A0A060XLG2_ONCMY Loading...

procollagen-proline 3-dioxygenase

AlphaFold DB , UniProt , Accession A0A060XLG2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene p3h3, Length 745 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	29.9	Very low	30.1	Very low	240 Å²	240	154.4 Å²	154.4	100%	1.182	87%	0.866	S	S	*	*				0	93.3	0	-66	-161.9	-94.8	0	0	106.5
2	A	30.7	Very low	30	Very low	96 Å²	96	151.2 Å²	151.2	79%	0.793	85%	0.852	S	S	*	*				72.6	134.9	102.4	0	0	0	0	0	112.3
3	L	33.2	Very low	29.9	Very low	159 Å²	159	146.8 Å²	146.8	83%	0.832	85%	0.847	S	S	*	*			cis	-168.1	157.4	1.6	-105.8	160.1	0	0	0	107.5
4	C	32.8	Very low	29.6	Very low	116 Å²	116	147.1 Å²	147.1	78%	0.784	84%	0.843	S	S	*	*			trans	7.4	142.3	158.8	-58.5	0	0	0	0	123.4
5	A	30.4	Very low	29.5	Very low	103 Å²	103	149.5 Å²	149.5	85%	0.851	84%	0.843	S	S	*	*				162.4	147.3	97	0	0	0	0	0	114.7
6	N	34.8	Very low	29.5	Very low	152 Å²	152	149.4 Å²	149.4	81%	0.813	84%	0.838	S	S	*	*			trans	-67.9	159.1	174.4	-73.8	-32.8	0	0	0	114.3
7	H	30.8	Very low	29.4	Very low	193 Å²	193	146.9 Å²	146.9	89%	0.894	83%	0.832	S	S	*	*				-173	138.3	122.3	-100.8	-62.6	0	0	0	115
8	N	28.2	Very low	29.3	Very low	154 Å²	154	148.2 Å²	148.2	82%	0.824	84%	0.836	S	S	*	*			trans	-70.3	156.4	170.9	-72.5	-31.3	0	0	0	113.3
9	S	26.8	Very low	29.5	Very low	124 Å²	124	148.1 Å²	148.1	87%	0.867	83%	0.831	S	S	*	*			trans	-111.2	127.7	166.6	-53.7	0	0	0	0	111.2
10	V	27.4	Very low	29.4	Very low	125 Å²	125	149.5 Å²	149.5	76%	0.758	83%	0.83	S	S	*	*			trans	-110.4	135.2	174.3	171.6	0	0	0	0	107.5	V12	V10-V12 HydrophobicContact CG1-CG2 4.27Å
11	Y	26.5	Very low	29.4	Very low	236 Å²	236	146.9 Å²	146.9	93%	0.925	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-103.8	123.6	167.9	-111.5	-87.8	0	0	0	109.7
12	V	28.1	Very low	29.3	Very low	116 Å²	116	143.4 Å²	143.4	70%	0.703	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-98.4	129.1	179.1	173.6	0	0	0	0	108.7	V10	V10-V12 HydrophobicContact CG1-CG2 4.27Å
13	A	28.7	Very low	29.3	Very low	95 Å²	95	147.1 Å²	147.1	79%	0.785	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-93.9	125.2	169.2	0	0	0	0	0	110
14	L	26.1	Very low	29	Very low	150 Å²	150	145.3 Å²	145.3	79%	0.785	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77.7	132.9	179	-108.9	95.4	0	0	0	111.7
15	H	28.5	Very low	28.8	Very low	184 Å²	184	146.5 Å²	146.5	85%	0.852	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-87.3	132.6	162.4	-87.3	-73.8	0	0	0	110.5
16	I	28.4	Very low	28.7	Very low	147 Å²	147	151.7 Å²	151.7	75%	0.754	80%	0.803	S	S	*	*			trans	-130.2	122.7	159.9	-64.9	179.9	0	0	0	108.4
17	S	29.1	Very low	28.3	Very low	107 Å²	107	153 Å²	153	75%	0.748	80%	0.797	S	S	*	*			trans	-96.8	135.7	172.2	-56.3	0	0	0	0	109.6
18	L	27	Very low	28.1	Very low	170 Å²	170	152.3 Å²	152.3	89%	0.89	80%	0.8	S	S	*	*			trans	-151.6	115.5	155.5	-104.9	156.8	0	0	0	109.3
19	I	33.3	Very low	28	Very low	146 Å²	146	150.6 Å²	150.6	75%	0.749	80%	0.795	S	S	*	*			trans	-80.1	140.9	173	-68.3	165.3	0	0	0	108
20	H	27.3	Very low	28	Very low	177 Å²	177	150.1 Å²	150.1	82%	0.819	79%	0.791	S	S	*	*				-176.4	112.9	129.9	-99.1	72.3	0	0	0	111.5
21	S	29.6	Very low	28.2	Very low	94 Å²	94	150.4 Å²	150.4	66%	0.657	80%	0.796	S	S	*	*			trans	24	124.7	137.7	161.7	0	0	0	0	119.7
22	L	28.3	Very low	28.2	Very low	167 Å²	167	145.9 Å²	145.9	87%	0.874	79%	0.792	S	S	*	*				-172.5	136.3	115.2	-96.5	159.9	0	0	0	112.2
23	F	29.3	Very low	28.2	Very low	174 Å²	174	144.4 Å²	144.4	76%	0.763	79%	0.793	S	S	*	*			trans	-56.8	145.5	175.5	-89.6	-109.4	0	0	0	113.8
24	S	28.1	Very low	27.9	Very low	121 Å²	121	143.9 Å²	143.9	85%	0.846	80%	0.797	S	S	*	*				-172	134.1	122.5	-82.2	0	0	0	0	113.4
25	F	29	Very low	28.2	Very low	141 Å²	141	144 Å²	144	62%	0.618	80%	0.796	S	S	*	*			trans	-44	144.4	171	-82.8	-109.6	0	0	0	114.9	Y27	F25-Y27 HydrophobicContact CD1-CD2 4.19Å; F25-Y27 AromaticContact CD1-CE2 3.77Å; F25-Y27 HydrophobicContact CD1-CE2 3.77Å; F25-Y27 AromaticContact CE1-CE2 3.81Å; F25-Y27 HydrophobicContact CE1-CE2 3.81Å
26	F	27.8	Very low	28	Very low	213 Å²	213	139.1 Å²	139.1	93%	0.934	80%	0.796	S	S	*	*				-162.7	132.4	119.1	-101.6	-72.6	0	0	0	111.2
27	Y	25.9	Very low	28.2	Very low	178 Å²	178	137.5 Å²	137.5	70%	0.698	80%	0.798	S	S	*	*			trans	-69.8	143	-179.7	-79.7	-98.1	0	0	0	112.8	F25	F25-Y27 HydrophobicContact CD1-CD2 4.19Å; F25-Y27 AromaticContact CD1-CE2 3.77Å; F25-Y27 HydrophobicContact CD1-CE2 3.77Å; F25-Y27 AromaticContact CE1-CE2 3.81Å; F25-Y27 HydrophobicContact CE1-CE2 3.81Å
28	L	27.1	Very low	28.3	Very low	180 Å²	180	138.4 Å²	138.4	94%	0.942	80%	0.804	S	S	*	*			trans	-156.5	119.9	142.5	-103.5	144.6	0	0	0	108.9
29	T	26.8	Very low	28.6	Very low	117 Å²	117	135.6 Å²	135.6	72%	0.718	81%	0.805	S	S	*	*			trans	-98.6	135	-171.7	39.6	0	0	0	0	111.4
30	S	26.4	Very low	28.4	Very low	114 Å²	114	132.4 Å²	132.4	80%	0.797	81%	0.808	S	S	*	*			trans	-155.8	146.1	148.6	-80.5	0	0	0	0	108.7
31	P	30.4	Very low	29.1	Very low	132 Å²	132	130 Å²	130	86%	0.857	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-88.9	139.9	-147.4	33.5	-32.6	0	0	0	113.6
32	V	27.6	Very low	29.4	Very low	140 Å²	140	129.8 Å²	129.8	85%	0.848	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-97.6	133.7	174.4	163.8	0	0	0	0	109.7
33	A	26.8	Very low	30.4	Very low	86 Å²	86	125.6 Å²	125.6	71%	0.711	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-55.6	130.7	163.1	0	0	0	0	0	110.9	I35	A33-I35 PolarHBondContact O-N 3.37Å
34	G	24.2	Very low	32.6	Very low	84 Å²	84	121.9 Å²	121.9	87%	0.866	81%	0.81	S	S	*	*			trans	-69.5	111.7	-178.9	0	0	0	0	0	112.5
35	I	30.5	Very low	35.5	Very low	152 Å²	152	118.7 Å²	118.7	78%	0.779	78%	0.784	S	S	*	*			trans	-112.9	113.3	157	-63.6	174.7	0	0	0	106.3	A33	A33-I35 PolarHBondContact O-N 3.37Å
36	G	25.9	Very low	38.5	Very low	82 Å²	82	113.3 Å²	113.3	85%	0.845	76%	0.761	S	S	*	*			trans	-84.9	116	169.6	0	0	0	0	0	110.1
