A0A077Z5D4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5D4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 663 aa.

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(Predicted Aligned Error values between residue pairs)

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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	36.9	Very low	38.3	Very low	247 Å²	247	158 Å²	158	100%	1.217	84%	0.842	S	S	*	*				0	125.7	0	-82.7	164.6	118.3	0	0	108
2	S	36.8	Very low	37.9	Very low	119 Å²	119	151.4 Å²	151.4	83%	0.832	83%	0.826	S	S	*	*			trans	33.5	106.4	-178.6	-68.8	0	0	0	0	119.6
3	K	36.3	Very low	37.8	Very low	193 Å²	193	150.9 Å²	150.9	84%	0.839	82%	0.823	S	S	*	*				86.8	138.2	57.4	-93	-166.1	174.4	-178.5	0	114.4
4	I	39.6	Very low	37.7	Very low	144 Å²	144	151.8 Å²	151.8	74%	0.738	83%	0.826	S	S	*	*			trans	89.6	95.8	164.7	-54.6	142.4	0	0	0	112
5	S	36.4	Very low	37.8	Very low	108 Å²	108	150.1 Å²	150.1	76%	0.755	82%	0.822	S	S	*	*			cis	53.4	100.3	47.4	-65.5	0	0	0	0	113.7
6	D	44	Very low	37.9	Very low	164 Å²	164	147.6 Å²	147.6	88%	0.877	82%	0.816	S	S	*	*			trans	-146.7	120.7	137.5	-92.2	-36.3	0	0	0	111
7	V	38.5	Very low	37.7	Very low	130 Å²	130	148.5 Å²	148.5	79%	0.788	82%	0.817	S	S	*	*			trans	-101.5	120.7	172.5	164.5	0	0	0	0	104.9
8	Q	40.3	Very low	37.7	Very low	183 Å²	183	153.3 Å²	153.3	86%	0.855	82%	0.822	S	S	*	*			trans	-108.1	113.9	164.5	-139.5	174.2	-5.2	0	0	109.4
9	K	36.6	Very low	37.6	Very low	192 Å²	192	149.9 Å²	149.9	84%	0.835	82%	0.817	S	S	*	*			trans	-95.1	120.8	177.9	-144.4	-177.1	-172.3	-175.7	0	106.4
10	I	37.9	Very low	37.5	Very low	148 Å²	148	148.5 Å²	148.5	76%	0.759	82%	0.818	S	S	*	*			trans	-138.2	90.5	163.1	-56.5	178.7	0	0	0	103.3
11	S	37.8	Very low	37.4	Very low	110 Å²	110	152.1 Å²	152.1	77%	0.769	82%	0.82	S	S	*	*				55.7	129.2	89.1	-160.2	0	0	0	0	114.1
12	A	34.1	Very low	37.5	Very low	79 Å²	79	148.2 Å²	148.2	65%	0.653	80%	0.803	S	S	*	*			trans	-69.5	175.8	-174.7	0	0	0	0	0	113.1
13	D	36.8	Very low	37.6	Very low	145 Å²	145	152.6 Å²	152.6	78%	0.775	81%	0.807	S	S	*	*			trans	93.4	86.4	171.5	-49.6	-28.5	0	0	0	114.6
14	D	36.2	Very low	37.6	Very low	163 Å²	163	149.7 Å²	149.7	87%	0.872	81%	0.806	S	S	*	*				-175.3	99.2	126.8	-95	-26.8	0	0	0	111.3
15	V	38.6	Very low	37.6	Very low	126 Å²	126	151.7 Å²	151.7	76%	0.764	81%	0.812	S	S	*	*			trans	-92.7	132.6	157.4	172.8	0	0	0	0	106.6
16	P	40.2	Very low	37.8	Very low	111 Å²	111	152 Å²	152	72%	0.721	81%	0.814	S	S	*	*			trans	-130.1	118.6	137.1	27.4	-12.4	0	0	0	111.6	R18	P16-R18 PolarHBondContact O-N 3.16Å; P16-R18 VanDerWaalsContact O-N 3.12Å
17	L	34.3	Very low	37.9	Very low	162 Å²	162	154.1 Å²	154.1	85%	0.848	82%	0.816	S	S	*	*			trans	-36.5	110.6	153.4	-78	120.7	0	0	0	111.5
18	R	36.5	Very low	38.4	Very low	236 Å²	236	153 Å²	153	89%	0.891	81%	0.812	S	S	*	*			trans	-134.8	64.9	159.2	-90.6	-170.5	-178.5	177	2.4	110.1	P16	P16-R18 PolarHBondContact O-N 3.16Å; P16-R18 VanDerWaalsContact O-N 3.12Å
19	A	36	Very low	38.7	Very low	89 Å²	89	152.9 Å²	152.9	74%	0.736	81%	0.811	S	S	*	*	S	Bend	trans	-132.4	76.5	159.1	0	0	0	0	0	106.9
20	S	35.8	Very low	39.2	Very low	120 Å²	120	150.3 Å²	150.3	84%	0.839	81%	0.806	S	S	*	*	S	Bend	trans	172.9	58	167	-78.1	0	0	0	0	110.8
21	R	35.6	Very low	39.7	Very low	225 Å²	225	154.2 Å²	154.2	85%	0.849	81%	0.811	S	S	*	*			trans	-155.3	63.8	166.9	-74.1	-162.5	-168.6	172.9	3.3	111.2
22	L	38.4	Very low	40.4	Very low	166 Å²	166	153.6 Å²	153.6	87%	0.869	80%	0.799	S	S	*	*	S	Bend	trans	-148.2	55.4	165.1	-84.5	175.3	0	0	0	108.6
23	F	39	Very low	41.6	Very low	210 Å²	210	157.5 Å²	157.5	92%	0.921	80%	0.803	S	S	*	*	S	Bend	trans	-172.5	69.8	167.7	-100.5	-72.3	0	0	0	107.4
24	T	36.7	Very low	42.5	Very low	132 Å²	132	153.5 Å²	153.5	81%	0.81	80%	0.796	S	S	*	*			trans	-165.9	38.3	172.5	8.5	0	0	0	0	113
25	E	39.1	Very low	43.5	Very low	187 Å²	187	151.1 Å²	151.1	87%	0.874	79%	0.787	S	S	*	*	S	Bend	trans	-144.8	90.9	164.2	-74.9	-170.4	164.7	0	0	107.6
26	S	41.5	Very low	44.4	Very low	113 Å²	113	150.1 Å²	150.1	79%	0.79	77%	0.774	S	S	*	*			trans	163	70.8	157.9	-74.4	0	0	0	0	110.4
27	F	46.6	Very low	45.5	Very low	209 Å²	209	151.7 Å²	151.7	92%	0.917	77%	0.77	S	S	*	*			trans	-153.2	117.1	155.2	-98.1	-72.6	0	0	0	110.3
28	P	48.6	Very low	47.3	Very low	108 Å²	108	148.3 Å²	148.3	70%	0.701	76%	0.756	S	S	*	*			trans	-78.6	134	179.8	31.3	-30.9	0	0	0	110.8	L30	P28-L30 PolarHBondContact O-N 2.92Å
29	Q	45.8	Very low	49.2	Very low	179 Å²	179	141.2 Å²	141.2	84%	0.836	74%	0.739	S	S	*	*			trans	1.5	96.1	154.4	-68.7	-103.2	-11.3	0	0	116
30	L	47.2	Very low	50.9	Low	138 Å²	138	139.6 Å²	139.6	72%	0.723	73%	0.725	S	S	*	*			trans	-113.4	103	159.5	-102.6	120.8	0	0	0	109.2	P28 L32	P28-L30 PolarHBondContact O-N 2.92Å; L30-L32 HydrophobicContact CB-CD1 4.18Å; L30-L32 HydrophobicContact CD2-CD1 4.15Å; L30-L32 HydrophobicContact CD2-CG 4.37Å; L30-L32 PolarHBondContact O-N 3.43Å
31	R	49.6	Very low	52.8	Low	230 Å²	230	138.3 Å²	138.3	87%	0.868	71%	0.708	S	S	*	*			trans	-64	107.9	164.2	-74.8	-178.2	-175.5	175.1	1.1	107.9
32	L	52.9	Low	54.9	Low	98 Å²	98	131.4 Å²	131.4	51%	0.513	69%	0.69	S	S	.	*			trans	-113.5	124.7	175.7	-82	156.6	0	0	0	110.6	L30 Q36	L30-L32 HydrophobicContact CB-CD1 4.18Å; L30-L32 HydrophobicContact CD2-CD1 4.15Å; L30-L32 HydrophobicContact CD2-CG 4.37Å; L30-L32 PolarHBondContact O-N 3.43Å; L32-Q36 HydrophobicContact CB-CB 4.37Å; L32-Q36 VanDerWaalsContact CD1-OE1 3.27Å; L32-Q36 VanDerWaalsContact CG-OE1 3.27Å
33	H	58.2	Low	56.9	Low	161 Å²	161	128.7 Å²	128.7	75%	0.745	68%	0.676	S	S	*	*			trans	-54	148.7	-176.4	-89.3	-112.7	0	0	0	112.9	T35 Q36	H33-T35 PolarHBondContact O-N 3.06Å; H33-Q36 PolarHBondContact O-N 2.77Å
34	G	55.4	Low	58.8	Low	61 Å²	61	121 Å²	121	63%	0.629	65%	0.652	S	S	*	*	H	α-helix	trans	-54.3	-12.9	-167.2	0	0	0	0	0	118.1
35	T	58.4	Low	60.9	Low	113 Å²	113	117.7 Å²	117.7	69%	0.693	63%	0.634	S	S	*	*	H	α-helix	trans	-78.7	-28.5	172	41.1	0	0	0	0	113.3	H33 F37	H33-T35 PolarHBondContact O-N 3.06Å; T35-F37 VanDerWaalsContact C-N 3.35Å
36	Q	57.2	Low	62.9	Low	104 Å²	104	112.6 Å²	112.6	49%	0.486	62%	0.615	S	S	.	*	H	α-helix	trans	-75.9	-25	174.9	-69.4	-162.5	-0.6	0	0	112.9	L32 H33 V38 V39 A40	L32-Q36 HydrophobicContact CB-CB 4.37Å; L32-Q36 VanDerWaalsContact CD1-OE1 3.27Å; L32-Q36 VanDerWaalsContact CG-OE1 3.27Å; H33-Q36 PolarHBondContact O-N 2.77Å; Q36-V38 VanDerWaalsContact C-N 3.35Å; Q36-V39 PolarHBondContact O-N 2.77Å; Q36-A40 WeakPolarHBondContact O-CB 3.34Å; Q36-A40 PolarHBondContact O-N 3.38Å
37	F	63	Low	64.7	Low	145 Å²	145	110.2 Å²	110.2	64%	0.636	60%	0.599	S	S	*	*	H	α-helix	trans	-66.2	-38.4	176.9	-155.4	-103	0	0	0	111.8	T35 A40 I41	T35-F37 VanDerWaalsContact C-N 3.35Å; F37-A40 PolarHBondContact O-N 3.1Å; F37-I41 HydrophobicContact CD1-CD1 3.52Å; F37-I41 HydrophobicContact CD1-CG1 4.33Å; F37-I41 HydrophobicContact CE1-CD1 3.53Å; F37-I41 HydrophobicContact CE1-CG1 4.33Å; F37-I41 VanDerWaalsContact O-CG1 3.3Å; F37-I41 WeakPolarHBondContact O-CG1 3.3Å; F37-I41 PolarHBondContact O-N 2.68Å
38	V	72.5	Confident	66.4	Low	91 Å²	91	105.1 Å²	105.1	55%	0.552	58%	0.58	S	S	*	*	H	α-helix	trans	-67.3	-42.7	177.2	-178.6	0	0	0	0	111	Q36 A40 I41 V42	Q36-V38 VanDerWaalsContact C-N 3.35Å; V38-A40 PolarHBondContact O-N 3.39Å; V38-I41 PolarHBondContact O-N 2.99Å; V38-V42 HydrophobicContact CG1-CG2 4.5Å; V38-V42 VanDerWaalsContact O-CG2 3.31Å; V38-V42 WeakPolarHBondContact O-CG2 3.42Å; V38-V42 PolarHBondContact O-N 3.5Å
39	V	75.4	Confident	68	Low	87 Å²	87	106.8 Å²	106.8	53%	0.527	58%	0.576	S	S	.	*	H	α-helix	trans	-64.8	-40.5	177.2	178.7	0	0	0	0	111.1	Q36 V42 L43	Q36-V39 PolarHBondContact O-N 2.77Å; V39-V42 PolarHBondContact O-N 2.83Å; V39-L43 HydrophobicContact CG1-CD1 3.87Å; V39-L43 HydrophobicContact CG1-CG 4.31Å; V39-L43 WeakPolarHBondContact O-CB 3.49Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.42Å; V39-L43 PolarHBondContact O-N 3.21Å
40	A	72.8	Confident	69.7	Low	55 Å²	55	102.4 Å²	102.4	46%	0.455	56%	0.562	S	S	.	*	H	α-helix	trans	-63.5	-40.8	175.7	0	0	0	0	0	112.3	Q36 F37 V38 L43 A44	Q36-A40 WeakPolarHBondContact O-CB 3.34Å; Q36-A40 PolarHBondContact O-N 3.38Å; F37-A40 PolarHBondContact O-N 3.1Å; V38-A40 PolarHBondContact O-N 3.39Å; A40-L43 PolarHBondContact O-N 2.74Å; A40-A44 VanDerWaalsContact O-CB 3.26Å; A40-A44 WeakPolarHBondContact O-CB 3.32Å; A40-A44 PolarHBondContact O-N 3.42Å
41	I	75.9	Confident	71.3	Confident	93 Å²	93	103.4 Å²	103.4	48%	0.477	56%	0.561	S	S	.	*	H	α-helix	trans	-65	-42.3	175.9	-70.5	168.8	0	0	0	111.2	F37 V38 A44 S45	F37-I41 HydrophobicContact CD1-CD1 3.52Å; F37-I41 HydrophobicContact CD1-CG1 4.33Å; F37-I41 HydrophobicContact CE1-CD1 3.53Å; F37-I41 HydrophobicContact CE1-CG1 4.33Å; F37-I41 VanDerWaalsContact O-CG1 3.3Å; F37-I41 WeakPolarHBondContact O-CG1 3.3Å; F37-I41 PolarHBondContact O-N 2.68Å; V38-I41 PolarHBondContact O-N 2.99Å; I41-A44 PolarHBondContact O-N 2.93Å; I41-S45 WeakPolarHBondContact O-CB 3.34Å; I41-S45 PolarHBondContact O-N 3.04Å; I41-S45 PolarHBondContact O-OG 3.27Å
42	V	79.8	Confident	72.8	Confident	79 Å²	79	97 Å²	97	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-67.2	-41.2	178.3	174	0	0	0	0	111.3	V38 V39 S45 V46	V38-V42 HydrophobicContact CG1-CG2 4.5Å; V38-V42 VanDerWaalsContact O-CG2 3.31Å; V38-V42 WeakPolarHBondContact O-CG2 3.42Å; V38-V42 PolarHBondContact O-N 3.5Å; V39-V42 PolarHBondContact O-N 2.83Å; V42-S45 PolarHBondContact O-N 3.34Å; V42-S45 PolarHBondContact O-OG 3.45Å; V42-V46 HydrophobicContact CG1-CG2 4.49Å; V42-V46 WeakPolarHBondContact O-CB 3.34Å; V42-V46 VanDerWaalsContact O-CG2 3.26Å; V42-V46 WeakPolarHBondContact O-CG2 3.45Å; V42-V46 PolarHBondContact O-N 2.97Å
43	L	79.9	Confident	74	Confident	109 Å²	109	95.6 Å²	95.6	57%	0.571	54%	0.536	S	S	*	.	H	α-helix	trans	-67.2	-36.9	175.9	-72	172.2	0	0	0	112.2	V39 A40 S47	V39-L43 HydrophobicContact CG1-CD1 3.87Å; V39-L43 HydrophobicContact CG1-CG 4.31Å; V39-L43 WeakPolarHBondContact O-CB 3.49Å; V39-L43 VanDerWaalsContact O-CG 3.32Å; V39-L43 WeakPolarHBondContact O-CG 3.42Å; V39-L43 PolarHBondContact O-N 3.21Å; A40-L43 PolarHBondContact O-N 2.74Å; L43-S47 WeakPolarHBondContact O-CB 3.45Å; L43-S47 PolarHBondContact O-N 3.24Å; L43-S47 PolarHBondContact O-OG 3.19Å
44	A	78.7	Confident	75	Confident	49 Å²	49	95.3 Å²	95.3	41%	0.405	53%	0.529	S	S	.	.	H	α-helix	trans	-66.6	-42.5	174.6	0	0	0	0	0	111.7	A40 I41 S47 I48	A40-A44 VanDerWaalsContact O-CB 3.26Å; A40-A44 WeakPolarHBondContact O-CB 3.32Å; A40-A44 PolarHBondContact O-N 3.42Å; I41-A44 PolarHBondContact O-N 2.93Å; A44-S47 PolarHBondContact O-N 3.13Å; A44-I48 WeakPolarHBondContact O-CB 3.5Å; A44-I48 VanDerWaalsContact O-CG1 3.24Å; A44-I48 WeakPolarHBondContact O-CG1 3.45Å; A44-I48 PolarHBondContact O-N 3.19Å
45	S	80	Confident	75.9	Confident	63 Å²	63	94.2 Å²	94.2	44%	0.441	52%	0.515	S	S	.	.	H	α-helix	trans	-67.8	-39.5	178.8	67	0	0	0	0	112.3	I41 V42 I48 F49	I41-S45 WeakPolarHBondContact O-CB 3.34Å; I41-S45 PolarHBondContact O-N 3.04Å; I41-S45 PolarHBondContact O-OG 3.27Å; V42-S45 PolarHBondContact O-N 3.34Å; V42-S45 PolarHBondContact O-OG 3.45Å; S45-I48 PolarHBondContact O-N 3.47Å; S45-F49 WeakPolarHBondContact O-CB 3.32Å; S45-F49 PolarHBondContact O-N 2.9Å
46	V	82.7	Confident	76.5	Confident	79 Å²	79	92.3 Å²	92.3	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-64	-43.7	173.2	173.4	0	0	0	0	110.9	V42 I48 F49 V50	V42-V46 HydrophobicContact CG1-CG2 4.49Å; V42-V46 WeakPolarHBondContact O-CB 3.34Å; V42-V46 VanDerWaalsContact O-CG2 3.26Å; V42-V46 WeakPolarHBondContact O-CG2 3.45Å; V42-V46 PolarHBondContact O-N 2.97Å; V46-I48 PolarHBondContact O-N 3.39Å; V46-F49 PolarHBondContact O-N 3.1Å; V46-V50 HydrophobicContact CG1-CG2 4.39Å; V46-V50 VanDerWaalsContact O-CG2 3.31Å; V46-V50 WeakPolarHBondContact O-CG2 3.47Å; V46-V50 PolarHBondContact O-N 3.41Å
47	S	77.6	Confident	77.1	Confident	63 Å²	63	92 Å²	92	44%	0.441	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-43.9	178.1	-60.1	0	0	0	0	111.8	L43 A44 F49 V50 F51	L43-S47 WeakPolarHBondContact O-CB 3.45Å; L43-S47 PolarHBondContact O-N 3.24Å; L43-S47 PolarHBondContact O-OG 3.19Å; A44-S47 PolarHBondContact O-N 3.13Å; S47-F49 VanDerWaalsContact C-N 3.34Å; S47-F49 PolarHBondContact O-N 3.49Å; S47-V50 PolarHBondContact O-N 2.76Å; S47-F51 WeakPolarHBondContact O-CB 3.41Å; S47-F51 WeakPolarHBondContact O-CD2 3.35Å; S47-F51 PolarHBondContact O-N 2.85Å
48	I	83.3	Confident	77.3	Confident	103 Å²	103	88.6 Å²	88.6	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-62.1	-42.7	175.7	-69.4	165.4	0	0	0	110.6	A44 S45 V46 F51 I52	A44-I48 WeakPolarHBondContact O-CB 3.5Å; A44-I48 VanDerWaalsContact O-CG1 3.24Å; A44-I48 WeakPolarHBondContact O-CG1 3.45Å; A44-I48 PolarHBondContact O-N 3.19Å; S45-I48 PolarHBondContact O-N 3.47Å; V46-I48 PolarHBondContact O-N 3.39Å; I48-F51 PolarHBondContact O-N 3.04Å; I48-I52 HydrophobicContact CG2-CD1 3.64Å; I48-I52 HydrophobicContact CG2-CG1 4.28Å; I48-I52 WeakPolarHBondContact O-CB 3.29Å; I48-I52 VanDerWaalsContact O-CG1 3.26Å; I48-I52 WeakPolarHBondContact O-CG1 3.41Å; I48-I52 PolarHBondContact O-N 3.28Å
49	F	81.4	Confident	76.7	Confident	142 Å²	142	91.2 Å²	91.2	62%	0.623	50%	0.495	S	S	*	.	H	α-helix	trans	-66.6	-38.5	179.5	-154.8	-96.5	0	0	0	112.3	S45 V46 S47 N53	S45-F49 WeakPolarHBondContact O-CB 3.32Å; S45-F49 PolarHBondContact O-N 2.9Å; V46-F49 PolarHBondContact O-N 3.1Å; S47-F49 VanDerWaalsContact C-N 3.34Å; S47-F49 PolarHBondContact O-N 3.49Å; F49-N53 WeakPolarHBondContact CD1-ND2 3.31Å; F49-N53 WeakPolarHBondContact CE1-ND2 3.48Å; F49-N53 WeakPolarHBondContact O-CB 3.43Å; F49-N53 PolarHBondContact O-N 3.05Å; F49-N53 PolarHBondContact O-ND2 3.31Å
50	V	82.2	Confident	75.8	Confident	88 Å²	88	89.9 Å²	89.9	53%	0.533	49%	0.493	S	S	.	.	H	α-helix	trans	-65.5	-44.3	173.4	172.4	0	0	0	0	110.6	V46 S47 N53 Y54	V46-V50 HydrophobicContact CG1-CG2 4.39Å; V46-V50 VanDerWaalsContact O-CG2 3.31Å; V46-V50 WeakPolarHBondContact O-CG2 3.47Å; V46-V50 PolarHBondContact O-N 3.41Å; S47-V50 PolarHBondContact O-N 2.76Å; V50-N53 PolarHBondContact O-N 3.36Å; V50-Y54 VanDerWaalsContact O-CB 3.3Å; V50-Y54 WeakPolarHBondContact O-CB 3.33Å; V50-Y54 PolarHBondContact O-N 2.75Å
51	F	80	Confident	74.8	Confident	158 Å²	158	92 Å²	92	69%	0.693	50%	0.497	S	S	*	.	H	α-helix	trans	-63.6	-40.8	176.5	-97.2	-82.7	0	0	0	112.8	S47 I48 Y54 A55	S47-F51 WeakPolarHBondContact O-CB 3.41Å; S47-F51 WeakPolarHBondContact O-CD2 3.35Å; S47-F51 PolarHBondContact O-N 2.85Å; I48-F51 PolarHBondContact O-N 3.04Å; F51-Y54 PolarHBondContact O-N 2.89Å; F51-A55 WeakPolarHBondContact O-CB 3.04Å; F51-A55 PolarHBondContact O-N 2.9Å
52	I	82.4	Confident	73.6	Confident	95 Å²	95	92.1 Å²	92.1	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-43.8	176.6	-69.2	169.5	0	0	0	110.3	I48 A55 T56	I48-I52 HydrophobicContact CG2-CD1 3.64Å; I48-I52 HydrophobicContact CG2-CG1 4.28Å; I48-I52 WeakPolarHBondContact O-CB 3.29Å; I48-I52 VanDerWaalsContact O-CG1 3.26Å; I48-I52 WeakPolarHBondContact O-CG1 3.41Å; I48-I52 PolarHBondContact O-N 3.28Å; I52-A55 PolarHBondContact O-N 2.69Å; I52-T56 WeakPolarHBondContact O-CG2 3.09Å; I52-T56 PolarHBondContact O-N 3.35Å; I52-T56 PolarHBondContact O-OG1 3.46Å
53	N	77.1	Confident	72	Confident	70 Å²	70	92 Å²	92	37%	0.374	50%	0.504	S	S	.	.	H	α-helix	trans	-66.8	-38.9	176.6	-80.7	-72.9	0	0	0	112.6	F49 V50 T56 I57	F49-N53 WeakPolarHBondContact CD1-ND2 3.31Å; F49-N53 WeakPolarHBondContact CE1-ND2 3.48Å; F49-N53 WeakPolarHBondContact O-CB 3.43Å; F49-N53 PolarHBondContact O-N 3.05Å; F49-N53 PolarHBondContact O-ND2 3.31Å; V50-N53 PolarHBondContact O-N 3.36Å; N53-T56 WeakPolarHBondContact CA-OG1 3.45Å; N53-T56 PolarHBondContact O-N 3.36Å; N53-T56 PolarHBondContact O-OG1 3.24Å; N53-I57 WeakPolarHBondContact O-CB 3.27Å; N53-I57 WeakPolarHBondContact O-CD1 3.41Å; N53-I57 WeakPolarHBondContact O-CG1 3.11Å; N53-I57 PolarHBondContact O-N 2.68Å
54	Y	79.1	Confident	70.3	Confident	154 Å²	154	93.4 Å²	93.4	60%	0.604	51%	0.512	S	S	*	.	H	α-helix	trans	-66.8	-40.5	175.7	-153.8	-101	0	0	0	110.8	V50 F51 I57 I58	V50-Y54 VanDerWaalsContact O-CB 3.3Å; V50-Y54 WeakPolarHBondContact O-CB 3.33Å; V50-Y54 PolarHBondContact O-N 2.75Å; F51-Y54 PolarHBondContact O-N 2.89Å; Y54-I57 PolarHBondContact O-N 3.08Å; Y54-I58 HydrophobicContact CD1-CD1 3.47Å; Y54-I58 VanDerWaalsContact CD1-CD1 3.47Å; Y54-I58 HydrophobicContact CD1-CG1 4.24Å; Y54-I58 HydrophobicContact CE1-CD1 3.51Å; Y54-I58 HydrophobicContact CE1-CG1 4.3Å; Y54-I58 WeakPolarHBondContact O-CB 3.19Å; Y54-I58 VanDerWaalsContact O-CG1 3.23Å; Y54-I58 WeakPolarHBondContact O-CG1 3.36Å; Y54-I58 PolarHBondContact O-N 3.25Å
55	A	74	Confident	68.7	Low	39 Å²	39	96.2 Å²	96.2	32%	0.322	52%	0.524	S	S	.	.	H	α-helix	trans	-64.7	-43.9	173.9	0	0	0	0	0	111.8	F51 I52 I58 F59	F51-A55 WeakPolarHBondContact O-CB 3.04Å; F51-A55 PolarHBondContact O-N 2.9Å; I52-A55 PolarHBondContact O-N 2.69Å; A55-I58 PolarHBondContact O-N 2.85Å; A55-F59 HydrophobicContact CB-CD2 4.48Å; A55-F59 WeakPolarHBondContact O-CB 3.43Å; A55-F59 WeakPolarHBondContact O-CD2 3.35Å; A55-F59 PolarHBondContact O-N 3.31Å
56	T	72	Confident	67.3	Low	73 Å²	73	102 Å²	102	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-67.9	-35.3	177	49.6	0	0	0	0	112.4	I52 N53 F59 A60	I52-T56 WeakPolarHBondContact O-CG2 3.09Å; I52-T56 PolarHBondContact O-N 3.35Å; I52-T56 PolarHBondContact O-OG1 3.46Å; N53-T56 WeakPolarHBondContact CA-OG1 3.45Å; N53-T56 PolarHBondContact O-N 3.36Å; N53-T56 PolarHBondContact O-OG1 3.24Å; T56-F59 PolarHBondContact O-N 3.06Å; T56-A60 WeakPolarHBondContact O-CB 3.42Å; T56-A60 PolarHBondContact O-N 3.02Å
57	I	69.9	Low	66	Low	96 Å²	96	102.4 Å²	102.4	49%	0.492	54%	0.544	S	S	.	.	H	α-helix	trans	-65.5	-42.1	171.8	-69.9	166.5	0	0	0	110.5	N53 Y54 N61	N53-I57 WeakPolarHBondContact O-CB 3.27Å; N53-I57 WeakPolarHBondContact O-CD1 3.41Å; N53-I57 WeakPolarHBondContact O-CG1 3.11Å; N53-I57 PolarHBondContact O-N 2.68Å; Y54-I57 PolarHBondContact O-N 3.08Å; I57-N61 WeakPolarHBondContact CG2-ND2 3.28Å; I57-N61 VanDerWaalsContact O-CB 3.31Å; I57-N61 WeakPolarHBondContact O-CB 3.46Å; I57-N61 PolarHBondContact O-N 3.5Å; I57-N61 PolarHBondContact O-ND2 2.99Å
58	I	67.7	Low	65.2	Low	74 Å²	74	101.2 Å²	101.2	38%	0.379	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-46.9	174.7	-73	172.9	0	0	0	110.6	Y54 A55 A60 N61 I62	Y54-I58 HydrophobicContact CD1-CD1 3.47Å; Y54-I58 VanDerWaalsContact CD1-CD1 3.47Å; Y54-I58 HydrophobicContact CD1-CG1 4.24Å; Y54-I58 HydrophobicContact CE1-CD1 3.51Å; Y54-I58 HydrophobicContact CE1-CG1 4.3Å; Y54-I58 WeakPolarHBondContact O-CB 3.19Å; Y54-I58 VanDerWaalsContact O-CG1 3.23Å; Y54-I58 WeakPolarHBondContact O-CG1 3.36Å; Y54-I58 PolarHBondContact O-N 3.25Å; A55-I58 PolarHBondContact O-N 2.85Å; I58-A60 PolarHBondContact O-N 3.48Å; I58-N61 PolarHBondContact O-N 2.94Å; I58-I62 HydrophobicContact CG2-CD1 3.47Å; I58-I62 VanDerWaalsContact CG2-CD1 3.47Å; I58-I62 HydrophobicContact CG2-CG1 4.23Å; I58-I62 WeakPolarHBondContact O-CB 3.5Å; I58-I62 WeakPolarHBondContact O-CG1 3.48Å; I58-I62 PolarHBondContact O-N 3.26Å
59	F	59.4	Low	64.5	Low	147 Å²	147	100 Å²	100	65%	0.645	53%	0.534	S	S	*	.	H	α-helix	trans	-66.3	-37	178.9	-87.1	-72	0	0	0	112.4	A55 T56 I62 A63	A55-F59 HydrophobicContact CB-CD2 4.48Å; A55-F59 WeakPolarHBondContact O-CB 3.43Å; A55-F59 WeakPolarHBondContact O-CD2 3.35Å; A55-F59 PolarHBondContact O-N 3.31Å; T56-F59 PolarHBondContact O-N 3.06Å; F59-I62 PolarHBondContact O-N 3.4Å; F59-A63 VanDerWaalsContact O-CB 3.24Å; F59-A63 WeakPolarHBondContact O-CB 3.26Å; F59-A63 PolarHBondContact O-N 3.04Å
60	A	55.2	Low	64.1	Low	58 Å²	58	93.8 Å²	93.8	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-68.1	-38	174.1	0	0	0	0	0	111.7	T56 I58 L64	T56-A60 WeakPolarHBondContact O-CB 3.42Å; T56-A60 PolarHBondContact O-N 3.02Å; I58-A60 PolarHBondContact O-N 3.48Å; A60-L64 PolarHBondContact O-N 3.15Å
61	N	51.9	Low	63.5	Low	99 Å²	99	93.7 Å²	93.7	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-71.5	-33.8	173.6	-78.2	-58.5	0	0	0	112.4	I57 I58 L64 V65	I57-N61 WeakPolarHBondContact CG2-ND2 3.28Å; I57-N61 VanDerWaalsContact O-CB 3.31Å; I57-N61 WeakPolarHBondContact O-CB 3.46Å; I57-N61 PolarHBondContact O-N 3.5Å; I57-N61 PolarHBondContact O-ND2 2.99Å; I58-N61 PolarHBondContact O-N 2.94Å; N61-L64 PolarHBondContact O-N 2.94Å; N61-V65 WeakPolarHBondContact O-CG2 3.48Å
62	I	51.7	Low	63.1	Low	97 Å²	97	91.9 Å²	91.9	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-72.2	-36.3	174.7	-68.8	169.4	0	0	0	110.9	I58 F59 L64 V65	I58-I62 HydrophobicContact CG2-CD1 3.47Å; I58-I62 VanDerWaalsContact CG2-CD1 3.47Å; I58-I62 HydrophobicContact CG2-CG1 4.23Å; I58-I62 WeakPolarHBondContact O-CB 3.5Å; I58-I62 WeakPolarHBondContact O-CG1 3.48Å; I58-I62 PolarHBondContact O-N 3.26Å; F59-I62 PolarHBondContact O-N 3.4Å; I62-L64 VanDerWaalsContact C-N 3.27Å; I62-L64 PolarHBondContact O-N 3.42Å; I62-V65 PolarHBondContact O-N 3.32Å
63	A	47	Very low	62.6	Low	75 Å²	75	90.4 Å²	90.4	62%	0.62	52%	0.515	S	S	*	.	H	α-helix	trans	-69.4	-22.3	176.1	0	0	0	0	0	113.2	F59 V65	F59-A63 VanDerWaalsContact O-CB 3.24Å; F59-A63 WeakPolarHBondContact O-CB 3.26Å; F59-A63 PolarHBondContact O-N 3.04Å; A63-V65 VanDerWaalsContact C-N 3.31Å
64	L	42.3	Very low	62.6	Low	139 Å²	139	87.5 Å²	87.5	73%	0.728	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.3	173.6	-120.7	95.3	0	0	0	114.1	A60 N61 I62	A60-L64 PolarHBondContact O-N 3.15Å; N61-L64 PolarHBondContact O-N 2.94Å; I62-L64 VanDerWaalsContact C-N 3.27Å; I62-L64 PolarHBondContact O-N 3.42Å
65	V	45.6	Very low	62.7	Low	108 Å²	108	83.5 Å²	83.5	66%	0.655	49%	0.493	S	S	*	.			trans	-102.2	33.4	-172.7	179.9	0	0	0	0	112.2	N61 I62 A63	N61-V65 WeakPolarHBondContact O-CG2 3.48Å; I62-V65 PolarHBondContact O-N 3.32Å; A63-V65 VanDerWaalsContact C-N 3.31Å
66	Y	50.9	Low	62.9	Low	184 Å²	184	84 Å²	84	72%	0.722	50%	0.497	S	S	*	.			trans	-114.6	26.9	163.2	-74.5	-78.9	0	0	0	112	V68	Y66-V68 PolarHBondContact O-N 3.29Å
67	S	55	Low	63.4	Low	89 Å²	89	87 Å²	87	62%	0.622	51%	0.51	S	S	*	.			trans	-79.2	120.8	174.9	48.3	0	0	0	0	110.2	S69	S67-S69 PolarHBondContact O-N 2.68Å
68	V	60.1	Low	64.1	Low	37 Å²	37	86.9 Å²	86.9	22%	0.224	51%	0.507	C	S	.	.			trans	-59	119.2	163	172.9	0	0	0	0	107.1	Y66 A76 L79 S137	Y66-V68 PolarHBondContact O-N 3.29Å; V68-A76 HydrophobicContact CB-CB 4.4Å; V68-A76 HydrophobicContact CG2-CB 3.89Å; V68-L79 HydrophobicContact CB-CD2 4.48Å; V68-L79 HydrophobicContact CG1-CD2 3.47Å; V68-L79 VanDerWaalsContact CG1-CD2 3.47Å; V68-L79 HydrophobicContact CG2-CD2 4.12Å; V68-S137 WeakPolarHBondContact CA-O 3.41Å
69	S	68.8	Low	64.9	Low	78 Å²	78	83.4 Å²	83.4	55%	0.545	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-110.2	103.3	175.4	-174.1	0	0	0	0	108.7	S67 C136 S137	S67-S69 PolarHBondContact O-N 2.68Å; S69-C136 CarbonylContact O-C 3.51Å; S69-C136 WeakPolarHBondContact O-CA 3.14Å; S69-S137 PolarHBondContact N-O 3.29Å; S69-S137 PolarHBondContact O-N 3.15Å
70	C	74	Confident	66.1	Low	11 Å²	11	78.7 Å²	78.7	7%	0.074	48%	0.475	C	S	.	.			trans	-106.1	135.9	171.7	-65.2	0	0	0	0	108.4	N72 G73 A74 C136	C70-N72 PolarHBondContact O-N 3.28Å; C70-G73 PolarHBondContact O-N 3.44Å; C70-A74 HydrophobicContact CB-CB 3.93Å; C70-C136 HydrophobicContact CB-CB 4.15Å; C70-C136 WeakPolarHBondContact CB-SG 3.35Å; C70-C136 WeakPolarHBondContact SG-CB 3.34Å; C70-C136 CovalentContact SG-SG 2.03Å; C70-C136 PolarHBondContact SG-SG 3.03Å
71	P	68.9	Low	67.6	Low	86 Å²	86	78.9 Å²	78.9	56%	0.558	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-19	-177.2	18.8	-30	0	0	0	114.3	L135	P71-L135 HydrophobicContact CG-CB 3.74Å; P71-L135 HydrophobicContact CG-CD1 4.21Å
72	N	71.1	Confident	69.3	Low	120 Å²	120	74.8 Å²	74.8	64%	0.642	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	9.7	-179.5	-59.6	-11.9	0	0	0	113.7	C70 A74 F131	C70-N72 PolarHBondContact O-N 3.28Å; N72-A74 VanDerWaalsContact C-N 3.31Å; N72-A74 PolarHBondContact O-N 2.85Å; N72-F131 HydrophobicContact CB-CB 4.37Å
73	G	72	Confident	71.1	Confident	64 Å²	64	70.2 Å²	70.2	66%	0.66	43%	0.432	S	S	*	.			trans	72.2	18.5	179.9	0	0	0	0	0	115.1	C70	C70-G73 PolarHBondContact O-N 3.44Å
74	A	77	Confident	73.2	Confident	9 Å²	9	72.8 Å²	72.8	7%	0.074	43%	0.431	C	S	.	.			trans	-62.7	139.9	179.5	0	0	0	0	0	112	C70 N72 Q78 F131	C70-A74 HydrophobicContact CB-CB 3.93Å; N72-A74 VanDerWaalsContact C-N 3.31Å; N72-A74 PolarHBondContact O-N 2.85Å; A74-Q78 VanDerWaalsContact CA-OE1 3.3Å; A74-F131 HydrophobicContact CB-CD1 3.86Å; A74-F131 HydrophobicContact CB-CD2 4.01Å; A74-F131 HydrophobicContact CB-CE1 3.54Å; A74-F131 HydrophobicContact CB-CE2 3.66Å; A74-F131 HydrophobicContact CB-CG 4.11Å; A74-F131 HydrophobicContact CB-CZ 3.43Å; A74-F131 VanDerWaalsContact CB-CZ 3.43Å
75	T	81.7	Confident	75.5	Confident	71 Å²	71	68 Å²	68	44%	0.436	41%	0.409	S	S	.	.			trans	-77.7	159.7	179.4	68.4	0	0	0	0	111.6	D77 Q78 L79	T75-D77 PolarHBondContact O-N 3.26Å; T75-Q78 PolarHBondContact O-N 2.75Å; T75-Q78 VanDerWaalsContact O-N 3.16Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.42Å; T75-Q78 PolarHBondContact OG1-N 2.97Å; T75-L79 PolarHBondContact O-N 2.04Å
76	A	78.6	Confident	77.6	Confident	49 Å²	49	62.9 Å²	62.9	41%	0.405	38%	0.377	S	S	.	.	H	α-helix	trans	-58.5	-32.7	175.3	0	0	0	0	0	112.7	V68 L79 S80	V68-A76 HydrophobicContact CB-CB 4.4Å; V68-A76 HydrophobicContact CG2-CB 3.89Å; A76-L79 PolarHBondContact O-N 2.89Å; A76-S80 WeakPolarHBondContact O-CB 2.88Å; A76-S80 PolarHBondContact O-N 3.45Å; A76-S80 PolarHBondContact O-OG 3.13Å
77	D	82.6	Confident	79.4	Confident	135 Å²	135	56.8 Å²	56.8	72%	0.722	36%	0.356	S	S	*	.	H	α-helix	trans	-68.6	-42.8	176.3	-61.6	-33.1	0	0	0	111.7	T75 L79 S80 A81	T75-D77 PolarHBondContact O-N 3.26Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.34Å; D77-S80 PolarHBondContact O-N 2.94Å; D77-A81 WeakPolarHBondContact O-CB 3.31Å; D77-A81 PolarHBondContact O-N 3.42Å
78	Q	83.8	Confident	81.1	Confident	94 Å²	94	56.4 Å²	56.4	44%	0.439	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-42.8	174.9	-73.6	174.8	-24	0	0	111.3	A74 T75 C82 F131	A74-Q78 VanDerWaalsContact CA-OE1 3.3Å; T75-Q78 PolarHBondContact O-N 2.75Å; T75-Q78 VanDerWaalsContact O-N 3.16Å; T75-Q78 WeakPolarHBondContact OG1-CG 3.42Å; T75-Q78 PolarHBondContact OG1-N 2.97Å; Q78-C82 VanDerWaalsContact O-CB 3.25Å; Q78-C82 WeakPolarHBondContact O-CB 3.01Å; Q78-C82 PolarHBondContact O-N 3.25Å; Q78-C82 PolarHBondContact O-SG 3.36Å; Q78-F131 HydrophobicContact CB-CE1 4.07Å; Q78-F131 HydrophobicContact CB-CZ 4.22Å
79	L	84.3	Confident	82.6	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-42.4	175.1	178.9	61.8	0	0	0	111.8	V68 T75 A76 D77 C82 L83 F131 Y133 C136 V143	V68-L79 HydrophobicContact CB-CD2 4.48Å; V68-L79 HydrophobicContact CG1-CD2 3.47Å; V68-L79 VanDerWaalsContact CG1-CD2 3.47Å; V68-L79 HydrophobicContact CG2-CD2 4.12Å; T75-L79 PolarHBondContact O-N 2.04Å; A76-L79 PolarHBondContact O-N 2.89Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 PolarHBondContact O-N 3.34Å; L79-C82 VanDerWaalsContact O-CB 3.26Å; L79-C82 WeakPolarHBondContact O-CB 3.02Å; L79-C82 PolarHBondContact O-N 2.86Å; L79-L83 HydrophobicContact CD1-CD1 3.81Å; L79-L83 HydrophobicContact CD1-CG 4.25Å; L79-L83 HydrophobicContact CG-CD1 3.86Å; L79-L83 WeakPolarHBondContact O-CD1 3.44Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 3.24Å; L79-F131 HydrophobicContact CD1-CE2 4.44Å; L79-Y133 HydrophobicContact CD1-CG 4.39Å; L79-C136 HydrophobicContact CD1-CB 4.49Å; L79-C136 HydrophobicContact CD2-CB 4.4Å; L79-V143 HydrophobicContact CD1-CG2 4.19Å; L79-V143 HydrophobicContact CD2-CG2 4.06Å; L79-V143 HydrophobicContact CG-CG2 4.38Å
80	S	84.7	Confident	83.4	Confident	48 Å²	48	52 Å²	52	34%	0.336	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-44.3	-179.9	-59.6	0	0	0	0	111.9	A76 D77 C82 L83 E84	A76-S80 WeakPolarHBondContact O-CB 2.88Å; A76-S80 PolarHBondContact O-N 3.45Å; A76-S80 PolarHBondContact O-OG 3.13Å; D77-S80 PolarHBondContact O-N 2.94Å; S80-C82 VanDerWaalsContact C-N 3.27Å; S80-C82 PolarHBondContact O-N 3.4Å; S80-L83 PolarHBondContact O-N 3.2Å; S80-L83 VanDerWaalsContact O-N 3.12Å; S80-E84 PolarHBondContact O-N 2.91Å
81	A	87.1	Confident	84	Confident	62 Å²	62	55.1 Å²	55.1	51%	0.512	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-39.8	173.8	0	0	0	0	0	111.8	D77 L83 E84	D77-A81 WeakPolarHBondContact O-CB 3.31Å; D77-A81 PolarHBondContact O-N 3.42Å; A81-L83 VanDerWaalsContact C-N 3.33Å; A81-L83 PolarHBondContact O-N 2.96Å; A81-E84 WeakPolarHBondContact O-CB 3.29Å; A81-E84 PolarHBondContact O-N 3.27Å
82	C	88.7	Confident	85	Confident	13 Å²	13	57 Å²	57	9%	0.088	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-40.6	174.1	-96.1	0	0	0	0	113.5	Q78 L79 S80 P85 S125 C129 Y133	Q78-C82 VanDerWaalsContact O-CB 3.25Å; Q78-C82 WeakPolarHBondContact O-CB 3.01Å; Q78-C82 PolarHBondContact O-N 3.25Å; Q78-C82 PolarHBondContact O-SG 3.36Å; L79-C82 VanDerWaalsContact O-CB 3.26Å; L79-C82 WeakPolarHBondContact O-CB 3.02Å; L79-C82 PolarHBondContact O-N 2.86Å; S80-C82 VanDerWaalsContact C-N 3.27Å; S80-C82 PolarHBondContact O-N 3.4Å; C82-P85 WeakPolarHBondContact O-CD 3.36Å; C82-S125 VanDerWaalsContact O-CB 3.27Å; C82-S125 WeakPolarHBondContact O-CB 3.33Å; C82-S125 PolarHBondContact O-OG 2.86Å; C82-C129 WeakPolarHBondContact CA-SG 3.36Å; C82-C129 HydrophobicContact CB-CB 4.26Å; C82-C129 WeakPolarHBondContact CB-SG 3.31Å; C82-C129 VanDerWaalsContact SG-CA 3.56Å; C82-C129 WeakPolarHBondContact SG-CB 3.39Å; C82-C129 CovalentContact SG-SG 2.01Å; C82-C129 PolarHBondContact SG-SG 3.26Å; C82-Y133 HydrophobicContact CB-CD1 4.33Å
83	L	88.8	Confident	85.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-87.7	-12.7	-175.3	-67.3	167.1	0	0	0	113.7	L79 S80 A81 P85 V86 Q87 Y133 T142 V143 V146	L79-L83 HydrophobicContact CD1-CD1 3.81Å; L79-L83 HydrophobicContact CD1-CG 4.25Å; L79-L83 HydrophobicContact CG-CD1 3.86Å; L79-L83 WeakPolarHBondContact O-CD1 3.44Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 3.24Å; S80-L83 PolarHBondContact O-N 3.2Å; S80-L83 VanDerWaalsContact O-N 3.12Å; A81-L83 VanDerWaalsContact C-N 3.33Å; A81-L83 PolarHBondContact O-N 2.96Å; L83-P85 VanDerWaalsContact C-N 3.33Å; L83-V86 WeakPolarHBondContact O-CA 3.27Å; L83-V86 WeakPolarHBondContact O-CB 3.49Å; L83-V86 PolarHBondContact O-N 2.93Å; L83-Q87 HydrophobicContact CB-CG 4.31Å; L83-Q87 WeakPolarHBondContact O-CG 3.23Å; L83-Q87 PolarHBondContact O-N 3.48Å; L83-Y133 HydrophobicContact CD2-CD2 3.85Å; L83-Y133 HydrophobicContact CD2-CE2 3.69Å; L83-T142 HydrophobicContact CB-CG2 4.34Å; L83-T142 HydrophobicContact CD2-CG2 4.21Å; L83-V143 HydrophobicContact CD1-CG2 3.38Å; L83-V146 HydrophobicContact CD2-CG2 4.37Å
84	E	89.9	Confident	86.4	Confident	129 Å²	129	51.5 Å²	51.5	60%	0.603	29%	0.288	S	S	*	.	H	α-helix	trans	-46.8	-45.8	-177.4	-171.1	-171.5	173.5	0	0	113.6	S80 A81 V86 Q87 D88	S80-E84 PolarHBondContact O-N 2.91Å; A81-E84 WeakPolarHBondContact O-CB 3.29Å; A81-E84 PolarHBondContact O-N 3.27Å; E84-V86 VanDerWaalsContact C-N 3.27Å; E84-V86 PolarHBondContact O-N 3.01Å; E84-Q87 PolarHBondContact O-N 3.29Å; E84-D88 PolarHBondContact O-N 3.4Å
85	P	90.6	Very high	86.8	Confident	39 Å²	39	60.6 Å²	60.6	25%	0.253	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-36	179.2	-22.3	34.4	0	0	0	113.1	C82 L83 A121	C82-P85 WeakPolarHBondContact O-CD 3.36Å; L83-P85 VanDerWaalsContact C-N 3.33Å; P85-A121 HydrophobicContact CB-CB 4.4Å; P85-A121 WeakPolarHBondContact O-CB 3.42Å
86	V	90.4	Very high	86.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-75	-45.4	178.5	-178.9	0	0	0	0	109.4	L83 E84 D88 V89 V90 L118 A121 T142 L150	L83-V86 WeakPolarHBondContact O-CA 3.27Å; L83-V86 WeakPolarHBondContact O-CB 3.49Å; L83-V86 PolarHBondContact O-N 2.93Å; E84-V86 VanDerWaalsContact C-N 3.27Å; E84-V86 PolarHBondContact O-N 3.01Å; V86-D88 VanDerWaalsContact C-N 3.32Å; V86-D88 PolarHBondContact O-N 3.24Å; V86-V89 PolarHBondContact O-N 3.45Å; V86-V90 HydrophobicContact CG1-CG2 4.02Å; V86-V90 WeakPolarHBondContact O-CB 3.5Å; V86-V90 WeakPolarHBondContact O-CG2 3.49Å; V86-V90 PolarHBondContact O-N 2.88Å; V86-L118 HydrophobicContact CG1-CD1 3.96Å; V86-A121 HydrophobicContact CG2-CB 4.43Å; V86-T142 HydrophobicContact CB-CG2 4.1Å; V86-T142 HydrophobicContact CG1-CG2 3.72Å; V86-L150 HydrophobicContact CG1-CD1 3.91Å
87	Q	89.1	Confident	87.1	Confident	57 Å²	57	66.8 Å²	66.8	27%	0.266	33%	0.328	S	S	.	.	H	α-helix	trans	-57.6	-41.8	179	-73.3	-178.4	-23.3	0	0	112.7	L83 E84 V90 S91 N140 T142	L83-Q87 HydrophobicContact CB-CG 4.31Å; L83-Q87 WeakPolarHBondContact O-CG 3.23Å; L83-Q87 PolarHBondContact O-N 3.48Å; E84-Q87 PolarHBondContact O-N 3.29Å; Q87-V90 PolarHBondContact O-N 3.33Å; Q87-S91 VanDerWaalsContact O-CB 3.27Å; Q87-S91 WeakPolarHBondContact O-CB 3.42Å; Q87-S91 PolarHBondContact O-N 2.88Å; Q87-S91 PolarHBondContact O-OG 2.88Å; Q87-N140 PolarHBondContact NE2-ND2 3.17Å; Q87-T142 HydrophobicContact CG-CG2 3.77Å; Q87-T142 VanDerWaalsContact CG-OG1 3.32Å; Q87-T142 WeakPolarHBondContact CG-OG1 3.34Å; Q87-T142 PolarHBondContact NE2-OG1 3.24Å
88	D	90.4	Very high	87	Confident	81 Å²	81	68.8 Å²	68.8	43%	0.433	33%	0.33	S	S	.	.	H	α-helix	trans	-62.6	-47.5	177.7	173	59.8	0	0	0	112	E84 V86 S91 R92	E84-D88 PolarHBondContact O-N 3.4Å; V86-D88 VanDerWaalsContact C-N 3.32Å; V86-D88 PolarHBondContact O-N 3.24Å; D88-S91 PolarHBondContact O-N 2.04Å; D88-R92 WeakPolarHBondContact O-CG 3.45Å; D88-R92 PolarHBondContact O-N 2.57Å; D88-R92 IonicContact OD1-NE 3.21Å; D88-R92 IonicContact OD2-CZ 3.16Å; D88-R92 IonicContact OD2-NE 2.68Å; D88-R92 PolarHBondContact OD2-NE 3.43Å; D88-R92 IonicContact OD2-NH2 3.16Å; D88-R92 PolarHBondContact OD2-NH2 2.91Å
89	V	90.9	Very high	86.4	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-65	-44.2	177.9	177.9	0	0	0	0	110.9	V86 S91 R92 I93 Q117 L118 A121	V86-V89 PolarHBondContact O-N 3.45Å; V89-S91 VanDerWaalsContact C-N 3.33Å; V89-S91 PolarHBondContact O-N 3.37Å; V89-R92 PolarHBondContact O-N 2.77Å; V89-I93 HydrophobicContact CG1-CD1 3.81Å; V89-I93 HydrophobicContact CG1-CG1 4.46Å; V89-I93 WeakPolarHBondContact O-CG1 3.23Å; V89-I93 PolarHBondContact O-N 3.3Å; V89-Q117 HydrophobicContact CG1-CB 4.32Å; V89-L118 HydrophobicContact CB-CD1 4.21Å; V89-L118 HydrophobicContact CG1-CB 4.16Å; V89-L118 HydrophobicContact CG1-CD1 3.99Å; V89-A121 HydrophobicContact CB-CB 4.42Å; V89-A121 HydrophobicContact CG2-CB 3.77Å
90	V	87.5	Confident	86.1	Confident	18 Å²	18	68.4 Å²	68.4	11%	0.109	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-45.1	177.6	170.7	0	0	0	0	110.5	V86 Q87 R92 I93 H94 L118 L145	V86-V90 HydrophobicContact CG1-CG2 4.02Å; V86-V90 WeakPolarHBondContact O-CB 3.5Å; V86-V90 WeakPolarHBondContact O-CG2 3.49Å; V86-V90 PolarHBondContact O-N 2.88Å; Q87-V90 PolarHBondContact O-N 3.33Å; V90-R92 PolarHBondContact O-N 3.36Å; V90-I93 PolarHBondContact O-N 2.87Å; V90-H94 WeakPolarHBondContact CG1-CE1 3.43Å; V90-H94 VanDerWaalsContact CG1-ND1 3.26Å; V90-H94 WeakPolarHBondContact CG1-ND1 3.5Å; V90-H94 WeakPolarHBondContact O-CB 3.41Å; V90-H94 PolarHBondContact O-N 2.98Å; V90-H94 PolarHBondContact O-ND1 3.41Å; V90-L118 HydrophobicContact CG2-CD1 3.6Å; V90-L145 HydrophobicContact CG1-CD2 4.49Å; V90-L145 HydrophobicContact CG2-CD2 3.7Å
91	S	86.3	Confident	85.6	Confident	76 Å²	76	72.9 Å²	72.9	53%	0.531	35%	0.347	S	S	.	.	H	α-helix	trans	-62.7	-42.7	179.3	-62	0	0	0	0	111.9	Q87 D88 V89 I93 H94 Y95	Q87-S91 VanDerWaalsContact O-CB 3.27Å; Q87-S91 WeakPolarHBondContact O-CB 3.42Å; Q87-S91 PolarHBondContact O-N 2.88Å; Q87-S91 PolarHBondContact O-OG 2.88Å; D88-S91 PolarHBondContact O-N 2.04Å; V89-S91 VanDerWaalsContact C-N 3.33Å; V89-S91 PolarHBondContact O-N 3.37Å; S91-I93 VanDerWaalsContact C-N 3.35Å; S91-I93 PolarHBondContact O-N 3.18Å; S91-H94 PolarHBondContact O-N 3.36Å; S91-Y95 PolarHBondContact O-N 3.07Å
92	R	89.1	Confident	85.1	Confident	127 Å²	127	74.9 Å²	74.9	48%	0.479	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-39.4	175.1	-74.2	-172.9	-74.1	175.6	-4.6	112.8	D88 V89 V90	D88-R92 WeakPolarHBondContact O-CG 3.45Å; D88-R92 PolarHBondContact O-N 2.57Å; D88-R92 IonicContact OD1-NE 3.21Å; D88-R92 IonicContact OD2-CZ 3.16Å; D88-R92 IonicContact OD2-NE 2.68Å; D88-R92 PolarHBondContact OD2-NE 3.43Å; D88-R92 IonicContact OD2-NH2 3.16Å; D88-R92 PolarHBondContact OD2-NH2 2.91Å; V89-R92 PolarHBondContact O-N 2.77Å; V90-R92 PolarHBondContact O-N 3.36Å
93	I	87.1	Confident	84.8	Confident	11 Å²	11	74.4 Å²	74.4	6%	0.056	34%	0.339	C	S	.	.	H	α-helix	trans	-67.9	-46	176.1	-71.8	170.1	0	0	0	110.7	V89 V90 S91 Y95 R96 K97 I100 L110 E114	V89-I93 HydrophobicContact CG1-CD1 3.81Å; V89-I93 HydrophobicContact CG1-CG1 4.46Å; V89-I93 WeakPolarHBondContact O-CG1 3.23Å; V89-I93 PolarHBondContact O-N 3.3Å; V90-I93 PolarHBondContact O-N 2.87Å; S91-I93 VanDerWaalsContact C-N 3.35Å; S91-I93 PolarHBondContact O-N 3.18Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 3.18Å; I93-R96 PolarHBondContact O-N 3.11Å; I93-K97 PolarHBondContact O-N 3.23Å; I93-I100 HydrophobicContact CG2-CD1 3.35Å; I93-L110 HydrophobicContact CD1-CD2 4.19Å; I93-L110 HydrophobicContact CG2-CD2 3.59Å; I93-E114 HydrophobicContact CD1-CB 4.18Å
94	H	84.9	Confident	84.5	Confident	56 Å²	56	74.5 Å²	74.5	26%	0.259	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-39.7	-180	-84	75.6	0	0	0	112.4	V90 S91 R96 K97 K98	V90-H94 WeakPolarHBondContact CG1-CE1 3.43Å; V90-H94 VanDerWaalsContact CG1-ND1 3.26Å; V90-H94 WeakPolarHBondContact CG1-ND1 3.5Å; V90-H94 WeakPolarHBondContact O-CB 3.41Å; V90-H94 PolarHBondContact O-N 2.98Å; V90-H94 PolarHBondContact O-ND1 3.41Å; S91-H94 PolarHBondContact O-N 3.36Å; H94-R96 PolarHBondContact O-N 3.41Å; H94-K97 CarbonylContact O-C 3.54Å; H94-K97 PolarHBondContact O-N 3.44Å; H94-K98 PolarHBondContact O-N 3.01Å
95	Y	85.3	Confident	84.1	Confident	201 Å²	201	68.4 Å²	68.4	79%	0.788	31%	0.311	S	S	*	.	H	α-helix	trans	-56.2	-37.9	175	-177.9	-97.1	0	0	0	112.2	S91 I93	S91-Y95 PolarHBondContact O-N 3.07Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 3.18Å
96	R	85.7	Confident	83.7	Confident	194 Å²	194	67.2 Å²	67.2	73%	0.732	30%	0.303	S	S	*	.	H	α-helix	trans	-85.3	-31.9	179.8	-64.2	-179.7	-177.8	174.6	0.9	113.4	I93 H94	I93-R96 PolarHBondContact O-N 3.11Å; H94-R96 PolarHBondContact O-N 3.41Å
97	K	82.9	Confident	83.4	Confident	55 Å²	55	67.8 Å²	67.8	24%	0.239	31%	0.306	C	S	.	.			trans	-133.4	79.8	-171	-71.6	-179.1	176.4	177.8	0	111.3	I93 H94 T99 I100 F109 E114	I93-K97 PolarHBondContact O-N 3.23Å; H94-K97 CarbonylContact O-C 3.54Å; H94-K97 PolarHBondContact O-N 3.44Å; K97-T99 PolarHBondContact O-N 3.16Å; K97-T99 VanDerWaalsContact O-N 3.11Å; K97-I100 HydrophobicContact CB-CD1 3.48Å; K97-I100 VanDerWaalsContact CB-CD1 3.48Å; K97-I100 HydrophobicContact CB-CG1 3.93Å; K97-I100 HydrophobicContact CD-CD1 3.74Å; K97-I100 HydrophobicContact CG-CD1 4.28Å; K97-I100 WeakPolarHBondContact O-CB 3.31Å; K97-I100 PolarHBondContact O-N 3.42Å; K97-I100 VanDerWaalsContact O-N 3.12Å; K97-F109 PolarHBondContact NZ-O 3.37Å; K97-E114 WeakPolarHBondContact CE-OE1 3.26Å; K97-E114 VanDerWaalsContact NZ-CD 3.34Å; K97-E114 IonicContact NZ-OE1 3.92Å; K97-E114 PolarHBondContact NZ-OE1 3.34Å; K97-E114 VanDerWaalsContact NZ-OE1 3.16Å; K97-E114 IonicContact NZ-OE2 3.82Å; K97-E114 PolarHBondContact NZ-OE2 2.89Å
98	K	78.5	Confident	83.1	Confident	178 Å²	178	66.1 Å²	66.1	77%	0.774	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-56.2	-29.4	-178.4	-65.5	-174.2	178.5	-176.9	0	114.3	H94 I100 K101	H94-K98 PolarHBondContact O-N 3.01Å; K98-I100 PolarHBondContact O-N 3.29Å; K98-K101 PolarHBondContact O-N 3.42Å
99	T	73.1	Confident	82.7	Confident	79 Å²	79	64.1 Å²	64.1	49%	0.485	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-64.2	-21.7	-179.7	49.9	0	0	0	0	113.7	K97 K101 R102 A103	K97-T99 PolarHBondContact O-N 3.16Å; K97-T99 VanDerWaalsContact O-N 3.11Å; T99-K101 VanDerWaalsContact C-N 3.25Å; T99-K101 PolarHBondContact O-N 3.43Å; T99-R102 PolarHBondContact O-N 2.96Å; T99-A103 PolarHBondContact O-N 3.22Å
100	I	77.4	Confident	82.5	Confident	8 Å²	8	64.1 Å²	64.1	4%	0.041	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-64.3	-31.9	-178.2	-69.3	174.7	0	0	0	111.9	I93 K97 K98 R102 A103 P106 F109 L110	I93-I100 HydrophobicContact CG2-CD1 3.35Å; K97-I100 HydrophobicContact CB-CD1 3.48Å; K97-I100 VanDerWaalsContact CB-CD1 3.48Å; K97-I100 HydrophobicContact CB-CG1 3.93Å; K97-I100 HydrophobicContact CD-CD1 3.74Å; K97-I100 HydrophobicContact CG-CD1 4.28Å; K97-I100 WeakPolarHBondContact O-CB 3.31Å; K97-I100 PolarHBondContact O-N 3.42Å; K97-I100 VanDerWaalsContact O-N 3.12Å; K98-I100 PolarHBondContact O-N 3.29Å; I100-R102 PolarHBondContact O-N 3.24Å; I100-R102 VanDerWaalsContact O-N 3.15Å; I100-A103 WeakPolarHBondContact O-CB 3.43Å; I100-A103 PolarHBondContact O-N 2.89Å; I100-P106 HydrophobicContact CG2-CB 3.93Å; I100-P106 HydrophobicContact CG2-CG 4.44Å; I100-F109 HydrophobicContact CG1-CB 4.1Å; I100-L110 HydrophobicContact CD1-CD2 3.52Å
101	K	74	Confident	82.4	Confident	142 Å²	142	66.2 Å²	66.2	62%	0.617	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-59.2	-30.4	179.5	-165.9	177.9	178.3	-175.6	0	112.6	K98 T99	K98-K101 PolarHBondContact O-N 3.42Å; T99-K101 VanDerWaalsContact C-N 3.25Å; T99-K101 PolarHBondContact O-N 3.43Å
102	R	77.3	Confident	82.3	Confident	104 Å²	104	66.4 Å²	66.4	39%	0.392	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-98.2	-1.9	179.7	-66	-179.2	64	162.7	4.2	113	T99 I100 L180 R181 K182 D184	T99-R102 PolarHBondContact O-N 2.96Å; I100-R102 PolarHBondContact O-N 3.24Å; I100-R102 VanDerWaalsContact O-N 3.15Å; R102-L180 CarbonylContact O-C 3.32Å; R102-L180 WeakPolarHBondContact O-CA 3.21Å; R102-R181 PolarHBondContact NE-O 3.12Å; R102-R181 PolarHBondContact NH2-O 3.25Å; R102-R181 WeakPolarHBondContact O-CG 3.26Å; R102-R181 PolarHBondContact O-N 3.33Å; R102-K182 PolarHBondContact NH2-O 2.78Å; R102-D184 VanDerWaalsContact CD-OD1 3.25Å; R102-D184 WeakPolarHBondContact CD-OD1 3.44Å; R102-D184 WeakPolarHBondContact CG-OD1 3.25Å; R102-D184 IonicContact NE-OD1 2.76Å
103	A	80.8	Confident	82.2	Confident	4 Å²	4	62.1 Å²	62.1	3%	0.033	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-77.9	129.1	-177.1	0	0	0	0	0	110.6	T99 I100 L105 P106 F109 L179	T99-A103 PolarHBondContact O-N 3.22Å; I100-A103 WeakPolarHBondContact O-CB 3.43Å; I100-A103 PolarHBondContact O-N 2.89Å; A103-L105 VanDerWaalsContact C-N 3.32Å; A103-P106 HydrophobicContact CB-CG 4.3Å; A103-P106 WeakPolarHBondContact O-CD 3.28Å; A103-F109 HydrophobicContact CB-CD2 3.65Å; A103-F109 HydrophobicContact CB-CE2 3.56Å; A103-F109 HydrophobicContact CB-CZ 4.46Å; A103-L179 CarbonylContact C-O 3.45Å; A103-L179 WeakPolarHBondContact CA-O 3.5Å
104	I	82.5	Confident	82.3	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	29%	0.285	C	S	.	.	S	Bend	trans	-65.8	-40.4	172.8	-59.6	171.2	0	0	0	109.9	P106 L179 R181 D193 L197 Y227	I104-P106 WeakPolarHBondContact O-CD 3.42Å; I104-L179 PolarHBondContact N-O 3.21Å; I104-R181 HydrophobicContact CD1-CG 4.43Å; I104-R181 HydrophobicContact CG1-CG 3.64Å; I104-D193 HydrophobicContact CD1-CB 4.26Å; I104-D193 HydrophobicContact CG2-CB 4.23Å; I104-L197 HydrophobicContact CG2-CD1 3.93Å; I104-L197 HydrophobicContact CG2-CD2 3.89Å; I104-L197 HydrophobicContact CG2-CG 3.89Å; I104-Y227 HydrophobicContact CG2-CD2 4.41Å; I104-Y227 HydrophobicContact CG2-CE1 4.08Å; I104-Y227 HydrophobicContact CG2-CE2 3.77Å; I104-Y227 WeakPolarHBondContact O-CE2 3.37Å
105	L	82.8	Confident	82.4	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	27%	0.273	C	S	.	.	S	Bend	trans	-120.2	80.4	175.1	-64.5	177.7	0	0	0	110.9	A103 L107 Y108 N149 L179 L197 V223 Y227	A103-L105 VanDerWaalsContact C-N 3.32Å; L105-L107 PolarHBondContact O-N 3.3Å; L105-L107 VanDerWaalsContact O-N 3.1Å; L105-Y108 HydrophobicContact CB-CD2 3.76Å; L105-Y108 HydrophobicContact CB-CE2 4.2Å; L105-Y108 HydrophobicContact CD1-CD2 4.02Å; L105-Y108 HydrophobicContact CD1-CE2 3.7Å; L105-Y108 PolarHBondContact O-N 2.98Å; L105-N149 WeakPolarHBondContact CD2-OD1 3.44Å; L105-L179 HydrophobicContact CB-CD2 4.47Å; L105-L179 HydrophobicContact CD1-CD2 4.24Å; L105-L179 HydrophobicContact CG-CD2 4.46Å; L105-L197 HydrophobicContact CD1-CD2 3.44Å; L105-L197 VanDerWaalsContact CD1-CD2 3.44Å; L105-L197 HydrophobicContact CG-CD2 3.8Å; L105-V223 HydrophobicContact CD1-CG1 3.79Å; L105-V223 HydrophobicContact CD2-CG1 3.61Å; L105-V223 HydrophobicContact CG-CG1 4.35Å; L105-Y227 HydrophobicContact CD2-CD2 4.06Å
106	P	82.7	Confident	82.6	Confident	15 Å²	15	52.5 Å²	52.5	10%	0.097	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-49.4	-36.2	179.6	-35.1	41.4	0	0	0	114.6	I100 A103 I104 Y108 F109 L145 N149	I100-P106 HydrophobicContact CG2-CB 3.93Å; I100-P106 HydrophobicContact CG2-CG 4.44Å; A103-P106 HydrophobicContact CB-CG 4.3Å; A103-P106 WeakPolarHBondContact O-CD 3.28Å; I104-P106 WeakPolarHBondContact O-CD 3.42Å; P106-Y108 PolarHBondContact O-N 3.32Å; P106-Y108 VanDerWaalsContact O-N 3.15Å; P106-F109 WeakPolarHBondContact O-CB 3.18Å; P106-F109 PolarHBondContact O-N 3.15Å; P106-L145 HydrophobicContact CB-CD1 4.18Å; P106-L145 HydrophobicContact CG-CD1 3.86Å; P106-N149 WeakPolarHBondContact CD-OD1 3.42Å
107	L	83.7	Confident	82.8	Confident	11 Å²	11	48.2 Å²	48.2	6%	0.058	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-59.2	-30.7	-172.7	-53	-178.5	0	0	0	113.6	L105 F109 L110 L115 N149 L150 Q162	L105-L107 PolarHBondContact O-N 3.3Å; L105-L107 VanDerWaalsContact O-N 3.1Å; L107-F109 VanDerWaalsContact C-N 3.28Å; L107-F109 PolarHBondContact O-N 3.14Å; L107-L110 HydrophobicContact CD2-CD1 4.27Å; L107-L110 PolarHBondContact O-N 3.1Å; L107-L115 HydrophobicContact CD2-CD1 3.72Å; L107-N149 HydrophobicContact CD1-CB 3.96Å; L107-N149 WeakPolarHBondContact CD1-O 3.32Å; L107-N149 HydrophobicContact CD2-CB 4.34Å; L107-N149 HydrophobicContact CG-CB 4.01Å; L107-L150 HydrophobicContact CD2-CD2 3.64Å; L107-Q162 PolarHBondContact O-NE2 3.44Å; L107-Q162 VanDerWaalsContact O-NE2 3.14Å
108	Y	81.8	Confident	83.2	Confident	23 Å²	23	45.9 Å²	45.9	9%	0.09	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-76.1	-16.6	179.6	-67.5	-53.2	0	0	0	113.5	L105 P106 I165 L169 L179 L220	L105-Y108 HydrophobicContact CB-CD2 3.76Å; L105-Y108 HydrophobicContact CB-CE2 4.2Å; L105-Y108 HydrophobicContact CD1-CD2 4.02Å; L105-Y108 HydrophobicContact CD1-CE2 3.7Å; L105-Y108 PolarHBondContact O-N 2.98Å; P106-Y108 PolarHBondContact O-N 3.32Å; P106-Y108 VanDerWaalsContact O-N 3.15Å; Y108-I165 HydrophobicContact CD1-CG2 3.62Å; Y108-I165 HydrophobicContact CE1-CD1 4.23Å; Y108-I165 HydrophobicContact CE1-CG2 3.74Å; Y108-L169 HydrophobicContact CD1-CD1 4.34Å; Y108-L169 HydrophobicContact CG-CD1 4.24Å; Y108-L179 HydrophobicContact CD2-CD1 4.5Å; Y108-L220 HydrophobicContact CE2-CD1 3.74Å; Y108-L220 WeakPolarHBondContact OH-CD1 3.22Å
109	F	83.4	Confident	83.7	Confident	39 Å²	39	37.7 Å²	37.7	17%	0.171	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-89.7	-8.7	173.1	-62.6	-88.2	0	0	0	112.9	K97 I100 A103 P106 L107 L176 L179 L180	K97-F109 PolarHBondContact NZ-O 3.37Å; I100-F109 HydrophobicContact CG1-CB 4.1Å; A103-F109 HydrophobicContact CB-CD2 3.65Å; A103-F109 HydrophobicContact CB-CE2 3.56Å; A103-F109 HydrophobicContact CB-CZ 4.46Å; P106-F109 WeakPolarHBondContact O-CB 3.18Å; P106-F109 PolarHBondContact O-N 3.15Å; L107-F109 VanDerWaalsContact C-N 3.28Å; L107-F109 PolarHBondContact O-N 3.14Å; F109-L176 HydrophobicContact CE1-CD2 4.25Å; F109-L176 HydrophobicContact CZ-CD2 4.21Å; F109-L179 HydrophobicContact CE2-CB 4.1Å; F109-L179 HydrophobicContact CE2-CD1 4.35Å; F109-L179 HydrophobicContact CZ-CB 4.11Å; F109-L180 HydrophobicContact CZ-CD2 4.19Å
110	L	85.4	Confident	84.6	Confident	4 Å²	4	37 Å²	37	2%	0.021	19%	0.186	C	C	.	.	S	Bend	trans	-92	128	179.9	-58	-176.7	0	0	0	111.4	I93 I100 L107 E114 L115 L118 Q162 Q166	I93-L110 HydrophobicContact CD1-CD2 4.19Å; I93-L110 HydrophobicContact CG2-CD2 3.59Å; I100-L110 HydrophobicContact CD1-CD2 3.52Å; L107-L110 HydrophobicContact CD2-CD1 4.27Å; L107-L110 PolarHBondContact O-N 3.1Å; L110-E114 HydrophobicContact CB-CB 4.2Å; L110-E114 HydrophobicContact CD2-CB 4.33Å; L110-L115 HydrophobicContact CB-CB 4.23Å; L110-L115 HydrophobicContact CD1-CD1 4.36Å; L110-L118 HydrophobicContact CD1-CD2 3.74Å; L110-Q162 PolarHBondContact O-NE2 2.81Å; L110-Q166 PolarHBondContact O-NE2 3.37Å
111	T	85.5	Confident	85.2	Confident	61 Å²	61	36.7 Å²	36.7	37%	0.374	18%	0.184	S	C	.	.			trans	-58.3	156.5	165.8	61.9	0	0	0	0	110.2	G113 E114 L115	T111-G113 PolarHBondContact O-N 3.22Å; T111-E114 WeakPolarHBondContact CB-OE2 3.49Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.18Å; T111-E114 PolarHBondContact N-OE2 2.87Å; T111-E114 PolarHBondContact O-N 3.49Å; T111-E114 VanDerWaalsContact O-N 3.1Å; T111-E114 VanDerWaalsContact OG1-CD 3.25Å; T111-E114 VanDerWaalsContact OG1-CG 3.3Å; T111-E114 WeakPolarHBondContact OG1-CG 3.27Å; T111-E114 PolarHBondContact OG1-N 2.95Å; T111-E114 PolarHBondContact OG1-OE2 3.32Å; T111-L115 WeakPolarHBondContact O-CB 3.4Å; T111-L115 PolarHBondContact O-N 2.81Å
112	Y	85.1	Confident	86	Confident	80 Å²	80	30.4 Å²	30.4	31%	0.314	16%	0.157	S	C	.	.	H	α-helix	trans	-54	-38.7	177.4	178.4	-103.6	0	0	0	112.6	L115 S116 V157 Q159 Q162	Y112-L115 PolarHBondContact O-N 3.37Å; Y112-S116 WeakPolarHBondContact O-CB 3.46Å; Y112-S116 PolarHBondContact O-N 3.18Å; Y112-V157 HydrophobicContact CD2-CG1 4.3Å; Y112-V157 HydrophobicContact CE2-CG1 4.22Å; Y112-Q159 HydrophobicContact CD1-CB 4.26Å; Y112-Q159 HydrophobicContact CD1-CG 3.75Å; Y112-Q159 HydrophobicContact CD2-CB 4.05Å; Y112-Q159 HydrophobicContact CD2-CG 4.2Å; Y112-Q159 HydrophobicContact CE1-CB 3.95Å; Y112-Q159 HydrophobicContact CE1-CG 3.82Å; Y112-Q159 HydrophobicContact CE2-CB 3.74Å; Y112-Q159 HydrophobicContact CE2-CG 4.28Å; Y112-Q159 HydrophobicContact CG-CB 4.3Å; Y112-Q159 HydrophobicContact CG-CG 3.94Å; Y112-Q162 HydrophobicContact CD2-CB 4.39Å
113	G	86.6	Confident	86.6	Confident	37 Å²	37	31.9 Å²	31.9	38%	0.381	16%	0.163	S	C	.	.	H	α-helix	trans	-64	-43.3	177	0	0	0	0	0	113.4	T111 S116 Q117	T111-G113 PolarHBondContact O-N 3.22Å; G113-S116 PolarHBondContact O-N 3.3Å; G113-Q117 WeakPolarHBondContact O-CG 3.39Å; G113-Q117 PolarHBondContact O-N 3.39Å; G113-Q117 VanDerWaalsContact O-N 3.13Å
114	E	89.4	Confident	87	Confident	25 Å²	25	38.9 Å²	38.9	12%	0.117	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-42	176	-69.7	161.7	143.3	0	0	111.5	I93 K97 L110 T111 Q117 L118	I93-E114 HydrophobicContact CD1-CB 4.18Å; K97-E114 WeakPolarHBondContact CE-OE1 3.26Å; K97-E114 VanDerWaalsContact NZ-CD 3.34Å; K97-E114 IonicContact NZ-OE1 3.92Å; K97-E114 PolarHBondContact NZ-OE1 3.34Å; K97-E114 VanDerWaalsContact NZ-OE1 3.16Å; K97-E114 IonicContact NZ-OE2 3.82Å; K97-E114 PolarHBondContact NZ-OE2 2.89Å; L110-E114 HydrophobicContact CB-CB 4.2Å; L110-E114 HydrophobicContact CD2-CB 4.33Å; T111-E114 WeakPolarHBondContact CB-OE2 3.49Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.18Å; T111-E114 PolarHBondContact N-OE2 2.87Å; T111-E114 PolarHBondContact O-N 3.49Å; T111-E114 VanDerWaalsContact O-N 3.1Å; T111-E114 VanDerWaalsContact OG1-CD 3.25Å; T111-E114 VanDerWaalsContact OG1-CG 3.3Å; T111-E114 WeakPolarHBondContact OG1-CG 3.27Å; T111-E114 PolarHBondContact OG1-N 2.95Å; T111-E114 PolarHBondContact OG1-OE2 3.32Å; E114-Q117 PolarHBondContact O-N 3.39Å; E114-L118 WeakPolarHBondContact O-CB 3.4Å; E114-L118 PolarHBondContact O-N 3.36Å
