V995 HydrophobicContact CD2-CG2 4.2Å; F992-V995 PolarHBondContact O-N 3.2Å; F992-S996 VanDerWaalsContact O-CB 3.26Å; F992-S996 WeakPolarHBondContact O-CB 3.24Å; F992-S996 PolarHBondContact O-N 2.59Å; F992-S996 PolarHBondContact O-OG 3.05Å; F992-E1003 HydrophobicContact CE1-CB 4Å; F992-E1003 HydrophobicContact CE1-CG 4.3Å; F992-E1003 HydrophobicContact CZ-CB 4.11Å; F992-I1006 HydrophobicContact CE2-CG2 4.13Å; F992-I1006 HydrophobicContact CZ-CG2 4.39Å; F992-I1007 HydrophobicContact CE2-CD1 4.19Å; F992-I1007 HydrophobicContact CE2-CG1 3.77Å; F992-I1007 HydrophobicContact CZ-CD1 3.93Å; F992-I1007 HydrophobicContact CZ-CG1 3.77Å; F992-I1047 HydrophobicContact CB-CG2 3.77Å; F992-I1047 HydrophobicContact CD1-CG2 3.79Å; F992-I1047 HydrophobicContact CD2-CG2 3.63Å; F992-I1047 HydrophobicContact CE1-CG2 4.31Å; F992-I1047 HydrophobicContact CE2-CG2 4.17Å; F992-I1047 HydrophobicContact CG-CG2 3.42Å; F992-I1047 VanDerWaalsContact CG-CG2 3.42Å; F992-I1047 HydrophobicContact CZ-CG2 4.48Å; F992-V1048 HydrophobicContact CD2-CG2 3.86Å; F992-V1048 HydrophobicContact CE2-CG2 3.9Å
993	A	93.4	Very high	94.4	Very high	45 Å²	45	42.5 Å²	42.5	37%	0.372	25%	0.247	S	C	.	.	H	α-helix	trans	-61.3	-47.6	177.5	0	0	0	0	0	110.7	L432 D991 S996 S997	L432-A993 HydrophobicContact CD2-CB 3.82Å; D991-A993 VanDerWaalsContact C-N 3.3Å; D991-A993 PolarHBondContact O-N 2.82Å; D991-A993 WeakPolarHBondContact OD1-CB 3.48Å; D991-A993 PolarHBondContact OD1-N 3.08Å; A993-S996 PolarHBondContact O-N 3.05Å; A993-S996 PolarHBondContact O-OG 2.93Å; A993-S997 PolarHBondContact O-N 2.91Å; A993-S997 VanDerWaalsContact O-N 3.08Å
994	T	94.3	Very high	94.2	Very high	54 Å²	54	42.5 Å²	42.5	33%	0.331	25%	0.247	S	C	.	.	H	α-helix	trans	-57.6	-55.4	177	-60.1	0	0	0	0	110.6	K990 D991 S996 S997 M998	K990-T994 HydrophobicContact CB-CG2 4.34Å; D991-T994 VanDerWaalsContact CG-OG1 3.3Å; D991-T994 PolarHBondContact O-N 3.47Å; D991-T994 VanDerWaalsContact OD1-CB 3.28Å; D991-T994 WeakPolarHBondContact OD1-CB 3.36Å; D991-T994 PolarHBondContact OD1-N 3.21Å; D991-T994 PolarHBondContact OD1-OG1 2.77Å; D991-T994 PolarHBondContact OD2-OG1 2.94Å; T994-S996 VanDerWaalsContact C-N 3.33Å; T994-S996 PolarHBondContact O-N 3.25Å; T994-S997 PolarHBondContact O-N 3.17Å; T994-S997 VanDerWaalsContact O-N 3.12Å; T994-S997 PolarHBondContact O-OG 3.35Å; T994-M998 PolarHBondContact O-N 2.85Å
995	V	94.5	Very high	94	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.9	-31.2	-175.8	-53.9	0	0	0	0	112.6	V982 A985 W986 K990 D991 F992 S997 M998	V982-V995 HydrophobicContact CG1-CB 3.95Å; V982-V995 HydrophobicContact CG1-CG2 4.39Å; A985-V995 HydrophobicContact CB-CG1 3.87Å; W986-V995 HydrophobicContact CB-CG1 4.31Å; W986-V995 HydrophobicContact CE3-CG1 4.38Å; W986-V995 HydrophobicContact CE3-CG2 3.85Å; W986-V995 HydrophobicContact CZ3-CG2 4.48Å; K990-V995 HydrophobicContact CB-CG1 3.88Å; D991-V995 PolarHBondContact O-N 3.29Å; F992-V995 HydrophobicContact CD2-CG2 4.2Å; F992-V995 PolarHBondContact O-N 3.2Å; V995-S997 VanDerWaalsContact C-N 3.31Å; V995-S997 PolarHBondContact O-N 2.76Å; V995-M998 HydrophobicContact CG1-SD 4.48Å; V995-M998 WeakPolarHBondContact O-CB 3.43Å; V995-M998 PolarHBondContact O-N 3.01Å
996	S	93.1	Very high	93.9	Very high	16 Å²	16	39.6 Å²	39.6	11%	0.112	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-35	172.5	73.4	0	0	0	0	112.4	F992 A993 T994 M998	F992-S996 VanDerWaalsContact O-CB 3.26Å; F992-S996 WeakPolarHBondContact O-CB 3.24Å; F992-S996 PolarHBondContact O-N 2.59Å; F992-S996 PolarHBondContact O-OG 3.05Å; A993-S996 PolarHBondContact O-N 3.05Å; A993-S996 PolarHBondContact O-OG 2.93Å; T994-S996 VanDerWaalsContact C-N 3.33Å; T994-S996 PolarHBondContact O-N 3.25Å; S996-M998 PolarHBondContact O-N 3.28Å
997	S	92.5	Very high	93.8	Very high	97 Å²	97	39.5 Å²	39.5	68%	0.678	23%	0.231	S	C	*	.	H	α-helix	trans	-72.1	-13.8	178.1	76.1	0	0	0	0	114.5	A993 T994 V995 T999	A993-S997 PolarHBondContact O-N 2.91Å; A993-S997 VanDerWaalsContact O-N 3.08Å; T994-S997 PolarHBondContact O-N 3.17Å; T994-S997 VanDerWaalsContact O-N 3.12Å; T994-S997 PolarHBondContact O-OG 3.35Å; V995-S997 VanDerWaalsContact C-N 3.31Å; V995-S997 PolarHBondContact O-N 2.76Å; S997-T999 VanDerWaalsContact C-N 3.29Å; S997-T999 PolarHBondContact O-N 3.17Å
998	M	92.7	Very high	93.5	Very high	78 Å²	78	42.8 Å²	42.8	38%	0.384	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.8	-179.4	-65.7	172.2	63.3	0	0	113.9	P981 V982 A985 T994 V995 S996	P981-M998 HydrophobicContact CB-CE 3.91Å; P981-M998 WeakPolarHBondContact O-CE 3.28Å; V982-M998 HydrophobicContact CG2-CB 4.24Å; A985-M998 HydrophobicContact CB-CE 4.06Å; A985-M998 HydrophobicContact CB-SD 3.84Å; T994-M998 PolarHBondContact O-N 2.85Å; V995-M998 HydrophobicContact CG1-SD 4.48Å; V995-M998 WeakPolarHBondContact O-CB 3.43Å; V995-M998 PolarHBondContact O-N 3.01Å; S996-M998 PolarHBondContact O-N 3.28Å
999	T	92.7	Very high	93.4	Very high	23 Å²	23	37.8 Å²	37.8	14%	0.141	22%	0.219	C	C	.	.			trans	-148.3	157.2	-174	-173.7	0	0	0	0	112.1	V982 S997 V1001 I1006	V982-T999 HydrophobicContact CG2-CG2 4Å; S997-T999 VanDerWaalsContact C-N 3.29Å; S997-T999 PolarHBondContact O-N 3.17Å; T999-V1001 VanDerWaalsContact C-N 3.32Å; T999-V1001 HydrophobicContact CG2-CB 4.05Å; T999-V1001 WeakPolarHBondContact OG1-CG2 3.14Å; T999-V1001 PolarHBondContact OG1-N 3.31Å; T999-I1006 HydrophobicContact CG2-CD1 3.59Å; T999-I1006 HydrophobicContact CG2-CG1 4.22Å
1000	T	91	Very high	93.5	Very high	78 Å²	78	35.6 Å²	35.6	48%	0.479	20%	0.196	S	C	.	.	S	Bend	trans	-91.9	8	173.6	52.5	0	0	0	0	113.3	E933	E933-T1000 WeakPolarHBondContact OE2-CG2 3.48Å; E933-T1000 PolarHBondContact OE2-OG1 2.8Å
1001	V	93	Very high	93.3	Very high	13 Å²	13	32.6 Å²	32.6	8%	0.079	18%	0.182	C	C	.	.	S	Bend	trans	-76.4	132.7	173.3	177.9	0	0	0	0	110.5	F928 A932 M979 T999 I1006	F928-V1001 HydrophobicContact CE2-CG1 4.13Å; F928-V1001 HydrophobicContact CE2-CG2 4.19Å; F928-V1001 HydrophobicContact CZ-CG1 4.48Å; F928-V1001 HydrophobicContact CZ-CG2 3.77Å; A932-V1001 HydrophobicContact CB-CG2 3.71Å; M979-V1001 HydrophobicContact SD-CG2 4.46Å; T999-V1001 VanDerWaalsContact C-N 3.32Å; T999-V1001 HydrophobicContact CG2-CB 4.05Å; T999-V1001 WeakPolarHBondContact OG1-CG2 3.14Å; T999-V1001 PolarHBondContact OG1-N 3.31Å; V1001-I1006 HydrophobicContact CB-CG1 4.31Å; V1001-I1006 HydrophobicContact CG1-CG1 4.06Å