37	S	31.6	Very low	41.6	Very low	113 Å²	113	105.9 Å²	105.9	79%	0.79	73%	0.733	S	S	*	*			trans	-91.5	140.6	171.3	-63.9	0	0	0	0	110.9
38	S	30.7	Very low	44.9	Very low	125 Å²	125	98 Å²	98	87%	0.874	70%	0.704	S	S	*	*			trans	-134.9	131	150.6	71.9	0	0	0	0	110
39	A	35.2	Very low	48.1	Very low	111 Å²	111	89.8 Å²	89.8	92%	0.917	66%	0.661	S	S	*	*			trans	-93.7	148.3	-164.5	0	0	0	0	0	114.5
40	G	27.8	Very low	51.3	Low	79 Å²	79	86.3 Å²	86.3	81%	0.814	64%	0.638	S	S	*	*			trans	-168.2	105.5	161.2	0	0	0	0	0	109.5
41	S	42.5	Very low	54.5	Low	128 Å²	128	84.9 Å²	84.9	90%	0.895	62%	0.624	S	S	*	*			trans	-79.6	121.4	-162.3	160.5	0	0	0	0	115.2
42	A	36	Very low	57.6	Low	88 Å²	88	79.7 Å²	79.7	73%	0.727	59%	0.589	S	S	*	*	S	Bend	trans	-157.6	102.1	141.1	0	0	0	0	0	108.7
43	S	49.3	Very low	60.8	Low	80 Å²	80	73.5 Å²	73.5	56%	0.559	55%	0.551	S	S	*	*			trans	38.1	112.8	177.1	70.1	0	0	0	0	117.5	L45	S43-L45 PolarHBondContact O-N 3.1Å
44	G	74.4	Confident	63.9	Low	95 Å²	95	76.2 Å²	76.2	98%	0.979	54%	0.543	S	S	*	.			trans	-67.1	30.3	170.2	0	0	0	0	0	115.2
45	L	88.9	Confident	67.3	Low	55 Å²	55	74.6 Å²	74.6	29%	0.288	52%	0.517	S	S	.	.			trans	-88.5	144.1	-179.9	-63.1	174.2	0	0	0	110.5	S43 T47 R133 A134 T136	S43-L45 PolarHBondContact O-N 3.1Å; L45-T47 PolarHBondContact O-N 3.29Å; L45-R133 WeakPolarHBondContact CD2-O 3.3Å; L45-A134 CarbonylContact C-O 3.6Å; L45-A134 WeakPolarHBondContact CA-O 3.26Å; L45-T136 HydrophobicContact CB-CG2 3.63Å; L45-T136 HydrophobicContact CD1-CG2 4.31Å
46	I	93.2	Very high	70.3	Confident	28 Å²	28	67.4 Å²	67.4	14%	0.144	48%	0.48	C	S	.	.	B	Isolated β-bridge	trans	-68.9	124.9	175.9	-60.1	171	0	0	0	109.2	T78 A81 L82 T85 A134 V135 T136	I46-T78 HydrophobicContact CG2-CG2 3.73Å; I46-A81 HydrophobicContact CD1-CB 3.96Å; I46-A81 HydrophobicContact CG1-CB 4.42Å; I46-L82 HydrophobicContact CG2-CB 4.16Å; I46-T85 HydrophobicContact CD1-CG2 4.48Å; I46-T85 WeakPolarHBondContact CD1-OG1 3.4Å; I46-A134 PolarHBondContact N-O 2.85Å; I46-V135 HydrophobicContact CB-CG1 4.38Å; I46-V135 HydrophobicContact CB-CG2 4.33Å; I46-V135 HydrophobicContact CD1-CG2 4.47Å; I46-T136 WeakPolarHBondContact O-CG2 3.43Å; I46-T136 PolarHBondContact O-N 3.31Å; I46-T136 PolarHBondContact O-OG1 3.3Å
47	T	93.4	Very high	73.4	Confident	57 Å²	57	64.5 Å²	64.5	35%	0.35	45%	0.446	S	S	.	.			trans	-86.8	176.6	178.7	57.4	0	0	0	0	111.8	L45 T78 T136	L45-T47 PolarHBondContact O-N 3.29Å; T47-T78 WeakPolarHBondContact O-CG2 3.4Å; T47-T136 WeakPolarHBondContact CA-OG1 3.39Å; T47-T136 HydrophobicContact CG2-CG2 4.21Å
48	S	93.6	Very high	76.2	Confident	13 Å²	13	66.1 Å²	66.1	9%	0.091	44%	0.435	C	S	.	.			trans	-75.9	128.1	174.3	114.3	0	0	0	0	110.3	D50 V51	S48-D50 WeakPolarHBondContact CB-OD1 3.49Å; S48-D50 PolarHBondContact OG-OD1 3.23Å; S48-V51 WeakPolarHBondContact OG-CB 3.44Å; S48-V51 WeakPolarHBondContact OG-CG2 3.33Å
49	Y	95.3	Very high	79.1	Confident	6 Å²	6	60.3 Å²	60.3	2%	0.024	39%	0.394	C	S	.	.	H	α-helix	trans	-82.7	-25.6	-174.7	68.5	-94.9	0	0	0	112.6	L52 Y53 S75 R79 L82 V143 I147 F151	Y49-L52 WeakPolarHBondContact O-CB 3.24Å; Y49-L52 PolarHBondContact O-N 3.43Å; Y49-Y53 WeakPolarHBondContact O-CB 3Å; Y49-Y53 PolarHBondContact O-N 3.42Å; Y49-S75 WeakPolarHBondContact CB-O 3.25Å; Y49-S75 WeakPolarHBondContact O-CB 3.29Å; Y49-R79 HydrophobicContact CD1-CB 4.18Å; Y49-R79 HydrophobicContact CD1-CG 4.48Å; Y49-R79 HydrophobicContact CD2-CB 4.06Å; Y49-R79 HydrophobicContact CD2-CG 4.38Å; Y49-R79 HydrophobicContact CE1-CG 4.36Å; Y49-R79 HydrophobicContact CE2-CB 4.44Å; Y49-R79 HydrophobicContact CE2-CG 4.26Å; Y49-R79 HydrophobicContact CG-CB 3.92Å; Y49-R79 HydrophobicContact CG-CG 4.5Å; Y49-L82 HydrophobicContact CD1-CD2 3.97Å; Y49-L82 HydrophobicContact CE1-CD2 3.93Å; Y49-V143 HydrophobicContact CE1-CG2 3.77Å; Y49-V143 HydrophobicContact CE2-CG1 4.34Å; Y49-I147 HydrophobicContact CE2-CG2 4.01Å; Y49-F151 HydrophobicContact CD2-CD2 4.38Å; Y49-F151 AromaticContact CD2-CE2 3.69Å; Y49-F151 HydrophobicContact CD2-CE2 3.69Å; Y49-F151 AromaticContact CD2-CZ 3.76Å; Y49-F151 HydrophobicContact CD2-CZ 3.76Å; Y49-F151 HydrophobicContact CE2-CD2 4.04Å; Y49-F151 AromaticContact CE2-CE2 3.79Å; Y49-F151 HydrophobicContact CE2-CE2 3.79Å; Y49-F151 HydrophobicContact CE2-CZ 4.22Å
50	D	93.1	Very high	81.9	Confident	45 Å²	45	57.2 Å²	57.2	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-64.5	-42	174.9	60	-44.1	0	0	0	111.8	S48 L52 Y53 Y54 V143 I147	S48-D50 WeakPolarHBondContact CB-OD1 3.49Å; S48-D50 PolarHBondContact OG-OD1 3.23Å; D50-L52 VanDerWaalsContact C-N 3.34Å; D50-L52 PolarHBondContact O-N 3.05Å; D50-Y53 PolarHBondContact O-N 3.24Å; D50-Y54 WeakPolarHBondContact O-CB 3.47Å; D50-Y54 PolarHBondContact O-N 3.39Å; D50-V143 HydrophobicContact CB-CG1 4.09Å; D50-V143 HydrophobicContact CB-CG2 4.48Å; D50-I147 HydrophobicContact CB-CG1 4.36Å; D50-I147 HydrophobicContact CB-CG2 3.97Å
51	V	93.4	Very high	84.7	Confident	84 Å²	84	60.4 Å²	60.4	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-40.1	174	172.6	0	0	0	0	111.2	S48 T55	S48-V51 WeakPolarHBondContact OG-CB 3.44Å; S48-V51 WeakPolarHBondContact OG-CG2 3.33Å; V51-T55 VanDerWaalsContact O-CB 3.31Å; V51-T55 WeakPolarHBondContact O-CB 3.39Å; V51-T55 PolarHBondContact O-N 3.42Å; V51-T55 PolarHBondContact O-OG1 2.86Å
52	L	96.2	Very high	87.1	Confident	22 Å²	22	58 Å²	58	12%	0.115	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-45.9	175.9	-70	171.8	0	0	0	111.1	Y49 D50 T55 G56 L71 K74 T78	Y49-L52 WeakPolarHBondContact O-CB 3.24Å; Y49-L52 PolarHBondContact O-N 3.43Å; D50-L52 VanDerWaalsContact C-N 3.34Å; D50-L52 PolarHBondContact O-N 3.05Å; L52-T55 PolarHBondContact O-N 3.03Å; L52-G56 PolarHBondContact O-N 2.72Å; L52-L71 HydrophobicContact CD2-CD2 3.89Å; L52-K74 HydrophobicContact CD1-CB 4.42Å; L52-K74 HydrophobicContact CD1-CD 4.26Å; L52-K74 HydrophobicContact CD1-CG 3.92Å; L52-K74 HydrophobicContact CD2-CD 4.19Å; L52-T78 HydrophobicContact CD1-CG2 4.26Å