115	L	87.7	Confident	87.3	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-40.7	177.9	-178.4	54.4	0	0	0	111.8	L107 L110 T111 Y112 L118 C119 V157 Q162	L107-L115 HydrophobicContact CD2-CD1 3.72Å; L110-L115 HydrophobicContact CB-CB 4.23Å; L110-L115 HydrophobicContact CD1-CD1 4.36Å; T111-L115 WeakPolarHBondContact O-CB 3.4Å; T111-L115 PolarHBondContact O-N 2.81Å; Y112-L115 PolarHBondContact O-N 3.37Å; L115-L118 PolarHBondContact O-N 2.87Å; L115-C119 WeakPolarHBondContact O-CB 3.25Å; L115-C119 PolarHBondContact O-N 3.12Å; L115-C119 PolarHBondContact O-SG 2.91Å; L115-V157 HydrophobicContact CD2-CB 4.35Å; L115-V157 HydrophobicContact CD2-CG1 3.77Å; L115-V157 HydrophobicContact CD2-CG2 3.86Å; L115-Q162 HydrophobicContact CD2-CG 4.27Å
116	S	87.9	Confident	87.5	Confident	40 Å²	40	44.4 Å²	44.4	28%	0.28	21%	0.209	S	C	.	.	H	α-helix	trans	-59.4	-48.4	174.7	-169.2	0	0	0	0	111.1	Y112 G113 L118 C119 D120	Y112-S116 WeakPolarHBondContact O-CB 3.46Å; Y112-S116 PolarHBondContact O-N 3.18Å; G113-S116 PolarHBondContact O-N 3.3Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 3.46Å; S116-C119 PolarHBondContact O-N 3.26Å; S116-D120 WeakPolarHBondContact O-CB 2.98Å; S116-D120 PolarHBondContact O-N 3.3Å
117	Q	90.8	Very high	87.7	Confident	105 Å²	105	48.4 Å²	48.4	49%	0.491	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-40.5	177.5	-71.4	172.9	23.7	0	0	112.1	V89 G113 E114 D120 A121	V89-Q117 HydrophobicContact CG1-CB 4.32Å; G113-Q117 WeakPolarHBondContact O-CG 3.39Å; G113-Q117 PolarHBondContact O-N 3.39Å; G113-Q117 VanDerWaalsContact O-N 3.13Å; E114-Q117 PolarHBondContact O-N 3.39Å; Q117-D120 PolarHBondContact O-N 2.93Å; Q117-A121 WeakPolarHBondContact O-CB 2.78Å; Q117-A121 PolarHBondContact O-N 3.48Å
118	L	90.5	Very high	87.7	Confident	5 Å²	5	51 Å²	51	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-39.4	178.4	-171.5	57.6	0	0	0	111.9	V86 V89 V90 L110 E114 L115 S116 A121 Y122 L150	V86-L118 HydrophobicContact CG1-CD1 3.96Å; V89-L118 HydrophobicContact CB-CD1 4.21Å; V89-L118 HydrophobicContact CG1-CB 4.16Å; V89-L118 HydrophobicContact CG1-CD1 3.99Å; V90-L118 HydrophobicContact CG2-CD1 3.6Å; L110-L118 HydrophobicContact CD1-CD2 3.74Å; E114-L118 WeakPolarHBondContact O-CB 3.4Å; E114-L118 PolarHBondContact O-N 3.36Å; L115-L118 PolarHBondContact O-N 2.87Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 3.46Å; L118-A121 PolarHBondContact O-N 3.01Å; L118-Y122 WeakPolarHBondContact O-CB 3.31Å; L118-Y122 PolarHBondContact O-N 3.47Å; L118-L150 HydrophobicContact CD1-CD1 4.21Å; L118-L150 HydrophobicContact CD2-CD1 4.33Å; L118-L150 HydrophobicContact CD2-CD2 3.5Å; L118-L150 HydrophobicContact CG-CD1 4.07Å; L118-L150 HydrophobicContact CG-CD2 3.65Å
119	C	90	Very high	87.9	Confident	6 Å²	6	50.7 Å²	50.7	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-68.6	-36.7	174.7	-68.4	0	0	0	0	112.8	L115 S116 A121 Y122 R123 C154	L115-C119 WeakPolarHBondContact O-CB 3.25Å; L115-C119 PolarHBondContact O-N 3.12Å; L115-C119 PolarHBondContact O-SG 2.91Å; S116-C119 PolarHBondContact O-N 3.26Å; C119-A121 VanDerWaalsContact C-N 3.35Å; C119-Y122 PolarHBondContact O-N 3.5Å; C119-R123 WeakPolarHBondContact O-CG 3.4Å; C119-R123 PolarHBondContact O-N 2.97Å; C119-C154 WeakPolarHBondContact CA-SG 3.37Å; C119-C154 HydrophobicContact CB-CB 3.66Å; C119-C154 WeakPolarHBondContact CB-SG 3.49Å; C119-C154 WeakPolarHBondContact SG-CA 3.38Å; C119-C154 WeakPolarHBondContact SG-CB 3.49Å; C119-C154 CovalentContact SG-SG 2.04Å; C119-C154 PolarHBondContact SG-SG 3.3Å
120	D	90.6	Very high	87.8	Confident	66 Å²	66	54.4 Å²	54.4	35%	0.353	30%	0.296	S	S	.	.	H	α-helix	trans	-67.6	-37.3	174.5	-64.4	-26.8	0	0	0	111.2	S116 Q117 R123 R124	S116-D120 WeakPolarHBondContact O-CB 2.98Å; S116-D120 PolarHBondContact O-N 3.3Å; Q117-D120 PolarHBondContact O-N 2.93Å; D120-R123 IonicContact OD1-CZ 3.25Å; D120-R123 IonicContact OD1-NH1 3.6Å; D120-R123 PolarHBondContact OD1-NH1 3.35Å; D120-R124 WeakPolarHBondContact O-CB 3.25Å; D120-R124 WeakPolarHBondContact O-CG 3.24Å; D120-R124 PolarHBondContact O-N 3.06Å; D120-R124 PolarHBondContact O-NE 3.29Å
121	A	91.7	Very high	87.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-43.8	170.6	0	0	0	0	0	112.5	P85 V86 V89 Q117 L118 C119 R124 S125	P85-A121 HydrophobicContact CB-CB 4.4Å; P85-A121 WeakPolarHBondContact O-CB 3.42Å; V86-A121 HydrophobicContact CG2-CB 4.43Å; V89-A121 HydrophobicContact CB-CB 4.42Å; V89-A121 HydrophobicContact CG2-CB 3.77Å; Q117-A121 WeakPolarHBondContact O-CB 2.78Å; Q117-A121 PolarHBondContact O-N 3.48Å; L118-A121 PolarHBondContact O-N 3.01Å; C119-A121 VanDerWaalsContact C-N 3.35Å; A121-R124 PolarHBondContact O-N 2.91Å; A121-S125 VanDerWaalsContact O-CB 3.29Å; A121-S125 WeakPolarHBondContact O-CB 3.39Å; A121-S125 PolarHBondContact O-N 3.27Å
122	Y	90.5	Very high	87.4	Confident	10 Å²	10	55.3 Å²	55.3	4%	0.039	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-45.5	175.9	173.1	-118.5	0	0	0	112	L118 C119 S125 R126 Y133 V146 L150 C154	L118-Y122 WeakPolarHBondContact O-CB 3.31Å; L118-Y122 PolarHBondContact O-N 3.47Å; C119-Y122 PolarHBondContact O-N 3.5Å; Y122-S125 WeakPolarHBondContact O-CB 3.1Å; Y122-S125 PolarHBondContact O-N 3.16Å; Y122-R126 WeakPolarHBondContact O-CB 3.05Å; Y122-R126 PolarHBondContact O-N 3.01Å; Y122-R126 PolarHBondContact OH-NH1 3.42Å; Y122-Y133 WeakPolarHBondContact CD2-OH 3.37Å; Y122-Y133 HydrophobicContact CE2-CE2 4.34Å; Y122-Y133 WeakPolarHBondContact CE2-OH 3.42Å; Y122-V146 HydrophobicContact CD2-CG1 4.08Å; Y122-V146 HydrophobicContact CD2-CG2 4.19Å; Y122-V146 HydrophobicContact CE2-CG1 3.44Å; Y122-V146 VanDerWaalsContact CE2-CG1 3.44Å; Y122-V146 HydrophobicContact CE2-CG2 4.38Å; Y122-L150 HydrophobicContact CG-CB 4.42Å; Y122-C154 HydrophobicContact CD1-CB 4.12Å
123	R	89.4	Confident	87.3	Confident	136 Å²	136	51.6 Å²	51.6	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176.2	-71.4	-173.2	-149.4	117.9	5.3	112	C119 D120 R126 S127	C119-R123 WeakPolarHBondContact O-CG 3.4Å; C119-R123 PolarHBondContact O-N 2.97Å; D120-R123 IonicContact OD1-CZ 3.25Å; D120-R123 IonicContact OD1-NH1 3.6Å; D120-R123 PolarHBondContact OD1-NH1 3.35Å; R123-R126 PolarHBondContact O-N 3.49Å; R123-S127 PolarHBondContact O-N 3.49Å; R123-S127 PolarHBondContact O-OG 3.44Å; R123-S127 VanDerWaalsContact O-OG 3.1Å
124	R	89.4	Confident	86.8	Confident	150 Å²	150	50.5 Å²	50.5	57%	0.566	27%	0.269	S	S	*	.	H	α-helix	trans	-61	-44.5	176.8	-77	-173.9	-65.4	157.2	1.6	112.1	D120 A121 S127 G128	D120-R124 WeakPolarHBondContact O-CB 3.25Å; D120-R124 WeakPolarHBondContact O-CG 3.24Å; D120-R124 PolarHBondContact O-N 3.06Å; D120-R124 PolarHBondContact O-NE 3.29Å; A121-R124 PolarHBondContact O-N 2.91Å; R124-S127 WeakPolarHBondContact CA-OG 3.44Å; R124-S127 PolarHBondContact O-N 2.93Å; R124-S127 PolarHBondContact O-OG 3.26Å; R124-G128 PolarHBondContact O-N 3.1Å
125	S	89	Confident	86.2	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.014	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-51.2	174.5	166.1	0	0	0	0	110.7	C82 A121 Y122 S127 G128 C129 Y133	C82-S125 VanDerWaalsContact O-CB 3.27Å; C82-S125 WeakPolarHBondContact O-CB 3.33Å; C82-S125 PolarHBondContact O-OG 2.86Å; A121-S125 VanDerWaalsContact O-CB 3.29Å; A121-S125 WeakPolarHBondContact O-CB 3.39Å; A121-S125 PolarHBondContact O-N 3.27Å; Y122-S125 WeakPolarHBondContact O-CB 3.1Å; Y122-S125 PolarHBondContact O-N 3.16Å; S125-S127 PolarHBondContact O-N 3.28Å; S125-G128 PolarHBondContact O-N 2.01Å; S125-C129 PolarHBondContact O-N 3.08Å; S125-C129 PolarHBondContact O-SG 3.44Å; S125-Y133 WeakPolarHBondContact CB-OH 3.48Å; S125-Y133 WeakPolarHBondContact OG-CE1 3.41Å; S125-Y133 VanDerWaalsContact OG-CZ 3.24Å; S125-Y133 PolarHBondContact OG-OH 2.58Å
126	R	87.2	Confident	85.8	Confident	116 Å²	116	54.8 Å²	54.8	44%	0.438	29%	0.292	S	S	.	.	H	α-helix	trans	-61.4	-39.3	179.1	-169.3	175.9	-178.3	146.4	7.1	113.2	Y122 R123 D132	Y122-R126 WeakPolarHBondContact O-CB 3.05Å; Y122-R126 PolarHBondContact O-N 3.01Å; Y122-R126 PolarHBondContact OH-NH1 3.42Å; R123-R126 PolarHBondContact O-N 3.49Å; R126-D132 IonicContact NH2-OD2 3.83Å; R126-D132 PolarHBondContact NH2-OD2 3.45Å
127	S	85.5	Confident	85.1	Confident	100 Å²	100	56.9 Å²	56.9	70%	0.699	31%	0.307	S	S	*	.	H	α-helix	trans	-73	-26.7	177.6	57.3	0	0	0	0	113.9	R123 R124 S125	R123-S127 PolarHBondContact O-N 3.49Å; R123-S127 PolarHBondContact O-OG 3.44Å; R123-S127 VanDerWaalsContact O-OG 3.1Å; R124-S127 WeakPolarHBondContact CA-OG 3.44Å; R124-S127 PolarHBondContact O-N 2.93Å; R124-S127 PolarHBondContact O-OG 3.26Å; S125-S127 PolarHBondContact O-N 3.28Å
128	G	84.9	Confident	84.2	Confident	64 Å²	64	53 Å²	53	66%	0.66	29%	0.291	S	S	*	.	H	α-helix	trans	-87.2	-13	-178.7	0	0	0	0	0	114.1	R124 S125	R124-G128 PolarHBondContact O-N 3.1Å; S125-G128 PolarHBondContact O-N 2.01Å
129	C	86.1	Confident	83.1	Confident	18 Å²	18	55.8 Å²	55.8	12%	0.122	31%	0.311	C	S	.	.			trans	-91.9	131.6	-175.3	-71.6	0	0	0	0	112.6	C82 S125 F131 Y133	C82-C129 WeakPolarHBondContact CA-SG 3.36Å; C82-C129 HydrophobicContact CB-CB 4.26Å; C82-C129 WeakPolarHBondContact CB-SG 3.31Å; C82-C129 VanDerWaalsContact SG-CA 3.56Å; C82-C129 WeakPolarHBondContact SG-CB 3.39Å; C82-C129 CovalentContact SG-SG 2.01Å; C82-C129 PolarHBondContact SG-SG 3.26Å; S125-C129 PolarHBondContact O-N 3.08Å; S125-C129 PolarHBondContact O-SG 3.44Å; C129-F131 PolarHBondContact O-N 3.42Å; C129-Y133 HydrophobicContact CB-CD1 3.88Å; C129-Y133 HydrophobicContact CB-CE1 4.1Å
130	P	81.8	Confident	82.4	Confident	117 Å²	117	57.1 Å²	57.1	76%	0.76	32%	0.317	S	S	*	.	S	Bend	trans	-75.4	0.1	179	27.1	-28.7	0	0	0	113.8
131	F	81.6	Confident	81.7	Confident	24 Å²	24	58.4 Å²	58.4	11%	0.105	32%	0.324	C	S	.	.	S	Bend	trans	-145.4	159.3	179.4	56.9	-86.7	0	0	0	111	N72 A74 Q78 L79 C129 Y133	N72-F131 HydrophobicContact CB-CB 4.37Å; A74-F131 HydrophobicContact CB-CD1 3.86Å; A74-F131 HydrophobicContact CB-CD2 4.01Å; A74-F131 HydrophobicContact CB-CE1 3.54Å; A74-F131 HydrophobicContact CB-CE2 3.66Å; A74-F131 HydrophobicContact CB-CG 4.11Å; A74-F131 HydrophobicContact CB-CZ 3.43Å; A74-F131 VanDerWaalsContact CB-CZ 3.43Å; Q78-F131 HydrophobicContact CB-CE1 4.07Å; Q78-F131 HydrophobicContact CB-CZ 4.22Å; L79-F131 HydrophobicContact CD1-CE2 4.44Å; C129-F131 PolarHBondContact O-N 3.42Å; F131-Y133 PolarHBondContact O-N 3.19Å; F131-Y133 VanDerWaalsContact O-N 3.1Å
132	D	81	Confident	81.2	Confident	59 Å²	59	59 Å²	59	32%	0.316	33%	0.328	S	S	.	.			trans	-81.1	90.7	175.5	-161.2	-17.7	0	0	0	110.4	R126 V134 L135	R126-D132 IonicContact NH2-OD2 3.83Å; R126-D132 PolarHBondContact NH2-OD2 3.45Å; D132-V134 PolarHBondContact O-N 3.18Å; D132-V134 VanDerWaalsContact O-N 3.15Å; D132-V134 WeakPolarHBondContact OD1-CB 3.5Å; D132-V134 VanDerWaalsContact OD1-CG2 3.23Å; D132-V134 WeakPolarHBondContact OD1-CG2 3.32Å; D132-V134 PolarHBondContact OD1-N 3.26Å; D132-V134 VanDerWaalsContact OD1-N 3.14Å; D132-L135 HydrophobicContact CB-CD1 4.36Å; D132-L135 PolarHBondContact O-N 3.29Å; D132-L135 VanDerWaalsContact O-N 3.15Å
133	Y	81.5	Confident	80.8	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.008	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-66.5	-10.7	179.5	61.1	-100.1	0	0	0	113.6	L79 C82 L83 Y122 S125 C129 F131 L135 C136 V146	L79-Y133 HydrophobicContact CD1-CG 4.39Å; C82-Y133 HydrophobicContact CB-CD1 4.33Å; L83-Y133 HydrophobicContact CD2-CD2 3.85Å; L83-Y133 HydrophobicContact CD2-CE2 3.69Å; Y122-Y133 WeakPolarHBondContact CD2-OH 3.37Å; Y122-Y133 HydrophobicContact CE2-CE2 4.34Å; Y122-Y133 WeakPolarHBondContact CE2-OH 3.42Å; S125-Y133 WeakPolarHBondContact CB-OH 3.48Å; S125-Y133 WeakPolarHBondContact OG-CE1 3.41Å; S125-Y133 VanDerWaalsContact OG-CZ 3.24Å; S125-Y133 PolarHBondContact OG-OH 2.58Å; C129-Y133 HydrophobicContact CB-CD1 3.88Å; C129-Y133 HydrophobicContact CB-CE1 4.1Å; F131-Y133 PolarHBondContact O-N 3.19Å; F131-Y133 VanDerWaalsContact O-N 3.1Å; Y133-L135 PolarHBondContact O-N 2.87Å; Y133-C136 WeakPolarHBondContact O-CB 3.49Å; Y133-C136 PolarHBondContact O-N 3.44Å; Y133-C136 VanDerWaalsContact O-N 3.1Å; Y133-V146 HydrophobicContact CE2-CG1 3.94Å; Y133-V146 HydrophobicContact CE2-CG2 4.29Å
134	V	75.6	Confident	80.2	Confident	15 Å²	15	54.3 Å²	54.3	9%	0.091	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-62.9	-23.4	172.6	-177.4	0	0	0	0	110.8	D132 V146 Q147	D132-V134 PolarHBondContact O-N 3.18Å; D132-V134 VanDerWaalsContact O-N 3.15Å; D132-V134 WeakPolarHBondContact OD1-CB 3.5Å; D132-V134 VanDerWaalsContact OD1-CG2 3.23Å; D132-V134 WeakPolarHBondContact OD1-CG2 3.32Å; D132-V134 PolarHBondContact OD1-N 3.26Å; D132-V134 VanDerWaalsContact OD1-N 3.14Å; V134-V146 HydrophobicContact CG2-CG1 4.07Å; V134-Q147 HydrophobicContact CG1-CG 4.22Å; V134-Q147 PolarHBondContact O-NE2 3.28Å
135	L	78	Confident	79.9	Confident	114 Å²	114	48.3 Å²	48.3	60%	0.597	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-88.4	-3.3	177.4	-58.4	175.7	0	0	0	113.9	P71 D132 Y133	P71-L135 HydrophobicContact CG-CB 3.74Å; P71-L135 HydrophobicContact CG-CD1 4.21Å; D132-L135 HydrophobicContact CB-CD1 4.36Å; D132-L135 PolarHBondContact O-N 3.29Å; D132-L135 VanDerWaalsContact O-N 3.15Å; Y133-L135 PolarHBondContact O-N 2.87Å
136	C	79.2	Confident	79.6	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	29%	0.291	C	S	.	.			trans	-76.9	135	-179.8	-64.1	0	0	0	0	111.4	S69 C70 L79 Y133 Q147	S69-C136 CarbonylContact O-C 3.51Å; S69-C136 WeakPolarHBondContact O-CA 3.14Å; C70-C136 HydrophobicContact CB-CB 4.15Å; C70-C136 WeakPolarHBondContact CB-SG 3.35Å; C70-C136 WeakPolarHBondContact SG-CB 3.34Å; C70-C136 CovalentContact SG-SG 2.03Å; C70-C136 PolarHBondContact SG-SG 3.03Å; L79-C136 HydrophobicContact CD1-CB 4.49Å; L79-C136 HydrophobicContact CD2-CB 4.4Å; Y133-C136 WeakPolarHBondContact O-CB 3.49Å; Y133-C136 PolarHBondContact O-N 3.44Å; Y133-C136 VanDerWaalsContact O-N 3.1Å; C136-Q147 PolarHBondContact O-NE2 3.05Å
137	S	73.2	Confident	79.1	Confident	85 Å²	85	45.6 Å²	45.6	59%	0.594	28%	0.283	S	S	*	.	B	Isolated β-bridge	trans	-86.4	118	163.7	-172.8	0	0	0	0	108.7	V68 S69	V68-S137 WeakPolarHBondContact CA-O 3.41Å; S69-S137 PolarHBondContact N-O 3.29Å; S69-S137 PolarHBondContact O-N 3.15Å
138	S	71.4	Confident	78.5	Confident	24 Å²	24	41 Å²	41	17%	0.168	25%	0.251	C	S	.	.			trans	-149.6	146.1	-178.9	-179.5	0	0	0	0	110.3	N140	S138-N140 PolarHBondContact O-N 3.19Å; S138-N140 VanDerWaalsContact OG-CB 3.3Å; S138-N140 WeakPolarHBondContact OG-CB 3.48Å; S138-N140 PolarHBondContact OG-N 2.04Å; S138-N140 VanDerWaalsContact OG-N 3.12Å
139	S	67.7	Low	78.3	Confident	62 Å²	62	38.3 Å²	38.3	43%	0.434	22%	0.222	S	C	.	.	S	Bend	trans	-75.7	1.9	169	56.3	0	0	0	0	113.4	D141	S139-D141 PolarHBondContact O-N 3.29Å
140	N	74.3	Confident	78.2	Confident	34 Å²	34	37.4 Å²	37.4	18%	0.182	22%	0.216	C	C	.	.			trans	-71.2	116	178	-174.8	-28.3	0	0	0	110.5	Q87 S138 T142 V143 H144	Q87-N140 PolarHBondContact NE2-ND2 3.17Å; S138-N140 PolarHBondContact O-N 3.19Å; S138-N140 VanDerWaalsContact OG-CB 3.3Å; S138-N140 WeakPolarHBondContact OG-CB 3.48Å; S138-N140 PolarHBondContact OG-N 2.04Å; S138-N140 VanDerWaalsContact OG-N 3.12Å; N140-T142 PolarHBondContact O-N 2.96Å; N140-T142 WeakPolarHBondContact OD1-CB 3.49Å; N140-T142 PolarHBondContact OD1-N 3.22Å; N140-T142 PolarHBondContact OD1-OG1 3.06Å; N140-V143 HydrophobicContact CB-CB 4.48Å; N140-V143 HydrophobicContact CB-CG2 3.98Å; N140-V143 WeakPolarHBondContact O-CB 3.47Å; N140-V143 PolarHBondContact O-N 3.31Å; N140-H144 PolarHBondContact O-N 2.89Å
141	D	76.2	Confident	78.1	Confident	93 Å²	93	35.9 Å²	35.9	50%	0.497	20%	0.198	S	C	.	.	H	α-helix	trans	-49.5	-31.1	177.5	-69.3	-22	0	0	0	113.4	S139 H144 L145	S139-D141 PolarHBondContact O-N 3.29Å; D141-H144 PolarHBondContact O-N 3.01Å; D141-L145 WeakPolarHBondContact O-CB 3.48Å; D141-L145 PolarHBondContact O-N 2.89Å
142	T	82.4	Confident	77.9	Confident	14 Å²	14	36.6 Å²	36.6	9%	0.086	20%	0.201	C	C	.	.	H	α-helix	trans	-69.8	-39.2	179.1	-39.7	0	0	0	0	111.7	L83 V86 Q87 N140 H144 L145 V146	L83-T142 HydrophobicContact CB-CG2 4.34Å; L83-T142 HydrophobicContact CD2-CG2 4.21Å; V86-T142 HydrophobicContact CB-CG2 4.1Å; V86-T142 HydrophobicContact CG1-CG2 3.72Å; Q87-T142 HydrophobicContact CG-CG2 3.77Å; Q87-T142 VanDerWaalsContact CG-OG1 3.32Å; Q87-T142 WeakPolarHBondContact CG-OG1 3.34Å; Q87-T142 PolarHBondContact NE2-OG1 3.24Å; N140-T142 PolarHBondContact O-N 2.96Å; N140-T142 WeakPolarHBondContact OD1-CB 3.49Å; N140-T142 PolarHBondContact OD1-N 3.22Å; N140-T142 PolarHBondContact OD1-OG1 3.06Å; T142-H144 VanDerWaalsContact C-N 3.34Å; T142-L145 PolarHBondContact O-N 3.44Å; T142-V146 VanDerWaalsContact O-CG2 3.31Å; T142-V146 WeakPolarHBondContact O-CG2 3.37Å; T142-V146 PolarHBondContact O-N 3.33Å
143	V	81	Confident	77.7	Confident	1 Å²	1	34 Å²	34	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-46.6	175.5	176.4	0	0	0	0	109.3	L79 L83 N140 L145 V146 Q147	L79-V143 HydrophobicContact CD1-CG2 4.19Å; L79-V143 HydrophobicContact CD2-CG2 4.06Å; L79-V143 HydrophobicContact CG-CG2 4.38Å; L83-V143 HydrophobicContact CD1-CG2 3.38Å; N140-V143 HydrophobicContact CB-CB 4.48Å; N140-V143 HydrophobicContact CB-CG2 3.98Å; N140-V143 WeakPolarHBondContact O-CB 3.47Å; N140-V143 PolarHBondContact O-N 3.31Å; V143-L145 PolarHBondContact O-N 3.3Å; V143-V146 WeakPolarHBondContact O-CB 3.39Å; V143-V146 PolarHBondContact O-N 2.83Å; V143-V146 VanDerWaalsContact O-N 3.14Å; V143-Q147 HydrophobicContact CG1-CG 4.32Å; V143-Q147 WeakPolarHBondContact O-CB 3.4Å; V143-Q147 WeakPolarHBondContact O-CG 3.31Å; V143-Q147 PolarHBondContact O-N 3.31Å
144	H	77.6	Confident	77.8	Confident	45 Å²	45	34.7 Å²	34.7	21%	0.208	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-44.7	176.6	-176.3	-86.6	0	0	0	111.8	N140 D141 T142 V146 Q147 T148	N140-H144 PolarHBondContact O-N 2.89Å; D141-H144 PolarHBondContact O-N 3.01Å; T142-H144 VanDerWaalsContact C-N 3.34Å; H144-V146 VanDerWaalsContact C-N 3.3Å; H144-V146 PolarHBondContact O-N 2.78Å; H144-Q147 PolarHBondContact O-N 3.15Å; H144-T148 VanDerWaalsContact CE1-CG2 3.49Å; H144-T148 WeakPolarHBondContact CE1-CG2 3.39Å; H144-T148 WeakPolarHBondContact NE2-CG2 3.3Å; H144-T148 WeakPolarHBondContact O-CB 3.34Å; H144-T148 WeakPolarHBondContact O-CG2 3.5Å; H144-T148 PolarHBondContact O-N 2.85Å; H144-T148 PolarHBondContact O-OG1 2.64Å
145	L	82.6	Confident	77.8	Confident	24 Å²	24	38.5 Å²	38.5	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-40.6	175.1	179.6	68.1	0	0	0	111.8	V90 P106 D141 T142 V143 N149 L150	V90-L145 HydrophobicContact CG1-CD2 4.49Å; V90-L145 HydrophobicContact CG2-CD2 3.7Å; P106-L145 HydrophobicContact CB-CD1 4.18Å; P106-L145 HydrophobicContact CG-CD1 3.86Å; D141-L145 WeakPolarHBondContact O-CB 3.48Å; D141-L145 PolarHBondContact O-N 2.89Å; T142-L145 PolarHBondContact O-N 3.44Å; V143-L145 PolarHBondContact O-N 3.3Å; L145-N149 HydrophobicContact CD1-CB 4.02Å; L145-N149 WeakPolarHBondContact O-CA 3.36Å; L145-N149 WeakPolarHBondContact O-CB 3.41Å; L145-N149 PolarHBondContact O-N 3.05Å; L145-L150 HydrophobicContact CD2-CD1 4.24Å; L145-L150 HydrophobicContact CG-CD1 4.16Å; L145-L150 HydrophobicContact CG-CG 4.25Å; L145-L150 PolarHBondContact O-N 2.8Å
146	V	83.5	Confident	77.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-63.3	-51.8	176.5	168.5	0	0	0	0	110.9	L83 Y122 Y133 V134 T142 V143 H144 L150 Q151	L83-V146 HydrophobicContact CD2-CG2 4.37Å; Y122-V146 HydrophobicContact CD2-CG1 4.08Å; Y122-V146 HydrophobicContact CD2-CG2 4.19Å; Y122-V146 HydrophobicContact CE2-CG1 3.44Å; Y122-V146 VanDerWaalsContact CE2-CG1 3.44Å; Y122-V146 HydrophobicContact CE2-CG2 4.38Å; Y133-V146 HydrophobicContact CE2-CG1 3.94Å; Y133-V146 HydrophobicContact CE2-CG2 4.29Å; V134-V146 HydrophobicContact CG2-CG1 4.07Å; T142-V146 VanDerWaalsContact O-CG2 3.31Å; T142-V146 WeakPolarHBondContact O-CG2 3.37Å; T142-V146 PolarHBondContact O-N 3.33Å; V143-V146 WeakPolarHBondContact O-CB 3.39Å; V143-V146 PolarHBondContact O-N 2.83Å; V143-V146 VanDerWaalsContact O-N 3.14Å; H144-V146 VanDerWaalsContact C-N 3.3Å; H144-V146 PolarHBondContact O-N 2.78Å; V146-L150 HydrophobicContact CG2-CD1 4.02Å; V146-L150 PolarHBondContact O-N 3.42Å; V146-Q151 WeakPolarHBondContact O-CB 3.38Å; V146-Q151 PolarHBondContact O-N 3.14Å
147	Q	76.8	Confident	76.9	Confident	61 Å²	61	39.6 Å²	39.6	29%	0.285	22%	0.221	S	C	.	.	I	π-helix	trans	-64.8	-43.3	-175.6	-73.2	169.3	-22.4	0	0	112.3	V134 C136 V143 H144	V134-Q147 HydrophobicContact CG1-CG 4.22Å; V134-Q147 PolarHBondContact O-NE2 3.28Å; C136-Q147 PolarHBondContact O-NE2 3.05Å; V143-Q147 HydrophobicContact CG1-CG 4.32Å; V143-Q147 WeakPolarHBondContact O-CB 3.4Å; V143-Q147 WeakPolarHBondContact O-CG 3.31Å; V143-Q147 PolarHBondContact O-N 3.31Å; H144-Q147 PolarHBondContact O-N 3.15Å
148	T	72.3	Confident	77	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.031	21%	0.209	C	C	.	.	I	π-helix	trans	-88.1	-27.6	-173.3	56.5	0	0	0	0	114.1	H144 Y227	H144-T148 VanDerWaalsContact CE1-CG2 3.49Å; H144-T148 WeakPolarHBondContact CE1-CG2 3.39Å; H144-T148 WeakPolarHBondContact NE2-CG2 3.3Å; H144-T148 WeakPolarHBondContact O-CB 3.34Å; H144-T148 WeakPolarHBondContact O-CG2 3.5Å; H144-T148 PolarHBondContact O-N 2.85Å; H144-T148 PolarHBondContact O-OG1 2.64Å; T148-Y227 HydrophobicContact CG2-CD2 4.41Å; T148-Y227 HydrophobicContact CG2-CE2 4.43Å
149	N	80.2	Confident	77.4	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.032	23%	0.228	C	C	.	.	I	π-helix	trans	-125.7	-58.3	-170.2	-75.9	-96	0	0	0	112.7	L105 P106 L107 L145 Q151 Y152 G153	L105-N149 WeakPolarHBondContact CD2-OD1 3.44Å; P106-N149 WeakPolarHBondContact CD-OD1 3.42Å; L107-N149 HydrophobicContact CD1-CB 3.96Å; L107-N149 WeakPolarHBondContact CD1-O 3.32Å; L107-N149 HydrophobicContact CD2-CB 4.34Å; L107-N149 HydrophobicContact CG-CB 4.01Å; L145-N149 HydrophobicContact CD1-CB 4.02Å; L145-N149 WeakPolarHBondContact O-CA 3.36Å; L145-N149 WeakPolarHBondContact O-CB 3.41Å; L145-N149 PolarHBondContact O-N 3.05Å; N149-Q151 PolarHBondContact O-N 2.89Å; N149-Y152 PolarHBondContact O-N 3.34Å; N149-G153 PolarHBondContact O-N 3.37Å
150	L	84.6	Confident	78.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-71.8	-35.5	-166.8	-61.6	174	0	0	0	114.1	V86 L107 L118 Y122 L145 V146 Y152 G153 C154	V86-L150 HydrophobicContact CG1-CD1 3.91Å; L107-L150 HydrophobicContact CD2-CD2 3.64Å; L118-L150 HydrophobicContact CD1-CD1 4.21Å; L118-L150 HydrophobicContact CD2-CD1 4.33Å; L118-L150 HydrophobicContact CD2-CD2 3.5Å; L118-L150 HydrophobicContact CG-CD1 4.07Å; L118-L150 HydrophobicContact CG-CD2 3.65Å; Y122-L150 HydrophobicContact CG-CB 4.42Å; L145-L150 HydrophobicContact CD2-CD1 4.24Å; L145-L150 HydrophobicContact CG-CD1 4.16Å; L145-L150 HydrophobicContact CG-CG 4.25Å; L145-L150 PolarHBondContact O-N 2.8Å; V146-L150 HydrophobicContact CG2-CD1 4.02Å; V146-L150 PolarHBondContact O-N 3.42Å; L150-Y152 VanDerWaalsContact C-N 3.25Å; L150-Y152 PolarHBondContact O-N 2.92Å; L150-G153 PolarHBondContact O-N 2.88Å; L150-C154 VanDerWaalsContact O-CB 3.23Å; L150-C154 WeakPolarHBondContact O-CB 3.45Å; L150-C154 PolarHBondContact O-N 3.27Å; L150-C154 PolarHBondContact O-SG 2.99Å
151	Q	80.5	Confident	78.5	Confident	84 Å²	84	50.1 Å²	50.1	39%	0.393	25%	0.252	S	S	.	.	H	α-helix	trans	-55.8	-43.6	178.8	-177.1	179.5	2.4	0	0	111.5	V146 N149 T155	V146-Q151 WeakPolarHBondContact O-CB 3.38Å; V146-Q151 PolarHBondContact O-N 3.14Å; N149-Q151 PolarHBondContact O-N 2.89Å; Q151-T155 PolarHBondContact O-OG1 2.92Å
152	Y	76.2	Confident	78.8	Confident	40 Å²	40	46 Å²	46	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-84.2	-44	178.8	-172.7	-85.4	0	0	0	112.5	N149 L150 C154 T155 H156 E219 K222 V223	N149-Y152 PolarHBondContact O-N 3.34Å; L150-Y152 VanDerWaalsContact C-N 3.25Å; L150-Y152 PolarHBondContact O-N 2.92Å; Y152-C154 PolarHBondContact O-N 2.91Å; Y152-T155 PolarHBondContact O-N 2.89Å; Y152-T155 PolarHBondContact O-OG1 3.48Å; Y152-H156 AromaticContact CD2-CD2 3.88Å; Y152-H156 HydrophobicContact CE1-CB 4.35Å; Y152-H156 AromaticContact CE1-CD2 3.91Å; Y152-H156 AromaticContact CE2-CD2 3.52Å; Y152-H156 AromaticContact CE2-NE2 3.92Å; Y152-H156 AromaticContact CZ-CD2 3.5Å; Y152-H156 VanDerWaalsContact CZ-CD2 3.5Å; Y152-H156 PolarHBondContact O-CD2 2.98Å; Y152-H156 PolarHBondContact O-N 3.45Å; Y152-E219 PolarHBondContact OH-OE2 3.5Å; Y152-K222 HydrophobicContact CE1-CB 4.21Å; Y152-K222 HydrophobicContact CE2-CB 3.78Å; Y152-K222 HydrophobicContact CE2-CD 4.34Å; Y152-K222 VanDerWaalsContact CZ-CB 3.44Å; Y152-K222 WeakPolarHBondContact OH-CB 3.5Å; Y152-K222 WeakPolarHBondContact OH-CD 3.42Å; Y152-V223 HydrophobicContact CD1-CG2 3.5Å; Y152-V223 HydrophobicContact CE1-CG2 3.58Å
153	G	77.4	Confident	78.9	Confident	5 Å²	5	48.1 Å²	48.1	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-43	-177.8	0	0	0	0	0	112.5	N149 L150 T155 H156 V157	N149-G153 PolarHBondContact O-N 3.37Å; L150-G153 PolarHBondContact O-N 2.88Å; G153-T155 VanDerWaalsContact C-N 3.32Å; G153-T155 PolarHBondContact O-N 3.44Å; G153-H156 PolarHBondContact O-N 3.47Å; G153-V157 VanDerWaalsContact O-CB 3.31Å; G153-V157 WeakPolarHBondContact O-CB 3.5Å; G153-V157 WeakPolarHBondContact O-CG2 3.38Å; G153-V157 PolarHBondContact O-N 3.26Å
154	C	83.4	Confident	79.3	Confident	16 Å²	16	49.5 Å²	49.5	11%	0.108	25%	0.254	C	S	.	.	H	α-helix	trans	-77.8	-13.8	-173.7	-66.4	0	0	0	0	114.9	C119 Y122 L150 Y152	C119-C154 WeakPolarHBondContact CA-SG 3.37Å; C119-C154 HydrophobicContact CB-CB 3.66Å; C119-C154 WeakPolarHBondContact CB-SG 3.49Å; C119-C154 WeakPolarHBondContact SG-CA 3.38Å; C119-C154 WeakPolarHBondContact SG-CB 3.49Å; C119-C154 CovalentContact SG-SG 2.04Å; C119-C154 PolarHBondContact SG-SG 3.3Å; Y122-C154 HydrophobicContact CD1-CB 4.12Å; L150-C154 VanDerWaalsContact O-CB 3.23Å; L150-C154 WeakPolarHBondContact O-CB 3.45Å; L150-C154 PolarHBondContact O-N 3.27Å; L150-C154 PolarHBondContact O-SG 2.99Å; Y152-C154 PolarHBondContact O-N 2.91Å
155	T	76.3	Confident	79.7	Confident	94 Å²	94	48.2 Å²	48.2	58%	0.577	25%	0.249	S	C	*	.	H	α-helix	trans	-89	-27.8	174.7	47.4	0	0	0	0	113	Q151 Y152 G153	Q151-T155 PolarHBondContact O-OG1 2.92Å; Y152-T155 PolarHBondContact O-N 2.89Å; Y152-T155 PolarHBondContact O-OG1 3.48Å; G153-T155 VanDerWaalsContact C-N 3.32Å; G153-T155 PolarHBondContact O-N 3.44Å
156	H	69.1	Low	79.8	Confident	89 Å²	89	48.5 Å²	48.5	41%	0.412	25%	0.25	S	C	.	.	H	α-helix	trans	-117.4	-1.4	-168.4	-62.4	-60.8	0	0	0	115.8	Y152 G153 S158 E219	Y152-H156 AromaticContact CD2-CD2 3.88Å; Y152-H156 HydrophobicContact CE1-CB 4.35Å; Y152-H156 AromaticContact CE1-CD2 3.91Å; Y152-H156 AromaticContact CE2-CD2 3.52Å; Y152-H156 AromaticContact CE2-NE2 3.92Å; Y152-H156 AromaticContact CZ-CD2 3.5Å; Y152-H156 VanDerWaalsContact CZ-CD2 3.5Å; Y152-H156 PolarHBondContact O-CD2 2.98Å; Y152-H156 PolarHBondContact O-N 3.45Å; G153-H156 PolarHBondContact O-N 3.47Å; H156-S158 PolarHBondContact O-N 3.14Å; H156-E219 WeakPolarHBondContact CB-OE2 3.39Å; H156-E219 IonicContact CG-OE2 3.67Å
157	V	67.6	Low	79.9	Confident	50 Å²	50	52.9 Å²	52.9	30%	0.303	27%	0.27	S	S	.	.			trans	-79.4	118	-177.9	167.4	0	0	0	0	111.8	Y112 L115 G153 Q162	Y112-V157 HydrophobicContact CD2-CG1 4.3Å; Y112-V157 HydrophobicContact CE2-CG1 4.22Å; L115-V157 HydrophobicContact CD2-CB 4.35Å; L115-V157 HydrophobicContact CD2-CG1 3.77Å; L115-V157 HydrophobicContact CD2-CG2 3.86Å; G153-V157 VanDerWaalsContact O-CB 3.31Å; G153-V157 WeakPolarHBondContact O-CB 3.5Å; G153-V157 WeakPolarHBondContact O-CG2 3.38Å; G153-V157 PolarHBondContact O-N 3.26Å; V157-Q162 HydrophobicContact CG1-CB 4.18Å
158	S	76.1	Confident	80.5	Confident	48 Å²	48	50 Å²	50	34%	0.336	26%	0.256	S	S	.	.			trans	-103.3	146.6	162.7	80.2	0	0	0	0	110.7	H156 K160 K161 Q162	H156-S158 PolarHBondContact O-N 3.14Å; S158-K160 PolarHBondContact O-N 3.39Å; S158-K161 PolarHBondContact O-N 3.31Å; S158-K161 WeakPolarHBondContact OG-CB 3.38Å; S158-K161 VanDerWaalsContact OG-CG 3.26Å; S158-K161 WeakPolarHBondContact OG-CG 3Å; S158-K161 PolarHBondContact OG-N 3.34Å; S158-Q162 PolarHBondContact O-N 3.39Å
159	Q	80.7	Confident	81.1	Confident	119 Å²	119	50 Å²	50	56%	0.556	26%	0.256	S	S	*	.	H	α-helix	trans	-54.6	-41.6	179.6	-174.1	179	5.6	0	0	112.3	Y112 S163	Y112-Q159 HydrophobicContact CD1-CB 4.26Å; Y112-Q159 HydrophobicContact CD1-CG 3.75Å; Y112-Q159 HydrophobicContact CD2-CB 4.05Å; Y112-Q159 HydrophobicContact CD2-CG 4.2Å; Y112-Q159 HydrophobicContact CE1-CB 3.95Å; Y112-Q159 HydrophobicContact CE1-CG 3.82Å; Y112-Q159 HydrophobicContact CE2-CB 3.74Å; Y112-Q159 HydrophobicContact CE2-CG 4.28Å; Y112-Q159 HydrophobicContact CG-CB 4.3Å; Y112-Q159 HydrophobicContact CG-CG 3.94Å; Q159-S163 WeakPolarHBondContact O-CB 3.31Å; Q159-S163 PolarHBondContact O-N 3.1Å; Q159-S163 PolarHBondContact O-OG 3.03Å
160	K	82.5	Confident	81.4	Confident	187 Å²	187	56.4 Å²	56.4	81%	0.813	28%	0.284	S	S	*	.	H	α-helix	trans	-63.7	-46.8	179.2	-171.6	178.4	-179.6	-179.2	0	111.8	S158 C164	S158-K160 PolarHBondContact O-N 3.39Å; K160-C164 PolarHBondContact O-N 3.19Å; K160-C164 VanDerWaalsContact O-N 3.13Å
161	K	82.7	Confident	81.5	Confident	71 Å²	71	61.8 Å²	61.8	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-48.5	179.1	-72.5	179.8	-179.9	-175.2	0	111	S158 S163 C164 I165 V216	S158-K161 PolarHBondContact O-N 3.31Å; S158-K161 WeakPolarHBondContact OG-CB 3.38Å; S158-K161 VanDerWaalsContact OG-CG 3.26Å; S158-K161 WeakPolarHBondContact OG-CG 3Å; S158-K161 PolarHBondContact OG-N 3.34Å; K161-S163 VanDerWaalsContact C-N 3.35Å; K161-S163 PolarHBondContact O-N 3.09Å; K161-C164 PolarHBondContact O-N 3.02Å; K161-I165 WeakPolarHBondContact O-CD1 3.26Å; K161-I165 VanDerWaalsContact O-CG1 3.28Å; K161-I165 WeakPolarHBondContact O-CG1 3.32Å; K161-I165 PolarHBondContact O-N 3.47Å; K161-V216 HydrophobicContact CB-CG2 4.32Å; K161-V216 HydrophobicContact CD-CG2 4.39Å; K161-V216 HydrophobicContact CG-CG2 3.94Å
162	Q	81.9	Confident	81.9	Confident	7 Å²	7	59.1 Å²	59.1	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-44.7	-179.4	-172.9	65.8	5.1	0	0	111.7	L107 L110 Y112 L115 V157 S158 C164 I165 Q166	L107-Q162 PolarHBondContact O-NE2 3.44Å; L107-Q162 VanDerWaalsContact O-NE2 3.14Å; L110-Q162 PolarHBondContact O-NE2 2.81Å; Y112-Q162 HydrophobicContact CD2-CB 4.39Å; L115-Q162 HydrophobicContact CD2-CG 4.27Å; V157-Q162 HydrophobicContact CG1-CB 4.18Å; S158-Q162 PolarHBondContact O-N 3.39Å; Q162-C164 VanDerWaalsContact C-N 3.31Å; Q162-C164 PolarHBondContact O-N 3.33Å; Q162-I165 PolarHBondContact O-N 3.29Å; Q162-Q166 WeakPolarHBondContact O-CB 3.23Å; Q162-Q166 VanDerWaalsContact O-CG 3.31Å; Q162-Q166 WeakPolarHBondContact O-CG 3.18Å; Q162-Q166 PolarHBondContact O-N 3.49Å
163	S	84.9	Confident	82.3	Confident	58 Å²	58	64.5 Å²	64.5	41%	0.406	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-40.4	178.4	-56.3	0	0	0	0	111.7	Q159 K161 H167	Q159-S163 WeakPolarHBondContact O-CB 3.31Å; Q159-S163 PolarHBondContact O-N 3.1Å; Q159-S163 PolarHBondContact O-OG 3.03Å; K161-S163 VanDerWaalsContact C-N 3.35Å; K161-S163 PolarHBondContact O-N 3.09Å; S163-H167 WeakPolarHBondContact O-CB 3.06Å; S163-H167 PolarHBondContact O-N 2.9Å
164	C	88.7	Confident	82.7	Confident	31 Å²	31	73.6 Å²	73.6	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-64.4	-48.5	176.4	-165.7	0	0	0	0	112	K160 K161 Q162 Q166 H167 S168 C212	K160-C164 PolarHBondContact O-N 3.19Å; K160-C164 VanDerWaalsContact O-N 3.13Å; K161-C164 PolarHBondContact O-N 3.02Å; Q162-C164 VanDerWaalsContact C-N 3.31Å; Q162-C164 PolarHBondContact O-N 3.33Å; C164-Q166 VanDerWaalsContact C-N 3.35Å; C164-Q166 PolarHBondContact O-N 2.92Å; C164-H167 PolarHBondContact O-N 3.1Å; C164-H167 VanDerWaalsContact O-N 3.15Å; C164-S168 PolarHBondContact O-N 3.15Å; C164-S168 PolarHBondContact O-OG 3.41Å; C164-C212 HydrophobicContact CB-CB 4.02Å; C164-C212 WeakPolarHBondContact CB-SG 3.12Å; C164-C212 WeakPolarHBondContact SG-CA 2.93Å; C164-C212 WeakPolarHBondContact SG-CB 3.17Å; C164-C212 CovalentContact SG-SG 2.04Å; C164-C212 PolarHBondContact SG-SG 3.03Å
165	I	86.1	Confident	82.8	Confident	17 Å²	17	72.9 Å²	72.9	9%	0.087	35%	0.349	C	S	.	.	H	α-helix	trans	-57.5	-49.2	178.1	-65.2	157.9	0	0	0	110.2	Y108 K161 Q162 H167 S168 L169 L208 V216	Y108-I165 HydrophobicContact CD1-CG2 3.62Å; Y108-I165 HydrophobicContact CE1-CD1 4.23Å; Y108-I165 HydrophobicContact CE1-CG2 3.74Å; K161-I165 WeakPolarHBondContact O-CD1 3.26Å; K161-I165 VanDerWaalsContact O-CG1 3.28Å; K161-I165 WeakPolarHBondContact O-CG1 3.32Å; K161-I165 PolarHBondContact O-N 3.47Å; Q162-I165 PolarHBondContact O-N 3.29Å; I165-H167 VanDerWaalsContact C-N 3.27Å; I165-H167 PolarHBondContact O-N 3.24Å; I165-S168 PolarHBondContact O-N 2.03Å; I165-L169 HydrophobicContact CG2-CD1 3.71Å; I165-L169 HydrophobicContact CG2-CG 4.21Å; I165-L169 WeakPolarHBondContact O-CB 3.4Å; I165-L169 VanDerWaalsContact O-CG 3.25Å; I165-L169 WeakPolarHBondContact O-CG 3.4Å; I165-L169 PolarHBondContact O-N 2.8Å; I165-L208 HydrophobicContact CB-CD1 4.45Å; I165-L208 HydrophobicContact CG1-CD1 4.1Å; I165-V216 HydrophobicContact CD1-CG1 3.79Å; I165-V216 HydrophobicContact CG1-CG1 3.4Å; I165-V216 VanDerWaalsContact CG1-CG1 3.4Å
166	Q	85	Confident	83.1	Confident	31 Å²	31	70 Å²	70	15%	0.145	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-37.3	179.1	-72.2	-162.3	-51.4	0	0	112.9	L110 Q162 C164 K170	L110-Q166 PolarHBondContact O-NE2 3.37Å; Q162-Q166 WeakPolarHBondContact O-CB 3.23Å; Q162-Q166 VanDerWaalsContact O-CG 3.31Å; Q162-Q166 WeakPolarHBondContact O-CG 3.18Å; Q162-Q166 PolarHBondContact O-N 3.49Å; C164-Q166 VanDerWaalsContact C-N 3.35Å; C164-Q166 PolarHBondContact O-N 2.92Å; Q166-K170 WeakPolarHBondContact O-CB 3.22Å; Q166-K170 VanDerWaalsContact O-CG 3.29Å; Q166-K170 WeakPolarHBondContact O-CG 3.48Å; Q166-K170 PolarHBondContact O-N 3.12Å
167	H	86	Confident	83.7	Confident	91 Å²	91	68.1 Å²	68.1	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-68.2	-46	178	-163.8	21.4	0	0	0	111.3	S163 C164 I165 L169 K170 E171 R211	S163-H167 WeakPolarHBondContact O-CB 3.06Å; S163-H167 PolarHBondContact O-N 2.9Å; C164-H167 PolarHBondContact O-N 3.1Å; C164-H167 VanDerWaalsContact O-N 3.15Å; I165-H167 VanDerWaalsContact C-N 3.27Å; I165-H167 PolarHBondContact O-N 3.24Å; H167-L169 VanDerWaalsContact C-N 3.31Å; H167-L169 PolarHBondContact O-N 3.26Å; H167-K170 PolarHBondContact O-N 3.07Å; H167-E171 IonicContact CE1-OE1 3.39Å; H167-E171 PolarHBondContact CE1-OE1 3.21Å; H167-E171 VanDerWaalsContact CE1-OE1 3.25Å; H167-E171 IonicContact ND1-OE1 3.62Å; H167-E171 IonicContact NE2-OE1 3.69Å; H167-E171 PolarHBondContact O-N 2.87Å; H167-E171 VanDerWaalsContact O-N 3.16Å; H167-R211 PolarHBondContact CD2-NH1 2.04Å; H167-R211 PolarHBondContact CD2-NH2 3.14Å; H167-R211 PolarHBondContact NE2-NH2 3.15Å; H167-R211 PolarHBondContact O-NH1 3.41Å
168	S	88.3	Confident	84.3	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.007	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-41	174.3	-65	0	0	0	0	112.3	C164 I165 E171 N172 R211	C164-S168 PolarHBondContact O-N 3.15Å; C164-S168 PolarHBondContact O-OG 3.41Å; I165-S168 PolarHBondContact O-N 2.03Å; S168-E171 PolarHBondContact O-N 3.47Å; S168-N172 WeakPolarHBondContact O-CB 3.34Å; S168-N172 PolarHBondContact O-N 3.44Å; S168-N172 PolarHBondContact O-ND2 3.05Å; S168-R211 WeakPolarHBondContact OG-CD 3.18Å
169	L	86.2	Confident	84.6	Confident	5 Å²	5	65.1 Å²	65.1	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-68.5	-37.3	177	-69.9	174.6	0	0	0	113	Y108 I165 H167 E171 N172 K173 L176 F200 I204	Y108-L169 HydrophobicContact CD1-CD1 4.34Å; Y108-L169 HydrophobicContact CG-CD1 4.24Å; I165-L169 HydrophobicContact CG2-CD1 3.71Å; I165-L169 HydrophobicContact CG2-CG 4.21Å; I165-L169 WeakPolarHBondContact O-CB 3.4Å; I165-L169 VanDerWaalsContact O-CG 3.25Å; I165-L169 WeakPolarHBondContact O-CG 3.4Å; I165-L169 PolarHBondContact O-N 2.8Å; H167-L169 VanDerWaalsContact C-N 3.31Å; H167-L169 PolarHBondContact O-N 3.26Å; L169-E171 VanDerWaalsContact C-N 3.28Å; L169-E171 PolarHBondContact O-N 3.04Å; L169-N172 CarbonylContact O-C 3.42Å; L169-N172 PolarHBondContact O-N 2.81Å; L169-K173 PolarHBondContact O-N 3.34Å; L169-L176 HydrophobicContact CB-CD1 4.39Å; L169-L176 HydrophobicContact CB-CD2 4.1Å; L169-L176 HydrophobicContact CB-CG 4.42Å; L169-L176 HydrophobicContact CD1-CD2 4.18Å; L169-L176 HydrophobicContact CD2-CD2 3.85Å; L169-L176 HydrophobicContact CD2-CG 4.43Å; L169-L176 HydrophobicContact CG-CD2 4.27Å; L169-F200 HydrophobicContact CD2-CE2 3.61Å; L169-F200 HydrophobicContact CD2-CZ 3.71Å; L169-I204 HydrophobicContact CD2-CD1 3.87Å; L169-I204 HydrophobicContact CD2-CG1 3.81Å
170	K	84.9	Confident	84.6	Confident	140 Å²	140	62.4 Å²	62.4	61%	0.609	31%	0.305	S	S	*	.	H	α-helix	trans	-64.4	-33	176.1	-82.2	177.9	-179.9	-179.3	0	112.8	Q166 H167 K173	Q166-K170 WeakPolarHBondContact O-CB 3.22Å; Q166-K170 VanDerWaalsContact O-CG 3.29Å; Q166-K170 WeakPolarHBondContact O-CG 3.48Å; Q166-K170 PolarHBondContact O-N 3.12Å; H167-K170 PolarHBondContact O-N 3.07Å; K170-K173 WeakPolarHBondContact O-CE 3.47Å; K170-K173 VanDerWaalsContact O-CG 3.23Å; K170-K173 WeakPolarHBondContact O-CG 3.42Å
171	E	87.7	Confident	84.2	Confident	113 Å²	113	54.8 Å²	54.8	53%	0.528	27%	0.271	S	S	.	.	H	α-helix	trans	-78.6	-34.6	174.9	-75.3	173.6	-167.7	0	0	111.7	H167 S168 L169 K173 R211	H167-E171 IonicContact CE1-OE1 3.39Å; H167-E171 PolarHBondContact CE1-OE1 3.21Å; H167-E171 VanDerWaalsContact CE1-OE1 3.25Å; H167-E171 IonicContact ND1-OE1 3.62Å; H167-E171 IonicContact NE2-OE1 3.69Å; H167-E171 PolarHBondContact O-N 2.87Å; H167-E171 VanDerWaalsContact O-N 3.16Å; S168-E171 PolarHBondContact O-N 3.47Å; L169-E171 VanDerWaalsContact C-N 3.28Å; L169-E171 PolarHBondContact O-N 3.04Å; E171-K173 PolarHBondContact O-N 3.25Å; E171-R211 IonicContact OE1-CZ 2.8Å; E171-R211 IonicContact OE1-NH1 2.81Å; E171-R211 PolarHBondContact OE1-NH1 3.43Å; E171-R211 VanDerWaalsContact OE1-NH1 3.08Å; E171-R211 IonicContact OE1-NH2 3.6Å; E171-R211 PolarHBondContact OE1-NH2 3.08Å; E171-R211 IonicContact OE2-CZ 3.23Å; E171-R211 VanDerWaalsContact OE2-CZ 3.31Å; E171-R211 IonicContact OE2-NH1 3.55Å; E171-R211 PolarHBondContact OE2-NH1 3.41Å; E171-R211 IonicContact OE2-NH2 3.11Å; E171-R211 PolarHBondContact OE2-NH2 3.33Å
172	N	88	Confident	83.5	Confident	29 Å²	29	60.9 Å²	60.9	16%	0.155	30%	0.298	C	S	.	.			trans	-102.1	50.5	-178.3	-66.1	-81.3	0	0	0	112.3	S168 L169 R174 C175 I204	S168-N172 WeakPolarHBondContact O-CB 3.34Å; S168-N172 PolarHBondContact O-N 3.44Å; S168-N172 PolarHBondContact O-ND2 3.05Å; L169-N172 CarbonylContact O-C 3.42Å; L169-N172 PolarHBondContact O-N 2.81Å; N172-R174 PolarHBondContact O-N 3.33Å; N172-C175 WeakPolarHBondContact O-CB 3.5Å; N172-C175 PolarHBondContact O-N 3.2Å; N172-I204 HydrophobicContact CB-CD1 3.52Å
173	K	84	Confident	82.7	Confident	153 Å²	153	63.2 Å²	63.2	67%	0.665	31%	0.314	S	S	*	.	H	α-helix	trans	-55.2	-29.1	-175.9	-62.9	-175.9	-177.7	172.7	0	113.9	L169 K170 E171 C175 L176	L169-K173 PolarHBondContact O-N 3.34Å; K170-K173 WeakPolarHBondContact O-CE 3.47Å; K170-K173 VanDerWaalsContact O-CG 3.23Å; K170-K173 WeakPolarHBondContact O-CG 3.42Å; E171-K173 PolarHBondContact O-N 3.25Å; K173-C175 PolarHBondContact O-N 3.32Å; K173-L176 WeakPolarHBondContact O-CB 3.27Å; K173-L176 PolarHBondContact O-N 3.31Å; K173-L176 VanDerWaalsContact O-N 3.15Å
174	R	86.6	Confident	81.6	Confident	196 Å²	196	65.9 Å²	65.9	74%	0.74	32%	0.324	S	S	*	.	H	α-helix	trans	-56.3	-36.1	176.2	67	-177.8	-176.9	-178.9	1.4	112.5	N172	N172-R174 PolarHBondContact O-N 3.33Å
175	C	86.1	Confident	80.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-74.7	-28.9	-178.9	-54	0	0	0	0	112	N172 K173 G177 S178 F200 C203 I204	N172-C175 WeakPolarHBondContact O-CB 3.5Å; N172-C175 PolarHBondContact O-N 3.2Å; K173-C175 PolarHBondContact O-N 3.32Å; C175-G177 PolarHBondContact O-N 3.26Å; C175-S178 PolarHBondContact O-N 3.43Å; C175-F200 HydrophobicContact CB-CD2 4.25Å; C175-F200 HydrophobicContact CB-CE2 4.44Å; C175-F200 WeakPolarHBondContact O-CD2 2.93Å; C175-C203 WeakPolarHBondContact CA-SG 3.43Å; C175-C203 HydrophobicContact CB-CB 3.68Å; C175-C203 WeakPolarHBondContact CB-SG 3.47Å; C175-C203 WeakPolarHBondContact SG-CB 3.04Å; C175-C203 PolarHBondContact SG-O 3.28Å; C175-C203 CovalentContact SG-SG 2.04Å; C175-C203 PolarHBondContact SG-SG 3.28Å; C175-I204 HydrophobicContact CB-CB 4.35Å; C175-I204 HydrophobicContact CB-CD1 4.31Å
176	L	82.8	Confident	78.8	Confident	35 Å²	35	68.9 Å²	68.9	18%	0.183	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-23.6	-179.2	-72.9	172.3	0	0	0	113.3	F109 L169 K173 S178 L179	F109-L176 HydrophobicContact CE1-CD2 4.25Å; F109-L176 HydrophobicContact CZ-CD2 4.21Å; L169-L176 HydrophobicContact CB-CD1 4.39Å; L169-L176 HydrophobicContact CB-CD2 4.1Å; L169-L176 HydrophobicContact CB-CG 4.42Å; L169-L176 HydrophobicContact CD1-CD2 4.18Å; L169-L176 HydrophobicContact CD2-CD2 3.85Å; L169-L176 HydrophobicContact CD2-CG 4.43Å; L169-L176 HydrophobicContact CG-CD2 4.27Å; K173-L176 WeakPolarHBondContact O-CB 3.27Å; K173-L176 PolarHBondContact O-N 3.31Å; K173-L176 VanDerWaalsContact O-N 3.15Å; L176-S178 PolarHBondContact O-N 3.45Å; L176-L179 HydrophobicContact CD2-CD1 4.28Å; L176-L179 PolarHBondContact O-N 2.81Å
177	G	80.4	Confident	77.4	Confident	48 Å²	48	73.2 Å²	73.2	50%	0.495	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-57.7	-36.5	176.8	0	0	0	0	0	112.6	C175 L179 L180	C175-G177 PolarHBondContact O-N 3.26Å; G177-L179 PolarHBondContact O-N 3.14Å; G177-L180 PolarHBondContact O-N 3.01Å
178	S	81.7	Confident	76	Confident	35 Å²	35	70.5 Å²	70.5	25%	0.245	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-70.7	-13.5	178.5	-50.5	0	0	0	0	113.5	C175 L176 L180 S196	C175-S178 PolarHBondContact O-N 3.43Å; L176-S178 PolarHBondContact O-N 3.45Å; S178-L180 VanDerWaalsContact C-N 3.34Å; S178-S196 WeakPolarHBondContact CB-O 3.4Å; S178-S196 WeakPolarHBondContact O-CB 3.17Å
179	L	82.6	Confident	74.7	Confident	0 Å²	0	73 Å²	73	0%	0	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-89.5	2.3	175.9	-71.9	-178.2	0	0	0	113.9	A103 I104 L105 Y108 F109 L176 G177 L197 F200	A103-L179 CarbonylContact C-O 3.45Å; A103-L179 WeakPolarHBondContact CA-O 3.5Å; I104-L179 PolarHBondContact N-O 3.21Å; L105-L179 HydrophobicContact CB-CD2 4.47Å; L105-L179 HydrophobicContact CD1-CD2 4.24Å; L105-L179 HydrophobicContact CG-CD2 4.46Å; Y108-L179 HydrophobicContact CD2-CD1 4.5Å; F109-L179 HydrophobicContact CE2-CB 4.1Å; F109-L179 HydrophobicContact CE2-CD1 4.35Å; F109-L179 HydrophobicContact CZ-CB 4.11Å; L176-L179 HydrophobicContact CD2-CD1 4.28Å; L176-L179 PolarHBondContact O-N 2.81Å; G177-L179 PolarHBondContact O-N 3.14Å; L179-L197 HydrophobicContact CD2-CD2 3.69Å; L179-F200 HydrophobicContact CD1-CD1 4.17Å; L179-F200 HydrophobicContact CD1-CD2 3.79Å; L179-F200 HydrophobicContact CD1-CE1 3.93Å; L179-F200 HydrophobicContact CD1-CE2 3.54Å; L179-F200 HydrophobicContact CD1-CG 4.09Å; L179-F200 HydrophobicContact CD1-CZ 3.6Å; L179-F200 HydrophobicContact CD2-CB 3.97Å; L179-F200 HydrophobicContact CD2-CD1 3.66Å; L179-F200 HydrophobicContact CD2-CD2 4.14Å; L179-F200 HydrophobicContact CD2-CE1 4.15Å; L179-F200 HydrophobicContact CD2-CG 3.64Å; L179-F200 HydrophobicContact CG-CB 4.17Å; L179-F200 HydrophobicContact CG-CD1 4.03Å; L179-F200 HydrophobicContact CG-CD2 3.61Å; L179-F200 HydrophobicContact CG-CE1 4.31Å; L179-F200 HydrophobicContact CG-CE2 3.93Å; L179-F200 HydrophobicContact CG-CG 3.65Å; L179-F200 HydrophobicContact CG-CZ 4.26Å
180	L	80.3	Confident	74	Confident	63 Å²	63	79.7 Å²	79.7	33%	0.33	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-103.2	123.1	178.4	-62.8	174.8	0	0	0	109.9	R102 F109 G177 S178 K182	R102-L180 CarbonylContact O-C 3.32Å; R102-L180 WeakPolarHBondContact O-CA 3.21Å; F109-L180 HydrophobicContact CZ-CD2 4.19Å; G177-L180 PolarHBondContact O-N 3.01Å; S178-L180 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 3.15Å
181	R	73	Confident	73.3	Confident	26 Å²	26	78.8 Å²	78.8	10%	0.098	39%	0.392	C	S	.	.			trans	-59.2	135.5	174.3	-67.1	-174.7	174.7	147.8	-6.8	110.4	R102 I104 S183 D193 Y227	R102-R181 PolarHBondContact NE-O 3.12Å; R102-R181 PolarHBondContact NH2-O 3.25Å; R102-R181 WeakPolarHBondContact O-CG 3.26Å; R102-R181 PolarHBondContact O-N 3.33Å; I104-R181 HydrophobicContact CD1-CG 4.43Å; I104-R181 HydrophobicContact CG1-CG 3.64Å; R181-S183 VanDerWaalsContact C-N 3.31Å; R181-S183 WeakPolarHBondContact CB-O 3.32Å; R181-D193 IonicContact CZ-OD2 2.97Å; R181-D193 IonicContact NE-OD1 3.31Å; R181-D193 IonicContact NE-OD2 3.88Å; R181-D193 PolarHBondContact NE-OD2 3.23Å; R181-D193 VanDerWaalsContact NE-OD2 3.11Å; R181-D193 IonicContact NH2-OD2 3.39Å; R181-D193 PolarHBondContact NH2-OD2 3.11Å; R181-Y227 PolarHBondContact NH2-OH 3.27Å
182	K	68.3	Low	72.8	Confident	200 Å²	200	81.7 Å²	81.7	87%	0.87	40%	0.4	S	S	*	.	S	Bend	trans	-69.5	-32.1	173.1	-67.2	-177.5	-179.1	175.1	0	111.6	R102 L180	R102-K182 PolarHBondContact NH2-O 2.78Å; L180-K182 PolarHBondContact O-N 3.15Å
183	S	64.4	Low	72.4	Confident	55 Å²	55	80.9 Å²	80.9	39%	0.385	40%	0.396	S	S	.	.	S	Bend	trans	-104.6	149.6	176.4	-179.8	0	0	0	0	111.4	R181 D185	R181-S183 VanDerWaalsContact C-N 3.31Å; R181-S183 WeakPolarHBondContact CB-O 3.32Å; S183-D185 VanDerWaalsContact C-N 3.27Å; S183-D185 WeakPolarHBondContact OG-CB 3.46Å; S183-D185 PolarHBondContact OG-N 2.88Å; S183-D185 VanDerWaalsContact OG-N 3.08Å
184	D	62.3	Low	72.4	Confident	115 Å²	115	74.2 Å²	74.2	62%	0.615	37%	0.368	S	S	*	.	S	Bend	trans	-81.4	-6.7	170.1	-73.8	-29.9	0	0	0	112.5	R102 P186	R102-D184 VanDerWaalsContact CD-OD1 3.25Å; R102-D184 WeakPolarHBondContact CD-OD1 3.44Å; R102-D184 WeakPolarHBondContact CG-OD1 3.25Å; R102-D184 IonicContact NE-OD1 2.76Å; D184-P186 VanDerWaalsContact O-CD 3.25Å; D184-P186 WeakPolarHBondContact O-CD 3.25Å
185	D	60	Low	72.2	Confident	77 Å²	77	68.7 Å²	68.7	41%	0.412	35%	0.35	S	S	.	.			trans	-78	111.2	175.2	179.6	4.3	0	0	0	110.3	S183 F187 A188	S183-D185 VanDerWaalsContact C-N 3.27Å; S183-D185 WeakPolarHBondContact OG-CB 3.46Å; S183-D185 PolarHBondContact OG-N 2.88Å; S183-D185 VanDerWaalsContact OG-N 3.08Å; D185-F187 PolarHBondContact O-N 2.89Å; D185-F187 WeakPolarHBondContact OD1-CB 3.19Å; D185-F187 PolarHBondContact OD1-N 3.49Å; D185-A188 HydrophobicContact CB-CB 3.91Å; D185-A188 WeakPolarHBondContact O-CB 3.14Å; D185-A188 PolarHBondContact O-N 3.12Å
186	P	55.4	Low	72.1	Confident	33 Å²	33	69.7 Å²	69.7	21%	0.214	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.9	-179.7	30.2	-34.4	0	0	0	113.5	D184	D184-P186 VanDerWaalsContact O-CD 3.25Å; D184-P186 WeakPolarHBondContact O-CD 3.25Å
187	F	55.9	Low	72.2	Confident	123 Å²	123	68 Å²	68	54%	0.539	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-5.1	177.1	-56.1	-78.6	0	0	0	113	D185 S189	D185-F187 PolarHBondContact O-N 2.89Å; D185-F187 WeakPolarHBondContact OD1-CB 3.19Å; D185-F187 PolarHBondContact OD1-N 3.49Å; F187-S189 PolarHBondContact O-N 3.35Å
188	A	57.3	Low	72.3	Confident	34 Å²	34	66 Å²	66	28%	0.281	33%	0.327	S	S	.	.	S	Bend	trans	-63.2	108.4	177.5	0	0	0	0	0	110.5	D185	D185-A188 HydrophobicContact CB-CB 3.91Å; D185-A188 WeakPolarHBondContact O-CB 3.14Å; D185-A188 PolarHBondContact O-N 3.12Å
189	S	61	Low	72.4	Confident	54 Å²	54	68 Å²	68	38%	0.378	33%	0.334	S	S	.	.			trans	13.1	103.8	-177	178.6	0	0	0	0	115.9	F187 E191 Y192	F187-S189 PolarHBondContact O-N 3.35Å; S189-E191 PolarHBondContact O-N 2.95Å; S189-E191 VanDerWaalsContact OG-CB 3.3Å; S189-E191 WeakPolarHBondContact OG-CB 3.34Å; S189-E191 PolarHBondContact OG-N 2.9Å; S189-Y192 PolarHBondContact O-N 3.4Å
190	R	70.9	Confident	72.6	Confident	144 Å²	144	68.1 Å²	68.1	54%	0.543	34%	0.335	S	S	.	.	H	α-helix	trans	-42.3	-27.2	167.2	-177.8	-178.9	-107.1	165.1	-3.8	113.2	D193 C194	R190-D193 PolarHBondContact O-N 2.99Å; R190-C194 PolarHBondContact O-N 2.86Å; R190-C194 PolarHBondContact O-SG 3.24Å
191	E	70.5	Confident	72.9	Confident	121 Å²	121	66 Å²	66	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-63.2	-40.2	175.6	-168.7	169	-161.7	0	0	113.4	S189 C194 Q195 K233	S189-E191 PolarHBondContact O-N 2.95Å; S189-E191 VanDerWaalsContact OG-CB 3.3Å; S189-E191 WeakPolarHBondContact OG-CB 3.34Å; S189-E191 PolarHBondContact OG-N 2.9Å; E191-C194 PolarHBondContact O-N 3.18Å; E191-Q195 PolarHBondContact O-N 3.21Å; E191-K233 IonicContact OE1-NZ 2.96Å; E191-K233 PolarHBondContact OE1-NZ 2.59Å
192	Y	76.5	Confident	73.3	Confident	175 Å²	175	67.7 Å²	67.7	69%	0.686	34%	0.339	S	S	*	.	H	α-helix	trans	-68.5	-38.6	175.7	-75.2	-67.5	0	0	0	112	S189 C194 Q195 S196	S189-Y192 PolarHBondContact O-N 3.4Å; Y192-C194 VanDerWaalsContact C-N 3.32Å; Y192-Q195 PolarHBondContact O-N 3.08Å; Y192-S196 WeakPolarHBondContact O-CB 3.38Å; Y192-S196 PolarHBondContact O-N 3.35Å; Y192-S196 PolarHBondContact O-OG 2.8Å
193	D	81.5	Confident	74.1	Confident	12 Å²	12	60 Å²	60	6%	0.064	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-43.8	174.6	-80.6	-3.7	0	0	0	110.2	I104 R181 R190 S196 L197 Y227	I104-D193 HydrophobicContact CD1-CB 4.26Å; I104-D193 HydrophobicContact CG2-CB 4.23Å; R181-D193 IonicContact CZ-OD2 2.97Å; R181-D193 IonicContact NE-OD1 3.31Å; R181-D193 IonicContact NE-OD2 3.88Å; R181-D193 PolarHBondContact NE-OD2 3.23Å; R181-D193 VanDerWaalsContact NE-OD2 3.11Å; R181-D193 IonicContact NH2-OD2 3.39Å; R181-D193 PolarHBondContact NH2-OD2 3.11Å; R190-D193 PolarHBondContact O-N 2.99Å; D193-S196 PolarHBondContact O-N 3.12Å; D193-L197 VanDerWaalsContact O-CG 3.3Å; D193-L197 WeakPolarHBondContact O-CG 3.46Å; D193-L197 PolarHBondContact O-N 2.86Å; D193-Y227 HydrophobicContact CB-CE1 3.73Å; D193-Y227 PolarHBondContact OD2-OH 3.16Å
194	C	83.3	Confident	75.3	Confident	12 Å²	12	57.3 Å²	57.3	8%	0.081	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-42	176.4	-69.3	0	0	0	0	113	R190 E191 Y192 S196 L197 Y198 C229	R190-C194 PolarHBondContact O-N 2.86Å; R190-C194 PolarHBondContact O-SG 3.24Å; E191-C194 PolarHBondContact O-N 3.18Å; Y192-C194 VanDerWaalsContact C-N 3.32Å; C194-S196 VanDerWaalsContact C-N 3.3Å; C194-S196 PolarHBondContact O-N 3.49Å; C194-L197 WeakPolarHBondContact O-CB 3.4Å; C194-L197 PolarHBondContact O-N 3.37Å; C194-Y198 HydrophobicContact CB-CE2 4.22Å; C194-Y198 WeakPolarHBondContact O-CD1 3.3Å; C194-Y198 VanDerWaalsContact O-CD2 3.23Å; C194-Y198 WeakPolarHBondContact O-CD2 3.46Å; C194-Y198 PolarHBondContact O-N 3.37Å; C194-C229 WeakPolarHBondContact CA-SG 3.4Å; C194-C229 HydrophobicContact CB-CB 3.76Å; C194-C229 WeakPolarHBondContact CB-SG 3.37Å; C194-C229 WeakPolarHBondContact SG-CA 3.4Å; C194-C229 WeakPolarHBondContact SG-CB 3.05Å; C194-C229 CovalentContact SG-SG 2.04Å; C194-C229 PolarHBondContact SG-SG 3Å
195	Q	81.9	Confident	76.2	Confident	80 Å²	80	53.6 Å²	53.6	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-44	174.2	-173.7	58.7	47.9	0	0	111.5	E191 Y192 L197 Y198 D199	E191-Q195 PolarHBondContact O-N 3.21Å; Y192-Q195 PolarHBondContact O-N 3.08Å; Q195-L197 VanDerWaalsContact C-N 3.29Å; Q195-L197 PolarHBondContact O-N 3.45Å; Q195-Y198 WeakPolarHBondContact O-CB 3.42Å; Q195-Y198 PolarHBondContact O-N 2.91Å; Q195-Y198 VanDerWaalsContact O-N 3.12Å; Q195-D199 PolarHBondContact NE2-OD1 3.06Å; Q195-D199 VanDerWaalsContact O-CG 3.29Å; Q195-D199 PolarHBondContact O-N 3.41Å
196	S	84.4	Confident	77.2	Confident	22 Å²	22	56.6 Å²	56.6	15%	0.154	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-33.9	179.8	-49.8	0	0	0	0	111.8	S178 Y192 D193 C194 F200	S178-S196 WeakPolarHBondContact CB-O 3.4Å; S178-S196 WeakPolarHBondContact O-CB 3.17Å; Y192-S196 WeakPolarHBondContact O-CB 3.38Å; Y192-S196 PolarHBondContact O-N 3.35Å; Y192-S196 PolarHBondContact O-OG 2.8Å; D193-S196 PolarHBondContact O-N 3.12Å; C194-S196 VanDerWaalsContact C-N 3.3Å; C194-S196 PolarHBondContact O-N 3.49Å; S196-F200 WeakPolarHBondContact O-CB 3.48Å; S196-F200 PolarHBondContact O-N 2.84Å