1002	F	92.9	Very high	93.2	Very high	34 Å²	34	33.9 Å²	33.9	15%	0.149	18%	0.182	C	C	.	.			trans	-55.2	144.3	175.8	-75	-79.8	0	0	0	113	R389 R390 E393 G1004 S1005 I1006	R389-F1002 HydrophobicContact CB-CE2 4Å; R389-F1002 HydrophobicContact CB-CZ 4.01Å; R390-F1002 HydrophobicContact CG-CE2 4.39Å; R390-F1002 HydrophobicContact CG-CZ 3.91Å; E393-F1002 WeakPolarHBondContact OE1-CE1 3.23Å; F1002-G1004 PolarHBondContact O-N 2.92Å; F1002-S1005 CarbonylContact O-C 3.51Å; F1002-S1005 WeakPolarHBondContact O-CA 3.25Å; F1002-S1005 VanDerWaalsContact O-CB 3.28Å; F1002-S1005 WeakPolarHBondContact O-CB 3.35Å; F1002-S1005 PolarHBondContact O-N 3Å; F1002-I1006 PolarHBondContact O-N 2.82Å
1003	E	93.9	Very high	93.2	Very high	41 Å²	41	33.8 Å²	33.8	19%	0.192	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-37.5	-170	-55.4	80	179.7	0	0	112.6	Q434 L454 F992 S1005 I1006 I1007	Q434-E1003 HydrophobicContact CG-CG 4.02Å; Q434-E1003 WeakPolarHBondContact CG-OE1 3.39Å; Q434-E1003 PolarHBondContact NE2-OE1 3.4Å; L454-E1003 HydrophobicContact CD2-CB 3.63Å; L454-E1003 HydrophobicContact CG-CB 4.32Å; F992-E1003 HydrophobicContact CE1-CB 4Å; F992-E1003 HydrophobicContact CE1-CG 4.3Å; F992-E1003 HydrophobicContact CZ-CB 4.11Å; E1003-S1005 VanDerWaalsContact C-N 3.25Å; E1003-S1005 PolarHBondContact O-N 2.88Å; E1003-I1006 WeakPolarHBondContact O-CB 3.43Å; E1003-I1006 PolarHBondContact O-N 3.49Å; E1003-I1007 WeakPolarHBondContact O-CG1 3.46Å; E1003-I1007 PolarHBondContact O-N 2.97Å
1004	G	92.7	Very high	93.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-27.3	171.3	0	0	0	0	0	113.6	G452 L453 F1002 R1008	G452-G1004 VanDerWaalsContact O-CA 3.3Å; G452-G1004 WeakPolarHBondContact O-CA 3.42Å; G452-G1004 PolarHBondContact O-N 2.92Å; L453-G1004 VanDerWaalsContact O-CA 3.25Å; L453-G1004 WeakPolarHBondContact O-CA 3.2Å; F1002-G1004 PolarHBondContact O-N 2.92Å; G1004-R1008 WeakPolarHBondContact O-CB 3.44Å; G1004-R1008 PolarHBondContact O-N 2.96Å
1005	S	92.7	Very high	93.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-79.9	-33.9	172.9	-70.4	0	0	0	0	112.1	R389 E930 F1002 E1003 R1008 T1009	R389-S1005 PolarHBondContact NH1-OG 2.87Å; E930-S1005 WeakPolarHBondContact OE1-CB 3.47Å; E930-S1005 PolarHBondContact OE1-OG 2.98Å; F1002-S1005 CarbonylContact O-C 3.51Å; F1002-S1005 WeakPolarHBondContact O-CA 3.25Å; F1002-S1005 VanDerWaalsContact O-CB 3.28Å; F1002-S1005 WeakPolarHBondContact O-CB 3.35Å; F1002-S1005 PolarHBondContact O-N 3Å; E1003-S1005 VanDerWaalsContact C-N 3.25Å; E1003-S1005 PolarHBondContact O-N 2.88Å; S1005-R1008 PolarHBondContact OG-NH1 2.95Å; S1005-T1009 WeakPolarHBondContact O-CB 3.41Å; S1005-T1009 PolarHBondContact O-N 2.84Å; S1005-T1009 PolarHBondContact O-OG1 3.12Å
1006	I	95.4	Very high	93.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-53.9	166.6	-61.8	175.3	0	0	0	109.2	M979 V982 F992 T999 V1001 F1002 E1003 R1008 T1009 M1010	M979-I1006 HydrophobicContact CE-CB 4.29Å; M979-I1006 HydrophobicContact CE-CG1 4.1Å; M979-I1006 HydrophobicContact CE-CG2 3.97Å; V982-I1006 HydrophobicContact CG1-CG2 4.31Å; F992-I1006 HydrophobicContact CE2-CG2 4.13Å; F992-I1006 HydrophobicContact CZ-CG2 4.39Å; T999-I1006 HydrophobicContact CG2-CD1 3.59Å; T999-I1006 HydrophobicContact CG2-CG1 4.22Å; V1001-I1006 HydrophobicContact CB-CG1 4.31Å; V1001-I1006 HydrophobicContact CG1-CG1 4.06Å; F1002-I1006 PolarHBondContact O-N 2.82Å; E1003-I1006 WeakPolarHBondContact O-CB 3.43Å; E1003-I1006 PolarHBondContact O-N 3.49Å; I1006-R1008 PolarHBondContact O-N 2.81Å; I1006-T1009 WeakPolarHBondContact O-CB 3.33Å; I1006-T1009 PolarHBondContact O-N 2.69Å; I1006-T1009 VanDerWaalsContact O-N 3.09Å; I1006-M1010 HydrophobicContact CG2-CE 4.09Å; I1006-M1010 HydrophobicContact CG2-CG 4.32Å; I1006-M1010 VanDerWaalsContact O-CG 3.28Å; I1006-M1010 WeakPolarHBondContact O-CG 3.4Å; I1006-M1010 PolarHBondContact O-N 3.04Å
1007	I	94.3	Very high	93.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-43	-179.6	-67.1	177.2	0	0	0	111.9	L454 P455 F992 E1003 T1009 M1010 R1011 I1047 V1048	L454-I1007 HydrophobicContact CD2-CD1 3.47Å; L454-I1007 VanDerWaalsContact CD2-CD1 3.47Å; P455-I1007 HydrophobicContact CG-CB 4.45Å; P455-I1007 HydrophobicContact CG-CG2 3.77Å; F992-I1007 HydrophobicContact CE2-CD1 4.19Å; F992-I1007 HydrophobicContact CE2-CG1 3.77Å; F992-I1007 HydrophobicContact CZ-CD1 3.93Å; F992-I1007 HydrophobicContact CZ-CG1 3.77Å; E1003-I1007 WeakPolarHBondContact O-CG1 3.46Å; E1003-I1007 PolarHBondContact O-N 2.97Å; I1007-T1009 VanDerWaalsContact C-N 3.28Å; I1007-T1009 PolarHBondContact O-N 3.45Å; I1007-M1010 PolarHBondContact O-N 3.11Å; I1007-R1011 HydrophobicContact CG2-CG 4.42Å; I1007-R1011 WeakPolarHBondContact O-CG 3.16Å; I1007-R1011 PolarHBondContact O-N 3.11Å; I1007-I1047 HydrophobicContact CD1-CG1 4.35Å; I1007-I1047 HydrophobicContact CD1-CG2 4.32Å; I1007-V1048 HydrophobicContact CG1-CG2 4.24Å; I1007-V1048 HydrophobicContact CG2-CG1 4.21Å; I1007-V1048 WeakPolarHBondContact CG2-O 3.46Å
1008	R	90.4	Very high	93.4	Very high	80 Å²	80	29.9 Å²	29.9	30%	0.302	15%	0.145	S	C	.	.	H	α-helix	trans	-58.4	-41.7	174.5	-177	-175.3	-57.8	100	26.3	112	S451 E930 G1004 S1005 I1006 R1011 R1012	S451-R1008 PolarHBondContact O-NH1 2.86Å; S451-R1008 PolarHBondContact O-NH2 3.48Å; E930-R1008 IonicContact OE1-NH1 2.73Å; G1004-R1008 WeakPolarHBondContact O-CB 3.44Å; G1004-R1008 PolarHBondContact O-N 2.96Å; S1005-R1008 PolarHBondContact OG-NH1 2.95Å; I1006-R1008 PolarHBondContact O-N 2.81Å; R1008-R1011 PolarHBondContact O-N 3.49Å; R1008-R1012 WeakPolarHBondContact O-CG 3.47Å; R1008-R1012 PolarHBondContact O-N 2.76Å