53	Y	95.3	Very high	89.9	Confident	11 Å²	11	60.3 Å²	60.3	4%	0.043	33%	0.33	C	S	.	.	H	α-helix	trans	-58.7	-54	176.4	176.3	-111.3	0	0	0	111.3	Y49 D50 T55 G56 V57 L72 I147 E150 F151 P156 F159	Y49-Y53 WeakPolarHBondContact O-CB 3Å; Y49-Y53 PolarHBondContact O-N 3.42Å; D50-Y53 PolarHBondContact O-N 3.24Å; Y53-T55 VanDerWaalsContact C-N 3.3Å; Y53-T55 PolarHBondContact O-N 3.11Å; Y53-G56 WeakPolarHBondContact O-CA 3.38Å; Y53-G56 PolarHBondContact O-N 2.65Å; Y53-V57 HydrophobicContact CD1-CG2 4.45Å; Y53-V57 HydrophobicContact CD2-CG2 4.13Å; Y53-V57 HydrophobicContact CE1-CG2 4.11Å; Y53-V57 HydrophobicContact CE2-CG2 3.7Å; Y53-V57 HydrophobicContact CG-CG2 4.49Å; Y53-V57 WeakPolarHBondContact O-CG2 3.34Å; Y53-V57 PolarHBondContact O-N 3.08Å; Y53-L72 HydrophobicContact CD2-CD2 3.7Å; Y53-L72 HydrophobicContact CE2-CD2 3.95Å; Y53-I147 HydrophobicContact CD1-CD1 3.74Å; Y53-I147 HydrophobicContact CE1-CD1 4.06Å; Y53-E150 HydrophobicContact CE1-CB 4.07Å; Y53-E150 HydrophobicContact CE1-CG 4.15Å; Y53-E150 PolarHBondContact OH-OE2 2.89Å; Y53-F151 HydrophobicContact CD1-CE2 4.43Å; Y53-F151 HydrophobicContact CD2-CE2 4.22Å; Y53-F151 HydrophobicContact CD2-CZ 4.34Å; Y53-F151 AromaticContact CG-CE2 3.96Å; Y53-F151 HydrophobicContact CG-CE2 3.96Å; Y53-F151 HydrophobicContact CG-CZ 4.37Å; Y53-P156 HydrophobicContact CD2-CG 4.04Å; Y53-P156 HydrophobicContact CE2-CB 4.2Å; Y53-P156 HydrophobicContact CE2-CG 3.71Å; Y53-F159 HydrophobicContact CE2-CD2 4.48Å; Y53-F159 WeakPolarHBondContact OH-CE2 3.28Å
54	Y	92.3	Very high	92.1	Very high	142 Å²	142	60.5 Å²	60.5	56%	0.557	32%	0.321	S	S	*	.	H	α-helix	trans	-58.9	-41.4	-179.8	-177.5	-101	0	0	0	112.3	D50 V57 R58	D50-Y54 WeakPolarHBondContact O-CB 3.47Å; D50-Y54 PolarHBondContact O-N 3.39Å; Y54-V57 PolarHBondContact O-N 3.25Å; Y54-R58 HydrophobicContact CD1-CG 4.44Å; Y54-R58 HydrophobicContact CE1-CG 4.09Å; Y54-R58 WeakPolarHBondContact O-CG 3.32Å; Y54-R58 PolarHBondContact O-N 2.96Å
55	T	94.2	Very high	93.1	Very high	51 Å²	51	58.1 Å²	58.1	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-68.2	-37	177.2	-50.6	0	0	0	0	111.4	V51 L52 Y53 R58 A59 L71	V51-T55 VanDerWaalsContact O-CB 3.31Å; V51-T55 WeakPolarHBondContact O-CB 3.39Å; V51-T55 PolarHBondContact O-N 3.42Å; V51-T55 PolarHBondContact O-OG1 2.86Å; L52-T55 PolarHBondContact O-N 3.03Å; Y53-T55 VanDerWaalsContact C-N 3.3Å; Y53-T55 PolarHBondContact O-N 3.11Å; T55-R58 PolarHBondContact O-N 3.43Å; T55-A59 WeakPolarHBondContact O-CB 3.33Å; T55-A59 PolarHBondContact O-N 3.42Å; T55-L71 HydrophobicContact CG2-CD1 3.65Å
56	G	94.4	Very high	93.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.4	-44.7	174.3	0	0	0	0	0	112.8	L52 Y53 R58 A59 Y60	L52-G56 PolarHBondContact O-N 2.72Å; Y53-G56 WeakPolarHBondContact O-CA 3.38Å; Y53-G56 PolarHBondContact O-N 2.65Å; G56-R58 VanDerWaalsContact C-N 3.34Å; G56-R58 PolarHBondContact O-N 3.17Å; G56-A59 WeakPolarHBondContact O-CB 3.38Å; G56-A59 PolarHBondContact O-N 3.33Å; G56-Y60 PolarHBondContact O-N 3.42Å
57	V	89.8	Confident	93.8	Very high	21 Å²	21	64.5 Å²	64.5	13%	0.127	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-39.6	174.3	174.3	0	0	0	0	111.2	Y53 Y54 Y60 F61 L72 F159	Y53-V57 HydrophobicContact CD1-CG2 4.45Å; Y53-V57 HydrophobicContact CD2-CG2 4.13Å; Y53-V57 HydrophobicContact CE1-CG2 4.11Å; Y53-V57 HydrophobicContact CE2-CG2 3.7Å; Y53-V57 HydrophobicContact CG-CG2 4.49Å; Y53-V57 WeakPolarHBondContact O-CG2 3.34Å; Y53-V57 PolarHBondContact O-N 3.08Å; Y54-V57 PolarHBondContact O-N 3.25Å; V57-Y60 VanDerWaalsContact O-CB 3.32Å; V57-Y60 WeakPolarHBondContact O-CB 3.21Å; V57-Y60 PolarHBondContact O-N 3.31Å; V57-F61 HydrophobicContact CG1-CD2 3.82Å; V57-F61 HydrophobicContact CG1-CE2 3.51Å; V57-F61 WeakPolarHBondContact O-CD2 3.48Å; V57-F61 PolarHBondContact O-N 3.13Å; V57-F61 VanDerWaalsContact O-N 3.08Å; V57-L72 HydrophobicContact CG2-CD2 4.14Å; V57-F159 HydrophobicContact CG1-CE1 4.28Å; V57-F159 HydrophobicContact CG1-CZ 4.08Å; V57-F159 HydrophobicContact CG2-CD2 4.05Å; V57-F159 HydrophobicContact CG2-CE2 3.85Å; V57-F159 HydrophobicContact CG2-CZ 4.21Å
58	R	90.5	Very high	93.9	Very high	148 Å²	148	61.8 Å²	61.8	56%	0.558	29%	0.293	S	S	*	.	H	α-helix	trans	-62.9	-43.2	172.6	-77.3	-179.2	60.5	-173.1	2.1	112.6	Y54 T55 G56 Y60 F61 S62	Y54-R58 HydrophobicContact CD1-CG 4.44Å; Y54-R58 HydrophobicContact CE1-CG 4.09Å; Y54-R58 WeakPolarHBondContact O-CG 3.32Å; Y54-R58 PolarHBondContact O-N 2.96Å; T55-R58 PolarHBondContact O-N 3.43Å; G56-R58 VanDerWaalsContact C-N 3.34Å; G56-R58 PolarHBondContact O-N 3.17Å; R58-Y60 VanDerWaalsContact C-N 3.26Å; R58-Y60 PolarHBondContact O-N 2.87Å; R58-F61 PolarHBondContact O-N 3.5Å; R58-S62 PolarHBondContact O-N 3.44Å; R58-S62 PolarHBondContact O-OG 2.89Å
59	A	92.3	Very high	94.1	Very high	3 Å²	3	61.6 Å²	61.6	3%	0.025	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-37.3	175.5	0	0	0	0	0	111.5	T55 G56 S62 E63 E64 K67 A68	T55-A59 WeakPolarHBondContact O-CB 3.33Å; T55-A59 PolarHBondContact O-N 3.42Å; G56-A59 WeakPolarHBondContact O-CB 3.38Å; G56-A59 PolarHBondContact O-N 3.33Å; A59-S62 CarbonylContact O-C 3.48Å; A59-S62 PolarHBondContact O-N 3.07Å; A59-E63 PolarHBondContact O-N 2.87Å; A59-E64 HydrophobicContact CB-CB 4.16Å; A59-E64 PolarHBondContact O-N 3.45Å; A59-K67 HydrophobicContact CB-CB 4.41Å; A59-K67 HydrophobicContact CB-CD 4.14Å; A59-K67 HydrophobicContact CB-CG 4.22Å; A59-A68 HydrophobicContact CB-CB 3.97Å