197	L	85.2	Confident	78.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-37.1	171.4	-73.3	172.5	0	0	0	113	I104 L105 L179 D193 C194 Q195 F200 F201 Y227	I104-L197 HydrophobicContact CG2-CD1 3.93Å; I104-L197 HydrophobicContact CG2-CD2 3.89Å; I104-L197 HydrophobicContact CG2-CG 3.89Å; L105-L197 HydrophobicContact CD1-CD2 3.44Å; L105-L197 VanDerWaalsContact CD1-CD2 3.44Å; L105-L197 HydrophobicContact CG-CD2 3.8Å; L179-L197 HydrophobicContact CD2-CD2 3.69Å; D193-L197 VanDerWaalsContact O-CG 3.3Å; D193-L197 WeakPolarHBondContact O-CG 3.46Å; D193-L197 PolarHBondContact O-N 2.86Å; C194-L197 WeakPolarHBondContact O-CB 3.4Å; C194-L197 PolarHBondContact O-N 3.37Å; Q195-L197 VanDerWaalsContact C-N 3.29Å; Q195-L197 PolarHBondContact O-N 3.45Å; L197-F200 PolarHBondContact O-N 3.26Å; L197-F201 WeakPolarHBondContact O-CB 3.47Å; L197-F201 PolarHBondContact O-N 3.38Å; L197-Y227 HydrophobicContact CD1-CD1 3.69Å; L197-Y227 HydrophobicContact CD1-CE1 4.23Å; L197-Y227 HydrophobicContact CD1-CG 3.87Å
198	Y	82.5	Confident	80.1	Confident	6 Å²	6	51 Å²	51	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-67.8	-46.1	174.9	-56.9	-28.9	0	0	0	111.4	C194 Q195 F200 F201 S202 V224 C229 S230 K233 L234	C194-Y198 HydrophobicContact CB-CE2 4.22Å; C194-Y198 WeakPolarHBondContact O-CD1 3.3Å; C194-Y198 VanDerWaalsContact O-CD2 3.23Å; C194-Y198 WeakPolarHBondContact O-CD2 3.46Å; C194-Y198 PolarHBondContact O-N 3.37Å; Q195-Y198 WeakPolarHBondContact O-CB 3.42Å; Q195-Y198 PolarHBondContact O-N 2.91Å; Q195-Y198 VanDerWaalsContact O-N 3.12Å; Y198-F200 VanDerWaalsContact C-N 3.26Å; Y198-F200 PolarHBondContact O-N 2.98Å; Y198-F201 PolarHBondContact O-N 3.31Å; Y198-F201 VanDerWaalsContact O-N 3.12Å; Y198-S202 PolarHBondContact O-N 2.87Å; Y198-S202 PolarHBondContact O-OG 2.79Å; Y198-V224 HydrophobicContact CE1-CG1 4.05Å; Y198-C229 HydrophobicContact CE1-CB 4.06Å; Y198-C229 WeakPolarHBondContact OH-CB 3.2Å; Y198-S230 VanDerWaalsContact OH-C 3.25Å; Y198-S230 PolarHBondContact OH-N 3.49Å; Y198-S230 PolarHBondContact OH-O 3.35Å; Y198-K233 HydrophobicContact CD2-CB 4.06Å; Y198-K233 HydrophobicContact CE2-CB 3.54Å; Y198-K233 HydrophobicContact CE2-CD 4.21Å; Y198-K233 HydrophobicContact CE2-CG 4.45Å; Y198-L234 HydrophobicContact CD1-CB 4.37Å; Y198-L234 HydrophobicContact CD1-CD1 3.24Å; Y198-L234 HydrophobicContact CD1-CG 3.48Å; Y198-L234 VanDerWaalsContact CD1-CG 3.48Å; Y198-L234 HydrophobicContact CE1-CD1 3.35Å; Y198-L234 HydrophobicContact CE1-CG 3.95Å; Y198-L234 HydrophobicContact CG-CD1 4.36Å; Y198-L234 HydrophobicContact CG-CG 4.17Å
199	D	83.3	Confident	81.4	Confident	75 Å²	75	52.1 Å²	52.1	40%	0.401	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-41	175.8	-62	-12	0	0	0	110.9	Q195 C203	Q195-D199 PolarHBondContact NE2-OD1 3.06Å; Q195-D199 VanDerWaalsContact O-CG 3.29Å; Q195-D199 PolarHBondContact O-N 3.41Å; D199-C203 WeakPolarHBondContact O-CB 3.44Å; D199-C203 PolarHBondContact O-N 2.88Å; D199-C203 VanDerWaalsContact O-N 3.15Å
200	F	87.7	Confident	82.4	Confident	3 Å²	3	55 Å²	55	1%	0.013	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-49.7	173	169.5	-110.7	0	0	0	112	L169 C175 L179 S196 L197 Y198 C203 I204 L220	L169-F200 HydrophobicContact CD2-CE2 3.61Å; L169-F200 HydrophobicContact CD2-CZ 3.71Å; C175-F200 HydrophobicContact CB-CD2 4.25Å; C175-F200 HydrophobicContact CB-CE2 4.44Å; C175-F200 WeakPolarHBondContact O-CD2 2.93Å; L179-F200 HydrophobicContact CD1-CD1 4.17Å; L179-F200 HydrophobicContact CD1-CD2 3.79Å; L179-F200 HydrophobicContact CD1-CE1 3.93Å; L179-F200 HydrophobicContact CD1-CE2 3.54Å; L179-F200 HydrophobicContact CD1-CG 4.09Å; L179-F200 HydrophobicContact CD1-CZ 3.6Å; L179-F200 HydrophobicContact CD2-CB 3.97Å; L179-F200 HydrophobicContact CD2-CD1 3.66Å; L179-F200 HydrophobicContact CD2-CD2 4.14Å; L179-F200 HydrophobicContact CD2-CE1 4.15Å; L179-F200 HydrophobicContact CD2-CG 3.64Å; L179-F200 HydrophobicContact CG-CB 4.17Å; L179-F200 HydrophobicContact CG-CD1 4.03Å; L179-F200 HydrophobicContact CG-CD2 3.61Å; L179-F200 HydrophobicContact CG-CE1 4.31Å; L179-F200 HydrophobicContact CG-CE2 3.93Å; L179-F200 HydrophobicContact CG-CG 3.65Å; L179-F200 HydrophobicContact CG-CZ 4.26Å; S196-F200 WeakPolarHBondContact O-CB 3.48Å; S196-F200 PolarHBondContact O-N 2.84Å; L197-F200 PolarHBondContact O-N 3.26Å; Y198-F200 VanDerWaalsContact C-N 3.26Å; Y198-F200 PolarHBondContact O-N 2.98Å; F200-C203 PolarHBondContact O-N 2.83Å; F200-I204 HydrophobicContact CD1-CG2 4.39Å; F200-I204 HydrophobicContact CD2-CG2 4.42Å; F200-I204 HydrophobicContact CE1-CG2 3.97Å; F200-I204 HydrophobicContact CE2-CB 4.13Å; F200-I204 HydrophobicContact CE2-CG1 4.38Å; F200-I204 HydrophobicContact CE2-CG2 4.01Å; F200-I204 HydrophobicContact CZ-CB 4.32Å; F200-I204 HydrophobicContact CZ-CG1 4.46Å; F200-I204 HydrophobicContact CZ-CG2 3.77Å; F200-I204 WeakPolarHBondContact O-CG2 3.31Å; F200-I204 PolarHBondContact O-N 3.16Å; F200-L220 HydrophobicContact CE1-CD1 3.83Å; F200-L220 HydrophobicContact CE1-CD2 3.97Å
201	F	85.1	Confident	83.1	Confident	18 Å²	18	52.7 Å²	52.7	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-51.1	-178.7	179.6	-90.2	0	0	0	111.3	L197 Y198 C203 I204 H205 V217 L220 I221 L234	L197-F201 WeakPolarHBondContact O-CB 3.47Å; L197-F201 PolarHBondContact O-N 3.38Å; Y198-F201 PolarHBondContact O-N 3.31Å; Y198-F201 VanDerWaalsContact O-N 3.12Å; F201-C203 PolarHBondContact O-N 2.99Å; F201-I204 PolarHBondContact O-N 3.35Å; F201-I204 VanDerWaalsContact O-N 3.14Å; F201-H205 HydrophobicContact CD1-CB 4.26Å; F201-H205 HydrophobicContact CE1-CB 3.98Å; F201-H205 AromaticContact CE1-CD2 3.85Å; F201-H205 HydrophobicContact CE2-CB 4.44Å; F201-H205 HydrophobicContact CZ-CB 4.08Å; F201-H205 AromaticContact CZ-CD2 3.38Å; F201-H205 WeakPolarHBondContact CZ-CD2 3.44Å; F201-H205 AromaticContact CZ-CG 3.99Å; F201-H205 WeakPolarHBondContact O-CB 3.49Å; F201-H205 PolarHBondContact O-N 3.45Å; F201-V217 HydrophobicContact CE2-CG1 3.99Å; F201-V217 HydrophobicContact CZ-CG1 4.11Å; F201-L220 HydrophobicContact CD2-CD2 3.82Å; F201-L220 HydrophobicContact CD2-CG 4.16Å; F201-L220 HydrophobicContact CE2-CD2 4.34Å; F201-I221 HydrophobicContact CD2-CG1 4.15Å; F201-I221 HydrophobicContact CE2-CD1 3.61Å; F201-I221 HydrophobicContact CE2-CG1 3.43Å; F201-I221 VanDerWaalsContact CE2-CG1 3.43Å; F201-I221 HydrophobicContact CZ-CD1 3.5Å; F201-I221 VanDerWaalsContact CZ-CD1 3.5Å; F201-I221 HydrophobicContact CZ-CG1 3.81Å; F201-L234 HydrophobicContact CB-CD2 4.21Å; F201-L234 HydrophobicContact CD1-CD2 3.12Å; F201-L234 HydrophobicContact CE1-CD2 3.47Å; F201-L234 VanDerWaalsContact CE1-CD2 3.47Å; F201-L234 HydrophobicContact CG-CD2 3.71Å; F201-L234 HydrophobicContact CZ-CD2 4.32Å
202	S	81.4	Confident	83.8	Confident	62 Å²	62	48 Å²	48	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-59.2	-31.9	179	-63.1	0	0	0	0	112.3	Y198 S237	Y198-S202 PolarHBondContact O-N 2.87Å; Y198-S202 PolarHBondContact O-OG 2.79Å; S202-S237 PolarHBondContact OG-OG 2.98Å
203	C	86.6	Confident	83.9	Confident	38 Å²	38	41.2 Å²	41.2	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-75.3	-38.3	176.4	-172.4	0	0	0	0	113.7	C175 D199 F200 F201	C175-C203 WeakPolarHBondContact CA-SG 3.43Å; C175-C203 HydrophobicContact CB-CB 3.68Å; C175-C203 WeakPolarHBondContact CB-SG 3.47Å; C175-C203 WeakPolarHBondContact SG-CB 3.04Å; C175-C203 PolarHBondContact SG-O 3.28Å; C175-C203 CovalentContact SG-SG 2.04Å; C175-C203 PolarHBondContact SG-SG 3.28Å; D199-C203 WeakPolarHBondContact O-CB 3.44Å; D199-C203 PolarHBondContact O-N 2.88Å; D199-C203 VanDerWaalsContact O-N 3.15Å; F200-C203 PolarHBondContact O-N 2.83Å; F201-C203 PolarHBondContact O-N 2.99Å
204	I	87.8	Confident	83.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-100.6	-18	-169.9	-157.6	60.6	0	0	0	114.3	L169 N172 C175 F200 F201 E206 P207 L208 L220	L169-I204 HydrophobicContact CD2-CD1 3.87Å; L169-I204 HydrophobicContact CD2-CG1 3.81Å; N172-I204 HydrophobicContact CB-CD1 3.52Å; C175-I204 HydrophobicContact CB-CB 4.35Å; C175-I204 HydrophobicContact CB-CD1 4.31Å; F200-I204 HydrophobicContact CD1-CG2 4.39Å; F200-I204 HydrophobicContact CD2-CG2 4.42Å; F200-I204 HydrophobicContact CE1-CG2 3.97Å; F200-I204 HydrophobicContact CE2-CB 4.13Å; F200-I204 HydrophobicContact CE2-CG1 4.38Å; F200-I204 HydrophobicContact CE2-CG2 4.01Å; F200-I204 HydrophobicContact CZ-CB 4.32Å; F200-I204 HydrophobicContact CZ-CG1 4.46Å; F200-I204 HydrophobicContact CZ-CG2 3.77Å; F200-I204 WeakPolarHBondContact O-CG2 3.31Å; F200-I204 PolarHBondContact O-N 3.16Å; F201-I204 PolarHBondContact O-N 3.35Å; F201-I204 VanDerWaalsContact O-N 3.14Å; I204-E206 PolarHBondContact O-N 3.4Å; I204-P207 WeakPolarHBondContact O-CD 3.04Å; I204-L208 HydrophobicContact CG1-CB 4.41Å; I204-L208 WeakPolarHBondContact O-CB 3.47Å; I204-L208 PolarHBondContact O-N 3.08Å; I204-L220 HydrophobicContact CG2-CD2 3.84Å
205	H	82.9	Confident	83.1	Confident	36 Å²	36	46.7 Å²	46.7	17%	0.167	27%	0.266	C	S	.	.	H	α-helix	trans	-50.8	-58.8	-171.7	164.3	-88.7	0	0	0	112.9	F201 L208 Q209 V217 H248	F201-H205 HydrophobicContact CD1-CB 4.26Å; F201-H205 HydrophobicContact CE1-CB 3.98Å; F201-H205 AromaticContact CE1-CD2 3.85Å; F201-H205 HydrophobicContact CE2-CB 4.44Å; F201-H205 HydrophobicContact CZ-CB 4.08Å; F201-H205 AromaticContact CZ-CD2 3.38Å; F201-H205 WeakPolarHBondContact CZ-CD2 3.44Å; F201-H205 AromaticContact CZ-CG 3.99Å; F201-H205 WeakPolarHBondContact O-CB 3.49Å; F201-H205 PolarHBondContact O-N 3.45Å; H205-L208 PolarHBondContact O-N 3.44Å; H205-Q209 PolarHBondContact CE1-OE1 3.33Å; H205-Q209 PolarHBondContact NE2-OE1 3.01Å; H205-Q209 WeakPolarHBondContact O-CB 3.43Å; H205-Q209 PolarHBondContact O-N 2.86Å; H205-V217 WeakPolarHBondContact CD2-CG1 3.39Å; H205-H248 AromaticContact CD2-NE2 3.97Å; H205-H248 AromaticContact CE1-CD2 3.76Å; H205-H248 AromaticContact CE1-NE2 3.6Å; H205-H248 AromaticContact NE2-CD2 3.18Å; H205-H248 PolarHBondContact NE2-CD2 3.36Å; H205-H248 AromaticContact NE2-NE2 2.86Å; H205-H248 PolarHBondContact NE2-NE2 3.06Å
206	E	79.3	Confident	83.1	Confident	140 Å²	140	43.2 Å²	43.2	65%	0.654	25%	0.25	S	S	*	.	H	α-helix	trans	-66	-47	-176.6	176.9	-170.4	-160.4	0	0	112.3	I204 L208 Q209 T210	I204-E206 PolarHBondContact O-N 3.4Å; E206-L208 VanDerWaalsContact C-N 3.27Å; E206-L208 PolarHBondContact O-N 2.9Å; E206-Q209 PolarHBondContact O-N 3.43Å; E206-T210 WeakPolarHBondContact O-CB 3.46Å; E206-T210 PolarHBondContact O-N 3.18Å; E206-T210 PolarHBondContact O-OG1 3.11Å
207	P	86.7	Confident	83	Confident	34 Å²	34	42.1 Å²	42.1	22%	0.221	24%	0.243	C	C	.	.	H	α-helix	trans	-56.6	-39.8	172.7	-26.4	31.8	0	0	0	113.5	I204 R211	I204-P207 WeakPolarHBondContact O-CD 3.04Å; P207-R211 WeakPolarHBondContact O-CB 3.37Å; P207-R211 PolarHBondContact O-N 3.49Å
208	L	86.4	Confident	82.5	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-72.2	-42.2	-179.2	-168.6	66.4	0	0	0	111.5	I165 I204 H205 E206 R211 C212 V216 V217 L220	I165-L208 HydrophobicContact CB-CD1 4.45Å; I165-L208 HydrophobicContact CG1-CD1 4.1Å; I204-L208 HydrophobicContact CG1-CB 4.41Å; I204-L208 WeakPolarHBondContact O-CB 3.47Å; I204-L208 PolarHBondContact O-N 3.08Å; H205-L208 PolarHBondContact O-N 3.44Å; E206-L208 VanDerWaalsContact C-N 3.27Å; E206-L208 PolarHBondContact O-N 2.9Å; L208-R211 PolarHBondContact O-N 3.25Å; L208-C212 HydrophobicContact CD1-CB 4.24Å; L208-C212 WeakPolarHBondContact O-CA 3.24Å; L208-C212 VanDerWaalsContact O-CB 3.28Å; L208-C212 WeakPolarHBondContact O-CB 3.33Å; L208-C212 PolarHBondContact O-N 2.75Å; L208-V216 HydrophobicContact CD1-CG1 3.88Å; L208-V216 HydrophobicContact CD2-CG1 3.92Å; L208-V216 HydrophobicContact CG-CG1 3.84Å; L208-V217 HydrophobicContact CB-CG2 4.41Å; L208-V217 HydrophobicContact CD2-CG2 4.42Å; L208-V217 HydrophobicContact CG-CG2 4.4Å; L208-L220 HydrophobicContact CD2-CD2 3.96Å
209	Q	83.9	Confident	82.3	Confident	58 Å²	58	44.2 Å²	44.2	27%	0.271	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-47.9	176.6	-170.3	173.2	-16.9	0	0	111.1	H205 E206 R211 G213 T214 V217 H248	H205-Q209 PolarHBondContact CE1-OE1 3.33Å; H205-Q209 PolarHBondContact NE2-OE1 3.01Å; H205-Q209 WeakPolarHBondContact O-CB 3.43Å; H205-Q209 PolarHBondContact O-N 2.86Å; E206-Q209 PolarHBondContact O-N 3.43Å; Q209-R211 VanDerWaalsContact C-N 3.3Å; Q209-R211 PolarHBondContact O-N 3.28Å; Q209-G213 WeakPolarHBondContact O-CA 3.33Å; Q209-G213 PolarHBondContact O-N 3.38Å; Q209-T214 HydrophobicContact CG-CG2 3.99Å; Q209-V217 HydrophobicContact CB-CG2 3.75Å; Q209-V217 HydrophobicContact CG-CG2 4.33Å; Q209-H248 PolarHBondContact OE1-NE2 2.76Å
210	T	82	Confident	82.2	Confident	116 Å²	116	40.9 Å²	40.9	71%	0.712	24%	0.238	S	C	*	.	H	α-helix	trans	-62.2	-39.7	-177.3	-56.3	0	0	0	0	111.4	E206	E206-T210 WeakPolarHBondContact O-CB 3.46Å; E206-T210 PolarHBondContact O-N 3.18Å; E206-T210 PolarHBondContact O-OG1 3.11Å
211	R	86.9	Confident	81.7	Confident	94 Å²	94	40.9 Å²	40.9	36%	0.355	24%	0.239	S	C	.	.	H	α-helix	trans	-88.3	-43.1	-176.8	-165.3	-176.3	-151.1	153.4	17.6	114.3	H167 S168 E171 P207 L208 Q209	H167-R211 PolarHBondContact CD2-NH1 2.04Å; H167-R211 PolarHBondContact CD2-NH2 3.14Å; H167-R211 PolarHBondContact NE2-NH2 3.15Å; H167-R211 PolarHBondContact O-NH1 3.41Å; S168-R211 WeakPolarHBondContact OG-CD 3.18Å; E171-R211 IonicContact OE1-CZ 2.8Å; E171-R211 IonicContact OE1-NH1 2.81Å; E171-R211 PolarHBondContact OE1-NH1 3.43Å; E171-R211 VanDerWaalsContact OE1-NH1 3.08Å; E171-R211 IonicContact OE1-NH2 3.6Å; E171-R211 PolarHBondContact OE1-NH2 3.08Å; E171-R211 IonicContact OE2-CZ 3.23Å; E171-R211 VanDerWaalsContact OE2-CZ 3.31Å; E171-R211 IonicContact OE2-NH1 3.55Å; E171-R211 PolarHBondContact OE2-NH1 3.41Å; E171-R211 IonicContact OE2-NH2 3.11Å; E171-R211 PolarHBondContact OE2-NH2 3.33Å; P207-R211 WeakPolarHBondContact O-CB 3.37Å; P207-R211 PolarHBondContact O-N 3.49Å; L208-R211 PolarHBondContact O-N 3.25Å; Q209-R211 VanDerWaalsContact C-N 3.3Å; Q209-R211 PolarHBondContact O-N 3.28Å
212	C	85.2	Confident	81.3	Confident	24 Å²	24	44.3 Å²	44.3	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-109.7	-5.7	-167.6	-55.3	0	0	0	0	113.3	C164 L208 V216	C164-C212 HydrophobicContact CB-CB 4.02Å; C164-C212 WeakPolarHBondContact CB-SG 3.12Å; C164-C212 WeakPolarHBondContact SG-CA 2.93Å; C164-C212 WeakPolarHBondContact SG-CB 3.17Å; C164-C212 CovalentContact SG-SG 2.04Å; C164-C212 PolarHBondContact SG-SG 3.03Å; L208-C212 HydrophobicContact CD1-CB 4.24Å; L208-C212 WeakPolarHBondContact O-CA 3.24Å; L208-C212 VanDerWaalsContact O-CB 3.28Å; L208-C212 WeakPolarHBondContact O-CB 3.33Å; L208-C212 PolarHBondContact O-N 2.75Å; C212-V216 HydrophobicContact CB-CB 3.77Å; C212-V216 HydrophobicContact CB-CG1 3.87Å; C212-V216 HydrophobicContact CB-CG2 3.8Å; C212-V216 WeakPolarHBondContact O-CG2 3.23Å
213	G	78.4	Confident	81.1	Confident	31 Å²	31	41.9 Å²	41.9	32%	0.32	24%	0.236	S	C	.	.			trans	83.4	165.4	-179.3	0	0	0	0	0	113.7	Q209 A215 V216	Q209-G213 WeakPolarHBondContact O-CA 3.33Å; Q209-G213 PolarHBondContact O-N 3.38Å; G213-A215 PolarHBondContact O-N 3.06Å; G213-V216 PolarHBondContact O-N 3.44Å
214	T	75	Confident	80.8	Confident	84 Å²	84	40.1 Å²	40.1	52%	0.515	22%	0.224	S	C	.	.	H	α-helix	trans	-59.7	-31.9	-179.7	49.2	0	0	0	0	113.3	Q209 V216 V217 A218	Q209-T214 HydrophobicContact CG-CG2 3.99Å; T214-V216 VanDerWaalsContact C-N 3.27Å; T214-V216 PolarHBondContact O-N 3.32Å; T214-V217 PolarHBondContact O-N 2.94Å; T214-A218 PolarHBondContact O-N 3.18Å
215	A	72.8	Confident	80.2	Confident	55 Å²	55	43.8 Å²	43.8	46%	0.455	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-32.8	178.3	0	0	0	0	0	113.1	G213 E219	G213-A215 PolarHBondContact O-N 3.06Å; A215-E219 WeakPolarHBondContact O-CG 3.41Å; A215-E219 PolarHBondContact O-N 2.95Å
216	V	82.2	Confident	79.7	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-77.2	-36.6	178.6	169.5	0	0	0	0	111.5	K161 I165 L208 C212 G213 T214 A218 E219 L220	K161-V216 HydrophobicContact CB-CG2 4.32Å; K161-V216 HydrophobicContact CD-CG2 4.39Å; K161-V216 HydrophobicContact CG-CG2 3.94Å; I165-V216 HydrophobicContact CD1-CG1 3.79Å; I165-V216 HydrophobicContact CG1-CG1 3.4Å; I165-V216 VanDerWaalsContact CG1-CG1 3.4Å; L208-V216 HydrophobicContact CD1-CG1 3.88Å; L208-V216 HydrophobicContact CD2-CG1 3.92Å; L208-V216 HydrophobicContact CG-CG1 3.84Å; C212-V216 HydrophobicContact CB-CB 3.77Å; C212-V216 HydrophobicContact CB-CG1 3.87Å; C212-V216 HydrophobicContact CB-CG2 3.8Å; C212-V216 WeakPolarHBondContact O-CG2 3.23Å; G213-V216 PolarHBondContact O-N 3.44Å; T214-V216 VanDerWaalsContact C-N 3.27Å; T214-V216 PolarHBondContact O-N 3.32Å; V216-A218 VanDerWaalsContact C-N 3.33Å; V216-E219 PolarHBondContact O-N 3.48Å; V216-L220 PolarHBondContact O-N 2.94Å; V216-L220 VanDerWaalsContact O-N 3.1Å
217	V	81.9	Confident	79.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-41.9	173.2	178.1	0	0	0	0	111.2	F201 H205 L208 Q209 T214 E219 L220 I221 I252	F201-V217 HydrophobicContact CE2-CG1 3.99Å; F201-V217 HydrophobicContact CZ-CG1 4.11Å; H205-V217 WeakPolarHBondContact CD2-CG1 3.39Å; L208-V217 HydrophobicContact CB-CG2 4.41Å; L208-V217 HydrophobicContact CD2-CG2 4.42Å; L208-V217 HydrophobicContact CG-CG2 4.4Å; Q209-V217 HydrophobicContact CB-CG2 3.75Å; Q209-V217 HydrophobicContact CG-CG2 4.33Å; T214-V217 PolarHBondContact O-N 2.94Å; V217-E219 VanDerWaalsContact C-N 3.3Å; V217-E219 PolarHBondContact O-N 3.05Å; V217-L220 WeakPolarHBondContact O-CB 3.31Å; V217-L220 PolarHBondContact O-N 2.96Å; V217-L220 VanDerWaalsContact O-N 3.14Å; V217-I221 HydrophobicContact CG1-CD1 4.43Å; V217-I221 PolarHBondContact O-N 2.79Å; V217-I252 HydrophobicContact CG1-CD1 4.11Å
218	A	74.6	Confident	79.2	Confident	20 Å²	20	38.2 Å²	38.2	17%	0.165	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-40.1	176.5	0	0	0	0	0	112.4	T214 V216 I221 K222 I252	T214-A218 PolarHBondContact O-N 3.18Å; V216-A218 VanDerWaalsContact C-N 3.33Å; A218-I221 PolarHBondContact O-N 3.18Å; A218-K222 WeakPolarHBondContact O-CG 3.15Å; A218-K222 PolarHBondContact O-N 3.35Å; A218-K222 VanDerWaalsContact O-N 3.09Å; A218-I252 HydrophobicContact CB-CG2 3.87Å
219	E	77.2	Confident	78.9	Confident	30 Å²	30	38.3 Å²	38.3	14%	0.14	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-39.1	174.5	-68.8	-59.5	129.4	0	0	112.4	Y152 H156 A215 V216 V217 I221 K222 V223	Y152-E219 PolarHBondContact OH-OE2 3.5Å; H156-E219 WeakPolarHBondContact CB-OE2 3.39Å; H156-E219 IonicContact CG-OE2 3.67Å; A215-E219 WeakPolarHBondContact O-CG 3.41Å; A215-E219 PolarHBondContact O-N 2.95Å; V216-E219 PolarHBondContact O-N 3.48Å; V217-E219 VanDerWaalsContact C-N 3.3Å; V217-E219 PolarHBondContact O-N 3.05Å; E219-I221 PolarHBondContact O-N 3.08Å; E219-K222 PolarHBondContact O-N 3.3Å; E219-K222 IonicContact OE1-NZ 2.68Å; E219-K222 PolarHBondContact OE1-NZ 3.5Å; E219-V223 WeakPolarHBondContact O-CG2 3.48Å; E219-V223 PolarHBondContact O-N 3.42Å
220	L	81.7	Confident	78.3	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-42.7	175.4	175.8	60.1	0	0	0	111.8	Y108 F200 F201 I204 L208 V216 V217 K222 V223 V224	Y108-L220 HydrophobicContact CE2-CD1 3.74Å; Y108-L220 WeakPolarHBondContact OH-CD1 3.22Å; F200-L220 HydrophobicContact CE1-CD1 3.83Å; F200-L220 HydrophobicContact CE1-CD2 3.97Å; F201-L220 HydrophobicContact CD2-CD2 3.82Å; F201-L220 HydrophobicContact CD2-CG 4.16Å; F201-L220 HydrophobicContact CE2-CD2 4.34Å; I204-L220 HydrophobicContact CG2-CD2 3.84Å; L208-L220 HydrophobicContact CD2-CD2 3.96Å; V216-L220 PolarHBondContact O-N 2.94Å; V216-L220 VanDerWaalsContact O-N 3.1Å; V217-L220 WeakPolarHBondContact O-CB 3.31Å; V217-L220 PolarHBondContact O-N 2.96Å; V217-L220 VanDerWaalsContact O-N 3.14Å; L220-K222 VanDerWaalsContact C-N 3.34Å; L220-K222 PolarHBondContact O-N 2.93Å; L220-V223 WeakPolarHBondContact O-CB 3.35Å; L220-V223 PolarHBondContact O-N 2.84Å; L220-V224 WeakPolarHBondContact O-CG2 3.38Å; L220-V224 PolarHBondContact O-N 2.81Å
221	I	78	Confident	77.6	Confident	4 Å²	4	34 Å²	34	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-44.1	175.8	-80.6	162.8	0	0	0	111.1	F201 V217 A218 E219 V223 V224 I225 L231 I252	F201-I221 HydrophobicContact CD2-CG1 4.15Å; F201-I221 HydrophobicContact CE2-CD1 3.61Å; F201-I221 HydrophobicContact CE2-CG1 3.43Å; F201-I221 VanDerWaalsContact CE2-CG1 3.43Å; F201-I221 HydrophobicContact CZ-CD1 3.5Å; F201-I221 VanDerWaalsContact CZ-CD1 3.5Å; F201-I221 HydrophobicContact CZ-CG1 3.81Å; V217-I221 HydrophobicContact CG1-CD1 4.43Å; V217-I221 PolarHBondContact O-N 2.79Å; A218-I221 PolarHBondContact O-N 3.18Å; E219-I221 PolarHBondContact O-N 3.08Å; I221-V223 VanDerWaalsContact C-N 3.26Å; I221-V223 PolarHBondContact O-N 3.37Å; I221-V224 WeakPolarHBondContact O-CB 3.42Å; I221-V224 PolarHBondContact O-N 3.49Å; I221-I225 HydrophobicContact CG2-CD1 3.93Å; I221-I225 HydrophobicContact CG2-CG1 4.36Å; I221-I225 VanDerWaalsContact O-CG1 3.31Å; I221-I225 WeakPolarHBondContact O-CG1 3.49Å; I221-I225 PolarHBondContact O-N 3.17Å; I221-L231 HydrophobicContact CG2-CD1 4.29Å; I221-L231 HydrophobicContact CG2-CD2 4.04Å; I221-I252 HydrophobicContact CB-CG2 4.01Å; I221-I252 HydrophobicContact CD1-CB 4.02Å; I221-I252 HydrophobicContact CD1-CD1 3.28Å; I221-I252 HydrophobicContact CD1-CG1 4.2Å; I221-I252 HydrophobicContact CD1-CG2 3.49Å; I221-I252 VanDerWaalsContact CD1-CG2 3.49Å; I221-I252 HydrophobicContact CG1-CG2 4.34Å; I221-I252 HydrophobicContact CG2-CG2 4.03Å
222	K	75.6	Confident	76.3	Confident	89 Å²	89	34.4 Å²	34.4	39%	0.387	22%	0.217	S	C	.	.	H	α-helix	trans	-60.6	-36.1	176.5	-68.3	171.6	-174.1	174.5	0	112.4	Y152 A218 E219 L220 I225 S226	Y152-K222 HydrophobicContact CE1-CB 4.21Å; Y152-K222 HydrophobicContact CE2-CB 3.78Å; Y152-K222 HydrophobicContact CE2-CD 4.34Å; Y152-K222 VanDerWaalsContact CZ-CB 3.44Å; Y152-K222 WeakPolarHBondContact OH-CB 3.5Å; Y152-K222 WeakPolarHBondContact OH-CD 3.42Å; A218-K222 WeakPolarHBondContact O-CG 3.15Å; A218-K222 PolarHBondContact O-N 3.35Å; A218-K222 VanDerWaalsContact O-N 3.09Å; E219-K222 PolarHBondContact O-N 3.3Å; E219-K222 IonicContact OE1-NZ 2.68Å; E219-K222 PolarHBondContact OE1-NZ 3.5Å; L220-K222 VanDerWaalsContact C-N 3.34Å; L220-K222 PolarHBondContact O-N 2.93Å; K222-I225 PolarHBondContact O-N 3.21Å; K222-S226 WeakPolarHBondContact O-CB 3.3Å; K222-S226 PolarHBondContact O-N 3Å; K222-S226 PolarHBondContact O-OG 3.29Å
223	V	78.8	Confident	75.1	Confident	12 Å²	12	37.9 Å²	37.9	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-42.2	172.3	173.3	0	0	0	0	111.7	L105 Y152 E219 L220 I221 I225 S226 Y227	L105-V223 HydrophobicContact CD1-CG1 3.79Å; L105-V223 HydrophobicContact CD2-CG1 3.61Å; L105-V223 HydrophobicContact CG-CG1 4.35Å; Y152-V223 HydrophobicContact CD1-CG2 3.5Å; Y152-V223 HydrophobicContact CE1-CG2 3.58Å; E219-V223 WeakPolarHBondContact O-CG2 3.48Å; E219-V223 PolarHBondContact O-N 3.42Å; L220-V223 WeakPolarHBondContact O-CB 3.35Å; L220-V223 PolarHBondContact O-N 2.84Å; I221-V223 VanDerWaalsContact C-N 3.26Å; I221-V223 PolarHBondContact O-N 3.37Å; V223-I225 VanDerWaalsContact C-N 3.33Å; V223-I225 PolarHBondContact O-N 2.96Å; V223-S226 WeakPolarHBondContact CA-OG 3.27Å; V223-S226 PolarHBondContact O-N 3.15Å; V223-S226 PolarHBondContact O-OG 3.05Å; V223-Y227 PolarHBondContact O-N 3.07Å
224	V	79.7	Confident	74	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-41.1	176.2	173.9	0	0	0	0	111	Y198 L220 I221 Y227 C229 L231 L234	Y198-V224 HydrophobicContact CE1-CG1 4.05Å; L220-V224 WeakPolarHBondContact O-CG2 3.38Å; L220-V224 PolarHBondContact O-N 2.81Å; I221-V224 WeakPolarHBondContact O-CB 3.42Å; I221-V224 PolarHBondContact O-N 3.49Å; V224-Y227 WeakPolarHBondContact O-CB 3.07Å; V224-Y227 PolarHBondContact O-N 2.73Å; V224-C229 HydrophobicContact CG1-CB 3.82Å; V224-C229 WeakPolarHBondContact O-CB 3.48Å; V224-C229 PolarHBondContact O-N 2.95Å; V224-L231 HydrophobicContact CG1-CD2 4.49Å; V224-L234 HydrophobicContact CG1-CD1 4.18Å
225	I	75.7	Confident	72.8	Confident	77 Å²	77	33.2 Å²	33.2	40%	0.395	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-46.7	174.3	-60.9	168.2	0	0	0	110.7	I221 K222 V223 Y227 G228 L231	I221-I225 HydrophobicContact CG2-CD1 3.93Å; I221-I225 HydrophobicContact CG2-CG1 4.36Å; I221-I225 VanDerWaalsContact O-CG1 3.31Å; I221-I225 WeakPolarHBondContact O-CG1 3.49Å; I221-I225 PolarHBondContact O-N 3.17Å; K222-I225 PolarHBondContact O-N 3.21Å; V223-I225 VanDerWaalsContact C-N 3.33Å; V223-I225 PolarHBondContact O-N 2.96Å; I225-Y227 PolarHBondContact O-N 2.97Å; I225-G228 WeakPolarHBondContact O-CA 3.32Å; I225-G228 PolarHBondContact O-N 3.12Å; I225-L231 HydrophobicContact CD1-CD1 3.29Å; I225-L231 HydrophobicContact CD1-CG 4.23Å; I225-L231 HydrophobicContact CG1-CD1 3.33Å; I225-L231 HydrophobicContact CG1-CD2 3.87Å; I225-L231 HydrophobicContact CG1-CG 3.71Å
226	S	72.6	Confident	71.7	Confident	45 Å²	45	35.7 Å²	35.7	32%	0.315	20%	0.2	S	C	.	.	H	α-helix	trans	-65.5	-25	-178.6	68.7	0	0	0	0	112.6	K222 V223 G228	K222-S226 WeakPolarHBondContact O-CB 3.3Å; K222-S226 PolarHBondContact O-N 3Å; K222-S226 PolarHBondContact O-OG 3.29Å; V223-S226 WeakPolarHBondContact CA-OG 3.27Å; V223-S226 PolarHBondContact O-N 3.15Å; V223-S226 PolarHBondContact O-OG 3.05Å; S226-G228 PolarHBondContact O-N 3.46Å
227	Y	77.2	Confident	69.9	Low	4 Å²	4	37.4 Å²	37.4	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-23.1	170.4	-161.9	-94.2	0	0	0	112.8	I104 L105 T148 R181 D193 L197 V223 V224 I225	I104-Y227 HydrophobicContact CG2-CD2 4.41Å; I104-Y227 HydrophobicContact CG2-CE1 4.08Å; I104-Y227 HydrophobicContact CG2-CE2 3.77Å; I104-Y227 WeakPolarHBondContact O-CE2 3.37Å; L105-Y227 HydrophobicContact CD2-CD2 4.06Å; T148-Y227 HydrophobicContact CG2-CD2 4.41Å; T148-Y227 HydrophobicContact CG2-CE2 4.43Å; R181-Y227 PolarHBondContact NH2-OH 3.27Å; D193-Y227 HydrophobicContact CB-CE1 3.73Å; D193-Y227 PolarHBondContact OD2-OH 3.16Å; L197-Y227 HydrophobicContact CD1-CD1 3.69Å; L197-Y227 HydrophobicContact CD1-CE1 4.23Å; L197-Y227 HydrophobicContact CD1-CG 3.87Å; V223-Y227 PolarHBondContact O-N 3.07Å; V224-Y227 WeakPolarHBondContact O-CB 3.07Å; V224-Y227 PolarHBondContact O-N 2.73Å; I225-Y227 PolarHBondContact O-N 2.97Å
228	G	76.6	Confident	68.2	Low	44 Å²	44	38.9 Å²	38.9	45%	0.454	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	18.4	-179.8	0	0	0	0	0	114.3	I225 S226	I225-G228 WeakPolarHBondContact O-CA 3.32Å; I225-G228 PolarHBondContact O-N 3.12Å; S226-G228 PolarHBondContact O-N 3.46Å
229	C	80.7	Confident	66.8	Low	7 Å²	7	44.2 Å²	44.2	5%	0.047	25%	0.253	C	S	.	.			trans	-88.2	132.3	-179.2	-62.2	0	0	0	0	112.1	C194 Y198 V224 L231	C194-C229 WeakPolarHBondContact CA-SG 3.4Å; C194-C229 HydrophobicContact CB-CB 3.76Å; C194-C229 WeakPolarHBondContact CB-SG 3.37Å; C194-C229 WeakPolarHBondContact SG-CA 3.4Å; C194-C229 WeakPolarHBondContact SG-CB 3.05Å; C194-C229 CovalentContact SG-SG 2.04Å; C194-C229 PolarHBondContact SG-SG 3Å; Y198-C229 HydrophobicContact CE1-CB 4.06Å; Y198-C229 WeakPolarHBondContact OH-CB 3.2Å; V224-C229 HydrophobicContact CG1-CB 3.82Å; V224-C229 WeakPolarHBondContact O-CB 3.48Å; V224-C229 PolarHBondContact O-N 2.95Å; C229-L231 PolarHBondContact O-N 2.04Å
230	S	72.1	Confident	65.5	Low	62 Å²	62	50.3 Å²	50.3	43%	0.434	28%	0.282	S	S	.	.			trans	-76.4	114.6	175.7	178.9	0	0	0	0	110.9	Y198 E232 K233	Y198-S230 VanDerWaalsContact OH-C 3.25Å; Y198-S230 PolarHBondContact OH-N 3.49Å; Y198-S230 PolarHBondContact OH-O 3.35Å; S230-E232 PolarHBondContact O-N 2.76Å; S230-E232 PolarHBondContact OG-N 3.47Å; S230-K233 PolarHBondContact O-N 2.97Å
231	L	65.8	Low	64.5	Low	20 Å²	20	55.9 Å²	55.9	11%	0.105	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.3	179.9	-63.9	166.8	0	0	0	114.5	I221 V224 I225 C229 K233 L234 F249	I221-L231 HydrophobicContact CG2-CD1 4.29Å; I221-L231 HydrophobicContact CG2-CD2 4.04Å; V224-L231 HydrophobicContact CG1-CD2 4.49Å; I225-L231 HydrophobicContact CD1-CD1 3.29Å; I225-L231 HydrophobicContact CD1-CG 4.23Å; I225-L231 HydrophobicContact CG1-CD1 3.33Å; I225-L231 HydrophobicContact CG1-CD2 3.87Å; I225-L231 HydrophobicContact CG1-CG 3.71Å; C229-L231 PolarHBondContact O-N 2.04Å; L231-K233 PolarHBondContact O-N 3.47Å; L231-L234 HydrophobicContact CD2-CD1 3.54Å; L231-L234 VanDerWaalsContact O-CB 3.25Å; L231-L234 WeakPolarHBondContact O-CB 3.32Å; L231-L234 PolarHBondContact O-N 3.42Å; L231-F249 HydrophobicContact CB-CE1 4.48Å; L231-F249 HydrophobicContact CB-CE2 3.36Å; L231-F249 HydrophobicContact CB-CZ 3.32Å; L231-F249 HydrophobicContact CD1-CE2 3.39Å; L231-F249 HydrophobicContact CD1-CZ 3.62Å; L231-F249 HydrophobicContact CD2-CE2 3.93Å; L231-F249 HydrophobicContact CG-CE2 3.72Å; L231-F249 HydrophobicContact CG-CZ 4.03Å
232	E	60.1	Low	64.1	Low	104 Å²	104	58.1 Å²	58.1	49%	0.486	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-33.3	179.1	-69.2	170.6	178.5	0	0	112.4	S230 R274	S230-E232 PolarHBondContact O-N 2.76Å; S230-E232 PolarHBondContact OG-N 3.47Å; E232-R274 PolarHBondContact O-NH2 3.26Å
233	K	61	Low	64	Low	97 Å²	97	54.4 Å²	54.4	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-77.2	-18.4	176.1	-72.1	-171.9	178	-178.1	0	113.7	E191 Y198 S230 L231 D236 S237	E191-K233 IonicContact OE1-NZ 2.96Å; E191-K233 PolarHBondContact OE1-NZ 2.59Å; Y198-K233 HydrophobicContact CD2-CB 4.06Å; Y198-K233 HydrophobicContact CE2-CB 3.54Å; Y198-K233 HydrophobicContact CE2-CD 4.21Å; Y198-K233 HydrophobicContact CE2-CG 4.45Å; S230-K233 PolarHBondContact O-N 2.97Å; L231-K233 PolarHBondContact O-N 3.47Å; K233-D236 PolarHBondContact O-N 3.36Å; K233-S237 PolarHBondContact O-N 3.47Å
234	L	55.8	Low	63.6	Low	13 Å²	13	58.4 Å²	58.4	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-70.4	-38.1	-179.8	-119.8	140.2	0	0	0	111.2	Y198 F201 V224 L231 D236 S237	Y198-L234 HydrophobicContact CD1-CB 4.37Å; Y198-L234 HydrophobicContact CD1-CD1 3.24Å; Y198-L234 HydrophobicContact CD1-CG 3.48Å; Y198-L234 VanDerWaalsContact CD1-CG 3.48Å; Y198-L234 HydrophobicContact CE1-CD1 3.35Å; Y198-L234 HydrophobicContact CE1-CG 3.95Å; Y198-L234 HydrophobicContact CG-CD1 4.36Å; Y198-L234 HydrophobicContact CG-CG 4.17Å; F201-L234 HydrophobicContact CB-CD2 4.21Å; F201-L234 HydrophobicContact CD1-CD2 3.12Å; F201-L234 HydrophobicContact CE1-CD2 3.47Å; F201-L234 VanDerWaalsContact CE1-CD2 3.47Å; F201-L234 HydrophobicContact CG-CD2 3.71Å; F201-L234 HydrophobicContact CZ-CD2 4.32Å; V224-L234 HydrophobicContact CG1-CD1 4.18Å; L231-L234 HydrophobicContact CD2-CD1 3.54Å; L231-L234 VanDerWaalsContact O-CB 3.25Å; L231-L234 WeakPolarHBondContact O-CB 3.32Å; L231-L234 PolarHBondContact O-N 3.42Å; L234-D236 VanDerWaalsContact C-N 3.34Å; L234-S237 PolarHBondContact O-OG 2.84Å
235	G	49.1	Very low	63.1	Low	4 Å²	4	60.3 Å²	60.3	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-68.4	-28.6	176.5	0	0	0	0	0	114.3
236	D	48.4	Very low	63.1	Low	106 Å²	106	56.8 Å²	56.8	57%	0.567	32%	0.318	S	S	*	.	H	α-helix	trans	-85.5	-16.8	-178.6	-62.7	-24	0	0	0	112.9	K233 L234 R274	K233-D236 PolarHBondContact O-N 3.36Å; L234-D236 VanDerWaalsContact C-N 3.34Å; D236-R274 IonicContact OD1-CZ 2.85Å; D236-R274 IonicContact OD1-NH2 3.92Å; D236-R274 PolarHBondContact OD1-NH2 3.32Å; D236-R274 IonicContact OD2-NH2 3.67Å; D236-R274 PolarHBondContact OD2-NH2 2.92Å
237	S	45.3	Very low	63.3	Low	44 Å²	44	55 Å²	55	31%	0.308	31%	0.305	S	S	.	.	S	Bend	trans	-80.6	-14.9	-174.3	71.1	0	0	0	0	115	S202 K233 L234 T239	S202-S237 PolarHBondContact OG-OG 2.98Å; K233-S237 PolarHBondContact O-N 3.47Å; L234-S237 PolarHBondContact O-OG 2.84Å; S237-T239 PolarHBondContact O-N 2.8Å
238	S	45.3	Very low	63.1	Low	30 Å²	30	56.2 Å²	56.2	21%	0.21	31%	0.31	C	S	.	.			trans	-90.8	101.1	176.8	70.5	0	0	0	0	110.6	E240 S245	S238-E240 VanDerWaalsContact C-N 3.27Å; S238-E240 PolarHBondContact O-N 3.38Å; S238-S245 WeakPolarHBondContact CB-OG 3.44Å; S238-S245 WeakPolarHBondContact OG-CB 3.31Å; S238-S245 PolarHBondContact OG-OG 3.36Å
239	T	46.2	Very low	63	Low	133 Å²	133	55.1 Å²	55.1	82%	0.816	29%	0.293	S	S	*	.	S	Bend	trans	-68	-20.8	-178.8	43.6	0	0	0	0	114.2	S237	S237-T239 PolarHBondContact O-N 2.8Å
240	E	50.5	Low	62.8	Low	157 Å²	157	54.8 Å²	54.8	73%	0.734	29%	0.291	S	S	*	.	S	Bend	trans	-88.1	-34.9	-169	-69.5	-174.9	160.8	0	0	114.1	S238	S238-E240 VanDerWaalsContact C-N 3.27Å; S238-E240 PolarHBondContact O-N 3.38Å
241	F	59.8	Low	63	Low	122 Å²	122	54.9 Å²	54.9	54%	0.535	28%	0.282	S	S	.	.			trans	-151.1	71.5	-179	-63.5	-77.8	0	0	0	112.9	L243 Q244 S245	F241-L243 VanDerWaalsContact C-N 3.32Å; F241-L243 PolarHBondContact O-N 3.33Å; F241-Q244 HydrophobicContact CB-CB 3.97Å; F241-Q244 PolarHBondContact O-N 3.01Å; F241-Q244 VanDerWaalsContact O-N 3.11Å; F241-S245 PolarHBondContact O-N 2.82Å; F241-S245 PolarHBondContact O-OG 2.88Å
242	P	69.2	Low	63.2	Low	50 Å²	50	55 Å²	55	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-56	-42.4	-170.5	19.9	-32.3	0	0	0	113.3	F246 M278	P242-F246 VanDerWaalsContact O-CB 3.23Å; P242-F246 WeakPolarHBondContact O-CB 3.28Å; P242-F246 PolarHBondContact O-N 2.94Å; P242-M278 HydrophobicContact CB-SD 4.49Å
243	L	74.1	Confident	63.8	Low	11 Å²	11	55 Å²	55	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-39.8	179.8	-175.4	65.7	0	0	0	112.8	F241 F246 W247 M275 M278 V279 I297 T301 L305	F241-L243 VanDerWaalsContact C-N 3.32Å; F241-L243 PolarHBondContact O-N 3.33Å; L243-F246 PolarHBondContact O-N 3.3Å; L243-W247 VanDerWaalsContact O-CB 3.31Å; L243-W247 WeakPolarHBondContact O-CB 3.25Å; L243-W247 PolarHBondContact O-N 3.04Å; L243-M275 HydrophobicContact CD1-CB 4.14Å; L243-M275 HydrophobicContact CD1-CG 4.12Å; L243-M278 HydrophobicContact CB-CB 4.44Å; L243-M278 HydrophobicContact CD1-CB 4.12Å; L243-M278 HydrophobicContact CD1-SD 4.42Å; L243-V279 HydrophobicContact CD1-CG2 4.25Å; L243-V279 HydrophobicContact CD2-CG2 3.65Å; L243-I297 HydrophobicContact CD2-CD1 4.37Å; L243-I297 HydrophobicContact CG-CD1 4.45Å; L243-T301 WeakPolarHBondContact CD2-OG1 3.26Å; L243-L305 HydrophobicContact CD1-CD1 4.12Å; L243-L305 HydrophobicContact CD2-CD1 4.31Å
244	Q	71	Confident	64.5	Low	97 Å²	97	52.1 Å²	52.1	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-69.2	-43.1	179.3	-176.8	175.3	-9.9	0	0	111	F241 F246 W247 H248 I297	F241-Q244 HydrophobicContact CB-CB 3.97Å; F241-Q244 PolarHBondContact O-N 3.01Å; F241-Q244 VanDerWaalsContact O-N 3.11Å; Q244-F246 VanDerWaalsContact C-N 3.34Å; Q244-W247 PolarHBondContact O-N 3.4Å; Q244-H248 WeakPolarHBondContact O-CB 3.31Å; Q244-H248 PolarHBondContact O-N 2.83Å; Q244-I297 HydrophobicContact CB-CD1 3.94Å
245	S	67.8	Low	65.4	Low	40 Å²	40	55.6 Å²	55.6	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-44	174.3	-61.8	0	0	0	0	111.2	S238 F241 H248 F249	S238-S245 WeakPolarHBondContact CB-OG 3.44Å; S238-S245 WeakPolarHBondContact OG-CB 3.31Å; S238-S245 PolarHBondContact OG-OG 3.36Å; F241-S245 PolarHBondContact O-N 2.82Å; F241-S245 PolarHBondContact O-OG 2.88Å; S245-H248 PolarHBondContact O-N 2.83Å; S245-F249 VanDerWaalsContact O-CB 3.27Å; S245-F249 WeakPolarHBondContact O-CB 3.35Å; S245-F249 PolarHBondContact O-N 3.48Å
246	F	77.6	Confident	66.9	Low	2 Å²	2	59.9 Å²	59.9	1%	0.009	31%	0.312	C	S	.	.	H	α-helix	trans	-65.3	-43.2	176.8	-169.6	-102.9	0	0	0	112.1	P242 L243 Q244 H248 F249 V250 D271 R274 M275 M278	P242-F246 VanDerWaalsContact O-CB 3.23Å; P242-F246 WeakPolarHBondContact O-CB 3.28Å; P242-F246 PolarHBondContact O-N 2.94Å; L243-F246 PolarHBondContact O-N 3.3Å; Q244-F246 VanDerWaalsContact C-N 3.34Å; F246-H248 VanDerWaalsContact C-N 3.33Å; F246-H248 PolarHBondContact O-N 3.2Å; F246-F249 HydrophobicContact CD2-CD1 4.13Å; F246-F249 HydrophobicContact CE2-CD1 4.07Å; F246-F249 HydrophobicContact CE2-CE1 4.37Å; F246-F249 WeakPolarHBondContact O-CB 2.93Å; F246-F249 PolarHBondContact O-N 3.37Å; F246-V250 HydrophobicContact CD1-CG2 3.98Å; F246-V250 HydrophobicContact CE1-CG2 3.61Å; F246-V250 HydrophobicContact CE2-CG2 4.41Å; F246-V250 HydrophobicContact CZ-CG2 3.85Å; F246-V250 WeakPolarHBondContact O-CB 3.13Å; F246-V250 VanDerWaalsContact O-CG2 3.27Å; F246-V250 WeakPolarHBondContact O-CG2 3.49Å; F246-V250 PolarHBondContact O-N 3.36Å; F246-D271 HydrophobicContact CE1-CB 4.42Å; F246-D271 HydrophobicContact CZ-CB 4.39Å; F246-R274 HydrophobicContact CE1-CB 4.45Å; F246-R274 HydrophobicContact CE1-CG 4.45Å; F246-R274 HydrophobicContact CE2-CG 4.34Å; F246-R274 HydrophobicContact CZ-CB 4.25Å; F246-R274 HydrophobicContact CZ-CG 4.1Å; F246-M275 HydrophobicContact CD1-CE 3.83Å; F246-M275 HydrophobicContact CD1-CG 3.58Å; F246-M275 HydrophobicContact CE1-CE 3.79Å; F246-M275 HydrophobicContact CE1-CG 3.66Å; F246-M278 HydrophobicContact CB-CE 3.84Å; F246-M278 HydrophobicContact CB-SD 3.65Å; F246-M278 HydrophobicContact CD1-CE 4.43Å; F246-M278 HydrophobicContact CD1-SD 4.25Å; F246-M278 HydrophobicContact CD2-CE 3.84Å; F246-M278 HydrophobicContact CG-CE 3.77Å; F246-M278 HydrophobicContact CG-SD 3.92Å
247	W	76.6	Confident	68.4	Low	9 Å²	9	55.1 Å²	55.1	3%	0.034	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-44.1	172.9	168.9	-126.8	0	0	0	112.2	L243 Q244 F249 V250 R251 F257 P263 F267 M275 F300	L243-W247 VanDerWaalsContact O-CB 3.31Å; L243-W247 WeakPolarHBondContact O-CB 3.25Å; L243-W247 PolarHBondContact O-N 3.04Å; Q244-W247 PolarHBondContact O-N 3.4Å; W247-F249 VanDerWaalsContact C-N 3.33Å; W247-V250 PolarHBondContact O-N 2.74Å; W247-R251 HydrophobicContact CD2-CG 4.13Å; W247-R251 HydrophobicContact CE3-CG 4.14Å; W247-R251 HydrophobicContact CH2-CG 3.79Å; W247-R251 VanDerWaalsContact CZ2-CD 3.44Å; W247-R251 HydrophobicContact CZ2-CG 3.81Å; W247-R251 HydrophobicContact CZ3-CG 3.93Å; W247-R251 WeakPolarHBondContact O-CG 2.95Å; W247-R251 PolarHBondContact O-N 2.88Å; W247-F257 HydrophobicContact CH2-CB 4.47Å; W247-P263 HydrophobicContact CH2-CB 4.49Å; W247-P263 HydrophobicContact CH2-CG 3.94Å; W247-F267 HydrophobicContact CE3-CE1 4.28Å; W247-F267 HydrophobicContact CE3-CZ 4.13Å; W247-F267 HydrophobicContact CH2-CZ 4.2Å; W247-F267 AromaticContact CZ3-CE1 3.56Å; W247-F267 HydrophobicContact CZ3-CE1 3.56Å; W247-F267 AromaticContact CZ3-CZ 3.42Å; W247-F267 HydrophobicContact CZ3-CZ 3.42Å; W247-F267 VanDerWaalsContact CZ3-CZ 3.42Å; W247-M275 HydrophobicContact CE3-CE 4.15Å; W247-F300 HydrophobicContact CB-CE1 4.34Å; W247-F300 HydrophobicContact CB-CZ 4.38Å; W247-F300 HydrophobicContact CD2-CE1 4.31Å; W247-F300 AromaticContact CD2-CE2 3.89Å; W247-F300 HydrophobicContact CD2-CE2 3.89Å; W247-F300 AromaticContact CD2-CZ 3.51Å; W247-F300 HydrophobicContact CD2-CZ 3.51Å; W247-F300 AromaticContact CE2-CE2 3.64Å; W247-F300 AromaticContact CE2-CZ 3.8Å; W247-F300 HydrophobicContact CE3-CE2 4.27Å; W247-F300 AromaticContact CE3-CZ 3.74Å; W247-F300 HydrophobicContact CE3-CZ 3.74Å; W247-F300 HydrophobicContact CG-CE1 4.17Å; W247-F300 HydrophobicContact CG-CE2 4.37Å; W247-F300 AromaticContact CG-CZ 3.83Å; W247-F300 HydrophobicContact CG-CZ 3.83Å; W247-F300 HydrophobicContact CH2-CE2 4.25Å; W247-F300 HydrophobicContact CH2-CZ 4.49Å; W247-F300 AromaticContact CZ2-CE2 3.82Å; W247-F300 HydrophobicContact CZ2-CE2 3.82Å; W247-F300 HydrophobicContact CZ2-CZ 4.27Å; W247-F300 HydrophobicContact CZ3-CE2 4.46Å; W247-F300 HydrophobicContact CZ3-CZ 4.25Å; W247-F300 AromaticContact NE1-CE2 3.99Å
248	H	72.2	Confident	69.7	Low	29 Å²	29	56.6 Å²	56.6	13%	0.134	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-43.7	176.4	-171.2	60.4	0	0	0	111.3	H205 Q209 Q244 S245 F246 V250 R251 I252	H205-H248 AromaticContact CD2-NE2 3.97Å; H205-H248 AromaticContact CE1-CD2 3.76Å; H205-H248 AromaticContact CE1-NE2 3.6Å; H205-H248 AromaticContact NE2-CD2 3.18Å; H205-H248 PolarHBondContact NE2-CD2 3.36Å; H205-H248 AromaticContact NE2-NE2 2.86Å; H205-H248 PolarHBondContact NE2-NE2 3.06Å; Q209-H248 PolarHBondContact OE1-NE2 2.76Å; Q244-H248 WeakPolarHBondContact O-CB 3.31Å; Q244-H248 PolarHBondContact O-N 2.83Å; S245-H248 PolarHBondContact O-N 2.83Å; F246-H248 VanDerWaalsContact C-N 3.33Å; F246-H248 PolarHBondContact O-N 3.2Å; H248-V250 PolarHBondContact O-N 3.31Å; H248-R251 PolarHBondContact O-N 3.33Å; H248-I252 WeakPolarHBondContact NE2-CD1 3.44Å; H248-I252 VanDerWaalsContact O-CG1 3.3Å; H248-I252 WeakPolarHBondContact O-CG1 3.4Å; H248-I252 PolarHBondContact O-N 3.25Å
249	F	73.6	Confident	71.3	Confident	20 Å²	20	61 Å²	61	9%	0.088	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-48.2	174.8	167.3	-104.1	0	0	0	112.3	L231 S245 F246 W247 R251 I252 K253	L231-F249 HydrophobicContact CB-CE1 4.48Å; L231-F249 HydrophobicContact CB-CE2 3.36Å; L231-F249 HydrophobicContact CB-CZ 3.32Å; L231-F249 HydrophobicContact CD1-CE2 3.39Å; L231-F249 HydrophobicContact CD1-CZ 3.62Å; L231-F249 HydrophobicContact CD2-CE2 3.93Å; L231-F249 HydrophobicContact CG-CE2 3.72Å; L231-F249 HydrophobicContact CG-CZ 4.03Å; S245-F249 VanDerWaalsContact O-CB 3.27Å; S245-F249 WeakPolarHBondContact O-CB 3.35Å; S245-F249 PolarHBondContact O-N 3.48Å; F246-F249 HydrophobicContact CD2-CD1 4.13Å; F246-F249 HydrophobicContact CE2-CD1 4.07Å; F246-F249 HydrophobicContact CE2-CE1 4.37Å; F246-F249 WeakPolarHBondContact O-CB 2.93Å; F246-F249 PolarHBondContact O-N 3.37Å; W247-F249 VanDerWaalsContact C-N 3.33Å; F249-R251 VanDerWaalsContact C-N 3.31Å; F249-R251 PolarHBondContact O-N 2.94Å; F249-I252 PolarHBondContact O-N 3.13Å; F249-I252 VanDerWaalsContact O-N 3.08Å; F249-K253 HydrophobicContact CZ-CD 4.32Å; F249-K253 PolarHBondContact O-N 3.1Å
250	V	76.6	Confident	73	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-38.1	179.1	169.7	0	0	0	0	111.6	F246 W247 H248 K253 N254 F257 F267 M275	F246-V250 HydrophobicContact CD1-CG2 3.98Å; F246-V250 HydrophobicContact CE1-CG2 3.61Å; F246-V250 HydrophobicContact CE2-CG2 4.41Å; F246-V250 HydrophobicContact CZ-CG2 3.85Å; F246-V250 WeakPolarHBondContact O-CB 3.13Å; F246-V250 VanDerWaalsContact O-CG2 3.27Å; F246-V250 WeakPolarHBondContact O-CG2 3.49Å; F246-V250 PolarHBondContact O-N 3.36Å; W247-V250 PolarHBondContact O-N 2.74Å; H248-V250 PolarHBondContact O-N 3.31Å; V250-K253 PolarHBondContact O-N 3.1Å; V250-N254 PolarHBondContact O-N 3.25Å; V250-N254 PolarHBondContact O-ND2 3.23Å; V250-F257 HydrophobicContact CG1-CD2 3.68Å; V250-F257 HydrophobicContact CG1-CE2 3.42Å; V250-F257 VanDerWaalsContact CG1-CE2 3.42Å; V250-F267 HydrophobicContact CG1-CD1 4.01Å; V250-F267 HydrophobicContact CG1-CE1 3.89Å; V250-M275 HydrophobicContact CB-CE 4Å; V250-M275 HydrophobicContact CG1-CE 3.97Å; V250-M275 HydrophobicContact CG2-CE 3.73Å
251	R	77.1	Confident	74.4	Confident	64 Å²	64	47.7 Å²	47.7	24%	0.242	24%	0.237	C	C	.	.	H	α-helix	trans	-69.6	-28	173.8	-74.6	-169.8	-71	170	-2.4	114.4	W247 H248 F249 N254 P255 F257	W247-R251 HydrophobicContact CD2-CG 4.13Å; W247-R251 HydrophobicContact CE3-CG 4.14Å; W247-R251 HydrophobicContact CH2-CG 3.79Å; W247-R251 VanDerWaalsContact CZ2-CD 3.44Å; W247-R251 HydrophobicContact CZ2-CG 3.81Å; W247-R251 HydrophobicContact CZ3-CG 3.93Å; W247-R251 WeakPolarHBondContact O-CG 2.95Å; W247-R251 PolarHBondContact O-N 2.88Å; H248-R251 PolarHBondContact O-N 3.33Å; F249-R251 VanDerWaalsContact C-N 3.31Å; F249-R251 PolarHBondContact O-N 2.94Å; R251-N254 CarbonylContact O-C 3.6Å; R251-N254 VanDerWaalsContact O-C 3.29Å; R251-N254 VanDerWaalsContact O-O 3.11Å; R251-P255 WeakPolarHBondContact O-CA 3.22Å; R251-F257 HydrophobicContact CG-CB 3.98Å
252	I	70	Confident	75.6	Confident	23 Å²	23	42 Å²	42	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-76.4	-41.4	175.5	-67.1	163.8	0	0	0	110.3	V217 A218 I221 H248 F249 N254	V217-I252 HydrophobicContact CG1-CD1 4.11Å; A218-I252 HydrophobicContact CB-CG2 3.87Å; I221-I252 HydrophobicContact CB-CG2 4.01Å; I221-I252 HydrophobicContact CD1-CB 4.02Å; I221-I252 HydrophobicContact CD1-CD1 3.28Å; I221-I252 HydrophobicContact CD1-CG1 4.2Å; I221-I252 HydrophobicContact CD1-CG2 3.49Å; I221-I252 VanDerWaalsContact CD1-CG2 3.49Å; I221-I252 HydrophobicContact CG1-CG2 4.34Å; I221-I252 HydrophobicContact CG2-CG2 4.03Å; H248-I252 WeakPolarHBondContact NE2-CD1 3.44Å; H248-I252 VanDerWaalsContact O-CG1 3.3Å; H248-I252 WeakPolarHBondContact O-CG1 3.4Å; H248-I252 PolarHBondContact O-N 3.25Å; F249-I252 PolarHBondContact O-N 3.13Å; F249-I252 VanDerWaalsContact O-N 3.08Å; I252-N254 VanDerWaalsContact C-N 3.3Å; I252-N254 PolarHBondContact O-N 2.71Å
253	K	71.7	Confident	76.5	Confident	103 Å²	103	39.6 Å²	39.6	45%	0.448	20%	0.197	S	C	.	.	H	α-helix	trans	-61.5	-40.7	175.1	-172.2	-179.7	175.4	-172.7	0	111	F249 V250	F249-K253 HydrophobicContact CZ-CD 4.32Å; F249-K253 PolarHBondContact O-N 3.1Å; V250-K253 PolarHBondContact O-N 3.1Å
254	N	76.6	Confident	77.2	Confident	38 Å²	38	39.2 Å²	39.2	20%	0.203	20%	0.195	C	C	.	.			trans	-123.8	86.9	-179.1	-52.3	-68.6	0	0	0	110.2	V250 R251 I252 E256 F257	V250-N254 PolarHBondContact O-N 3.25Å; V250-N254 PolarHBondContact O-ND2 3.23Å; R251-N254 CarbonylContact O-C 3.6Å; R251-N254 VanDerWaalsContact O-C 3.29Å; R251-N254 VanDerWaalsContact O-O 3.11Å; I252-N254 VanDerWaalsContact C-N 3.3Å; I252-N254 PolarHBondContact O-N 2.71Å; N254-E256 HydrophobicContact CB-CG 4.25Å; N254-E256 PolarHBondContact O-N 2.78Å; N254-E256 VanDerWaalsContact O-N 3.07Å; N254-F257 HydrophobicContact CB-CD1 4.28Å; N254-F257 HydrophobicContact CB-CD2 3.76Å; N254-F257 HydrophobicContact CB-CE1 4.01Å; N254-F257 HydrophobicContact CB-CE2 3.55Å; N254-F257 HydrophobicContact CB-CG 4.14Å; N254-F257 HydrophobicContact CB-CZ 3.68Å; N254-F257 WeakPolarHBondContact O-CB 3.44Å; N254-F257 PolarHBondContact O-N 3.35Å
255	P	75.9	Confident	78.2	Confident	86 Å²	86	34.7 Å²	34.7	56%	0.558	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-62.4	-19.4	-174.4	23.7	-33.5	0	0	0	113.8	R251 F257 N258	R251-P255 WeakPolarHBondContact O-CA 3.22Å; P255-F257 PolarHBondContact O-N 2.93Å; P255-N258 WeakPolarHBondContact O-CB 3.47Å; P255-N258 PolarHBondContact O-N 2.97Å; P255-N258 VanDerWaalsContact O-N 3.15Å; P255-N258 PolarHBondContact O-ND2 3.25Å
256	E	78.8	Confident	79.3	Confident	94 Å²	94	33.5 Å²	33.5	44%	0.439	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-57.9	-28.3	172.7	67.2	-165.9	173.7	0	0	113.1	N254 N258 Q259 I260	N254-E256 HydrophobicContact CB-CG 4.25Å; N254-E256 PolarHBondContact O-N 2.78Å; N254-E256 VanDerWaalsContact O-N 3.07Å; E256-N258 PolarHBondContact O-N 2.76Å; E256-N258 VanDerWaalsContact O-N 3.12Å; E256-Q259 WeakPolarHBondContact O-CA 3.47Å; E256-Q259 PolarHBondContact O-N 3.24Å; E256-I260 HydrophobicContact CB-CD1 4.28Å; E256-I260 HydrophobicContact CG-CD1 4.23Å; E256-I260 WeakPolarHBondContact O-CG1 3.23Å; E256-I260 PolarHBondContact O-N 2.9Å
257	F	80.3	Confident	79.8	Confident	5 Å²	5	33.4 Å²	33.4	2%	0.022	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-67.1	-14.4	177.9	-62.9	-12.2	0	0	0	113.4	W247 V250 R251 N254 P255 Q259 I260 H266 F267	W247-F257 HydrophobicContact CH2-CB 4.47Å; V250-F257 HydrophobicContact CG1-CD2 3.68Å; V250-F257 HydrophobicContact CG1-CE2 3.42Å; V250-F257 VanDerWaalsContact CG1-CE2 3.42Å; R251-F257 HydrophobicContact CG-CB 3.98Å; N254-F257 HydrophobicContact CB-CD1 4.28Å; N254-F257 HydrophobicContact CB-CD2 3.76Å; N254-F257 HydrophobicContact CB-CE1 4.01Å; N254-F257 HydrophobicContact CB-CE2 3.55Å; N254-F257 HydrophobicContact CB-CG 4.14Å; N254-F257 HydrophobicContact CB-CZ 3.68Å; N254-F257 WeakPolarHBondContact O-CB 3.44Å; N254-F257 PolarHBondContact O-N 3.35Å; P255-F257 PolarHBondContact O-N 2.93Å; F257-Q259 PolarHBondContact O-N 3.08Å; F257-I260 HydrophobicContact CD1-CD1 4.34Å; F257-H266 HydrophobicContact CD1-CB 4.16Å; F257-H266 HydrophobicContact CE1-CB 3.47Å; F257-H266 VanDerWaalsContact CE1-CB 3.47Å; F257-H266 HydrophobicContact CZ-CB 4.15Å; F257-F267 HydrophobicContact CD2-CD1 4.39Å; F257-F267 AromaticContact CD2-CE1 3.96Å; F257-F267 HydrophobicContact CD2-CE1 3.96Å; F257-F267 AromaticContact CE2-CD1 3.71Å; F257-F267 HydrophobicContact CE2-CD1 3.71Å; F257-F267 AromaticContact CE2-CE1 3.75Å; F257-F267 HydrophobicContact CE2-CE1 3.75Å; F257-F267 HydrophobicContact CZ-CD1 4.03Å; F257-F267 HydrophobicContact CZ-CE1 4.33Å
258	N	73.7	Confident	80.3	Confident	76 Å²	76	35.4 Å²	35.4	41%	0.406	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-76.4	-10.7	170.8	-57.9	-63.2	0	0	0	112.7	P255 E256 A340	P255-N258 WeakPolarHBondContact O-CB 3.47Å; P255-N258 PolarHBondContact O-N 2.97Å; P255-N258 VanDerWaalsContact O-N 3.15Å; P255-N258 PolarHBondContact O-ND2 3.25Å; E256-N258 PolarHBondContact O-N 2.76Å; E256-N258 VanDerWaalsContact O-N 3.12Å; N258-A340 WeakPolarHBondContact O-CA 3.42Å; N258-A340 WeakPolarHBondContact O-CB 3.29Å
259	Q	78.9	Confident	81	Confident	123 Å²	123	35 Å²	35	58%	0.575	18%	0.177	S	C	*	.	S	Bend	trans	-117.8	1.1	-176.8	-57.1	-179.8	22.5	0	0	112.5	E256 F257 H338 G339	E256-Q259 WeakPolarHBondContact O-CA 3.47Å; E256-Q259 PolarHBondContact O-N 3.24Å; F257-Q259 PolarHBondContact O-N 3.08Å; Q259-H338 CarbonylContact O-C 3.51Å; Q259-H338 VanDerWaalsContact O-CA 3.28Å; Q259-H338 WeakPolarHBondContact O-CA 3.5Å; Q259-G339 CarbonylContact C-O 3.6Å; Q259-G339 PolarHBondContact O-N 3.2Å; Q259-G339 VanDerWaalsContact O-O 3.12Å
260	I	81.8	Confident	81.6	Confident	10 Å²	10	39.8 Å²	39.8	5%	0.051	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-114	116.3	-178.7	-61.8	164.5	0	0	0	109.2	E256 F257 F262 P263 I337 G339	E256-I260 HydrophobicContact CB-CD1 4.28Å; E256-I260 HydrophobicContact CG-CD1 4.23Å; E256-I260 WeakPolarHBondContact O-CG1 3.23Å; E256-I260 PolarHBondContact O-N 2.9Å; F257-I260 HydrophobicContact CD1-CD1 4.34Å; I260-F262 VanDerWaalsContact C-N 3.31Å; I260-F262 PolarHBondContact O-N 3.47Å; I260-P263 HydrophobicContact CG2-CB 4.28Å; I260-I337 HydrophobicContact CG2-CD1 3.97Å; I260-I337 HydrophobicContact CG2-CG1 4.44Å; I260-G339 CarbonylContact C-O 3.6Å; I260-G339 WeakPolarHBondContact CA-O 3.39Å; I260-G339 PolarHBondContact N-O 3.36Å
261	G	78.8	Confident	82.1	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-78.1	-20.4	-174.5	0	0	0	0	0	112.9	I337 G339 Y383	G261-I337 PolarHBondContact N-O 2.98Å; G261-G339 VanDerWaalsContact CA-O 3.31Å; G261-G339 WeakPolarHBondContact CA-O 3.23Å; G261-G339 PolarHBondContact N-O 3.48Å; G261-Y383 PolarHBondContact O-OH 3.49Å
262	F	86	Confident	82.7	Confident	2 Å²	2	37 Å²	37	1%	0.009	19%	0.186	C	C	.	.			trans	-128.2	75.9	175.6	-173.6	-114.4	0	0	0	110.5	I260 L264 Y265 L304 I337 V349 M353 F356 F376 I380 Y383	I260-F262 VanDerWaalsContact C-N 3.31Å; I260-F262 PolarHBondContact O-N 3.47Å; F262-L264 VanDerWaalsContact C-N 3.26Å; F262-L264 HydrophobicContact CE1-CB 4.38Å; F262-L264 HydrophobicContact CE2-CB 4.19Å; F262-L264 HydrophobicContact CE2-CD2 4.43Å; F262-L264 HydrophobicContact CZ-CB 4.04Å; F262-L264 HydrophobicContact CZ-CD2 4.04Å; F262-L264 PolarHBondContact O-N 3.24Å; F262-Y265 HydrophobicContact CD1-CD2 4.49Å; F262-Y265 AromaticContact CE1-CD2 3.68Å; F262-Y265 HydrophobicContact CE1-CD2 3.68Å; F262-Y265 AromaticContact CE1-CE2 3.72Å; F262-Y265 HydrophobicContact CE1-CE2 3.72Å; F262-Y265 HydrophobicContact CZ-CD2 4.32Å; F262-Y265 HydrophobicContact CZ-CE2 4.05Å; F262-L304 HydrophobicContact CD2-CD1 4.42Å; F262-I337 HydrophobicContact CB-CB 4.4Å; F262-I337 HydrophobicContact CB-CD1 4.28Å; F262-I337 HydrophobicContact CB-CG2 4.36Å; F262-V349 HydrophobicContact CB-CG1 4.13Å; F262-M353 HydrophobicContact CB-CE 4.09Å; F262-M353 HydrophobicContact CD1-CE 4.48Å; F262-M353 HydrophobicContact CD2-CE 4.26Å; F262-M353 HydrophobicContact CG-CE 4.03Å; F262-F356 HydrophobicContact CD1-CE1 4.18Å; F262-F376 HydrophobicContact CE1-CE2 4.47Å; F262-I380 HydrophobicContact CE1-CG1 4.33Å; F262-I380 HydrophobicContact CZ-CG1 4.37Å; F262-Y383 AromaticContact CD2-CD1 3.56Å; F262-Y383 HydrophobicContact CD2-CD1 3.56Å; F262-Y383 AromaticContact CD2-CD2 3.72Å; F262-Y383 HydrophobicContact CD2-CD2 3.72Å; F262-Y383 AromaticContact CD2-CE1 3.92Å; F262-Y383 HydrophobicContact CD2-CE1 3.92Å; F262-Y383 HydrophobicContact CD2-CE2 4.05Å; F262-Y383 AromaticContact CD2-CG 3.51Å; F262-Y383 HydrophobicContact CD2-CG 3.51Å; F262-Y383 AromaticContact CE2-CD1 3.96Å; F262-Y383 HydrophobicContact CE2-CD1 3.96Å; F262-Y383 AromaticContact CE2-CD2 3.78Å; F262-Y383 HydrophobicContact CE2-CD2 3.78Å; F262-Y383 AromaticContact CE2-CG 3.49Å; F262-Y383 HydrophobicContact CE2-CG 3.49Å; F262-Y383 VanDerWaalsContact CE2-CG 3.49Å