1009	T	94	Very high	93.5	Very high	8 Å²	8	27.3 Å²	27.3	5%	0.049	13%	0.131	C	C	.	.	H	α-helix	trans	-66.4	-44.2	179.4	-53.2	0	0	0	0	110.7	V927 F928 M979 S1005 I1006 I1007 R1012 L1013	V927-T1009 HydrophobicContact CG2-CG2 4Å; F928-T1009 HydrophobicContact CB-CG2 3.9Å; F928-T1009 HydrophobicContact CD2-CG2 3.94Å; F928-T1009 HydrophobicContact CG-CG2 4.39Å; M979-T1009 HydrophobicContact CG-CG2 4.27Å; S1005-T1009 WeakPolarHBondContact O-CB 3.41Å; S1005-T1009 PolarHBondContact O-N 2.84Å; S1005-T1009 PolarHBondContact O-OG1 3.12Å; I1006-T1009 WeakPolarHBondContact O-CB 3.33Å; I1006-T1009 PolarHBondContact O-N 2.69Å; I1006-T1009 VanDerWaalsContact O-N 3.09Å; I1007-T1009 VanDerWaalsContact C-N 3.28Å; I1007-T1009 PolarHBondContact O-N 3.45Å; T1009-R1012 PolarHBondContact O-N 2.76Å; T1009-L1013 VanDerWaalsContact O-CB 3.27Å; T1009-L1013 WeakPolarHBondContact O-CB 3.43Å; T1009-L1013 PolarHBondContact O-N 3.27Å
1010	M	95.1	Very high	93.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.1	-40.5	176.3	-62.7	-82	-173.3	0	0	112.4	V982 V983 W986 I1006 I1007 L1013 E1014 M1043 V1048	V982-M1010 HydrophobicContact CG1-CE 4.09Å; V983-M1010 HydrophobicContact CB-CE 4.43Å; V983-M1010 HydrophobicContact CG2-CE 3.79Å; V983-M1010 HydrophobicContact CG2-SD 3.84Å; W986-M1010 HydrophobicContact CB-CE 3.84Å; W986-M1010 HydrophobicContact CG-CE 4.01Å; W986-M1010 HydrophobicContact CG-SD 4.29Å; I1006-M1010 HydrophobicContact CG2-CE 4.09Å; I1006-M1010 HydrophobicContact CG2-CG 4.32Å; I1006-M1010 VanDerWaalsContact O-CG 3.28Å; I1006-M1010 WeakPolarHBondContact O-CG 3.4Å; I1006-M1010 PolarHBondContact O-N 3.04Å; I1007-M1010 PolarHBondContact O-N 3.11Å; M1010-L1013 WeakPolarHBondContact O-CB 3.45Å; M1010-L1013 PolarHBondContact O-N 2.68Å; M1010-E1014 WeakPolarHBondContact O-CB 3.33Å; M1010-E1014 PolarHBondContact O-N 2.85Å; M1010-M1043 HydrophobicContact CB-SD 4.24Å; M1010-M1043 HydrophobicContact SD-CG 4.41Å; M1010-M1043 HydrophobicContact SD-SD 3.99Å; M1010-V1048 HydrophobicContact CB-CG1 3.4Å; M1010-V1048 VanDerWaalsContact CB-CG1 3.4Å; M1010-V1048 HydrophobicContact CG-CG1 4.05Å
1011	R	91.9	Very high	93.9	Very high	52 Å²	52	23.3 Å²	23.3	20%	0.196	11%	0.108	C	C	.	.	H	α-helix	trans	-66.1	-43	175.4	-72.3	-170.9	-177.4	-150.8	1.1	112.6	D205 I1007 R1008 L1013 E1014 E1015 V1048 F1049 A1050	D205-R1011 IonicContact OD2-CZ 3.67Å; D205-R1011 IonicContact OD2-NH1 2.8Å; D205-R1011 PolarHBondContact OD2-NH1 3.01Å; I1007-R1011 HydrophobicContact CG2-CG 4.42Å; I1007-R1011 WeakPolarHBondContact O-CG 3.16Å; I1007-R1011 PolarHBondContact O-N 3.11Å; R1008-R1011 PolarHBondContact O-N 3.49Å; R1011-L1013 VanDerWaalsContact C-N 3.32Å; R1011-L1013 PolarHBondContact O-N 3.36Å; R1011-E1014 WeakPolarHBondContact O-CB 3.43Å; R1011-E1014 PolarHBondContact O-N 3.36Å; R1011-E1014 VanDerWaalsContact O-N 3.15Å; R1011-E1015 PolarHBondContact O-N 2.83Å; R1011-V1048 PolarHBondContact NE-O 2.78Å; R1011-V1048 PolarHBondContact NH2-O 3.06Å; R1011-V1048 VanDerWaalsContact NH2-O 3.08Å; R1011-F1049 HydrophobicContact CG-CE1 4.12Å; R1011-A1050 PolarHBondContact NH2-O 3.43Å
1012	R	92.1	Very high	93.9	Very high	89 Å²	89	26.8 Å²	26.8	34%	0.336	13%	0.125	S	C	.	.	H	α-helix	trans	-64.8	-35.5	173.1	-76.3	179.2	169.1	-174.6	-7.2	112.7	V927 R1008 T1009 E1014 L1016	V927-R1012 HydrophobicContact CB-CB 4.13Å; V927-R1012 HydrophobicContact CG1-CB 4.32Å; R1008-R1012 WeakPolarHBondContact O-CG 3.47Å; R1008-R1012 PolarHBondContact O-N 2.76Å; T1009-R1012 PolarHBondContact O-N 2.76Å; R1012-E1014 PolarHBondContact O-N 3.17Å; R1012-L1016 WeakPolarHBondContact O-CB 3.38Å; R1012-L1016 PolarHBondContact O-N 2.79Å
1013	L	95.7	Very high	94.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-32.9	173.3	-179.1	57.8	0	0	0	111.5	A920 L923 V927 V983 T1009 M1010 R1011 L1017 M1043	A920-L1013 HydrophobicContact CB-CD2 4.34Å; A920-L1013 WeakPolarHBondContact O-CD2 3.39Å; L923-L1013 HydrophobicContact CB-CD1 3.53Å; V927-L1013 HydrophobicContact CG2-CB 3.98Å; V927-L1013 HydrophobicContact CG2-CD1 4.28Å; V983-L1013 HydrophobicContact CB-CD2 4.43Å; V983-L1013 HydrophobicContact CG1-CD2 3.48Å; V983-L1013 VanDerWaalsContact CG1-CD2 3.48Å; V983-L1013 HydrophobicContact CG2-CD2 4.04Å; T1009-L1013 VanDerWaalsContact O-CB 3.27Å; T1009-L1013 WeakPolarHBondContact O-CB 3.43Å; T1009-L1013 PolarHBondContact O-N 3.27Å; M1010-L1013 WeakPolarHBondContact O-CB 3.45Å; M1010-L1013 PolarHBondContact O-N 2.68Å; R1011-L1013 VanDerWaalsContact C-N 3.32Å; R1011-L1013 PolarHBondContact O-N 3.36Å; L1013-L1017 HydrophobicContact CG-CD1 4.2Å; L1013-L1017 WeakPolarHBondContact O-CB 3.48Å; L1013-L1017 WeakPolarHBondContact O-CG 3.46Å; L1013-L1017 PolarHBondContact O-N 3.21Å; L1013-M1043 HydrophobicContact CB-CE 4.26Å; L1013-M1043 HydrophobicContact CB-SD 4.24Å; L1013-M1043 HydrophobicContact CD2-CE 4.4Å; L1013-M1043 HydrophobicContact CD2-SD 3.79Å; L1013-M1043 HydrophobicContact CG-CE 4.04Å; L1013-M1043 HydrophobicContact CG-SD 4.05Å
1014	E	94.5	Very high	94.2	Very high	20 Å²	20	23.2 Å²	23.2	9%	0.093	11%	0.109	C	C	.	.	H	α-helix	trans	-72.4	-46.1	176.9	-157.8	-80.6	123.1	0	0	111.9	M1010 R1011 R1012 L1016 L1017 C1018 S1040 M1043 K1044 F1049	M1010-E1014 WeakPolarHBondContact O-CB 3.33Å; M1010-E1014 PolarHBondContact O-N 2.85Å; R1011-E1014 WeakPolarHBondContact O-CB 3.43Å; R1011-E1014 PolarHBondContact O-N 3.36Å; R1011-E1014 VanDerWaalsContact O-N 3.15Å; R1012-E1014 PolarHBondContact O-N 3.17Å; E1014-L1016 VanDerWaalsContact C-N 3.26Å; E1014-L1016 PolarHBondContact O-N 3.08Å; E1014-L1017 PolarHBondContact O-N 2.97Å; E1014-C1018 PolarHBondContact O-N 3.44Å; E1014-C1018 PolarHBondContact OE1-SG 3.02Å; E1014-S1040 PolarHBondContact OE1-OG 3.36Å; E1014-M1043 VanDerWaalsContact CA-CE 3.48Å; E1014-M1043 HydrophobicContact CB-CE 3.51Å; E1014-M1043 HydrophobicContact CG-CE 3.81Å; E1014-K1044 HydrophobicContact CG-CD 4.47Å; E1014-K1044 VanDerWaalsContact CG-CE 3.41Å; E1014-K1044 HydrophobicContact CG-CG 4.18Å; E1014-K1044 WeakPolarHBondContact OE1-CE 3.43Å; E1014-K1044 IonicContact OE1-NZ 3.86Å; E1014-K1044 PolarHBondContact OE1-NZ 2.8Å; E1014-K1044 WeakPolarHBondContact OE2-CE 3.49Å; E1014-K1044 IonicContact OE2-NZ 3.5Å; E1014-K1044 PolarHBondContact OE2-NZ 2.97Å; E1014-F1049 HydrophobicContact CB-CE1 3.75Å; E1014-F1049 HydrophobicContact CB-CZ 3.73Å; E1014-F1049 HydrophobicContact CG-CE1 3.65Å; E1014-F1049 HydrophobicContact CG-CZ 3.78Å