60	Y	93	Very high	94.3	Very high	46 Å²	46	67.3 Å²	67.3	18%	0.18	32%	0.319	C	S	.	.	H	α-helix	trans	-58.6	-49.9	173.1	171.4	-95.6	0	0	0	112.1	G56 V57 R58 S62 E63 W65 F159 V162 V163	G56-Y60 PolarHBondContact O-N 3.42Å; V57-Y60 VanDerWaalsContact O-CB 3.32Å; V57-Y60 WeakPolarHBondContact O-CB 3.21Å; V57-Y60 PolarHBondContact O-N 3.31Å; R58-Y60 VanDerWaalsContact C-N 3.26Å; R58-Y60 PolarHBondContact O-N 2.87Å; Y60-S62 VanDerWaalsContact C-N 3.27Å; Y60-S62 PolarHBondContact O-N 3.15Å; Y60-E63 PolarHBondContact O-N 3.08Å; Y60-W65 HydrophobicContact CD2-CE3 4.37Å; Y60-W65 AromaticContact CD2-CZ3 3.75Å; Y60-W65 HydrophobicContact CD2-CZ3 3.75Å; Y60-W65 AromaticContact CE2-CZ3 3.76Å; Y60-W65 HydrophobicContact CE2-CZ3 3.76Å; Y60-F159 AromaticContact CD1-CD1 3.59Å; Y60-F159 HydrophobicContact CD1-CD1 3.59Å; Y60-F159 AromaticContact CD1-CE1 3.95Å; Y60-F159 HydrophobicContact CD1-CE1 3.95Å; Y60-F159 HydrophobicContact CD2-CB 4.5Å; Y60-F159 HydrophobicContact CD2-CD1 4.3Å; Y60-F159 AromaticContact CE1-CD1 3.69Å; Y60-F159 HydrophobicContact CE1-CD1 3.69Å; Y60-F159 HydrophobicContact CE1-CE1 4Å; Y60-F159 HydrophobicContact CE2-CD1 4.39Å; Y60-F159 AromaticContact CG-CD1 3.91Å; Y60-F159 HydrophobicContact CG-CD1 3.91Å; Y60-V162 HydrophobicContact CE2-CB 3.84Å; Y60-V162 HydrophobicContact CE2-CG1 3.85Å; Y60-V163 HydrophobicContact CD2-CG2 3.55Å; Y60-V163 HydrophobicContact CE2-CG2 4.13Å
61	F	87.1	Confident	94.5	Very high	146 Å²	146	66.3 Å²	66.3	64%	0.64	31%	0.313	S	S	*	.	H	α-helix	trans	-69.9	-23.1	178.2	-73.1	-64.3	0	0	0	113.8	V57 R58 E63 F159	V57-F61 HydrophobicContact CG1-CD2 3.82Å; V57-F61 HydrophobicContact CG1-CE2 3.51Å; V57-F61 WeakPolarHBondContact O-CD2 3.48Å; V57-F61 PolarHBondContact O-N 3.13Å; V57-F61 VanDerWaalsContact O-N 3.08Å; R58-F61 PolarHBondContact O-N 3.5Å; F61-E63 VanDerWaalsContact C-N 3.26Å; F61-F159 HydrophobicContact CE2-CE1 4.42Å; F61-F159 HydrophobicContact CZ-CE1 4.32Å
62	S	93.2	Very high	94.7	Very high	76 Å²	76	62.3 Å²	62.3	53%	0.531	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	3.5	170.9	-62.2	0	0	0	0	113.6	R58 A59 Y60 E64	R58-S62 PolarHBondContact O-N 3.44Å; R58-S62 PolarHBondContact O-OG 2.89Å; A59-S62 CarbonylContact O-C 3.48Å; A59-S62 PolarHBondContact O-N 3.07Å; Y60-S62 VanDerWaalsContact C-N 3.27Å; Y60-S62 PolarHBondContact O-N 3.15Å; S62-E64 PolarHBondContact O-N 2.96Å
63	E	94.1	Very high	94.7	Very high	138 Å²	138	63.3 Å²	63.3	65%	0.645	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	21.8	-176.2	-52.6	-173.2	-178.5	0	0	114.6	A59 Y60 F61 W65	A59-E63 PolarHBondContact O-N 2.87Å; Y60-E63 PolarHBondContact O-N 3.08Å; F61-E63 VanDerWaalsContact C-N 3.26Å; E63-W65 VanDerWaalsContact C-N 3.28Å; E63-W65 HydrophobicContact CB-CH2 4.27Å; E63-W65 HydrophobicContact CB-CZ2 3.66Å; E63-W65 HydrophobicContact CG-CH2 4.11Å; E63-W65 HydrophobicContact CG-CZ2 3.75Å; E63-W65 PolarHBondContact O-N 3.38Å; E63-W65 PolarHBondContact O-NE1 2.98Å
64	E	96.3	Very high	94.8	Very high	83 Å²	83	67.5 Å²	67.5	39%	0.388	31%	0.312	S	S	.	.			trans	-82.2	69.5	173.1	-66.5	178.1	-102.3	0	0	109.8	A59 S62 E66 K67 A68	A59-E64 HydrophobicContact CB-CB 4.16Å; A59-E64 PolarHBondContact O-N 3.45Å; S62-E64 PolarHBondContact O-N 2.96Å; E64-E66 PolarHBondContact O-N 3.22Å; E64-K67 HydrophobicContact CB-CB 4.18Å; E64-K67 HydrophobicContact CB-CD 4.32Å; E64-K67 PolarHBondContact O-N 2.98Å; E64-K67 IonicContact OE1-NZ 2.94Å; E64-K67 PolarHBondContact OE1-NZ 3.04Å; E64-K67 WeakPolarHBondContact OE2-CD 3.36Å; E64-K67 IonicContact OE2-NZ 3.51Å; E64-K67 PolarHBondContact OE2-NZ 3.37Å; E64-A68 WeakPolarHBondContact O-CB 3.47Å; E64-A68 PolarHBondContact O-N 2.97Å
65	W	96.6	Very high	95.1	Very high	46 Å²	46	60.7 Å²	60.7	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-46.7	-167.3	-52.6	115.2	0	0	0	114.5	Y60 E63 K67 A68 A69 V163 K166 L167	Y60-W65 HydrophobicContact CD2-CE3 4.37Å; Y60-W65 AromaticContact CD2-CZ3 3.75Å; Y60-W65 HydrophobicContact CD2-CZ3 3.75Å; Y60-W65 AromaticContact CE2-CZ3 3.76Å; Y60-W65 HydrophobicContact CE2-CZ3 3.76Å; E63-W65 VanDerWaalsContact C-N 3.28Å; E63-W65 HydrophobicContact CB-CH2 4.27Å; E63-W65 HydrophobicContact CB-CZ2 3.66Å; E63-W65 HydrophobicContact CG-CH2 4.11Å; E63-W65 HydrophobicContact CG-CZ2 3.75Å; E63-W65 PolarHBondContact O-N 3.38Å; E63-W65 PolarHBondContact O-NE1 2.98Å; W65-K67 VanDerWaalsContact C-N 3.35Å; W65-K67 PolarHBondContact O-N 3.41Å; W65-A68 PolarHBondContact O-N 3.44Å; W65-A69 PolarHBondContact O-N 3.35Å; W65-V163 HydrophobicContact CB-CG1 4.3Å; W65-V163 HydrophobicContact CE3-CG2 4.18Å; W65-V163 WeakPolarHBondContact O-CG1 3.04Å; W65-K166 HydrophobicContact CD2-CB 3.75Å; W65-K166 HydrophobicContact CD2-CG 3.93Å; W65-K166 HydrophobicContact CE3-CB 4.18Å; W65-K166 HydrophobicContact CE3-CG 4.08Å; W65-K166 HydrophobicContact CG-CB 3.93Å; W65-K166 HydrophobicContact CH2-CG 4.12Å; W65-K166 HydrophobicContact CZ2-CD 4.15Å; W65-K166 HydrophobicContact CZ2-CG 3.94Å; W65-K166 HydrophobicContact CZ3-CG 4.18Å; W65-L167 HydrophobicContact CB-CD1 4.5Å; W65-L167 HydrophobicContact CB-CD2 3.7Å; W65-L167 HydrophobicContact CB-CG 3.96Å
66	E	97.8	Very high	95.1	Very high	130 Å²	130	58.7 Å²	58.7	61%	0.607	27%	0.272	S	S	*	.	H	α-helix	trans	-62.4	-43.9	-179	-69.9	77.8	-175.8	0	0	111.5	E64 A69 E70 L167	E64-E66 PolarHBondContact O-N 3.22Å; E66-A69 PolarHBondContact O-N 3.34Å; E66-E70 PolarHBondContact O-N 3.13Å; E66-L167 VanDerWaalsContact CD-CD2 3.4Å; E66-L167 HydrophobicContact CG-CD2 3.77Å; E66-L167 WeakPolarHBondContact OE1-CD2 3.23Å