263	P	87.6	Confident	83.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-80.8	-0.3	-169.9	32.2	-36	0	0	0	114	W247 I260 Y265 H266 F267 L304	W247-P263 HydrophobicContact CH2-CB 4.49Å; W247-P263 HydrophobicContact CH2-CG 3.94Å; I260-P263 HydrophobicContact CG2-CB 4.28Å; P263-Y265 VanDerWaalsContact C-N 3.28Å; P263-Y265 PolarHBondContact O-N 2.98Å; P263-Y265 VanDerWaalsContact O-N 3.12Å; P263-H266 WeakPolarHBondContact O-CB 3.46Å; P263-H266 PolarHBondContact O-N 3.42Å; P263-F267 HydrophobicContact CB-CE1 4.4Å; P263-F267 HydrophobicContact CB-CZ 4.04Å; P263-F267 HydrophobicContact CG-CZ 4.08Å; P263-F267 PolarHBondContact O-N 2.96Å; P263-L304 HydrophobicContact CG-CD1 4.2Å; P263-L304 HydrophobicContact CG-CD2 3.9Å
264	L	89.5	Confident	84.4	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.016	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-50.1	-45.2	-170.8	-177.9	58	0	0	0	113.3	F262 F267 L272 L304 A308 F316 Y320	F262-L264 VanDerWaalsContact C-N 3.26Å; F262-L264 HydrophobicContact CE1-CB 4.38Å; F262-L264 HydrophobicContact CE2-CB 4.19Å; F262-L264 HydrophobicContact CE2-CD2 4.43Å; F262-L264 HydrophobicContact CZ-CB 4.04Å; F262-L264 HydrophobicContact CZ-CD2 4.04Å; F262-L264 PolarHBondContact O-N 3.24Å; L264-F267 WeakPolarHBondContact O-CD2 3.43Å; L264-L272 HydrophobicContact CD1-CD1 3.95Å; L264-L272 HydrophobicContact CD1-CD2 4.12Å; L264-L304 HydrophobicContact CB-CD1 3.78Å; L264-A308 HydrophobicContact CD1-CB 4.11Å; L264-F316 HydrophobicContact CD1-CZ 4.32Å; L264-F316 HydrophobicContact CD2-CE2 4.09Å; L264-F316 HydrophobicContact CD2-CZ 3.87Å; L264-F316 HydrophobicContact CG-CZ 4.09Å; L264-Y320 PolarHBondContact O-OH 3.12Å; L264-Y320 VanDerWaalsContact O-OH 3.07Å
265	Y	92.1	Very high	85	Confident	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-89.8	1.3	-179	-65	-79.6	0	0	0	114.3	F262 P263 F316 Y320 I323 R324 I327 F376 S379	F262-Y265 HydrophobicContact CD1-CD2 4.49Å; F262-Y265 AromaticContact CE1-CD2 3.68Å; F262-Y265 HydrophobicContact CE1-CD2 3.68Å; F262-Y265 AromaticContact CE1-CE2 3.72Å; F262-Y265 HydrophobicContact CE1-CE2 3.72Å; F262-Y265 HydrophobicContact CZ-CD2 4.32Å; F262-Y265 HydrophobicContact CZ-CE2 4.05Å; P263-Y265 VanDerWaalsContact C-N 3.28Å; P263-Y265 PolarHBondContact O-N 2.98Å; P263-Y265 VanDerWaalsContact O-N 3.12Å; Y265-F316 HydrophobicContact CE1-CE2 4.38Å; Y265-F316 HydrophobicContact CE1-CZ 4.11Å; Y265-Y320 AromaticContact CD1-CD2 3.72Å; Y265-Y320 HydrophobicContact CD1-CD2 3.72Å; Y265-Y320 AromaticContact CD1-CE2 3.67Å; Y265-Y320 HydrophobicContact CD1-CE2 3.67Å; Y265-Y320 AromaticContact CE1-CD2 3.82Å; Y265-Y320 HydrophobicContact CE1-CD2 3.82Å; Y265-Y320 HydrophobicContact CE1-CE2 4.17Å; Y265-Y320 HydrophobicContact CG-CE2 4.41Å; Y265-I323 HydrophobicContact CD1-CB 4.02Å; Y265-I323 HydrophobicContact CD1-CG2 3.64Å; Y265-I323 HydrophobicContact CD2-CG2 4.44Å; Y265-I323 HydrophobicContact CE1-CB 3.8Å; Y265-I323 HydrophobicContact CE1-CD1 3.94Å; Y265-I323 HydrophobicContact CE1-CG2 3.48Å; Y265-I323 VanDerWaalsContact CE1-CG2 3.48Å; Y265-I323 HydrophobicContact CE2-CG2 4.32Å; Y265-I323 HydrophobicContact CG-CG2 4.12Å; Y265-R324 WeakPolarHBondContact O-CD 3.43Å; Y265-R324 VanDerWaalsContact O-CG 3.23Å; Y265-R324 WeakPolarHBondContact O-CG 3.46Å; Y265-I327 VanDerWaalsContact CB-CD1 3.43Å; Y265-I327 HydrophobicContact CD1-CD1 4.41Å; Y265-I327 HydrophobicContact CD2-CD1 3.87Å; Y265-I327 HydrophobicContact CG-CD1 3.65Å; Y265-F376 HydrophobicContact CD2-CD2 4.26Å; Y265-F376 HydrophobicContact CD2-CE2 4.03Å; Y265-F376 AromaticContact CE2-CD2 3.51Å; Y265-F376 HydrophobicContact CE2-CD2 3.51Å; Y265-F376 AromaticContact CE2-CE2 3.68Å; Y265-F376 HydrophobicContact CE2-CE2 3.68Å; Y265-F376 AromaticContact CZ-CD2 3.77Å; Y265-S379 WeakPolarHBondContact CE2-OG 3.4Å; Y265-S379 WeakPolarHBondContact OH-CB 3.33Å; Y265-S379 PolarHBondContact OH-OG 2.92Å
266	H	89.5	Confident	85.7	Confident	15 Å²	15	30.5 Å²	30.5	7%	0.069	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-16.6	173.5	-68.2	76.8	0	0	0	112.3	F257 P263	F257-H266 HydrophobicContact CD1-CB 4.16Å; F257-H266 HydrophobicContact CE1-CB 3.47Å; F257-H266 VanDerWaalsContact CE1-CB 3.47Å; F257-H266 HydrophobicContact CZ-CB 4.15Å; P263-H266 WeakPolarHBondContact O-CB 3.46Å; P263-H266 PolarHBondContact O-N 3.42Å
267	F	88.8	Confident	86.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-60.2	145	170.3	-58.5	-45.6	0	0	0	110.7	W247 V250 F257 P263 L264 L272 M275 L304 Y320 R324	W247-F267 HydrophobicContact CE3-CE1 4.28Å; W247-F267 HydrophobicContact CE3-CZ 4.13Å; W247-F267 HydrophobicContact CH2-CZ 4.2Å; W247-F267 AromaticContact CZ3-CE1 3.56Å; W247-F267 HydrophobicContact CZ3-CE1 3.56Å; W247-F267 AromaticContact CZ3-CZ 3.42Å; W247-F267 HydrophobicContact CZ3-CZ 3.42Å; W247-F267 VanDerWaalsContact CZ3-CZ 3.42Å; V250-F267 HydrophobicContact CG1-CD1 4.01Å; V250-F267 HydrophobicContact CG1-CE1 3.89Å; F257-F267 HydrophobicContact CD2-CD1 4.39Å; F257-F267 AromaticContact CD2-CE1 3.96Å; F257-F267 HydrophobicContact CD2-CE1 3.96Å; F257-F267 AromaticContact CE2-CD1 3.71Å; F257-F267 HydrophobicContact CE2-CD1 3.71Å; F257-F267 AromaticContact CE2-CE1 3.75Å; F257-F267 HydrophobicContact CE2-CE1 3.75Å; F257-F267 HydrophobicContact CZ-CD1 4.03Å; F257-F267 HydrophobicContact CZ-CE1 4.33Å; P263-F267 HydrophobicContact CB-CE1 4.4Å; P263-F267 HydrophobicContact CB-CZ 4.04Å; P263-F267 HydrophobicContact CG-CZ 4.08Å; P263-F267 PolarHBondContact O-N 2.96Å; L264-F267 WeakPolarHBondContact O-CD2 3.43Å; F267-L272 HydrophobicContact CB-CB 4.12Å; F267-L272 HydrophobicContact CD2-CD1 4.09Å; F267-M275 HydrophobicContact CD1-CE 4.4Å; F267-M275 HydrophobicContact CE1-CE 4.13Å; F267-M275 HydrophobicContact CE2-SD 4.39Å; F267-M275 HydrophobicContact CZ-CE 4.29Å; F267-M275 HydrophobicContact CZ-SD 4.42Å; F267-L304 HydrophobicContact CE2-CD2 3.91Å; F267-L304 HydrophobicContact CZ-CD2 4.09Å; F267-Y320 PolarHBondContact O-OH 3.25Å; F267-R324 WeakPolarHBondContact O-CD 3.33Å; F267-R324 PolarHBondContact O-NE 3.34Å
268	N	87.6	Confident	86.4	Confident	52 Å²	52	32.1 Å²	32.1	28%	0.278	15%	0.154	S	C	.	.			trans	-71.8	155.7	160.3	61.7	63.6	0	0	0	108.6	Y270 D271 L272	N268-Y270 VanDerWaalsContact C-N 3.25Å; N268-Y270 PolarHBondContact O-N 3.38Å; N268-Y270 PolarHBondContact OD1-N 3Å; N268-D271 VanDerWaalsContact ND2-CG 3.33Å; N268-D271 PolarHBondContact ND2-OD2 3.26Å; N268-D271 PolarHBondContact O-N 3.4Å; N268-D271 WeakPolarHBondContact OD1-CB 3.25Å; N268-D271 PolarHBondContact OD1-N 2.98Å; N268-D271 PolarHBondContact OD1-OD2 2.85Å; N268-L272 PolarHBondContact O-N 2.87Å
269	G	86.8	Confident	86.8	Confident	19 Å²	19	28.7 Å²	28.7	20%	0.196	14%	0.136	C	C	.	.	H	α-helix	trans	-55.8	-41.9	-176.3	0	0	0	0	0	112.6	L272 E273	G269-L272 PolarHBondContact O-N 3Å; G269-E273 WeakPolarHBondContact O-CG 3.09Å; G269-E273 PolarHBondContact O-N 2.73Å
270	Y	86.1	Confident	87.1	Confident	121 Å²	121	26 Å²	26	48%	0.475	12%	0.124	S	C	.	.	H	α-helix	trans	-60.4	-47.4	179.2	177.6	-94.9	0	0	0	113.3	N268 L272 E273 R274	N268-Y270 VanDerWaalsContact C-N 3.25Å; N268-Y270 PolarHBondContact O-N 3.38Å; N268-Y270 PolarHBondContact OD1-N 3Å; Y270-L272 VanDerWaalsContact C-N 3.3Å; Y270-L272 PolarHBondContact O-N 2.96Å; Y270-E273 PolarHBondContact O-N 3.37Å; Y270-R274 WeakPolarHBondContact O-CB 3.41Å; Y270-R274 PolarHBondContact O-N 2.57Å
271	D	87.2	Confident	87.2	Confident	6 Å²	6	30 Å²	30	3%	0.032	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-37.9	178.8	-73	-21	0	0	0	110.6	F246 N268 M275	F246-D271 HydrophobicContact CE1-CB 4.42Å; F246-D271 HydrophobicContact CZ-CB 4.39Å; N268-D271 VanDerWaalsContact ND2-CG 3.33Å; N268-D271 PolarHBondContact ND2-OD2 3.26Å; N268-D271 PolarHBondContact O-N 3.4Å; N268-D271 WeakPolarHBondContact OD1-CB 3.25Å; N268-D271 PolarHBondContact OD1-N 2.98Å; N268-D271 PolarHBondContact OD1-OD2 2.85Å; D271-M275 VanDerWaalsContact O-CG 3.31Å; D271-M275 WeakPolarHBondContact O-CG 3.04Å; D271-M275 PolarHBondContact O-N 3.2Å
272	L	90.1	Very high	87.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-70.2	-43.1	177.3	-176.7	57.8	0	0	0	112.2	L264 F267 N268 G269 Y270 R274 M275 C276 L305 F316 F317 Y320	L264-L272 HydrophobicContact CD1-CD1 3.95Å; L264-L272 HydrophobicContact CD1-CD2 4.12Å; F267-L272 HydrophobicContact CB-CB 4.12Å; F267-L272 HydrophobicContact CD2-CD1 4.09Å; N268-L272 PolarHBondContact O-N 2.87Å; G269-L272 PolarHBondContact O-N 3Å; Y270-L272 VanDerWaalsContact C-N 3.3Å; Y270-L272 PolarHBondContact O-N 2.96Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 3.25Å; L272-M275 WeakPolarHBondContact O-CB 3.49Å; L272-M275 PolarHBondContact O-N 3.07Å; L272-C276 PolarHBondContact O-N 3.11Å; L272-C276 PolarHBondContact O-SG 3.24Å; L272-C276 VanDerWaalsContact O-SG 3.33Å; L272-L305 HydrophobicContact CD1-CD2 3.6Å; L272-F316 HydrophobicContact CD2-CE1 3.79Å; L272-F316 HydrophobicContact CD2-CZ 4.48Å; L272-F317 HydrophobicContact CB-CE1 4.34Å; L272-F317 HydrophobicContact CB-CZ 4.34Å; L272-F317 HydrophobicContact CD2-CE1 3.98Å; L272-F317 HydrophobicContact CD2-CZ 4.05Å; L272-F317 HydrophobicContact CG-CE1 4.09Å; L272-F317 HydrophobicContact CG-CZ 3.82Å; L272-Y320 HydrophobicContact CD2-CD2 4.05Å; L272-Y320 HydrophobicContact CD2-CE1 4.43Å; L272-Y320 HydrophobicContact CD2-CE2 3.53Å
273	E	90.4	Very high	86.6	Confident	90 Å²	90	35.7 Å²	35.7	42%	0.421	17%	0.174	S	C	.	.	H	α-helix	trans	-58.4	-47	173.8	-76.1	175.5	173.9	0	0	111	G269 Y270 M275 C276 E277 F317	G269-E273 WeakPolarHBondContact O-CG 3.09Å; G269-E273 PolarHBondContact O-N 2.73Å; Y270-E273 PolarHBondContact O-N 3.37Å; E273-M275 VanDerWaalsContact C-N 3.34Å; E273-M275 PolarHBondContact O-N 3.11Å; E273-C276 CarbonylContact O-C 3.46Å; E273-C276 WeakPolarHBondContact O-CA 3.02Å; E273-C276 WeakPolarHBondContact O-CB 2.93Å; E273-C276 PolarHBondContact O-N 2.59Å; E273-E277 PolarHBondContact O-N 2.91Å; E273-F317 HydrophobicContact CB-CZ 4.39Å; E273-F317 HydrophobicContact CG-CD1 4.25Å; E273-F317 HydrophobicContact CG-CE1 3.56Å; E273-F317 HydrophobicContact CG-CE2 4.21Å; E273-F317 HydrophobicContact CG-CZ 3.54Å
274	R	86.8	Confident	86.2	Confident	23 Å²	23	43.4 Å²	43.4	9%	0.087	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-39.9	176.6	-173.4	169.1	-179.3	175.5	0.3	112.2	E232 D236 F246 Y270 L272 C276 E277 M278	E232-R274 PolarHBondContact O-NH2 3.26Å; D236-R274 IonicContact OD1-CZ 2.85Å; D236-R274 IonicContact OD1-NH2 3.92Å; D236-R274 PolarHBondContact OD1-NH2 3.32Å; D236-R274 IonicContact OD2-NH2 3.67Å; D236-R274 PolarHBondContact OD2-NH2 2.92Å; F246-R274 HydrophobicContact CE1-CB 4.45Å; F246-R274 HydrophobicContact CE1-CG 4.45Å; F246-R274 HydrophobicContact CE2-CG 4.34Å; F246-R274 HydrophobicContact CZ-CB 4.25Å; F246-R274 HydrophobicContact CZ-CG 4.1Å; Y270-R274 WeakPolarHBondContact O-CB 3.41Å; Y270-R274 PolarHBondContact O-N 2.57Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 3.25Å; R274-C276 VanDerWaalsContact C-N 3.32Å; R274-C276 PolarHBondContact O-N 3.04Å; R274-E277 PolarHBondContact O-N 2.04Å; R274-M278 HydrophobicContact CG-CE 4.03Å; R274-M278 WeakPolarHBondContact O-CG 3.24Å; R274-M278 PolarHBondContact O-N 3.13Å
275	M	87.9	Confident	85.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-42	171.4	-75.7	-176.3	-163.4	0	0	111.5	L243 F246 W247 V250 F267 D271 L272 E273 M278 V279 L305	L243-M275 HydrophobicContact CD1-CB 4.14Å; L243-M275 HydrophobicContact CD1-CG 4.12Å; F246-M275 HydrophobicContact CD1-CE 3.83Å; F246-M275 HydrophobicContact CD1-CG 3.58Å; F246-M275 HydrophobicContact CE1-CE 3.79Å; F246-M275 HydrophobicContact CE1-CG 3.66Å; W247-M275 HydrophobicContact CE3-CE 4.15Å; V250-M275 HydrophobicContact CB-CE 4Å; V250-M275 HydrophobicContact CG1-CE 3.97Å; V250-M275 HydrophobicContact CG2-CE 3.73Å; F267-M275 HydrophobicContact CD1-CE 4.4Å; F267-M275 HydrophobicContact CE1-CE 4.13Å; F267-M275 HydrophobicContact CE2-SD 4.39Å; F267-M275 HydrophobicContact CZ-CE 4.29Å; F267-M275 HydrophobicContact CZ-SD 4.42Å; D271-M275 VanDerWaalsContact O-CG 3.31Å; D271-M275 WeakPolarHBondContact O-CG 3.04Å; D271-M275 PolarHBondContact O-N 3.2Å; L272-M275 WeakPolarHBondContact O-CB 3.49Å; L272-M275 PolarHBondContact O-N 3.07Å; E273-M275 VanDerWaalsContact C-N 3.34Å; E273-M275 PolarHBondContact O-N 3.11Å; M275-M278 PolarHBondContact O-N 3.05Å; M275-V279 VanDerWaalsContact O-CG2 3.32Å; M275-V279 WeakPolarHBondContact O-CG2 3.39Å; M275-V279 PolarHBondContact O-N 3.41Å; M275-L305 HydrophobicContact CB-CD1 4.04Å; M275-L305 HydrophobicContact CB-CD2 4.36Å; M275-L305 HydrophobicContact SD-CD1 4.35Å; M275-L305 HydrophobicContact SD-CD2 4.25Å
276	C	90.1	Very high	84.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-41.1	177.1	-67.5	0	0	0	0	112.6	L272 E273 R274 M278 V279 Q280 C309	L272-C276 PolarHBondContact O-N 3.11Å; L272-C276 PolarHBondContact O-SG 3.24Å; L272-C276 VanDerWaalsContact O-SG 3.33Å; E273-C276 CarbonylContact O-C 3.46Å; E273-C276 WeakPolarHBondContact O-CA 3.02Å; E273-C276 WeakPolarHBondContact O-CB 2.93Å; E273-C276 PolarHBondContact O-N 2.59Å; R274-C276 VanDerWaalsContact C-N 3.32Å; R274-C276 PolarHBondContact O-N 3.04Å; C276-M278 VanDerWaalsContact C-N 3.34Å; C276-M278 PolarHBondContact O-N 3.31Å; C276-V279 PolarHBondContact O-N 3.23Å; C276-Q280 WeakPolarHBondContact O-CG 3.24Å; C276-Q280 PolarHBondContact O-N 2.92Å; C276-C309 WeakPolarHBondContact CA-SG 3.36Å; C276-C309 HydrophobicContact CB-CB 3.53Å; C276-C309 WeakPolarHBondContact CB-SG 3.13Å; C276-C309 WeakPolarHBondContact SG-CA 3.27Å; C276-C309 WeakPolarHBondContact SG-CB 2.94Å; C276-C309 CovalentContact SG-SG 2.03Å; C276-C309 PolarHBondContact SG-SG 3.5Å
277	E	88.4	Confident	83.5	Confident	116 Å²	116	53.8 Å²	53.8	54%	0.542	28%	0.281	S	S	.	.	H	α-helix	trans	-58.8	-45.7	173.1	-70.1	177.4	173.5	0	0	111.5	E273 R274 V279 Q280 N281	E273-E277 PolarHBondContact O-N 2.91Å; R274-E277 PolarHBondContact O-N 2.04Å; E277-V279 PolarHBondContact O-N 3.35Å; E277-Q280 PolarHBondContact O-N 3.16Å; E277-N281 WeakPolarHBondContact O-CB 3.43Å; E277-N281 PolarHBondContact O-N 3.23Å; E277-N281 PolarHBondContact O-ND2 3.15Å
278	M	85.6	Confident	82.2	Confident	17 Å²	17	55.9 Å²	55.9	8%	0.084	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-43.5	175.9	-69	179.9	-178.1	0	0	111.9	P242 L243 F246 R274 M275 C276 N281 V282	P242-M278 HydrophobicContact CB-SD 4.49Å; L243-M278 HydrophobicContact CB-CB 4.44Å; L243-M278 HydrophobicContact CD1-CB 4.12Å; L243-M278 HydrophobicContact CD1-SD 4.42Å; F246-M278 HydrophobicContact CB-CE 3.84Å; F246-M278 HydrophobicContact CB-SD 3.65Å; F246-M278 HydrophobicContact CD1-CE 4.43Å; F246-M278 HydrophobicContact CD1-SD 4.25Å; F246-M278 HydrophobicContact CD2-CE 3.84Å; F246-M278 HydrophobicContact CG-CE 3.77Å; F246-M278 HydrophobicContact CG-SD 3.92Å; R274-M278 HydrophobicContact CG-CE 4.03Å; R274-M278 WeakPolarHBondContact O-CG 3.24Å; R274-M278 PolarHBondContact O-N 3.13Å; M275-M278 PolarHBondContact O-N 3.05Å; C276-M278 VanDerWaalsContact C-N 3.34Å; C276-M278 PolarHBondContact O-N 3.31Å; M278-N281 PolarHBondContact O-N 2.84Å; M278-V282 VanDerWaalsContact O-CG2 3.31Å; M278-V282 WeakPolarHBondContact O-CG2 3.42Å; M278-V282 PolarHBondContact O-N 2.88Å
279	V	83.6	Confident	80.9	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.024	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-45	176.3	169.5	0	0	0	0	111.2	L243 M275 C276 E277 N281 V282 K283 T301 L305 C309	L243-V279 HydrophobicContact CD1-CG2 4.25Å; L243-V279 HydrophobicContact CD2-CG2 3.65Å; M275-V279 VanDerWaalsContact O-CG2 3.32Å; M275-V279 WeakPolarHBondContact O-CG2 3.39Å; M275-V279 PolarHBondContact O-N 3.41Å; C276-V279 PolarHBondContact O-N 3.23Å; E277-V279 PolarHBondContact O-N 3.35Å; V279-N281 VanDerWaalsContact C-N 3.35Å; V279-V282 PolarHBondContact O-N 2.85Å; V279-K283 HydrophobicContact CG1-CD 4.21Å; V279-K283 WeakPolarHBondContact O-CG 3.49Å; V279-K283 PolarHBondContact O-N 3.23Å; V279-T301 HydrophobicContact CB-CG2 4.37Å; V279-T301 HydrophobicContact CG1-CG2 3.74Å; V279-T301 HydrophobicContact CG2-CG2 3.63Å; V279-L305 HydrophobicContact CG2-CB 4.42Å; V279-L305 HydrophobicContact CG2-CD1 3.79Å; V279-C309 HydrophobicContact CG1-CB 4.44Å
280	Q	84.5	Confident	79.5	Confident	68 Å²	68	57.8 Å²	57.8	32%	0.318	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-41.3	177.3	-71.6	-179.4	11	0	0	111.7	C276 E277 K283 K284	C276-Q280 WeakPolarHBondContact O-CG 3.24Å; C276-Q280 PolarHBondContact O-N 2.92Å; E277-Q280 PolarHBondContact O-N 3.16Å; Q280-K283 PolarHBondContact O-N 3.09Å; Q280-K284 WeakPolarHBondContact O-CB 3.37Å; Q280-K284 VanDerWaalsContact O-CG 3.29Å; Q280-K284 WeakPolarHBondContact O-CG 3.27Å; Q280-K284 PolarHBondContact O-N 2.92Å
281	N	83	Confident	78.1	Confident	94 Å²	94	60.3 Å²	60.3	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-62.8	-43.1	176.4	-72.9	-20.8	0	0	0	111.7	E277 M278 V279 K284 S285	E277-N281 WeakPolarHBondContact O-CB 3.43Å; E277-N281 PolarHBondContact O-N 3.23Å; E277-N281 PolarHBondContact O-ND2 3.15Å; M278-N281 PolarHBondContact O-N 2.84Å; V279-N281 VanDerWaalsContact C-N 3.35Å; N281-K284 PolarHBondContact O-N 3.45Å; N281-S285 WeakPolarHBondContact O-CB 3.27Å; N281-S285 PolarHBondContact O-N 3.43Å; N281-S285 PolarHBondContact O-OG 3.06Å
282	V	77.6	Confident	77	Confident	44 Å²	44	62.3 Å²	62.3	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-43.7	175	171.5	0	0	0	0	111.5	M278 V279 K284 S285 C286 V289	M278-V282 VanDerWaalsContact O-CG2 3.31Å; M278-V282 WeakPolarHBondContact O-CG2 3.42Å; M278-V282 PolarHBondContact O-N 2.88Å; V279-V282 PolarHBondContact O-N 2.85Å; V282-K284 VanDerWaalsContact C-N 3.29Å; V282-K284 PolarHBondContact O-N 2.66Å; V282-S285 PolarHBondContact O-N 2.6Å; V282-S285 PolarHBondContact O-OG 2.84Å; V282-C286 PolarHBondContact O-N 3.37Å; V282-V289 HydrophobicContact CG1-CG1 4.4Å; V282-V289 HydrophobicContact CG1-CG2 4.01Å
283	K	76.3	Confident	75.7	Confident	77 Å²	77	63.7 Å²	63.7	34%	0.335	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-38.1	176	-75.9	178.7	179	180	0	112.1	V279 Q280	V279-K283 HydrophobicContact CG1-CD 4.21Å; V279-K283 WeakPolarHBondContact O-CG 3.49Å; V279-K283 PolarHBondContact O-N 3.23Å; Q280-K283 PolarHBondContact O-N 3.09Å
284	K	79.1	Confident	74.4	Confident	161 Å²	161	63.5 Å²	63.5	70%	0.7	34%	0.344	S	S	*	.	H	α-helix	trans	-71.1	-41.3	177.1	-73.6	172.5	-176.6	173.3	0	112.6	Q280 N281 V282	Q280-K284 WeakPolarHBondContact O-CB 3.37Å; Q280-K284 VanDerWaalsContact O-CG 3.29Å; Q280-K284 WeakPolarHBondContact O-CG 3.27Å; Q280-K284 PolarHBondContact O-N 2.92Å; N281-K284 PolarHBondContact O-N 3.45Å; V282-K284 VanDerWaalsContact C-N 3.29Å; V282-K284 PolarHBondContact O-N 2.66Å
285	S	77.1	Confident	73.3	Confident	98 Å²	98	66.4 Å²	66.4	69%	0.685	36%	0.361	S	S	*	.	H	α-helix	trans	-84.3	-26.9	-175.3	64.4	0	0	0	0	113.7	N281 V282	N281-S285 WeakPolarHBondContact O-CB 3.27Å; N281-S285 PolarHBondContact O-N 3.43Å; N281-S285 PolarHBondContact O-OG 3.06Å; V282-S285 PolarHBondContact O-N 2.6Å; V282-S285 PolarHBondContact O-OG 2.84Å
286	C	69.5	Low	72.1	Confident	55 Å²	55	69.9 Å²	69.9	37%	0.372	38%	0.383	S	S	.	.			trans	-143.1	85.2	-176.1	-164.3	0	0	0	0	111.9	V282 A288 V289	V282-C286 PolarHBondContact O-N 3.37Å; C286-A288 PolarHBondContact O-N 3.37Å; C286-V289 HydrophobicContact CB-CG2 3.73Å; C286-V289 WeakPolarHBondContact O-CB 3.35Å; C286-V289 WeakPolarHBondContact O-CG2 3.37Å; C286-V289 PolarHBondContact O-N 3.21Å
287	S	66.6	Low	71.1	Confident	84 Å²	84	71.7 Å²	71.7	59%	0.587	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-60.8	-23.9	174.4	57	0	0	0	0	113.2	V289	S287-V289 VanDerWaalsContact C-N 3.27Å; S287-V289 PolarHBondContact O-N 2.63Å
288	A	61.1	Low	70.3	Confident	44 Å²	44	66.5 Å²	66.5	36%	0.364	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-69.4	-18.5	178.3	0	0	0	0	0	114.1	C286 Q290 R291	C286-A288 PolarHBondContact O-N 3.37Å; A288-Q290 PolarHBondContact O-N 2.85Å; A288-R291 WeakPolarHBondContact O-CA 3.01Å; A288-R291 WeakPolarHBondContact O-CB 3.41Å; A288-R291 PolarHBondContact O-N 3.25Å
289	V	60.5	Low	69.5	Low	46 Å²	46	67 Å²	67	28%	0.279	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-57.7	-32.7	178.6	173.5	0	0	0	0	111.5	V282 C286 S287 R291 C292 V298	V282-V289 HydrophobicContact CG1-CG1 4.4Å; V282-V289 HydrophobicContact CG1-CG2 4.01Å; C286-V289 HydrophobicContact CB-CG2 3.73Å; C286-V289 WeakPolarHBondContact O-CB 3.35Å; C286-V289 WeakPolarHBondContact O-CG2 3.37Å; C286-V289 PolarHBondContact O-N 3.21Å; S287-V289 VanDerWaalsContact C-N 3.27Å; S287-V289 PolarHBondContact O-N 2.63Å; V289-R291 PolarHBondContact O-N 2.83Å; V289-C292 PolarHBondContact O-N 2.98Å; V289-V298 HydrophobicContact CG1-CG2 3.55Å
290	Q	58	Low	69	Low	65 Å²	65	66.9 Å²	66.9	30%	0.304	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-67.5	-21.7	177	-69.2	175.5	-23.7	0	0	113.2	A288 C292 L549	A288-Q290 PolarHBondContact O-N 2.85Å; Q290-C292 VanDerWaalsContact C-N 3.28Å; Q290-C292 PolarHBondContact O-N 3.11Å; Q290-L549 HydrophobicContact CB-CD1 3.73Å; Q290-L549 HydrophobicContact CG-CD1 3.67Å
291	R	57.8	Low	68.7	Low	174 Å²	174	64.5 Å²	64.5	66%	0.657	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-86.7	6.3	177.3	-55.6	-178.9	-177.6	169.4	-1	113.4	A288 V289 P293	A288-R291 WeakPolarHBondContact O-CA 3.01Å; A288-R291 WeakPolarHBondContact O-CB 3.41Å; A288-R291 PolarHBondContact O-N 3.25Å; V289-R291 PolarHBondContact O-N 2.83Å; R291-P293 WeakPolarHBondContact O-CD 3.16Å
292	C	63.8	Low	68.3	Low	49 Å²	49	63.4 Å²	63.4	33%	0.331	35%	0.354	S	S	.	.			trans	-122.9	59.1	-179.3	-62.1	0	0	0	0	111.3	V289 Q290 S294 L295	V289-C292 PolarHBondContact O-N 2.98Å; Q290-C292 VanDerWaalsContact C-N 3.28Å; Q290-C292 PolarHBondContact O-N 3.11Å; C292-S294 PolarHBondContact O-N 2.94Å; C292-S294 VanDerWaalsContact O-N 3.12Å; C292-L295 HydrophobicContact CB-CD1 3.66Å; C292-L295 HydrophobicContact CB-CG 3.99Å; C292-L295 WeakPolarHBondContact O-CB 3.48Å; C292-L295 PolarHBondContact O-N 3.16Å
293	P	62.8	Low	68.1	Low	29 Å²	29	62.3 Å²	62.3	19%	0.188	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.1	-174.8	29.2	-36.7	0	0	0	113.5	R291 L295 Q299	R291-P293 WeakPolarHBondContact O-CD 3.16Å; P293-L295 VanDerWaalsContact C-N 3.29Å; P293-Q299 WeakPolarHBondContact O-CG 3.29Å; P293-Q299 PolarHBondContact O-NE2 3.22Å; P293-Q299 VanDerWaalsContact O-NE2 3.09Å
294	S	61.9	Low	68.4	Low	86 Å²	86	58.8 Å²	58.8	60%	0.601	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-18.6	175	56	0	0	0	0	113.3	C292 P296	C292-S294 PolarHBondContact O-N 2.94Å; C292-S294 VanDerWaalsContact O-N 3.12Å; S294-P296 WeakPolarHBondContact O-CD 3.45Å
295	L	63.7	Low	68.7	Low	84 Å²	84	51.1 Å²	51.1	44%	0.44	30%	0.301	S	S	.	.	S	Bend	trans	-70.7	126.8	-179.3	-73.2	177	0	0	0	110.5	C292 P293 I297 V298 Q299	C292-L295 HydrophobicContact CB-CD1 3.66Å; C292-L295 HydrophobicContact CB-CG 3.99Å; C292-L295 WeakPolarHBondContact O-CB 3.48Å; C292-L295 PolarHBondContact O-N 3.16Å; P293-L295 VanDerWaalsContact C-N 3.29Å; L295-I297 HydrophobicContact CB-CG2 4.45Å; L295-I297 PolarHBondContact O-N 2.95Å; L295-I297 VanDerWaalsContact O-N 3.13Å; L295-V298 HydrophobicContact CB-CB 4.22Å; L295-V298 HydrophobicContact CB-CG2 3.82Å; L295-V298 HydrophobicContact CD1-CG2 4.41Å; L295-V298 WeakPolarHBondContact O-CA 3.46Å; L295-V298 WeakPolarHBondContact O-CB 3.27Å; L295-V298 PolarHBondContact O-N 3.34Å; L295-Q299 PolarHBondContact O-N 3.02Å
296	P	63.6	Low	68.9	Low	72 Å²	72	47.6 Å²	47.6	47%	0.468	28%	0.281	S	S	.	.	H	α-helix	trans	-52.2	-38.1	-179.2	-33.3	38.3	0	0	0	115.1	S294 Q299 F300 P343	S294-P296 WeakPolarHBondContact O-CD 3.45Å; P296-Q299 PolarHBondContact O-N 3.16Å; P296-F300 WeakPolarHBondContact O-CB 3.41Å; P296-F300 PolarHBondContact O-N 3.25Å; P296-P343 HydrophobicContact CB-CB 3.58Å; P296-P343 HydrophobicContact CB-CG 3.57Å; P296-P343 HydrophobicContact CG-CB 4.42Å
297	I	68.9	Low	69.5	Low	39 Å²	39	46.1 Å²	46.1	20%	0.2	27%	0.268	C	S	.	.	H	α-helix	trans	-69.9	-33.5	177.8	-169.1	62.9	0	0	0	112.1	L243 Q244 L295 F300 T301	L243-I297 HydrophobicContact CD2-CD1 4.37Å; L243-I297 HydrophobicContact CG-CD1 4.45Å; Q244-I297 HydrophobicContact CB-CD1 3.94Å; L295-I297 HydrophobicContact CB-CG2 4.45Å; L295-I297 PolarHBondContact O-N 2.95Å; L295-I297 VanDerWaalsContact O-N 3.13Å; I297-F300 HydrophobicContact CD1-CD1 4.07Å; I297-F300 WeakPolarHBondContact O-CB 3.48Å; I297-F300 PolarHBondContact O-N 2.8Å; I297-T301 WeakPolarHBondContact O-CB 3.34Å; I297-T301 PolarHBondContact O-N 3.4Å; I297-T301 PolarHBondContact O-OG1 3.33Å
298	V	72.2	Confident	70.5	Confident	6 Å²	6	42.1 Å²	42.1	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-41.7	175.9	178.2	0	0	0	0	109.8	V289 L295 F300 T301 N302	V289-V298 HydrophobicContact CG1-CG2 3.55Å; L295-V298 HydrophobicContact CB-CB 4.22Å; L295-V298 HydrophobicContact CB-CG2 3.82Å; L295-V298 HydrophobicContact CD1-CG2 4.41Å; L295-V298 WeakPolarHBondContact O-CA 3.46Å; L295-V298 WeakPolarHBondContact O-CB 3.27Å; L295-V298 PolarHBondContact O-N 3.34Å; V298-F300 VanDerWaalsContact C-N 3.34Å; V298-F300 PolarHBondContact O-N 3.38Å; V298-T301 PolarHBondContact O-N 3.45Å; V298-N302 VanDerWaalsContact O-CB 3.27Å; V298-N302 WeakPolarHBondContact O-CB 3.14Å; V298-N302 PolarHBondContact O-N 3.46Å
299	Q	68.8	Low	71.8	Confident	28 Å²	28	40.2 Å²	40.2	13%	0.131	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-43.8	173.2	-64.2	-179.3	-1.2	0	0	111.7	P293 L295 P296 A303	P293-Q299 WeakPolarHBondContact O-CG 3.29Å; P293-Q299 PolarHBondContact O-NE2 3.22Å; P293-Q299 VanDerWaalsContact O-NE2 3.09Å; L295-Q299 PolarHBondContact O-N 3.02Å; P296-Q299 PolarHBondContact O-N 3.16Å; Q299-A303 WeakPolarHBondContact O-CB 3.5Å; Q299-A303 PolarHBondContact O-N 2.79Å
300	F	72.8	Confident	72.9	Confident	2 Å²	2	39 Å²	39	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-56.1	-56.1	173.5	177.1	-108.5	0	0	0	111.7	W247 P296 I297 V298 N302 A303 L304 L305 W341	W247-F300 HydrophobicContact CB-CE1 4.34Å; W247-F300 HydrophobicContact CB-CZ 4.38Å; W247-F300 HydrophobicContact CD2-CE1 4.31Å; W247-F300 AromaticContact CD2-CE2 3.89Å; W247-F300 HydrophobicContact CD2-CE2 3.89Å; W247-F300 AromaticContact CD2-CZ 3.51Å; W247-F300 HydrophobicContact CD2-CZ 3.51Å; W247-F300 AromaticContact CE2-CE2 3.64Å; W247-F300 AromaticContact CE2-CZ 3.8Å; W247-F300 HydrophobicContact CE3-CE2 4.27Å; W247-F300 AromaticContact CE3-CZ 3.74Å; W247-F300 HydrophobicContact CE3-CZ 3.74Å; W247-F300 HydrophobicContact CG-CE1 4.17Å; W247-F300 HydrophobicContact CG-CE2 4.37Å; W247-F300 AromaticContact CG-CZ 3.83Å; W247-F300 HydrophobicContact CG-CZ 3.83Å; W247-F300 HydrophobicContact CH2-CE2 4.25Å; W247-F300 HydrophobicContact CH2-CZ 4.49Å; W247-F300 AromaticContact CZ2-CE2 3.82Å; W247-F300 HydrophobicContact CZ2-CE2 3.82Å; W247-F300 HydrophobicContact CZ2-CZ 4.27Å; W247-F300 HydrophobicContact CZ3-CE2 4.46Å; W247-F300 HydrophobicContact CZ3-CZ 4.25Å; W247-F300 AromaticContact NE1-CE2 3.99Å; P296-F300 WeakPolarHBondContact O-CB 3.41Å; P296-F300 PolarHBondContact O-N 3.25Å; I297-F300 HydrophobicContact CD1-CD1 4.07Å; I297-F300 WeakPolarHBondContact O-CB 3.48Å; I297-F300 PolarHBondContact O-N 2.8Å; V298-F300 VanDerWaalsContact C-N 3.34Å; V298-F300 PolarHBondContact O-N 3.38Å; F300-N302 VanDerWaalsContact C-N 3.34Å; F300-N302 PolarHBondContact O-N 3.42Å; F300-A303 PolarHBondContact O-N 3.36Å; F300-L304 HydrophobicContact CD2-CB 4.45Å; F300-L304 HydrophobicContact CD2-CD2 4.19Å; F300-L304 HydrophobicContact CE2-CB 4.35Å; F300-L304 HydrophobicContact CE2-CD2 3.34Å; F300-L304 HydrophobicContact CE2-CG 4.48Å; F300-L304 HydrophobicContact CZ-CD2 3.6Å; F300-L304 WeakPolarHBondContact O-CB 3.38Å; F300-L304 PolarHBondContact O-N 2.88Å; F300-L305 HydrophobicContact CE1-CD1 4.03Å; F300-W341 VanDerWaalsContact CA-CZ2 3.46Å; F300-W341 HydrophobicContact CB-CH2 3.24Å; F300-W341 HydrophobicContact CB-CZ2 3.89Å; F300-W341 HydrophobicContact CB-CZ3 3.69Å; F300-W341 AromaticContact CD2-CD2 3.85Å; F300-W341 HydrophobicContact CD2-CD2 3.85Å; F300-W341 AromaticContact CD2-CE2 3.92Å; F300-W341 AromaticContact CD2-CE3 3.51Å; F300-W341 HydrophobicContact CD2-CE3 3.51Å; F300-W341 AromaticContact CD2-CH2 3.48Å; F300-W341 HydrophobicContact CD2-CH2 3.48Å; F300-W341 VanDerWaalsContact CD2-CH2 3.48Å; F300-W341 AromaticContact CD2-CZ2 3.78Å; F300-W341 HydrophobicContact CD2-CZ2 3.78Å; F300-W341 AromaticContact CD2-CZ3 3.29Å; F300-W341 HydrophobicContact CD2-CZ3 3.29Å; F300-W341 HydrophobicContact CE2-CD2 4.33Å; F300-W341 HydrophobicContact CE2-CE3 4.07Å; F300-W341 HydrophobicContact CE2-CZ3 4.23Å; F300-W341 HydrophobicContact CG-CE3 4.5Å; F300-W341 AromaticContact CG-CH2 3.82Å; F300-W341 HydrophobicContact CG-CH2 3.82Å; F300-W341 HydrophobicContact CG-CZ2 4.33Å; F300-W341 AromaticContact CG-CZ3 3.86Å; F300-W341 HydrophobicContact CG-CZ3 3.86Å
301	T	78	Confident	74	Confident	18 Å²	18	44 Å²	44	11%	0.11	24%	0.244	C	C	.	.	I	π-helix	trans	-60	-46	-177.8	-62.3	0	0	0	0	110.8	L243 V279 I297 V298 L305 G306	L243-T301 WeakPolarHBondContact CD2-OG1 3.26Å; V279-T301 HydrophobicContact CB-CG2 4.37Å; V279-T301 HydrophobicContact CG1-CG2 3.74Å; V279-T301 HydrophobicContact CG2-CG2 3.63Å; I297-T301 WeakPolarHBondContact O-CB 3.34Å; I297-T301 PolarHBondContact O-N 3.4Å; I297-T301 PolarHBondContact O-OG1 3.33Å; V298-T301 PolarHBondContact O-N 3.45Å; T301-L305 HydrophobicContact CG2-CB 4.49Å; T301-L305 CarbonylContact O-C 2.93Å; T301-L305 VanDerWaalsContact O-C 3.3Å; T301-L305 WeakPolarHBondContact O-CA 3.5Å; T301-L305 WeakPolarHBondContact O-CB 3.36Å; T301-L305 PolarHBondContact O-N 3.4Å; T301-G306 PolarHBondContact O-N 3.31Å
302	N	75	Confident	75	Confident	70 Å²	70	39 Å²	39	37%	0.374	23%	0.227	S	C	.	.	I	π-helix	trans	-67.9	-44.7	-177.8	-71.3	-11.1	0	0	0	112.1	V298 F300 G306	V298-N302 VanDerWaalsContact O-CB 3.27Å; V298-N302 WeakPolarHBondContact O-CB 3.14Å; V298-N302 PolarHBondContact O-N 3.46Å; F300-N302 VanDerWaalsContact C-N 3.34Å; F300-N302 PolarHBondContact O-N 3.42Å; N302-G306 PolarHBondContact O-N 2.88Å
303	A	73.1	Confident	76.1	Confident	21 Å²	21	38.6 Å²	38.6	17%	0.174	22%	0.221	C	C	.	.	I	π-helix	trans	-72.2	-47.6	-177.3	0	0	0	0	0	112.4	Q299 F300 Y383	Q299-A303 WeakPolarHBondContact O-CB 3.5Å; Q299-A303 PolarHBondContact O-N 2.79Å; F300-A303 PolarHBondContact O-N 3.36Å; A303-Y383 HydrophobicContact CB-CD2 4.19Å; A303-Y383 HydrophobicContact CB-CE2 4.22Å; A303-Y383 WeakPolarHBondContact O-CD2 3.48Å
304	L	81.4	Confident	77.2	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.016	25%	0.25	C	S	.	.	I	π-helix	trans	-92.7	-42.7	-170.9	-169.4	69.4	0	0	0	113	F262 P263 L264 F267 F300 Y383	F262-L304 HydrophobicContact CD2-CD1 4.42Å; P263-L304 HydrophobicContact CG-CD1 4.2Å; P263-L304 HydrophobicContact CG-CD2 3.9Å; L264-L304 HydrophobicContact CB-CD1 3.78Å; F267-L304 HydrophobicContact CE2-CD2 3.91Å; F267-L304 HydrophobicContact CZ-CD2 4.09Å; F300-L304 HydrophobicContact CD2-CB 4.45Å; F300-L304 HydrophobicContact CD2-CD2 4.19Å; F300-L304 HydrophobicContact CE2-CB 4.35Å; F300-L304 HydrophobicContact CE2-CD2 3.34Å; F300-L304 HydrophobicContact CE2-CG 4.48Å; F300-L304 HydrophobicContact CZ-CD2 3.6Å; F300-L304 WeakPolarHBondContact O-CB 3.38Å; F300-L304 PolarHBondContact O-N 2.88Å; L304-Y383 HydrophobicContact CD1-CD2 4.25Å; L304-Y383 HydrophobicContact CD1-CE2 4.11Å
305	L	87.2	Confident	78.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-103.6	-14.3	-172	-60	178.9	0	0	0	112.8	L243 L272 M275 V279 F300 T301 Y307 A308 C309	L243-L305 HydrophobicContact CD1-CD1 4.12Å; L243-L305 HydrophobicContact CD2-CD1 4.31Å; L272-L305 HydrophobicContact CD1-CD2 3.6Å; M275-L305 HydrophobicContact CB-CD1 4.04Å; M275-L305 HydrophobicContact CB-CD2 4.36Å; M275-L305 HydrophobicContact SD-CD1 4.35Å; M275-L305 HydrophobicContact SD-CD2 4.25Å; V279-L305 HydrophobicContact CG2-CB 4.42Å; V279-L305 HydrophobicContact CG2-CD1 3.79Å; F300-L305 HydrophobicContact CE1-CD1 4.03Å; T301-L305 HydrophobicContact CG2-CB 4.49Å; T301-L305 CarbonylContact O-C 2.93Å; T301-L305 VanDerWaalsContact O-C 3.3Å; T301-L305 WeakPolarHBondContact O-CA 3.5Å; T301-L305 WeakPolarHBondContact O-CB 3.36Å; T301-L305 PolarHBondContact O-N 3.4Å; L305-Y307 VanDerWaalsContact C-N 3.27Å; L305-Y307 PolarHBondContact O-N 3.21Å; L305-A308 PolarHBondContact O-N 3.27Å; L305-C309 WeakPolarHBondContact O-CA 3.47Å; L305-C309 VanDerWaalsContact O-CB 3.22Å; L305-C309 WeakPolarHBondContact O-CB 3.43Å; L305-C309 PolarHBondContact O-N 2.99Å; L305-C309 PolarHBondContact O-SG 2.84Å
306	G	80.6	Confident	79.6	Confident	25 Å²	25	40.3 Å²	40.3	26%	0.258	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-39.2	-170.7	0	0	0	0	0	112.7	T301 N302 G310	T301-G306 PolarHBondContact O-N 3.31Å; N302-G306 PolarHBondContact O-N 2.88Å; G306-G310 WeakPolarHBondContact O-CA 3.5Å; G306-G310 PolarHBondContact O-N 3.3Å
307	Y	82.5	Confident	80.9	Confident	24 Å²	24	38.8 Å²	38.8	9%	0.094	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-51.9	176.1	-174.6	-120.3	0	0	0	112.7	L305 C309 G310 E312 F316 M375 Q378 Q382	L305-Y307 VanDerWaalsContact C-N 3.27Å; L305-Y307 PolarHBondContact O-N 3.21Å; Y307-C309 VanDerWaalsContact C-N 3.29Å; Y307-C309 PolarHBondContact O-N 3.45Å; Y307-G310 PolarHBondContact O-N 2.86Å; Y307-E312 HydrophobicContact CD2-CB 4.49Å; Y307-E312 HydrophobicContact CE2-CB 3.96Å; Y307-E312 HydrophobicContact CE2-CG 3.99Å; Y307-F316 AromaticContact CD1-CD2 3.79Å; Y307-F316 HydrophobicContact CD1-CD2 3.79Å; Y307-F316 HydrophobicContact CD1-CE2 4.11Å; Y307-F316 AromaticContact CE1-CD2 3.76Å; Y307-F316 HydrophobicContact CE1-CD2 3.76Å; Y307-F316 HydrophobicContact CE1-CE2 4.33Å; Y307-M375 HydrophobicContact CE1-CE 3.79Å; Y307-M375 WeakPolarHBondContact OH-CE 3.4Å; Y307-M375 PolarHBondContact OH-SD 3.3Å; Y307-Q378 HydrophobicContact CD2-CG 4.46Å; Y307-Q378 HydrophobicContact CE1-CB 4.29Å; Y307-Q378 HydrophobicContact CE1-CG 4.27Å; Y307-Q378 HydrophobicContact CE2-CG 3.66Å; Y307-Q378 WeakPolarHBondContact OH-CG 3.16Å; Y307-Q382 HydrophobicContact CD2-CG 3.68Å; Y307-Q382 HydrophobicContact CE2-CG 4.36Å; Y307-Q382 HydrophobicContact CG-CB 4.16Å; Y307-Q382 HydrophobicContact CG-CG 3.77Å
308	A	87.2	Confident	82	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-33.4	-176.6	0	0	0	0	0	113.1	L264 L305 Q313 F316	L264-A308 HydrophobicContact CD1-CB 4.11Å; L305-A308 PolarHBondContact O-N 3.27Å; A308-Q313 WeakPolarHBondContact O-CA 3.38Å; A308-Q313 WeakPolarHBondContact O-CB 3.42Å; A308-Q313 VanDerWaalsContact O-CG 3.31Å; A308-Q313 WeakPolarHBondContact O-CG 3.42Å; A308-F316 HydrophobicContact CB-CD1 3.78Å; A308-F316 HydrophobicContact CB-CD2 4.34Å; A308-F316 HydrophobicContact CB-CE1 3.57Å; A308-F316 HydrophobicContact CB-CE2 4.14Å; A308-F316 HydrophobicContact CB-CG 4.17Å; A308-F316 HydrophobicContact CB-CZ 3.76Å
309	C	89	Confident	83	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.027	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	18.7	-179.4	-47.3	0	0	0	0	112.5	C276 V279 L305 Y307	C276-C309 WeakPolarHBondContact CA-SG 3.36Å; C276-C309 HydrophobicContact CB-CB 3.53Å; C276-C309 WeakPolarHBondContact CB-SG 3.13Å; C276-C309 WeakPolarHBondContact SG-CA 3.27Å; C276-C309 WeakPolarHBondContact SG-CB 2.94Å; C276-C309 CovalentContact SG-SG 2.03Å; C276-C309 PolarHBondContact SG-SG 3.5Å; V279-C309 HydrophobicContact CG1-CB 4.44Å; L305-C309 WeakPolarHBondContact O-CA 3.47Å; L305-C309 VanDerWaalsContact O-CB 3.22Å; L305-C309 WeakPolarHBondContact O-CB 3.43Å; L305-C309 PolarHBondContact O-N 2.99Å; L305-C309 PolarHBondContact O-SG 2.84Å; Y307-C309 VanDerWaalsContact C-N 3.29Å; Y307-C309 PolarHBondContact O-N 3.45Å
310	G	83.6	Confident	84.2	Confident	21 Å²	21	44.5 Å²	44.5	22%	0.216	23%	0.227	C	C	.	.	S	Bend	trans	-95.7	-157.8	179.8	0	0	0	0	0	113	G306 Y307 E312 Q313	G306-G310 WeakPolarHBondContact O-CA 3.5Å; G306-G310 PolarHBondContact O-N 3.3Å; Y307-G310 PolarHBondContact O-N 2.86Å; G310-E312 PolarHBondContact O-N 3.2Å; G310-Q313 VanDerWaalsContact O-CB 3.27Å; G310-Q313 WeakPolarHBondContact O-CB 3.4Å; G310-Q313 PolarHBondContact O-N 3.02Å
311	H	80.4	Confident	85.1	Confident	170 Å²	170	48.5 Å²	48.5	79%	0.787	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-30	176.4	-72.4	-80.4	0	0	0	112.9	Q313	H311-Q313 PolarHBondContact O-N 3.49Å
312	E	79.5	Confident	85.9	Confident	67 Å²	67	49.4 Å²	49.4	31%	0.313	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	10	179.2	-64.9	-61.1	157.9	0	0	113.7	Y307 G310 Q314 T315 F316	Y307-E312 HydrophobicContact CD2-CB 4.49Å; Y307-E312 HydrophobicContact CE2-CB 3.96Å; Y307-E312 HydrophobicContact CE2-CG 3.99Å; G310-E312 PolarHBondContact O-N 3.2Å; E312-Q314 VanDerWaalsContact C-N 3.33Å; E312-Q314 PolarHBondContact O-N 2.04Å; E312-T315 PolarHBondContact O-N 3.23Å; E312-T315 PolarHBondContact OE2-OG1 3.14Å; E312-F316 VanDerWaalsContact O-CB 3.31Å; E312-F316 WeakPolarHBondContact O-CB 3.23Å; E312-F316 PolarHBondContact O-N 3.19Å
313	Q	85	Confident	86.9	Confident	41 Å²	41	46.1 Å²	46.1	19%	0.192	24%	0.235	C	C	.	.	H	α-helix	trans	-53.3	-47.1	-173.9	176.4	171.1	-5.4	0	0	112.7	A308 G310 H311 F316 F317	A308-Q313 WeakPolarHBondContact O-CA 3.38Å; A308-Q313 WeakPolarHBondContact O-CB 3.42Å; A308-Q313 VanDerWaalsContact O-CG 3.31Å; A308-Q313 WeakPolarHBondContact O-CG 3.42Å; G310-Q313 VanDerWaalsContact O-CB 3.27Å; G310-Q313 WeakPolarHBondContact O-CB 3.4Å; G310-Q313 PolarHBondContact O-N 3.02Å; H311-Q313 PolarHBondContact O-N 3.49Å; Q313-F316 WeakPolarHBondContact O-CB 3.46Å; Q313-F316 PolarHBondContact O-N 3.5Å; Q313-F317 HydrophobicContact CG-CD2 3.58Å; Q313-F317 HydrophobicContact CG-CE2 3.61Å; Q313-F317 VanDerWaalsContact O-CD2 3.26Å; Q313-F317 WeakPolarHBondContact O-CD2 3.48Å; Q313-F317 PolarHBondContact O-N 2.88Å
314	Q	85.8	Confident	87.9	Confident	174 Å²	174	47.5 Å²	47.5	81%	0.813	24%	0.236	S	C	*	.	H	α-helix	trans	-64	-45.2	-178.6	-65.6	-177.3	5.4	0	0	111.8	E312 F316 K318	E312-Q314 VanDerWaalsContact C-N 3.33Å; E312-Q314 PolarHBondContact O-N 2.04Å; Q314-F316 VanDerWaalsContact C-N 3.3Å; Q314-F316 PolarHBondContact O-N 3.27Å; Q314-K318 PolarHBondContact O-N 3.17Å
315	T	86.2	Confident	88.5	Confident	60 Å²	60	51 Å²	51	37%	0.368	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-39.7	175.5	-45	0	0	0	0	111.2	E312 K318 H319 M375	E312-T315 PolarHBondContact O-N 3.23Å; E312-T315 PolarHBondContact OE2-OG1 3.14Å; T315-K318 WeakPolarHBondContact O-CB 3.42Å; T315-K318 PolarHBondContact O-N 3.05Å; T315-H319 PolarHBondContact O-CD2 3.11Å; T315-M375 HydrophobicContact CG2-CE 4.1Å; T315-M375 HydrophobicContact CG2-SD 3.89Å
316	F	90.1	Very high	88.8	Confident	2 Å²	2	51 Å²	51	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-53.9	178.3	-179	-88.1	0	0	0	111.6	L264 Y265 L272 Y307 A308 E312 Q313 Q314 K318 H319 Y320 M375	L264-F316 HydrophobicContact CD1-CZ 4.32Å; L264-F316 HydrophobicContact CD2-CE2 4.09Å; L264-F316 HydrophobicContact CD2-CZ 3.87Å; L264-F316 HydrophobicContact CG-CZ 4.09Å; Y265-F316 HydrophobicContact CE1-CE2 4.38Å; Y265-F316 HydrophobicContact CE1-CZ 4.11Å; L272-F316 HydrophobicContact CD2-CE1 3.79Å; L272-F316 HydrophobicContact CD2-CZ 4.48Å; Y307-F316 AromaticContact CD1-CD2 3.79Å; Y307-F316 HydrophobicContact CD1-CD2 3.79Å; Y307-F316 HydrophobicContact CD1-CE2 4.11Å; Y307-F316 AromaticContact CE1-CD2 3.76Å; Y307-F316 HydrophobicContact CE1-CD2 3.76Å; Y307-F316 HydrophobicContact CE1-CE2 4.33Å; A308-F316 HydrophobicContact CB-CD1 3.78Å; A308-F316 HydrophobicContact CB-CD2 4.34Å; A308-F316 HydrophobicContact CB-CE1 3.57Å; A308-F316 HydrophobicContact CB-CE2 4.14Å; A308-F316 HydrophobicContact CB-CG 4.17Å; A308-F316 HydrophobicContact CB-CZ 3.76Å; E312-F316 VanDerWaalsContact O-CB 3.31Å; E312-F316 WeakPolarHBondContact O-CB 3.23Å; E312-F316 PolarHBondContact O-N 3.19Å; Q313-F316 WeakPolarHBondContact O-CB 3.46Å; Q313-F316 PolarHBondContact O-N 3.5Å; Q314-F316 VanDerWaalsContact C-N 3.3Å; Q314-F316 PolarHBondContact O-N 3.27Å; F316-K318 PolarHBondContact O-N 3.35Å; F316-H319 PolarHBondContact O-N 3.13Å; F316-H319 VanDerWaalsContact O-N 3.08Å; F316-Y320 HydrophobicContact CD1-CD2 4.36Å; F316-Y320 AromaticContact CE1-CD2 3.37Å; F316-Y320 HydrophobicContact CE1-CD2 3.37Å; F316-Y320 HydrophobicContact CE1-CE2 4.05Å; F316-Y320 HydrophobicContact CE1-CG 4.06Å; F316-Y320 AromaticContact CZ-CD2 3.64Å; F316-Y320 HydrophobicContact CZ-CD2 3.64Å; F316-Y320 HydrophobicContact CZ-CE2 4.19Å; F316-Y320 WeakPolarHBondContact O-CB 3.43Å; F316-Y320 PolarHBondContact O-N 2.95Å; F316-M375 HydrophobicContact CB-CE 3.74Å; F316-M375 HydrophobicContact CD2-CE 4.13Å; F316-M375 HydrophobicContact CG-CE 4.42Å
317	F	92.3	Very high	89.4	Confident	40 Å²	40	49.9 Å²	49.9	18%	0.175	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-28.9	-178.8	-81.7	-73.1	0	0	0	113.1	L272 E273 Q313 H319 Y320	L272-F317 HydrophobicContact CB-CE1 4.34Å; L272-F317 HydrophobicContact CB-CZ 4.34Å; L272-F317 HydrophobicContact CD2-CE1 3.98Å; L272-F317 HydrophobicContact CD2-CZ 4.05Å; L272-F317 HydrophobicContact CG-CE1 4.09Å; L272-F317 HydrophobicContact CG-CZ 3.82Å; E273-F317 HydrophobicContact CB-CZ 4.39Å; E273-F317 HydrophobicContact CG-CD1 4.25Å; E273-F317 HydrophobicContact CG-CE1 3.56Å; E273-F317 HydrophobicContact CG-CE2 4.21Å; E273-F317 HydrophobicContact CG-CZ 3.54Å; Q313-F317 HydrophobicContact CG-CD2 3.58Å; Q313-F317 HydrophobicContact CG-CE2 3.61Å; Q313-F317 VanDerWaalsContact O-CD2 3.26Å; Q313-F317 WeakPolarHBondContact O-CD2 3.48Å; Q313-F317 PolarHBondContact O-N 2.88Å; F317-H319 VanDerWaalsContact C-N 3.25Å; F317-H319 PolarHBondContact O-N 3.26Å; F317-Y320 PolarHBondContact O-N 2.96Å
318	K	91.6	Very high	89.8	Confident	169 Å²	169	52.3 Å²	52.3	74%	0.735	25%	0.253	S	S	*	.	H	α-helix	trans	-59.2	-33.6	173.2	-173.6	178.7	179.9	179	0	113.3	Q314 T315 F316	Q314-K318 PolarHBondContact O-N 3.17Å; T315-K318 WeakPolarHBondContact O-CB 3.42Å; T315-K318 PolarHBondContact O-N 3.05Å; F316-K318 PolarHBondContact O-N 3.35Å
319	H	92.7	Very high	90.1	Very high	19 Å²	19	56.4 Å²	56.4	9%	0.088	27%	0.274	C	S	.	.	H	α-helix	trans	-106.1	-13.5	-178	-65.9	-59.1	0	0	0	113.8	T315 F316 F317 Q321 C322 I323 S369 A372	T315-H319 PolarHBondContact O-CD2 3.11Å; F316-H319 PolarHBondContact O-N 3.13Å; F316-H319 VanDerWaalsContact O-N 3.08Å; F317-H319 VanDerWaalsContact C-N 3.25Å; F317-H319 PolarHBondContact O-N 3.26Å; H319-Q321 PolarHBondContact O-N 3.5Å; H319-C322 PolarHBondContact O-N 3.45Å; H319-I323 HydrophobicContact CB-CD1 4.23Å; H319-I323 WeakPolarHBondContact O-CD1 3.49Å; H319-I323 WeakPolarHBondContact O-CG1 3.14Å; H319-I323 PolarHBondContact O-N 3.27Å; H319-S369 PolarHBondContact CE1-OG 2.84Å; H319-S369 VanDerWaalsContact CE1-OG 3.26Å; H319-S369 PolarHBondContact ND1-OG 3.45Å; H319-A372 HydrophobicContact CB-CB 3.85Å
320	Y	93.5	Very high	90.2	Very high	4 Å²	4	58 Å²	58	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-53.1	-51.5	-174.7	178.3	-105	0	0	0	113.4	L264 Y265 F267 L272 F316 F317 C322 I323 R324	L264-Y320 PolarHBondContact O-OH 3.12Å; L264-Y320 VanDerWaalsContact O-OH 3.07Å; Y265-Y320 AromaticContact CD1-CD2 3.72Å; Y265-Y320 HydrophobicContact CD1-CD2 3.72Å; Y265-Y320 AromaticContact CD1-CE2 3.67Å; Y265-Y320 HydrophobicContact CD1-CE2 3.67Å; Y265-Y320 AromaticContact CE1-CD2 3.82Å; Y265-Y320 HydrophobicContact CE1-CD2 3.82Å; Y265-Y320 HydrophobicContact CE1-CE2 4.17Å; Y265-Y320 HydrophobicContact CG-CE2 4.41Å; F267-Y320 PolarHBondContact O-OH 3.25Å; L272-Y320 HydrophobicContact CD2-CD2 4.05Å; L272-Y320 HydrophobicContact CD2-CE1 4.43Å; L272-Y320 HydrophobicContact CD2-CE2 3.53Å; F316-Y320 HydrophobicContact CD1-CD2 4.36Å; F316-Y320 AromaticContact CE1-CD2 3.37Å; F316-Y320 HydrophobicContact CE1-CD2 3.37Å; F316-Y320 HydrophobicContact CE1-CE2 4.05Å; F316-Y320 HydrophobicContact CE1-CG 4.06Å; F316-Y320 AromaticContact CZ-CD2 3.64Å; F316-Y320 HydrophobicContact CZ-CD2 3.64Å; F316-Y320 HydrophobicContact CZ-CE2 4.19Å; F316-Y320 WeakPolarHBondContact O-CB 3.43Å; F316-Y320 PolarHBondContact O-N 2.95Å; F317-Y320 PolarHBondContact O-N 2.96Å; Y320-C322 VanDerWaalsContact C-N 3.35Å; Y320-C322 PolarHBondContact O-N 3.4Å; Y320-I323 PolarHBondContact O-N 3.33Å; Y320-R324 VanDerWaalsContact O-CB 3.29Å; Y320-R324 WeakPolarHBondContact O-CB 3.31Å; Y320-R324 PolarHBondContact O-N 3.45Å
321	Q	93.2	Very high	90.4	Very high	86 Å²	86	60.8 Å²	60.8	40%	0.402	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-41.1	-173.9	-175.6	62	18.9	0	0	112.1	H319 R324 E325	H319-Q321 PolarHBondContact O-N 3.5Å; Q321-R324 PolarHBondContact O-N 2.04Å; Q321-E325 WeakPolarHBondContact CG-OE1 3.45Å; Q321-E325 PolarHBondContact NE2-OE1 3.39Å; Q321-E325 WeakPolarHBondContact O-CG 3.4Å; Q321-E325 PolarHBondContact O-N 3.11Å
322	C	94.8	Very high	91	Very high	37 Å²	37	58.1 Å²	58.1	25%	0.25	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-45.6	178.5	-169	0	0	0	0	111.9	H319 Y320 E325 C326 R367 C368	H319-C322 PolarHBondContact O-N 3.45Å; Y320-C322 VanDerWaalsContact C-N 3.35Å; Y320-C322 PolarHBondContact O-N 3.4Å; C322-E325 PolarHBondContact O-N 3.31Å; C322-C326 PolarHBondContact O-N 3.47Å; C322-C326 VanDerWaalsContact O-N 3.08Å; C322-C326 PolarHBondContact O-SG 2.81Å; C322-R367 PolarHBondContact SG-O 3.07Å; C322-C368 HydrophobicContact CB-CB 4.13Å; C322-C368 WeakPolarHBondContact CB-SG 3.5Å; C322-C368 PolarHBondContact O-SG 2.86Å; C322-C368 WeakPolarHBondContact SG-CA 3.06Å; C322-C368 WeakPolarHBondContact SG-CB 3.25Å; C322-C368 CovalentContact SG-SG 2.04Å; C322-C368 PolarHBondContact SG-SG 3.12Å
323	I	94.5	Very high	91.6	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-45.2	179	-60.5	160.5	0	0	0	109.7	Y265 H319 Y320 C326 I327 L364 A372 F376	Y265-I323 HydrophobicContact CD1-CB 4.02Å; Y265-I323 HydrophobicContact CD1-CG2 3.64Å; Y265-I323 HydrophobicContact CD2-CG2 4.44Å; Y265-I323 HydrophobicContact CE1-CB 3.8Å; Y265-I323 HydrophobicContact CE1-CD1 3.94Å; Y265-I323 HydrophobicContact CE1-CG2 3.48Å; Y265-I323 VanDerWaalsContact CE1-CG2 3.48Å; Y265-I323 HydrophobicContact CE2-CG2 4.32Å; Y265-I323 HydrophobicContact CG-CG2 4.12Å; H319-I323 HydrophobicContact CB-CD1 4.23Å; H319-I323 WeakPolarHBondContact O-CD1 3.49Å; H319-I323 WeakPolarHBondContact O-CG1 3.14Å; H319-I323 PolarHBondContact O-N 3.27Å; Y320-I323 PolarHBondContact O-N 3.33Å; I323-C326 PolarHBondContact O-N 2.92Å; I323-I327 HydrophobicContact CG2-CD1 3.85Å; I323-I327 WeakPolarHBondContact O-CG1 3.48Å; I323-I327 PolarHBondContact O-N 3.41Å; I323-L364 HydrophobicContact CB-CD2 4.32Å; I323-L364 HydrophobicContact CG1-CD2 4.18Å; I323-L364 HydrophobicContact CG2-CD2 4.24Å; I323-A372 HydrophobicContact CD1-CB 4.36Å; I323-A372 WeakPolarHBondContact CD1-O 3.25Å; I323-A372 HydrophobicContact CG1-CB 4.21Å; I323-F376 HydrophobicContact CD1-CB 4.07Å; I323-F376 HydrophobicContact CG1-CB 4.49Å; I323-F376 HydrophobicContact CG2-CB 4.37Å; I323-F376 HydrophobicContact CG2-CD2 3.73Å; I323-F376 HydrophobicContact CG2-CE2 4.19Å; I323-F376 HydrophobicContact CG2-CG 4.1Å
324	R	94.4	Very high	91.7	Very high	50 Å²	50	53.9 Å²	53.9	19%	0.189	27%	0.268	C	S	.	.	H	α-helix	trans	-58.8	-47.2	178.1	170.3	169.1	-171.6	-69.7	-9.7	112.5	Y265 F267 Y320 Q321 C326 I327 H328	Y265-R324 WeakPolarHBondContact O-CD 3.43Å; Y265-R324 VanDerWaalsContact O-CG 3.23Å; Y265-R324 WeakPolarHBondContact O-CG 3.46Å; F267-R324 WeakPolarHBondContact O-CD 3.33Å; F267-R324 PolarHBondContact O-NE 3.34Å; Y320-R324 VanDerWaalsContact O-CB 3.29Å; Y320-R324 WeakPolarHBondContact O-CB 3.31Å; Y320-R324 PolarHBondContact O-N 3.45Å; Q321-R324 PolarHBondContact O-N 2.04Å; R324-C326 VanDerWaalsContact C-N 3.34Å; R324-I327 PolarHBondContact O-N 3.48Å; R324-H328 PolarHBondContact NH2-NE2 3.44Å; R324-H328 PolarHBondContact O-N 2.99Å
325	E	93.6	Very high	91.8	Very high	75 Å²	75	51.4 Å²	51.4	35%	0.35	26%	0.256	S	S	.	.	H	α-helix	trans	-61.4	-43.7	176.7	-74.8	173.8	-169.9	0	0	111.3	Q321 C322 I327 H328 D329	Q321-E325 WeakPolarHBondContact CG-OE1 3.45Å; Q321-E325 PolarHBondContact NE2-OE1 3.39Å; Q321-E325 WeakPolarHBondContact O-CG 3.4Å; Q321-E325 PolarHBondContact O-N 3.11Å; C322-E325 PolarHBondContact O-N 3.31Å; E325-I327 VanDerWaalsContact C-N 3.26Å; E325-I327 PolarHBondContact O-N 3.2Å; E325-H328 PolarHBondContact O-N 3.21Å; E325-D329 WeakPolarHBondContact O-CB 3.48Å; E325-D329 VanDerWaalsContact O-CG 3.22Å; E325-D329 PolarHBondContact O-N 3.41Å
326	C	94	Very high	91.9	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-36.7	176	-68.5	0	0	0	0	112.7	C322 I323 R324 Q330 L364 C368	C322-C326 PolarHBondContact O-N 3.47Å; C322-C326 VanDerWaalsContact O-N 3.08Å; C322-C326 PolarHBondContact O-SG 2.81Å; I323-C326 PolarHBondContact O-N 2.92Å; R324-C326 VanDerWaalsContact C-N 3.34Å; C326-Q330 WeakPolarHBondContact O-CG 3.43Å; C326-Q330 PolarHBondContact O-N 3.39Å; C326-L364 HydrophobicContact CB-CD2 3.78Å; C326-L364 HydrophobicContact CB-CG 4.46Å; C326-C368 VanDerWaalsContact SG-SG 3.64Å
327	I	93.5	Very high	91.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-69.8	-47.7	177	-69.2	168.2	0	0	0	111	Y265 I323 R324 E325 D329 Q330 T334 F356 L360 F376	Y265-I327 VanDerWaalsContact CB-CD1 3.43Å; Y265-I327 HydrophobicContact CD1-CD1 4.41Å; Y265-I327 HydrophobicContact CD2-CD1 3.87Å; Y265-I327 HydrophobicContact CG-CD1 3.65Å; I323-I327 HydrophobicContact CG2-CD1 3.85Å; I323-I327 WeakPolarHBondContact O-CG1 3.48Å; I323-I327 PolarHBondContact O-N 3.41Å; R324-I327 PolarHBondContact O-N 3.48Å; E325-I327 VanDerWaalsContact C-N 3.26Å; E325-I327 PolarHBondContact O-N 3.2Å; I327-D329 VanDerWaalsContact C-N 3.3Å; I327-D329 PolarHBondContact O-N 2.84Å; I327-Q330 CarbonylContact O-C 3.59Å; I327-Q330 PolarHBondContact O-N 2.68Å; I327-Q330 VanDerWaalsContact O-N 3.11Å; I327-T334 HydrophobicContact CG2-CG2 3.72Å; I327-F356 HydrophobicContact CD1-CZ 4.19Å; I327-F356 HydrophobicContact CG1-CZ 4.39Å; I327-L360 HydrophobicContact CD1-CD1 4.22Å; I327-L360 HydrophobicContact CG1-CD1 3.59Å; I327-L360 HydrophobicContact CG1-CD2 3.97Å; I327-L360 HydrophobicContact CG1-CG 4.44Å; I327-F376 HydrophobicContact CD1-CE2 4.15Å; I327-F376 HydrophobicContact CD1-CZ 4.48Å
328	H	90.8	Very high	91.2	Very high	75 Å²	75	53.7 Å²	53.7	35%	0.347	26%	0.263	S	S	.	.	H	α-helix	trans	-62.9	-36.4	179.6	-91.2	-65.4	0	0	0	112.8	R324 E325 Q330	R324-H328 PolarHBondContact NH2-NE2 3.44Å; R324-H328 PolarHBondContact O-N 2.99Å; E325-H328 PolarHBondContact O-N 3.21Å; H328-Q330 PolarHBondContact O-N 3.2Å
329	D	92.8	Very high	90.2	Very high	85 Å²	85	46.5 Å²	46.5	46%	0.455	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.3	178.4	-69.4	-14.9	0	0	0	112.7	E325 I327 P331 R367	E325-D329 WeakPolarHBondContact O-CB 3.48Å; E325-D329 VanDerWaalsContact O-CG 3.22Å; E325-D329 PolarHBondContact O-N 3.41Å; I327-D329 VanDerWaalsContact C-N 3.3Å; I327-D329 PolarHBondContact O-N 2.84Å; D329-P331 VanDerWaalsContact C-CD 3.43Å; D329-P331 WeakPolarHBondContact O-CD 3.37Å; D329-R367 IonicContact OD2-CZ 3.18Å; D329-R367 IonicContact OD2-NH1 2.72Å; D329-R367 PolarHBondContact OD2-NH1 2.79Å; D329-R367 IonicContact OD2-NH2 3.76Å