1015	E	91.4	Very high	94.3	Very high	60 Å²	60	29.1 Å²	29.1	28%	0.28	13%	0.134	S	C	.	.	H	α-helix	trans	-52.3	-48.1	170.2	-163.6	159.6	-147	0	0	109.5	K182 A896 R1011 C1018 E1019	K182-E1015 IonicContact NZ-OE1 3.21Å; K182-E1015 PolarHBondContact NZ-OE1 3.37Å; K182-E1015 IonicContact NZ-OE2 2.79Å; K182-E1015 PolarHBondContact NZ-OE2 3.2Å; A896-E1015 HydrophobicContact CB-CG 4.44Å; R1011-E1015 PolarHBondContact O-N 2.83Å; E1015-C1018 PolarHBondContact O-N 3.4Å; E1015-E1019 WeakPolarHBondContact O-CG 3.32Å; E1015-E1019 PolarHBondContact O-N 3.36Å
1016	L	95.3	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-37.8	174.1	-176.2	60.7	0	0	0	113.9	I894 A896 L902 L923 V927 R1012 E1014 E1019 M1020	I894-L1016 HydrophobicContact CG2-CD1 4.1Å; A896-L1016 HydrophobicContact CB-CB 4.14Å; A896-L1016 HydrophobicContact CB-CD1 4.35Å; L902-L1016 HydrophobicContact CD1-CD1 3.75Å; L902-L1016 HydrophobicContact CD1-CD2 4.07Å; L902-L1016 HydrophobicContact CD1-CG 4.43Å; L923-L1016 HydrophobicContact CB-CD2 4.38Å; L923-L1016 HydrophobicContact CD2-CD2 4.37Å; V927-L1016 HydrophobicContact CG1-CB 4.13Å; V927-L1016 HydrophobicContact CG1-CD2 3.65Å; R1012-L1016 WeakPolarHBondContact O-CB 3.38Å; R1012-L1016 PolarHBondContact O-N 2.79Å; E1014-L1016 VanDerWaalsContact C-N 3.26Å; E1014-L1016 PolarHBondContact O-N 3.08Å; L1016-E1019 WeakPolarHBondContact O-CB 3.46Å; L1016-E1019 PolarHBondContact O-N 2.94Å; L1016-M1020 HydrophobicContact CD1-CG 4.31Å; L1016-M1020 HydrophobicContact CG-CG 4.32Å; L1016-M1020 WeakPolarHBondContact O-CB 3.36Å; L1016-M1020 WeakPolarHBondContact O-CG 3.33Å; L1016-M1020 PolarHBondContact O-N 2.89Å
1017	L	96	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.6	-36.2	177.2	-84.5	164.2	0	0	0	111.8	A920 L923 L1013 E1014 M1020 C1021 F1036 A1039 M1043	A920-L1017 HydrophobicContact CB-CD1 4.17Å; L923-L1017 HydrophobicContact CD1-CD2 3.58Å; L923-L1017 HydrophobicContact CD1-CG 4.2Å; L1013-L1017 HydrophobicContact CG-CD1 4.2Å; L1013-L1017 WeakPolarHBondContact O-CB 3.48Å; L1013-L1017 WeakPolarHBondContact O-CG 3.46Å; L1013-L1017 PolarHBondContact O-N 3.21Å; E1014-L1017 PolarHBondContact O-N 2.97Å; L1017-M1020 PolarHBondContact O-N 3.32Å; L1017-C1021 PolarHBondContact O-N 3.11Å; L1017-C1021 PolarHBondContact O-SG 3.42Å; L1017-F1036 HydrophobicContact CD2-CB 4.13Å; L1017-F1036 HydrophobicContact CD2-CD1 3.83Å; L1017-F1036 HydrophobicContact CD2-CG 4.38Å; L1017-A1039 HydrophobicContact CD1-CB 4.15Å; L1017-A1039 HydrophobicContact CD2-CB 3.96Å; L1017-M1043 HydrophobicContact CD1-CE 3.56Å
1018	C	93.7	Very high	94.3	Very high	51 Å²	51	35.9 Å²	35.9	35%	0.345	19%	0.189	S	C	.	.	H	α-helix	trans	-64.3	-44.2	170.9	-81.2	0	0	0	0	111.9	E1014 E1015 M1020 C1021 L1022	E1014-C1018 PolarHBondContact O-N 3.44Å; E1014-C1018 PolarHBondContact OE1-SG 3.02Å; E1015-C1018 PolarHBondContact O-N 3.4Å; C1018-M1020 VanDerWaalsContact C-N 3.32Å; C1018-M1020 PolarHBondContact O-N 3.27Å; C1018-C1021 WeakPolarHBondContact O-CB 3.43Å; C1018-C1021 PolarHBondContact O-N 2.78Å; C1018-L1022 PolarHBondContact O-N 2.78Å; C1018-L1022 VanDerWaalsContact O-N 3.08Å
1019	E	94.2	Very high	94.6	Very high	23 Å²	23	33.6 Å²	33.6	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-42.7	171.6	-72.2	-177.5	166.3	0	0	111.9	E893 S895 A896 E1015 L1016 C1021 L1022 A1023	E893-E1019 VanDerWaalsContact O-CB 3.28Å; E893-E1019 WeakPolarHBondContact O-CB 3.26Å; E893-E1019 WeakPolarHBondContact O-CG 3.46Å; S895-E1019 WeakPolarHBondContact CA-OE1 3.13Å; S895-E1019 WeakPolarHBondContact CB-OE1 3.22Å; S895-E1019 PolarHBondContact N-OE1 2.97Å; S895-E1019 VanDerWaalsContact N-OE1 3.13Å; S895-E1019 PolarHBondContact N-OE2 3.42Å; S895-E1019 PolarHBondContact OG-OE1 3Å; A896-E1019 WeakPolarHBondContact CB-OE2 3.25Å; A896-E1019 PolarHBondContact N-OE1 3.13Å; A896-E1019 VanDerWaalsContact N-OE1 3.09Å; A896-E1019 PolarHBondContact N-OE2 3.16Å; E1015-E1019 WeakPolarHBondContact O-CG 3.32Å; E1015-E1019 PolarHBondContact O-N 3.36Å; L1016-E1019 WeakPolarHBondContact O-CB 3.46Å; L1016-E1019 PolarHBondContact O-N 2.94Å; E1019-C1021 VanDerWaalsContact C-N 3.31Å; E1019-C1021 PolarHBondContact O-N 2.84Å; E1019-L1022 WeakPolarHBondContact O-CB 3.38Å; E1019-L1022 PolarHBondContact O-N 2.83Å; E1019-L1022 VanDerWaalsContact O-N 3.14Å; E1019-A1023 WeakPolarHBondContact O-CB 3.35Å; E1019-A1023 PolarHBondContact O-N 2.85Å
1020	M	96.2	Very high	94.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-30.1	176.5	-69.9	-68.6	-76.1	0	0	112.8	I894 L902 L906 F911 L923 L1016 L1017 C1018 A1024 F1036	I894-M1020 HydrophobicContact CD1-SD 3.81Å; I894-M1020 HydrophobicContact CG1-SD 4.41Å; L902-M1020 HydrophobicContact CB-SD 4.2Å; L902-M1020 HydrophobicContact CD1-SD 4.36Å; L906-M1020 HydrophobicContact CD1-CE 3.89Å; L906-M1020 HydrophobicContact CD1-SD 4.11Å; L906-M1020 HydrophobicContact CD2-CE 3.95Å; L906-M1020 HydrophobicContact CG-CE 3.86Å; F911-M1020 HydrophobicContact CD2-CE 4.41Å; F911-M1020 HydrophobicContact CE2-CE 3.84Å; F911-M1020 HydrophobicContact CZ-CE 4.03Å; L923-M1020 HydrophobicContact CD1-CG 4.25Å; L923-M1020 HydrophobicContact CD2-CE 4.13Å; L1016-M1020 HydrophobicContact CD1-CG 4.31Å; L1016-M1020 HydrophobicContact CG-CG 4.32Å; L1016-M1020 WeakPolarHBondContact O-CB 3.36Å; L1016-M1020 WeakPolarHBondContact O-CG 3.33Å; L1016-M1020 PolarHBondContact O-N 2.89Å; L1017-M1020 PolarHBondContact O-N 3.32Å; C1018-M1020 VanDerWaalsContact C-N 3.32Å; C1018-M1020 PolarHBondContact O-N 3.27Å; M1020-A1024 VanDerWaalsContact O-CB 3.25Å; M1020-A1024 WeakPolarHBondContact O-CB 3.35Å; M1020-A1024 PolarHBondContact O-N 3.05Å; M1020-F1036 HydrophobicContact CB-CB 4.47Å; M1020-F1036 HydrophobicContact CB-CD1 4.26Å; M1020-F1036 HydrophobicContact CB-CD2 3.87Å; M1020-F1036 HydrophobicContact CB-CE1 4.49Å; M1020-F1036 HydrophobicContact CB-CE2 4.12Å; M1020-F1036 HydrophobicContact CB-CG 3.96Å; M1020-F1036 HydrophobicContact CB-CZ 4.43Å; M1020-F1036 HydrophobicContact CE-CE1 4.13Å; M1020-F1036 HydrophobicContact CE-CE2 4.06Å; M1020-F1036 HydrophobicContact CE-CZ 3.62Å; M1020-F1036 WeakPolarHBondContact O-CD2 3.48Å