67	K	97.3	Very high	95.2	Very high	87 Å²	87	61.4 Å²	61.4	38%	0.378	29%	0.291	S	S	.	.	H	α-helix	trans	-69.8	-39	179	-174.9	-172.3	-177	-173.6	0	111.5	A59 E64 W65 E70 L71	A59-K67 HydrophobicContact CB-CB 4.41Å; A59-K67 HydrophobicContact CB-CD 4.14Å; A59-K67 HydrophobicContact CB-CG 4.22Å; E64-K67 HydrophobicContact CB-CB 4.18Å; E64-K67 HydrophobicContact CB-CD 4.32Å; E64-K67 PolarHBondContact O-N 2.98Å; E64-K67 IonicContact OE1-NZ 2.94Å; E64-K67 PolarHBondContact OE1-NZ 3.04Å; E64-K67 WeakPolarHBondContact OE2-CD 3.36Å; E64-K67 IonicContact OE2-NZ 3.51Å; E64-K67 PolarHBondContact OE2-NZ 3.37Å; W65-K67 VanDerWaalsContact C-N 3.35Å; W65-K67 PolarHBondContact O-N 3.41Å; K67-E70 PolarHBondContact O-N 2.86Å; K67-L71 HydrophobicContact CG-CD1 3.83Å; K67-L71 HydrophobicContact CG-CG 4.4Å; K67-L71 WeakPolarHBondContact O-CB 3.48Å; K67-L71 VanDerWaalsContact O-CG 3.27Å; K67-L71 WeakPolarHBondContact O-CG 3.01Å; K67-L71 PolarHBondContact O-N 2.64Å
68	A	97.1	Very high	95.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.1	-46.9	173.6	0	0	0	0	0	110.8	A59 E64 W65 E70 L71 L72 V163	A59-A68 HydrophobicContact CB-CB 3.97Å; E64-A68 WeakPolarHBondContact O-CB 3.47Å; E64-A68 PolarHBondContact O-N 2.97Å; W65-A68 PolarHBondContact O-N 3.44Å; A68-E70 PolarHBondContact O-N 2.93Å; A68-L71 PolarHBondContact O-N 3.11Å; A68-L72 VanDerWaalsContact O-CB 3.32Å; A68-L72 WeakPolarHBondContact O-CB 3.39Å; A68-L72 VanDerWaalsContact O-CG 3.24Å; A68-L72 WeakPolarHBondContact O-CG 3.37Å; A68-L72 PolarHBondContact O-N 3.27Å; A68-V163 HydrophobicContact CB-CG1 4.44Å; A68-V163 HydrophobicContact CB-CG2 4Å
69	A	97.6	Very high	95.7	Very high	9 Å²	9	56.6 Å²	56.6	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-49.2	176.5	0	0	0	0	0	111.5	W65 E66 E73 V163 Y164 L167	W65-A69 PolarHBondContact O-N 3.35Å; E66-A69 PolarHBondContact O-N 3.34Å; A69-E73 WeakPolarHBondContact O-CB 3.48Å; A69-E73 VanDerWaalsContact O-CG 3.3Å; A69-E73 WeakPolarHBondContact O-CG 3.19Å; A69-E73 PolarHBondContact O-N 3.25Å; A69-V163 HydrophobicContact CB-CG1 3.64Å; A69-Y164 HydrophobicContact CB-CE1 4.31Å; A69-L167 HydrophobicContact CB-CD1 4.04Å
70	E	97.8	Very high	95.8	Very high	125 Å²	125	60.6 Å²	60.6	58%	0.584	29%	0.29	S	S	*	.	H	α-helix	trans	-59.6	-49.7	-179.8	-173.3	-172.4	159.7	0	0	111.5	E66 K67 A68 K74	E66-E70 PolarHBondContact O-N 3.13Å; K67-E70 PolarHBondContact O-N 2.86Å; A68-E70 PolarHBondContact O-N 2.93Å; E70-K74 WeakPolarHBondContact O-CB 3.43Å; E70-K74 PolarHBondContact O-N 3.34Å
71	L	97.9	Very high	95.9	Very high	25 Å²	25	59.4 Å²	59.4	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-69.6	-38	-175.2	-70.9	172.1	0	0	0	113	L52 T55 K67 A68 K74 S75	L52-L71 HydrophobicContact CD2-CD2 3.89Å; T55-L71 HydrophobicContact CG2-CD1 3.65Å; K67-L71 HydrophobicContact CG-CD1 3.83Å; K67-L71 HydrophobicContact CG-CG 4.4Å; K67-L71 WeakPolarHBondContact O-CB 3.48Å; K67-L71 VanDerWaalsContact O-CG 3.27Å; K67-L71 WeakPolarHBondContact O-CG 3.01Å; K67-L71 PolarHBondContact O-N 2.64Å; A68-L71 PolarHBondContact O-N 3.11Å; L71-K74 PolarHBondContact O-N 2.92Å; L71-S75 WeakPolarHBondContact O-CB 3.25Å; L71-S75 PolarHBondContact O-N 3.24Å
72	L	97.6	Very high	96.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.9	-42.5	177.6	-69.5	169.8	0	0	0	111.9	Y53 V57 A68 K74 S75 M76 F159 L160	Y53-L72 HydrophobicContact CD2-CD2 3.7Å; Y53-L72 HydrophobicContact CE2-CD2 3.95Å; V57-L72 HydrophobicContact CG2-CD2 4.14Å; A68-L72 VanDerWaalsContact O-CB 3.32Å; A68-L72 WeakPolarHBondContact O-CB 3.39Å; A68-L72 VanDerWaalsContact O-CG 3.24Å; A68-L72 WeakPolarHBondContact O-CG 3.37Å; A68-L72 PolarHBondContact O-N 3.27Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 3.48Å; L72-S75 PolarHBondContact O-N 2.97Å; L72-S75 PolarHBondContact O-OG 3.09Å; L72-M76 PolarHBondContact O-N 3.44Å; L72-F159 HydrophobicContact CD1-CB 3.64Å; L72-L160 HydrophobicContact CB-CD1 4.22Å; L72-L160 HydrophobicContact CB-CD2 3.81Å; L72-L160 HydrophobicContact CB-CG 3.91Å; L72-L160 HydrophobicContact CD1-CD2 4.13Å; L72-L160 HydrophobicContact CD1-CG 4.09Å
73	E	97.4	Very high	96.2	Very high	43 Å²	43	52.3 Å²	52.3	20%	0.201	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-37.8	172.8	-70	-73.3	178.8	0	0	111.3	A69 M76 S77 L160 Y164 R211	A69-E73 WeakPolarHBondContact O-CB 3.48Å; A69-E73 VanDerWaalsContact O-CG 3.3Å; A69-E73 WeakPolarHBondContact O-CG 3.19Å; A69-E73 PolarHBondContact O-N 3.25Å; E73-M76 HydrophobicContact CG-CE 4.48Å; E73-M76 VanDerWaalsContact OE2-CE 3.31Å; E73-M76 WeakPolarHBondContact OE2-CE 3.43Å; E73-S77 PolarHBondContact O-N 3.03Å; E73-S77 VanDerWaalsContact O-N 3.08Å; E73-S77 PolarHBondContact O-OG 2.87Å; E73-L160 HydrophobicContact CG-CD1 4.22Å; E73-L160 HydrophobicContact CG-CD2 4.13Å; E73-Y164 VanDerWaalsContact CD-OH 3.23Å; E73-Y164 VanDerWaalsContact CG-OH 3.3Å; E73-Y164 WeakPolarHBondContact CG-OH 3.28Å; E73-Y164 WeakPolarHBondContact OE1-CE2 3.42Å; E73-Y164 PolarHBondContact OE1-OH 2.87Å; E73-R211 IonicContact OE1-CZ 2.94Å; E73-R211 IonicContact OE1-NH1 2.82Å; E73-R211 PolarHBondContact OE1-NH1 2.61Å; E73-R211 IonicContact OE1-NH2 2.96Å; E73-R211 PolarHBondContact OE1-NH2 3.06Å; E73-R211 IonicContact OE2-CZ 2.83Å; E73-R211 IonicContact OE2-NH1 3.47Å; E73-R211 IonicContact OE2-NH2 3.82Å; E73-R211 PolarHBondContact OE2-NH2 2.59Å
74	K	97.3	Very high	96.2	Very high	98 Å²	98	53.7 Å²	53.7	43%	0.426	25%	0.249	S	C	.	.	H	α-helix	trans	-67.2	-35.7	176.2	-163.8	175	-176.5	171.8	0	112.1	L52 E70 L71 L72 S77 T78	L52-K74 HydrophobicContact CD1-CB 4.42Å; L52-K74 HydrophobicContact CD1-CD 4.26Å; L52-K74 HydrophobicContact CD1-CG 3.92Å; L52-K74 HydrophobicContact CD2-CD 4.19Å; E70-K74 WeakPolarHBondContact O-CB 3.43Å; E70-K74 PolarHBondContact O-N 3.34Å; L71-K74 PolarHBondContact O-N 2.92Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 3.48Å; K74-S77 WeakPolarHBondContact CA-OG 3.22Å; K74-S77 PolarHBondContact O-OG 3.11Å; K74-T78 WeakPolarHBondContact O-CB 3.44Å; K74-T78 PolarHBondContact O-N 2.89Å; K74-T78 PolarHBondContact O-OG1 2.95Å
75	S	97.1	Very high	96.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-44.1	178.1	70	0	0	0	0	111.4	Y49 L71 L72 T78 R79	Y49-S75 WeakPolarHBondContact CB-O 3.25Å; Y49-S75 WeakPolarHBondContact O-CB 3.29Å; L71-S75 WeakPolarHBondContact O-CB 3.25Å; L71-S75 PolarHBondContact O-N 3.24Å; L72-S75 PolarHBondContact O-N 2.97Å; L72-S75 PolarHBondContact O-OG 3.09Å; S75-T78 PolarHBondContact O-N 3.36Å; S75-R79 PolarHBondContact O-N 3.19Å