330	Q	91.9	Very high	88.8	Confident	37 Å²	37	48 Å²	48	17%	0.173	25%	0.252	C	S	.	.			trans	-122.9	67.7	-177.8	-58.9	-53.1	-46.5	0	0	112.3	C326 I327 H328 I332 C333 L360 Y363	C326-Q330 WeakPolarHBondContact O-CG 3.43Å; C326-Q330 PolarHBondContact O-N 3.39Å; I327-Q330 CarbonylContact O-C 3.59Å; I327-Q330 PolarHBondContact O-N 2.68Å; I327-Q330 VanDerWaalsContact O-N 3.11Å; H328-Q330 PolarHBondContact O-N 3.2Å; Q330-I332 PolarHBondContact O-N 3Å; Q330-I332 VanDerWaalsContact O-N 3.11Å; Q330-C333 HydrophobicContact CB-CB 4.36Å; Q330-C333 WeakPolarHBondContact O-CB 3.05Å; Q330-C333 PolarHBondContact O-N 3.11Å; Q330-L360 HydrophobicContact CB-CD2 4.12Å; Q330-Y363 HydrophobicContact CG-CD1 3.72Å; Q330-Y363 HydrophobicContact CG-CD2 3.82Å; Q330-Y363 HydrophobicContact CG-CE1 3.77Å; Q330-Y363 HydrophobicContact CG-CE2 3.89Å; Q330-Y363 HydrophobicContact CG-CG 3.73Å; Q330-Y363 VanDerWaalsContact NE2-CE1 3.25Å; Q330-Y363 VanDerWaalsContact OE1-CE1 3.27Å; Q330-Y363 PolarHBondContact OE1-OH 3.42Å
331	P	88.8	Confident	87.4	Confident	81 Å²	81	48.9 Å²	48.9	53%	0.526	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-22.9	179.8	26.3	-35.6	0	0	0	113.2	D329 C333 T334	D329-P331 VanDerWaalsContact C-CD 3.43Å; D329-P331 WeakPolarHBondContact O-CD 3.37Å; P331-C333 PolarHBondContact O-N 3.49Å; P331-T334 PolarHBondContact O-N 2.99Å; P331-T334 PolarHBondContact O-OG1 3.45Å
332	I	91.5	Very high	85.7	Confident	113 Å²	113	49.6 Å²	49.6	58%	0.579	26%	0.259	S	S	*	.	H	α-helix	trans	-62.1	-35.6	174.5	-61	165.6	0	0	0	110.6	Q330	Q330-I332 PolarHBondContact O-N 3Å; Q330-I332 VanDerWaalsContact O-N 3.11Å
333	C	92.4	Very high	83.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-73	-32.8	178.8	-60.4	0	0	0	0	111.9	Q330 P331 E335 H336 F356 C359 L360	Q330-C333 HydrophobicContact CB-CB 4.36Å; Q330-C333 WeakPolarHBondContact O-CB 3.05Å; Q330-C333 PolarHBondContact O-N 3.11Å; P331-C333 PolarHBondContact O-N 3.49Å; C333-E335 PolarHBondContact O-N 3.2Å; C333-H336 WeakPolarHBondContact O-CB 3.37Å; C333-H336 PolarHBondContact O-N 3.07Å; C333-H336 VanDerWaalsContact O-N 3.1Å; C333-F356 HydrophobicContact CB-CD2 4.42Å; C333-F356 VanDerWaalsContact O-CD2 3.27Å; C333-F356 WeakPolarHBondContact O-CD2 3.39Å; C333-C359 WeakPolarHBondContact CA-SG 3.27Å; C333-C359 HydrophobicContact CB-CB 3.71Å; C333-C359 WeakPolarHBondContact CB-SG 3.45Å; C333-C359 WeakPolarHBondContact SG-CB 3.04Å; C333-C359 PolarHBondContact SG-O 3.42Å; C333-C359 CovalentContact SG-SG 2.04Å; C333-C359 PolarHBondContact SG-SG 2.71Å; C333-L360 HydrophobicContact CB-CD2 3.95Å; C333-L360 HydrophobicContact CB-CG 3.84Å
334	T	88.2	Confident	81.4	Confident	19 Å²	19	51.8 Å²	51.8	12%	0.117	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-22.4	-177.6	60.6	0	0	0	0	112.7	I327 P331 H336 I337 H338	I327-T334 HydrophobicContact CG2-CG2 3.72Å; P331-T334 PolarHBondContact O-N 2.99Å; P331-T334 PolarHBondContact O-OG1 3.45Å; T334-H336 PolarHBondContact O-N 3.23Å; T334-H336 VanDerWaalsContact O-N 3.13Å; T334-I337 WeakPolarHBondContact O-CG1 3.32Å; T334-I337 PolarHBondContact O-N 2.72Å; T334-H338 PolarHBondContact O-CD2 2.65Å; T334-H338 VanDerWaalsContact O-CD2 3.25Å; T334-H338 PolarHBondContact O-N 2.94Å
335	E	87.6	Confident	79.3	Confident	123 Å²	123	56.7 Å²	56.7	58%	0.575	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-54.9	-31	171.5	-62.2	-172.9	170.7	0	0	112.7	C333 I337 H338	C333-E335 PolarHBondContact O-N 3.2Å; E335-I337 VanDerWaalsContact C-N 3.26Å; E335-I337 PolarHBondContact O-N 3.03Å; E335-H338 WeakPolarHBondContact O-CB 3.5Å; E335-H338 PolarHBondContact O-N 3.22Å
336	H	88.1	Confident	77.8	Confident	65 Å²	65	54 Å²	54	30%	0.301	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-67.8	-24.8	177.3	-66.9	-48.3	0	0	0	113.3	C333 T334 R352 F356	C333-H336 WeakPolarHBondContact O-CB 3.37Å; C333-H336 PolarHBondContact O-N 3.07Å; C333-H336 VanDerWaalsContact O-N 3.1Å; T334-H336 PolarHBondContact O-N 3.23Å; T334-H336 VanDerWaalsContact O-N 3.13Å; H336-R352 WeakPolarHBondContact O-CB 3.13Å; H336-R352 VanDerWaalsContact O-CD 3.22Å; H336-R352 WeakPolarHBondContact O-CD 3.48Å; H336-F356 HydrophobicContact CB-CB 3.76Å; H336-F356 HydrophobicContact CB-CD2 4.47Å
337	I	86.8	Confident	76.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-106.5	16.1	178.6	57.5	167.7	0	0	0	112.5	I260 G261 F262 T334 E335 G339 M353 F356	I260-I337 HydrophobicContact CG2-CD1 3.97Å; I260-I337 HydrophobicContact CG2-CG1 4.44Å; G261-I337 PolarHBondContact N-O 2.98Å; F262-I337 HydrophobicContact CB-CB 4.4Å; F262-I337 HydrophobicContact CB-CD1 4.28Å; F262-I337 HydrophobicContact CB-CG2 4.36Å; T334-I337 WeakPolarHBondContact O-CG1 3.32Å; T334-I337 PolarHBondContact O-N 2.72Å; E335-I337 VanDerWaalsContact C-N 3.26Å; E335-I337 PolarHBondContact O-N 3.03Å; I337-G339 PolarHBondContact O-N 3.05Å; I337-M353 HydrophobicContact CG2-SD 4.17Å; I337-F356 HydrophobicContact CD1-CD2 4.31Å; I337-F356 HydrophobicContact CD1-CE1 4.16Å; I337-F356 HydrophobicContact CD1-CE2 3.66Å; I337-F356 HydrophobicContact CD1-CZ 3.58Å; I337-F356 HydrophobicContact CG1-CD2 4.16Å; I337-F356 HydrophobicContact CG1-CE2 3.95Å; I337-F356 HydrophobicContact CG1-CZ 4.31Å; I337-F356 HydrophobicContact CG2-CB 3.8Å; I337-F356 HydrophobicContact CG2-CD1 3.63Å; I337-F356 HydrophobicContact CG2-CD2 3.78Å; I337-F356 HydrophobicContact CG2-CE1 4.05Å; I337-F356 HydrophobicContact CG2-CE2 4.2Å; I337-F356 HydrophobicContact CG2-CG 3.46Å; I337-F356 VanDerWaalsContact CG2-CG 3.46Å; I337-F356 HydrophobicContact CG2-CZ 4.32Å
338	H	81.2	Confident	75	Confident	85 Å²	85	66.2 Å²	66.2	39%	0.394	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-62.3	130.6	169.2	-84.1	-153.7	0	0	0	111	Q259 T334 E335 R352	Q259-H338 CarbonylContact O-C 3.51Å; Q259-H338 VanDerWaalsContact O-CA 3.28Å; Q259-H338 WeakPolarHBondContact O-CA 3.5Å; T334-H338 PolarHBondContact O-CD2 2.65Å; T334-H338 VanDerWaalsContact O-CD2 3.25Å; T334-H338 PolarHBondContact O-N 2.94Å; E335-H338 WeakPolarHBondContact O-CB 3.5Å; E335-H338 PolarHBondContact O-N 3.22Å; H338-R352 PolarHBondContact O-NH1 3.49Å
339	G	69.2	Low	74.2	Confident	18 Å²	18	62.8 Å²	62.8	19%	0.186	32%	0.322	C	S	.	.	S	Bend	trans	157.1	152.7	-177.8	0	0	0	0	0	109.9	Q259 I260 G261 I337	Q259-G339 CarbonylContact C-O 3.6Å; Q259-G339 PolarHBondContact O-N 3.2Å; Q259-G339 VanDerWaalsContact O-O 3.12Å; I260-G339 CarbonylContact C-O 3.6Å; I260-G339 WeakPolarHBondContact CA-O 3.39Å; I260-G339 PolarHBondContact N-O 3.36Å; G261-G339 VanDerWaalsContact CA-O 3.31Å; G261-G339 WeakPolarHBondContact CA-O 3.23Å; G261-G339 PolarHBondContact N-O 3.48Å; I337-G339 PolarHBondContact O-N 3.05Å
340	A	63.4	Low	73.5	Confident	50 Å²	50	59.7 Å²	59.7	41%	0.413	31%	0.307	S	S	.	.			trans	-75.9	134.1	171.4	0	0	0	0	0	109.1	N258 E342	N258-A340 WeakPolarHBondContact O-CA 3.42Å; N258-A340 WeakPolarHBondContact O-CB 3.29Å; A340-E342 PolarHBondContact O-N 3.12Å
341	W	64.7	Low	73	Confident	22 Å²	22	68.5 Å²	68.5	8%	0.083	34%	0.339	C	S	.	.			trans	-69.7	113.3	163.3	-171.7	83.9	0	0	0	108.9	F300 P343 Y383	F300-W341 VanDerWaalsContact CA-CZ2 3.46Å; F300-W341 HydrophobicContact CB-CH2 3.24Å; F300-W341 HydrophobicContact CB-CZ2 3.89Å; F300-W341 HydrophobicContact CB-CZ3 3.69Å; F300-W341 AromaticContact CD2-CD2 3.85Å; F300-W341 HydrophobicContact CD2-CD2 3.85Å; F300-W341 AromaticContact CD2-CE2 3.92Å; F300-W341 AromaticContact CD2-CE3 3.51Å; F300-W341 HydrophobicContact CD2-CE3 3.51Å; F300-W341 AromaticContact CD2-CH2 3.48Å; F300-W341 HydrophobicContact CD2-CH2 3.48Å; F300-W341 VanDerWaalsContact CD2-CH2 3.48Å; F300-W341 AromaticContact CD2-CZ2 3.78Å; F300-W341 HydrophobicContact CD2-CZ2 3.78Å; F300-W341 AromaticContact CD2-CZ3 3.29Å; F300-W341 HydrophobicContact CD2-CZ3 3.29Å; F300-W341 HydrophobicContact CE2-CD2 4.33Å; F300-W341 HydrophobicContact CE2-CE3 4.07Å; F300-W341 HydrophobicContact CE2-CZ3 4.23Å; F300-W341 HydrophobicContact CG-CE3 4.5Å; F300-W341 AromaticContact CG-CH2 3.82Å; F300-W341 HydrophobicContact CG-CH2 3.82Å; F300-W341 HydrophobicContact CG-CZ2 4.33Å; F300-W341 AromaticContact CG-CZ3 3.86Å; F300-W341 HydrophobicContact CG-CZ3 3.86Å; W341-P343 HydrophobicContact CE3-CG 4.47Å; W341-P343 HydrophobicContact CH2-CB 3.79Å; W341-P343 HydrophobicContact CH2-CG 3.49Å; W341-P343 VanDerWaalsContact CH2-CG 3.49Å; W341-P343 HydrophobicContact CZ3-CB 4.24Å; W341-P343 HydrophobicContact CZ3-CG 3.43Å; W341-P343 VanDerWaalsContact CZ3-CG 3.43Å; W341-Y383 AromaticContact CD1-CE2 4Å; W341-Y383 AromaticContact CD1-CZ 3.8Å; W341-Y383 AromaticContact NE1-CE2 3.67Å; W341-Y383 AromaticContact NE1-CZ 3.73Å; W341-Y383 PolarHBondContact NE1-OH 2.89Å
342	E	57.2	Low	72.8	Confident	102 Å²	102	70.6 Å²	70.6	48%	0.477	34%	0.336	S	S	.	.			trans	-121.8	135.5	170.5	-78.8	-176.6	-171.9	0	0	110	A340 G344 Y345	A340-E342 PolarHBondContact O-N 3.12Å; E342-G344 PolarHBondContact O-N 3.47Å; E342-Y345 HydrophobicContact CB-CD2 4.19Å; E342-Y345 HydrophobicContact CB-CG 4.31Å; E342-Y345 PolarHBondContact O-N 2.88Å
343	P	51.7	Low	72.6	Confident	49 Å²	49	65.2 Å²	65.2	32%	0.318	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	122	171.8	-18.5	25.3	0	0	0	110.8	P296 W341	P296-P343 HydrophobicContact CB-CB 3.58Å; P296-P343 HydrophobicContact CB-CG 3.57Å; P296-P343 HydrophobicContact CG-CB 4.42Å; W341-P343 HydrophobicContact CE3-CG 4.47Å; W341-P343 HydrophobicContact CH2-CB 3.79Å; W341-P343 HydrophobicContact CH2-CG 3.49Å; W341-P343 VanDerWaalsContact CH2-CG 3.49Å; W341-P343 HydrophobicContact CZ3-CB 4.24Å; W341-P343 HydrophobicContact CZ3-CG 3.43Å; W341-P343 VanDerWaalsContact CZ3-CG 3.43Å
344	G	46.8	Very low	72.4	Confident	35 Å²	35	66.2 Å²	66.2	36%	0.361	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-5	-177.6	0	0	0	0	0	116.4	E342	E342-G344 PolarHBondContact O-N 3.47Å
345	Y	51	Low	72.4	Confident	154 Å²	154	66.7 Å²	66.7	60%	0.604	32%	0.321	S	S	*	.			trans	-114.9	23.7	-172.8	-83.7	-90.2	0	0	0	115.1	E342 R347	E342-Y345 HydrophobicContact CB-CD2 4.19Å; E342-Y345 HydrophobicContact CB-CG 4.31Å; E342-Y345 PolarHBondContact O-N 2.88Å; Y345-R347 PolarHBondContact O-N 3.03Å
346	H	63.2	Low	72.6	Confident	19 Å²	19	60.9 Å²	60.9	9%	0.088	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.5	174.8	56.7	-71.6	0	0	0	114.4	E348 V349 C350 Y383 Q579	H346-E348 VanDerWaalsContact C-N 3.34Å; H346-E348 PolarHBondContact O-N 3.44Å; H346-V349 PolarHBondContact O-N 2.84Å; H346-C350 WeakPolarHBondContact O-CB 3.07Å; H346-C350 PolarHBondContact O-N 2.86Å; H346-C350 PolarHBondContact O-SG 3.49Å; H346-C350 VanDerWaalsContact O-SG 3.36Å; H346-Y383 HydrophobicContact CB-CE1 4.27Å; H346-Q579 PolarHBondContact CD2-NE2 3.03Å; H346-Q579 VanDerWaalsContact CE1-CA 3.48Å; H346-Q579 WeakPolarHBondContact CE1-CA 3.38Å; H346-Q579 VanDerWaalsContact CE1-CG 3.5Å; H346-Q579 WeakPolarHBondContact CE1-CG 3.38Å; H346-Q579 WeakPolarHBondContact NE2-CB 3.33Å; H346-Q579 WeakPolarHBondContact NE2-CG 3.05Å; H346-Q579 PolarHBondContact NE2-NE2 2.89Å; H346-Q579 PolarHBondContact NE2-OE1 3.37Å
347	R	60.8	Low	72.8	Confident	122 Å²	122	57.8 Å²	57.8	46%	0.46	28%	0.279	S	S	.	.	H	α-helix	trans	-58.6	-40.2	-176.6	-70.6	-172.3	-178.3	-177.5	4.5	113.4	Y345 R351 Q579 H580	Y345-R347 PolarHBondContact O-N 3.03Å; R347-R351 PolarHBondContact O-N 2.84Å; R347-Q579 PolarHBondContact NH2-O 3.06Å; R347-Q579 VanDerWaalsContact NH2-O 3.11Å; R347-H580 PolarHBondContact NH2-ND1 2.79Å
348	E	66.4	Low	72.9	Confident	136 Å²	136	62 Å²	62	64%	0.636	30%	0.295	S	S	*	.	H	α-helix	trans	-68.8	-40.6	-178.8	-61.9	-165.7	163.3	0	0	111.6	H346	H346-E348 VanDerWaalsContact C-N 3.34Å; H346-E348 PolarHBondContact O-N 3.44Å
349	V	73.7	Confident	73.5	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-48	177.7	-169.5	0	0	0	0	110.1	F262 H346 R351 R352 M353 Y383	F262-V349 HydrophobicContact CB-CG1 4.13Å; H346-V349 PolarHBondContact O-N 2.84Å; V349-R351 VanDerWaalsContact C-N 3.31Å; V349-R351 PolarHBondContact O-N 3.43Å; V349-R352 PolarHBondContact O-N 3.11Å; V349-R352 VanDerWaalsContact O-N 3.14Å; V349-M353 HydrophobicContact CG1-CE 3.92Å; V349-M353 PolarHBondContact O-N 2.87Å; V349-M353 VanDerWaalsContact O-N 3.17Å; V349-Y383 HydrophobicContact CG1-CE1 4.28Å
350	C	79.2	Confident	74.6	Confident	20 Å²	20	58.6 Å²	58.6	14%	0.135	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-34	-178.2	-71.1	0	0	0	0	113.6	H346 R352 M353 C385	H346-C350 WeakPolarHBondContact O-CB 3.07Å; H346-C350 PolarHBondContact O-N 2.86Å; H346-C350 PolarHBondContact O-SG 3.49Å; H346-C350 VanDerWaalsContact O-SG 3.36Å; C350-R352 PolarHBondContact O-N 3.27Å; C350-M353 WeakPolarHBondContact O-CB 3.3Å; C350-M353 PolarHBondContact O-N 2.03Å; C350-C385 WeakPolarHBondContact CA-SG 3.26Å; C350-C385 HydrophobicContact CB-CB 3.69Å; C350-C385 WeakPolarHBondContact CB-SG 3.3Å; C350-C385 WeakPolarHBondContact SG-CA 3.24Å; C350-C385 WeakPolarHBondContact SG-CB 3.4Å; C350-C385 CovalentContact SG-SG 2.04Å; C350-C385 PolarHBondContact SG-SG 3.49Å
351	R	81.1	Confident	75.9	Confident	223 Å²	223	56.2 Å²	56.2	84%	0.842	26%	0.258	S	S	*	.	H	α-helix	trans	-58.7	-31.3	177.5	-177.4	177.1	176	177.1	-0.2	112.6	R347 V349	R347-R351 PolarHBondContact O-N 2.84Å; V349-R351 VanDerWaalsContact C-N 3.31Å; V349-R351 PolarHBondContact O-N 3.43Å
352	R	85.6	Confident	77	Confident	124 Å²	124	56.5 Å²	56.5	47%	0.468	26%	0.263	S	S	.	.	H	α-helix	trans	-100.8	-8.1	-176.8	-60.9	179.1	-176.4	171.4	3.8	113.2	H336 H338 V349 C350 A355 F356	H336-R352 WeakPolarHBondContact O-CB 3.13Å; H336-R352 VanDerWaalsContact O-CD 3.22Å; H336-R352 WeakPolarHBondContact O-CD 3.48Å; H338-R352 PolarHBondContact O-NH1 3.49Å; V349-R352 PolarHBondContact O-N 3.11Å; V349-R352 VanDerWaalsContact O-N 3.14Å; C350-R352 PolarHBondContact O-N 3.27Å; R352-A355 WeakPolarHBondContact O-CA 3.38Å; R352-A355 WeakPolarHBondContact O-CB 3.37Å; R352-A355 PolarHBondContact O-N 3.38Å; R352-F356 PolarHBondContact O-N 2.9Å
353	M	87.3	Confident	78.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-37.9	-178.2	-162	67.9	78.3	0	0	114.5	F262 I337 V349 C350 A355 F356 F357 I380 Y383 C385	F262-M353 HydrophobicContact CB-CE 4.09Å; F262-M353 HydrophobicContact CD1-CE 4.48Å; F262-M353 HydrophobicContact CD2-CE 4.26Å; F262-M353 HydrophobicContact CG-CE 4.03Å; I337-M353 HydrophobicContact CG2-SD 4.17Å; V349-M353 HydrophobicContact CG1-CE 3.92Å; V349-M353 PolarHBondContact O-N 2.87Å; V349-M353 VanDerWaalsContact O-N 3.17Å; C350-M353 WeakPolarHBondContact O-CB 3.3Å; C350-M353 PolarHBondContact O-N 2.03Å; M353-A355 VanDerWaalsContact C-N 3.29Å; M353-A355 PolarHBondContact O-N 3.41Å; M353-F356 WeakPolarHBondContact O-CB 3.39Å; M353-F356 PolarHBondContact O-N 2.99Å; M353-F356 HydrophobicContact SD-CB 4.46Å; M353-F356 HydrophobicContact SD-CD1 3.64Å; M353-F356 HydrophobicContact SD-CE1 4.39Å; M353-F356 HydrophobicContact SD-CG 4.46Å; M353-F357 WeakPolarHBondContact O-CB 3.43Å; M353-F357 PolarHBondContact O-N 3.31Å; M353-I380 HydrophobicContact CE-CG2 4.5Å; M353-I380 HydrophobicContact CG-CB 4.41Å; M353-I380 HydrophobicContact CG-CD1 4.24Å; M353-I380 HydrophobicContact CG-CG1 4.28Å; M353-I380 HydrophobicContact CG-CG2 3.31Å; M353-I380 HydrophobicContact SD-CD1 4.09Å; M353-I380 HydrophobicContact SD-CG1 3.98Å; M353-I380 HydrophobicContact SD-CG2 4.05Å; M353-Y383 HydrophobicContact CE-CD1 3.98Å; M353-Y383 HydrophobicContact CE-CE1 4.36Å; M353-C385 HydrophobicContact CB-CB 3.85Å; M353-C385 HydrophobicContact CE-CB 4.05Å; M353-C385 VanDerWaalsContact CE-SG 3.57Å; M353-C385 HydrophobicContact CG-CB 3.72Å
354	P	87.2	Confident	80.5	Confident	21 Å²	21	53 Å²	53	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-35.7	172.2	-26.1	35.7	0	0	0	113.3	R358 D386 I387	P354-R358 WeakPolarHBondContact O-CB 3Å; P354-R358 VanDerWaalsContact O-CG 3.23Å; P354-R358 WeakPolarHBondContact O-CG 3.23Å; P354-R358 PolarHBondContact O-N 3.37Å; P354-D386 WeakPolarHBondContact CD-O 3.34Å; P354-D386 WeakPolarHBondContact CG-O 3.31Å; P354-I387 WeakPolarHBondContact CA-O 3.5Å; P354-I387 WeakPolarHBondContact CB-O 3.18Å
355	A	88.4	Confident	82.4	Confident	29 Å²	29	53.1 Å²	53.1	24%	0.24	23%	0.232	C	C	.	.	H	α-helix	trans	-70.4	-42.5	176.5	0	0	0	0	0	111.1	R352 M353 R358 C359	R352-A355 WeakPolarHBondContact O-CA 3.38Å; R352-A355 WeakPolarHBondContact O-CB 3.37Å; R352-A355 PolarHBondContact O-N 3.38Å; M353-A355 VanDerWaalsContact C-N 3.29Å; M353-A355 PolarHBondContact O-N 3.41Å; A355-R358 PolarHBondContact O-N 3.4Å; A355-C359 VanDerWaalsContact O-CB 3.29Å; A355-C359 WeakPolarHBondContact O-CB 3.41Å; A355-C359 PolarHBondContact O-N 3.45Å
356	F	92.5	Very high	84.2	Confident	1 Å²	1	54.3 Å²	54.3	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-56.4	-51.7	173.4	178.4	-121.9	0	0	0	112.3	F262 I327 C333 H336 I337 R352 M353 R358 C359 L360 F376	F262-F356 HydrophobicContact CD1-CE1 4.18Å; I327-F356 HydrophobicContact CD1-CZ 4.19Å; I327-F356 HydrophobicContact CG1-CZ 4.39Å; C333-F356 HydrophobicContact CB-CD2 4.42Å; C333-F356 VanDerWaalsContact O-CD2 3.27Å; C333-F356 WeakPolarHBondContact O-CD2 3.39Å; H336-F356 HydrophobicContact CB-CB 3.76Å; H336-F356 HydrophobicContact CB-CD2 4.47Å; I337-F356 HydrophobicContact CD1-CD2 4.31Å; I337-F356 HydrophobicContact CD1-CE1 4.16Å; I337-F356 HydrophobicContact CD1-CE2 3.66Å; I337-F356 HydrophobicContact CD1-CZ 3.58Å; I337-F356 HydrophobicContact CG1-CD2 4.16Å; I337-F356 HydrophobicContact CG1-CE2 3.95Å; I337-F356 HydrophobicContact CG1-CZ 4.31Å; I337-F356 HydrophobicContact CG2-CB 3.8Å; I337-F356 HydrophobicContact CG2-CD1 3.63Å; I337-F356 HydrophobicContact CG2-CD2 3.78Å; I337-F356 HydrophobicContact CG2-CE1 4.05Å; I337-F356 HydrophobicContact CG2-CE2 4.2Å; I337-F356 HydrophobicContact CG2-CG 3.46Å; I337-F356 VanDerWaalsContact CG2-CG 3.46Å; I337-F356 HydrophobicContact CG2-CZ 4.32Å; R352-F356 PolarHBondContact O-N 2.9Å; M353-F356 WeakPolarHBondContact O-CB 3.39Å; M353-F356 PolarHBondContact O-N 2.99Å; M353-F356 HydrophobicContact SD-CB 4.46Å; M353-F356 HydrophobicContact SD-CD1 3.64Å; M353-F356 HydrophobicContact SD-CE1 4.39Å; M353-F356 HydrophobicContact SD-CG 4.46Å; F356-R358 PolarHBondContact O-N 2.8Å; F356-C359 PolarHBondContact O-N 3.2Å; F356-L360 HydrophobicContact CD1-CD1 4.34Å; F356-L360 HydrophobicContact CD2-CD1 3.84Å; F356-L360 HydrophobicContact CE1-CD1 3.87Å; F356-L360 HydrophobicContact CE2-CD1 3.3Å; F356-L360 HydrophobicContact CE2-CG 4.3Å; F356-L360 HydrophobicContact CG-CD1 4.34Å; F356-L360 HydrophobicContact CZ-CD1 3.31Å; F356-L360 PolarHBondContact O-N 3.19Å; F356-L360 VanDerWaalsContact O-N 3.13Å; F356-F376 HydrophobicContact CD1-CZ 4.07Å; F356-F376 AromaticContact CE1-CE2 3.99Å; F356-F376 HydrophobicContact CE1-CE2 3.99Å; F356-F376 AromaticContact CE1-CZ 3.5Å; F356-F376 HydrophobicContact CE1-CZ 3.5Å; F356-F376 VanDerWaalsContact CE1-CZ 3.5Å; F356-F376 HydrophobicContact CZ-CZ 4.12Å
357	F	91.7	Very high	85.6	Confident	1 Å²	1	60 Å²	60	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-47.4	-179.9	-174	-98.6	0	0	0	111.8	M353 C359 L360 L361 I373 F376 A377 I380 I387 L393 L413	M353-F357 WeakPolarHBondContact O-CB 3.43Å; M353-F357 PolarHBondContact O-N 3.31Å; F357-C359 VanDerWaalsContact C-N 3.32Å; F357-C359 PolarHBondContact O-N 2.91Å; F357-L360 PolarHBondContact O-N 2.79Å; F357-L361 HydrophobicContact CE1-CD1 4.07Å; F357-L361 HydrophobicContact CZ-CD1 3.99Å; F357-L361 WeakPolarHBondContact O-CB 3.27Å; F357-L361 PolarHBondContact O-N 2.83Å; F357-I373 HydrophobicContact CZ-CG2 4.34Å; F357-F376 AromaticContact CD2-CD1 3.58Å; F357-F376 HydrophobicContact CD2-CD1 3.58Å; F357-F376 AromaticContact CD2-CE1 3.5Å; F357-F376 HydrophobicContact CD2-CE1 3.5Å; F357-F376 VanDerWaalsContact CD2-CE1 3.5Å; F357-F376 HydrophobicContact CD2-CZ 4.5Å; F357-F376 AromaticContact CE2-CD1 3.52Å; F357-F376 HydrophobicContact CE2-CD1 3.52Å; F357-F376 AromaticContact CE2-CE1 3.95Å; F357-F376 HydrophobicContact CE2-CE1 3.95Å; F357-F376 HydrophobicContact CE2-CG 4.46Å; F357-A377 HydrophobicContact CE2-CB 3.91Å; F357-A377 HydrophobicContact CZ-CB 4.08Å; F357-I380 HydrophobicContact CB-CD1 4.27Å; F357-I380 HydrophobicContact CD2-CD1 3.63Å; F357-I380 HydrophobicContact CE2-CD1 4.49Å; F357-I380 HydrophobicContact CG-CD1 4.38Å; F357-I387 HydrophobicContact CB-CB 4.49Å; F357-I387 HydrophobicContact CD1-CB 4.09Å; F357-I387 HydrophobicContact CD1-CG2 4.5Å; F357-I387 HydrophobicContact CD2-CG2 4.07Å; F357-I387 HydrophobicContact CE1-CD1 4.21Å; F357-I387 HydrophobicContact CE2-CG2 4.44Å; F357-I387 HydrophobicContact CG-CB 4.11Å; F357-I387 HydrophobicContact CG-CG2 4.1Å; F357-I387 HydrophobicContact CZ-CD1 4.37Å; F357-L393 HydrophobicContact CD1-CD1 4.37Å; F357-L393 HydrophobicContact CE1-CD1 3.82Å; F357-L413 HydrophobicContact CE1-CD2 4.04Å; F357-L413 HydrophobicContact CZ-CD2 3.57Å
358	R	89.2	Confident	87	Confident	87 Å²	87	55 Å²	55	33%	0.328	24%	0.239	S	C	.	.	H	α-helix	trans	-62.4	-37.3	177.1	-72.8	-173.5	-143.7	112.3	-12.6	112.9	P354 A355 F356 P362 D392 L396	P354-R358 WeakPolarHBondContact O-CB 3Å; P354-R358 VanDerWaalsContact O-CG 3.23Å; P354-R358 WeakPolarHBondContact O-CG 3.23Å; P354-R358 PolarHBondContact O-N 3.37Å; A355-R358 PolarHBondContact O-N 3.4Å; F356-R358 PolarHBondContact O-N 2.8Å; R358-P362 WeakPolarHBondContact O-CD 3.21Å; R358-D392 IonicContact CZ-OD2 3.36Å; R358-D392 IonicContact NE-OD2 2.75Å; R358-D392 IonicContact NH2-OD2 2.68Å; R358-D392 PolarHBondContact NH2-OD2 2.91Å; R358-L396 HydrophobicContact CB-CD2 4.49Å
359	C	93	Very high	88	Confident	32 Å²	32	51 Å²	51	22%	0.216	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-42.3	177.9	-173.5	0	0	0	0	111.3	C333 A355 F356 F357 Y363	C333-C359 WeakPolarHBondContact CA-SG 3.27Å; C333-C359 HydrophobicContact CB-CB 3.71Å; C333-C359 WeakPolarHBondContact CB-SG 3.45Å; C333-C359 WeakPolarHBondContact SG-CB 3.04Å; C333-C359 PolarHBondContact SG-O 3.42Å; C333-C359 CovalentContact SG-SG 2.04Å; C333-C359 PolarHBondContact SG-SG 2.71Å; A355-C359 VanDerWaalsContact O-CB 3.29Å; A355-C359 WeakPolarHBondContact O-CB 3.41Å; A355-C359 PolarHBondContact O-N 3.45Å; F356-C359 PolarHBondContact O-N 3.2Å; F357-C359 VanDerWaalsContact C-N 3.32Å; F357-C359 PolarHBondContact O-N 2.91Å; C359-Y363 VanDerWaalsContact O-CD2 3.3Å; C359-Y363 WeakPolarHBondContact O-CD2 3.41Å; C359-Y363 VanDerWaalsContact O-CE2 3.26Å; C359-Y363 WeakPolarHBondContact O-CE2 3.4Å
360	L	93.3	Very high	88.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-81.8	-25.9	-178	-74.4	166	0	0	0	114.5	I327 Q330 C333 F356 F357 P362 Y363 L364 F376	I327-L360 HydrophobicContact CD1-CD1 4.22Å; I327-L360 HydrophobicContact CG1-CD1 3.59Å; I327-L360 HydrophobicContact CG1-CD2 3.97Å; I327-L360 HydrophobicContact CG1-CG 4.44Å; Q330-L360 HydrophobicContact CB-CD2 4.12Å; C333-L360 HydrophobicContact CB-CD2 3.95Å; C333-L360 HydrophobicContact CB-CG 3.84Å; F356-L360 HydrophobicContact CD1-CD1 4.34Å; F356-L360 HydrophobicContact CD2-CD1 3.84Å; F356-L360 HydrophobicContact CE1-CD1 3.87Å; F356-L360 HydrophobicContact CE2-CD1 3.3Å; F356-L360 HydrophobicContact CE2-CG 4.3Å; F356-L360 HydrophobicContact CG-CD1 4.34Å; F356-L360 HydrophobicContact CZ-CD1 3.31Å; F356-L360 PolarHBondContact O-N 3.19Å; F356-L360 VanDerWaalsContact O-N 3.13Å; F357-L360 PolarHBondContact O-N 2.79Å; L360-P362 VanDerWaalsContact C-CD 3.47Å; L360-Y363 WeakPolarHBondContact O-CB 2.86Å; L360-Y363 PolarHBondContact O-N 3.42Å; L360-L364 HydrophobicContact CB-CD1 4.13Å; L360-L364 HydrophobicContact CB-CG 4.49Å; L360-L364 PolarHBondContact O-N 2.9Å; L360-F376 HydrophobicContact CB-CE1 4.35Å; L360-F376 HydrophobicContact CD1-CE1 4.06Å; L360-F376 HydrophobicContact CD1-CZ 3.7Å
361	L	90	Very high	88.6	Confident	1 Å²	1	55 Å²	55	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-52.7	-45.4	-172.3	-171.2	72.6	0	0	0	114.1	F357 Y363 L364 L365 I373 L393 L396	F357-L361 HydrophobicContact CE1-CD1 4.07Å; F357-L361 HydrophobicContact CZ-CD1 3.99Å; F357-L361 WeakPolarHBondContact O-CB 3.27Å; F357-L361 PolarHBondContact O-N 2.83Å; L361-Y363 PolarHBondContact O-N 2.92Å; L361-L364 PolarHBondContact O-N 2.84Å; L361-L365 HydrophobicContact CD1-CD1 4.42Å; L361-L365 HydrophobicContact CD1-CG 4.38Å; L361-L365 HydrophobicContact CD2-CD1 4.21Å; L361-L365 HydrophobicContact CG-CD1 3.84Å; L361-L365 HydrophobicContact CG-CG 4.25Å; L361-L365 WeakPolarHBondContact O-CB 3.43Å; L361-L365 WeakPolarHBondContact O-CG 3.31Å; L361-L365 PolarHBondContact O-N 2.99Å; L361-I373 HydrophobicContact CD1-CG2 3.66Å; L361-L393 HydrophobicContact CD2-CD1 3.32Å; L361-L393 HydrophobicContact CD2-CG 4.32Å; L361-L396 HydrophobicContact CB-CD2 4.28Å; L361-L396 HydrophobicContact CD2-CD2 3.77Å
362	P	87.3	Confident	89	Confident	27 Å²	27	44.4 Å²	44.4	18%	0.175	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-31.9	178.8	-22.6	34	0	0	0	113.3	R358 L360 R366 I400	R358-P362 WeakPolarHBondContact O-CD 3.21Å; L360-P362 VanDerWaalsContact C-CD 3.47Å; P362-R366 VanDerWaalsContact O-CG 3.29Å; P362-R366 WeakPolarHBondContact O-CG 3.39Å; P362-R366 PolarHBondContact O-N 3.17Å; P362-I400 HydrophobicContact CB-CD1 4Å; P362-I400 HydrophobicContact CG-CD1 3.97Å
363	Y	91.6	Very high	89.1	Confident	79 Å²	79	38.6 Å²	38.6	31%	0.31	19%	0.186	S	C	.	.	H	α-helix	trans	-77.7	-42.5	179.6	-57	-85.7	0	0	0	111.1	Q330 C359 L360 L361 R366 R367	Q330-Y363 HydrophobicContact CG-CD1 3.72Å; Q330-Y363 HydrophobicContact CG-CD2 3.82Å; Q330-Y363 HydrophobicContact CG-CE1 3.77Å; Q330-Y363 HydrophobicContact CG-CE2 3.89Å; Q330-Y363 HydrophobicContact CG-CG 3.73Å; Q330-Y363 VanDerWaalsContact NE2-CE1 3.25Å; Q330-Y363 VanDerWaalsContact OE1-CE1 3.27Å; Q330-Y363 PolarHBondContact OE1-OH 3.42Å; C359-Y363 VanDerWaalsContact O-CD2 3.3Å; C359-Y363 WeakPolarHBondContact O-CD2 3.41Å; C359-Y363 VanDerWaalsContact O-CE2 3.26Å; C359-Y363 WeakPolarHBondContact O-CE2 3.4Å; L360-Y363 WeakPolarHBondContact O-CB 2.86Å; L360-Y363 PolarHBondContact O-N 3.42Å; L361-Y363 PolarHBondContact O-N 2.92Å; Y363-R366 PolarHBondContact O-N 3.35Å; Y363-R367 PolarHBondContact O-N 3.44Å; Y363-R367 VanDerWaalsContact O-N 3.12Å
364	L	91.6	Very high	88.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-42.4	175.3	-66.9	170	0	0	0	111.5	I323 C326 L360 L361 R366 R367 C368 I373 F376	I323-L364 HydrophobicContact CB-CD2 4.32Å; I323-L364 HydrophobicContact CG1-CD2 4.18Å; I323-L364 HydrophobicContact CG2-CD2 4.24Å; C326-L364 HydrophobicContact CB-CD2 3.78Å; C326-L364 HydrophobicContact CB-CG 4.46Å; L360-L364 HydrophobicContact CB-CD1 4.13Å; L360-L364 HydrophobicContact CB-CG 4.49Å; L360-L364 PolarHBondContact O-N 2.9Å; L361-L364 PolarHBondContact O-N 2.84Å; L364-R366 VanDerWaalsContact C-N 3.26Å; L364-R366 PolarHBondContact O-N 3.37Å; L364-R367 PolarHBondContact O-N 3.34Å; L364-C368 WeakPolarHBondContact O-CA 2.95Å; L364-C368 WeakPolarHBondContact O-CB 3.21Å; L364-C368 PolarHBondContact O-N 3.31Å; L364-I373 HydrophobicContact CB-CD1 4.47Å; L364-I373 HydrophobicContact CB-CG1 3.92Å; L364-F376 HydrophobicContact CD1-CD1 3.39Å; L364-F376 HydrophobicContact CD1-CE1 3.75Å; L364-F376 HydrophobicContact CD1-CG 4.17Å
365	L	86.9	Confident	88.9	Confident	37 Å²	37	39.4 Å²	39.4	19%	0.194	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-31.4	176.2	-78.1	168	0	0	0	113.3	L361 I373 I400 M402	L361-L365 HydrophobicContact CD1-CD1 4.42Å; L361-L365 HydrophobicContact CD1-CG 4.38Å; L361-L365 HydrophobicContact CD2-CD1 4.21Å; L361-L365 HydrophobicContact CG-CD1 3.84Å; L361-L365 HydrophobicContact CG-CG 4.25Å; L361-L365 WeakPolarHBondContact O-CB 3.43Å; L361-L365 WeakPolarHBondContact O-CG 3.31Å; L361-L365 PolarHBondContact O-N 2.99Å; L365-I373 HydrophobicContact CB-CD1 4.44Å; L365-I373 HydrophobicContact CD2-CD1 3.39Å; L365-I373 HydrophobicContact CG-CD1 3.77Å; L365-I400 HydrophobicContact CD1-CD1 4.34Å; L365-M402 HydrophobicContact CB-SD 4.11Å
366	R	88.5	Confident	89	Confident	179 Å²	179	38 Å²	38	68%	0.675	18%	0.181	S	C	*	.	H	α-helix	trans	-82.5	-30.3	-179.9	-74.7	175.1	-175.7	172.7	2.8	113.6	P362 Y363 L364	P362-R366 VanDerWaalsContact O-CG 3.29Å; P362-R366 WeakPolarHBondContact O-CG 3.39Å; P362-R366 PolarHBondContact O-N 3.17Å; Y363-R366 PolarHBondContact O-N 3.35Å; L364-R366 VanDerWaalsContact C-N 3.26Å; L364-R366 PolarHBondContact O-N 3.37Å
367	R	91.2	Very high	88.7	Confident	138 Å²	138	38 Å²	38	52%	0.521	18%	0.181	S	C	.	.	H	α-helix	trans	-116.7	-28.5	-168.8	-66.9	-173.1	74	179.2	-1.4	114.7	C322 D329 Y363 L364	C322-R367 PolarHBondContact SG-O 3.07Å; D329-R367 IonicContact OD2-CZ 3.18Å; D329-R367 IonicContact OD2-NH1 2.72Å; D329-R367 PolarHBondContact OD2-NH1 2.79Å; D329-R367 IonicContact OD2-NH2 3.76Å; Y363-R367 PolarHBondContact O-N 3.44Å; Y363-R367 VanDerWaalsContact O-N 3.12Å; L364-R367 PolarHBondContact O-N 3.34Å
368	C	91.2	Very high	88.3	Confident	16 Å²	16	38.8 Å²	38.8	11%	0.108	18%	0.184	C	C	.	.	S	Bend	trans	-112.2	161.3	-175.2	-55.3	0	0	0	0	111	C322 C326 L364 A372	C322-C368 HydrophobicContact CB-CB 4.13Å; C322-C368 WeakPolarHBondContact CB-SG 3.5Å; C322-C368 PolarHBondContact O-SG 2.86Å; C322-C368 WeakPolarHBondContact SG-CA 3.06Å; C322-C368 WeakPolarHBondContact SG-CB 3.25Å; C322-C368 CovalentContact SG-SG 2.04Å; C322-C368 PolarHBondContact SG-SG 3.12Å; C326-C368 VanDerWaalsContact SG-SG 3.64Å; L364-C368 WeakPolarHBondContact O-CA 2.95Å; L364-C368 WeakPolarHBondContact O-CB 3.21Å; L364-C368 PolarHBondContact O-N 3.31Å; C368-A372 HydrophobicContact CB-CB 3.63Å
369	S	87.6	Confident	88.1	Confident	52 Å²	52	34.8 Å²	34.8	36%	0.364	17%	0.17	S	C	.	.			trans	-70.8	160.5	176.1	61.6	0	0	0	0	112.1	H319 N371 A372 I373	H319-S369 PolarHBondContact CE1-OG 2.84Å; H319-S369 VanDerWaalsContact CE1-OG 3.26Å; H319-S369 PolarHBondContact ND1-OG 3.45Å; S369-N371 PolarHBondContact O-N 3.07Å; S369-A372 WeakPolarHBondContact O-CB 3.37Å; S369-A372 PolarHBondContact O-N 2.61Å; S369-A372 PolarHBondContact OG-N 3.08Å; S369-I373 PolarHBondContact O-N 3.32Å
370	S	82.6	Confident	87.9	Confident	23 Å²	23	33.3 Å²	33.3	16%	0.161	16%	0.159	C	C	.	.	H	α-helix	trans	-47.2	-44.3	167.2	42	0	0	0	0	112.2	A372 I373 A374 D406	S370-A372 VanDerWaalsContact C-N 3.35Å; S370-A372 PolarHBondContact O-N 3.12Å; S370-I373 WeakPolarHBondContact O-CB 3.18Å; S370-I373 PolarHBondContact O-N 3.11Å; S370-A374 PolarHBondContact O-N 3.06Å; S370-D406 WeakPolarHBondContact CB-OD2 3.25Å; S370-D406 PolarHBondContact OG-OD2 3.28Å
371	N	82.5	Confident	87.3	Confident	85 Å²	85	36 Å²	36	46%	0.455	17%	0.17	S	C	.	.	H	α-helix	trans	-61.8	-37.8	176.1	-67.1	-12	0	0	0	112.9	S369 I373 A374 M375	S369-N371 PolarHBondContact O-N 3.07Å; N371-I373 VanDerWaalsContact C-N 3.29Å; N371-I373 PolarHBondContact O-N 2.89Å; N371-A374 PolarHBondContact O-N 3.25Å; N371-M375 WeakPolarHBondContact O-CB 3.36Å; N371-M375 WeakPolarHBondContact O-CG 3.19Å; N371-M375 PolarHBondContact O-N 2.96Å
372	A	89.3	Confident	86.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-37	176.9	0	0	0	0	0	111.9	H319 I323 C368 S369 S370 M375 F376	H319-A372 HydrophobicContact CB-CB 3.85Å; I323-A372 HydrophobicContact CD1-CB 4.36Å; I323-A372 WeakPolarHBondContact CD1-O 3.25Å; I323-A372 HydrophobicContact CG1-CB 4.21Å; C368-A372 HydrophobicContact CB-CB 3.63Å; S369-A372 WeakPolarHBondContact O-CB 3.37Å; S369-A372 PolarHBondContact O-N 2.61Å; S369-A372 PolarHBondContact OG-N 3.08Å; S370-A372 VanDerWaalsContact C-N 3.35Å; S370-A372 PolarHBondContact O-N 3.12Å; A372-M375 PolarHBondContact O-N 3.24Å; A372-F376 WeakPolarHBondContact O-CB 3.36Å; A372-F376 PolarHBondContact O-N 3.12Å
373	I	88.7	Confident	86.3	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.015	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-44.4	176.8	-59.5	166.8	0	0	0	110.5	F357 L361 L364 L365 S369 S370 N371 M375 F376 A377 L413	F357-I373 HydrophobicContact CZ-CG2 4.34Å; L361-I373 HydrophobicContact CD1-CG2 3.66Å; L364-I373 HydrophobicContact CB-CD1 4.47Å; L364-I373 HydrophobicContact CB-CG1 3.92Å; L365-I373 HydrophobicContact CB-CD1 4.44Å; L365-I373 HydrophobicContact CD2-CD1 3.39Å; L365-I373 HydrophobicContact CG-CD1 3.77Å; S369-I373 PolarHBondContact O-N 3.32Å; S370-I373 WeakPolarHBondContact O-CB 3.18Å; S370-I373 PolarHBondContact O-N 3.11Å; N371-I373 VanDerWaalsContact C-N 3.29Å; N371-I373 PolarHBondContact O-N 2.89Å; I373-M375 VanDerWaalsContact C-N 3.33Å; I373-M375 PolarHBondContact O-N 3.27Å; I373-F376 PolarHBondContact O-N 2.94Å; I373-A377 WeakPolarHBondContact O-CB 3.34Å; I373-A377 PolarHBondContact O-N 3.43Å; I373-L413 HydrophobicContact CG2-CD1 4.23Å; I373-L413 HydrophobicContact CG2-CD2 4.28Å
374	A	82.3	Confident	85.3	Confident	22 Å²	22	37.3 Å²	37.3	18%	0.182	17%	0.172	C	C	.	.	H	α-helix	trans	-58.2	-45.5	174.3	0	0	0	0	0	111.4	S370 N371 F376 A377 Q378 A412	S370-A374 PolarHBondContact O-N 3.06Å; N371-A374 PolarHBondContact O-N 3.25Å; A374-F376 VanDerWaalsContact C-N 3.34Å; A374-F376 PolarHBondContact O-N 3.23Å; A374-A377 PolarHBondContact O-N 3.5Å; A374-Q378 WeakPolarHBondContact O-CB 3.34Å; A374-Q378 PolarHBondContact O-N 2.04Å; A374-A412 HydrophobicContact CB-CB 3.47Å; A374-A412 VanDerWaalsContact CB-CB 3.47Å
375	M	86.7	Confident	84.8	Confident	16 Å²	16	37.5 Å²	37.5	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-39	176.3	-71	-60.3	-69.5	0	0	112.5	Y307 T315 F316 N371 A372 I373 Q378 S379	Y307-M375 HydrophobicContact CE1-CE 3.79Å; Y307-M375 WeakPolarHBondContact OH-CE 3.4Å; Y307-M375 PolarHBondContact OH-SD 3.3Å; T315-M375 HydrophobicContact CG2-CE 4.1Å; T315-M375 HydrophobicContact CG2-SD 3.89Å; F316-M375 HydrophobicContact CB-CE 3.74Å; F316-M375 HydrophobicContact CD2-CE 4.13Å; F316-M375 HydrophobicContact CG-CE 4.42Å; N371-M375 WeakPolarHBondContact O-CB 3.36Å; N371-M375 WeakPolarHBondContact O-CG 3.19Å; N371-M375 PolarHBondContact O-N 2.96Å; A372-M375 PolarHBondContact O-N 3.24Å; I373-M375 VanDerWaalsContact C-N 3.33Å; I373-M375 PolarHBondContact O-N 3.27Å; M375-Q378 PolarHBondContact O-N 3.34Å; M375-S379 WeakPolarHBondContact O-CB 3.48Å; M375-S379 PolarHBondContact O-N 2.99Å
376	F	91.3	Very high	84.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.7	-44.7	176.4	-178.5	-128.8	0	0	0	112.3	F262 Y265 I323 I327 F356 F357 L360 L364 A372 I373 A374 Q378 S379 I380	F262-F376 HydrophobicContact CE1-CE2 4.47Å; Y265-F376 HydrophobicContact CD2-CD2 4.26Å; Y265-F376 HydrophobicContact CD2-CE2 4.03Å; Y265-F376 AromaticContact CE2-CD2 3.51Å; Y265-F376 HydrophobicContact CE2-CD2 3.51Å; Y265-F376 AromaticContact CE2-CE2 3.68Å; Y265-F376 HydrophobicContact CE2-CE2 3.68Å; Y265-F376 AromaticContact CZ-CD2 3.77Å; I323-F376 HydrophobicContact CD1-CB 4.07Å; I323-F376 HydrophobicContact CG1-CB 4.49Å; I323-F376 HydrophobicContact CG2-CB 4.37Å; I323-F376 HydrophobicContact CG2-CD2 3.73Å; I323-F376 HydrophobicContact CG2-CE2 4.19Å; I323-F376 HydrophobicContact CG2-CG 4.1Å; I327-F376 HydrophobicContact CD1-CE2 4.15Å; I327-F376 HydrophobicContact CD1-CZ 4.48Å; F356-F376 HydrophobicContact CD1-CZ 4.07Å; F356-F376 AromaticContact CE1-CE2 3.99Å; F356-F376 HydrophobicContact CE1-CE2 3.99Å; F356-F376 AromaticContact CE1-CZ 3.5Å; F356-F376 HydrophobicContact CE1-CZ 3.5Å; F356-F376 VanDerWaalsContact CE1-CZ 3.5Å; F356-F376 HydrophobicContact CZ-CZ 4.12Å; F357-F376 AromaticContact CD2-CD1 3.58Å; F357-F376 HydrophobicContact CD2-CD1 3.58Å; F357-F376 AromaticContact CD2-CE1 3.5Å; F357-F376 HydrophobicContact CD2-CE1 3.5Å; F357-F376 VanDerWaalsContact CD2-CE1 3.5Å; F357-F376 HydrophobicContact CD2-CZ 4.5Å; F357-F376 AromaticContact CE2-CD1 3.52Å; F357-F376 HydrophobicContact CE2-CD1 3.52Å; F357-F376 AromaticContact CE2-CE1 3.95Å; F357-F376 HydrophobicContact CE2-CE1 3.95Å; F357-F376 HydrophobicContact CE2-CG 4.46Å; L360-F376 HydrophobicContact CB-CE1 4.35Å; L360-F376 HydrophobicContact CD1-CE1 4.06Å; L360-F376 HydrophobicContact CD1-CZ 3.7Å; L364-F376 HydrophobicContact CD1-CD1 3.39Å; L364-F376 HydrophobicContact CD1-CE1 3.75Å; L364-F376 HydrophobicContact CD1-CG 4.17Å; A372-F376 WeakPolarHBondContact O-CB 3.36Å; A372-F376 PolarHBondContact O-N 3.12Å; I373-F376 PolarHBondContact O-N 2.94Å; A374-F376 VanDerWaalsContact C-N 3.34Å; A374-F376 PolarHBondContact O-N 3.23Å; F376-Q378 VanDerWaalsContact C-N 3.27Å; F376-Q378 PolarHBondContact O-N 2.95Å; F376-S379 PolarHBondContact O-N 3.26Å; F376-S379 PolarHBondContact O-OG 3.28Å; F376-I380 HydrophobicContact CD1-CD1 4.31Å; F376-I380 HydrophobicContact CD2-CD1 4.33Å; F376-I380 HydrophobicContact CE1-CD1 3.93Å; F376-I380 HydrophobicContact CE2-CD1 3.95Å; F376-I380 HydrophobicContact CE2-CG1 4.34Å; F376-I380 HydrophobicContact CZ-CD1 3.74Å; F376-I380 WeakPolarHBondContact O-CG1 3.34Å; F376-I380 PolarHBondContact O-N 3.31Å; F376-I380 VanDerWaalsContact O-N 3.14Å
377	A	86.8	Confident	83.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-41	173.9	0	0	0	0	0	111.1	F357 I373 A374 I380 R381 I387 L413	F357-A377 HydrophobicContact CE2-CB 3.91Å; F357-A377 HydrophobicContact CZ-CB 4.08Å; I373-A377 WeakPolarHBondContact O-CB 3.34Å; I373-A377 PolarHBondContact O-N 3.43Å; A374-A377 PolarHBondContact O-N 3.5Å; A377-I380 PolarHBondContact O-N 3.08Å; A377-R381 WeakPolarHBondContact O-CG 3.2Å; A377-R381 PolarHBondContact O-N 2.96Å; A377-R381 VanDerWaalsContact O-N 3.07Å; A377-I387 HydrophobicContact CB-CD1 4.13Å; A377-L413 HydrophobicContact CB-CD2 3.84Å
378	Q	82.6	Confident	82.8	Confident	18 Å²	18	26.3 Å²	26.3	8%	0.084	14%	0.141	C	C	.	.	H	α-helix	trans	-67.8	-42.8	178.5	-169.2	63.2	4.4	0	0	111.9	Y307 A374 M375 F376 I380 R381 Q382	Y307-Q378 HydrophobicContact CD2-CG 4.46Å; Y307-Q378 HydrophobicContact CE1-CB 4.29Å; Y307-Q378 HydrophobicContact CE1-CG 4.27Å; Y307-Q378 HydrophobicContact CE2-CG 3.66Å; Y307-Q378 WeakPolarHBondContact OH-CG 3.16Å; A374-Q378 WeakPolarHBondContact O-CB 3.34Å; A374-Q378 PolarHBondContact O-N 2.04Å; M375-Q378 PolarHBondContact O-N 3.34Å; F376-Q378 VanDerWaalsContact C-N 3.27Å; F376-Q378 PolarHBondContact O-N 2.95Å; Q378-I380 VanDerWaalsContact C-N 3.26Å; Q378-I380 PolarHBondContact O-N 2.63Å; Q378-R381 PolarHBondContact O-N 3.29Å; Q378-R381 VanDerWaalsContact O-N 3.11Å; Q378-Q382 HydrophobicContact CG-CG 4.27Å; Q378-Q382 WeakPolarHBondContact O-CB 3.49Å; Q378-Q382 WeakPolarHBondContact O-CG 3.36Å; Q378-Q382 PolarHBondContact O-N 3.11Å
379	S	86.2	Confident	81.4	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-36.3	177.5	71.9	0	0	0	0	112.2	Y265 M375 F376 Q382 Y383	Y265-S379 WeakPolarHBondContact CE2-OG 3.4Å; Y265-S379 WeakPolarHBondContact OH-CB 3.33Å; Y265-S379 PolarHBondContact OH-OG 2.92Å; M375-S379 WeakPolarHBondContact O-CB 3.48Å; M375-S379 PolarHBondContact O-N 2.99Å; F376-S379 PolarHBondContact O-N 3.26Å; F376-S379 PolarHBondContact O-OG 3.28Å; S379-Q382 PolarHBondContact O-N 3.47Å; S379-Y383 WeakPolarHBondContact O-CB 3.43Å; S379-Y383 PolarHBondContact O-N 3.12Å
380	I	87.6	Confident	79.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-44.2	173	-72.3	170.1	0	0	0	111.9	F262 M353 F357 F376 A377 Q378 Q382 Y383 W384 C385 I387	F262-I380 HydrophobicContact CE1-CG1 4.33Å; F262-I380 HydrophobicContact CZ-CG1 4.37Å; M353-I380 HydrophobicContact CE-CG2 4.5Å; M353-I380 HydrophobicContact CG-CB 4.41Å; M353-I380 HydrophobicContact CG-CD1 4.24Å; M353-I380 HydrophobicContact CG-CG1 4.28Å; M353-I380 HydrophobicContact CG-CG2 3.31Å; M353-I380 HydrophobicContact SD-CD1 4.09Å; M353-I380 HydrophobicContact SD-CG1 3.98Å; M353-I380 HydrophobicContact SD-CG2 4.05Å; F357-I380 HydrophobicContact CB-CD1 4.27Å; F357-I380 HydrophobicContact CD2-CD1 3.63Å; F357-I380 HydrophobicContact CE2-CD1 4.49Å; F357-I380 HydrophobicContact CG-CD1 4.38Å; F376-I380 HydrophobicContact CD1-CD1 4.31Å; F376-I380 HydrophobicContact CD2-CD1 4.33Å; F376-I380 HydrophobicContact CE1-CD1 3.93Å; F376-I380 HydrophobicContact CE2-CD1 3.95Å; F376-I380 HydrophobicContact CE2-CG1 4.34Å; F376-I380 HydrophobicContact CZ-CD1 3.74Å; F376-I380 WeakPolarHBondContact O-CG1 3.34Å; F376-I380 PolarHBondContact O-N 3.31Å; F376-I380 VanDerWaalsContact O-N 3.14Å; A377-I380 PolarHBondContact O-N 3.08Å; Q378-I380 VanDerWaalsContact C-N 3.26Å; Q378-I380 PolarHBondContact O-N 2.63Å; I380-Q382 VanDerWaalsContact C-N 3.34Å; I380-Y383 CarbonylContact O-C 3.3Å; I380-Y383 WeakPolarHBondContact O-CA 3.35Å; I380-Y383 WeakPolarHBondContact O-CB 3.33Å; I380-Y383 PolarHBondContact O-N 3.46Å; I380-W384 PolarHBondContact O-N 2.78Å; I380-C385 HydrophobicContact CG2-CB 3.91Å; I380-C385 PolarHBondContact O-N 2.66Å; I380-C385 VanDerWaalsContact O-N 3.12Å; I380-I387 HydrophobicContact CB-CG2 4.03Å; I380-I387 HydrophobicContact CD1-CG2 4.16Å; I380-I387 HydrophobicContact CG2-CG2 3.61Å
381	R	81	Confident	78	Confident	58 Å²	58	34.2 Å²	34.2	22%	0.219	18%	0.18	C	C	.	.	H	α-helix	trans	-66.5	-36.6	177.6	-71.6	174.2	-177.8	138.9	-5	112.1	A377 Q378 Y383 W384 C385 I387 A412 L413	A377-R381 WeakPolarHBondContact O-CG 3.2Å; A377-R381 PolarHBondContact O-N 2.96Å; A377-R381 VanDerWaalsContact O-N 3.07Å; Q378-R381 PolarHBondContact O-N 3.29Å; Q378-R381 VanDerWaalsContact O-N 3.11Å; R381-Y383 PolarHBondContact O-N 3.06Å; R381-W384 WeakPolarHBondContact O-CA 3.36Å; R381-W384 PolarHBondContact O-N 3.29Å; R381-C385 WeakPolarHBondContact CA-O 3.48Å; R381-I387 VanDerWaalsContact NH2-CD1 3.27Å; R381-A412 PolarHBondContact NH1-O 3.01Å; R381-L413 PolarHBondContact NH2-O 2.99Å; R381-L413 VanDerWaalsContact NH2-O 3.08Å
382	Q	78.2	Confident	76.6	Confident	31 Å²	31	33.4 Å²	33.4	15%	0.145	18%	0.176	C	C	.	.	H	α-helix	trans	-69.4	-24.3	174.1	-68	-62.8	-30.9	0	0	112.6	Y307 Q378 S379 I380 W384	Y307-Q382 HydrophobicContact CD2-CG 3.68Å; Y307-Q382 HydrophobicContact CE2-CG 4.36Å; Y307-Q382 HydrophobicContact CG-CB 4.16Å; Y307-Q382 HydrophobicContact CG-CG 3.77Å; Q378-Q382 HydrophobicContact CG-CG 4.27Å; Q378-Q382 WeakPolarHBondContact O-CB 3.49Å; Q378-Q382 WeakPolarHBondContact O-CG 3.36Å; Q378-Q382 PolarHBondContact O-N 3.11Å; S379-Q382 PolarHBondContact O-N 3.47Å; I380-Q382 VanDerWaalsContact C-N 3.34Å; Q382-W384 PolarHBondContact O-N 3.46Å; Q382-W384 PolarHBondContact O-NE1 3.18Å
383	Y	78.2	Confident	74.9	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.008	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	8.2	166.1	-166.3	-101.4	0	0	0	112.5	G261 F262 A303 L304 W341 H346 V349 M353 S379 I380 R381 C385	G261-Y383 PolarHBondContact O-OH 3.49Å; F262-Y383 AromaticContact CD2-CD1 3.56Å; F262-Y383 HydrophobicContact CD2-CD1 3.56Å; F262-Y383 AromaticContact CD2-CD2 3.72Å; F262-Y383 HydrophobicContact CD2-CD2 3.72Å; F262-Y383 AromaticContact CD2-CE1 3.92Å; F262-Y383 HydrophobicContact CD2-CE1 3.92Å; F262-Y383 HydrophobicContact CD2-CE2 4.05Å; F262-Y383 AromaticContact CD2-CG 3.51Å; F262-Y383 HydrophobicContact CD2-CG 3.51Å; F262-Y383 AromaticContact CE2-CD1 3.96Å; F262-Y383 HydrophobicContact CE2-CD1 3.96Å; F262-Y383 AromaticContact CE2-CD2 3.78Å; F262-Y383 HydrophobicContact CE2-CD2 3.78Å; F262-Y383 AromaticContact CE2-CG 3.49Å; F262-Y383 HydrophobicContact CE2-CG 3.49Å; F262-Y383 VanDerWaalsContact CE2-CG 3.49Å; A303-Y383 HydrophobicContact CB-CD2 4.19Å; A303-Y383 HydrophobicContact CB-CE2 4.22Å; A303-Y383 WeakPolarHBondContact O-CD2 3.48Å; L304-Y383 HydrophobicContact CD1-CD2 4.25Å; L304-Y383 HydrophobicContact CD1-CE2 4.11Å; W341-Y383 AromaticContact CD1-CE2 4Å; W341-Y383 AromaticContact CD1-CZ 3.8Å; W341-Y383 AromaticContact NE1-CE2 3.67Å; W341-Y383 AromaticContact NE1-CZ 3.73Å; W341-Y383 PolarHBondContact NE1-OH 2.89Å; H346-Y383 HydrophobicContact CB-CE1 4.27Å; V349-Y383 HydrophobicContact CG1-CE1 4.28Å; M353-Y383 HydrophobicContact CE-CD1 3.98Å; M353-Y383 HydrophobicContact CE-CE1 4.36Å; S379-Y383 WeakPolarHBondContact O-CB 3.43Å; S379-Y383 PolarHBondContact O-N 3.12Å; I380-Y383 CarbonylContact O-C 3.3Å; I380-Y383 WeakPolarHBondContact O-CA 3.35Å; I380-Y383 WeakPolarHBondContact O-CB 3.33Å; I380-Y383 PolarHBondContact O-N 3.46Å; R381-Y383 PolarHBondContact O-N 3.06Å; Y383-C385 WeakPolarHBondContact CD1-SG 3.38Å; Y383-C385 PolarHBondContact O-N 3.02Å
384	W	71.3	Confident	73.3	Confident	100 Å²	100	35.6 Å²	35.6	38%	0.379	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	22.8	175.7	-54	59.2	0	0	0	114.4	I380 R381 Q382 S577 P578 Q579	I380-W384 PolarHBondContact O-N 2.78Å; R381-W384 WeakPolarHBondContact O-CA 3.36Å; R381-W384 PolarHBondContact O-N 3.29Å; Q382-W384 PolarHBondContact O-N 3.46Å; Q382-W384 PolarHBondContact O-NE1 3.18Å; W384-S577 WeakPolarHBondContact CZ3-OG 3.45Å; W384-P578 HydrophobicContact CD2-CG 4.48Å; W384-P578 HydrophobicContact CH2-CG 3.87Å; W384-P578 HydrophobicContact CZ2-CG 3.65Å; W384-P578 HydrophobicContact CZ3-CG 4.34Å; W384-Q579 HydrophobicContact CE3-CG 4.26Å; W384-Q579 PolarHBondContact O-NE2 3.3Å
385	C	80	Confident	72.2	Confident	5 Å²	5	39 Å²	39	3%	0.034	21%	0.211	C	C	.	.			trans	-102.5	150	173.5	-57.3	0	0	0	0	111	C350 M353 I380 R381 Y383	C350-C385 WeakPolarHBondContact CA-SG 3.26Å; C350-C385 HydrophobicContact CB-CB 3.69Å; C350-C385 WeakPolarHBondContact CB-SG 3.3Å; C350-C385 WeakPolarHBondContact SG-CA 3.24Å; C350-C385 WeakPolarHBondContact SG-CB 3.4Å; C350-C385 CovalentContact SG-SG 2.04Å; C350-C385 PolarHBondContact SG-SG 3.49Å; M353-C385 HydrophobicContact CB-CB 3.85Å; M353-C385 HydrophobicContact CE-CB 4.05Å; M353-C385 VanDerWaalsContact CE-SG 3.57Å; M353-C385 HydrophobicContact CG-CB 3.72Å; I380-C385 HydrophobicContact CG2-CB 3.91Å; I380-C385 PolarHBondContact O-N 2.66Å; I380-C385 VanDerWaalsContact O-N 3.12Å; R381-C385 WeakPolarHBondContact CA-O 3.48Å; Y383-C385 WeakPolarHBondContact CD1-SG 3.38Å; Y383-C385 PolarHBondContact O-N 3.02Å
386	D	77.4	Confident	70.9	Confident	94 Å²	94	40.4 Å²	40.4	50%	0.503	22%	0.219	S	C	.	.			trans	-82.9	144.1	169.5	-173.4	14.4	0	0	0	110	P354 G388	P354-D386 WeakPolarHBondContact CD-O 3.34Å; P354-D386 WeakPolarHBondContact CG-O 3.31Å; D386-G388 VanDerWaalsContact C-N 3.31Å; D386-G388 VanDerWaalsContact CG-N 3.27Å; D386-G388 PolarHBondContact OD1-N 3.11Å
387	I	78.7	Confident	69.4	Low	9 Å²	9	41.9 Å²	41.9	5%	0.046	23%	0.226	C	C	.	.			trans	-87.7	-5.7	170.7	61.2	168.8	0	0	0	112	P354 F357 A377 I380 R381 L413	P354-I387 WeakPolarHBondContact CA-O 3.5Å; P354-I387 WeakPolarHBondContact CB-O 3.18Å; F357-I387 HydrophobicContact CB-CB 4.49Å; F357-I387 HydrophobicContact CD1-CB 4.09Å; F357-I387 HydrophobicContact CD1-CG2 4.5Å; F357-I387 HydrophobicContact CD2-CG2 4.07Å; F357-I387 HydrophobicContact CE1-CD1 4.21Å; F357-I387 HydrophobicContact CE2-CG2 4.44Å; F357-I387 HydrophobicContact CG-CB 4.11Å; F357-I387 HydrophobicContact CG-CG2 4.1Å; F357-I387 HydrophobicContact CZ-CD1 4.37Å; A377-I387 HydrophobicContact CB-CD1 4.13Å; I380-I387 HydrophobicContact CB-CG2 4.03Å; I380-I387 HydrophobicContact CD1-CG2 4.16Å; I380-I387 HydrophobicContact CG2-CG2 3.61Å; R381-I387 VanDerWaalsContact NH2-CD1 3.27Å; I387-L413 HydrophobicContact CD1-CD2 4.08Å
388	G	68.9	Low	68.2	Low	16 Å²	16	50.6 Å²	50.6	17%	0.165	26%	0.264	C	S	.	.			trans	97.7	175.1	-179.2	0	0	0	0	0	112.8	D386	D386-G388 VanDerWaalsContact C-N 3.31Å; D386-G388 VanDerWaalsContact CG-N 3.27Å; D386-G388 PolarHBondContact OD1-N 3.11Å
389	S	61.6	Low	67	Low	68 Å²	68	53.9 Å²	53.9	48%	0.476	29%	0.289	S	S	.	.			trans	-70.3	138.1	-176.4	58.8	0	0	0	0	113	L391 D392	S389-L391 PolarHBondContact O-N 3.39Å; S389-D392 PolarHBondContact O-N 3.12Å; S389-D392 VanDerWaalsContact O-N 3.12Å
390	I	53.2	Low	65.8	Low	53 Å²	53	55.6 Å²	55.6	27%	0.272	30%	0.298	S	S	.	.	H	α-helix	trans	-53.2	-28.7	177.9	-59.6	154	0	0	0	112.9	D392 L393 A394 G414 V416	I390-D392 PolarHBondContact O-N 2.75Å; I390-L393 WeakPolarHBondContact O-CB 3.23Å; I390-L393 PolarHBondContact O-N 2.79Å; I390-L393 VanDerWaalsContact O-N 3.11Å; I390-A394 PolarHBondContact O-N 2.81Å; I390-G414 VanDerWaalsContact CD1-C 3.5Å; I390-V416 HydrophobicContact CG2-CG2 3.51Å
391	L	46.1	Very low	64.1	Low	135 Å²	135	63.1 Å²	63.1	71%	0.707	34%	0.338	S	S	*	.	H	α-helix	trans	-64.6	-38.8	-179.3	-159.1	73.1	0	0	0	112.7	S389 L393 T395	S389-L391 PolarHBondContact O-N 3.39Å; L391-L393 VanDerWaalsContact C-N 3.27Å; L391-L393 PolarHBondContact O-N 2.97Å; L391-T395 PolarHBondContact O-N 3.45Å; L391-T395 PolarHBondContact O-OG1 3.2Å
392	D	52.8	Low	62.6	Low	69 Å²	69	64.8 Å²	64.8	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-37.4	173.5	-67.4	-13.9	0	0	0	110.6	R358 S389 I390 T395 L396	R358-D392 IonicContact CZ-OD2 3.36Å; R358-D392 IonicContact NE-OD2 2.75Å; R358-D392 IonicContact NH2-OD2 2.68Å; R358-D392 PolarHBondContact NH2-OD2 2.91Å; S389-D392 PolarHBondContact O-N 3.12Å; S389-D392 VanDerWaalsContact O-N 3.12Å; I390-D392 PolarHBondContact O-N 2.75Å; D392-T395 PolarHBondContact O-N 3.46Å; D392-L396 WeakPolarHBondContact O-CB 3.5Å; D392-L396 PolarHBondContact O-N 3.27Å
393	L	54.1	Low	61.1	Low	14 Å²	14	70 Å²	70	7%	0.073	38%	0.378	C	S	.	.	H	α-helix	trans	-72.7	-44.3	-175.8	-163.6	69.4	0	0	0	112.1	F357 L361 I390 L391 T395 L396 M397 L413	F357-L393 HydrophobicContact CD1-CD1 4.37Å; F357-L393 HydrophobicContact CE1-CD1 3.82Å; L361-L393 HydrophobicContact CD2-CD1 3.32Å; L361-L393 HydrophobicContact CD2-CG 4.32Å; I390-L393 WeakPolarHBondContact O-CB 3.23Å; I390-L393 PolarHBondContact O-N 2.79Å; I390-L393 VanDerWaalsContact O-N 3.11Å; L391-L393 VanDerWaalsContact C-N 3.27Å; L391-L393 PolarHBondContact O-N 2.97Å; L393-T395 PolarHBondContact O-N 3.28Å; L393-L396 PolarHBondContact O-N 2.94Å; L393-M397 HydrophobicContact CG-SD 4.45Å; L393-M397 WeakPolarHBondContact O-CB 3.5Å; L393-M397 VanDerWaalsContact O-CG 3.26Å; L393-M397 WeakPolarHBondContact O-CG 3.23Å; L393-M397 PolarHBondContact O-N 3.49Å; L393-L413 HydrophobicContact CD2-CB 3.53Å; L393-L413 HydrophobicContact CD2-CD1 3.83Å; L393-L413 HydrophobicContact CD2-CD2 3.96Å; L393-L413 HydrophobicContact CD2-CG 3.94Å
394	A	54.1	Low	59.6	Low	35 Å²	35	72.7 Å²	72.7	29%	0.289	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-34.4	175.5	0	0	0	0	0	111.8	I390 K398	I390-A394 PolarHBondContact O-N 2.81Å; A394-K398 WeakPolarHBondContact O-CG 3.43Å; A394-K398 PolarHBondContact O-N 3.17Å
395	T	58.9	Low	58.4	Low	93 Å²	93	74.5 Å²	74.5	57%	0.571	41%	0.412	S	S	*	.	H	α-helix	trans	-71.9	-40.1	177	-51.4	0	0	0	0	111	L391 D392 L393 K398 S399	L391-T395 PolarHBondContact O-N 3.45Å; L391-T395 PolarHBondContact O-OG1 3.2Å; D392-T395 PolarHBondContact O-N 3.46Å; L393-T395 PolarHBondContact O-N 3.28Å; T395-K398 PolarHBondContact O-N 3.39Å; T395-S399 PolarHBondContact O-N 3.35Å
396	L	60.1	Low	56.8	Low	45 Å²	45	78.1 Å²	78.1	24%	0.236	43%	0.431	C	S	.	.	H	α-helix	trans	-63.3	-44.6	173.1	-161.3	77.7	0	0	0	111.4	R358 L361 D392 L393 K398 S399 I400	R358-L396 HydrophobicContact CB-CD2 4.49Å; L361-L396 HydrophobicContact CB-CD2 4.28Å; L361-L396 HydrophobicContact CD2-CD2 3.77Å; D392-L396 WeakPolarHBondContact O-CB 3.5Å; D392-L396 PolarHBondContact O-N 3.27Å; L393-L396 PolarHBondContact O-N 2.94Å; L396-K398 PolarHBondContact O-N 2.9Å; L396-S399 PolarHBondContact O-N 2.76Å; L396-S399 VanDerWaalsContact O-N 3.11Å; L396-S399 PolarHBondContact O-OG 3.14Å; L396-I400 HydrophobicContact CG-CD1 4.35Å; L396-I400 WeakPolarHBondContact O-CG1 3Å
397	M	60.2	Low	55.2	Low	31 Å²	31	81.7 Å²	81.7	15%	0.153	44%	0.442	C	S	.	.	H	α-helix	trans	-63.1	-39.6	178.4	-70.2	177.2	72.3	0	0	112.3	L393 S399 I400 V404 I410	L393-M397 HydrophobicContact CG-SD 4.45Å; L393-M397 WeakPolarHBondContact O-CB 3.5Å; L393-M397 VanDerWaalsContact O-CG 3.26Å; L393-M397 WeakPolarHBondContact O-CG 3.23Å; L393-M397 PolarHBondContact O-N 3.49Å; M397-S399 VanDerWaalsContact C-N 3.27Å; M397-S399 PolarHBondContact O-N 3.18Å; M397-I400 PolarHBondContact O-N 2.97Å; M397-V404 HydrophobicContact CE-CG2 3.88Å; M397-I410 HydrophobicContact CE-CD1 4.07Å; M397-I410 HydrophobicContact CE-CG1 3.73Å; M397-I410 HydrophobicContact SD-CG1 4.4Å