1021	C	95.8	Very high	94.6	Very high	18 Å²	18	47.6 Å²	47.6	12%	0.122	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-47	168.6	-64.6	0	0	0	0	111.3	L1017 C1018 E1019 A1024 K1025 F1036 N1037	L1017-C1021 PolarHBondContact O-N 3.11Å; L1017-C1021 PolarHBondContact O-SG 3.42Å; C1018-C1021 WeakPolarHBondContact O-CB 3.43Å; C1018-C1021 PolarHBondContact O-N 2.78Å; E1019-C1021 VanDerWaalsContact C-N 3.31Å; E1019-C1021 PolarHBondContact O-N 2.84Å; C1021-A1024 PolarHBondContact O-N 3Å; C1021-K1025 VanDerWaalsContact O-CB 3.3Å; C1021-K1025 WeakPolarHBondContact O-CB 3.38Å; C1021-K1025 PolarHBondContact O-N 3.28Å; C1021-F1036 VanDerWaalsContact SG-C 3.56Å; C1021-F1036 WeakPolarHBondContact SG-CB 3.1Å; C1021-N1037 PolarHBondContact SG-N 3.03Å
1022	L	94	Very high	94.8	Very high	86 Å²	86	45.7 Å²	45.7	45%	0.45	24%	0.242	S	C	.	.	H	α-helix	trans	-63	-42.4	177.5	-65.2	175.3	0	0	0	111.5	E893 C1018 E1019 K1025 A1026	E893-L1022 HydrophobicContact CB-CB 4.07Å; E893-L1022 HydrophobicContact CG-CB 4.36Å; C1018-L1022 PolarHBondContact O-N 2.78Å; C1018-L1022 VanDerWaalsContact O-N 3.08Å; E1019-L1022 WeakPolarHBondContact O-CB 3.38Å; E1019-L1022 PolarHBondContact O-N 2.83Å; E1019-L1022 VanDerWaalsContact O-N 3.14Å; L1022-K1025 WeakPolarHBondContact O-CB 3.25Å; L1022-K1025 PolarHBondContact O-N 2.89Å; L1022-A1026 WeakPolarHBondContact O-CB 3.36Å; L1022-A1026 PolarHBondContact O-N 3.46Å
1023	A	96	Very high	95	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-46.5	174.3	0	0	0	0	0	111.9	V890 E893 I894 L906 E1019 K1025 A1026 M1027	V890-A1023 HydrophobicContact CG1-CB 3.85Å; E893-A1023 HydrophobicContact CB-CB 4.36Å; I894-A1023 HydrophobicContact CD1-CB 4.13Å; I894-A1023 HydrophobicContact CG1-CB 4.01Å; L906-A1023 HydrophobicContact CD1-CB 4.12Å; E1019-A1023 WeakPolarHBondContact O-CB 3.35Å; E1019-A1023 PolarHBondContact O-N 2.85Å; A1023-K1025 VanDerWaalsContact C-N 3.35Å; A1023-K1025 PolarHBondContact O-N 2.7Å; A1023-A1026 PolarHBondContact O-N 3.24Å; A1023-M1027 WeakPolarHBondContact O-CB 3.33Å; A1023-M1027 PolarHBondContact O-N 3.34Å
1024	A	96.2	Very high	95.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-38.7	176.2	0	0	0	0	0	112.6	M1020 C1021 M1027 G1028 S1029 L1032 E1033 F1036	M1020-A1024 VanDerWaalsContact O-CB 3.25Å; M1020-A1024 WeakPolarHBondContact O-CB 3.35Å; M1020-A1024 PolarHBondContact O-N 3.05Å; C1021-A1024 PolarHBondContact O-N 3Å; A1024-M1027 CarbonylContact O-C 3.56Å; A1024-M1027 WeakPolarHBondContact O-CB 3.35Å; A1024-M1027 PolarHBondContact O-N 3.26Å; A1024-G1028 PolarHBondContact O-N 3.2Å; A1024-S1029 PolarHBondContact O-N 2.95Å; A1024-L1032 HydrophobicContact CB-CB 3.8Å; A1024-E1033 HydrophobicContact CB-CB 4.25Å; A1024-F1036 HydrophobicContact CB-CD2 4.14Å; A1024-F1036 HydrophobicContact CB-CE2 4.24Å
1025	K	95.8	Very high	95.2	Very high	124 Å²	124	49.2 Å²	49.2	54%	0.539	26%	0.262	S	S	.	.	H	α-helix	trans	-65.5	-43.6	174	-174.9	-178.8	-170	163.4	0	112.2	C1021 L1022 A1023 M1027 G1028 E1033	C1021-K1025 VanDerWaalsContact O-CB 3.3Å; C1021-K1025 WeakPolarHBondContact O-CB 3.38Å; C1021-K1025 PolarHBondContact O-N 3.28Å; L1022-K1025 WeakPolarHBondContact O-CB 3.25Å; L1022-K1025 PolarHBondContact O-N 2.89Å; A1023-K1025 VanDerWaalsContact C-N 3.35Å; A1023-K1025 PolarHBondContact O-N 2.7Å; K1025-M1027 VanDerWaalsContact C-N 3.27Å; K1025-M1027 PolarHBondContact O-N 3.33Å; K1025-G1028 PolarHBondContact O-N 3.33Å; K1025-E1033 HydrophobicContact CB-CG 4.41Å; K1025-E1033 WeakPolarHBondContact CD-OE1 3.4Å
1026	A	94	Very high	95.4	Very high	41 Å²	41	46.3 Å²	46.3	34%	0.339	25%	0.248	S	C	.	.	H	α-helix	trans	-63.4	-32.7	174.2	0	0	0	0	0	112.2	L886 V890 E893 L1022 A1023 G1028	L886-A1026 WeakPolarHBondContact CD1-O 3.46Å; V890-A1026 HydrophobicContact CG2-CB 4.27Å; E893-A1026 HydrophobicContact CG-CB 4.34Å; L1022-A1026 WeakPolarHBondContact O-CB 3.36Å; L1022-A1026 PolarHBondContact O-N 3.46Å; A1023-A1026 PolarHBondContact O-N 3.24Å; A1026-G1028 VanDerWaalsContact C-N 3.29Å
1027	M	94.5	Very high	95.5	Very high	41 Å²	41	49.7 Å²	49.7	20%	0.202	27%	0.266	C	S	.	.	H	α-helix	trans	-74.1	-17.2	171.7	-167.6	170.6	64.7	0	0	113.2	V890 L906 F907 A1023 A1024 K1025 L1032	V890-M1027 HydrophobicContact CG2-CB 3.74Å; V890-M1027 HydrophobicContact CG2-CG 4.39Å; L906-M1027 HydrophobicContact CB-SD 4.37Å; L906-M1027 HydrophobicContact CD2-CE 4.28Å; F907-M1027 HydrophobicContact CD2-SD 4.1Å; F907-M1027 HydrophobicContact CE2-CG 4.43Å; F907-M1027 HydrophobicContact CE2-SD 3.94Å; F907-M1027 HydrophobicContact CG-SD 4.5Å; F907-M1027 HydrophobicContact CZ-CG 4.2Å; F907-M1027 HydrophobicContact CZ-SD 4.17Å; A1023-M1027 WeakPolarHBondContact O-CB 3.33Å; A1023-M1027 PolarHBondContact O-N 3.34Å; A1024-M1027 CarbonylContact O-C 3.56Å; A1024-M1027 WeakPolarHBondContact O-CB 3.35Å; A1024-M1027 PolarHBondContact O-N 3.26Å; K1025-M1027 VanDerWaalsContact C-N 3.27Å; K1025-M1027 PolarHBondContact O-N 3.33Å; M1027-L1032 HydrophobicContact CE-CD1 3.55Å
1028	G	94.3	Very high	95.5	Very high	60 Å²	60	52.8 Å²	52.8	62%	0.619	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	10.5	-177.2	0	0	0	0	0	115.3	A1024 K1025 A1026 K1030	A1024-G1028 PolarHBondContact O-N 3.2Å; K1025-G1028 PolarHBondContact O-N 3.33Å; A1026-G1028 VanDerWaalsContact C-N 3.29Å; G1028-K1030 PolarHBondContact O-N 3.29Å
1029	S	95.2	Very high	95.7	Very high	33 Å²	33	50.4 Å²	50.4	23%	0.231	27%	0.267	C	S	.	.			trans	-94.5	93.7	-179.2	-174.9	0	0	0	0	112	A1024 E1031 L1032 E1033	A1024-S1029 PolarHBondContact O-N 2.95Å; S1029-E1031 PolarHBondContact O-N 2.85Å; S1029-L1032 PolarHBondContact O-N 2.89Å; S1029-L1032 PolarHBondContact OG-N 3.18Å; S1029-E1033 PolarHBondContact O-N 2.84Å
1030	K	95	Very high	95.7	Very high	166 Å²	166	49.5 Å²	49.5	72%	0.722	26%	0.263	S	S	*	.	H	α-helix	trans	-61.8	-29.6	175.8	-67.7	-169.6	177	-172.5	0	113.7	G1028 Q1034	G1028-K1030 PolarHBondContact O-N 3.29Å; K1030-Q1034 WeakPolarHBondContact O-CB 3.45Å; K1030-Q1034 PolarHBondContact O-N 2.84Å
1031	E	95.8	Very high	95.7	Very high	135 Å²	135	53.8 Å²	53.8	63%	0.631	29%	0.289	S	S	*	.	H	α-helix	trans	-68.6	-42.2	178.9	-172.2	-177.9	162.7	0	0	111.2	S1029 K1035	S1029-E1031 PolarHBondContact O-N 2.85Å; E1031-K1035 VanDerWaalsContact O-CB 3.3Å; E1031-K1035 WeakPolarHBondContact O-CB 3.38Å; E1031-K1035 PolarHBondContact O-N 2.83Å