76	M	95.9	Very high	96.1	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.039	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-52.2	177.4	-63.2	-178.1	-57.9	0	0	112	L72 E73 T78 R79 E80 F151 P156 Y157 L160	L72-M76 PolarHBondContact O-N 3.44Å; E73-M76 HydrophobicContact CG-CE 4.48Å; E73-M76 VanDerWaalsContact OE2-CE 3.31Å; E73-M76 WeakPolarHBondContact OE2-CE 3.43Å; M76-T78 VanDerWaalsContact C-N 3.28Å; M76-T78 PolarHBondContact O-N 3.05Å; M76-R79 WeakPolarHBondContact O-CB 3.34Å; M76-R79 PolarHBondContact O-N 3.27Å; M76-R79 VanDerWaalsContact O-N 3.09Å; M76-E80 PolarHBondContact O-N 2.99Å; M76-F151 HydrophobicContact CG-CE1 3.94Å; M76-P156 HydrophobicContact CG-CB 4.07Å; M76-P156 HydrophobicContact CG-CG 4.43Å; M76-P156 HydrophobicContact SD-CB 3.75Å; M76-Y157 HydrophobicContact CE-CE1 3.97Å; M76-Y157 HydrophobicContact SD-CD1 4.3Å; M76-Y157 HydrophobicContact SD-CD2 4.17Å; M76-Y157 HydrophobicContact SD-CE1 3.74Å; M76-Y157 HydrophobicContact SD-CE2 3.62Å; M76-L160 HydrophobicContact CE-CD1 3.32Å; M76-L160 HydrophobicContact SD-CD1 4.28Å
77	S	95.4	Very high	95.9	Very high	57 Å²	57	47.3 Å²	47.3	40%	0.399	22%	0.219	S	C	.	.	H	α-helix	trans	-62.7	-32.7	177.3	54.2	0	0	0	0	113.2	E73 K74 A81	E73-S77 PolarHBondContact O-N 3.03Å; E73-S77 VanDerWaalsContact O-N 3.08Å; E73-S77 PolarHBondContact O-OG 2.87Å; K74-S77 WeakPolarHBondContact CA-OG 3.22Å; K74-S77 PolarHBondContact O-OG 3.11Å; S77-A81 VanDerWaalsContact O-CB 3.28Å; S77-A81 WeakPolarHBondContact O-CB 3.4Å; S77-A81 PolarHBondContact O-N 3.38Å
78	T	96.4	Very high	95.8	Very high	15 Å²	15	47.4 Å²	47.4	9%	0.092	22%	0.221	C	C	.	.	H	α-helix	trans	-68.3	-40.2	173.3	-60.4	0	0	0	0	111.4	I46 T47 L52 K74 S75 M76 A81 L82	I46-T78 HydrophobicContact CG2-CG2 3.73Å; T47-T78 WeakPolarHBondContact O-CG2 3.4Å; L52-T78 HydrophobicContact CD1-CG2 4.26Å; K74-T78 WeakPolarHBondContact O-CB 3.44Å; K74-T78 PolarHBondContact O-N 2.89Å; K74-T78 PolarHBondContact O-OG1 2.95Å; S75-T78 PolarHBondContact O-N 3.36Å; M76-T78 VanDerWaalsContact C-N 3.28Å; M76-T78 PolarHBondContact O-N 3.05Å; T78-A81 PolarHBondContact O-N 2.88Å; T78-L82 WeakPolarHBondContact O-CB 3.07Å; T78-L82 PolarHBondContact O-N 2.94Å
79	R	94.6	Very high	95.7	Very high	53 Å²	53	47.5 Å²	47.5	20%	0.2	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-49	174.8	180	-176.6	173.8	-142.1	7.4	110.9	Y49 S75 M76 A81 L82 F83 F151	Y49-R79 HydrophobicContact CD1-CB 4.18Å; Y49-R79 HydrophobicContact CD1-CG 4.48Å; Y49-R79 HydrophobicContact CD2-CB 4.06Å; Y49-R79 HydrophobicContact CD2-CG 4.38Å; Y49-R79 HydrophobicContact CE1-CG 4.36Å; Y49-R79 HydrophobicContact CE2-CB 4.44Å; Y49-R79 HydrophobicContact CE2-CG 4.26Å; Y49-R79 HydrophobicContact CG-CB 3.92Å; Y49-R79 HydrophobicContact CG-CG 4.5Å; S75-R79 PolarHBondContact O-N 3.19Å; M76-R79 WeakPolarHBondContact O-CB 3.34Å; M76-R79 PolarHBondContact O-N 3.27Å; M76-R79 VanDerWaalsContact O-N 3.09Å; R79-A81 PolarHBondContact O-N 3.38Å; R79-L82 WeakPolarHBondContact O-CB 3.38Å; R79-L82 PolarHBondContact O-N 3.32Å; R79-F83 HydrophobicContact CG-CD1 4.41Å; R79-F83 HydrophobicContact CG-CE1 4.12Å; R79-F83 HydrophobicContact CG-CZ 4.37Å; R79-F83 WeakPolarHBondContact O-CD1 3.28Å; R79-F83 PolarHBondContact O-N 3.49Å; R79-F151 HydrophobicContact CB-CE1 4.49Å; R79-F151 VanDerWaalsContact CD-CD1 3.41Å
80	E	93.5	Very high	95.6	Very high	87 Å²	87	48.8 Å²	48.8	41%	0.407	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-43.3	176.5	-70.6	172.7	-167.5	0	0	112.4	M76 L82 F83 R84	M76-E80 PolarHBondContact O-N 2.99Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 2.91Å; E80-F83 PolarHBondContact O-N 3.35Å; E80-R84 WeakPolarHBondContact O-CB 3.45Å; E80-R84 WeakPolarHBondContact O-CG 3.24Å; E80-R84 PolarHBondContact O-N 3.06Å; E80-R84 PolarHBondContact O-NE 2.66Å
81	A	95.1	Very high	95.4	Very high	22 Å²	22	47.9 Å²	47.9	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-44.1	175.8	0	0	0	0	0	111.2	I46 S77 T78 R79 F83 R84 T85	I46-A81 HydrophobicContact CD1-CB 3.96Å; I46-A81 HydrophobicContact CG1-CB 4.42Å; S77-A81 VanDerWaalsContact O-CB 3.28Å; S77-A81 WeakPolarHBondContact O-CB 3.4Å; S77-A81 PolarHBondContact O-N 3.38Å; T78-A81 PolarHBondContact O-N 2.88Å; R79-A81 PolarHBondContact O-N 3.38Å; A81-F83 PolarHBondContact O-N 3.37Å; A81-R84 PolarHBondContact O-N 3.19Å; A81-T85 WeakPolarHBondContact O-CB 3.31Å; A81-T85 PolarHBondContact O-N 3.37Å; A81-T85 PolarHBondContact O-OG1 3.07Å; A81-T85 VanDerWaalsContact O-OG1 3.11Å
82	L	94.5	Very high	95.2	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-46.6	177	-179.3	60.3	0	0	0	111.4	I46 Y49 T78 R79 E80 R84 T85 R86 V135	I46-L82 HydrophobicContact CG2-CB 4.16Å; Y49-L82 HydrophobicContact CD1-CD2 3.97Å; Y49-L82 HydrophobicContact CE1-CD2 3.93Å; T78-L82 WeakPolarHBondContact O-CB 3.07Å; T78-L82 PolarHBondContact O-N 2.94Å; R79-L82 WeakPolarHBondContact O-CB 3.38Å; R79-L82 PolarHBondContact O-N 3.32Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 2.91Å; L82-R84 PolarHBondContact O-N 3.07Å; L82-T85 PolarHBondContact O-N 3.46Å; L82-R86 HydrophobicContact CD1-CG 4.34Å; L82-R86 WeakPolarHBondContact O-CB 3.49Å; L82-R86 VanDerWaalsContact O-CG 3.29Å; L82-R86 WeakPolarHBondContact O-CG 3.45Å; L82-R86 PolarHBondContact O-N 3.12Å; L82-V135 HydrophobicContact CD1-CG1 3.88Å; L82-V135 HydrophobicContact CD1-CG2 3.83Å