398	K	60.9	Low	53.4	Low	183 Å²	183	84.6 Å²	84.6	80%	0.796	46%	0.46	S	S	*	.	H	α-helix	trans	-63.7	-30.1	173.4	-79	-177.5	178.5	-175.8	0	113.2	A394 T395 L396 I400	A394-K398 WeakPolarHBondContact O-CG 3.43Å; A394-K398 PolarHBondContact O-N 3.17Å; T395-K398 PolarHBondContact O-N 3.39Å; L396-K398 PolarHBondContact O-N 2.9Å; K398-I400 VanDerWaalsContact C-N 3.3Å; K398-I400 PolarHBondContact O-N 3.43Å
399	S	57.7	Low	52.1	Low	88 Å²	88	84.3 Å²	84.3	62%	0.615	46%	0.456	S	S	*	.	H	α-helix	trans	-76.5	-13.5	-179.1	74.5	0	0	0	0	114.6	T395 L396 M397	T395-S399 PolarHBondContact O-N 3.35Å; L396-S399 PolarHBondContact O-N 2.76Å; L396-S399 VanDerWaalsContact O-N 3.11Å; L396-S399 PolarHBondContact O-OG 3.14Å; M397-S399 VanDerWaalsContact C-N 3.27Å; M397-S399 PolarHBondContact O-N 3.18Å
400	I	61.3	Low	51.2	Low	38 Å²	38	83.8 Å²	83.8	20%	0.195	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	4	-174.7	-56.3	164.6	0	0	0	111.7	P362 L365 L396 M397 K398 M402	P362-I400 HydrophobicContact CB-CD1 4Å; P362-I400 HydrophobicContact CG-CD1 3.97Å; L365-I400 HydrophobicContact CD1-CD1 4.34Å; L396-I400 HydrophobicContact CG-CD1 4.35Å; L396-I400 WeakPolarHBondContact O-CG1 3Å; M397-I400 PolarHBondContact O-N 2.97Å; K398-I400 VanDerWaalsContact C-N 3.3Å; K398-I400 PolarHBondContact O-N 3.43Å; I400-M402 VanDerWaalsContact C-N 3.3Å; I400-M402 HydrophobicContact CG2-CG 4.19Å; I400-M402 HydrophobicContact CG2-SD 4.24Å; I400-M402 PolarHBondContact O-N 2.98Å
401	D	51.5	Low	50.6	Low	159 Å²	159	86.5 Å²	86.5	85%	0.85	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	43.7	174.4	-147.7	16.7	0	0	0	113.9
402	M	50.4	Low	50.4	Low	92 Å²	92	81.8 Å²	81.8	45%	0.453	44%	0.442	S	S	.	.			trans	-105.9	126.4	178.2	-73	-171	70.8	0	0	111.6	L365 I400 V404	L365-M402 HydrophobicContact CB-SD 4.11Å; I400-M402 VanDerWaalsContact C-N 3.3Å; I400-M402 HydrophobicContact CG2-CG 4.19Å; I400-M402 HydrophobicContact CG2-SD 4.24Å; I400-M402 PolarHBondContact O-N 2.98Å; M402-V404 PolarHBondContact O-N 3.27Å
403	N	46.6	Very low	50.1	Low	141 Å²	141	78.9 Å²	78.9	75%	0.754	43%	0.427	S	S	*	.			trans	-73.9	110.1	174.3	-161.2	7.2	0	0	0	109.6	N405	N403-N405 PolarHBondContact O-N 3.03Å
404	V	46.5	Very low	49.2	Very low	59 Å²	59	79 Å²	79	36%	0.358	43%	0.431	S	S	.	.			trans	-88.4	88.1	-173.1	-172.1	0	0	0	0	110.2	M397 M402 I410	M397-V404 HydrophobicContact CE-CG2 3.88Å; M402-V404 PolarHBondContact O-N 3.27Å; V404-I410 HydrophobicContact CB-CD1 4.14Å; V404-I410 HydrophobicContact CG1-CD1 3.59Å; V404-I410 HydrophobicContact CG1-CG1 4Å; V404-I410 HydrophobicContact CG2-CD1 4.31Å
405	N	45	Very low	48.1	Very low	137 Å²	137	80.8 Å²	80.8	73%	0.733	44%	0.441	S	S	*	.			trans	-88.1	-2.3	172.7	-74.4	-9.3	0	0	0	114	N403	N403-N405 PolarHBondContact O-N 3.03Å
406	D	46.4	Very low	46.9	Very low	82 Å²	82	80.2 Å²	80.2	44%	0.439	44%	0.438	S	S	.	.			trans	-104.7	89.4	169.7	-88.2	-7.7	0	0	0	110.2	S370 T408 A409	S370-D406 WeakPolarHBondContact CB-OD2 3.25Å; S370-D406 PolarHBondContact OG-OD2 3.28Å; D406-T408 PolarHBondContact O-N 3.4Å; D406-A409 PolarHBondContact O-N 3.4Å; D406-A409 VanDerWaalsContact O-N 3.15Å
407	K	43.3	Very low	45.4	Very low	168 Å²	168	84.4 Å²	84.4	73%	0.73	46%	0.456	S	S	*	.	H	α-helix	trans	-49.9	-28.5	169.2	-81.5	-179.5	175	178.1	0	112.2	A409 I410 L411	K407-A409 VanDerWaalsContact C-N 3.34Å; K407-A409 PolarHBondContact O-N 3.13Å; K407-I410 PolarHBondContact O-N 3.38Å; K407-L411 HydrophobicContact CB-CD1 4.35Å; K407-L411 WeakPolarHBondContact O-CB 3.04Å; K407-L411 VanDerWaalsContact O-CG 3.3Å; K407-L411 WeakPolarHBondContact O-CG 3.44Å; K407-L411 PolarHBondContact O-N 3.48Å
408	T	41.1	Very low	44	Very low	71 Å²	71	88.6 Å²	88.6	44%	0.436	48%	0.483	S	S	.	.	H	α-helix	trans	-60.3	-36.5	-179.4	-20.2	0	0	0	0	113.1	D406 A412	D406-T408 PolarHBondContact O-N 3.4Å; T408-A412 VanDerWaalsContact O-CB 3.3Å; T408-A412 WeakPolarHBondContact O-CB 3.33Å; T408-A412 PolarHBondContact O-N 3.32Å
409	A	42.1	Very low	42.6	Very low	9 Å²	9	86.6 Å²	86.6	7%	0.074	48%	0.482	C	S	.	.	H	α-helix	trans	-69.6	-43.1	178.6	0	0	0	0	0	111.9	D406 K407 A412 L413	D406-A409 PolarHBondContact O-N 3.4Å; D406-A409 VanDerWaalsContact O-N 3.15Å; K407-A409 VanDerWaalsContact C-N 3.34Å; K407-A409 PolarHBondContact O-N 3.13Å; A409-A412 PolarHBondContact O-N 3.47Å; A409-L413 WeakPolarHBondContact O-CB 3.38Å; A409-L413 WeakPolarHBondContact O-CD1 3.21Å; A409-L413 WeakPolarHBondContact O-CG 3.38Å; A409-L413 PolarHBondContact O-N 3.26Å
410	I	43.5	Very low	41.2	Very low	58 Å²	58	90.1 Å²	90.1	30%	0.297	49%	0.493	S	S	.	.	H	α-helix	trans	-68.9	-41.5	178.9	-65.3	177.6	0	0	0	110.1	M397 V404 K407 A412 L413 G414	M397-I410 HydrophobicContact CE-CD1 4.07Å; M397-I410 HydrophobicContact CE-CG1 3.73Å; M397-I410 HydrophobicContact SD-CG1 4.4Å; V404-I410 HydrophobicContact CB-CD1 4.14Å; V404-I410 HydrophobicContact CG1-CD1 3.59Å; V404-I410 HydrophobicContact CG1-CG1 4Å; V404-I410 HydrophobicContact CG2-CD1 4.31Å; K407-I410 PolarHBondContact O-N 3.38Å; I410-A412 PolarHBondContact O-N 2.9Å; I410-L413 PolarHBondContact O-N 3.12Å; I410-L413 VanDerWaalsContact O-N 3.13Å; I410-G414 PolarHBondContact O-N 2.93Å
411	L	40.1	Very low	39.8	Very low	110 Å²	110	94.7 Å²	94.7	58%	0.576	52%	0.523	S	S	*	.	H	α-helix	trans	-64.1	-39	177.3	-72.1	167.5	0	0	0	112.3	K407 L413 G414	K407-L411 HydrophobicContact CB-CD1 4.35Å; K407-L411 WeakPolarHBondContact O-CB 3.04Å; K407-L411 VanDerWaalsContact O-CG 3.3Å; K407-L411 WeakPolarHBondContact O-CG 3.44Å; K407-L411 PolarHBondContact O-N 3.48Å; L411-L413 PolarHBondContact O-N 3.23Å; L411-G414 PolarHBondContact O-N 2.94Å
412	A	41.8	Very low	38.9	Very low	35 Å²	35	90.1 Å²	90.1	29%	0.289	51%	0.513	S	S	.	.	H	α-helix	trans	-67.1	-24.2	174.3	0	0	0	0	0	113.5	A374 R381 T408 A409 I410	A374-A412 HydrophobicContact CB-CB 3.47Å; A374-A412 VanDerWaalsContact CB-CB 3.47Å; R381-A412 PolarHBondContact NH1-O 3.01Å; T408-A412 VanDerWaalsContact O-CB 3.3Å; T408-A412 WeakPolarHBondContact O-CB 3.33Å; T408-A412 PolarHBondContact O-N 3.32Å; A409-A412 PolarHBondContact O-N 3.47Å; I410-A412 PolarHBondContact O-N 2.9Å
413	L	46.6	Very low	38	Very low	8 Å²	8	90.9 Å²	90.9	4%	0.042	53%	0.527	C	S	.	.	H	α-helix	trans	-89.7	-22.2	178.9	-67.8	164.1	0	0	0	112.8	F357 I373 A377 R381 I387 L393 A409 I410 L411	F357-L413 HydrophobicContact CE1-CD2 4.04Å; F357-L413 HydrophobicContact CZ-CD2 3.57Å; I373-L413 HydrophobicContact CG2-CD1 4.23Å; I373-L413 HydrophobicContact CG2-CD2 4.28Å; A377-L413 HydrophobicContact CB-CD2 3.84Å; R381-L413 PolarHBondContact NH2-O 2.99Å; R381-L413 VanDerWaalsContact NH2-O 3.08Å; I387-L413 HydrophobicContact CD1-CD2 4.08Å; L393-L413 HydrophobicContact CD2-CB 3.53Å; L393-L413 HydrophobicContact CD2-CD1 3.83Å; L393-L413 HydrophobicContact CD2-CD2 3.96Å; L393-L413 HydrophobicContact CD2-CG 3.94Å; A409-L413 WeakPolarHBondContact O-CB 3.38Å; A409-L413 WeakPolarHBondContact O-CD1 3.21Å; A409-L413 WeakPolarHBondContact O-CG 3.38Å; A409-L413 PolarHBondContact O-N 3.26Å; I410-L413 PolarHBondContact O-N 3.12Å; I410-L413 VanDerWaalsContact O-N 3.13Å; L411-L413 PolarHBondContact O-N 3.23Å
414	G	35.3	Very low	37.4	Very low	16 Å²	16	91.6 Å²	91.6	17%	0.165	53%	0.531	C	S	.	.			trans	135.2	143.6	169.5	0	0	0	0	0	112.4	I390 I410 L411	I390-G414 VanDerWaalsContact CD1-C 3.5Å; I410-G414 PolarHBondContact O-N 2.93Å; L411-G414 PolarHBondContact O-N 2.94Å
415	S	31.4	Very low	37	Very low	73 Å²	73	93.8 Å²	93.8	51%	0.51	55%	0.547	S	S	.	.			trans	-66.4	134.5	-171	72.9	0	0	0	0	113.7
416	V	31.9	Very low	36.4	Very low	82 Å²	82	93.3 Å²	93.3	50%	0.497	55%	0.551	S	S	.	*			trans	-111.9	122.3	168.9	177	0	0	0	0	108	I390	I390-V416 HydrophobicContact CG2-CG2 3.51Å
417	H	29.5	Very low	36.1	Very low	133 Å²	133	95.7 Å²	95.7	62%	0.616	57%	0.569	S	S	*	*			trans	-78.1	116.5	161.2	-88.6	-68.2	0	0	0	108.6	N419	H417-N419 PolarHBondContact O-N 3.48Å
418	T	30	Very low	35.9	Very low	118 Å²	118	93 Å²	93	72%	0.724	57%	0.571	S	S	*	*			trans	-76.4	109.9	158.9	46.1	0	0	0	0	107.4	D420	T418-D420 PolarHBondContact O-N 3.33Å
419	N	31.4	Very low	35.6	Very low	142 Å²	142	93.2 Å²	93.2	76%	0.759	59%	0.587	S	S	*	*			trans	-70.2	110.7	163.4	-72.3	-16.9	0	0	0	107	H417 V421	H417-N419 PolarHBondContact O-N 3.48Å; N419-V421 PolarHBondContact O-N 3.3Å
420	D	29.6	Very low	35.5	Very low	161 Å²	161	98.5 Å²	98.5	86%	0.861	62%	0.621	S	S	*	*			trans	-61.2	101.1	161.4	-86.9	-38.6	0	0	0	107.9	T418 G422	T418-D420 PolarHBondContact O-N 3.33Å; D420-G422 PolarHBondContact O-N 3.05Å
421	V	32.5	Very low	35.2	Very low	135 Å²	135	101 Å²	101	82%	0.818	64%	0.644	S	S	*	*			trans	-77.2	102.2	164.3	175.6	0	0	0	0	106	N419 S423	N419-V421 PolarHBondContact O-N 3.3Å; V421-S423 PolarHBondContact O-N 2.91Å
422	G	31.6	Very low	35.1	Very low	62 Å²	62	100.8 Å²	100.8	64%	0.639	65%	0.649	S	S	*	*			trans	-50	126.8	167.2	0	0	0	0	0	110.6	D420 D424	D420-G422 PolarHBondContact O-N 3.05Å; G422-D424 PolarHBondContact O-N 3.03Å
423	S	31.7	Very low	34.9	Very low	108 Å²	108	106.6 Å²	106.6	76%	0.755	67%	0.674	S	S	*	*			trans	-43	123	162.8	41.9	0	0	0	0	112.5	V421	V421-S423 PolarHBondContact O-N 2.91Å
424	D	35	Very low	34.4	Very low	156 Å²	156	110.8 Å²	110.8	83%	0.834	70%	0.7	S	S	*	*				-167.2	146.3	127	-90.7	-26.7	0	0	0	111.9	G422	G422-D424 PolarHBondContact O-N 3.03Å
425	P	37	Very low	34.4	Very low	105 Å²	105	119.1 Å²	119.1	68%	0.682	73%	0.732	S	S	*	*			trans	-91.1	155.6	-161	36	-34.5	0	0	0	114.2
426	P	33.6	Very low	34.5	Very low	128 Å²	128	120.2 Å²	120.2	83%	0.831	74%	0.739	S	S	*	*			trans	-90.9	138	-177	35.2	-30.5	0	0	0	111.8
427	T	38.5	Very low	34.7	Very low	131 Å²	131	121.6 Å²	121.6	80%	0.804	75%	0.753	S	S	*	*			trans	-112.4	105.4	172.6	-47.6	0	0	0	0	110.4
428	S	39.5	Very low	34.9	Very low	113 Å²	113	120.9 Å²	120.9	79%	0.79	76%	0.758	S	S	*	*			trans	53.9	130.9	143.7	68.8	0	0	0	0	122.3
429	G	36	Very low	35	Very low	74 Å²	74	122 Å²	122	76%	0.763	76%	0.759	S	S	*	*			trans	157.3	104.8	153.4	0	0	0	0	0	114.3
430	P	39.4	Very low	35.2	Very low	121 Å²	121	124.7 Å²	124.7	79%	0.786	76%	0.764	S	S	*	*			trans	-113.8	168.1	-155.4	39.7	-30.6	0	0	0	117.1
431	S	37.3	Very low	35.2	Very low	111 Å²	111	122.6 Å²	122.6	78%	0.776	76%	0.757	S	S	*	*			trans	95.1	158.1	135.6	-105.3	0	0	0	0	120.2
432	P	38.3	Very low	35.4	Very low	105 Å²	105	122.9 Å²	122.9	68%	0.682	76%	0.758	S	S	*	*				-135.9	-159.2	-105.3	35.2	-11.1	0	0	0	112.3
433	L	37.6	Very low	35.4	Very low	156 Å²	156	126 Å²	126	82%	0.817	77%	0.765	S	S	*	*			trans	140.2	145.5	152.1	-75	163.5	0	0	0	111.1
434	V	36.5	Very low	35.4	Very low	97 Å²	97	125.5 Å²	125.5	59%	0.588	77%	0.768	S	S	*	*			cis	173	155.1	-20.9	127.5	0	0	0	0	108.5
435	F	35.2	Very low	35.3	Very low	191 Å²	191	126.8 Å²	126.8	84%	0.838	77%	0.771	S	S	*	*			trans	63.8	150.5	162.4	-70.3	-48.6	0	0	0	119.9
436	S	32.9	Very low	35.2	Very low	95 Å²	95	126.9 Å²	126.9	66%	0.664	77%	0.771	S	S	*	*			cis	148.7	155.5	-18.3	-98.8	0	0	0	0	108.2
437	S	36.7	Very low	35	Very low	112 Å²	112	129.3 Å²	129.3	78%	0.783	77%	0.774	S	S	*	*			trans	88	147.9	153.3	80.1	0	0	0	0	119
438	T	32.6	Very low	34.6	Very low	117 Å²	117	130.2 Å²	130.2	72%	0.718	78%	0.779	S	S	*	*			cis	-175.1	147.8	-14.6	-80.7	0	0	0	0	108.6
439	L	32.8	Very low	34	Very low	142 Å²	142	131.3 Å²	131.3	74%	0.743	78%	0.781	S	S	*	*			trans	5.4	145.7	160	-76.7	81.3	0	0	0	122.5
440	K	36.1	Very low	33.7	Very low	199 Å²	199	135.7 Å²	135.7	87%	0.865	78%	0.782	S	S	*	*				176.8	133.1	97.5	-91.3	-178.2	-176.4	175.9	0	115.8
441	T	29.1	Very low	33.2	Very low	117 Å²	117	137.7 Å²	137.7	72%	0.718	78%	0.78	S	S	*	*			trans	-20.5	145.7	157.2	-37.4	0	0	0	0	120.4
442	V	37.3	Very low	32.7	Very low	140 Å²	140	140.8 Å²	140.8	85%	0.848	78%	0.783	S	S	*	*				179.2	140	118	160.1	0	0	0	0	112.5
443	T	30.1	Very low	32.1	Very low	128 Å²	128	141 Å²	141	79%	0.785	79%	0.787	S	S	*	*			trans	-67.7	143.7	-172.5	-39.4	0	0	0	0	116.9
444	A	33.1	Very low	31.6	Very low	98 Å²	98	139.9 Å²	139.9	81%	0.81	79%	0.787	S	S	*	*				170.6	134.2	129.1	0	0	0	0	0	113.2
445	M	32.9	Very low	31.3	Very low	183 Å²	183	141.6 Å²	141.6	90%	0.901	80%	0.797	S	S	*	*			trans	-85	178.8	176.4	-96.9	-170.2	-174.7	0	0	112.2
446	P	33.8	Very low	30.8	Very low	106 Å²	106	141.1 Å²	141.1	69%	0.688	80%	0.803	S	S	*	*			cis	-142.1	179.3	-19.8	35.5	-14.6	0	0	0	115.7
447	M	29	Very low	30.4	Very low	179 Å²	179	142 Å²	142	88%	0.882	81%	0.809	S	S	*	*			trans	62.5	99.6	154.1	-63.9	-150.7	152.2	0	0	120.1
448	T	31	Very low	30	Very low	150 Å²	150	141.8 Å²	141.8	92%	0.92	81%	0.805	S	S	*	*			trans	-152.3	138.2	131.3	-27.2	0	0	0	0	110.2
449	V	27.5	Very low	29.7	Very low	136 Å²	136	139.9 Å²	139.9	82%	0.824	80%	0.796	S	S	*	*			trans	-83.1	118.3	-174.2	170.2	0	0	0	0	109.5
450	E	29.3	Very low	29.4	Very low	166 Å²	166	142.2 Å²	142.2	78%	0.776	80%	0.801	S	S	*	*			trans	-168.6	125.9	148.5	-117.3	177.3	161.8	0	0	112.1
451	Q	27.8	Very low	29	Very low	163 Å²	163	140.2 Å²	140.2	76%	0.762	79%	0.792	S	S	*	*			trans	49.1	134.7	145.7	-73.9	177.8	-5.4	0	0	122.6
452	Q	27.7	Very low	29	Very low	176 Å²	176	139.2 Å²	139.2	82%	0.822	79%	0.788	S	S	*	*			trans	102.8	124.6	153	-69.9	171.4	5.2	0	0	119
453	S	25.9	Very low	28.4	Very low	111 Å²	111	137.8 Å²	137.8	78%	0.776	77%	0.774	S	S	*	*			trans	88.1	90	149.2	-51.3	0	0	0	0	118.4
454	T	27.1	Very low	28.2	Very low	131 Å²	131	136.7 Å²	136.7	80%	0.804	77%	0.767	S	S	*	*			trans	-135.4	94.9	149.2	49.4	0	0	0	0	110.5
455	T	29.3	Very low	28	Very low	133 Å²	133	133.7 Å²	133.7	82%	0.816	74%	0.737	S	S	*	*			trans	34.9	109.3	130.7	45.8	0	0	0	0	117.9	S457	T455-S457 PolarHBondContact O-N 3.43Å
456	L	25.2	Very low	27.7	Very low	181 Å²	181	132.5 Å²	132.5	95%	0.948	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-48.2	120.8	165.1	-80.7	85.3	0	0	0	111
457	S	24.9	Very low	27.3	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-96.8	122.9	166.5	-160.4	0	0	0	0	108.2	T455	T455-S457 PolarHBondContact O-N 3.43Å
458	P	27.5	Very low	27.3	Very low	108 Å²	108	127.6 Å²	127.6	70%	0.701	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-73.9	135.8	-173.4	29	-31.7	0	0	0	110.7	K460	P458-K460 PolarHBondContact O-N 2.89Å; P458-K460 VanDerWaalsContact O-N 3.1Å
459	S	25.8	Very low	27.1	Very low	78 Å²	78	127.3 Å²	127.3	55%	0.545	71%	0.707	S	S	.	*			trans	-64.8	109	177.2	63.1	0	0	0	0	110.4	F461	S459-F461 PolarHBondContact O-N 2.82Å
460	K	27.7	Very low	27.2	Very low	191 Å²	191	125.6 Å²	125.6	83%	0.83	71%	0.708	S	S	*	*			trans	-79.3	94.4	174.6	-82.6	-179.5	171.8	-178.4	0	110.9	P458	P458-K460 PolarHBondContact O-N 2.89Å; P458-K460 VanDerWaalsContact O-N 3.1Å
461	F	26.8	Very low	27.4	Very low	157 Å²	157	123.3 Å²	123.3	69%	0.689	71%	0.71	S	S	*	*			trans	-147.2	104.1	154.8	-81.8	-78.8	0	0	0	108.9	S459	S459-F461 PolarHBondContact O-N 2.82Å
462	P	28.7	Very low	27.5	Very low	96 Å²	96	121.1 Å²	121.1	62%	0.623	71%	0.708	S	S	*	*			trans	-116.4	98.7	165	23.7	-4.4	0	0	0	110	T464	P462-T464 WeakPolarHBondContact CB-OG1 3.45Å; P462-T464 PolarHBondContact O-N 2.79Å
463	I	26.2	Very low	27.8	Very low	110 Å²	110	120.5 Å²	120.5	56%	0.564	71%	0.71	S	S	*	*			trans	-82.1	82	141.6	-59.4	177.4	0	0	0	104.3	I465	I463-I465 PolarHBondContact O-N 3.45Å
464	T	25.7	Very low	28.3	Very low	104 Å²	104	120.4 Å²	120.4	64%	0.638	71%	0.71	S	S	*	*			trans	-81.7	103.1	177.1	-48.9	0	0	0	0	108.4	P462 R466	P462-T464 WeakPolarHBondContact CB-OG1 3.45Å; P462-T464 PolarHBondContact O-N 2.79Å; T464-R466 PolarHBondContact O-N 3.45Å
465	I	27.8	Very low	28.7	Very low	36 Å²	36	119.5 Å²	119.5	19%	0.185	71%	0.706	C	S	.	*			trans	-72.4	109.6	168.7	-60.2	134	0	0	0	107.8	I463 A467 Y566	I463-I465 PolarHBondContact O-N 3.45Å; I465-A467 PolarHBondContact O-N 2.84Å; I465-Y566 HydrophobicContact CD1-CD2 3.28Å; I465-Y566 HydrophobicContact CD1-CE2 3.21Å; I465-Y566 HydrophobicContact CG1-CD2 4.17Å; I465-Y566 HydrophobicContact CG1-CE2 4.43Å
466	R	26.1	Very low	29.1	Very low	158 Å²	158	119 Å²	119	60%	0.596	70%	0.702	S	S	*	*			trans	-83.6	114	177.5	-81.5	-178.5	173.5	154.9	-2.2	109.5	T464 T468	T464-R466 PolarHBondContact O-N 3.45Å; R466-T468 PolarHBondContact O-N 2.88Å
467	A	25.7	Very low	29.7	Very low	81 Å²	81	116.5 Å²	116.5	67%	0.669	70%	0.695	S	S	*	*			trans	-70.4	117.1	167.3	0	0	0	0	0	109.2	I465	I465-A467 PolarHBondContact O-N 2.84Å
468	T	28.9	Very low	30	Very low	101 Å²	101	117 Å²	117	62%	0.62	69%	0.694	S	S	*	*			trans	-109.1	115.5	169	-38.8	0	0	0	0	107.2	R466 A470	R466-T468 PolarHBondContact O-N 2.88Å; T468-A470 PolarHBondContact O-N 3.37Å
469	T	26.8	Very low	30.3	Very low	143 Å²	143	118.1 Å²	118.1	88%	0.877	70%	0.698	S	S	*	*			trans	-65	119.8	176.7	46	0	0	0	0	109.9
470	A	31.2	Very low	30.5	Very low	100 Å²	100	120 Å²	120	83%	0.826	71%	0.707	S	S	*	*			trans	-116.8	121.9	171.1	0	0	0	0	0	110.1	T468	T468-A470 PolarHBondContact O-N 3.37Å
471	S	32.3	Very low	30.6	Very low	118 Å²	118	117.5 Å²	117.5	83%	0.825	71%	0.707	S	S	*	*			trans	-73.2	140.7	169.5	48.8	0	0	0	0	111.4
472	T	31	Very low	30.8	Very low	118 Å²	118	114.8 Å²	114.8	72%	0.724	71%	0.708	S	S	*	*			trans	-46.7	142.5	175.3	30.5	0	0	0	0	117
473	D	33	Very low	30.8	Very low	163 Å²	163	118.9 Å²	118.9	87%	0.872	72%	0.724	S	S	*	*				-170.2	143.9	109.1	-87.6	-20.7	0	0	0	112.8
474	S	35.6	Very low	30.9	Very low	109 Å²	109	118.1 Å²	118.1	76%	0.762	73%	0.726	S	S	*	*			trans	-101.9	-162	-163.1	-74.7	0	0	0	0	113.5
475	P	37.5	Very low	31.1	Very low	111 Å²	111	119.4 Å²	119.4	72%	0.721	74%	0.739	S	S	*	*				-141.8	-170.4	-59.3	39.7	-21.6	0	0	0	115.8
476	V	37.5	Very low	31.5	Very low	122 Å²	122	125.3 Å²	125.3	74%	0.739	77%	0.768	S	S	*	*			trans	85.1	121.1	155.7	-173.5	0	0	0	0	116.5
477	T	37.1	Very low	31.8	Very low	130 Å²	130	127 Å²	127	80%	0.798	78%	0.782	S	S	*	*				-167.2	143.8	78.1	-44.6	0	0	0	0	113.2
478	T	30.2	Very low	32.6	Very low	124 Å²	124	128.6 Å²	128.6	76%	0.761	78%	0.778	S	S	*	*			trans	-55.7	148.1	175.2	-26.2	0	0	0	0	115.2
479	T	34	Very low	32.8	Very low	130 Å²	130	130.5 Å²	130.5	80%	0.798	79%	0.785	S	S	*	*			trans	-176.3	122.2	133.4	-62.5	0	0	0	0	112.7
480	T	30.7	Very low	33.5	Very low	119 Å²	119	127.8 Å²	127.8	73%	0.73	78%	0.777	S	S	*	*			trans	12.3	120.1	153.2	4.4	0	0	0	0	124.6
481	V	30.8	Very low	34.1	Very low	137 Å²	137	129.3 Å²	129.3	83%	0.83	77%	0.771	S	S	*	*			trans	21.5	109.1	134.8	-168.9	0	0	0	0	120
482	S	29.9	Very low	34.8	Very low	101 Å²	101	127.3 Å²	127.3	71%	0.706	76%	0.757	S	S	*	*			trans	-163.3	120.4	136.2	51.3	0	0	0	0	108.7	P484	S482-P484 WeakPolarHBondContact O-CD 3.32Å
483	L	28.6	Very low	36.4	Very low	182 Å²	182	124.2 Å²	124.2	95%	0.953	75%	0.748	S	S	*	*			trans	-53	117.4	178.8	-120.5	83.2	0	0	0	111.1
484	P	29.3	Very low	38.7	Very low	94 Å²	94	117.9 Å²	117.9	61%	0.61	72%	0.717	S	S	*	*			trans	-107.3	129.1	163	11.2	12.1	0	0	0	109	S482 M486	S482-P484 WeakPolarHBondContact O-CD 3.32Å; P484-M486 PolarHBondContact O-N 3.43Å
485	S	29.3	Very low	41.1	Very low	130 Å²	130	114.1 Å²	114.1	91%	0.909	69%	0.69	S	S	*	*			trans	-50.2	105.5	157.4	43.9	0	0	0	0	108.9
486	M	36	Very low	43.3	Very low	161 Å²	161	114.1 Å²	114.1	79%	0.793	68%	0.684	S	S	*	*			trans	-117.8	115.6	-171.2	-150.2	172.2	-179.3	0	0	109.5	P484 I488	P484-M486 PolarHBondContact O-N 3.43Å; M486-I488 PolarHBondContact O-N 3.48Å
487	E	32.7	Very low	45.6	Very low	194 Å²	194	112 Å²	112	91%	0.907	68%	0.675	S	S	*	*			trans	-51.2	121.7	163.9	-78.1	175.3	135.5	0	0	108.5	D489	E487-D489 PolarHBondContact O-N 2.92Å
488	I	41.8	Very low	47.9	Very low	113 Å²	113	106.3 Å²	106.3	58%	0.579	64%	0.639	S	S	*	*			trans	-79.7	102.6	-179.9	-59.8	173.8	0	0	0	107.3	M486 A490 M555	M486-I488 PolarHBondContact O-N 3.48Å; I488-A490 PolarHBondContact O-N 3.03Å; I488-M555 HydrophobicContact CD1-CE 3.78Å
489	D	33.2	Very low	50.7	Low	142 Å²	142	104.9 Å²	104.9	76%	0.759	62%	0.62	S	S	*	*			trans	-58.2	116.6	165	-116.2	-25	0	0	0	108.9	E487 D491	E487-D489 PolarHBondContact O-N 2.92Å; D489-D491 PolarHBondContact O-N 3.42Å; D489-D491 VanDerWaalsContact O-N 3.12Å
490	A	41.1	Very low	53.1	Low	86 Å²	86	103.3 Å²	103.3	71%	0.711	61%	0.605	S	S	*	*	S	Bend	trans	-79.8	17.2	-170.3	0	0	0	0	0	114.3	I488	I488-A490 PolarHBondContact O-N 3.03Å
491	D	44.7	Very low	55.9	Low	131 Å²	131	101.3 Å²	101.3	70%	0.701	59%	0.59	S	S	*	*			trans	-123.7	19	-155	-141.3	10.7	0	0	0	116.8	D489	D489-D491 PolarHBondContact O-N 3.42Å; D489-D491 VanDerWaalsContact O-N 3.12Å
492	S	47.5	Very low	58.6	Low	76 Å²	76	94.8 Å²	94.8	53%	0.531	55%	0.55	S	S	.	*	S	Bend	trans	-153.6	90.9	176.2	55.4	0	0	0	0	115.1	S495	S492-S495 PolarHBondContact O-N 3.26Å
493	G	64	Low	61.5	Low	53 Å²	53	94.3 Å²	94.3	55%	0.546	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	32.9	-145	163.5	0	0	0	0	0	117.1	S495	G493-S495 PolarHBondContact O-N 2.97Å
494	C	82.1	Confident	64.3	Low	31 Å²	31	90.4 Å²	90.4	21%	0.209	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	84.9	167	-174.2	0	0	0	0	110.1	E558 C559	C494-E558 WeakPolarHBondContact CB-O 3.45Å; C494-C559 HydrophobicContact CB-CB 3.83Å; C494-C559 WeakPolarHBondContact CB-SG 3.33Å; C494-C559 WeakPolarHBondContact SG-CA 3.18Å; C494-C559 WeakPolarHBondContact SG-CB 3.23Å; C494-C559 CovalentContact SG-SG 2.03Å; C494-C559 PolarHBondContact SG-SG 3.17Å
495	S	86	Confident	67.2	Low	29 Å²	29	86.7 Å²	86.7	20%	0.203	49%	0.486	C	S	.	.			trans	-59.2	155.4	171.4	73.1	0	0	0	0	111	S492 G493 S497 K498 R499	S492-S495 PolarHBondContact O-N 3.26Å; G493-S495 PolarHBondContact O-N 2.97Å; S495-S497 PolarHBondContact O-N 3.38Å; S495-S497 PolarHBondContact OG-OG 2.94Å; S495-K498 PolarHBondContact O-N 3.5Å; S495-K498 VanDerWaalsContact O-N 3.13Å; S495-K498 WeakPolarHBondContact OG-CG 3.49Å; S495-K498 PolarHBondContact OG-N 3.39Å; S495-R499 WeakPolarHBondContact O-CB 3.18Å; S495-R499 PolarHBondContact O-N 3.42Å
496	N	83.7	Confident	70.1	Confident	112 Å²	112	80.5 Å²	80.5	60%	0.599	44%	0.442	S	S	*	.	H	α-helix	trans	-57.4	-35.1	177.1	-78.7	-20	0	0	0	112.3	R499 I500	N496-R499 PolarHBondContact O-N 2.93Å; N496-I500 WeakPolarHBondContact O-CD1 3.46Å; N496-I500 VanDerWaalsContact O-CG1 3.24Å; N496-I500 WeakPolarHBondContact O-CG1 3.37Å; N496-I500 PolarHBondContact O-N 2.85Å
497	S	84.4	Confident	72.6	Confident	76 Å²	76	77.9 Å²	77.9	53%	0.531	43%	0.428	S	S	.	.	H	α-helix	trans	-65.3	-46.8	175.4	53	0	0	0	0	112	S495 R499 I500 L501	S495-S497 PolarHBondContact O-N 3.38Å; S495-S497 PolarHBondContact OG-OG 2.94Å; S497-R499 VanDerWaalsContact C-N 3.34Å; S497-R499 PolarHBondContact O-N 3.35Å; S497-I500 PolarHBondContact O-N 3.24Å; S497-L501 WeakPolarHBondContact O-CG 3.14Å; S497-L501 PolarHBondContact O-N 2.75Å
498	K	86.9	Confident	75.4	Confident	12 Å²	12	71 Å²	71	5%	0.052	40%	0.4	C	S	.	.	H	α-helix	trans	-60.8	-42.9	174.5	-72.2	176.5	-177.3	180	0	111.4	S495 I500 L501 V502 E558	S495-K498 PolarHBondContact O-N 3.5Å; S495-K498 VanDerWaalsContact O-N 3.13Å; S495-K498 WeakPolarHBondContact OG-CG 3.49Å; S495-K498 PolarHBondContact OG-N 3.39Å; K498-I500 PolarHBondContact O-N 3.46Å; K498-L501 PolarHBondContact O-N 2.99Å; K498-V502 WeakPolarHBondContact O-CB 3.19Å; K498-V502 VanDerWaalsContact O-CG2 3.3Å; K498-V502 WeakPolarHBondContact O-CG2 3.31Å; K498-V502 PolarHBondContact O-N 2.03Å; K498-E558 VanDerWaalsContact CD-OE2 3.28Å; K498-E558 WeakPolarHBondContact CD-OE2 3.42Å; K498-E558 WeakPolarHBondContact CE-OE2 3.47Å; K498-E558 IonicContact NZ-OE1 3.17Å; K498-E558 IonicContact NZ-OE2 2.64Å; K498-E558 PolarHBondContact NZ-OE2 3.43Å
499	R	87.1	Confident	77.8	Confident	93 Å²	93	65.8 Å²	65.8	35%	0.351	37%	0.374	S	S	.	.	H	α-helix	trans	-57.8	-48.9	176.6	-168.6	-175.7	-62.5	174.5	3.1	112	S495 N496 S497 V502 R503 D562	S495-R499 WeakPolarHBondContact O-CB 3.18Å; S495-R499 PolarHBondContact O-N 3.42Å; N496-R499 PolarHBondContact O-N 2.93Å; S497-R499 VanDerWaalsContact C-N 3.34Å; S497-R499 PolarHBondContact O-N 3.35Å; R499-V502 PolarHBondContact O-N 2.81Å; R499-R503 WeakPolarHBondContact O-CB 3.36Å; R499-R503 VanDerWaalsContact O-CG 3.26Å; R499-R503 WeakPolarHBondContact O-CG 3.49Å; R499-R503 PolarHBondContact O-N 3.33Å; R499-D562 WeakPolarHBondContact CD-OD2 3.24Å; R499-D562 VanDerWaalsContact CG-OD2 3.23Å; R499-D562 WeakPolarHBondContact CG-OD2 3.42Å; R499-D562 IonicContact NE-OD2 3.67Å
500	I	86.4	Confident	80.5	Confident	98 Å²	98	59.7 Å²	59.7	50%	0.503	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-47.3	178.1	-69.8	164.1	0	0	0	110.3	N496 S497 K498 R503 Q504	N496-I500 WeakPolarHBondContact O-CD1 3.46Å; N496-I500 VanDerWaalsContact O-CG1 3.24Å; N496-I500 WeakPolarHBondContact O-CG1 3.37Å; N496-I500 PolarHBondContact O-N 2.85Å; S497-I500 PolarHBondContact O-N 3.24Å; K498-I500 PolarHBondContact O-N 3.46Å; I500-R503 PolarHBondContact O-N 2.87Å; I500-Q504 WeakPolarHBondContact O-CG 3.31Å; I500-Q504 PolarHBondContact O-N 3.28Å
501	L	87.8	Confident	82.8	Confident	76 Å²	76	61.4 Å²	61.4	40%	0.398	33%	0.334	S	S	.	.	H	α-helix	trans	-62.3	-46.8	180	-72.2	169.4	0	0	0	112.4	S497 K498 R503 Q504 C505 C551	S497-L501 WeakPolarHBondContact O-CG 3.14Å; S497-L501 PolarHBondContact O-N 2.75Å; K498-L501 PolarHBondContact O-N 2.99Å; L501-R503 VanDerWaalsContact C-N 3.31Å; L501-R503 PolarHBondContact O-N 3.26Å; L501-Q504 WeakPolarHBondContact O-CB 3.44Å; L501-Q504 PolarHBondContact O-N 2.94Å; L501-C505 PolarHBondContact O-N 3.1Å; L501-C505 PolarHBondContact O-SG 3.41Å; L501-C551 PolarHBondContact O-SG 3.47Å; L501-C551 VanDerWaalsContact O-SG 3.38Å
502	V	87.8	Confident	85	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-39.3	178.7	173.2	0	0	0	0	111.3	K498 R499 C505 L506 M555 F556 V565	K498-V502 WeakPolarHBondContact O-CB 3.19Å; K498-V502 VanDerWaalsContact O-CG2 3.3Å; K498-V502 WeakPolarHBondContact O-CG2 3.31Å; K498-V502 PolarHBondContact O-N 2.03Å; R499-V502 PolarHBondContact O-N 2.81Å; V502-C505 PolarHBondContact O-N 3.33Å; V502-L506 HydrophobicContact CG1-CD1 4.18Å; V502-L506 PolarHBondContact O-N 2.79Å; V502-L506 VanDerWaalsContact O-N 3.08Å; V502-M555 HydrophobicContact CG2-CB 3.39Å; V502-M555 HydrophobicContact CG2-CG 4.5Å; V502-M555 HydrophobicContact CG2-SD 4.43Å; V502-F556 HydrophobicContact CG1-CD1 3.65Å; V502-F556 HydrophobicContact CG1-CE1 3.69Å; V502-F556 HydrophobicContact CG1-CG 4.18Å; V502-F556 HydrophobicContact CG1-CZ 4.27Å; V502-V565 HydrophobicContact CG1-CG2 3.38Å
503	R	90.6	Very high	86.9	Confident	91 Å²	91	54.7 Å²	54.7	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-41.6	174.6	-72.8	-179.5	177.3	-163.2	1.7	112	R499 I500 L501 C505 L506 E507 D562 V564	R499-R503 WeakPolarHBondContact O-CB 3.36Å; R499-R503 VanDerWaalsContact O-CG 3.26Å; R499-R503 WeakPolarHBondContact O-CG 3.49Å; R499-R503 PolarHBondContact O-N 3.33Å; I500-R503 PolarHBondContact O-N 2.87Å; L501-R503 VanDerWaalsContact C-N 3.31Å; L501-R503 PolarHBondContact O-N 3.26Å; R503-C505 VanDerWaalsContact C-N 3.33Å; R503-C505 PolarHBondContact O-N 2.92Å; R503-L506 CarbonylContact O-C 3.52Å; R503-L506 PolarHBondContact O-N 3.42Å; R503-L506 VanDerWaalsContact O-N 3.13Å; R503-E507 PolarHBondContact O-N 3.26Å; R503-D562 IonicContact CZ-OD1 3.75Å; R503-D562 IonicContact CZ-OD2 3.79Å; R503-D562 VanDerWaalsContact CZ-OD2 3.32Å; R503-D562 IonicContact NE-OD1 2.7Å; R503-D562 PolarHBondContact NE-OD1 3.48Å; R503-D562 IonicContact NE-OD2 3.64Å; R503-D562 PolarHBondContact NE-OD2 3.19Å; R503-D562 VanDerWaalsContact NE-OD2 3.17Å; R503-D562 IonicContact NH2-OD1 3.32Å; R503-D562 IonicContact NH2-OD2 3.44Å; R503-D562 PolarHBondContact NH2-OD2 3.29Å; R503-V564 HydrophobicContact CG-CB 4Å; R503-V564 HydrophobicContact CG-CG1 4.16Å; R503-V564 HydrophobicContact CG-CG2 3.92Å
504	Q	88.6	Confident	88	Confident	101 Å²	101	55.9 Å²	55.9	47%	0.472	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-40.8	172.8	-74	172.9	-17	0	0	111.9	I500 L501 L506 E507	I500-Q504 WeakPolarHBondContact O-CG 3.31Å; I500-Q504 PolarHBondContact O-N 3.28Å; L501-Q504 WeakPolarHBondContact O-CB 3.44Å; L501-Q504 PolarHBondContact O-N 2.94Å; Q504-L506 PolarHBondContact O-N 2.85Å; Q504-E507 VanDerWaalsContact O-CB 3.29Å; Q504-E507 WeakPolarHBondContact O-CB 3.39Å; Q504-E507 PolarHBondContact O-N 3.46Å
505	C	89.7	Confident	88.2	Confident	15 Å²	15	58.9 Å²	58.9	10%	0.101	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-26.8	175.5	-73.2	0	0	0	0	113.3	L501 V502 R503 S547 Q550 C551 F556	L501-C505 PolarHBondContact O-N 3.1Å; L501-C505 PolarHBondContact O-SG 3.41Å; V502-C505 PolarHBondContact O-N 3.33Å; R503-C505 VanDerWaalsContact C-N 3.33Å; R503-C505 PolarHBondContact O-N 2.92Å; C505-S547 WeakPolarHBondContact O-CB 3.32Å; C505-Q550 HydrophobicContact CB-CB 4.28Å; C505-Q550 VanDerWaalsContact SG-CB 3.58Å; C505-C551 HydrophobicContact CB-CB 3.71Å; C505-C551 WeakPolarHBondContact CB-SG 3.46Å; C505-C551 WeakPolarHBondContact SG-CB 3.35Å; C505-C551 PolarHBondContact SG-N 2.91Å; C505-C551 CovalentContact SG-SG 2.03Å; C505-C551 PolarHBondContact SG-SG 2.78Å; C505-F556 HydrophobicContact CB-CZ 4.28Å
506	L	91	Very high	88.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-91.9	-9.1	176.1	-71.8	169.5	0	0	0	113.4	V502 R503 Q504 L509 F510 Y544 F556 V564 V565 A568	V502-L506 HydrophobicContact CG1-CD1 4.18Å; V502-L506 PolarHBondContact O-N 2.79Å; V502-L506 VanDerWaalsContact O-N 3.08Å; R503-L506 CarbonylContact O-C 3.52Å; R503-L506 PolarHBondContact O-N 3.42Å; R503-L506 VanDerWaalsContact O-N 3.13Å; Q504-L506 PolarHBondContact O-N 2.85Å; L506-L509 HydrophobicContact CD2-CD2 3.92Å; L506-L509 WeakPolarHBondContact O-CB 3.33Å; L506-L509 PolarHBondContact O-N 2.83Å; L506-L509 VanDerWaalsContact O-N 3.1Å; L506-F510 HydrophobicContact CB-CD2 3.94Å; L506-F510 HydrophobicContact CB-CE2 3.93Å; L506-F510 HydrophobicContact CD1-CE2 4.32Å; L506-F510 WeakPolarHBondContact O-CD2 3.27Å; L506-F510 PolarHBondContact O-N 3.22Å; L506-F510 VanDerWaalsContact O-N 3.15Å; L506-Y544 HydrophobicContact CD2-CD2 4.32Å; L506-Y544 HydrophobicContact CD2-CE2 4.48Å; L506-F556 HydrophobicContact CD1-CD1 4.41Å; L506-F556 HydrophobicContact CD1-CE1 3.91Å; L506-F556 HydrophobicContact CD2-CE1 3.89Å; L506-F556 HydrophobicContact CG-CE1 3.77Å; L506-V564 HydrophobicContact CB-CG1 4.41Å; L506-V564 HydrophobicContact CD1-CG1 4.07Å; L506-V565 HydrophobicContact CD1-CG2 4.11Å; L506-A568 HydrophobicContact CD1-CB 4.12Å; L506-A568 HydrophobicContact CD2-CB 3.9Å
507	E	88.7	Confident	88.5	Confident	107 Å²	107	52.8 Å²	52.8	50%	0.5	26%	0.256	S	S	.	.	H	α-helix	trans	-55	-48.9	-175.4	-178.6	174.3	-159.9	0	0	112.6	R503 Q504 L509 F510 E511	R503-E507 PolarHBondContact O-N 3.26Å; Q504-E507 VanDerWaalsContact O-CB 3.29Å; Q504-E507 WeakPolarHBondContact O-CB 3.39Å; Q504-E507 PolarHBondContact O-N 3.46Å; E507-L509 PolarHBondContact O-N 3.11Å; E507-F510 PolarHBondContact O-N 3.44Å; E507-F510 VanDerWaalsContact O-N 3.11Å; E507-E511 WeakPolarHBondContact O-CG 3.46Å; E507-E511 PolarHBondContact O-N 3.11Å
508	P	90.3	Very high	88.5	Confident	49 Å²	49	55.2 Å²	55.2	32%	0.318	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-32	179.3	-22.7	34.7	0	0	0	113.5	R512 L543	P508-R512 PolarHBondContact O-N 3.45Å; P508-L543 HydrophobicContact CB-CD2 4.2Å
509	L	91.7	Very high	88.6	Confident	3 Å²	3	60 Å²	60	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-46.8	177	170.8	69.3	0	0	0	110.8	L506 E507 R512 L513 L540 L543 Y544 A568 L572	L506-L509 HydrophobicContact CD2-CD2 3.92Å; L506-L509 WeakPolarHBondContact O-CB 3.33Å; L506-L509 PolarHBondContact O-N 2.83Å; L506-L509 VanDerWaalsContact O-N 3.1Å; E507-L509 PolarHBondContact O-N 3.11Å; L509-R512 PolarHBondContact O-N 3.14Å; L509-L513 WeakPolarHBondContact O-CB 3.48Å; L509-L513 PolarHBondContact O-N 2.87Å; L509-L540 HydrophobicContact CD1-CB 4.26Å; L509-L540 HydrophobicContact CD1-CD2 3.82Å; L509-L540 WeakPolarHBondContact CD1-O 3.39Å; L509-L543 HydrophobicContact CB-CB 4.13Å; L509-L543 HydrophobicContact CD1-CB 3.88Å; L509-Y544 HydrophobicContact CD2-CD2 3.75Å; L509-Y544 HydrophobicContact CD2-CG 4.45Å; L509-A568 HydrophobicContact CD2-CB 4.11Å; L509-L572 HydrophobicContact CD1-CD1 3.48Å; L509-L572 VanDerWaalsContact CD1-CD1 3.48Å; L509-L572 HydrophobicContact CD2-CD1 3.86Å; L509-L572 HydrophobicContact CG-CD1 4.17Å
510	F	90.2	Very high	88.5	Confident	15 Å²	15	60.9 Å²	60.9	7%	0.066	29%	0.288	C	S	.	.	H	α-helix	trans	-72.3	-35.3	-177.7	-78.8	-68.9	0	0	0	112.6	L506 E507 R512 L513 I514 V564 V567 A568 L614	L506-F510 HydrophobicContact CB-CD2 3.94Å; L506-F510 HydrophobicContact CB-CE2 3.93Å; L506-F510 HydrophobicContact CD1-CE2 4.32Å; L506-F510 WeakPolarHBondContact O-CD2 3.27Å; L506-F510 PolarHBondContact O-N 3.22Å; L506-F510 VanDerWaalsContact O-N 3.15Å; E507-F510 PolarHBondContact O-N 3.44Å; E507-F510 VanDerWaalsContact O-N 3.11Å; F510-R512 VanDerWaalsContact C-N 3.33Å; F510-R512 PolarHBondContact O-N 3.36Å; F510-L513 HydrophobicContact CD1-CD2 4.01Å; F510-L513 HydrophobicContact CE1-CD2 4.13Å; F510-L513 PolarHBondContact O-N 3.41Å; F510-I514 VanDerWaalsContact O-CG1 3.28Å; F510-I514 WeakPolarHBondContact O-CG1 3.36Å; F510-I514 PolarHBondContact O-N 3.43Å; F510-V564 HydrophobicContact CD2-CG1 3.82Å; F510-V564 HydrophobicContact CE2-CB 4.49Å; F510-V564 HydrophobicContact CE2-CG1 3.24Å; F510-V564 HydrophobicContact CZ-CG1 3.9Å; F510-V564 WeakPolarHBondContact CZ-O 3.38Å; F510-V567 HydrophobicContact CE1-CB 4.49Å; F510-V567 HydrophobicContact CE1-CG1 3.86Å; F510-V567 HydrophobicContact CZ-CB 4.3Å; F510-V567 HydrophobicContact CZ-CG1 4.12Å; F510-A568 HydrophobicContact CE2-CB 4.03Å; F510-A568 HydrophobicContact CZ-CB 3.86Å; F510-L614 HydrophobicContact CD1-CD1 3.19Å; F510-L614 HydrophobicContact CD1-CD2 4.37Å; F510-L614 HydrophobicContact CD1-CG 4.41Å; F510-L614 HydrophobicContact CE1-CD1 3.31Å; F510-L614 HydrophobicContact CE1-CD2 3.96Å; F510-L614 HydrophobicContact CE1-CG 4.3Å; F510-L614 HydrophobicContact CG-CD1 3.98Å; F510-L614 HydrophobicContact CZ-CD1 4.19Å; F510-L614 HydrophobicContact CZ-CD2 4.04Å
511	E	89.1	Confident	88.4	Confident	121 Å²	121	66.6 Å²	66.6	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-55.2	-49.5	169.9	-73.2	-176.4	155.3	0	0	111.2	E507 L513 I514 E515	E507-E511 WeakPolarHBondContact O-CG 3.46Å; E507-E511 PolarHBondContact O-N 3.11Å; E511-L513 VanDerWaalsContact C-N 3.33Å; E511-L513 PolarHBondContact O-N 3.07Å; E511-I514 PolarHBondContact O-N 3.32Å; E511-E515 PolarHBondContact O-N 2.94Å
512	R	91	Very high	88.2	Confident	63 Å²	63	63.4 Å²	63.4	24%	0.238	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-38.6	177.8	-176.2	56.1	171.1	171.8	0.6	112.3	P508 L509 F510 E515 L516 D539 L540 L543	P508-R512 PolarHBondContact O-N 3.45Å; L509-R512 PolarHBondContact O-N 3.14Å; F510-R512 VanDerWaalsContact C-N 3.33Å; F510-R512 PolarHBondContact O-N 3.36Å; R512-E515 WeakPolarHBondContact CD-OE2 3.45Å; R512-E515 IonicContact CZ-OE2 3.72Å; R512-E515 IonicContact NH1-OE1 3.06Å; R512-E515 PolarHBondContact NH1-OE1 2.9Å; R512-E515 IonicContact NH1-OE2 3.5Å; R512-E515 PolarHBondContact NH1-OE2 3.38Å; R512-E515 PolarHBondContact O-N 2.8Å; R512-L516 HydrophobicContact CG-CD1 4.35Å; R512-L516 WeakPolarHBondContact O-CG 3.38Å; R512-L516 PolarHBondContact O-N 3.36Å; R512-D539 IonicContact NH2-OD2 3.87Å; R512-D539 PolarHBondContact NH2-OD2 2.87Å; R512-L540 HydrophobicContact CB-CD2 4.28Å; R512-L540 HydrophobicContact CG-CD2 4Å; R512-L543 HydrophobicContact CB-CD1 3.43Å; R512-L543 VanDerWaalsContact CB-CD1 3.43Å; R512-L543 HydrophobicContact CG-CD1 3.67Å
513	L	88.3	Confident	87.5	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-42.6	178.2	-170.3	66.9	0	0	0	111.3	L509 F510 E511 L516 H517 Y532 L540 L571 I611	L509-L513 WeakPolarHBondContact O-CB 3.48Å; L509-L513 PolarHBondContact O-N 2.87Å; F510-L513 HydrophobicContact CD1-CD2 4.01Å; F510-L513 HydrophobicContact CE1-CD2 4.13Å; F510-L513 PolarHBondContact O-N 3.41Å; E511-L513 VanDerWaalsContact C-N 3.33Å; E511-L513 PolarHBondContact O-N 3.07Å; L513-L516 PolarHBondContact O-N 2.93Å; L513-H517 PolarHBondContact O-N 2.77Å; L513-H517 PolarHBondContact O-ND1 3.31Å; L513-Y532 HydrophobicContact CD1-CE2 3.99Å; L513-L540 HydrophobicContact CB-CD2 4.14Å; L513-L540 HydrophobicContact CD1-CD1 3.79Å; L513-L540 HydrophobicContact CD1-CD2 4.1Å; L513-L571 HydrophobicContact CD2-CD1 3.81Å; L513-I611 HydrophobicContact CB-CD1 4.48Å; L513-I611 HydrophobicContact CD2-CD1 3.47Å; L513-I611 VanDerWaalsContact CD2-CD1 3.47Å; L513-I611 HydrophobicContact CD2-CG1 4.09Å; L513-I611 HydrophobicContact CG-CD1 3.59Å
514	I	85.8	Confident	86.8	Confident	77 Å²	77	68.4 Å²	68.4	40%	0.395	32%	0.317	S	S	.	.	H	α-helix	trans	-62.4	-46	175.5	-69.9	163.8	0	0	0	110.5	F510 E511 L516 H517 H518 I611	F510-I514 VanDerWaalsContact O-CG1 3.28Å; F510-I514 WeakPolarHBondContact O-CG1 3.36Å; F510-I514 PolarHBondContact O-N 3.43Å; E511-I514 PolarHBondContact O-N 3.32Å; I514-L516 VanDerWaalsContact C-N 3.32Å; I514-L516 PolarHBondContact O-N 3.28Å; I514-H517 PolarHBondContact O-N 3.5Å; I514-H518 PolarHBondContact O-N 3.26Å; I514-I611 HydrophobicContact CD1-CG2 4.26Å; I514-I611 HydrophobicContact CG1-CG2 3.63Å
515	E	88.1	Confident	86.3	Confident	95 Å²	95	64.8 Å²	64.8	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-55.8	-47.6	176.3	-169.4	-162.8	160.1	0	0	111.1	E511 R512 H517 H518 L519	E511-E515 PolarHBondContact O-N 2.94Å; R512-E515 WeakPolarHBondContact CD-OE2 3.45Å; R512-E515 IonicContact CZ-OE2 3.72Å; R512-E515 IonicContact NH1-OE1 3.06Å; R512-E515 PolarHBondContact NH1-OE1 2.9Å; R512-E515 IonicContact NH1-OE2 3.5Å; R512-E515 PolarHBondContact NH1-OE2 3.38Å; R512-E515 PolarHBondContact O-N 2.8Å; E515-H517 PolarHBondContact O-N 3.38Å; E515-H518 PolarHBondContact O-N 3.08Å; E515-L519 HydrophobicContact CG-CD1 3.92Å; E515-L519 HydrophobicContact CG-CG 4.44Å; E515-L519 WeakPolarHBondContact O-CB 3.34Å; E515-L519 VanDerWaalsContact O-CG 3.24Å; E515-L519 WeakPolarHBondContact O-CG 3.34Å; E515-L519 PolarHBondContact O-N 3.37Å
516	L	88.9	Confident	85.5	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-37.6	178.4	-71.6	174.9	0	0	0	113	R512 L513 I514 R520 Y532 E536 L540	R512-L516 HydrophobicContact CG-CD1 4.35Å; R512-L516 WeakPolarHBondContact O-CG 3.38Å; R512-L516 PolarHBondContact O-N 3.36Å; L513-L516 PolarHBondContact O-N 2.93Å; I514-L516 VanDerWaalsContact C-N 3.32Å; I514-L516 PolarHBondContact O-N 3.28Å; L516-R520 VanDerWaalsContact O-CB 3.27Å; L516-R520 WeakPolarHBondContact O-CB 3.35Å; L516-R520 VanDerWaalsContact O-CG 3.32Å; L516-R520 WeakPolarHBondContact O-CG 3.32Å; L516-R520 PolarHBondContact O-N 2.9Å; L516-Y532 HydrophobicContact CB-CD1 4.25Å; L516-Y532 HydrophobicContact CB-CE1 3.68Å; L516-E536 HydrophobicContact CD1-CB 3.97Å; L516-E536 HydrophobicContact CD2-CB 4.05Å; L516-E536 HydrophobicContact CD2-CG 3.77Å; L516-L540 HydrophobicContact CD1-CD1 3.87Å; L516-L540 HydrophobicContact CD1-CD2 4.14Å; L516-L540 HydrophobicContact CD1-CG 3.94Å
517	H	85.9	Confident	84.8	Confident	11 Å²	11	64.9 Å²	64.9	5%	0.051	30%	0.3	C	S	.	.	H	α-helix	trans	-60	-46.8	174.9	-83.2	76.2	0	0	0	111.2	L513 I514 E515 R521 L522 P528 Y532 I611	L513-H517 PolarHBondContact O-N 2.77Å; L513-H517 PolarHBondContact O-ND1 3.31Å; I514-H517 PolarHBondContact O-N 3.5Å; E515-H517 PolarHBondContact O-N 3.38Å; H517-R521 WeakPolarHBondContact O-CA 3.48Å; H517-R521 PolarHBondContact O-N 3.47Å; H517-L522 PolarHBondContact CD2-O 3.33Å; H517-L522 PolarHBondContact O-N 2.9Å; H517-P528 WeakPolarHBondContact NE2-CG 3.31Å; H517-Y532 PolarHBondContact CE1-OH 3.04Å; H517-Y532 PolarHBondContact ND1-OH 3.39Å; H517-Y532 PolarHBondContact NE2-OH 3.37Å; H517-I611 WeakPolarHBondContact CE1-CD1 2.98Å; H517-I611 VanDerWaalsContact ND1-CD1 3.28Å; H517-I611 WeakPolarHBondContact ND1-CD1 3.49Å
518	H	84.9	Confident	84.6	Confident	128 Å²	128	59.9 Å²	59.9	59%	0.593	28%	0.277	S	S	*	.	H	α-helix	trans	-67.6	-47.4	-179.3	-168.9	59.4	0	0	0	111.4	I514 E515 R520 R521 E523	I514-H518 PolarHBondContact O-N 3.26Å; E515-H518 PolarHBondContact O-N 3.08Å; H518-R520 VanDerWaalsContact C-N 3.27Å; H518-R520 PolarHBondContact O-N 3.24Å; H518-R521 PolarHBondContact O-N 3.24Å; H518-R521 VanDerWaalsContact O-N 3.14Å; H518-E523 IonicContact CE1-OE1 3.38Å; H518-E523 IonicContact CG-OE1 3.6Å; H518-E523 IonicContact ND1-OE1 3.44Å; H518-E523 PolarHBondContact ND1-OE1 2.87Å
519	L	88.1	Confident	84.4	Confident	112 Å²	112	57.5 Å²	57.5	59%	0.586	26%	0.262	S	S	*	.	H	α-helix	trans	-59.2	-36.9	178.4	-73.3	173.9	0	0	0	112.7	E515	E515-L519 HydrophobicContact CG-CD1 3.92Å; E515-L519 HydrophobicContact CG-CG 4.44Å; E515-L519 WeakPolarHBondContact O-CB 3.34Å; E515-L519 VanDerWaalsContact O-CG 3.24Å; E515-L519 WeakPolarHBondContact O-CG 3.34Å; E515-L519 PolarHBondContact O-N 3.37Å
520	R	85.3	Confident	84.3	Confident	112 Å²	112	57.5 Å²	57.5	42%	0.423	26%	0.261	S	S	.	.	H	α-helix	trans	-92.9	-2	-179.2	-63.1	-67.6	-171.5	175.4	-4.8	113.8	L516 H518 L522 Y532 E536	L516-R520 VanDerWaalsContact O-CB 3.27Å; L516-R520 WeakPolarHBondContact O-CB 3.35Å; L516-R520 VanDerWaalsContact O-CG 3.32Å; L516-R520 WeakPolarHBondContact O-CG 3.32Å; L516-R520 PolarHBondContact O-N 2.9Å; H518-R520 VanDerWaalsContact C-N 3.27Å; H518-R520 PolarHBondContact O-N 3.24Å; R520-L522 VanDerWaalsContact C-N 3.27Å; R520-L522 HydrophobicContact CB-CD1 3.53Å; R520-L522 HydrophobicContact CB-CG 3.61Å; R520-L522 HydrophobicContact CG-CD1 4.31Å; R520-L522 PolarHBondContact O-N 2.92Å; R520-Y532 HydrophobicContact CG-CD1 4.15Å; R520-Y532 HydrophobicContact CG-CE1 4.24Å; R520-E536 IonicContact CZ-OE1 3.25Å; R520-E536 VanDerWaalsContact CZ-OE1 3.28Å; R520-E536 IonicContact CZ-OE2 3.62Å; R520-E536 IonicContact NE-OE1 2.86Å; R520-E536 PolarHBondContact NE-OE1 3.45Å; R520-E536 VanDerWaalsContact NE-OE1 3.07Å; R520-E536 IonicContact NE-OE2 2.69Å; R520-E536 PolarHBondContact NE-OE2 3.47Å; R520-E536 IonicContact NH2-OE1 3.78Å; R520-E536 PolarHBondContact NH2-OE1 3.48Å; R520-E536 IonicContact NH2-OE2 3.08Å; R520-E536 PolarHBondContact NH2-OE2 2.04Å
521	R	85.4	Confident	84.3	Confident	217 Å²	217	57.9 Å²	57.9	82%	0.819	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	42.7	-174.2	-56.2	-179.5	178.7	177.8	-1.9	112.6	H517 H518	H517-R521 WeakPolarHBondContact O-CA 3.48Å; H517-R521 PolarHBondContact O-N 3.47Å; H518-R521 PolarHBondContact O-N 3.24Å; H518-R521 VanDerWaalsContact O-N 3.14Å
522	L	83.5	Confident	84.3	Confident	10 Å²	10	52.1 Å²	52.1	5%	0.052	24%	0.236	C	C	.	.			trans	-101.5	19.1	-178.1	-60.8	174.1	0	0	0	112.5	H517 R520 N524 F525 P528 H531 Y532	H517-L522 PolarHBondContact CD2-O 3.33Å; H517-L522 PolarHBondContact O-N 2.9Å; R520-L522 VanDerWaalsContact C-N 3.27Å; R520-L522 HydrophobicContact CB-CD1 3.53Å; R520-L522 HydrophobicContact CB-CG 3.61Å; R520-L522 HydrophobicContact CG-CD1 4.31Å; R520-L522 PolarHBondContact O-N 2.92Å; L522-N524 PolarHBondContact O-N 2.82Å; L522-F525 HydrophobicContact CB-CB 4.38Å; L522-F525 HydrophobicContact CB-CD2 4.15Å; L522-F525 HydrophobicContact CB-CG 4.47Å; L522-F525 HydrophobicContact CD2-CD2 3.73Å; L522-F525 HydrophobicContact CD2-CE2 3.8Å; L522-F525 HydrophobicContact CD2-CG 4.17Å; L522-F525 HydrophobicContact CD2-CZ 4.29Å; L522-F525 WeakPolarHBondContact O-CB 3.38Å; L522-F525 PolarHBondContact O-N 3.37Å; L522-P528 HydrophobicContact CB-CB 4.31Å; L522-P528 HydrophobicContact CD1-CB 3.89Å; L522-H531 HydrophobicContact CD1-CB 3.5Å; L522-H531 VanDerWaalsContact CD1-CB 3.5Å; L522-H531 HydrophobicContact CD2-CB 3.78Å; L522-H531 HydrophobicContact CG-CB 4.3Å; L522-Y532 HydrophobicContact CD1-CD1 4.11Å; L522-Y532 HydrophobicContact CD1-CE1 3.63Å
523	E	72.1	Confident	84.3	Confident	91 Å²	91	50 Å²	50	43%	0.425	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.5	-175.2	-64.9	159.8	174.4	0	0	112.8	H518 P609	H518-E523 IonicContact CE1-OE1 3.38Å; H518-E523 IonicContact CG-OE1 3.6Å; H518-E523 IonicContact ND1-OE1 3.44Å; H518-E523 PolarHBondContact ND1-OE1 2.87Å; E523-P609 VanDerWaalsContact O-CB 3.29Å; E523-P609 WeakPolarHBondContact O-CB 3.29Å; E523-P609 WeakPolarHBondContact O-CD 3.36Å; E523-P609 WeakPolarHBondContact O-CG 3.47Å
524	N	77.2	Confident	84.3	Confident	105 Å²	105	52.1 Å²	52.1	56%	0.561	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	4.9	179.8	-61.8	-49.8	0	0	0	114.6	L522 L606 G607	L522-N524 PolarHBondContact O-N 2.82Å; N524-L606 HydrophobicContact CB-CD2 4.06Å; N524-L606 CarbonylContact O-C 3.29Å; N524-L606 VanDerWaalsContact O-CA 3.29Å; N524-L606 WeakPolarHBondContact O-CA 3.4Å; N524-G607 CarbonylContact C-O 3.59Å; N524-G607 PolarHBondContact O-N 3.3Å
525	F	77.9	Confident	84.4	Confident	25 Å²	25	56.1 Å²	56.1	11%	0.11	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-93.1	117.8	-179	-77.5	-107.2	0	0	0	109.9	L522 F527 P528 H531 D602 I605 L606	L522-F525 HydrophobicContact CB-CB 4.38Å; L522-F525 HydrophobicContact CB-CD2 4.15Å; L522-F525 HydrophobicContact CB-CG 4.47Å; L522-F525 HydrophobicContact CD2-CD2 3.73Å; L522-F525 HydrophobicContact CD2-CE2 3.8Å; L522-F525 HydrophobicContact CD2-CG 4.17Å; L522-F525 HydrophobicContact CD2-CZ 4.29Å; L522-F525 WeakPolarHBondContact O-CB 3.38Å; L522-F525 PolarHBondContact O-N 3.37Å; F525-F527 PolarHBondContact O-N 3.25Å; F525-P528 HydrophobicContact CB-CB 4.34Å; F525-H531 AromaticContact CE1-CE1 3.61Å; F525-H531 AromaticContact CE1-NE2 3.51Å; F525-D602 HydrophobicContact CE1-CB 4.18Å; F525-D602 HydrophobicContact CZ-CB 4.34Å; F525-I605 HydrophobicContact CD1-CD1 3.72Å; F525-I605 HydrophobicContact CD1-CG1 4.04Å; F525-I605 HydrophobicContact CE1-CD1 3.87Å; F525-I605 HydrophobicContact CE1-CG1 4.22Å; F525-L606 HydrophobicContact CD2-CD2 3.89Å; F525-L606 HydrophobicContact CE1-CD2 4.42Å; F525-L606 HydrophobicContact CE2-CD2 3.73Å; F525-L606 HydrophobicContact CG-CD2 4.31Å; F525-L606 HydrophobicContact CZ-CD2 4.02Å
526	S	72.2	Confident	84.6	Confident	15 Å²	15	53 Å²	53	11%	0.105	24%	0.243	C	C	.	.	S	Bend	trans	-68.5	-22.9	173.3	-55	0	0	0	0	112	I605 A608 L610 I623	S526-I605 PolarHBondContact N-O 3.11Å; S526-A608 PolarHBondContact OG-O 3.12Å; S526-A608 VanDerWaalsContact OG-O 3.1Å; S526-L610 WeakPolarHBondContact O-CD1 3.41Å; S526-L610 WeakPolarHBondContact O-CG 3.35Å; S526-I623 WeakPolarHBondContact O-CD1 3.07Å
527	F	77.5	Confident	84.7	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	24%	0.243	C	C	.	.			trans	-140.9	93.4	176.1	-179	-100.6	0	0	0	111.1	F525 L529 Y530 L571 F575 I623 L655 F658	F525-F527 PolarHBondContact O-N 3.25Å; F527-L529 HydrophobicContact CD2-CD1 4.23Å; F527-L529 HydrophobicContact CD2-CG 4.24Å; F527-L529 HydrophobicContact CE1-CB 3.96Å; F527-L529 HydrophobicContact CE1-CG 4.42Å; F527-L529 HydrophobicContact CE2-CB 4.03Å; F527-L529 HydrophobicContact CE2-CD1 3.24Å; F527-L529 HydrophobicContact CE2-CG 3.61Å; F527-L529 HydrophobicContact CZ-CB 3.62Å; F527-L529 HydrophobicContact CZ-CD1 3.45Å; F527-L529 VanDerWaalsContact CZ-CD1 3.45Å; F527-L529 HydrophobicContact CZ-CG 3.74Å; F527-Y530 HydrophobicContact CD1-CD2 4.29Å; F527-Y530 HydrophobicContact CD1-CE2 4.3Å; F527-Y530 AromaticContact CE1-CD2 3.63Å; F527-Y530 HydrophobicContact CE1-CD2 3.63Å; F527-Y530 AromaticContact CE1-CE2 3.42Å; F527-Y530 HydrophobicContact CE1-CE2 3.42Å; F527-Y530 VanDerWaalsContact CE1-CE2 3.42Å; F527-Y530 HydrophobicContact CZ-CE2 4.24Å; F527-L571 HydrophobicContact CD2-CD2 3.71Å; F527-L571 HydrophobicContact CE2-CD2 4.04Å; F527-F575 HydrophobicContact CE2-CE2 4.25Å; F527-F575 HydrophobicContact CE2-CZ 4.46Å; F527-F575 AromaticContact CZ-CE2 3.98Å; F527-F575 HydrophobicContact CZ-CE2 3.98Å; F527-F575 AromaticContact CZ-CZ 3.74Å; F527-F575 HydrophobicContact CZ-CZ 3.74Å; F527-I623 HydrophobicContact CB-CD1 3.85Å; F527-L655 HydrophobicContact CE1-CD2 4.26Å; F527-F658 HydrophobicContact CD2-CE1 4.08Å; F527-F658 AromaticContact CD2-CE2 3.51Å; F527-F658 HydrophobicContact CD2-CE2 3.51Å; F527-F658 AromaticContact CD2-CZ 3.15Å; F527-F658 HydrophobicContact CD2-CZ 3.15Å; F527-F658 HydrophobicContact CE2-CE1 4.49Å; F527-F658 AromaticContact CE2-CE2 3.3Å; F527-F658 HydrophobicContact CE2-CE2 3.3Å; F527-F658 AromaticContact CE2-CZ 3.24Å; F527-F658 HydrophobicContact CE2-CZ 3.24Å; F527-F658 HydrophobicContact CG-CE2 4.41Å; F527-F658 HydrophobicContact CG-CZ 4.25Å; F527-F658 HydrophobicContact CZ-CE2 4.1Å; F527-F658 HydrophobicContact CZ-CZ 4.41Å
528	P	83.7	Confident	84.8	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.013	25%	0.252	C	S	.	.			trans	-87.9	-4	-171.1	38.2	-44.7	0	0	0	114.2	H517 L522 F525 Y530 H531 Y532	H517-P528 WeakPolarHBondContact NE2-CG 3.31Å; L522-P528 HydrophobicContact CB-CB 4.31Å; L522-P528 HydrophobicContact CD1-CB 3.89Å; F525-P528 HydrophobicContact CB-CB 4.34Å; P528-Y530 VanDerWaalsContact C-N 3.3Å; P528-Y530 PolarHBondContact O-N 3.25Å; P528-Y530 VanDerWaalsContact O-N 3.11Å; P528-H531 WeakPolarHBondContact O-CA 3.22Å; P528-H531 WeakPolarHBondContact O-CB 3.48Å; P528-H531 PolarHBondContact O-N 2.86Å; P528-Y532 HydrophobicContact CB-CE1 4.4Å; P528-Y532 HydrophobicContact CB-CE2 3.8Å; P528-Y532 WeakPolarHBondContact CB-OH 3.38Å; P528-Y532 HydrophobicContact CG-CD2 4.5Å; P528-Y532 HydrophobicContact CG-CE2 3.5Å; P528-Y532 VanDerWaalsContact CG-CE2 3.5Å; P528-Y532 WeakPolarHBondContact CG-OH 3.49Å
529	L	86.8	Confident	85.1	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-63	-30	-160.2	-61.8	-179.9	0	0	0	114.8	F527 H531 Y532 I537 L571 L572 F575 Y588	F527-L529 HydrophobicContact CD2-CD1 4.23Å; F527-L529 HydrophobicContact CD2-CG 4.24Å; F527-L529 HydrophobicContact CE1-CB 3.96Å; F527-L529 HydrophobicContact CE1-CG 4.42Å; F527-L529 HydrophobicContact CE2-CB 4.03Å; F527-L529 HydrophobicContact CE2-CD1 3.24Å; F527-L529 HydrophobicContact CE2-CG 3.61Å; F527-L529 HydrophobicContact CZ-CB 3.62Å; F527-L529 HydrophobicContact CZ-CD1 3.45Å; F527-L529 VanDerWaalsContact CZ-CD1 3.45Å; F527-L529 HydrophobicContact CZ-CG 3.74Å; L529-H531 PolarHBondContact O-N 3.22Å; L529-Y532 HydrophobicContact CD2-CD2 4.05Å; L529-Y532 HydrophobicContact CD2-CE2 4.11Å; L529-I537 HydrophobicContact CB-CD1 4.2Å; L529-I537 HydrophobicContact CD2-CD1 3.87Å; L529-L571 HydrophobicContact CD1-CB 4.35Å; L529-L571 HydrophobicContact CD1-CD2 4.23Å; L529-L571 WeakPolarHBondContact CD1-O 3.38Å; L529-L571 HydrophobicContact CG-CD2 4.22Å; L529-L572 HydrophobicContact CD2-CD2 4.2Å; L529-F575 HydrophobicContact CD1-CD2 3.6Å; L529-F575 HydrophobicContact CD1-CE2 3.31Å; L529-F575 HydrophobicContact CD1-CG 4.32Å; L529-F575 HydrophobicContact CD1-CZ 3.84Å; L529-Y588 PolarHBondContact O-OH 3.36Å
530	Y	89.4	Confident	85.3	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.008	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-78.6	-8.1	174.5	-58	-60.8	0	0	0	113.4	F527 P528 F575 F584 Y588 I591 S592 V595 R596 F631 F651 S654 L655	F527-Y530 HydrophobicContact CD1-CD2 4.29Å; F527-Y530 HydrophobicContact CD1-CE2 4.3Å; F527-Y530 AromaticContact CE1-CD2 3.63Å; F527-Y530 HydrophobicContact CE1-CD2 3.63Å; F527-Y530 AromaticContact CE1-CE2 3.42Å; F527-Y530 HydrophobicContact CE1-CE2 3.42Å; F527-Y530 VanDerWaalsContact CE1-CE2 3.42Å; F527-Y530 HydrophobicContact CZ-CE2 4.24Å; P528-Y530 VanDerWaalsContact C-N 3.3Å; P528-Y530 PolarHBondContact O-N 3.25Å; P528-Y530 VanDerWaalsContact O-N 3.11Å; Y530-F575 HydrophobicContact CE1-CE1 4.34Å; Y530-F584 HydrophobicContact CE1-CE2 4.36Å; Y530-Y588 HydrophobicContact CD1-CD2 4.49Å; Y530-Y588 HydrophobicContact CD1-CE2 4.04Å; Y530-I591 HydrophobicContact CD1-CG2 3.86Å; Y530-I591 HydrophobicContact CE1-CG2 3.65Å; Y530-S592 PolarHBondContact O-OG 2.95Å; Y530-V595 HydrophobicContact CD2-CG1 4.12Å; Y530-V595 HydrophobicContact CD2-CG2 4.42Å; Y530-V595 HydrophobicContact CG-CG1 4.29Å; Y530-R596 PolarHBondContact O-NE 3.15Å; Y530-R596 PolarHBondContact O-NH2 3.1Å; Y530-R596 VanDerWaalsContact O-NH2 3.11Å; Y530-F631 HydrophobicContact CE2-CE1 4.43Å; Y530-F651 HydrophobicContact CD2-CE2 4.33Å; Y530-F651 HydrophobicContact CE1-CD2 4.3Å; Y530-F651 AromaticContact CE2-CD2 3.96Å; Y530-F651 HydrophobicContact CE2-CD2 3.96Å; Y530-F651 AromaticContact CE2-CE2 3.57Å; Y530-F651 HydrophobicContact CE2-CE2 3.57Å; Y530-F651 AromaticContact CZ-CD2 3.64Å; Y530-F651 AromaticContact CZ-CE2 3.77Å; Y530-F651 WeakPolarHBondContact OH-CD2 3.34Å; Y530-S654 PolarHBondContact OH-OG 2.88Å; Y530-L655 HydrophobicContact CE2-CD2 4.14Å