1032	L	96.1	Very high	95.7	Very high	12 Å²	12	54.3 Å²	54.3	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-72.8	-38.3	174.9	-69	173.5	0	0	0	111.8	L906 F911 A1024 M1027 S1029 Q1034 K1035 F1036	L906-L1032 HydrophobicContact CD2-CD1 4.2Å; F911-L1032 HydrophobicContact CB-CD2 3.73Å; A1024-L1032 HydrophobicContact CB-CB 3.8Å; M1027-L1032 HydrophobicContact CE-CD1 3.55Å; S1029-L1032 PolarHBondContact O-N 2.89Å; S1029-L1032 PolarHBondContact OG-N 3.18Å; L1032-Q1034 PolarHBondContact O-N 3.16Å; L1032-K1035 PolarHBondContact O-N 3.48Å; L1032-F1036 HydrophobicContact CB-CD2 4.38Å; L1032-F1036 HydrophobicContact CB-CE2 4.01Å; L1032-F1036 WeakPolarHBondContact O-CD2 3.42Å; L1032-F1036 WeakPolarHBondContact O-CG 3.39Å; L1032-F1036 PolarHBondContact O-N 3.3Å
1033	E	96.3	Very high	95.7	Very high	55 Å²	55	50.2 Å²	50.2	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-54.8	-50.4	171.9	-177.2	-179.4	-167.2	0	0	110.7	A1024 K1025 S1029 N1037	A1024-E1033 HydrophobicContact CB-CB 4.25Å; K1025-E1033 HydrophobicContact CB-CG 4.41Å; K1025-E1033 WeakPolarHBondContact CD-OE1 3.4Å; S1029-E1033 PolarHBondContact O-N 2.84Å; E1033-N1037 VanDerWaalsContact O-CB 3.31Å; E1033-N1037 WeakPolarHBondContact O-CB 3.36Å; E1033-N1037 PolarHBondContact O-N 3.35Å
1034	Q	96.5	Very high	95.5	Very high	103 Å²	103	54.9 Å²	54.9	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-63.4	-43.8	176.8	-171.3	64	50.8	0	0	112	K1030 L1032 F1036 N1037 D1038	K1030-Q1034 WeakPolarHBondContact O-CB 3.45Å; K1030-Q1034 PolarHBondContact O-N 2.84Å; L1032-Q1034 PolarHBondContact O-N 3.16Å; Q1034-F1036 PolarHBondContact O-N 2.97Å; Q1034-N1037 WeakPolarHBondContact O-CB 3.44Å; Q1034-N1037 PolarHBondContact O-N 3.42Å; Q1034-D1038 PolarHBondContact NE2-OD1 3.38Å; Q1034-D1038 WeakPolarHBondContact O-CB 3.47Å; Q1034-D1038 PolarHBondContact O-N 3.46Å
1035	K	96.4	Very high	95.3	Very high	25 Å²	25	58.3 Å²	58.3	11%	0.109	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-43.1	-178.1	-173.3	-179.6	-60.2	-165.2	0	113.3	F911 A912 L914 P916 E1031 L1032 N1037 D1038 A1039	F911-K1035 PolarHBondContact O-NZ 3.32Å; A912-K1035 PolarHBondContact O-NZ 2.93Å; L914-K1035 WeakPolarHBondContact O-CD 3.39Å; L914-K1035 WeakPolarHBondContact O-CE 3.49Å; L914-K1035 PolarHBondContact O-NZ 2.9Å; P916-K1035 HydrophobicContact CG-CG 4.25Å; E1031-K1035 VanDerWaalsContact O-CB 3.3Å; E1031-K1035 WeakPolarHBondContact O-CB 3.38Å; E1031-K1035 PolarHBondContact O-N 2.83Å; L1032-K1035 PolarHBondContact O-N 3.48Å; K1035-N1037 VanDerWaalsContact C-N 3.35Å; K1035-D1038 PolarHBondContact O-N 3.37Å; K1035-A1039 WeakPolarHBondContact O-CB 3.48Å; K1035-A1039 PolarHBondContact O-N 3.12Å
1036	F	97.2	Very high	95	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70	-34.1	175.4	-64.3	-50.8	0	0	0	111.7	L906 F911 C919 L923 L1017 M1020 C1021 A1024 L1032 Q1034 A1039 S1040	L906-F1036 HydrophobicContact CD2-CE2 3.84Å; L906-F1036 HydrophobicContact CD2-CZ 4.01Å; F911-F1036 HydrophobicContact CB-CE1 4.37Å; F911-F1036 HydrophobicContact CB-CZ 3.92Å; F911-F1036 AromaticContact CD1-CE1 3.91Å; F911-F1036 HydrophobicContact CD1-CE1 3.91Å; F911-F1036 HydrophobicContact CD1-CZ 4.05Å; F911-F1036 HydrophobicContact CD2-CZ 4.07Å; F911-F1036 HydrophobicContact CE1-CE1 4.36Å; F911-F1036 HydrophobicContact CG-CE1 4.1Å; F911-F1036 AromaticContact CG-CZ 3.76Å; F911-F1036 HydrophobicContact CG-CZ 3.76Å; C919-F1036 HydrophobicContact CB-CD1 4.48Å; C919-F1036 HydrophobicContact CB-CE1 4.37Å; L923-F1036 HydrophobicContact CD1-CD1 4.31Å; L923-F1036 HydrophobicContact CD1-CE1 4.15Å; L1017-F1036 HydrophobicContact CD2-CB 4.13Å; L1017-F1036 HydrophobicContact CD2-CD1 3.83Å; L1017-F1036 HydrophobicContact CD2-CG 4.38Å; M1020-F1036 HydrophobicContact CB-CB 4.47Å; M1020-F1036 HydrophobicContact CB-CD1 4.26Å; M1020-F1036 HydrophobicContact CB-CD2 3.87Å; M1020-F1036 HydrophobicContact CB-CE1 4.49Å; M1020-F1036 HydrophobicContact CB-CE2 4.12Å; M1020-F1036 HydrophobicContact CB-CG 3.96Å; M1020-F1036 HydrophobicContact CB-CZ 4.43Å; M1020-F1036 HydrophobicContact CE-CE1 4.13Å; M1020-F1036 HydrophobicContact CE-CE2 4.06Å; M1020-F1036 HydrophobicContact CE-CZ 3.62Å; M1020-F1036 WeakPolarHBondContact O-CD2 3.48Å; C1021-F1036 VanDerWaalsContact SG-C 3.56Å; C1021-F1036 WeakPolarHBondContact SG-CB 3.1Å; A1024-F1036 HydrophobicContact CB-CD2 4.14Å; A1024-F1036 HydrophobicContact CB-CE2 4.24Å; L1032-F1036 HydrophobicContact CB-CD2 4.38Å; L1032-F1036 HydrophobicContact CB-CE2 4.01Å; L1032-F1036 WeakPolarHBondContact O-CD2 3.42Å; L1032-F1036 WeakPolarHBondContact O-CG 3.39Å; L1032-F1036 PolarHBondContact O-N 3.3Å; Q1034-F1036 PolarHBondContact O-N 2.97Å; F1036-A1039 PolarHBondContact O-N 3.18Å; F1036-S1040 PolarHBondContact O-N 3.19Å
1037	N	96.5	Very high	94.8	Very high	71 Å²	71	52.6 Å²	52.6	38%	0.38	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-45.4	172.7	175.9	82.7	0	0	0	111.5	C1021 E1033 Q1034 K1035 A1039 S1040 V1041	C1021-N1037 PolarHBondContact SG-N 3.03Å; E1033-N1037 VanDerWaalsContact O-CB 3.31Å; E1033-N1037 WeakPolarHBondContact O-CB 3.36Å; E1033-N1037 PolarHBondContact O-N 3.35Å; Q1034-N1037 WeakPolarHBondContact O-CB 3.44Å; Q1034-N1037 PolarHBondContact O-N 3.42Å; K1035-N1037 VanDerWaalsContact C-N 3.35Å; N1037-A1039 VanDerWaalsContact C-N 3.28Å; N1037-A1039 PolarHBondContact O-N 3.21Å; N1037-S1040 PolarHBondContact O-N 3.35Å; N1037-S1040 VanDerWaalsContact O-N 3.14Å; N1037-V1041 WeakPolarHBondContact O-CG2 3.36Å; N1037-V1041 PolarHBondContact O-N 2.91Å
1038	D	96.9	Very high	94.6	Very high	65 Å²	65	50.7 Å²	50.7	35%	0.348	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-37.8	176.7	-66.7	-15.5	0	0	0	111.3	P916 Q1034 K1035 V1041 A1042	P916-D1038 HydrophobicContact CB-CB 4.22Å; P916-D1038 HydrophobicContact CG-CB 4.04Å; Q1034-D1038 PolarHBondContact NE2-OD1 3.38Å; Q1034-D1038 WeakPolarHBondContact O-CB 3.47Å; Q1034-D1038 PolarHBondContact O-N 3.46Å; K1035-D1038 PolarHBondContact O-N 3.37Å; D1038-V1041 PolarHBondContact O-N 2.82Å; D1038-A1042 WeakPolarHBondContact O-CB 3.47Å; D1038-A1042 PolarHBondContact O-N 3.13Å