83	F	93	Very high	95.1	Very high	70 Å²	70	50.7 Å²	50.7	31%	0.307	23%	0.233	S	C	.	.	H	α-helix	trans	-63.9	-42.2	-179.5	-80.3	27.8	0	0	0	111.4	R79 E80 A81 R86 R87 Q258	R79-F83 HydrophobicContact CG-CD1 4.41Å; R79-F83 HydrophobicContact CG-CE1 4.12Å; R79-F83 HydrophobicContact CG-CZ 4.37Å; R79-F83 WeakPolarHBondContact O-CD1 3.28Å; R79-F83 PolarHBondContact O-N 3.49Å; E80-F83 PolarHBondContact O-N 3.35Å; A81-F83 PolarHBondContact O-N 3.37Å; F83-R86 PolarHBondContact O-N 2.92Å; F83-R87 PolarHBondContact O-N 2.89Å; F83-Q258 PolarHBondContact O-NE2 3.41Å
84	R	93.7	Very high	94.8	Very high	168 Å²	168	50.1 Å²	50.1	63%	0.634	23%	0.232	S	C	*	.	H	α-helix	trans	-62.1	-44.6	173.6	-74.3	-174.5	-67.8	158.8	-5.9	112.3	E80 A81 L82 R87 Q88	E80-R84 WeakPolarHBondContact O-CB 3.45Å; E80-R84 WeakPolarHBondContact O-CG 3.24Å; E80-R84 PolarHBondContact O-N 3.06Å; E80-R84 PolarHBondContact O-NE 2.66Å; A81-R84 PolarHBondContact O-N 3.19Å; L82-R84 PolarHBondContact O-N 3.07Å; R84-R87 PolarHBondContact O-N 3.48Å; R84-Q88 WeakPolarHBondContact O-CB 3.29Å; R84-Q88 PolarHBondContact O-N 3.04Å
85	T	95.4	Very high	94.5	Very high	29 Å²	29	49 Å²	49	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-42.6	176.5	-66.1	0	0	0	0	111.6	I46 A81 L82 R87 Q88 C89 L131 A134 V135	I46-T85 HydrophobicContact CD1-CG2 4.48Å; I46-T85 WeakPolarHBondContact CD1-OG1 3.4Å; A81-T85 WeakPolarHBondContact O-CB 3.31Å; A81-T85 PolarHBondContact O-N 3.37Å; A81-T85 PolarHBondContact O-OG1 3.07Å; A81-T85 VanDerWaalsContact O-OG1 3.11Å; L82-T85 PolarHBondContact O-N 3.46Å; T85-R87 PolarHBondContact O-N 2.96Å; T85-Q88 PolarHBondContact O-N 2.63Å; T85-C89 WeakPolarHBondContact O-CB 3.45Å; T85-C89 PolarHBondContact O-N 3.31Å; T85-C89 PolarHBondContact O-SG 3.38Å; T85-C89 VanDerWaalsContact O-SG 3.37Å; T85-L131 HydrophobicContact CG2-CD2 4.37Å; T85-A134 HydrophobicContact CG2-CB 3.7Å; T85-V135 HydrophobicContact CG2-CG2 4.01Å
86	R	95.1	Very high	94.1	Very high	20 Å²	20	50.1 Å²	50.1	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-45.5	175.9	-72.7	177.5	173.4	171	-1.9	111.6	L82 F83 Q88 C89 H90 L131 V261	L82-R86 HydrophobicContact CD1-CG 4.34Å; L82-R86 WeakPolarHBondContact O-CB 3.49Å; L82-R86 VanDerWaalsContact O-CG 3.29Å; L82-R86 WeakPolarHBondContact O-CG 3.45Å; L82-R86 PolarHBondContact O-N 3.12Å; F83-R86 PolarHBondContact O-N 2.92Å; R86-Q88 PolarHBondContact O-N 2.82Å; R86-C89 PolarHBondContact O-N 3.22Å; R86-H90 PolarHBondContact O-N 3.29Å; R86-L131 HydrophobicContact CG-CD2 4.1Å; R86-V261 HydrophobicContact CB-CB 4.16Å; R86-V261 HydrophobicContact CB-CG1 3.77Å; R86-V261 HydrophobicContact CG-CB 4.44Å; R86-V261 HydrophobicContact CG-CG1 3.79Å
87	R	94	Very high	93.2	Very high	75 Å²	75	50 Å²	50	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-59.4	-44.8	174.7	-176.1	-170	179.4	-155.6	3.4	112	F83 R84 T85 H90 K91 E254	F83-R87 PolarHBondContact O-N 2.89Å; R84-R87 PolarHBondContact O-N 3.48Å; T85-R87 PolarHBondContact O-N 2.96Å; R87-H90 WeakPolarHBondContact O-CB 3.39Å; R87-H90 PolarHBondContact O-N 2.72Å; R87-K91 VanDerWaalsContact CZ-NZ 3.29Å; R87-K91 WeakPolarHBondContact O-CG 3.44Å; R87-K91 PolarHBondContact O-N 2.98Å; R87-E254 WeakPolarHBondContact CD-OE1 2.83Å; R87-E254 IonicContact CZ-OE1 2.95Å; R87-E254 IonicContact NE-OE1 3.44Å; R87-E254 PolarHBondContact NE-OE1 3.02Å; R87-E254 IonicContact NH1-OE1 3.16Å; R87-E254 PolarHBondContact NH1-OE1 3.48Å; R87-E254 IonicContact NH2-OE1 2.79Å; R87-E254 PolarHBondContact NH2-OE1 3.28Å
88	Q	95.1	Very high	92.6	Very high	90 Å²	90	52.4 Å²	52.4	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-62.7	-44.6	178.3	-176.3	60.2	23.8	0	0	111.2	R84 T85 R86 H90 K91 E92	R84-Q88 WeakPolarHBondContact O-CB 3.29Å; R84-Q88 PolarHBondContact O-N 3.04Å; T85-Q88 PolarHBondContact O-N 2.63Å; R86-Q88 PolarHBondContact O-N 2.82Å; Q88-H90 PolarHBondContact O-N 2.97Å; Q88-K91 PolarHBondContact O-N 3.4Å; Q88-E92 WeakPolarHBondContact CG-OE1 3.39Å; Q88-E92 PolarHBondContact NE2-OE1 3.48Å; Q88-E92 WeakPolarHBondContact O-CG 3.29Å; Q88-E92 PolarHBondContact O-N 3.21Å
89	C	95.5	Very high	91.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-39.7	175.8	-70.1	0	0	0	0	112.7	T85 R86 E92 C93 C130 L131	T85-C89 WeakPolarHBondContact O-CB 3.45Å; T85-C89 PolarHBondContact O-N 3.31Å; T85-C89 PolarHBondContact O-SG 3.38Å; T85-C89 VanDerWaalsContact O-SG 3.37Å; R86-C89 PolarHBondContact O-N 3.22Å; C89-E92 PolarHBondContact O-N 3.35Å; C89-C93 WeakPolarHBondContact O-CB 3.34Å; C89-C93 PolarHBondContact O-N 3.16Å; C89-C93 PolarHBondContact O-SG 3.12Å; C89-C130 WeakPolarHBondContact CA-SG 3.42Å; C89-C130 HydrophobicContact CB-CB 3.71Å; C89-C130 WeakPolarHBondContact CB-SG 3.24Å; C89-C130 WeakPolarHBondContact SG-CB 3.45Å; C89-C130 PolarHBondContact SG-O 3.42Å; C89-C130 CovalentContact SG-SG 2.04Å; C89-C130 PolarHBondContact SG-SG 3.21Å; C89-L131 HydrophobicContact CB-CD2 4.48Å
90	H	95.1	Very high	90.9	Very high	36 Å²	36	55.7 Å²	55.7	17%	0.167	26%	0.263	C	S	.	.	H	α-helix	trans	-55.5	-54.4	171.8	173.9	80	0	0	0	110.3	R86 R87 Q88 E92 C93 V94 A257 E260 V261	R86-H90 PolarHBondContact O-N 3.29Å; R87-H90 WeakPolarHBondContact O-CB 3.39Å; R87-H90 PolarHBondContact O-N 2.72Å; Q88-H90 PolarHBondContact O-N 2.97Å; H90-E92 PolarHBondContact O-N 3.39Å; H90-C93 CarbonylContact O-C 3.55Å; H90-C93 PolarHBondContact O-N 2.9Å; H90-C93 VanDerWaalsContact O-N 3.14Å; H90-V94 WeakPolarHBondContact O-CG2 3.25Å; H90-V94 PolarHBondContact O-N 2.89Å; H90-A257 HydrophobicContact CB-CB 3.98Å; H90-E260 IonicContact CE1-OE1 2.65Å; H90-E260 PolarHBondContact CE1-OE1 2.89Å; H90-E260 IonicContact CE1-OE2 3.9Å; H90-E260 PolarHBondContact CE1-OE2 3.45Å; H90-E260 IonicContact ND1-OE2 3.23Å; H90-E260 PolarHBondContact ND1-OE2 3Å; H90-V261 HydrophobicContact CB-CG2 3.72Å
91	K	94.3	Very high	90	Very high	106 Å²	106	54.6 Å²	54.6	46%	0.461	26%	0.26	S	S	.	.	H	α-helix	trans	-58.8	-43.5	-179.6	-70.6	-179.3	-179.7	-176.8	0	113.4	R87 Q88 C93	R87-K91 VanDerWaalsContact CZ-NZ 3.29Å; R87-K91 WeakPolarHBondContact O-CG 3.44Å; R87-K91 PolarHBondContact O-N 2.98Å; Q88-K91 PolarHBondContact O-N 3.4Å; K91-C93 VanDerWaalsContact C-N 3.32Å