531	H	89.4	Confident	85.6	Confident	23 Å²	23	40.5 Å²	40.5	11%	0.106	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-94.7	-7.7	177	-64.4	-101.4	0	0	0	113.1	L522 F525 P528 L529 R596	L522-H531 HydrophobicContact CD1-CB 3.5Å; L522-H531 VanDerWaalsContact CD1-CB 3.5Å; L522-H531 HydrophobicContact CD2-CB 3.78Å; L522-H531 HydrophobicContact CG-CB 4.3Å; F525-H531 AromaticContact CE1-CE1 3.61Å; F525-H531 AromaticContact CE1-NE2 3.51Å; P528-H531 WeakPolarHBondContact O-CA 3.22Å; P528-H531 WeakPolarHBondContact O-CB 3.48Å; P528-H531 PolarHBondContact O-N 2.86Å; L529-H531 PolarHBondContact O-N 3.22Å; H531-R596 PolarHBondContact O-NH2 3.2Å; H531-R596 VanDerWaalsContact O-NH2 3.07Å
532	Y	90.2	Very high	85.7	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-83	150.9	172	-65	-41.1	0	0	0	114.3	L513 L516 H517 R520 L522 P528 L529 E536 I537 L540 Y588 R596	L513-Y532 HydrophobicContact CD1-CE2 3.99Å; L516-Y532 HydrophobicContact CB-CD1 4.25Å; L516-Y532 HydrophobicContact CB-CE1 3.68Å; H517-Y532 PolarHBondContact CE1-OH 3.04Å; H517-Y532 PolarHBondContact ND1-OH 3.39Å; H517-Y532 PolarHBondContact NE2-OH 3.37Å; R520-Y532 HydrophobicContact CG-CD1 4.15Å; R520-Y532 HydrophobicContact CG-CE1 4.24Å; L522-Y532 HydrophobicContact CD1-CD1 4.11Å; L522-Y532 HydrophobicContact CD1-CE1 3.63Å; P528-Y532 HydrophobicContact CB-CE1 4.4Å; P528-Y532 HydrophobicContact CB-CE2 3.8Å; P528-Y532 WeakPolarHBondContact CB-OH 3.38Å; P528-Y532 HydrophobicContact CG-CD2 4.5Å; P528-Y532 HydrophobicContact CG-CE2 3.5Å; P528-Y532 VanDerWaalsContact CG-CE2 3.5Å; P528-Y532 WeakPolarHBondContact CG-OH 3.49Å; L529-Y532 HydrophobicContact CD2-CD2 4.05Å; L529-Y532 HydrophobicContact CD2-CE2 4.11Å; Y532-E536 WeakPolarHBondContact CA-OE2 3.49Å; Y532-I537 HydrophobicContact CD2-CD1 3.75Å; Y532-I537 HydrophobicContact CG-CD1 4.26Å; Y532-L540 HydrophobicContact CD2-CD1 4.21Å; Y532-L540 HydrophobicContact CE2-CD1 4.26Å; Y532-Y588 PolarHBondContact O-OH 3.36Å; Y532-R596 PolarHBondContact O-NH2 2.95Å
533	G	89.1	Confident	86	Confident	18 Å²	18	34 Å²	34	19%	0.186	17%	0.17	C	C	.	.			trans	-63.4	150.5	167.6	0	0	0	0	0	110.9	K535 E536 I537	G533-K535 PolarHBondContact O-N 3.46Å; G533-E536 PolarHBondContact N-OE2 3.04Å; G533-E536 WeakPolarHBondContact O-CA 3.48Å; G533-E536 WeakPolarHBondContact O-CB 3.36Å; G533-E536 PolarHBondContact O-N 3.25Å; G533-I537 PolarHBondContact O-N 2.82Å
534	K	88.5	Confident	86.9	Confident	50 Å²	50	30.5 Å²	30.5	22%	0.217	15%	0.153	C	C	.	.	H	α-helix	trans	-51.2	-43.4	174	-170.4	-177.9	-136	177.4	0	112.5	E536 I537 M538 H585 Y588 D589	K534-E536 VanDerWaalsContact C-N 3.35Å; K534-E536 PolarHBondContact O-N 3.03Å; K534-I537 PolarHBondContact O-N 3.44Å; K534-M538 WeakPolarHBondContact O-CG 3.14Å; K534-M538 PolarHBondContact O-N 2.9Å; K534-H585 WeakPolarHBondContact CD-NE2 3.24Å; K534-H585 WeakPolarHBondContact CE-CD2 3.36Å; K534-H585 WeakPolarHBondContact CE-CE1 3.21Å; K534-H585 VanDerWaalsContact CE-CG 3.4Å; K534-H585 WeakPolarHBondContact CE-ND1 3.48Å; K534-H585 WeakPolarHBondContact CE-NE2 3.45Å; K534-H585 WeakPolarHBondContact CE-O 3.17Å; K534-H585 PolarHBondContact NZ-CE1 3.46Å; K534-H585 PolarHBondContact NZ-ND1 2.87Å; K534-H585 PolarHBondContact NZ-O 3.37Å; K534-Y588 HydrophobicContact CB-CD1 3.91Å; K534-Y588 HydrophobicContact CB-CE1 4.12Å; K534-Y588 HydrophobicContact CG-CD1 4.1Å; K534-D589 WeakPolarHBondContact CE-OD2 3.06Å; K534-D589 IonicContact NZ-OD2 2.76Å; K534-D589 PolarHBondContact NZ-OD2 3.48Å
535	K	88.5	Confident	87.3	Confident	160 Å²	160	27.1 Å²	27.1	70%	0.696	14%	0.14	S	C	*	.	H	α-helix	trans	-61.4	-40.8	175.4	-174.4	179.2	177.1	-177.2	0	112.4	G533 M538 D539	G533-K535 PolarHBondContact O-N 3.46Å; K535-M538 PolarHBondContact O-N 3.36Å; K535-D539 VanDerWaalsContact O-CG 3.3Å; K535-D539 PolarHBondContact O-N 3.45Å
536	E	92	Very high	87.5	Confident	29 Å²	29	28 Å²	28	14%	0.136	15%	0.148	C	C	.	.	H	α-helix	trans	-66.9	-38.7	179.7	-61.7	170.7	169.3	0	0	111.1	L516 R520 Y532 G533 K534 M538 D539 L540	L516-E536 HydrophobicContact CD1-CB 3.97Å; L516-E536 HydrophobicContact CD2-CB 4.05Å; L516-E536 HydrophobicContact CD2-CG 3.77Å; R520-E536 IonicContact CZ-OE1 3.25Å; R520-E536 VanDerWaalsContact CZ-OE1 3.28Å; R520-E536 IonicContact CZ-OE2 3.62Å; R520-E536 IonicContact NE-OE1 2.86Å; R520-E536 PolarHBondContact NE-OE1 3.45Å; R520-E536 VanDerWaalsContact NE-OE1 3.07Å; R520-E536 IonicContact NE-OE2 2.69Å; R520-E536 PolarHBondContact NE-OE2 3.47Å; R520-E536 IonicContact NH2-OE1 3.78Å; R520-E536 PolarHBondContact NH2-OE1 3.48Å; R520-E536 IonicContact NH2-OE2 3.08Å; R520-E536 PolarHBondContact NH2-OE2 2.04Å; Y532-E536 WeakPolarHBondContact CA-OE2 3.49Å; G533-E536 PolarHBondContact N-OE2 3.04Å; G533-E536 WeakPolarHBondContact O-CA 3.48Å; G533-E536 WeakPolarHBondContact O-CB 3.36Å; G533-E536 PolarHBondContact O-N 3.25Å; K534-E536 VanDerWaalsContact C-N 3.35Å; K534-E536 PolarHBondContact O-N 3.03Å; E536-M538 VanDerWaalsContact C-N 3.35Å; E536-D539 PolarHBondContact O-N 2.96Å; E536-L540 WeakPolarHBondContact O-CG 3.46Å; E536-L540 PolarHBondContact O-N 3.36Å
537	I	91.3	Very high	88.2	Confident	4 Å²	4	27.3 Å²	27.3	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-62.9	-42.3	171.9	-63.3	-64.7	0	0	0	111.1	L529 Y532 G533 K534 L540 C541 F584 Y588	L529-I537 HydrophobicContact CB-CD1 4.2Å; L529-I537 HydrophobicContact CD2-CD1 3.87Å; Y532-I537 HydrophobicContact CD2-CD1 3.75Å; Y532-I537 HydrophobicContact CG-CD1 4.26Å; G533-I537 PolarHBondContact O-N 2.82Å; K534-I537 PolarHBondContact O-N 3.44Å; I537-L540 PolarHBondContact O-N 3.35Å; I537-C541 PolarHBondContact O-N 2.82Å; I537-C541 PolarHBondContact O-SG 2.83Å; I537-F584 HydrophobicContact CG2-CE1 4.07Å; I537-Y588 HydrophobicContact CG1-CE1 4.49Å; I537-Y588 HydrophobicContact CG1-CE2 4.42Å
538	M	88.7	Confident	88.4	Confident	45 Å²	45	29.9 Å²	29.9	22%	0.222	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-42.7	176.7	-68.5	-58.8	-57.5	0	0	111.8	K534 K535 E536 L540 C541 D542 I581	K534-M538 WeakPolarHBondContact O-CG 3.14Å; K534-M538 PolarHBondContact O-N 2.9Å; K535-M538 PolarHBondContact O-N 3.36Å; E536-M538 VanDerWaalsContact C-N 3.35Å; M538-L540 VanDerWaalsContact C-N 3.31Å; M538-L540 PolarHBondContact O-N 3.39Å; M538-C541 WeakPolarHBondContact O-CB 3.45Å; M538-C541 PolarHBondContact O-N 2.99Å; M538-C541 VanDerWaalsContact O-N 3.12Å; M538-D542 PolarHBondContact O-N 2.72Å; M538-I581 HydrophobicContact CE-CD1 3.92Å; M538-I581 HydrophobicContact SD-CD1 4.1Å; M538-I581 HydrophobicContact SD-CG1 4.27Å
539	D	90.5	Very high	87.9	Confident	49 Å²	49	32.7 Å²	32.7	26%	0.262	17%	0.169	S	C	.	.	H	α-helix	trans	-58.4	-43.1	174.7	-66.2	-9.3	0	0	0	111	R512 K535 E536 D542 L543	R512-D539 IonicContact NH2-OD2 3.87Å; R512-D539 PolarHBondContact NH2-OD2 2.87Å; K535-D539 VanDerWaalsContact O-CG 3.3Å; K535-D539 PolarHBondContact O-N 3.45Å; E536-D539 PolarHBondContact O-N 2.96Å; D539-D542 PolarHBondContact O-N 3.19Å; D539-L543 WeakPolarHBondContact O-CG 3.49Å; D539-L543 PolarHBondContact O-N 2.86Å; D539-L543 VanDerWaalsContact O-N 3.13Å
540	L	92.3	Very high	87.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-39.2	175.2	-70.7	171.5	0	0	0	112	L509 R512 L513 L516 Y532 E536 I537 M538 D542 L543 Y544 L572	L509-L540 HydrophobicContact CD1-CB 4.26Å; L509-L540 HydrophobicContact CD1-CD2 3.82Å; L509-L540 WeakPolarHBondContact CD1-O 3.39Å; R512-L540 HydrophobicContact CB-CD2 4.28Å; R512-L540 HydrophobicContact CG-CD2 4Å; L513-L540 HydrophobicContact CB-CD2 4.14Å; L513-L540 HydrophobicContact CD1-CD1 3.79Å; L513-L540 HydrophobicContact CD1-CD2 4.1Å; L516-L540 HydrophobicContact CD1-CD1 3.87Å; L516-L540 HydrophobicContact CD1-CD2 4.14Å; L516-L540 HydrophobicContact CD1-CG 3.94Å; Y532-L540 HydrophobicContact CD2-CD1 4.21Å; Y532-L540 HydrophobicContact CE2-CD1 4.26Å; E536-L540 WeakPolarHBondContact O-CG 3.46Å; E536-L540 PolarHBondContact O-N 3.36Å; I537-L540 PolarHBondContact O-N 3.35Å; M538-L540 VanDerWaalsContact C-N 3.31Å; M538-L540 PolarHBondContact O-N 3.39Å; L540-D542 VanDerWaalsContact C-N 3.34Å; L540-L543 PolarHBondContact O-N 3.02Å; L540-Y544 WeakPolarHBondContact O-CB 3.29Å; L540-Y544 PolarHBondContact O-N 2.92Å; L540-L572 HydrophobicContact CB-CD1 4.11Å; L540-L572 HydrophobicContact CB-CD2 4.19Å
541	C	91.3	Very high	86.9	Confident	4 Å²	4	38.1 Å²	38.1	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-36.7	176	-70.2	0	0	0	0	112.8	I537 M538 Y544 A545 C576 I581	I537-C541 PolarHBondContact O-N 2.82Å; I537-C541 PolarHBondContact O-SG 2.83Å; M538-C541 WeakPolarHBondContact O-CB 3.45Å; M538-C541 PolarHBondContact O-N 2.99Å; M538-C541 VanDerWaalsContact O-N 3.12Å; C541-Y544 PolarHBondContact O-N 3.32Å; C541-A545 WeakPolarHBondContact O-CB 3.36Å; C541-A545 PolarHBondContact O-N 2.95Å; C541-C576 WeakPolarHBondContact CA-SG 3.49Å; C541-C576 HydrophobicContact CB-CB 3.52Å; C541-C576 WeakPolarHBondContact CB-SG 3.19Å; C541-C576 WeakPolarHBondContact SG-CA 3.47Å; C541-C576 WeakPolarHBondContact SG-CB 3.48Å; C541-C576 CovalentContact SG-SG 2.03Å; C541-C576 PolarHBondContact SG-SG 3.3Å; C541-I581 HydrophobicContact CB-CD1 4.33Å
542	D	87.5	Confident	86.2	Confident	39 Å²	39	39 Å²	39	21%	0.209	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-41.7	175.6	-73.4	-15.6	0	0	0	111.3	M538 D539 L540 A545 T546	M538-D542 PolarHBondContact O-N 2.72Å; D539-D542 PolarHBondContact O-N 3.19Å; L540-D542 VanDerWaalsContact C-N 3.34Å; D542-A545 PolarHBondContact O-N 3.33Å; D542-T546 WeakPolarHBondContact O-CB 3.13Å; D542-T546 PolarHBondContact O-N 3.49Å; D542-T546 PolarHBondContact O-OG1 3Å
543	L	90	Very high	85.5	Confident	51 Å²	51	42.2 Å²	42.2	27%	0.267	22%	0.217	S	C	.	.	H	α-helix	trans	-65.8	-41.9	174.9	-69.3	169.7	0	0	0	111.9	P508 L509 R512 D539 L540 T546 S547	P508-L543 HydrophobicContact CB-CD2 4.2Å; L509-L543 HydrophobicContact CB-CB 4.13Å; L509-L543 HydrophobicContact CD1-CB 3.88Å; R512-L543 HydrophobicContact CB-CD1 3.43Å; R512-L543 VanDerWaalsContact CB-CD1 3.43Å; R512-L543 HydrophobicContact CG-CD1 3.67Å; D539-L543 WeakPolarHBondContact O-CG 3.49Å; D539-L543 PolarHBondContact O-N 2.86Å; D539-L543 VanDerWaalsContact O-N 3.13Å; L540-L543 PolarHBondContact O-N 3.02Å; L543-T546 WeakPolarHBondContact O-CB 3.43Å; L543-T546 PolarHBondContact O-N 2.85Å; L543-T546 VanDerWaalsContact O-N 3.17Å; L543-S547 PolarHBondContact O-N 2.93Å
544	Y	90.9	Very high	84.9	Confident	18 Å²	18	43.2 Å²	43.2	7%	0.071	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-39.4	175.5	-173.3	-116.5	0	0	0	112.2	L506 L509 L540 C541 T546 S547 F548 A568 N569 L572 C576	L506-Y544 HydrophobicContact CD2-CD2 4.32Å; L506-Y544 HydrophobicContact CD2-CE2 4.48Å; L509-Y544 HydrophobicContact CD2-CD2 3.75Å; L509-Y544 HydrophobicContact CD2-CG 4.45Å; L540-Y544 WeakPolarHBondContact O-CB 3.29Å; L540-Y544 PolarHBondContact O-N 2.92Å; C541-Y544 PolarHBondContact O-N 3.32Å; Y544-T546 VanDerWaalsContact C-N 3.31Å; Y544-T546 PolarHBondContact O-N 3Å; Y544-S547 PolarHBondContact O-N 3.45Å; Y544-S547 PolarHBondContact O-OG 3.41Å; Y544-F548 AromaticContact CD1-CE2 3.89Å; Y544-F548 HydrophobicContact CD1-CE2 3.89Å; Y544-F548 HydrophobicContact CD2-CE2 4.27Å; Y544-F548 AromaticContact CE1-CE2 3.58Å; Y544-F548 HydrophobicContact CE1-CE2 3.58Å; Y544-F548 AromaticContact CE1-CZ 3.98Å; Y544-F548 HydrophobicContact CE1-CZ 3.98Å; Y544-F548 AromaticContact CE2-CE2 3.98Å; Y544-F548 HydrophobicContact CE2-CE2 3.98Å; Y544-F548 AromaticContact CE2-CZ 3.96Å; Y544-F548 HydrophobicContact CE2-CZ 3.96Å; Y544-F548 HydrophobicContact CG-CE2 4.24Å; Y544-F548 AromaticContact CZ-CE2 3.63Å; Y544-F548 AromaticContact CZ-CZ 3.58Å; Y544-F548 WeakPolarHBondContact O-CD2 3.42Å; Y544-F548 WeakPolarHBondContact O-CE2 3.37Å; Y544-A568 HydrophobicContact CD2-CB 4.34Å; Y544-A568 HydrophobicContact CE2-CB 3.9Å; Y544-N569 WeakPolarHBondContact OH-CA 3.32Å; Y544-N569 PolarHBondContact OH-OD1 3.46Å; Y544-L572 HydrophobicContact CD1-CB 3.95Å; Y544-L572 HydrophobicContact CD2-CB 4.31Å; Y544-L572 HydrophobicContact CD2-CD1 4.42Å; Y544-L572 HydrophobicContact CE1-CB 4.25Å; Y544-L572 HydrophobicContact CG-CB 3.97Å; Y544-L572 HydrophobicContact CG-CD1 4.21Å; Y544-C576 HydrophobicContact CD1-CB 3.92Å
545	A	85.1	Confident	84.6	Confident	35 Å²	35	41.4 Å²	41.4	29%	0.289	21%	0.212	S	C	.	.	H	α-helix	trans	-64.7	-38	172.2	0	0	0	0	0	111.6	C541 D542 S547 F548	C541-A545 WeakPolarHBondContact O-CB 3.36Å; C541-A545 PolarHBondContact O-N 2.95Å; D542-A545 PolarHBondContact O-N 3.33Å; A545-S547 VanDerWaalsContact C-N 3.32Å; A545-S547 PolarHBondContact O-N 3.25Å; A545-F548 PolarHBondContact O-N 3.06Å
546	T	83.6	Confident	84.3	Confident	43 Å²	43	34.4 Å²	34.4	26%	0.264	18%	0.181	S	C	.	.	H	α-helix	trans	-64.6	-33.8	178.8	-58.6	0	0	0	0	112.4	D542 L543 Y544 F548 L549 Q550	D542-T546 WeakPolarHBondContact O-CB 3.13Å; D542-T546 PolarHBondContact O-N 3.49Å; D542-T546 PolarHBondContact O-OG1 3Å; L543-T546 WeakPolarHBondContact O-CB 3.43Å; L543-T546 PolarHBondContact O-N 2.85Å; L543-T546 VanDerWaalsContact O-N 3.17Å; Y544-T546 VanDerWaalsContact C-N 3.31Å; Y544-T546 PolarHBondContact O-N 3Å; T546-F548 PolarHBondContact O-N 3.38Å; T546-L549 WeakPolarHBondContact O-CA 3.43Å; T546-L549 WeakPolarHBondContact O-CB 3.41Å; T546-L549 PolarHBondContact O-N 3.39Å; T546-Q550 HydrophobicContact CG2-CG 4.47Å; T546-Q550 PolarHBondContact O-N 3.43Å; T546-Q550 VanDerWaalsContact O-N 3.17Å
547	S	85.6	Confident	83.7	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-33.7	177.8	68.8	0	0	0	0	112.6	C505 L543 Y544 A545 L549 Q550 C551 F556	C505-S547 WeakPolarHBondContact O-CB 3.32Å; L543-S547 PolarHBondContact O-N 2.93Å; Y544-S547 PolarHBondContact O-N 3.45Å; Y544-S547 PolarHBondContact O-OG 3.41Å; A545-S547 VanDerWaalsContact C-N 3.32Å; A545-S547 PolarHBondContact O-N 3.25Å; S547-L549 VanDerWaalsContact C-N 3.26Å; S547-L549 PolarHBondContact O-N 2.72Å; S547-Q550 PolarHBondContact O-N 3.34Å; S547-C551 PolarHBondContact O-N 3.37Å; S547-F556 WeakPolarHBondContact O-CZ 3.29Å
548	F	81.3	Confident	83.1	Confident	54 Å²	54	39.9 Å²	39.9	24%	0.237	21%	0.207	C	C	.	.	H	α-helix	trans	-76.1	-11.4	175.2	-60.1	-66.9	0	0	0	114.2	Y544 A545 T546 C551 F553 F556	Y544-F548 AromaticContact CD1-CE2 3.89Å; Y544-F548 HydrophobicContact CD1-CE2 3.89Å; Y544-F548 HydrophobicContact CD2-CE2 4.27Å; Y544-F548 AromaticContact CE1-CE2 3.58Å; Y544-F548 HydrophobicContact CE1-CE2 3.58Å; Y544-F548 AromaticContact CE1-CZ 3.98Å; Y544-F548 HydrophobicContact CE1-CZ 3.98Å; Y544-F548 AromaticContact CE2-CE2 3.98Å; Y544-F548 HydrophobicContact CE2-CE2 3.98Å; Y544-F548 AromaticContact CE2-CZ 3.96Å; Y544-F548 HydrophobicContact CE2-CZ 3.96Å; Y544-F548 HydrophobicContact CG-CE2 4.24Å; Y544-F548 AromaticContact CZ-CE2 3.63Å; Y544-F548 AromaticContact CZ-CZ 3.58Å; Y544-F548 WeakPolarHBondContact O-CD2 3.42Å; Y544-F548 WeakPolarHBondContact O-CE2 3.37Å; A545-F548 PolarHBondContact O-N 3.06Å; T546-F548 PolarHBondContact O-N 3.38Å; F548-C551 CarbonylContact C-O 3.44Å; F548-C551 VanDerWaalsContact O-O 3.09Å; F548-F553 AromaticContact CD1-CD2 3.51Å; F548-F553 HydrophobicContact CD1-CD2 3.51Å; F548-F553 HydrophobicContact CD1-CE2 4.15Å; F548-F553 AromaticContact CE1-CD2 3.55Å; F548-F553 HydrophobicContact CE1-CD2 3.55Å; F548-F553 AromaticContact CE1-CE2 3.74Å; F548-F553 HydrophobicContact CE1-CE2 3.74Å; F548-F553 HydrophobicContact CG-CD2 4.38Å; F548-F553 HydrophobicContact CZ-CD2 4.46Å; F548-F553 HydrophobicContact CZ-CE2 4.3Å; F548-F556 HydrophobicContact CD1-CD1 4.44Å; F548-F556 AromaticContact CD1-CD2 3.6Å; F548-F556 HydrophobicContact CD1-CD2 3.6Å; F548-F556 HydrophobicContact CD1-CE1 4.45Å; F548-F556 AromaticContact CD1-CE2 3.6Å; F548-F556 HydrophobicContact CD1-CE2 3.6Å; F548-F556 HydrophobicContact CD1-CG 4.04Å; F548-F556 HydrophobicContact CD1-CZ 4.07Å; F548-F556 HydrophobicContact CE1-CB 4.11Å; F548-F556 AromaticContact CE1-CD1 3.86Å; F548-F556 HydrophobicContact CE1-CD1 3.86Å; F548-F556 AromaticContact CE1-CD2 3.72Å; F548-F556 HydrophobicContact CE1-CD2 3.72Å; F548-F556 HydrophobicContact CE1-CE1 4.16Å; F548-F556 HydrophobicContact CE1-CE2 4.01Å; F548-F556 AromaticContact CE1-CG 3.64Å; F548-F556 HydrophobicContact CE1-CG 3.64Å; F548-F556 HydrophobicContact CE1-CZ 4.24Å; F548-F556 HydrophobicContact CG-CE2 4.47Å
549	L	74.9	Confident	82.9	Confident	62 Å²	62	37.8 Å²	37.8	33%	0.325	20%	0.197	S	C	.	.	H	α-helix	trans	-90.6	-24	173.1	-63.2	168.5	0	0	0	111.6	Q290 T546 S547	Q290-L549 HydrophobicContact CB-CD1 3.73Å; Q290-L549 HydrophobicContact CG-CD1 3.67Å; T546-L549 WeakPolarHBondContact O-CA 3.43Å; T546-L549 WeakPolarHBondContact O-CB 3.41Å; T546-L549 PolarHBondContact O-N 3.39Å; S547-L549 VanDerWaalsContact C-N 3.26Å; S547-L549 PolarHBondContact O-N 2.72Å
550	Q	76.8	Confident	82.4	Confident	108 Å²	108	37.4 Å²	37.4	51%	0.505	20%	0.2	S	C	.	.	H	α-helix	trans	-88.2	-36.1	177.2	-65.5	178.4	0.8	0	0	112.3	C505 T546 S547	C505-Q550 HydrophobicContact CB-CB 4.28Å; C505-Q550 VanDerWaalsContact SG-CB 3.58Å; T546-Q550 HydrophobicContact CG2-CG 4.47Å; T546-Q550 PolarHBondContact O-N 3.43Å; T546-Q550 VanDerWaalsContact O-N 3.17Å; S547-Q550 PolarHBondContact O-N 3.34Å
551	C	77.3	Confident	81.6	Confident	7 Å²	7	42.3 Å²	42.3	5%	0.047	23%	0.226	C	C	.	.	S	Bend	trans	-120.1	141.6	179.5	-82.8	0	0	0	0	111.2	L501 C505 S547 F548 F553 F556	L501-C551 PolarHBondContact O-SG 3.47Å; L501-C551 VanDerWaalsContact O-SG 3.38Å; C505-C551 HydrophobicContact CB-CB 3.71Å; C505-C551 WeakPolarHBondContact CB-SG 3.46Å; C505-C551 WeakPolarHBondContact SG-CB 3.35Å; C505-C551 PolarHBondContact SG-N 2.91Å; C505-C551 CovalentContact SG-SG 2.03Å; C505-C551 PolarHBondContact SG-SG 2.78Å; S547-C551 PolarHBondContact O-N 3.37Å; F548-C551 CarbonylContact C-O 3.44Å; F548-C551 VanDerWaalsContact O-O 3.09Å; C551-F553 PolarHBondContact O-N 2.88Å; C551-F556 HydrophobicContact CB-CD2 4.41Å; C551-F556 HydrophobicContact CB-CE2 3.5Å; C551-F556 VanDerWaalsContact CB-CE2 3.5Å; C551-F556 HydrophobicContact CB-CZ 4Å
552	P	76	Confident	81.2	Confident	41 Å²	41	42.7 Å²	42.7	27%	0.266	23%	0.228	S	C	.	.			trans	-55.6	134.5	171.5	-23.5	33.1	0	0	0	111.6	T554 M555	P552-T554 PolarHBondContact O-N 2.77Å; P552-T554 VanDerWaalsContact O-N 3.13Å; P552-M555 HydrophobicContact CB-CG 4.3Å; P552-M555 HydrophobicContact CG-CE 4.14Å; P552-M555 HydrophobicContact CG-CG 4.43Å; P552-M555 HydrophobicContact CG-SD 4.38Å; P552-M555 WeakPolarHBondContact O-CB 3.26Å; P552-M555 PolarHBondContact O-N 3.19Å
553	F	75.3	Confident	80.8	Confident	68 Å²	68	41.8 Å²	41.8	30%	0.298	22%	0.223	S	C	.	.	H	α-helix	trans	-55.6	-32.4	178.1	-174.6	-96.8	0	0	0	112.9	F548 C551 M555 F556 Q557	F548-F553 AromaticContact CD1-CD2 3.51Å; F548-F553 HydrophobicContact CD1-CD2 3.51Å; F548-F553 HydrophobicContact CD1-CE2 4.15Å; F548-F553 AromaticContact CE1-CD2 3.55Å; F548-F553 HydrophobicContact CE1-CD2 3.55Å; F548-F553 AromaticContact CE1-CE2 3.74Å; F548-F553 HydrophobicContact CE1-CE2 3.74Å; F548-F553 HydrophobicContact CG-CD2 4.38Å; F548-F553 HydrophobicContact CZ-CD2 4.46Å; F548-F553 HydrophobicContact CZ-CE2 4.3Å; C551-F553 PolarHBondContact O-N 2.88Å; F553-M555 PolarHBondContact O-N 2.88Å; F553-F556 WeakPolarHBondContact O-CB 3.5Å; F553-F556 PolarHBondContact O-N 3.31Å; F553-F556 VanDerWaalsContact O-N 3.08Å; F553-Q557 VanDerWaalsContact CD1-CD 3.45Å; F553-Q557 HydrophobicContact CD1-CG 3.68Å; F553-Q557 HydrophobicContact CE1-CG 3.44Å; F553-Q557 VanDerWaalsContact CE1-CG 3.44Å; F553-Q557 HydrophobicContact CZ-CG 4.2Å; F553-Q557 PolarHBondContact O-N 3.34Å; F553-Q557 VanDerWaalsContact O-N 3.1Å
554	T	75.2	Confident	80.6	Confident	39 Å²	39	40 Å²	40	24%	0.239	21%	0.214	C	C	.	.	H	α-helix	trans	-57.2	-36.9	175.8	47.2	0	0	0	0	112.3	P552 F556 Q557 E558	P552-T554 PolarHBondContact O-N 2.77Å; P552-T554 VanDerWaalsContact O-N 3.13Å; T554-F556 VanDerWaalsContact C-N 3.35Å; T554-F556 PolarHBondContact O-N 2.88Å; T554-Q557 PolarHBondContact O-N 2.94Å; T554-E558 WeakPolarHBondContact O-CB 3.39Å; T554-E558 VanDerWaalsContact O-CG 3.27Å; T554-E558 WeakPolarHBondContact O-CG 3.26Å; T554-E558 PolarHBondContact O-N 3.17Å
555	M	82	Confident	80.4	Confident	13 Å²	13	39.5 Å²	39.5	6%	0.064	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-37.8	176.7	-62.5	-171.9	175.8	0	0	111.9	I488 V502 P552 F553 Q557 E558 C559	I488-M555 HydrophobicContact CD1-CE 3.78Å; V502-M555 HydrophobicContact CG2-CB 3.39Å; V502-M555 HydrophobicContact CG2-CG 4.5Å; V502-M555 HydrophobicContact CG2-SD 4.43Å; P552-M555 HydrophobicContact CB-CG 4.3Å; P552-M555 HydrophobicContact CG-CE 4.14Å; P552-M555 HydrophobicContact CG-CG 4.43Å; P552-M555 HydrophobicContact CG-SD 4.38Å; P552-M555 WeakPolarHBondContact O-CB 3.26Å; P552-M555 PolarHBondContact O-N 3.19Å; F553-M555 PolarHBondContact O-N 2.88Å; M555-Q557 VanDerWaalsContact C-N 3.33Å; M555-E558 PolarHBondContact O-N 3.44Å; M555-C559 WeakPolarHBondContact O-CB 3.37Å; M555-C559 PolarHBondContact O-N 3.27Å; M555-C559 PolarHBondContact O-SG 2.99Å
556	F	81.9	Confident	80.3	Confident	12 Å²	12	38.3 Å²	38.3	5%	0.053	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-36.4	174.1	-67	-94.4	0	0	0	111.9	V502 C505 L506 S547 F548 C551 F553 T554 C559 A560 V565	V502-F556 HydrophobicContact CG1-CD1 3.65Å; V502-F556 HydrophobicContact CG1-CE1 3.69Å; V502-F556 HydrophobicContact CG1-CG 4.18Å; V502-F556 HydrophobicContact CG1-CZ 4.27Å; C505-F556 HydrophobicContact CB-CZ 4.28Å; L506-F556 HydrophobicContact CD1-CD1 4.41Å; L506-F556 HydrophobicContact CD1-CE1 3.91Å; L506-F556 HydrophobicContact CD2-CE1 3.89Å; L506-F556 HydrophobicContact CG-CE1 3.77Å; S547-F556 WeakPolarHBondContact O-CZ 3.29Å; F548-F556 HydrophobicContact CD1-CD1 4.44Å; F548-F556 AromaticContact CD1-CD2 3.6Å; F548-F556 HydrophobicContact CD1-CD2 3.6Å; F548-F556 HydrophobicContact CD1-CE1 4.45Å; F548-F556 AromaticContact CD1-CE2 3.6Å; F548-F556 HydrophobicContact CD1-CE2 3.6Å; F548-F556 HydrophobicContact CD1-CG 4.04Å; F548-F556 HydrophobicContact CD1-CZ 4.07Å; F548-F556 HydrophobicContact CE1-CB 4.11Å; F548-F556 AromaticContact CE1-CD1 3.86Å; F548-F556 HydrophobicContact CE1-CD1 3.86Å; F548-F556 AromaticContact CE1-CD2 3.72Å; F548-F556 HydrophobicContact CE1-CD2 3.72Å; F548-F556 HydrophobicContact CE1-CE1 4.16Å; F548-F556 HydrophobicContact CE1-CE2 4.01Å; F548-F556 AromaticContact CE1-CG 3.64Å; F548-F556 HydrophobicContact CE1-CG 3.64Å; F548-F556 HydrophobicContact CE1-CZ 4.24Å; F548-F556 HydrophobicContact CG-CE2 4.47Å; C551-F556 HydrophobicContact CB-CD2 4.41Å; C551-F556 HydrophobicContact CB-CE2 3.5Å; C551-F556 VanDerWaalsContact CB-CE2 3.5Å; C551-F556 HydrophobicContact CB-CZ 4Å; F553-F556 WeakPolarHBondContact O-CB 3.5Å; F553-F556 PolarHBondContact O-N 3.31Å; F553-F556 VanDerWaalsContact O-N 3.08Å; T554-F556 VanDerWaalsContact C-N 3.35Å; T554-F556 PolarHBondContact O-N 2.88Å; F556-C559 CarbonylContact O-C 2.98Å; F556-A560 WeakPolarHBondContact O-CA 3.45Å; F556-A560 PolarHBondContact O-N 3.22Å; F556-V565 HydrophobicContact CB-CG1 4.45Å; F556-V565 HydrophobicContact CD1-CG1 4.29Å
557	Q	79.8	Confident	80.3	Confident	73 Å²	73	36.2 Å²	36.2	34%	0.341	19%	0.188	S	C	.	.	H	α-helix	trans	-68.6	-45.1	176.5	-65.6	-179.7	-71.1	0	0	111.7	F553 T554 M555 C559 A560	F553-Q557 VanDerWaalsContact CD1-CD 3.45Å; F553-Q557 HydrophobicContact CD1-CG 3.68Å; F553-Q557 HydrophobicContact CE1-CG 3.44Å; F553-Q557 VanDerWaalsContact CE1-CG 3.44Å; F553-Q557 HydrophobicContact CZ-CG 4.2Å; F553-Q557 PolarHBondContact O-N 3.34Å; F553-Q557 VanDerWaalsContact O-N 3.1Å; T554-Q557 PolarHBondContact O-N 2.94Å; M555-Q557 VanDerWaalsContact C-N 3.33Å; Q557-C559 VanDerWaalsContact C-N 3.31Å; Q557-A560 VanDerWaalsContact O-CB 3.27Å; Q557-A560 WeakPolarHBondContact O-CB 3.18Å; Q557-A560 PolarHBondContact O-N 3.04Å
558	E	79	Confident	80.4	Confident	76 Å²	76	36.3 Å²	36.3	36%	0.355	19%	0.189	S	C	.	.	H	α-helix	trans	-66.5	-36	178.5	-70.7	167.9	-176.5	0	0	111.6	C494 K498 T554 M555	C494-E558 WeakPolarHBondContact CB-O 3.45Å; K498-E558 VanDerWaalsContact CD-OE2 3.28Å; K498-E558 WeakPolarHBondContact CD-OE2 3.42Å; K498-E558 WeakPolarHBondContact CE-OE2 3.47Å; K498-E558 IonicContact NZ-OE1 3.17Å; K498-E558 IonicContact NZ-OE2 2.64Å; K498-E558 PolarHBondContact NZ-OE2 3.43Å; T554-E558 WeakPolarHBondContact O-CB 3.39Å; T554-E558 VanDerWaalsContact O-CG 3.27Å; T554-E558 WeakPolarHBondContact O-CG 3.26Å; T554-E558 PolarHBondContact O-N 3.17Å; M555-E558 PolarHBondContact O-N 3.44Å
559	C	85.1	Confident	80.5	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.007	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	21.8	175.6	-63.9	0	0	0	0	113.9	C494 M555 F556 Q557 D561 D562 V565	C494-C559 HydrophobicContact CB-CB 3.83Å; C494-C559 WeakPolarHBondContact CB-SG 3.33Å; C494-C559 WeakPolarHBondContact SG-CA 3.18Å; C494-C559 WeakPolarHBondContact SG-CB 3.23Å; C494-C559 CovalentContact SG-SG 2.03Å; C494-C559 PolarHBondContact SG-SG 3.17Å; M555-C559 WeakPolarHBondContact O-CB 3.37Å; M555-C559 PolarHBondContact O-N 3.27Å; M555-C559 PolarHBondContact O-SG 2.99Å; F556-C559 CarbonylContact O-C 2.98Å; Q557-C559 VanDerWaalsContact C-N 3.31Å; C559-D561 PolarHBondContact O-N 2.96Å; C559-D562 HydrophobicContact CB-CB 4.32Å; C559-D562 WeakPolarHBondContact O-CB 3.36Å; C559-D562 PolarHBondContact O-N 2.92Å; C559-V565 HydrophobicContact CB-CG2 4.22Å; C559-V565 WeakPolarHBondContact O-CB 3.42Å
560	A	80.2	Confident	80.8	Confident	41 Å²	41	33.4 Å²	33.4	34%	0.339	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26	-178	0	0	0	0	0	113.8	F556 Q557 D562	F556-A560 WeakPolarHBondContact O-CA 3.45Å; F556-A560 PolarHBondContact O-N 3.22Å; Q557-A560 VanDerWaalsContact O-CB 3.27Å; Q557-A560 WeakPolarHBondContact O-CB 3.18Å; Q557-A560 PolarHBondContact O-N 3.04Å; A560-D562 VanDerWaalsContact C-N 3.34Å
561	D	75.6	Confident	81.2	Confident	102 Å²	102	28.5 Å²	28.5	55%	0.545	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.3	175.4	-67.3	-37.4	0	0	0	113.2	C559 H563	C559-D561 PolarHBondContact O-N 2.96Å; D561-H563 PolarHBondContact O-N 3.3Å
562	D	82.5	Confident	81.7	Confident	13 Å²	13	28.3 Å²	28.3	7%	0.07	15%	0.152	C	C	.	.	S	Bend	trans	-64.8	130.5	172.5	-174.9	-98	0	0	0	110	R499 R503 C559 A560 V564 V565 Y566	R499-D562 WeakPolarHBondContact CD-OD2 3.24Å; R499-D562 VanDerWaalsContact CG-OD2 3.23Å; R499-D562 WeakPolarHBondContact CG-OD2 3.42Å; R499-D562 IonicContact NE-OD2 3.67Å; R503-D562 IonicContact CZ-OD1 3.75Å; R503-D562 IonicContact CZ-OD2 3.79Å; R503-D562 VanDerWaalsContact CZ-OD2 3.32Å; R503-D562 IonicContact NE-OD1 2.7Å; R503-D562 PolarHBondContact NE-OD1 3.48Å; R503-D562 IonicContact NE-OD2 3.64Å; R503-D562 PolarHBondContact NE-OD2 3.19Å; R503-D562 VanDerWaalsContact NE-OD2 3.17Å; R503-D562 IonicContact NH2-OD1 3.32Å; R503-D562 IonicContact NH2-OD2 3.44Å; R503-D562 PolarHBondContact NH2-OD2 3.29Å; C559-D562 HydrophobicContact CB-CB 4.32Å; C559-D562 WeakPolarHBondContact O-CB 3.36Å; C559-D562 PolarHBondContact O-N 2.92Å; A560-D562 VanDerWaalsContact C-N 3.34Å; D562-V564 VanDerWaalsContact C-N 3.26Å; D562-V564 PolarHBondContact O-N 3.42Å; D562-V564 VanDerWaalsContact OD1-CB 3.26Å; D562-V564 WeakPolarHBondContact OD1-CB 3.49Å; D562-V564 PolarHBondContact OD1-N 2.89Å; D562-V564 VanDerWaalsContact OD1-N 3.11Å; D562-V565 HydrophobicContact CB-CB 4.3Å; D562-V565 HydrophobicContact CB-CG2 4.02Å; D562-V565 PolarHBondContact O-N 2.88Å; D562-V565 VanDerWaalsContact O-N 3.13Å; D562-Y566 WeakPolarHBondContact O-CB 3.4Å; D562-Y566 PolarHBondContact O-N 2.8Å
563	H	79.4	Confident	82.2	Confident	20 Å²	20	27 Å²	27	9%	0.093	15%	0.146	C	C	.	.	H	α-helix	trans	-56.8	-38.6	-174.7	-177.7	-98.3	0	0	0	112.9	D561 Y566 V567 L610 G620	D561-H563 PolarHBondContact O-N 3.3Å; H563-Y566 PolarHBondContact O-N 3.3Å; H563-V567 VanDerWaalsContact CE1-CG2 3.4Å; H563-V567 WeakPolarHBondContact CE1-CG2 3.28Å; H563-V567 WeakPolarHBondContact O-CB 3.38Å; H563-V567 VanDerWaalsContact O-CG2 3.26Å; H563-V567 WeakPolarHBondContact O-CG2 3.29Å; H563-V567 PolarHBondContact O-N 3.23Å; H563-L610 PolarHBondContact CE1-O 2.97Å; H563-G620 VanDerWaalsContact NE2-CA 3.26Å; H563-G620 WeakPolarHBondContact NE2-CA 3.4Å; H563-G620 PolarHBondContact NE2-O 2.76Å
564	V	85.2	Confident	82.5	Confident	12 Å²	12	24 Å²	24	7%	0.073	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-44.9	-179.8	-177.4	0	0	0	0	110.6	R503 L506 F510 D562 V567 A568 L614	R503-V564 HydrophobicContact CG-CB 4Å; R503-V564 HydrophobicContact CG-CG1 4.16Å; R503-V564 HydrophobicContact CG-CG2 3.92Å; L506-V564 HydrophobicContact CB-CG1 4.41Å; L506-V564 HydrophobicContact CD1-CG1 4.07Å; F510-V564 HydrophobicContact CD2-CG1 3.82Å; F510-V564 HydrophobicContact CE2-CB 4.49Å; F510-V564 HydrophobicContact CE2-CG1 3.24Å; F510-V564 HydrophobicContact CZ-CG1 3.9Å; F510-V564 WeakPolarHBondContact CZ-O 3.38Å; D562-V564 VanDerWaalsContact C-N 3.26Å; D562-V564 PolarHBondContact O-N 3.42Å; D562-V564 VanDerWaalsContact OD1-CB 3.26Å; D562-V564 WeakPolarHBondContact OD1-CB 3.49Å; D562-V564 PolarHBondContact OD1-N 2.89Å; D562-V564 VanDerWaalsContact OD1-N 3.11Å; V564-V567 PolarHBondContact O-N 3.33Å; V564-A568 WeakPolarHBondContact O-CB 3.4Å; V564-A568 PolarHBondContact O-N 3.49Å; V564-L614 HydrophobicContact CB-CD2 4.04Å; V564-L614 HydrophobicContact CG1-CD2 4.04Å; V564-L614 HydrophobicContact CG2-CD2 3.69Å
565	V	86.5	Confident	83	Confident	9 Å²	9	22.2 Å²	22.2	6%	0.055	12%	0.122	C	C	.	.	H	α-helix	trans	-65.8	-44.9	177.8	-179.1	0	0	0	0	110.8	V502 L506 F556 C559 D562 A568 N569	V502-V565 HydrophobicContact CG1-CG2 3.38Å; L506-V565 HydrophobicContact CD1-CG2 4.11Å; F556-V565 HydrophobicContact CB-CG1 4.45Å; F556-V565 HydrophobicContact CD1-CG1 4.29Å; C559-V565 HydrophobicContact CB-CG2 4.22Å; C559-V565 WeakPolarHBondContact O-CB 3.42Å; D562-V565 HydrophobicContact CB-CB 4.3Å; D562-V565 HydrophobicContact CB-CG2 4.02Å; D562-V565 PolarHBondContact O-N 2.88Å; D562-V565 VanDerWaalsContact O-N 3.13Å; V565-A568 PolarHBondContact O-N 3.3Å; V565-N569 WeakPolarHBondContact O-CB 3.43Å; V565-N569 PolarHBondContact O-N 3.49Å
566	Y	83.2	Confident	83.2	Confident	9 Å²	9	22.4 Å²	22.4	4%	0.035	13%	0.125	C	C	.	.	H	α-helix	trans	-56.6	-50.7	175.4	166.1	-108.4	0	0	0	111.4	I465 D562 H563 A568 N569 A570 R622	I465-Y566 HydrophobicContact CD1-CD2 3.28Å; I465-Y566 HydrophobicContact CD1-CE2 3.21Å; I465-Y566 HydrophobicContact CG1-CD2 4.17Å; I465-Y566 HydrophobicContact CG1-CE2 4.43Å; D562-Y566 WeakPolarHBondContact O-CB 3.4Å; D562-Y566 PolarHBondContact O-N 2.8Å; H563-Y566 PolarHBondContact O-N 3.3Å; Y566-A568 PolarHBondContact O-N 2.94Å; Y566-N569 PolarHBondContact O-N 3.4Å; Y566-A570 HydrophobicContact CD2-CB 4.46Å; Y566-A570 HydrophobicContact CE2-CB 4.01Å; Y566-A570 VanDerWaalsContact O-CB 3.24Å; Y566-A570 WeakPolarHBondContact O-CB 3.49Å; Y566-A570 PolarHBondContact O-N 2.88Å; Y566-R622 HydrophobicContact CE1-CB 4.35Å; Y566-R622 HydrophobicContact CE1-CG 3.72Å
567	V	82.8	Confident	83	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-45.9	-179.3	170.7	0	0	0	0	110.9	F510 H563 V564 N569 A570 L571 L610	F510-V567 HydrophobicContact CE1-CB 4.49Å; F510-V567 HydrophobicContact CE1-CG1 3.86Å; F510-V567 HydrophobicContact CZ-CB 4.3Å; F510-V567 HydrophobicContact CZ-CG1 4.12Å; H563-V567 VanDerWaalsContact CE1-CG2 3.4Å; H563-V567 WeakPolarHBondContact CE1-CG2 3.28Å; H563-V567 WeakPolarHBondContact O-CB 3.38Å; H563-V567 VanDerWaalsContact O-CG2 3.26Å; H563-V567 WeakPolarHBondContact O-CG2 3.29Å; H563-V567 PolarHBondContact O-N 3.23Å; V564-V567 PolarHBondContact O-N 3.33Å; V567-N569 VanDerWaalsContact C-N 3.33Å; V567-N569 PolarHBondContact O-N 3.43Å; V567-A570 PolarHBondContact O-N 3.42Å; V567-L571 HydrophobicContact CG1-CD1 3.65Å; V567-L571 HydrophobicContact CG1-CG 4.28Å; V567-L571 VanDerWaalsContact O-CB 3.31Å; V567-L571 WeakPolarHBondContact O-CB 3.37Å; V567-L571 WeakPolarHBondContact O-CG 3.32Å; V567-L571 PolarHBondContact O-N 2.86Å; V567-L610 HydrophobicContact CG1-CB 4.2Å; V567-L610 HydrophobicContact CG2-CB 4.38Å; V567-L610 HydrophobicContact CG2-CD2 4.2Å
568	A	88	Confident	82.6	Confident	3 Å²	3	20.8 Å²	20.8	3%	0.025	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-45.6	177.7	0	0	0	0	0	111.3	L506 L509 F510 Y544 V564 V565 Y566 L572	L506-A568 HydrophobicContact CD1-CB 4.12Å; L506-A568 HydrophobicContact CD2-CB 3.9Å; L509-A568 HydrophobicContact CD2-CB 4.11Å; F510-A568 HydrophobicContact CE2-CB 4.03Å; F510-A568 HydrophobicContact CZ-CB 3.86Å; Y544-A568 HydrophobicContact CD2-CB 4.34Å; Y544-A568 HydrophobicContact CE2-CB 3.9Å; V564-A568 WeakPolarHBondContact O-CB 3.4Å; V564-A568 PolarHBondContact O-N 3.49Å; V565-A568 PolarHBondContact O-N 3.3Å; Y566-A568 PolarHBondContact O-N 2.94Å; A568-L572 WeakPolarHBondContact O-CB 3.36Å; A568-L572 PolarHBondContact O-N 3.08Å
569	N	83.5	Confident	81.8	Confident	52 Å²	52	18.6 Å²	18.6	28%	0.278	11%	0.111	S	C	.	.	I	π-helix	trans	-70.8	-40.2	179.5	-172.3	51.2	0	0	0	113.1	Y544 V565 Y566 V567 L571 G573	Y544-N569 WeakPolarHBondContact OH-CA 3.32Å; Y544-N569 PolarHBondContact OH-OD1 3.46Å; V565-N569 WeakPolarHBondContact O-CB 3.43Å; V565-N569 PolarHBondContact O-N 3.49Å; Y566-N569 PolarHBondContact O-N 3.4Å; V567-N569 VanDerWaalsContact C-N 3.33Å; V567-N569 PolarHBondContact O-N 3.43Å; N569-L571 VanDerWaalsContact C-N 3.35Å; N569-G573 WeakPolarHBondContact O-CA 3.37Å; N569-G573 PolarHBondContact O-N 3.02Å
570	A	81	Confident	81.4	Confident	3 Å²	3	19.3 Å²	19.3	3%	0.025	11%	0.114	C	C	.	.	I	π-helix	trans	-66	-39.3	177.9	0	0	0	0	0	111.6	Y566 V567 F658	Y566-A570 HydrophobicContact CD2-CB 4.46Å; Y566-A570 HydrophobicContact CE2-CB 4.01Å; Y566-A570 VanDerWaalsContact O-CB 3.24Å; Y566-A570 WeakPolarHBondContact O-CB 3.49Å; Y566-A570 PolarHBondContact O-N 2.88Å; V567-A570 PolarHBondContact O-N 3.42Å; A570-F658 HydrophobicContact CB-CD1 4.04Å; A570-F658 HydrophobicContact CB-CE1 3.8Å; A570-F658 HydrophobicContact CB-CZ 4.4Å; A570-F658 WeakPolarHBondContact O-CZ 3.32Å
571	L	85.6	Confident	81.5	Confident	4 Å²	4	18 Å²	18	2%	0.021	10%	0.102	C	C	.	.	I	π-helix	trans	-75.9	-44.7	177.1	-70.6	174.8	0	0	0	112.2	L513 F527 L529 V567 N569 F575 L610 F658	L513-L571 HydrophobicContact CD2-CD1 3.81Å; F527-L571 HydrophobicContact CD2-CD2 3.71Å; F527-L571 HydrophobicContact CE2-CD2 4.04Å; L529-L571 HydrophobicContact CD1-CB 4.35Å; L529-L571 HydrophobicContact CD1-CD2 4.23Å; L529-L571 WeakPolarHBondContact CD1-O 3.38Å; L529-L571 HydrophobicContact CG-CD2 4.22Å; V567-L571 HydrophobicContact CG1-CD1 3.65Å; V567-L571 HydrophobicContact CG1-CG 4.28Å; V567-L571 VanDerWaalsContact O-CB 3.31Å; V567-L571 WeakPolarHBondContact O-CB 3.37Å; V567-L571 WeakPolarHBondContact O-CG 3.32Å; V567-L571 PolarHBondContact O-N 2.86Å; N569-L571 VanDerWaalsContact C-N 3.35Å; L571-F575 WeakPolarHBondContact O-CD2 3.44Å; L571-F575 WeakPolarHBondContact O-CE2 3.23Å; L571-L610 HydrophobicContact CD2-CD1 4.15Å; L571-L610 HydrophobicContact CG-CD1 4.39Å; L571-F658 HydrophobicContact CD2-CZ 4.17Å
572	L	89	Confident	81.7	Confident	3 Å²	3	16.7 Å²	16.7	2%	0.016	10%	0.1	C	C	.	.	I	π-helix	trans	-118.4	-17.3	-166	-62.1	178	0	0	0	114	L509 L529 L540 Y544 A568 Y574 F575 C576	L509-L572 HydrophobicContact CD1-CD1 3.48Å; L509-L572 VanDerWaalsContact CD1-CD1 3.48Å; L509-L572 HydrophobicContact CD2-CD1 3.86Å; L509-L572 HydrophobicContact CG-CD1 4.17Å; L529-L572 HydrophobicContact CD2-CD2 4.2Å; L540-L572 HydrophobicContact CB-CD1 4.11Å; L540-L572 HydrophobicContact CB-CD2 4.19Å; Y544-L572 HydrophobicContact CD1-CB 3.95Å; Y544-L572 HydrophobicContact CD2-CB 4.31Å; Y544-L572 HydrophobicContact CD2-CD1 4.42Å; Y544-L572 HydrophobicContact CE1-CB 4.25Å; Y544-L572 HydrophobicContact CG-CB 3.97Å; Y544-L572 HydrophobicContact CG-CD1 4.21Å; A568-L572 WeakPolarHBondContact O-CB 3.36Å; A568-L572 PolarHBondContact O-N 3.08Å; L572-Y574 VanDerWaalsContact C-N 3.29Å; L572-Y574 PolarHBondContact O-N 3.1Å; L572-F575 PolarHBondContact O-N 3.31Å; L572-C576 HydrophobicContact CB-CB 4.45Å; L572-C576 WeakPolarHBondContact O-CA 3.47Å; L572-C576 WeakPolarHBondContact O-CB 3.33Å; L572-C576 PolarHBondContact O-N 2.95Å; L572-C576 PolarHBondContact O-SG 2.99Å
573	G	84.6	Confident	81.6	Confident	14 Å²	14	17.6 Å²	17.6	14%	0.144	11%	0.108	C	C	.	.	I	π-helix	trans	-54.3	-42.4	-174.8	0	0	0	0	0	113.2	N569 S577	N569-G573 WeakPolarHBondContact O-CA 3.37Å; N569-G573 PolarHBondContact O-N 3.02Å; G573-S577 WeakPolarHBondContact O-CB 3.29Å; G573-S577 PolarHBondContact O-N 3.33Å
574	Y	82.6	Confident	81.8	Confident	6 Å²	6	16.9 Å²	16.9	2%	0.024	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-46.8	175.1	179.3	-91.5	0	0	0	113.2	L572 C576 S577 H580 I650 Q653 Q657	L572-Y574 VanDerWaalsContact C-N 3.29Å; L572-Y574 PolarHBondContact O-N 3.1Å; Y574-C576 VanDerWaalsContact C-N 3.32Å; Y574-C576 PolarHBondContact O-N 3.46Å; Y574-S577 WeakPolarHBondContact O-CB 3.04Å; Y574-S577 PolarHBondContact O-N 3.27Å; Y574-H580 HydrophobicContact CD1-CB 4.39Å; Y574-H580 HydrophobicContact CD2-CB 4.41Å; Y574-H580 AromaticContact CD2-CD2 3.42Å; Y574-H580 VanDerWaalsContact CD2-CD2 3.42Å; Y574-H580 WeakPolarHBondContact CD2-CD2 3.35Å; Y574-H580 AromaticContact CD2-CG 3.77Å; Y574-H580 AromaticContact CD2-NE2 3.7Å; Y574-H580 HydrophobicContact CE1-CB 4.11Å; Y574-H580 HydrophobicContact CE2-CB 4.2Å; Y574-H580 AromaticContact CE2-CD2 3.42Å; Y574-H580 VanDerWaalsContact CE2-CD2 3.42Å; Y574-H580 WeakPolarHBondContact CE2-CD2 3.31Å; Y574-H580 AromaticContact CE2-CE1 3.4Å; Y574-H580 WeakPolarHBondContact CE2-CE1 3.4Å; Y574-H580 AromaticContact CE2-CG 3.41Å; Y574-H580 VanDerWaalsContact CE2-CG 3.41Å; Y574-H580 AromaticContact CE2-ND1 3.38Å; Y574-H580 WeakPolarHBondContact CE2-ND1 3.26Å; Y574-H580 AromaticContact CE2-NE2 3.43Å; Y574-H580 WeakPolarHBondContact CE2-NE2 3.26Å; Y574-H580 AromaticContact CZ-CE1 3.99Å; Y574-H580 AromaticContact CZ-CG 3.63Å; Y574-H580 AromaticContact CZ-ND1 3.52Å; Y574-H580 VanDerWaalsContact O-CB 3.29Å; Y574-H580 WeakPolarHBondContact O-CB 3.32Å; Y574-H580 PolarHBondContact OH-ND1 3.27Å; Y574-I650 HydrophobicContact CE1-CG2 4.45Å; Y574-Q653 HydrophobicContact CE2-CB 3.83Å; Y574-Q653 WeakPolarHBondContact OH-CB 3.35Å; Y574-Q653 PolarHBondContact OH-OE1 3.22Å; Y574-Q657 HydrophobicContact CD2-CG 3.91Å; Y574-Q657 VanDerWaalsContact CD2-NE2 3.33Å; Y574-Q657 HydrophobicContact CG-CG 3.85Å
575	F	85.2	Confident	81.8	Confident	1 Å²	1	19.3 Å²	19.3	0%	0.004	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-38.4	-173.9	-62.8	-82.3	0	0	0	112.6	F527 L529 Y530 L571 L572 I581 F584 S654	F527-F575 HydrophobicContact CE2-CE2 4.25Å; F527-F575 HydrophobicContact CE2-CZ 4.46Å; F527-F575 AromaticContact CZ-CE2 3.98Å; F527-F575 HydrophobicContact CZ-CE2 3.98Å; F527-F575 AromaticContact CZ-CZ 3.74Å; F527-F575 HydrophobicContact CZ-CZ 3.74Å; L529-F575 HydrophobicContact CD1-CD2 3.6Å; L529-F575 HydrophobicContact CD1-CE2 3.31Å; L529-F575 HydrophobicContact CD1-CG 4.32Å; L529-F575 HydrophobicContact CD1-CZ 3.84Å; Y530-F575 HydrophobicContact CE1-CE1 4.34Å; L571-F575 WeakPolarHBondContact O-CD2 3.44Å; L571-F575 WeakPolarHBondContact O-CE2 3.23Å; L572-F575 PolarHBondContact O-N 3.31Å; F575-I581 WeakPolarHBondContact O-CA 3.45Å; F575-F584 HydrophobicContact CB-CD1 4.5Å; F575-F584 HydrophobicContact CB-CE1 4.36Å; F575-F584 AromaticContact CD1-CD1 3.94Å; F575-F584 HydrophobicContact CD1-CD1 3.94Å; F575-F584 AromaticContact CD1-CD2 3.62Å; F575-F584 HydrophobicContact CD1-CD2 3.62Å; F575-F584 AromaticContact CD1-CE1 3.56Å; F575-F584 HydrophobicContact CD1-CE1 3.56Å; F575-F584 AromaticContact CD1-CE2 3.22Å; F575-F584 HydrophobicContact CD1-CE2 3.22Å; F575-F584 AromaticContact CD1-CG 3.95Å; F575-F584 HydrophobicContact CD1-CG 3.95Å; F575-F584 AromaticContact CD1-CZ 3.12Å; F575-F584 HydrophobicContact CD1-CZ 3.12Å; F575-F584 AromaticContact CE1-CD2 3.86Å; F575-F584 HydrophobicContact CE1-CD2 3.86Å; F575-F584 HydrophobicContact CE1-CE1 4.34Å; F575-F584 AromaticContact CE1-CE2 3.22Å; F575-F584 HydrophobicContact CE1-CE2 3.22Å; F575-F584 AromaticContact CE1-CZ 3.46Å; F575-F584 HydrophobicContact CE1-CZ 3.46Å; F575-F584 VanDerWaalsContact CE1-CZ 3.46Å; F575-F584 HydrophobicContact CG-CE1 4.41Å; F575-F584 HydrophobicContact CG-CZ 4.27Å; F575-S654 VanDerWaalsContact CZ-CB 3.47Å
576	C	86.9	Confident	81.9	Confident	17 Å²	17	24.1 Å²	24.1	12%	0.115	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	1.9	-177.2	-51.5	0	0	0	0	112.5	C541 Y544 L572 Y574	C541-C576 WeakPolarHBondContact CA-SG 3.49Å; C541-C576 HydrophobicContact CB-CB 3.52Å; C541-C576 WeakPolarHBondContact CB-SG 3.19Å; C541-C576 WeakPolarHBondContact SG-CA 3.47Å; C541-C576 WeakPolarHBondContact SG-CB 3.48Å; C541-C576 CovalentContact SG-SG 2.03Å; C541-C576 PolarHBondContact SG-SG 3.3Å; Y544-C576 HydrophobicContact CD1-CB 3.92Å; L572-C576 HydrophobicContact CB-CB 4.45Å; L572-C576 WeakPolarHBondContact O-CA 3.47Å; L572-C576 WeakPolarHBondContact O-CB 3.33Å; L572-C576 PolarHBondContact O-N 2.95Å; L572-C576 PolarHBondContact O-SG 2.99Å; Y574-C576 VanDerWaalsContact C-N 3.32Å; Y574-C576 PolarHBondContact O-N 3.46Å
577	S	77.2	Confident	82.3	Confident	6 Å²	6	25.2 Å²	25.2	4%	0.042	15%	0.145	C	C	.	.	S	Bend	trans	-64	132.3	171.4	170.4	0	0	0	0	110.1	W384 G573 Y574 Q579 H580 I581	W384-S577 WeakPolarHBondContact CZ3-OG 3.45Å; G573-S577 WeakPolarHBondContact O-CB 3.29Å; G573-S577 PolarHBondContact O-N 3.33Å; Y574-S577 WeakPolarHBondContact O-CB 3.04Å; Y574-S577 PolarHBondContact O-N 3.27Å; S577-Q579 PolarHBondContact O-N 3.3Å; S577-Q579 WeakPolarHBondContact OG-CB 3.07Å; S577-Q579 VanDerWaalsContact OG-CG 3.27Å; S577-Q579 WeakPolarHBondContact OG-CG 3.46Å; S577-Q579 PolarHBondContact OG-N 3.19Å; S577-Q579 VanDerWaalsContact OG-N 3.16Å; S577-H580 PolarHBondContact O-N 3.08Å; S577-I581 WeakPolarHBondContact O-CB 3.45Å; S577-I581 PolarHBondContact O-N 3.42Å
578	P	71	Confident	82.7	Confident	44 Å²	44	25.3 Å²	25.3	29%	0.286	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-24.7	171	-26.8	35.8	0	0	0	113	W384	W384-P578 HydrophobicContact CD2-CG 4.48Å; W384-P578 HydrophobicContact CH2-CG 3.87Å; W384-P578 HydrophobicContact CZ2-CG 3.65Å; W384-P578 HydrophobicContact CZ3-CG 4.34Å
579	Q	63	Low	82.9	Confident	31 Å²	31	29.3 Å²	29.3	15%	0.145	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-23.5	-179.5	-42.8	-161.3	-4.7	0	0	115.6	H346 R347 W384 S577	H346-Q579 PolarHBondContact CD2-NE2 3.03Å; H346-Q579 VanDerWaalsContact CE1-CA 3.48Å; H346-Q579 WeakPolarHBondContact CE1-CA 3.38Å; H346-Q579 VanDerWaalsContact CE1-CG 3.5Å; H346-Q579 WeakPolarHBondContact CE1-CG 3.38Å; H346-Q579 WeakPolarHBondContact NE2-CB 3.33Å; H346-Q579 WeakPolarHBondContact NE2-CG 3.05Å; H346-Q579 PolarHBondContact NE2-NE2 2.89Å; H346-Q579 PolarHBondContact NE2-OE1 3.37Å; R347-Q579 PolarHBondContact NH2-O 3.06Å; R347-Q579 VanDerWaalsContact NH2-O 3.11Å; W384-Q579 HydrophobicContact CE3-CG 4.26Å; W384-Q579 PolarHBondContact O-NE2 3.3Å; S577-Q579 PolarHBondContact O-N 3.3Å; S577-Q579 WeakPolarHBondContact OG-CB 3.07Å; S577-Q579 VanDerWaalsContact OG-CG 3.27Å; S577-Q579 WeakPolarHBondContact OG-CG 3.46Å; S577-Q579 PolarHBondContact OG-N 3.19Å; S577-Q579 VanDerWaalsContact OG-N 3.16Å
580	H	76.1	Confident	83.4	Confident	15 Å²	15	28.6 Å²	28.6	7%	0.069	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-24.2	-169.2	-62.4	-65.6	0	0	0	111.5	R347 Y574 S577 S582 S583 F584	R347-H580 PolarHBondContact NH2-ND1 2.79Å; Y574-H580 HydrophobicContact CD1-CB 4.39Å; Y574-H580 HydrophobicContact CD2-CB 4.41Å; Y574-H580 AromaticContact CD2-CD2 3.42Å; Y574-H580 VanDerWaalsContact CD2-CD2 3.42Å; Y574-H580 WeakPolarHBondContact CD2-CD2 3.35Å; Y574-H580 AromaticContact CD2-CG 3.77Å; Y574-H580 AromaticContact CD2-NE2 3.7Å; Y574-H580 HydrophobicContact CE1-CB 4.11Å; Y574-H580 HydrophobicContact CE2-CB 4.2Å; Y574-H580 AromaticContact CE2-CD2 3.42Å; Y574-H580 VanDerWaalsContact CE2-CD2 3.42Å; Y574-H580 WeakPolarHBondContact CE2-CD2 3.31Å; Y574-H580 AromaticContact CE2-CE1 3.4Å; Y574-H580 WeakPolarHBondContact CE2-CE1 3.4Å; Y574-H580 AromaticContact CE2-CG 3.41Å; Y574-H580 VanDerWaalsContact CE2-CG 3.41Å; Y574-H580 AromaticContact CE2-ND1 3.38Å; Y574-H580 WeakPolarHBondContact CE2-ND1 3.26Å; Y574-H580 AromaticContact CE2-NE2 3.43Å; Y574-H580 WeakPolarHBondContact CE2-NE2 3.26Å; Y574-H580 AromaticContact CZ-CE1 3.99Å; Y574-H580 AromaticContact CZ-CG 3.63Å; Y574-H580 AromaticContact CZ-ND1 3.52Å; Y574-H580 VanDerWaalsContact O-CB 3.29Å; Y574-H580 WeakPolarHBondContact O-CB 3.32Å; Y574-H580 PolarHBondContact OH-ND1 3.27Å; S577-H580 PolarHBondContact O-N 3.08Å; H580-S582 VanDerWaalsContact C-N 3.35Å; H580-S582 PolarHBondContact O-N 2.89Å; H580-S583 PolarHBondContact O-N 3.41Å; H580-F584 WeakPolarHBondContact O-CB 3.47Å; H580-F584 PolarHBondContact O-N 3.28Å
581	I	81.9	Confident	84	Confident	15 Å²	15	28.5 Å²	28.5	8%	0.077	16%	0.164	C	C	.	.	H	α-helix	trans	-53.7	-47	-172.9	-165.1	169.6	0	0	0	112.9	M538 C541 F575 S577 H585	M538-I581 HydrophobicContact CE-CD1 3.92Å; M538-I581 HydrophobicContact SD-CD1 4.1Å; M538-I581 HydrophobicContact SD-CG1 4.27Å; C541-I581 HydrophobicContact CB-CD1 4.33Å; F575-I581 WeakPolarHBondContact O-CA 3.45Å; S577-I581 WeakPolarHBondContact O-CB 3.45Å; S577-I581 PolarHBondContact O-N 3.42Å; I581-H585 WeakPolarHBondContact O-CB 3.26Å; I581-H585 PolarHBondContact O-N 2.95Å
582	S	79.5	Confident	84.3	Confident	73 Å²	73	28.6 Å²	28.6	51%	0.51	17%	0.166	S	C	.	.	H	α-helix	trans	-64.7	-53.3	178.7	-176.7	0	0	0	0	111.5	H580 F584 H585 D586	H580-S582 VanDerWaalsContact C-N 3.35Å; H580-S582 PolarHBondContact O-N 2.89Å; S582-F584 VanDerWaalsContact C-N 3.33Å; S582-F584 PolarHBondContact O-N 3.32Å; S582-H585 PolarHBondContact O-N 3.06Å; S582-D586 VanDerWaalsContact O-CG 3.29Å; S582-D586 PolarHBondContact O-N 3.42Å
583	S	81	Confident	84.5	Confident	32 Å²	32	33.6 Å²	33.6	22%	0.224	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-41.4	-179.4	-171.8	0	0	0	0	112.3	H580 H587 I650	H580-S583 PolarHBondContact O-N 3.41Å; S583-H587 PolarHBondContact O-N 3.5Å; S583-H587 PolarHBondContact O-ND1 3.19Å; S583-I650 WeakPolarHBondContact O-CD1 3.31Å; S583-I650 WeakPolarHBondContact OG-CD1 3.28Å
584	F	84.1	Confident	84.9	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-49.8	174.7	170.1	-104.6	0	0	0	110.8	Y530 I537 F575 H580 S582 D586 H587 Y588 I650	Y530-F584 HydrophobicContact CE1-CE2 4.36Å; I537-F584 HydrophobicContact CG2-CE1 4.07Å; F575-F584 HydrophobicContact CB-CD1 4.5Å; F575-F584 HydrophobicContact CB-CE1 4.36Å; F575-F584 AromaticContact CD1-CD1 3.94Å; F575-F584 HydrophobicContact CD1-CD1 3.94Å; F575-F584 AromaticContact CD1-CD2 3.62Å; F575-F584 HydrophobicContact CD1-CD2 3.62Å; F575-F584 AromaticContact CD1-CE1 3.56Å; F575-F584 HydrophobicContact CD1-CE1 3.56Å; F575-F584 AromaticContact CD1-CE2 3.22Å; F575-F584 HydrophobicContact CD1-CE2 3.22Å; F575-F584 AromaticContact CD1-CG 3.95Å; F575-F584 HydrophobicContact CD1-CG 3.95Å; F575-F584 AromaticContact CD1-CZ 3.12Å; F575-F584 HydrophobicContact CD1-CZ 3.12Å; F575-F584 AromaticContact CE1-CD2 3.86Å; F575-F584 HydrophobicContact CE1-CD2 3.86Å; F575-F584 HydrophobicContact CE1-CE1 4.34Å; F575-F584 AromaticContact CE1-CE2 3.22Å; F575-F584 HydrophobicContact CE1-CE2 3.22Å; F575-F584 AromaticContact CE1-CZ 3.46Å; F575-F584 HydrophobicContact CE1-CZ 3.46Å; F575-F584 VanDerWaalsContact CE1-CZ 3.46Å; F575-F584 HydrophobicContact CG-CE1 4.41Å; F575-F584 HydrophobicContact CG-CZ 4.27Å; H580-F584 WeakPolarHBondContact O-CB 3.47Å; H580-F584 PolarHBondContact O-N 3.28Å; S582-F584 VanDerWaalsContact C-N 3.33Å; S582-F584 PolarHBondContact O-N 3.32Å; F584-D586 VanDerWaalsContact C-N 3.28Å; F584-D586 PolarHBondContact O-N 3.3Å; F584-H587 CarbonylContact O-C 3.42Å; F584-H587 PolarHBondContact O-N 3.36Å; F584-Y588 AromaticContact CE1-CD2 3.67Å; F584-Y588 HydrophobicContact CE1-CD2 3.67Å; F584-Y588 HydrophobicContact CE1-CE2 4.18Å; F584-Y588 HydrophobicContact CE1-CG 4.1Å; F584-Y588 AromaticContact CE2-CD2 3.47Å; F584-Y588 HydrophobicContact CE2-CD2 3.47Å; F584-Y588 VanDerWaalsContact CE2-CD2 3.47Å; F584-Y588 HydrophobicContact CE2-CE2 4.13Å; F584-Y588 HydrophobicContact CE2-CG 4.36Å; F584-Y588 AromaticContact CZ-CD2 2.96Å; F584-Y588 HydrophobicContact CZ-CD2 2.96Å; F584-Y588 AromaticContact CZ-CE2 3.39Å; F584-Y588 HydrophobicContact CZ-CE2 3.39Å; F584-Y588 AromaticContact CZ-CG 3.83Å; F584-Y588 HydrophobicContact CZ-CG 3.83Å; F584-Y588 WeakPolarHBondContact O-CA 3.39Å; F584-Y588 VanDerWaalsContact O-CB 3.31Å; F584-Y588 WeakPolarHBondContact O-CB 3.44Å; F584-Y588 PolarHBondContact O-N 2.96Å; F584-I650 HydrophobicContact CB-CG2 4.27Å; F584-I650 HydrophobicContact CD2-CG2 3.77Å
585	H	86	Confident	85.3	Confident	63 Å²	63	33.3 Å²	33.3	29%	0.292	19%	0.188	S	C	.	.	H	α-helix	trans	-59.8	-37.3	-179.8	-176	-88.2	0	0	0	112.1	K534 I581 S582 H587	K534-H585 WeakPolarHBondContact CD-NE2 3.24Å; K534-H585 WeakPolarHBondContact CE-CD2 3.36Å; K534-H585 WeakPolarHBondContact CE-CE1 3.21Å; K534-H585 VanDerWaalsContact CE-CG 3.4Å; K534-H585 WeakPolarHBondContact CE-ND1 3.48Å; K534-H585 WeakPolarHBondContact CE-NE2 3.45Å; K534-H585 WeakPolarHBondContact CE-O 3.17Å; K534-H585 PolarHBondContact NZ-CE1 3.46Å; K534-H585 PolarHBondContact NZ-ND1 2.87Å; K534-H585 PolarHBondContact NZ-O 3.37Å; I581-H585 WeakPolarHBondContact O-CB 3.26Å; I581-H585 PolarHBondContact O-N 2.95Å; S582-H585 PolarHBondContact O-N 3.06Å; H585-H587 VanDerWaalsContact C-N 3.28Å; H585-H587 PolarHBondContact O-N 3.36Å
586	D	87.6	Confident	85.5	Confident	109 Å²	109	36.8 Å²	36.8	58%	0.583	20%	0.201	S	C	*	.	H	α-helix	trans	-64.7	-31.2	176.4	-69.8	-16.7	0	0	0	113.1	S582 F584	S582-D586 VanDerWaalsContact O-CG 3.29Å; S582-D586 PolarHBondContact O-N 3.42Å; F584-D586 VanDerWaalsContact C-N 3.28Å; F584-D586 PolarHBondContact O-N 3.3Å
587	H	91.1	Very high	85.7	Confident	32 Å²	32	41.1 Å²	41.1	15%	0.148	22%	0.223	C	C	.	.	H	α-helix	trans	-107	-7.3	-176.3	-60.6	89.4	0	0	0	113.7	S583 F584 H585 D589 C590 I591 T646 A647 I650	S583-H587 PolarHBondContact O-N 3.5Å; S583-H587 PolarHBondContact O-ND1 3.19Å; F584-H587 CarbonylContact O-C 3.42Å; F584-H587 PolarHBondContact O-N 3.36Å; H585-H587 VanDerWaalsContact C-N 3.28Å; H585-H587 PolarHBondContact O-N 3.36Å; H587-D589 PolarHBondContact O-N 3.13Å; H587-C590 PolarHBondContact O-N 3.2Å; H587-I591 HydrophobicContact CB-CD1 4.17Å; H587-I591 WeakPolarHBondContact O-CG1 3.47Å; H587-I591 PolarHBondContact O-N 3.25Å; H587-I591 VanDerWaalsContact O-N 3.11Å; H587-T646 WeakPolarHBondContact NE2-CB 3.44Å; H587-A647 HydrophobicContact CB-CB 3.8Å; H587-I650 HydrophobicContact CB-CD1 3.86Å; H587-I650 VanDerWaalsContact ND1-CD1 3.27Å; H587-I650 WeakPolarHBondContact ND1-CD1 3.27Å