1039	A	96.9	Very high	94.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.5	-42	173.3	0	0	0	0	0	112.5	P916 A920 L1017 K1035 F1036 N1037 A1042 M1043	P916-A1039 HydrophobicContact CB-CB 3.94Å; P916-A1039 VanDerWaalsContact O-CB 3.31Å; P916-A1039 WeakPolarHBondContact O-CB 3.42Å; A920-A1039 HydrophobicContact CB-CB 4.38Å; L1017-A1039 HydrophobicContact CD1-CB 4.15Å; L1017-A1039 HydrophobicContact CD2-CB 3.96Å; K1035-A1039 WeakPolarHBondContact O-CB 3.48Å; K1035-A1039 PolarHBondContact O-N 3.12Å; F1036-A1039 PolarHBondContact O-N 3.18Å; N1037-A1039 VanDerWaalsContact C-N 3.28Å; N1037-A1039 PolarHBondContact O-N 3.21Å; A1039-A1042 PolarHBondContact O-N 2.8Å; A1039-M1043 WeakPolarHBondContact O-CB 3.4Å; A1039-M1043 PolarHBondContact O-N 3.27Å; A1039-M1043 VanDerWaalsContact O-N 3.13Å
1040	S	95.2	Very high	94	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.028	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-45.1	173.1	177.8	0	0	0	0	111	E1014 F1036 N1037 M1043 K1044	E1014-S1040 PolarHBondContact OE1-OG 3.36Å; F1036-S1040 PolarHBondContact O-N 3.19Å; N1037-S1040 PolarHBondContact O-N 3.35Å; N1037-S1040 VanDerWaalsContact O-N 3.14Å; S1040-M1043 PolarHBondContact O-N 3.42Å; S1040-K1044 WeakPolarHBondContact O-CB 3.22Å; S1040-K1044 WeakPolarHBondContact O-CG 3.36Å; S1040-K1044 PolarHBondContact O-N 3.16Å; S1040-K1044 WeakPolarHBondContact OG-CE 3.26Å; S1040-K1044 PolarHBondContact OG-NZ 3.33Å
1041	V	95.3	Very high	93.3	Very high	91 Å²	91	45.5 Å²	45.5	55%	0.552	25%	0.251	S	S	*	.	H	α-helix	trans	-62.2	-45.1	177.4	171.9	0	0	0	0	111.9	N1037 D1038 M1043 K1044	N1037-V1041 WeakPolarHBondContact O-CG2 3.36Å; N1037-V1041 PolarHBondContact O-N 2.91Å; D1038-V1041 PolarHBondContact O-N 2.82Å; V1041-M1043 PolarHBondContact O-N 3.35Å; V1041-K1044 PolarHBondContact O-N 3.18Å
1042	A	95.1	Very high	92.8	Very high	29 Å²	29	39.7 Å²	39.7	24%	0.24	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-34	177.3	0	0	0	0	0	112.6	C987 D1038 A1039 R1045	C987-A1042 HydrophobicContact CB-CB 4.31Å; D1038-A1042 WeakPolarHBondContact O-CB 3.47Å; D1038-A1042 PolarHBondContact O-N 3.13Å; A1039-A1042 PolarHBondContact O-N 2.8Å; A1042-R1045 WeakPolarHBondContact O-CD 3.48Å
1043	M	93.9	Very high	92.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-80.6	-31.8	177.6	-176.8	169.9	55.2	0	0	113.4	W986 M1010 L1013 E1014 L1017 A1039 S1040 V1041 R1045 F1049	W986-M1043 PolarHBondContact NE1-O 3.17Å; M1010-M1043 HydrophobicContact CB-SD 4.24Å; M1010-M1043 HydrophobicContact SD-CG 4.41Å; M1010-M1043 HydrophobicContact SD-SD 3.99Å; L1013-M1043 HydrophobicContact CB-CE 4.26Å; L1013-M1043 HydrophobicContact CB-SD 4.24Å; L1013-M1043 HydrophobicContact CD2-CE 4.4Å; L1013-M1043 HydrophobicContact CD2-SD 3.79Å; L1013-M1043 HydrophobicContact CG-CE 4.04Å; L1013-M1043 HydrophobicContact CG-SD 4.05Å; E1014-M1043 VanDerWaalsContact CA-CE 3.48Å; E1014-M1043 HydrophobicContact CB-CE 3.51Å; E1014-M1043 HydrophobicContact CG-CE 3.81Å; L1017-M1043 HydrophobicContact CD1-CE 3.56Å; A1039-M1043 WeakPolarHBondContact O-CB 3.4Å; A1039-M1043 PolarHBondContact O-N 3.27Å; A1039-M1043 VanDerWaalsContact O-N 3.13Å; S1040-M1043 PolarHBondContact O-N 3.42Å; V1041-M1043 PolarHBondContact O-N 3.35Å; M1043-R1045 VanDerWaalsContact C-N 3.31Å; M1043-R1045 PolarHBondContact O-N 3.16Å; M1043-F1049 HydrophobicContact CE-CZ 4.44Å; M1043-F1049 HydrophobicContact CG-CE2 3.82Å; M1043-F1049 HydrophobicContact CG-CZ 4.11Å; M1043-F1049 WeakPolarHBondContact O-CD2 3.32Å; M1043-F1049 WeakPolarHBondContact O-CE2 3.45Å
1044	K	91.9	Very high	91.2	Very high	97 Å²	97	38.7 Å²	38.7	42%	0.422	22%	0.219	S	C	.	.	S	Bend	trans	-71.8	71.2	-178.5	-82.8	-178.2	-178.7	168	0	113.9	E1014 S1040 V1041 F1049	E1014-K1044 HydrophobicContact CG-CD 4.47Å; E1014-K1044 VanDerWaalsContact CG-CE 3.41Å; E1014-K1044 HydrophobicContact CG-CG 4.18Å; E1014-K1044 WeakPolarHBondContact OE1-CE 3.43Å; E1014-K1044 IonicContact OE1-NZ 3.86Å; E1014-K1044 PolarHBondContact OE1-NZ 2.8Å; E1014-K1044 WeakPolarHBondContact OE2-CE 3.49Å; E1014-K1044 IonicContact OE2-NZ 3.5Å; E1014-K1044 PolarHBondContact OE2-NZ 2.97Å; S1040-K1044 WeakPolarHBondContact O-CB 3.22Å; S1040-K1044 WeakPolarHBondContact O-CG 3.36Å; S1040-K1044 PolarHBondContact O-N 3.16Å; S1040-K1044 WeakPolarHBondContact OG-CE 3.26Å; S1040-K1044 PolarHBondContact OG-NZ 3.33Å; V1041-K1044 PolarHBondContact O-N 3.18Å; K1044-F1049 HydrophobicContact CG-CD1 4.18Å; K1044-F1049 HydrophobicContact CG-CD2 4.43Å; K1044-F1049 HydrophobicContact CG-CE1 4.23Å; K1044-F1049 HydrophobicContact CG-CE2 4.48Å; K1044-F1049 HydrophobicContact CG-CG 4.29Å; K1044-F1049 HydrophobicContact CG-CZ 4.4Å
1045	R	91.7	Very high	90.5	Very high	73 Å²	73	38.4 Å²	38.4	28%	0.275	22%	0.221	S	C	.	.			trans	-148.5	172.8	177.3	63.5	-171.7	-172	77.8	11.4	113.1	W986 G989 K990 A1042 M1043	W986-R1045 VanDerWaalsContact CD2-NH2 3.34Å; W986-R1045 HydrophobicContact CH2-CG 4.29Å; W986-R1045 HydrophobicContact CZ2-CG 3.62Å; W986-R1045 WeakPolarHBondContact CZ2-O 3.46Å; W986-R1045 PolarHBondContact O-NE 3.33Å; W986-R1045 PolarHBondContact O-NH2 2.83Å; G989-R1045 VanDerWaalsContact C-NH2 3.26Å; K990-R1045 PolarHBondContact O-NH1 3.44Å; K990-R1045 PolarHBondContact O-NH2 3.14Å; A1042-R1045 WeakPolarHBondContact O-CD 3.48Å; M1043-R1045 VanDerWaalsContact C-N 3.31Å; M1043-R1045 PolarHBondContact O-N 3.16Å
1046	G	89.7	Confident	90.2	Very high	41 Å²	41	39.1 Å²	39.1	42%	0.423	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	52.7	-155.3	170.1	0	0	0	0	0	115.5	V1048 F1049	G1046-V1048 PolarHBondContact O-N 2.84Å; G1046-F1049 PolarHBondContact O-N 2.94Å
1047	I	90.7	Very high	89.8	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-60.8	-24.2	-177.9	-167.2	164.3	0	0	0	115	L425 D429 L432 I435 L454 I456 F992 I1007 F1049 A1050	L425-I1047 HydrophobicContact CD1-CD1 3.99Å; L425-I1047 HydrophobicContact CD2-CB 4.42Å; L425-I1047 HydrophobicContact CD2-CD1 4.3Å; L425-I1047 HydrophobicContact CD2-CG1 3.94Å; D429-I1047 HydrophobicContact CB-CB 4.2Å; D429-I1047 HydrophobicContact CB-CD1 4.46Å; D429-I1047 PolarHBondContact OD2-N 3.44Å; L432-I1047 HydrophobicContact CD1-CD1 3.67Å; L432-I1047 HydrophobicContact CD1-CG2 4.38Å; I435-I1047 HydrophobicContact CD1-CD1 4.3Å; L454-I1047 HydrophobicContact CD1-CD1 3.87Å; L454-I1047 HydrophobicContact CD2-CD1 4.21Å; I456-I1047 HydrophobicContact CG2-CD1 4.48Å; F992-I1047 HydrophobicContact CB-CG2 3.77Å; F992-I1047 HydrophobicContact CD1-CG2 3.79Å; F992-I1047 HydrophobicContact CD2-CG2 3.63Å; F992-I1047 HydrophobicContact CE1-CG2 4.31Å; F992-I1047 HydrophobicContact CE2-CG2 4.17Å; F992-I1047 HydrophobicContact CG-CG2 3.42Å; F992-I1047 VanDerWaalsContact CG-CG2 3.42Å; F992-I1047 HydrophobicContact CZ-CG2 4.48Å; I1007-I1047 HydrophobicContact CD1-CG1 4.35Å; I1007-I1047 HydrophobicContact CD1-CG2 4.32Å; I1047-F1049 VanDerWaalsContact C-N 3.31Å; I1047-F1049 PolarHBondContact O-N 2.96Å; I1047-A1050 WeakPolarHBondContact O-CB 3.34Å; I1047-A1050 PolarHBondContact O-N 3.14Å
1048	V	90.8	Very high	89.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-61.3	-41.4	-176.3	-177.1	0	0	0	0	111.3	W986 F992 I1007 M1010 R1011 G1046	W986-V1048 HydrophobicContact CD2-CG2 4.43Å; W986-V1048 HydrophobicContact CH2-CG2 3.76Å; W986-V1048 HydrophobicContact CZ2-CB 3.99Å; W986-V1048 HydrophobicContact CZ2-CG2 3.34Å; W986-V1048 HydrophobicContact CZ3-CG2 4.46Å; F992-V1048 HydrophobicContact CD2-CG2 3.86Å; F992-V1048 HydrophobicContact CE2-CG2 3.9Å; I1007-V1048 HydrophobicContact CG1-CG2 4.24Å; I1007-V1048 HydrophobicContact CG2-CG1 4.21Å; I1007-V1048 WeakPolarHBondContact CG2-O 3.46Å; M1010-V1048 HydrophobicContact CB-CG1 3.4Å; M1010-V1048 VanDerWaalsContact CB-CG1 3.4Å; M1010-V1048 HydrophobicContact CG-CG1 4.05Å; R1011-V1048 PolarHBondContact NE-O 2.78Å; R1011-V1048 PolarHBondContact NH2-O 3.06Å; R1011-V1048 VanDerWaalsContact NH2-O 3.08Å; G1046-V1048 PolarHBondContact O-N 2.84Å
1049	F	88.4	Confident	89	Confident	55 Å²	55	38 Å²	38	24%	0.241	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-110.6	25.4	-179.3	-62.1	-89.7	0	0	0	112.6	R1011 E1014 M1043 K1044 G1046 I1047 A1051	R1011-F1049 HydrophobicContact CG-CE1 4.12Å; E1014-F1049 HydrophobicContact CB-CE1 3.75Å; E1014-F1049 HydrophobicContact CB-CZ 3.73Å; E1014-F1049 HydrophobicContact CG-CE1 3.65Å; E1014-F1049 HydrophobicContact CG-CZ 3.78Å; M1043-F1049 HydrophobicContact CE-CZ 4.44Å; M1043-F1049 HydrophobicContact CG-CE2 3.82Å; M1043-F1049 HydrophobicContact CG-CZ 4.11Å; M1043-F1049 WeakPolarHBondContact O-CD2 3.32Å; M1043-F1049 WeakPolarHBondContact O-CE2 3.45Å; K1044-F1049 HydrophobicContact CG-CD1 4.18Å; K1044-F1049 HydrophobicContact CG-CD2 4.43Å; K1044-F1049 HydrophobicContact CG-CE1 4.23Å; K1044-F1049 HydrophobicContact CG-CE2 4.48Å; K1044-F1049 HydrophobicContact CG-CG 4.29Å; K1044-F1049 HydrophobicContact CG-CZ 4.4Å; G1046-F1049 PolarHBondContact O-N 2.94Å; I1047-F1049 VanDerWaalsContact C-N 3.31Å; I1047-F1049 PolarHBondContact O-N 2.96Å; F1049-A1051 PolarHBondContact O-N 3.09Å
1050	A	87.1	Confident	88.5	Confident	22 Å²	22	40.4 Å²	40.4	18%	0.182	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-56.9	136.2	167.2	0	0	0	0	0	110.3	L425 R1011 I1047	L425-A1050 HydrophobicContact CD2-CB 3.93Å; R1011-A1050 PolarHBondContact NH2-O 3.43Å; I1047-A1050 WeakPolarHBondContact O-CB 3.34Å; I1047-A1050 PolarHBondContact O-N 3.14Å
1051	A	81.8	Confident	88	Confident	74 Å²	74	42.8 Å²	42.8	61%	0.612	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-61.7	152.5	176.1	0	0	0	0	0	111.2	F1049	F1049-A1051 PolarHBondContact O-N 3.09Å
1052	S	83.4	Confident	87.5	Confident	12 Å²	12	39.4 Å²	39.4	8%	0.084	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-70.8	138.5	174.3	-178	0	0	0	0	109.9	N186 E459 Y1054 L1055	N186-S1052 VanDerWaalsContact ND2-CB 3.35Å; N186-S1052 WeakPolarHBondContact ND2-CB 3.47Å; N186-S1052 PolarHBondContact ND2-OG 3.01Å; N186-S1052 VanDerWaalsContact ND2-OG 3.14Å; E459-S1052 VanDerWaalsContact CD-OG 3.25Å; E459-S1052 VanDerWaalsContact OE1-CB 3.31Å; E459-S1052 WeakPolarHBondContact OE1-CB 3.48Å; E459-S1052 PolarHBondContact OE1-OG 3.3Å; E459-S1052 VanDerWaalsContact OE2-CA 3.29Å; E459-S1052 WeakPolarHBondContact OE2-CA 3.33Å; E459-S1052 PolarHBondContact OE2-OG 3.47Å; S1052-Y1054 PolarHBondContact O-N 2.81Å; S1052-Y1054 VanDerWaalsContact O-N 3.16Å; S1052-L1055 PolarHBondContact O-N 3.23Å; S1052-L1055 VanDerWaalsContact O-N 3.1Å
1053	L	84.6	Confident	86.9	Confident	22 Å²	22	40.2 Å²	40.2	12%	0.115	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-7.3	176.3	-59.8	176.3	0	0	0	113.8	A421 L424 I456 E459 V460 I463 L1055	A421-L1053 HydrophobicContact CB-CD1 3.72Å; A421-L1053 HydrophobicContact CB-CD2 4.06Å; L424-L1053 HydrophobicContact CD1-CD2 3.41Å; L424-L1053 VanDerWaalsContact CD1-CD2 3.41Å; I456-L1053 HydrophobicContact CD1-CD2 4.37Å; I456-L1053 HydrophobicContact CG1-CD1 3.93Å; I456-L1053 HydrophobicContact CG1-CD2 4.27Å; I456-L1053 HydrophobicContact CG1-CG 4.1Å; E459-L1053 HydrophobicContact CB-CB 4.19Å; E459-L1053 HydrophobicContact CB-CD1 3.95Å; E459-L1053 HydrophobicContact CB-CG 4.27Å; E459-L1053 PolarHBondContact OE2-N 2.94Å; V460-L1053 HydrophobicContact CB-CD1 4.45Å; V460-L1053 HydrophobicContact CG2-CD1 3.41Å; V460-L1053 VanDerWaalsContact CG2-CD1 3.41Å; I463-L1053 HydrophobicContact CD1-CB 4.03Å; I463-L1053 HydrophobicContact CD1-CD1 4.25Å; L1053-L1055 VanDerWaalsContact C-N 3.32Å
1054	Y	76.1	Confident	86.4	Confident	25 Å²	25	43.5 Å²	43.5	10%	0.098	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.5	172.2	-69.9	-61.5	0	0	0	113.4	N186 E459 E462 S1052	N186-Y1054 HydrophobicContact CB-CG 4.4Å; E459-Y1054 HydrophobicContact CB-CE2 4.39Å; E459-Y1054 HydrophobicContact CG-CD2 4.2Å; E459-Y1054 HydrophobicContact CG-CE2 3.97Å; E462-Y1054 WeakPolarHBondContact CB-OH 3.48Å; E462-Y1054 PolarHBondContact OE2-OH 3.5Å; S1052-Y1054 PolarHBondContact O-N 2.81Å; S1052-Y1054 VanDerWaalsContact O-N 3.16Å
1055	L	80	Confident	85.9	Confident	97 Å²	97	38.6 Å²	38.6	51%	0.508	23%	0.233	S	C	.	.			trans	-111.6	0	-179.6	-55.1	177.8	0	0	0	110.9	N186 Y189 L201 V206 I208 S1052 L1053	N186-L1055 HydrophobicContact CB-CD2 4.24Å; Y189-L1055 HydrophobicContact CD1-CD2 3.9Å; Y189-L1055 HydrophobicContact CE1-CD2 4.22Å; L201-L1055 HydrophobicContact CD2-CD1 4.38Å; L201-L1055 HydrophobicContact CD2-CD2 3.52Å; V206-L1055 HydrophobicContact CB-CD1 4.38Å; V206-L1055 HydrophobicContact CG1-CD1 4.11Å; V206-L1055 HydrophobicContact CG2-CD1 4Å; I208-L1055 HydrophobicContact CD1-CD2 4.38Å; S1052-L1055 PolarHBondContact O-N 3.23Å; S1052-L1055 VanDerWaalsContact O-N 3.1Å; L1053-L1055 VanDerWaalsContact C-N 3.32Å

Retrieved 1,055 of 1,055 residues in 461.4 ms (Link to these results)

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