588	Y	91.7	Very high	86.2	Confident	3 Å²	3	45.9 Å²	45.9	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-46.6	-172.4	178.8	-109.5	0	0	0	112.3	L529 Y530 Y532 K534 I537 F584 C590 I591 S592	L529-Y588 PolarHBondContact O-OH 3.36Å; Y530-Y588 HydrophobicContact CD1-CD2 4.49Å; Y530-Y588 HydrophobicContact CD1-CE2 4.04Å; Y532-Y588 PolarHBondContact O-OH 3.36Å; K534-Y588 HydrophobicContact CB-CD1 3.91Å; K534-Y588 HydrophobicContact CB-CE1 4.12Å; K534-Y588 HydrophobicContact CG-CD1 4.1Å; I537-Y588 HydrophobicContact CG1-CE1 4.49Å; I537-Y588 HydrophobicContact CG1-CE2 4.42Å; F584-Y588 AromaticContact CE1-CD2 3.67Å; F584-Y588 HydrophobicContact CE1-CD2 3.67Å; F584-Y588 HydrophobicContact CE1-CE2 4.18Å; F584-Y588 HydrophobicContact CE1-CG 4.1Å; F584-Y588 AromaticContact CE2-CD2 3.47Å; F584-Y588 HydrophobicContact CE2-CD2 3.47Å; F584-Y588 VanDerWaalsContact CE2-CD2 3.47Å; F584-Y588 HydrophobicContact CE2-CE2 4.13Å; F584-Y588 HydrophobicContact CE2-CG 4.36Å; F584-Y588 AromaticContact CZ-CD2 2.96Å; F584-Y588 HydrophobicContact CZ-CD2 2.96Å; F584-Y588 AromaticContact CZ-CE2 3.39Å; F584-Y588 HydrophobicContact CZ-CE2 3.39Å; F584-Y588 AromaticContact CZ-CG 3.83Å; F584-Y588 HydrophobicContact CZ-CG 3.83Å; F584-Y588 WeakPolarHBondContact O-CA 3.39Å; F584-Y588 VanDerWaalsContact O-CB 3.31Å; F584-Y588 WeakPolarHBondContact O-CB 3.44Å; F584-Y588 PolarHBondContact O-N 2.96Å; Y588-C590 PolarHBondContact O-N 3.49Å; Y588-I591 PolarHBondContact O-N 3.45Å; Y588-S592 WeakPolarHBondContact O-CB 3.34Å; Y588-S592 PolarHBondContact O-N 3Å
589	D	91.9	Very high	86.9	Confident	86 Å²	86	50.2 Å²	50.2	46%	0.46	26%	0.256	S	S	.	.	H	α-helix	trans	-60.3	-37.4	-175.9	-62	-38.4	0	0	0	110.9	K534 H587 L593	K534-D589 WeakPolarHBondContact CE-OD2 3.06Å; K534-D589 IonicContact NZ-OD2 2.76Å; K534-D589 PolarHBondContact NZ-OD2 3.48Å; H587-D589 PolarHBondContact O-N 3.13Å; D589-L593 WeakPolarHBondContact O-CB 3.14Å; D589-L593 PolarHBondContact O-N 3.31Å
590	C	93.7	Very high	88.2	Confident	38 Å²	38	52.4 Å²	52.4	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-68.5	-52.1	174.9	-168.4	0	0	0	0	112.1	H587 Y588 S592 L593 V594 S642 C643	H587-C590 PolarHBondContact O-N 3.2Å; Y588-C590 PolarHBondContact O-N 3.49Å; C590-S592 VanDerWaalsContact C-N 3.34Å; C590-S592 PolarHBondContact O-N 2.84Å; C590-L593 PolarHBondContact O-N 2.84Å; C590-V594 VanDerWaalsContact O-CG2 3.26Å; C590-V594 WeakPolarHBondContact O-CG2 3.49Å; C590-V594 PolarHBondContact O-N 3.34Å; C590-S642 PolarHBondContact SG-O 3.38Å; C590-C643 HydrophobicContact CB-CB 4.07Å; C590-C643 WeakPolarHBondContact CB-SG 3.2Å; C590-C643 PolarHBondContact O-SG 3Å; C590-C643 WeakPolarHBondContact SG-CA 3.44Å; C590-C643 WeakPolarHBondContact SG-CB 3.41Å; C590-C643 CovalentContact SG-SG 2.04Å; C590-C643 PolarHBondContact SG-SG 3.33Å
591	I	93.6	Very high	89	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60	-47.9	-178.3	-62.3	165.5	0	0	0	109.9	Y530 H587 Y588 V594 V595 A647 I650 F651	Y530-I591 HydrophobicContact CD1-CG2 3.86Å; Y530-I591 HydrophobicContact CE1-CG2 3.65Å; H587-I591 HydrophobicContact CB-CD1 4.17Å; H587-I591 WeakPolarHBondContact O-CG1 3.47Å; H587-I591 PolarHBondContact O-N 3.25Å; H587-I591 VanDerWaalsContact O-N 3.11Å; Y588-I591 PolarHBondContact O-N 3.45Å; I591-V594 PolarHBondContact O-N 3.44Å; I591-V595 HydrophobicContact CG2-CG2 4.12Å; I591-V595 WeakPolarHBondContact O-CB 3.3Å; I591-V595 VanDerWaalsContact O-CG2 3.23Å; I591-V595 WeakPolarHBondContact O-CG2 3.33Å; I591-V595 PolarHBondContact O-N 3.33Å; I591-A647 HydrophobicContact CD1-CB 4.14Å; I591-A647 WeakPolarHBondContact CD1-O 3.04Å; I591-A647 HydrophobicContact CG1-CB 3.97Å; I591-I650 HydrophobicContact CD1-CB 4.35Å; I591-I650 HydrophobicContact CD1-CG2 4.1Å; I591-F651 HydrophobicContact CD1-CB 4.2Å; I591-F651 HydrophobicContact CG2-CB 4.28Å; I591-F651 HydrophobicContact CG2-CD2 3.57Å; I591-F651 HydrophobicContact CG2-CE2 4.22Å; I591-F651 HydrophobicContact CG2-CG 4.17Å
592	S	93.1	Very high	89.2	Confident	7 Å²	7	51.7 Å²	51.7	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-47.9	179.6	179.8	0	0	0	0	111.7	Y530 Y588 C590 V594 V595 R596	Y530-S592 PolarHBondContact O-OG 2.95Å; Y588-S592 WeakPolarHBondContact O-CB 3.34Å; Y588-S592 PolarHBondContact O-N 3Å; C590-S592 VanDerWaalsContact C-N 3.34Å; C590-S592 PolarHBondContact O-N 2.84Å; S592-V594 PolarHBondContact O-N 2.96Å; S592-V595 PolarHBondContact O-N 3.47Å; S592-R596 WeakPolarHBondContact O-CB 3.36Å; S592-R596 VanDerWaalsContact O-CG 3.24Å; S592-R596 WeakPolarHBondContact O-CG 3.21Å; S592-R596 PolarHBondContact O-N 3.26Å; S592-R596 PolarHBondContact OG-NE 3.19Å; S592-R596 VanDerWaalsContact OG-NE 3.15Å; S592-R596 PolarHBondContact OG-NH2 3.35Å; S592-R596 VanDerWaalsContact OG-NH2 3.11Å
593	L	92.5	Very high	89.6	Confident	107 Å²	107	54.4 Å²	54.4	56%	0.56	27%	0.274	S	S	*	.	H	α-helix	trans	-60.1	-45.8	178	-178.2	66.1	0	0	0	111.7	D589 C590 N597	D589-L593 WeakPolarHBondContact O-CB 3.14Å; D589-L593 PolarHBondContact O-N 3.31Å; C590-L593 PolarHBondContact O-N 2.84Å; L593-N597 WeakPolarHBondContact O-CB 3.48Å; L593-N597 PolarHBondContact O-N 3.07Å; L593-N597 VanDerWaalsContact O-N 3.08Å; L593-N597 PolarHBondContact O-ND2 3.08Å; L593-N597 VanDerWaalsContact O-ND2 3.16Å
594	V	92.7	Very high	89.9	Confident	14 Å²	14	56 Å²	56	9%	0.085	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-45.9	-179.5	173	0	0	0	0	111.6	C590 I591 S592 N597 R598 A638 V639	C590-V594 VanDerWaalsContact O-CG2 3.26Å; C590-V594 WeakPolarHBondContact O-CG2 3.49Å; C590-V594 PolarHBondContact O-N 3.34Å; I591-V594 PolarHBondContact O-N 3.44Å; S592-V594 PolarHBondContact O-N 2.96Å; V594-N597 PolarHBondContact O-N 3.3Å; V594-R598 VanDerWaalsContact O-CG 3.27Å; V594-R598 WeakPolarHBondContact O-CG 3.37Å; V594-R598 PolarHBondContact O-N 3.13Å; V594-A638 VanDerWaalsContact CG1-C 3.5Å; V594-A638 HydrophobicContact CG1-CB 3.55Å; V594-V639 HydrophobicContact CB-CG2 4.46Å; V594-V639 HydrophobicContact CG1-CG2 3.88Å
595	V	92	Very high	89.8	Confident	1 Å²	1	56 Å²	56	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-46.6	179.6	168.3	0	0	0	0	110.4	Y530 I591 S592 N597 R598 F631 F651	Y530-V595 HydrophobicContact CD2-CG1 4.12Å; Y530-V595 HydrophobicContact CD2-CG2 4.42Å; Y530-V595 HydrophobicContact CG-CG1 4.29Å; I591-V595 HydrophobicContact CG2-CG2 4.12Å; I591-V595 WeakPolarHBondContact O-CB 3.3Å; I591-V595 VanDerWaalsContact O-CG2 3.23Å; I591-V595 WeakPolarHBondContact O-CG2 3.33Å; I591-V595 PolarHBondContact O-N 3.33Å; S592-V595 PolarHBondContact O-N 3.47Å; V595-N597 VanDerWaalsContact C-N 3.3Å; V595-N597 PolarHBondContact O-N 2.93Å; V595-R598 WeakPolarHBondContact O-CB 3.24Å; V595-R598 PolarHBondContact O-N 3.29Å; V595-F631 HydrophobicContact CG1-CE2 4.27Å; V595-F631 HydrophobicContact CG1-CZ 3.72Å; V595-F651 HydrophobicContact CG2-CE2 3.84Å; V595-F651 HydrophobicContact CG2-CZ 4.14Å
596	R	89.2	Confident	89.4	Confident	73 Å²	73	56.3 Å²	56.3	28%	0.275	28%	0.28	S	S	.	.	H	α-helix	trans	-62.2	-36	178	-73.7	180	-163.6	-175.2	8.1	113.3	Y530 H531 Y532 S592 R598 H599	Y530-R596 PolarHBondContact O-NE 3.15Å; Y530-R596 PolarHBondContact O-NH2 3.1Å; Y530-R596 VanDerWaalsContact O-NH2 3.11Å; H531-R596 PolarHBondContact O-NH2 3.2Å; H531-R596 VanDerWaalsContact O-NH2 3.07Å; Y532-R596 PolarHBondContact O-NH2 2.95Å; S592-R596 WeakPolarHBondContact O-CB 3.36Å; S592-R596 VanDerWaalsContact O-CG 3.24Å; S592-R596 WeakPolarHBondContact O-CG 3.21Å; S592-R596 PolarHBondContact O-N 3.26Å; S592-R596 PolarHBondContact OG-NE 3.19Å; S592-R596 VanDerWaalsContact OG-NE 3.15Å; S592-R596 PolarHBondContact OG-NH2 3.35Å; S592-R596 VanDerWaalsContact OG-NH2 3.11Å; R596-R598 PolarHBondContact O-N 3.11Å; R596-H599 PolarHBondContact O-CE1 3.33Å; R596-H599 PolarHBondContact O-ND1 3.4Å; R596-H599 VanDerWaalsContact O-ND1 3.16Å
597	N	90.1	Very high	88.4	Confident	108 Å²	108	52.1 Å²	52.1	58%	0.578	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.8	177.3	-70.7	-20.9	0	0	0	112.9	L593 V594 V595	L593-N597 WeakPolarHBondContact O-CB 3.48Å; L593-N597 PolarHBondContact O-N 3.07Å; L593-N597 VanDerWaalsContact O-N 3.08Å; L593-N597 PolarHBondContact O-ND2 3.08Å; L593-N597 VanDerWaalsContact O-ND2 3.16Å; V594-N597 PolarHBondContact O-N 3.3Å; V595-N597 VanDerWaalsContact C-N 3.3Å; V595-N597 PolarHBondContact O-N 2.93Å
598	R	88.4	Confident	86.8	Confident	107 Å²	107	53.3 Å²	53.3	40%	0.404	28%	0.277	S	S	.	.			trans	-107.1	55.2	179.5	-69.3	-68.6	-177	176.6	1.3	111.9	V594 V595 R596 S600 C601 A638	V594-R598 VanDerWaalsContact O-CG 3.27Å; V594-R598 WeakPolarHBondContact O-CG 3.37Å; V594-R598 PolarHBondContact O-N 3.13Å; V595-R598 WeakPolarHBondContact O-CB 3.24Å; V595-R598 PolarHBondContact O-N 3.29Å; R596-R598 PolarHBondContact O-N 3.11Å; R598-S600 PolarHBondContact O-N 3.01Å; R598-C601 HydrophobicContact CB-CB 4.44Å; R598-C601 WeakPolarHBondContact O-CB 3.47Å; R598-C601 PolarHBondContact O-N 3.49Å; R598-A638 HydrophobicContact CG-CB 4.01Å; R598-A638 VanDerWaalsContact NE-CB 3.26Å
599	H	86.8	Confident	85.2	Confident	135 Å²	135	53.7 Å²	53.7	63%	0.625	28%	0.281	S	S	*	.	H	α-helix	trans	-49.3	-29.2	177.4	-57.9	-53.8	0	0	0	114.8	R596 C601 D602	R596-H599 PolarHBondContact O-CE1 3.33Å; R596-H599 PolarHBondContact O-ND1 3.4Å; R596-H599 VanDerWaalsContact O-ND1 3.16Å; H599-C601 PolarHBondContact O-N 2.03Å; H599-D602 WeakPolarHBondContact CA-OD2 3.45Å; H599-D602 IonicContact ND1-OD2 3.36Å; H599-D602 WeakPolarHBondContact O-CB 3.4Å; H599-D602 PolarHBondContact O-N 3.45Å
600	S	90.4	Very high	83.6	Confident	76 Å²	76	49.8 Å²	49.8	53%	0.531	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-23.3	175.5	57.7	0	0	0	0	114.2	R598 K603	R598-S600 PolarHBondContact O-N 3.01Å; S600-K603 WeakPolarHBondContact O-CE 3.14Å; S600-K603 WeakPolarHBondContact O-CG 3.12Å
601	C	91.1	Very high	81.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	25%	0.251	C	S	.	.	H	α-helix	trans	-87.6	-21.2	178.8	-55.7	0	0	0	0	112.3	R598 H599 K603 Y604 F631 C634	R598-C601 HydrophobicContact CB-CB 4.44Å; R598-C601 WeakPolarHBondContact O-CB 3.47Å; R598-C601 PolarHBondContact O-N 3.49Å; H599-C601 PolarHBondContact O-N 2.03Å; C601-K603 PolarHBondContact O-N 3.21Å; C601-K603 VanDerWaalsContact O-N 3.16Å; C601-Y604 WeakPolarHBondContact O-CB 3.3Å; C601-Y604 WeakPolarHBondContact O-CD2 3.48Å; C601-Y604 PolarHBondContact O-N 3.32Å; C601-F631 HydrophobicContact CB-CD2 4.15Å; C601-F631 HydrophobicContact CB-CE2 4.28Å; C601-C634 WeakPolarHBondContact CA-SG 3.48Å; C601-C634 HydrophobicContact CB-CB 3.76Å; C601-C634 WeakPolarHBondContact CB-SG 3.3Å; C601-C634 WeakPolarHBondContact SG-CB 3.27Å; C601-C634 CovalentContact SG-SG 2.04Å; C601-C634 PolarHBondContact SG-SG 3.35Å
602	D	87.3	Confident	80	Confident	15 Å²	15	54.3 Å²	54.3	8%	0.08	28%	0.277	C	S	.	.	H	α-helix	trans	-57.4	-34	-177.9	-64.1	-8.7	0	0	0	111.7	F525 H599 Y604 I605 L606	F525-D602 HydrophobicContact CE1-CB 4.18Å; F525-D602 HydrophobicContact CZ-CB 4.34Å; H599-D602 WeakPolarHBondContact CA-OD2 3.45Å; H599-D602 IonicContact ND1-OD2 3.36Å; H599-D602 WeakPolarHBondContact O-CB 3.4Å; H599-D602 PolarHBondContact O-N 3.45Å; D602-Y604 PolarHBondContact O-N 3.12Å; D602-I605 CarbonylContact O-C 3.46Å; D602-I605 WeakPolarHBondContact O-CG1 3.48Å; D602-I605 PolarHBondContact O-N 3.13Å; D602-L606 WeakPolarHBondContact O-CG 3.28Å; D602-L606 PolarHBondContact O-N 3.2Å
603	K	87.6	Confident	78	Confident	129 Å²	129	54.5 Å²	54.5	56%	0.561	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-21.4	176	73.2	-174.2	179.6	-177.9	0	115	S600 C601	S600-K603 WeakPolarHBondContact O-CE 3.14Å; S600-K603 WeakPolarHBondContact O-CG 3.12Å; C601-K603 PolarHBondContact O-N 3.21Å; C601-K603 VanDerWaalsContact O-N 3.16Å
604	Y	86.6	Confident	76.1	Confident	65 Å²	65	51.1 Å²	51.1	26%	0.255	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-18.8	177.2	-58.9	-60.5	0	0	0	113	C601 D602 R627 K630 C634	C601-Y604 WeakPolarHBondContact O-CB 3.3Å; C601-Y604 WeakPolarHBondContact O-CD2 3.48Å; C601-Y604 PolarHBondContact O-N 3.32Å; D602-Y604 PolarHBondContact O-N 3.12Å; Y604-R627 WeakPolarHBondContact O-CB 3.36Å; Y604-K630 HydrophobicContact CD1-CB 3.62Å; Y604-K630 HydrophobicContact CD1-CD 4.01Å; Y604-K630 HydrophobicContact CD1-CG 4.42Å; Y604-K630 HydrophobicContact CD2-CB 4.24Å; Y604-K630 HydrophobicContact CE1-CB 3.84Å; Y604-K630 HydrophobicContact CE1-CD 3.86Å; Y604-K630 HydrophobicContact CE1-CG 4.34Å; Y604-K630 HydrophobicContact CE2-CB 4.45Å; Y604-K630 HydrophobicContact CG-CB 3.83Å; Y604-C634 HydrophobicContact CD2-CB 4.2Å; Y604-C634 HydrophobicContact CE2-CB 4.01Å
605	I	83	Confident	73.8	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.036	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-2.3	175.9	57.7	171.2	0	0	0	112.8	F525 S526 D602 F631	F525-I605 HydrophobicContact CD1-CD1 3.72Å; F525-I605 HydrophobicContact CD1-CG1 4.04Å; F525-I605 HydrophobicContact CE1-CD1 3.87Å; F525-I605 HydrophobicContact CE1-CG1 4.22Å; S526-I605 PolarHBondContact N-O 3.11Å; D602-I605 CarbonylContact O-C 3.46Å; D602-I605 WeakPolarHBondContact O-CG1 3.48Å; D602-I605 PolarHBondContact O-N 3.13Å; I605-F631 HydrophobicContact CB-CD2 4.47Å; I605-F631 HydrophobicContact CD1-CD2 4.2Å; I605-F631 HydrophobicContact CD1-CE2 3.67Å; I605-F631 HydrophobicContact CD1-CZ 4.07Å; I605-F631 HydrophobicContact CG1-CD2 4.19Å; I605-F631 HydrophobicContact CG1-CE2 4.16Å; I605-F631 HydrophobicContact CG2-CB 3.85Å; I605-F631 HydrophobicContact CG2-CD1 3.93Å; I605-F631 HydrophobicContact CG2-CD2 3.53Å; I605-F631 HydrophobicContact CG2-CE1 4.36Å; I605-F631 HydrophobicContact CG2-CE2 4Å; I605-F631 HydrophobicContact CG2-CG 3.47Å; I605-F631 VanDerWaalsContact CG2-CG 3.47Å; I605-F631 HydrophobicContact CG2-CZ 4.38Å
606	L	77.4	Confident	71.3	Confident	70 Å²	70	63.8 Å²	63.8	37%	0.366	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-72.7	134.4	166.2	-69.1	176.5	0	0	0	110.5	N524 F525 D602 R627	N524-L606 HydrophobicContact CB-CD2 4.06Å; N524-L606 CarbonylContact O-C 3.29Å; N524-L606 VanDerWaalsContact O-CA 3.29Å; N524-L606 WeakPolarHBondContact O-CA 3.4Å; F525-L606 HydrophobicContact CD2-CD2 3.89Å; F525-L606 HydrophobicContact CE1-CD2 4.42Å; F525-L606 HydrophobicContact CE2-CD2 3.73Å; F525-L606 HydrophobicContact CG-CD2 4.31Å; F525-L606 HydrophobicContact CZ-CD2 4.02Å; D602-L606 WeakPolarHBondContact O-CG 3.28Å; D602-L606 PolarHBondContact O-N 3.2Å; L606-R627 PolarHBondContact O-NH1 3.06Å
607	G	67.1	Low	68.7	Low	21 Å²	21	63 Å²	63	22%	0.216	34%	0.338	C	S	.	.	S	Bend	trans	170.4	-177.5	-179.1	0	0	0	0	0	111.9	N524 P609	N524-G607 CarbonylContact C-O 3.59Å; N524-G607 PolarHBondContact O-N 3.3Å; G607-P609 WeakPolarHBondContact O-CD 3.08Å; G607-P609 VanDerWaalsContact O-N 3.14Å
608	A	57.8	Low	66.3	Low	56 Å²	56	64.5 Å²	64.5	46%	0.463	34%	0.342	S	S	.	.	S	Bend	trans	-52.5	123.8	171.1	0	0	0	0	0	108.1	S526 L610	S526-A608 PolarHBondContact OG-O 3.12Å; S526-A608 VanDerWaalsContact OG-O 3.1Å; A608-L610 PolarHBondContact O-N 3.45Å
609	P	56.5	Low	64.1	Low	12 Å²	12	66.7 Å²	66.7	8%	0.078	36%	0.362	C	S	.	.			trans	-58.5	138.3	178.7	21.7	-32.3	0	0	0	109	E523 G607 I611 E612	E523-P609 VanDerWaalsContact O-CB 3.29Å; E523-P609 WeakPolarHBondContact O-CB 3.29Å; E523-P609 WeakPolarHBondContact O-CD 3.36Å; E523-P609 WeakPolarHBondContact O-CG 3.47Å; G607-P609 WeakPolarHBondContact O-CD 3.08Å; G607-P609 VanDerWaalsContact O-N 3.14Å; P609-I611 HydrophobicContact CB-CB 4.44Å; P609-I611 PolarHBondContact O-N 3.13Å; P609-E612 WeakPolarHBondContact CD-OE2 3.46Å; P609-E612 HydrophobicContact CG-CB 3.92Å; P609-E612 VanDerWaalsContact CG-CD 3.42Å; P609-E612 HydrophobicContact CG-CG 3.57Å; P609-E612 PolarHBondContact O-N 3.19Å
610	L	59.3	Low	62.3	Low	4 Å²	4	60.9 Å²	60.9	2%	0.021	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-18.7	170.4	-81.5	171.1	0	0	0	112.2	S526 H563 V567 L571 A608 I623 F658	S526-L610 WeakPolarHBondContact O-CD1 3.41Å; S526-L610 WeakPolarHBondContact O-CG 3.35Å; H563-L610 PolarHBondContact CE1-O 2.97Å; V567-L610 HydrophobicContact CG1-CB 4.2Å; V567-L610 HydrophobicContact CG2-CB 4.38Å; V567-L610 HydrophobicContact CG2-CD2 4.2Å; L571-L610 HydrophobicContact CD2-CD1 4.15Å; L571-L610 HydrophobicContact CG-CD1 4.39Å; A608-L610 PolarHBondContact O-N 3.45Å; L610-I623 HydrophobicContact CD1-CD1 3.85Å; L610-I623 HydrophobicContact CD1-CG1 4Å; L610-I623 HydrophobicContact CD2-CG1 4.2Å; L610-I623 HydrophobicContact CG-CD1 4.47Å; L610-I623 HydrophobicContact CG-CG1 4.17Å; L610-F658 HydrophobicContact CD1-CE1 4.22Å
611	I	58.8	Low	60.6	Low	14 Å²	14	64.6 Å²	64.6	7%	0.072	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-26.2	-175.4	-62.2	-177.2	0	0	0	112.8	L513 I514 H517 P609 G613 L614	L513-I611 HydrophobicContact CB-CD1 4.48Å; L513-I611 HydrophobicContact CD2-CD1 3.47Å; L513-I611 VanDerWaalsContact CD2-CD1 3.47Å; L513-I611 HydrophobicContact CD2-CG1 4.09Å; L513-I611 HydrophobicContact CG-CD1 3.59Å; I514-I611 HydrophobicContact CD1-CG2 4.26Å; I514-I611 HydrophobicContact CG1-CG2 3.63Å; H517-I611 WeakPolarHBondContact CE1-CD1 2.98Å; H517-I611 VanDerWaalsContact ND1-CD1 3.28Å; H517-I611 WeakPolarHBondContact ND1-CD1 3.49Å; P609-I611 HydrophobicContact CB-CB 4.44Å; P609-I611 PolarHBondContact O-N 3.13Å; I611-G613 PolarHBondContact O-N 3.23Å; I611-L614 HydrophobicContact CB-CD1 4.02Å; I611-L614 HydrophobicContact CG1-CD1 4.07Å; I611-L614 HydrophobicContact CG2-CD1 3.87Å; I611-L614 WeakPolarHBondContact O-CB 3.2Å; I611-L614 WeakPolarHBondContact O-CG 3.49Å; I611-L614 PolarHBondContact O-N 2.81Å
612	E	52.4	Low	59.3	Low	118 Å²	118	69.4 Å²	69.4	55%	0.551	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-63.1	-34.1	179.4	-95.1	168.9	-174.2	0	0	111.6	P609 L614 I615	P609-E612 WeakPolarHBondContact CD-OE2 3.46Å; P609-E612 HydrophobicContact CG-CB 3.92Å; P609-E612 VanDerWaalsContact CG-CD 3.42Å; P609-E612 HydrophobicContact CG-CG 3.57Å; P609-E612 PolarHBondContact O-N 3.19Å; E612-L614 PolarHBondContact O-N 3.26Å; E612-L614 VanDerWaalsContact O-N 3.12Å; E612-I615 PolarHBondContact O-N 3.45Å
613	G	51	Low	58.4	Low	11 Å²	11	69.7 Å²	69.7	11%	0.113	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-67.4	-6.8	172.8	0	0	0	0	0	115.1	I611	I611-G613 PolarHBondContact O-N 3.23Å
614	L	52	Low	57.8	Low	36 Å²	36	66.8 Å²	66.8	19%	0.188	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-82.7	-22.5	177.3	-60.5	167.1	0	0	0	112.7	F510 V564 I611 E612	F510-L614 HydrophobicContact CD1-CD1 3.19Å; F510-L614 HydrophobicContact CD1-CD2 4.37Å; F510-L614 HydrophobicContact CD1-CG 4.41Å; F510-L614 HydrophobicContact CE1-CD1 3.31Å; F510-L614 HydrophobicContact CE1-CD2 3.96Å; F510-L614 HydrophobicContact CE1-CG 4.3Å; F510-L614 HydrophobicContact CG-CD1 3.98Å; F510-L614 HydrophobicContact CZ-CD1 4.19Å; F510-L614 HydrophobicContact CZ-CD2 4.04Å; V564-L614 HydrophobicContact CB-CD2 4.04Å; V564-L614 HydrophobicContact CG1-CD2 4.04Å; V564-L614 HydrophobicContact CG2-CD2 3.69Å; I611-L614 HydrophobicContact CB-CD1 4.02Å; I611-L614 HydrophobicContact CG1-CD1 4.07Å; I611-L614 HydrophobicContact CG2-CD1 3.87Å; I611-L614 WeakPolarHBondContact O-CB 3.2Å; I611-L614 WeakPolarHBondContact O-CG 3.49Å; I611-L614 PolarHBondContact O-N 2.81Å; E612-L614 PolarHBondContact O-N 3.26Å; E612-L614 VanDerWaalsContact O-N 3.12Å
615	I	44.6	Very low	57.6	Low	128 Å²	128	66.3 Å²	66.3	66%	0.656	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-35.8	-172.5	-56.6	177.1	0	0	0	111.1	E612	E612-I615 PolarHBondContact O-N 3.45Å
616	E	39.2	Very low	57.7	Low	153 Å²	153	67.7 Å²	67.7	72%	0.715	38%	0.384	S	S	*	.	S	Bend	trans	-108.1	-0.6	-170	-61.8	-169.3	163.6	0	0	114.4	E618	E616-E618 PolarHBondContact O-N 3.26Å; E616-E618 VanDerWaalsContact O-N 3.13Å
617	G	35.9	Very low	58.1	Low	57 Å²	57	70 Å²	70	59%	0.588	39%	0.388	S	S	*	.			trans	67	8.4	-179.3	0	0	0	0	0	114.2
618	E	38.7	Very low	59.1	Low	140 Å²	140	69 Å²	69	65%	0.654	38%	0.378	S	S	*	.	S	Bend	trans	-72.2	144.5	166.1	-70.2	-164	152.5	0	0	110.1	E616 G620	E616-E618 PolarHBondContact O-N 3.26Å; E616-E618 VanDerWaalsContact O-N 3.13Å; E618-G620 VanDerWaalsContact C-N 3.3Å; E618-G620 PolarHBondContact O-N 3.17Å
619	D	42.9	Very low	60.6	Low	153 Å²	153	70.2 Å²	70.2	82%	0.818	37%	0.373	S	S	*	.			trans	-58.9	93.2	173.3	-72	-36.8	0	0	0	109.1	Q621	D619-Q621 PolarHBondContact O-N 3.43Å
620	G	48.6	Very low	62.3	Low	12 Å²	12	75.6 Å²	75.6	12%	0.124	40%	0.396	C	S	.	.			trans	-53.1	135.9	176.5	0	0	0	0	0	109.8	H563 E618 R622	H563-G620 VanDerWaalsContact NE2-CA 3.26Å; H563-G620 WeakPolarHBondContact NE2-CA 3.4Å; H563-G620 PolarHBondContact NE2-O 2.76Å; E618-G620 VanDerWaalsContact C-N 3.3Å; E618-G620 PolarHBondContact O-N 3.17Å; G620-R622 PolarHBondContact O-N 2.94Å
621	Q	54.1	Low	63.8	Low	155 Å²	155	75.4 Å²	75.4	72%	0.724	40%	0.395	S	S	*	.			trans	-63.7	112.8	-177.4	-83.3	-176.6	-3.9	0	0	109.6	D619 I623	D619-Q621 PolarHBondContact O-N 3.43Å; Q621-I623 PolarHBondContact O-N 3.17Å
622	R	64.3	Low	65.4	Low	101 Å²	101	74.9 Å²	74.9	38%	0.381	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-51.8	139.1	166.1	-60.3	-170.2	178.7	-177.2	-0.6	108.8	Y566 G620 S624	Y566-R622 HydrophobicContact CE1-CB 4.35Å; Y566-R622 HydrophobicContact CE1-CG 3.72Å; G620-R622 PolarHBondContact O-N 2.94Å; R622-S624 PolarHBondContact O-N 3.5Å; R622-S624 VanDerWaalsContact O-N 3.11Å
623	I	68.4	Low	67.4	Low	21 Å²	21	72.4 Å²	72.4	11%	0.108	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-57.2	122.3	176.9	-59.7	-175.7	0	0	0	108.9	S526 F527 L610 Q621 C625 L628 F658	S526-I623 WeakPolarHBondContact O-CD1 3.07Å; F527-I623 HydrophobicContact CB-CD1 3.85Å; L610-I623 HydrophobicContact CD1-CD1 3.85Å; L610-I623 HydrophobicContact CD1-CG1 4Å; L610-I623 HydrophobicContact CD2-CG1 4.2Å; L610-I623 HydrophobicContact CG-CD1 4.47Å; L610-I623 HydrophobicContact CG-CG1 4.17Å; Q621-I623 PolarHBondContact O-N 3.17Å; I623-C625 PolarHBondContact O-N 2.9Å; I623-L628 HydrophobicContact CG2-CB 4.33Å; I623-L628 HydrophobicContact CG2-CD1 4.45Å; I623-F658 HydrophobicContact CB-CD1 4.4Å; I623-F658 HydrophobicContact CD1-CD1 3.76Å; I623-F658 HydrophobicContact CD1-CE1 3.65Å; I623-F658 HydrophobicContact CD1-CZ 4.33Å; I623-F658 HydrophobicContact CG1-CD1 4.27Å; I623-F658 HydrophobicContact CG1-CE1 4.46Å
624	S	74.7	Confident	69.4	Low	68 Å²	68	73.9 Å²	73.9	48%	0.476	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-60.9	122.9	175.9	174.6	0	0	0	0	110.3	R622 G626 R627 L628	R622-S624 PolarHBondContact O-N 3.5Å; R622-S624 VanDerWaalsContact O-N 3.11Å; S624-G626 PolarHBondContact O-N 2.88Å; S624-G626 VanDerWaalsContact O-N 3.11Å; S624-G626 PolarHBondContact OG-N 3.42Å; S624-R627 WeakPolarHBondContact O-CA 3.26Å; S624-R627 WeakPolarHBondContact O-CB 3.48Å; S624-R627 PolarHBondContact O-N 3.5Å; S624-L628 PolarHBondContact O-N 3.47Å; S624-L628 VanDerWaalsContact O-N 3.12Å
625	C	83.1	Confident	71.4	Confident	55 Å²	55	72.2 Å²	72.2	37%	0.372	39%	0.387	S	S	.	.	H	α-helix	trans	-56.2	-30.9	177.1	-70.1	0	0	0	0	113.4	I623 R627 L628 Q629 C660	I623-C625 PolarHBondContact O-N 2.9Å; C625-R627 VanDerWaalsContact C-N 3.31Å; C625-R627 PolarHBondContact O-N 3.49Å; C625-L628 PolarHBondContact O-N 3.38Å; C625-Q629 VanDerWaalsContact O-CB 3.31Å; C625-Q629 WeakPolarHBondContact O-CB 3.43Å; C625-Q629 PolarHBondContact O-N 2.98Å; C625-C660 WeakPolarHBondContact CA-SG 3.06Å; C625-C660 HydrophobicContact CB-CB 3.63Å; C625-C660 WeakPolarHBondContact CB-SG 3.27Å; C625-C660 WeakPolarHBondContact SG-CA 3.42Å; C625-C660 WeakPolarHBondContact SG-CB 3.07Å; C625-C660 CovalentContact SG-SG 2.04Å; C625-C660 PolarHBondContact SG-SG 3.21Å
626	G	84.7	Confident	73.7	Confident	36 Å²	36	67.9 Å²	67.9	37%	0.371	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-32.9	174.6	0	0	0	0	0	113.2	S624 K630	S624-G626 PolarHBondContact O-N 2.88Å; S624-G626 VanDerWaalsContact O-N 3.11Å; S624-G626 PolarHBondContact OG-N 3.42Å; G626-K630 WeakPolarHBondContact O-CD 3.2Å; G626-K630 VanDerWaalsContact O-CG 3.25Å; G626-K630 WeakPolarHBondContact O-CG 3.3Å; G626-K630 PolarHBondContact O-N 3.39Å
627	R	86.7	Confident	76.2	Confident	119 Å²	119	65.3 Å²	65.3	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-71.8	-45.3	173	-75.7	-169.2	-174.1	-167.1	5.2	111	Y604 L606 S624 C625 Q629 K630 F631	Y604-R627 WeakPolarHBondContact O-CB 3.36Å; L606-R627 PolarHBondContact O-NH1 3.06Å; S624-R627 WeakPolarHBondContact O-CA 3.26Å; S624-R627 WeakPolarHBondContact O-CB 3.48Å; S624-R627 PolarHBondContact O-N 3.5Å; C625-R627 VanDerWaalsContact C-N 3.31Å; C625-R627 PolarHBondContact O-N 3.49Å; R627-Q629 PolarHBondContact O-N 3.26Å; R627-K630 PolarHBondContact O-N 3.15Å; R627-F631 PolarHBondContact O-N 3.05Å
628	L	87.3	Confident	78.9	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-40.1	179.9	-160.8	64.2	0	0	0	112.6	I623 S624 C625 F631 Y632 L655 F658 C660	I623-L628 HydrophobicContact CG2-CB 4.33Å; I623-L628 HydrophobicContact CG2-CD1 4.45Å; S624-L628 PolarHBondContact O-N 3.47Å; S624-L628 VanDerWaalsContact O-N 3.12Å; C625-L628 PolarHBondContact O-N 3.38Å; L628-F631 WeakPolarHBondContact O-CB 2.99Å; L628-F631 PolarHBondContact O-N 2.7Å; L628-Y632 WeakPolarHBondContact O-CB 3.2Å; L628-Y632 PolarHBondContact O-N 3.23Å; L628-L655 HydrophobicContact CD1-CD2 3.84Å; L628-L655 HydrophobicContact CD2-CB 4.35Å; L628-L655 VanDerWaalsContact CD2-O 3.23Å; L628-L655 WeakPolarHBondContact CD2-O 3.31Å; L628-L655 HydrophobicContact CG-CB 4.44Å; L628-F658 HydrophobicContact CD2-CB 3.6Å; L628-F658 HydrophobicContact CD2-CD2 3.95Å; L628-F658 HydrophobicContact CD2-CG 3.97Å; L628-C660 HydrophobicContact CD2-CB 4.09Å
629	Q	89.9	Confident	81.5	Confident	81 Å²	81	56.1 Å²	56.1	38%	0.379	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-39.8	175.2	-169.9	-179.7	10.9	0	0	111.9	C625 R627 Y632 S633 L662	C625-Q629 VanDerWaalsContact O-CB 3.31Å; C625-Q629 WeakPolarHBondContact O-CB 3.43Å; C625-Q629 PolarHBondContact O-N 2.98Å; R627-Q629 PolarHBondContact O-N 3.26Å; Q629-Y632 PolarHBondContact O-N 3.33Å; Q629-S633 VanDerWaalsContact O-CB 3.31Å; Q629-S633 WeakPolarHBondContact O-CB 3.47Å; Q629-S633 PolarHBondContact O-N 3.46Å; Q629-S633 PolarHBondContact O-OG 2.9Å; Q629-L662 HydrophobicContact CB-CD2 4.11Å; Q629-L662 HydrophobicContact CG-CD2 4.37Å
630	K	91.4	Very high	83.8	Confident	125 Å²	125	51.4 Å²	51.4	54%	0.543	27%	0.271	S	S	.	.	H	α-helix	trans	-65.8	-41.1	173.8	-73.9	173.2	-176.5	178.7	0	111.9	Y604 G626 R627 C634	Y604-K630 HydrophobicContact CD1-CB 3.62Å; Y604-K630 HydrophobicContact CD1-CD 4.01Å; Y604-K630 HydrophobicContact CD1-CG 4.42Å; Y604-K630 HydrophobicContact CD2-CB 4.24Å; Y604-K630 HydrophobicContact CE1-CB 3.84Å; Y604-K630 HydrophobicContact CE1-CD 3.86Å; Y604-K630 HydrophobicContact CE1-CG 4.34Å; Y604-K630 HydrophobicContact CE2-CB 4.45Å; Y604-K630 HydrophobicContact CG-CB 3.83Å; G626-K630 WeakPolarHBondContact O-CD 3.2Å; G626-K630 VanDerWaalsContact O-CG 3.25Å; G626-K630 WeakPolarHBondContact O-CG 3.3Å; G626-K630 PolarHBondContact O-N 3.39Å; R627-K630 PolarHBondContact O-N 3.15Å; K630-C634 WeakPolarHBondContact O-CB 3.45Å; K630-C634 PolarHBondContact O-N 3.4Å
631	F	92	Very high	85.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-50.8	174	175	-106.6	0	0	0	111.6	Y530 V595 C601 I605 R627 L628 S633 C634 S635 F651 L655	Y530-F631 HydrophobicContact CE2-CE1 4.43Å; V595-F631 HydrophobicContact CG1-CE2 4.27Å; V595-F631 HydrophobicContact CG1-CZ 3.72Å; C601-F631 HydrophobicContact CB-CD2 4.15Å; C601-F631 HydrophobicContact CB-CE2 4.28Å; I605-F631 HydrophobicContact CB-CD2 4.47Å; I605-F631 HydrophobicContact CD1-CD2 4.2Å; I605-F631 HydrophobicContact CD1-CE2 3.67Å; I605-F631 HydrophobicContact CD1-CZ 4.07Å; I605-F631 HydrophobicContact CG1-CD2 4.19Å; I605-F631 HydrophobicContact CG1-CE2 4.16Å; I605-F631 HydrophobicContact CG2-CB 3.85Å; I605-F631 HydrophobicContact CG2-CD1 3.93Å; I605-F631 HydrophobicContact CG2-CD2 3.53Å; I605-F631 HydrophobicContact CG2-CE1 4.36Å; I605-F631 HydrophobicContact CG2-CE2 4Å; I605-F631 HydrophobicContact CG2-CG 3.47Å; I605-F631 VanDerWaalsContact CG2-CG 3.47Å; I605-F631 HydrophobicContact CG2-CZ 4.38Å; R627-F631 PolarHBondContact O-N 3.05Å; L628-F631 WeakPolarHBondContact O-CB 2.99Å; L628-F631 PolarHBondContact O-N 2.7Å; F631-S633 PolarHBondContact O-N 3.22Å; F631-C634 PolarHBondContact O-N 3.2Å; F631-S635 WeakPolarHBondContact O-CB 3.46Å; F631-S635 PolarHBondContact O-N 3.29Å; F631-S635 PolarHBondContact O-OG 3.49Å; F631-F651 HydrophobicContact CE1-CE2 4.17Å; F631-F651 HydrophobicContact CE1-CZ 4Å; F631-L655 HydrophobicContact CD1-CD1 4.15Å; F631-L655 HydrophobicContact CD1-CD2 4.3Å; F631-L655 HydrophobicContact CE1-CD1 4.27Å; F631-L655 HydrophobicContact CE1-CD2 4.19Å
632	Y	92.5	Very high	87.8	Confident	3 Å²	3	56.1 Å²	56.1	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-57	-51.3	176.6	174.9	-107.9	0	0	0	111	L628 Q629 C634 S635 Q636 F651 K652 L655 L662	L628-Y632 WeakPolarHBondContact O-CB 3.2Å; L628-Y632 PolarHBondContact O-N 3.23Å; Q629-Y632 PolarHBondContact O-N 3.33Å; Y632-C634 VanDerWaalsContact C-N 3.29Å; Y632-C634 PolarHBondContact O-N 2.92Å; Y632-S635 PolarHBondContact O-N 2.96Å; Y632-S635 VanDerWaalsContact O-N 3.16Å; Y632-Q636 HydrophobicContact CE1-CB 4.44Å; Y632-Q636 HydrophobicContact CE1-CG 4.37Å; Y632-Q636 HydrophobicContact CE2-CB 4.27Å; Y632-Q636 HydrophobicContact CE2-CG 4.23Å; Y632-Q636 WeakPolarHBondContact O-CA 3.45Å; Y632-Q636 WeakPolarHBondContact O-CB 3.26Å; Y632-Q636 PolarHBondContact O-N 3.47Å; Y632-Q636 VanDerWaalsContact OH-CD 3.28Å; Y632-Q636 PolarHBondContact OH-OE1 2.78Å; Y632-F651 AromaticContact CD2-CD1 3.92Å; Y632-F651 HydrophobicContact CD2-CD1 3.92Å; Y632-F651 AromaticContact CD2-CE1 3.64Å; Y632-F651 HydrophobicContact CD2-CE1 3.64Å; Y632-F651 HydrophobicContact CD2-CZ 4.47Å; Y632-F651 AromaticContact CE2-CD1 3.91Å; Y632-F651 HydrophobicContact CE2-CD1 3.91Å; Y632-F651 HydrophobicContact CE2-CE1 4.06Å; Y632-K652 HydrophobicContact CE2-CB 3.78Å; Y632-K652 HydrophobicContact CE2-CG 4.07Å; Y632-L655 HydrophobicContact CD2-CD1 3.8Å; Y632-L655 HydrophobicContact CG-CD1 4.29Å; Y632-L662 HydrophobicContact CD1-CB 4.06Å; Y632-L662 HydrophobicContact CD1-CD1 4.31Å; Y632-L662 HydrophobicContact CD1-CD2 4.48Å; Y632-L662 HydrophobicContact CD2-CD1 4.14Å; Y632-L662 HydrophobicContact CE1-CB 4.27Å; Y632-L662 HydrophobicContact CG-CD1 3.92Å; Y632-L662 HydrophobicContact CG-CD2 4.45Å
633	S	92.6	Very high	89.2	Confident	66 Å²	66	52 Å²	52	46%	0.462	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-38.1	179.9	-56.4	0	0	0	0	112.6	Q629 F631	Q629-S633 VanDerWaalsContact O-CB 3.31Å; Q629-S633 WeakPolarHBondContact O-CB 3.47Å; Q629-S633 PolarHBondContact O-N 3.46Å; Q629-S633 PolarHBondContact O-OG 2.9Å; F631-S633 PolarHBondContact O-N 3.22Å
634	C	93.9	Very high	90.2	Very high	42 Å²	42	54.5 Å²	54.5	28%	0.284	30%	0.295	S	S	.	.	H	α-helix	trans	-66.9	-40.9	177.6	-174.3	0	0	0	0	112.2	C601 Y604 K630 F631 Y632	C601-C634 WeakPolarHBondContact CA-SG 3.48Å; C601-C634 HydrophobicContact CB-CB 3.76Å; C601-C634 WeakPolarHBondContact CB-SG 3.3Å; C601-C634 WeakPolarHBondContact SG-CB 3.27Å; C601-C634 CovalentContact SG-SG 2.04Å; C601-C634 PolarHBondContact SG-SG 3.35Å; Y604-C634 HydrophobicContact CD2-CB 4.2Å; Y604-C634 HydrophobicContact CE2-CB 4.01Å; K630-C634 WeakPolarHBondContact O-CB 3.45Å; K630-C634 PolarHBondContact O-N 3.4Å; F631-C634 PolarHBondContact O-N 3.2Å; Y632-C634 VanDerWaalsContact C-N 3.29Å; Y632-C634 PolarHBondContact O-N 2.92Å
635	S	93.5	Very high	90.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-90.5	-24.8	-174.4	-61.1	0	0	0	0	113.6	F631 Y632 L637 A638 V639	F631-S635 WeakPolarHBondContact O-CB 3.46Å; F631-S635 PolarHBondContact O-N 3.29Å; F631-S635 PolarHBondContact O-OG 3.49Å; Y632-S635 PolarHBondContact O-N 2.96Å; Y632-S635 VanDerWaalsContact O-N 3.16Å; S635-L637 PolarHBondContact O-N 2.89Å; S635-A638 WeakPolarHBondContact O-CB 3.46Å; S635-A638 PolarHBondContact O-N 3.37Å; S635-V639 PolarHBondContact O-N 2.91Å; S635-V639 VanDerWaalsContact O-N 3.07Å
636	Q	93.4	Very high	91.1	Very high	38 Å²	38	59.2 Å²	59.2	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-49.1	-170.8	-178.6	-169.3	-20.2	0	0	112	Y632 A638 V639 D640	Y632-Q636 HydrophobicContact CE1-CB 4.44Å; Y632-Q636 HydrophobicContact CE1-CG 4.37Å; Y632-Q636 HydrophobicContact CE2-CB 4.27Å; Y632-Q636 HydrophobicContact CE2-CG 4.23Å; Y632-Q636 WeakPolarHBondContact O-CA 3.45Å; Y632-Q636 WeakPolarHBondContact O-CB 3.26Å; Y632-Q636 PolarHBondContact O-N 3.47Å; Y632-Q636 VanDerWaalsContact OH-CD 3.28Å; Y632-Q636 PolarHBondContact OH-OE1 2.78Å; Q636-A638 PolarHBondContact O-N 2.97Å; Q636-V639 PolarHBondContact O-N 2.99Å; Q636-V639 VanDerWaalsContact O-N 3.12Å; Q636-D640 PolarHBondContact NE2-OD2 3.48Å; Q636-D640 WeakPolarHBondContact O-CB 3.34Å; Q636-D640 VanDerWaalsContact O-CG 3.24Å; Q636-D640 PolarHBondContact O-N 3.32Å
637	L	91.5	Very high	91.4	Very high	98 Å²	98	57.5 Å²	57.5	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-61.5	-31.6	-178.3	-174.8	65.6	0	0	0	112.2	S635 R641	S635-L637 PolarHBondContact O-N 2.89Å; L637-R641 WeakPolarHBondContact O-CB 3.31Å; L637-R641 VanDerWaalsContact O-CG 3.24Å; L637-R641 WeakPolarHBondContact O-CG 3.26Å; L637-R641 PolarHBondContact O-N 3.21Å
638	A	93	Very high	91.5	Very high	3 Å²	3	56.6 Å²	56.6	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-72.9	-41.8	177.3	0	0	0	0	0	111.4	V594 R598 S635 Q636 R641 S642	V594-A638 VanDerWaalsContact CG1-C 3.5Å; V594-A638 HydrophobicContact CG1-CB 3.55Å; R598-A638 HydrophobicContact CG-CB 4.01Å; R598-A638 VanDerWaalsContact NE-CB 3.26Å; S635-A638 WeakPolarHBondContact O-CB 3.46Å; S635-A638 PolarHBondContact O-N 3.37Å; Q636-A638 PolarHBondContact O-N 2.97Å; A638-R641 PolarHBondContact O-N 2.94Å; A638-S642 VanDerWaalsContact O-CB 3.32Å; A638-S642 WeakPolarHBondContact O-CB 3.49Å; A638-S642 PolarHBondContact O-N 3.35Å; A638-S642 VanDerWaalsContact O-N 3.08Å; A638-S642 PolarHBondContact O-OG 2.7Å
639	V	93.1	Very high	91.6	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-45.7	175.4	176.6	0	0	0	0	110	V594 S635 Q636 R641 S642 C643 F651	V594-V639 HydrophobicContact CB-CG2 4.46Å; V594-V639 HydrophobicContact CG1-CG2 3.88Å; S635-V639 PolarHBondContact O-N 2.91Å; S635-V639 VanDerWaalsContact O-N 3.07Å; Q636-V639 PolarHBondContact O-N 2.99Å; Q636-V639 VanDerWaalsContact O-N 3.12Å; V639-R641 PolarHBondContact O-N 3.41Å; V639-S642 PolarHBondContact O-N 3.02Å; V639-C643 HydrophobicContact CG1-CB 4.22Å; V639-C643 WeakPolarHBondContact O-CB 3.29Å; V639-C643 PolarHBondContact O-N 3.17Å; V639-F651 HydrophobicContact CB-CD1 4.41Å; V639-F651 HydrophobicContact CG1-CB 4.4Å; V639-F651 HydrophobicContact CG1-CD1 4.39Å; V639-F651 HydrophobicContact CG2-CD1 4Å; V639-F651 HydrophobicContact CG2-CE1 4.1Å; V639-F651 HydrophobicContact CG2-CG 4.4Å
640	D	91.9	Very high	91.6	Very high	54 Å²	54	56.9 Å²	56.9	29%	0.289	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-32.7	179.2	-72	0.2	0	0	0	112.6	Q636 R648	Q636-D640 PolarHBondContact NE2-OD2 3.48Å; Q636-D640 WeakPolarHBondContact O-CB 3.34Å; Q636-D640 VanDerWaalsContact O-CG 3.24Å; Q636-D640 PolarHBondContact O-N 3.32Å; D640-R648 WeakPolarHBondContact OD1-CD 3.06Å; D640-R648 WeakPolarHBondContact OD1-CG 3.23Å; D640-R648 IonicContact OD1-CZ 3.98Å; D640-R648 IonicContact OD1-NE 2.63Å; D640-R648 PolarHBondContact OD1-NE 3.31Å; D640-R648 IonicContact OD2-CZ 3.28Å; D640-R648 IonicContact OD2-NE 3.07Å; D640-R648 PolarHBondContact OD2-NE 2.92Å; D640-R648 IonicContact OD2-NH1 3.72Å; D640-R648 IonicContact OD2-NH2 3.2Å
641	R	92.9	Very high	91.6	Very high	189 Å²	189	51 Å²	51	71%	0.713	27%	0.265	S	S	*	.	H	α-helix	trans	-84.8	-29.2	179.6	-75.2	176.8	179.8	179.1	0.8	114.1	L637 A638 V639	L637-R641 WeakPolarHBondContact O-CB 3.31Å; L637-R641 VanDerWaalsContact O-CG 3.24Å; L637-R641 WeakPolarHBondContact O-CG 3.26Å; L637-R641 PolarHBondContact O-N 3.21Å; A638-R641 PolarHBondContact O-N 2.94Å; V639-R641 PolarHBondContact O-N 3.41Å
642	S	93.5	Very high	91.5	Very high	78 Å²	78	53.7 Å²	53.7	55%	0.545	28%	0.277	S	S	.	.	H	α-helix	trans	-111.5	-19.4	-167.1	-41.8	0	0	0	0	113.4	C590 A638 V639	C590-S642 PolarHBondContact SG-O 3.38Å; A638-S642 VanDerWaalsContact O-CB 3.32Å; A638-S642 WeakPolarHBondContact O-CB 3.49Å; A638-S642 PolarHBondContact O-N 3.35Å; A638-S642 VanDerWaalsContact O-N 3.08Å; A638-S642 PolarHBondContact O-OG 2.7Å; V639-S642 PolarHBondContact O-N 3.02Å
643	C	93.1	Very high	91.3	Very high	13 Å²	13	56 Å²	56	9%	0.088	29%	0.288	C	S	.	.	S	Bend	trans	-118.7	156.1	-177.9	-60.7	0	0	0	0	112.2	C590 V639 A647	C590-C643 HydrophobicContact CB-CB 4.07Å; C590-C643 WeakPolarHBondContact CB-SG 3.2Å; C590-C643 PolarHBondContact O-SG 3Å; C590-C643 WeakPolarHBondContact SG-CA 3.44Å; C590-C643 WeakPolarHBondContact SG-CB 3.41Å; C590-C643 CovalentContact SG-SG 2.04Å; C590-C643 PolarHBondContact SG-SG 3.33Å; V639-C643 HydrophobicContact CG1-CB 4.22Å; V639-C643 WeakPolarHBondContact O-CB 3.29Å; V639-C643 PolarHBondContact O-N 3.17Å; C643-A647 HydrophobicContact CB-CB 3.55Å
644	P	90.3	Very high	91	Very high	74 Å²	74	52.9 Å²	52.9	48%	0.481	27%	0.266	S	S	.	.			trans	-57.7	155.2	174	-23.5	33.6	0	0	0	112.5	T646 A647 R648	P644-T646 PolarHBondContact O-N 2.87Å; P644-T646 VanDerWaalsContact O-N 3.08Å; P644-A647 WeakPolarHBondContact O-CA 3.35Å; P644-A647 WeakPolarHBondContact O-CB 3.44Å; P644-A647 PolarHBondContact O-N 3.36Å; P644-R648 PolarHBondContact O-N 3.49Å
645	Q	88.9	Confident	90.7	Very high	153 Å²	153	50.9 Å²	50.9	72%	0.715	25%	0.253	S	S	*	.	H	α-helix	trans	-54.7	-33.6	179.8	-172.5	177.7	-0.4	0	0	113.2	A647 R648 I649	Q645-A647 VanDerWaalsContact C-N 3.33Å; Q645-A647 PolarHBondContact O-N 3.49Å; Q645-R648 WeakPolarHBondContact O-CB 3.17Å; Q645-R648 PolarHBondContact O-N 2.03Å; Q645-I649 PolarHBondContact O-N 3.48Å
646	T	87.3	Confident	90.2	Very high	70 Å²	70	52.9 Å²	52.9	43%	0.429	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-38.8	175.3	-46.9	0	0	0	0	112.1	H587 P644 R648 I649 I650	H587-T646 WeakPolarHBondContact NE2-CB 3.44Å; P644-T646 PolarHBondContact O-N 2.87Å; P644-T646 VanDerWaalsContact O-N 3.08Å; T646-R648 VanDerWaalsContact C-N 3.32Å; T646-R648 PolarHBondContact O-N 3.03Å; T646-I649 PolarHBondContact O-N 3.31Å; T646-I650 HydrophobicContact CG2-CD1 4.08Å; T646-I650 WeakPolarHBondContact O-CG1 3.42Å; T646-I650 PolarHBondContact O-N 2.98Å
647	A	91	Very high	89.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-38.4	177.1	0	0	0	0	0	112	H587 I591 C643 P644 Q645 I649 I650 F651	H587-A647 HydrophobicContact CB-CB 3.8Å; I591-A647 HydrophobicContact CD1-CB 4.14Å; I591-A647 WeakPolarHBondContact CD1-O 3.04Å; I591-A647 HydrophobicContact CG1-CB 3.97Å; C643-A647 HydrophobicContact CB-CB 3.55Å; P644-A647 WeakPolarHBondContact O-CA 3.35Å; P644-A647 WeakPolarHBondContact O-CB 3.44Å; P644-A647 PolarHBondContact O-N 3.36Å; Q645-A647 VanDerWaalsContact C-N 3.33Å; Q645-A647 PolarHBondContact O-N 3.49Å; A647-I649 VanDerWaalsContact C-N 3.35Å; A647-I649 PolarHBondContact O-N 3.45Å; A647-I650 PolarHBondContact O-N 2.87Å; A647-F651 WeakPolarHBondContact O-CB 3.26Å; A647-F651 PolarHBondContact O-N 3.47Å
648	R	89.6	Confident	88.7	Confident	99 Å²	99	49.1 Å²	49.1	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-47	173.9	172.5	-168.1	-173.6	176.5	-2.9	111.6	D640 P644 Q645 T646 I650 F651 K652	D640-R648 WeakPolarHBondContact OD1-CD 3.06Å; D640-R648 WeakPolarHBondContact OD1-CG 3.23Å; D640-R648 IonicContact OD1-CZ 3.98Å; D640-R648 IonicContact OD1-NE 2.63Å; D640-R648 PolarHBondContact OD1-NE 3.31Å; D640-R648 IonicContact OD2-CZ 3.28Å; D640-R648 IonicContact OD2-NE 3.07Å; D640-R648 PolarHBondContact OD2-NE 2.92Å; D640-R648 IonicContact OD2-NH1 3.72Å; D640-R648 IonicContact OD2-NH2 3.2Å; P644-R648 PolarHBondContact O-N 3.49Å; Q645-R648 WeakPolarHBondContact O-CB 3.17Å; Q645-R648 PolarHBondContact O-N 2.03Å; T646-R648 VanDerWaalsContact C-N 3.32Å; T646-R648 PolarHBondContact O-N 3.03Å; R648-I650 VanDerWaalsContact C-N 3.34Å; R648-F651 PolarHBondContact O-N 3.27Å; R648-K652 PolarHBondContact O-N 3.34Å
649	I	88.9	Confident	87.7	Confident	84 Å²	84	51.7 Å²	51.7	43%	0.431	27%	0.269	S	S	.	.	H	α-helix	trans	-62.4	-45.9	-179.3	-64.2	169.1	0	0	0	109.7	Q645 T646 A647 K652 Q653	Q645-I649 PolarHBondContact O-N 3.48Å; T646-I649 PolarHBondContact O-N 3.31Å; A647-I649 VanDerWaalsContact C-N 3.35Å; A647-I649 PolarHBondContact O-N 3.45Å; I649-K652 PolarHBondContact O-N 2.96Å; I649-Q653 HydrophobicContact CG2-CG 4.31Å; I649-Q653 WeakPolarHBondContact O-CB 3.3Å; I649-Q653 VanDerWaalsContact O-CG 3.26Å; I649-Q653 WeakPolarHBondContact O-CG 3.49Å; I649-Q653 PolarHBondContact O-N 3.13Å
650	I	88.9	Confident	86.9	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-46.9	177.2	-67.1	162.4	0	0	0	110.8	Y574 S583 F584 H587 I591 T646 A647 R648 K652 Q653 S654	Y574-I650 HydrophobicContact CE1-CG2 4.45Å; S583-I650 WeakPolarHBondContact O-CD1 3.31Å; S583-I650 WeakPolarHBondContact OG-CD1 3.28Å; F584-I650 HydrophobicContact CB-CG2 4.27Å; F584-I650 HydrophobicContact CD2-CG2 3.77Å; H587-I650 HydrophobicContact CB-CD1 3.86Å; H587-I650 VanDerWaalsContact ND1-CD1 3.27Å; H587-I650 WeakPolarHBondContact ND1-CD1 3.27Å; I591-I650 HydrophobicContact CD1-CB 4.35Å; I591-I650 HydrophobicContact CD1-CG2 4.1Å; T646-I650 HydrophobicContact CG2-CD1 4.08Å; T646-I650 WeakPolarHBondContact O-CG1 3.42Å; T646-I650 PolarHBondContact O-N 2.98Å; A647-I650 PolarHBondContact O-N 2.87Å; R648-I650 VanDerWaalsContact C-N 3.34Å; I650-K652 PolarHBondContact O-N 3.31Å; I650-Q653 PolarHBondContact O-N 3.18Å; I650-S654 VanDerWaalsContact O-CB 3.25Å; I650-S654 WeakPolarHBondContact O-CB 3.38Å; I650-S654 PolarHBondContact O-N 2.64Å; I650-S654 PolarHBondContact O-OG 2.91Å
651	F	91.7	Very high	86.3	Confident	1 Å²	1	53.9 Å²	53.9	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-52.3	178.3	179.2	-122.3	0	0	0	111	Y530 I591 V595 F631 Y632 V639 A647 R648 Q653 S654 L655	Y530-F651 HydrophobicContact CD2-CE2 4.33Å; Y530-F651 HydrophobicContact CE1-CD2 4.3Å; Y530-F651 AromaticContact CE2-CD2 3.96Å; Y530-F651 HydrophobicContact CE2-CD2 3.96Å; Y530-F651 AromaticContact CE2-CE2 3.57Å; Y530-F651 HydrophobicContact CE2-CE2 3.57Å; Y530-F651 AromaticContact CZ-CD2 3.64Å; Y530-F651 AromaticContact CZ-CE2 3.77Å; Y530-F651 WeakPolarHBondContact OH-CD2 3.34Å; I591-F651 HydrophobicContact CD1-CB 4.2Å; I591-F651 HydrophobicContact CG2-CB 4.28Å; I591-F651 HydrophobicContact CG2-CD2 3.57Å; I591-F651 HydrophobicContact CG2-CE2 4.22Å; I591-F651 HydrophobicContact CG2-CG 4.17Å; V595-F651 HydrophobicContact CG2-CE2 3.84Å; V595-F651 HydrophobicContact CG2-CZ 4.14Å; F631-F651 HydrophobicContact CE1-CE2 4.17Å; F631-F651 HydrophobicContact CE1-CZ 4Å; Y632-F651 AromaticContact CD2-CD1 3.92Å; Y632-F651 HydrophobicContact CD2-CD1 3.92Å; Y632-F651 AromaticContact CD2-CE1 3.64Å; Y632-F651 HydrophobicContact CD2-CE1 3.64Å; Y632-F651 HydrophobicContact CD2-CZ 4.47Å; Y632-F651 AromaticContact CE2-CD1 3.91Å; Y632-F651 HydrophobicContact CE2-CD1 3.91Å; Y632-F651 HydrophobicContact CE2-CE1 4.06Å; V639-F651 HydrophobicContact CB-CD1 4.41Å; V639-F651 HydrophobicContact CG1-CB 4.4Å; V639-F651 HydrophobicContact CG1-CD1 4.39Å; V639-F651 HydrophobicContact CG2-CD1 4Å; V639-F651 HydrophobicContact CG2-CE1 4.1Å; V639-F651 HydrophobicContact CG2-CG 4.4Å; A647-F651 WeakPolarHBondContact O-CB 3.26Å; A647-F651 PolarHBondContact O-N 3.47Å; R648-F651 PolarHBondContact O-N 3.27Å; F651-Q653 PolarHBondContact O-N 3.13Å; F651-S654 PolarHBondContact O-N 3.41Å; F651-S654 PolarHBondContact O-OG 3.48Å; F651-L655 HydrophobicContact CD2-CD1 4.32Å; F651-L655 HydrophobicContact CE1-CD1 4.1Å; F651-L655 HydrophobicContact CE2-CD1 3.81Å; F651-L655 HydrophobicContact CE2-CG 4.37Å; F651-L655 HydrophobicContact CZ-CD1 3.69Å; F651-L655 WeakPolarHBondContact O-CG 3.33Å; F651-L655 PolarHBondContact O-N 3.12Å
652	K	90.6	Very high	85.6	Confident	57 Å²	57	44.9 Å²	44.9	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-56.7	-52.2	176.5	-177	176.8	179.7	161.7	0	111.8	Y632 R648 I649 I650 S654 L655 Q656 L662	Y632-K652 HydrophobicContact CE2-CB 3.78Å; Y632-K652 HydrophobicContact CE2-CG 4.07Å; R648-K652 PolarHBondContact O-N 3.34Å; I649-K652 PolarHBondContact O-N 2.96Å; I650-K652 PolarHBondContact O-N 3.31Å; K652-S654 VanDerWaalsContact C-N 3.33Å; K652-S654 PolarHBondContact O-N 2.92Å; K652-L655 PolarHBondContact O-N 3.19Å; K652-Q656 HydrophobicContact CG-CG 4.48Å; K652-Q656 WeakPolarHBondContact O-CG 3.46Å; K652-Q656 PolarHBondContact O-N 3Å; K652-L662 WeakPolarHBondContact CE-O 3.34Å; K652-L662 HydrophobicContact CG-CB 4.44Å; K652-L662 HydrophobicContact CG-CD1 4.46Å; K652-L662 PolarHBondContact NZ-O 2.9Å
653	Q	87.2	Confident	84.4	Confident	52 Å²	52	50.1 Å²	50.1	24%	0.243	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-41.4	-177.5	-75.7	179	-11.5	0	0	112.3	Y574 I649 I650 F651 L655 Q656 Q657	Y574-Q653 HydrophobicContact CE2-CB 3.83Å; Y574-Q653 WeakPolarHBondContact OH-CB 3.35Å; Y574-Q653 PolarHBondContact OH-OE1 3.22Å; I649-Q653 HydrophobicContact CG2-CG 4.31Å; I649-Q653 WeakPolarHBondContact O-CB 3.3Å; I649-Q653 VanDerWaalsContact O-CG 3.26Å; I649-Q653 WeakPolarHBondContact O-CG 3.49Å; I649-Q653 PolarHBondContact O-N 3.13Å; I650-Q653 PolarHBondContact O-N 3.18Å; F651-Q653 PolarHBondContact O-N 3.13Å; Q653-L655 PolarHBondContact O-N 3.21Å; Q653-Q656 PolarHBondContact O-N 3.43Å; Q653-Q657 WeakPolarHBondContact O-CG 3.24Å; Q653-Q657 PolarHBondContact O-N 3.27Å
654	S	86.5	Confident	84	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-27.6	-179.7	64.7	0	0	0	0	113.3	Y530 F575 I650 F651 K652	Y530-S654 PolarHBondContact OH-OG 2.88Å; F575-S654 VanDerWaalsContact CZ-CB 3.47Å; I650-S654 VanDerWaalsContact O-CB 3.25Å; I650-S654 WeakPolarHBondContact O-CB 3.38Å; I650-S654 PolarHBondContact O-N 2.64Å; I650-S654 PolarHBondContact O-OG 2.91Å; F651-S654 PolarHBondContact O-N 3.41Å; F651-S654 PolarHBondContact O-OG 3.48Å; K652-S654 VanDerWaalsContact C-N 3.33Å; K652-S654 PolarHBondContact O-N 2.92Å
655	L	87.3	Confident	83.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-82.8	-31.9	172.7	-64.1	176	0	0	0	112.6	F527 Y530 L628 F631 Y632 F651 K652 Q653 Q657 F658 L662	F527-L655 HydrophobicContact CE1-CD2 4.26Å; Y530-L655 HydrophobicContact CE2-CD2 4.14Å; L628-L655 HydrophobicContact CD1-CD2 3.84Å; L628-L655 HydrophobicContact CD2-CB 4.35Å; L628-L655 VanDerWaalsContact CD2-O 3.23Å; L628-L655 WeakPolarHBondContact CD2-O 3.31Å; L628-L655 HydrophobicContact CG-CB 4.44Å; F631-L655 HydrophobicContact CD1-CD1 4.15Å; F631-L655 HydrophobicContact CD1-CD2 4.3Å; F631-L655 HydrophobicContact CE1-CD1 4.27Å; F631-L655 HydrophobicContact CE1-CD2 4.19Å; Y632-L655 HydrophobicContact CD2-CD1 3.8Å; Y632-L655 HydrophobicContact CG-CD1 4.29Å; F651-L655 HydrophobicContact CD2-CD1 4.32Å; F651-L655 HydrophobicContact CE1-CD1 4.1Å; F651-L655 HydrophobicContact CE2-CD1 3.81Å; F651-L655 HydrophobicContact CE2-CG 4.37Å; F651-L655 HydrophobicContact CZ-CD1 3.69Å; F651-L655 WeakPolarHBondContact O-CG 3.33Å; F651-L655 PolarHBondContact O-N 3.12Å; K652-L655 PolarHBondContact O-N 3.19Å; Q653-L655 PolarHBondContact O-N 3.21Å; L655-Q657 PolarHBondContact O-N 2.99Å; L655-F658 WeakPolarHBondContact O-CD2 3.44Å; L655-F658 PolarHBondContact O-N 3.42Å; L655-L662 HydrophobicContact CB-CD1 3.5Å; L655-L662 HydrophobicContact CD1-CD1 4.27Å
656	Q	84.6	Confident	83.4	Confident	41 Å²	41	45.2 Å²	45.2	19%	0.192	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-17.2	175.7	-73.4	177.5	-56	0	0	112.9	K652 Q653 F658 G659 L662	K652-Q656 HydrophobicContact CG-CG 4.48Å; K652-Q656 WeakPolarHBondContact O-CG 3.46Å; K652-Q656 PolarHBondContact O-N 3Å; Q653-Q656 PolarHBondContact O-N 3.43Å; Q656-F658 PolarHBondContact O-N 3.49Å; Q656-G659 PolarHBondContact O-N 2.88Å; Q656-L662 HydrophobicContact CG-CB 4.26Å; Q656-L662 HydrophobicContact CG-CD1 3.97Å; Q656-L662 HydrophobicContact CG-CG 4.02Å
657	Q	77.4	Confident	83.1	Confident	50 Å²	50	43.7 Å²	43.7	23%	0.234	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.6	-179.8	-67.9	-74.4	5.7	0	0	114.8	Y574 Q653 L655 G659	Y574-Q657 HydrophobicContact CD2-CG 3.91Å; Y574-Q657 VanDerWaalsContact CD2-NE2 3.33Å; Y574-Q657 HydrophobicContact CG-CG 3.85Å; Q653-Q657 WeakPolarHBondContact O-CG 3.24Å; Q653-Q657 PolarHBondContact O-N 3.27Å; L655-Q657 PolarHBondContact O-N 2.99Å; Q657-G659 PolarHBondContact O-N 3Å
658	F	74.9	Confident	82.7	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.035	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	4.3	167.3	-69.3	-85.2	0	0	0	112.9	F527 A570 L571 L610 I623 L628 L655 Q656	F527-F658 HydrophobicContact CD2-CE1 4.08Å; F527-F658 AromaticContact CD2-CE2 3.51Å; F527-F658 HydrophobicContact CD2-CE2 3.51Å; F527-F658 AromaticContact CD2-CZ 3.15Å; F527-F658 HydrophobicContact CD2-CZ 3.15Å; F527-F658 HydrophobicContact CE2-CE1 4.49Å; F527-F658 AromaticContact CE2-CE2 3.3Å; F527-F658 HydrophobicContact CE2-CE2 3.3Å; F527-F658 AromaticContact CE2-CZ 3.24Å; F527-F658 HydrophobicContact CE2-CZ 3.24Å; F527-F658 HydrophobicContact CG-CE2 4.41Å; F527-F658 HydrophobicContact CG-CZ 4.25Å; F527-F658 HydrophobicContact CZ-CE2 4.1Å; F527-F658 HydrophobicContact CZ-CZ 4.41Å; A570-F658 HydrophobicContact CB-CD1 4.04Å; A570-F658 HydrophobicContact CB-CE1 3.8Å; A570-F658 HydrophobicContact CB-CZ 4.4Å; A570-F658 WeakPolarHBondContact O-CZ 3.32Å; L571-F658 HydrophobicContact CD2-CZ 4.17Å; L610-F658 HydrophobicContact CD1-CE1 4.22Å; I623-F658 HydrophobicContact CB-CD1 4.4Å; I623-F658 HydrophobicContact CD1-CD1 3.76Å; I623-F658 HydrophobicContact CD1-CE1 3.65Å; I623-F658 HydrophobicContact CD1-CZ 4.33Å; I623-F658 HydrophobicContact CG1-CD1 4.27Å; I623-F658 HydrophobicContact CG1-CE1 4.46Å; L628-F658 HydrophobicContact CD2-CB 3.6Å; L628-F658 HydrophobicContact CD2-CD2 3.95Å; L628-F658 HydrophobicContact CD2-CG 3.97Å; L655-F658 WeakPolarHBondContact O-CD2 3.44Å; L655-F658 PolarHBondContact O-N 3.42Å; Q656-F658 PolarHBondContact O-N 3.49Å
659	G	71.2	Confident	82.2	Confident	57 Å²	57	42.9 Å²	42.9	59%	0.588	23%	0.228	S	C	*	.	S	Bend	trans	82	19.1	-179.3	0	0	0	0	0	113.6	Q656 Q657	Q656-G659 PolarHBondContact O-N 2.88Å; Q657-G659 PolarHBondContact O-N 3Å
660	C	76.8	Confident	81.7	Confident	5 Å²	5	40 Å²	40	3%	0.034	21%	0.214	C	C	.	.			trans	-106.5	129.2	-175.4	-55.8	0	0	0	0	111	C625 L628 L662	C625-C660 WeakPolarHBondContact CA-SG 3.06Å; C625-C660 HydrophobicContact CB-CB 3.63Å; C625-C660 WeakPolarHBondContact CB-SG 3.27Å; C625-C660 WeakPolarHBondContact SG-CA 3.42Å; C625-C660 WeakPolarHBondContact SG-CB 3.07Å; C625-C660 CovalentContact SG-SG 2.04Å; C625-C660 PolarHBondContact SG-SG 3.21Å; L628-C660 HydrophobicContact CD2-CB 4.09Å; C660-L662 PolarHBondContact O-N 3.2Å
661	D	79.3	Confident	81.2	Confident	95 Å²	95	42.7 Å²	42.7	51%	0.508	23%	0.228	S	C	.	.			trans	-76.9	123.8	169.8	-169.3	15.3	0	0	0	109.8	Q663	D661-Q663 PolarHBondContact OD2-NE2 2.85Å
662	L	79.3	Confident	80.3	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.			trans	-108.3	89.8	-179.2	-61.5	179.4	0	0	0	106.9	Q629 Y632 K652 L655 Q656 C660	Q629-L662 HydrophobicContact CB-CD2 4.11Å; Q629-L662 HydrophobicContact CG-CD2 4.37Å; Y632-L662 HydrophobicContact CD1-CB 4.06Å; Y632-L662 HydrophobicContact CD1-CD1 4.31Å; Y632-L662 HydrophobicContact CD1-CD2 4.48Å; Y632-L662 HydrophobicContact CD2-CD1 4.14Å; Y632-L662 HydrophobicContact CE1-CB 4.27Å; Y632-L662 HydrophobicContact CG-CD1 3.92Å; Y632-L662 HydrophobicContact CG-CD2 4.45Å; K652-L662 WeakPolarHBondContact CE-O 3.34Å; K652-L662 HydrophobicContact CG-CB 4.44Å; K652-L662 HydrophobicContact CG-CD1 4.46Å; K652-L662 PolarHBondContact NZ-O 2.9Å; L655-L662 HydrophobicContact CB-CD1 3.5Å; L655-L662 HydrophobicContact CD1-CD1 4.27Å; Q656-L662 HydrophobicContact CG-CB 4.26Å; Q656-L662 HydrophobicContact CG-CD1 3.97Å; Q656-L662 HydrophobicContact CG-CG 4.02Å; C660-L662 PolarHBondContact O-N 3.2Å
663	Q	68.4	Low	79.4	Confident	189 Å²	189	45.2 Å²	45.2	88%	0.883	25%	0.247	S	C	*	.			trans	-78.8	0	175.4	-66.5	-174.1	7.3	0	0	111	D661	D661-Q663 PolarHBondContact OD2-NE2 2.85Å

Retrieved 663 of 663 residues in 532.7 ms (Link to these results)

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