92	E	94.4	Very high	89.1	Confident	84 Å²	84	57.7 Å²	57.7	39%	0.393	28%	0.278	S	S	.	.	H	α-helix	trans	-67.2	-32.8	178.4	-73.7	177.4	-160	0	0	112.4	Q88 C89 H90 R133	Q88-E92 WeakPolarHBondContact CG-OE1 3.39Å; Q88-E92 PolarHBondContact NE2-OE1 3.48Å; Q88-E92 WeakPolarHBondContact O-CG 3.29Å; Q88-E92 PolarHBondContact O-N 3.21Å; C89-E92 PolarHBondContact O-N 3.35Å; H90-E92 PolarHBondContact O-N 3.39Å; E92-R133 IonicContact OE1-NH2 3.76Å; E92-R133 PolarHBondContact OE1-NH2 3.1Å; E92-R133 IonicContact OE2-CZ 2.8Å; E92-R133 IonicContact OE2-NH1 3.9Å; E92-R133 PolarHBondContact OE2-NH1 3.3Å; E92-R133 IonicContact OE2-NH2 3.75Å; E92-R133 PolarHBondContact OE2-NH2 3.4Å
93	C	94.6	Very high	88	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-98.5	-10.7	-174.4	-65.1	0	0	0	0	114.8	C89 H90 K91 P95 A96 C126 V127	C89-C93 WeakPolarHBondContact O-CB 3.34Å; C89-C93 PolarHBondContact O-N 3.16Å; C89-C93 PolarHBondContact O-SG 3.12Å; H90-C93 CarbonylContact O-C 3.55Å; H90-C93 PolarHBondContact O-N 2.9Å; H90-C93 VanDerWaalsContact O-N 3.14Å; K91-C93 VanDerWaalsContact C-N 3.32Å; C93-P95 VanDerWaalsContact C-N 3.35Å; C93-A96 WeakPolarHBondContact O-CB 3.41Å; C93-A96 PolarHBondContact O-N 2.89Å; C93-C126 WeakPolarHBondContact CA-SG 3.42Å; C93-C126 HydrophobicContact CB-CB 3.72Å; C93-C126 WeakPolarHBondContact CB-SG 3.13Å; C93-C126 WeakPolarHBondContact SG-CB 3.29Å; C93-C126 PolarHBondContact SG-O 3.32Å; C93-C126 VanDerWaalsContact SG-O 3.41Å; C93-C126 CovalentContact SG-SG 2.05Å; C93-C126 PolarHBondContact SG-SG 2.83Å; C93-V127 HydrophobicContact CB-CG2 3.79Å; C93-V127 PolarHBondContact SG-N 2.95Å; C93-V127 VanDerWaalsContact SG-N 3.4Å
94	V	90.7	Very high	86.8	Confident	31 Å²	31	61 Å²	61	19%	0.188	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-48	173.8	157.6	0	0	0	0	111.4	H90 A96 Y98	H90-V94 WeakPolarHBondContact O-CG2 3.25Å; H90-V94 PolarHBondContact O-N 2.89Å; V94-A96 PolarHBondContact O-N 2.96Å; V94-Y98 HydrophobicContact CG1-CE1 4.44Å; V94-Y98 HydrophobicContact CG1-CE2 4.35Å; V94-Y98 WeakPolarHBondContact CG1-OH 3.41Å; V94-Y98 VanDerWaalsContact O-CD1 3.26Å; V94-Y98 WeakPolarHBondContact O-CD1 3.41Å; V94-Y98 WeakPolarHBondContact O-CE1 3.43Å
95	P	90.7	Very high	85.4	Confident	75 Å²	75	60.1 Å²	60.1	49%	0.487	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.5	178.7	-19.8	33.8	0	0	0	115	C93 G97 Y98	C93-P95 VanDerWaalsContact C-N 3.35Å; P95-G97 PolarHBondContact O-N 3.46Å; P95-Y98 WeakPolarHBondContact O-CB 3.27Å; P95-Y98 PolarHBondContact O-N 2.8Å
96	A	88.5	Confident	84.1	Confident	23 Å²	23	62.1 Å²	62.1	19%	0.19	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	120.6	-175.9	0	0	0	0	0	110.5	C93 V94 Y98 C126	C93-A96 WeakPolarHBondContact O-CB 3.41Å; C93-A96 PolarHBondContact O-N 2.89Å; V94-A96 PolarHBondContact O-N 2.96Å; A96-Y98 VanDerWaalsContact C-N 3.32Å; A96-C126 HydrophobicContact CB-CB 4.05Å
97	G	78	Confident	82.2	Confident	6 Å²	6	70.7 Å²	70.7	6%	0.062	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	8.3	-177.9	0	0	0	0	0	115	P95 D99 R100	P95-G97 PolarHBondContact O-N 3.46Å; G97-D99 WeakPolarHBondContact CA-OD1 3.31Å; G97-D99 PolarHBondContact O-N 2.74Å; G97-R100 VanDerWaalsContact O-CB 3.28Å; G97-R100 WeakPolarHBondContact O-CB 3.38Å; G97-R100 WeakPolarHBondContact O-CG 3.49Å; G97-R100 PolarHBondContact O-N 3.41Å
98	Y	82.9	Confident	80.5	Confident	106 Å²	106	75.8 Å²	75.8	42%	0.416	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-61.4	-26	175.3	-86.8	21.4	0	0	0	113.3	V94 P95 A96 R100 L101 P102	V94-Y98 HydrophobicContact CG1-CE1 4.44Å; V94-Y98 HydrophobicContact CG1-CE2 4.35Å; V94-Y98 WeakPolarHBondContact CG1-OH 3.41Å; V94-Y98 VanDerWaalsContact O-CD1 3.26Å; V94-Y98 WeakPolarHBondContact O-CD1 3.41Å; V94-Y98 WeakPolarHBondContact O-CE1 3.43Å; P95-Y98 WeakPolarHBondContact O-CB 3.27Å; P95-Y98 PolarHBondContact O-N 2.8Å; A96-Y98 VanDerWaalsContact C-N 3.32Å; Y98-R100 PolarHBondContact O-N 3.25Å; Y98-L101 HydrophobicContact CD1-CD1 3.7Å; Y98-L101 HydrophobicContact CE1-CD1 3.96Å; Y98-L101 HydrophobicContact CG-CD1 4.01Å; Y98-L101 PolarHBondContact O-N 3.49Å; Y98-L101 VanDerWaalsContact O-N 3.09Å; Y98-P102 WeakPolarHBondContact O-CD 3.4Å
99	D	78.1	Confident	78.7	Confident	84 Å²	84	73.9 Å²	73.9	45%	0.449	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-61.7	-12.1	172.8	67.1	-49.6	0	0	0	113.5	G97	G97-D99 WeakPolarHBondContact CA-OD1 3.31Å; G97-D99 PolarHBondContact O-N 2.74Å
100	R	76.5	Confident	77.3	Confident	53 Å²	53	81.3 Å²	81.3	20%	0.2	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-92.8	-25.6	175.8	-50.9	-64.3	141.4	158.8	0.1	113.1	G97 Y98 K103 L104 D118	G97-R100 VanDerWaalsContact O-CB 3.28Å; G97-R100 WeakPolarHBondContact O-CB 3.38Å; G97-R100 WeakPolarHBondContact O-CG 3.49Å; G97-R100 PolarHBondContact O-N 3.41Å; Y98-R100 PolarHBondContact O-N 3.25Å; R100-K103 WeakPolarHBondContact O-CB 3.5Å; R100-K103 PolarHBondContact O-N 3.24Å; R100-L104 PolarHBondContact O-N 3.01Å; R100-D118 VanDerWaalsContact CD-OD2 3.29Å; R100-D118 WeakPolarHBondContact CD-OD2 3.27Å; R100-D118 IonicContact CZ-OD2 3.01Å; R100-D118 IonicContact NE-OD2 2.8Å; R100-D118 IonicContact NH1-OD2 2.76Å
101	L	75.1	Confident	76.5	Confident	65 Å²	65	82 Å²	82	34%	0.34	43%	0.431	S	S	.	.	H	α-helix	trans	-57	-46.2	-178.2	-66.2	174.1	0	0	0	113	Y98 K103 L104	Y98-L101 HydrophobicContact CD1-CD1 3.7Å; Y98-L101 HydrophobicContact CE1-CD1 3.96Å; Y98-L101 HydrophobicContact CG-CD1 4.01Å; Y98-L101 PolarHBondContact O-N 3.49Å; Y98-L101 VanDerWaalsContact O-N 3.09Å; L101-K103 PolarHBondContact O-N 2.98Å; L101-L104 HydrophobicContact CD2-CD1 3.94Å; L101-L104 WeakPolarHBondContact O-CB 3.46Å; L101-L104 PolarHBondContact O-N 3.48Å; L101-L104 VanDerWaalsContact O-N 3.07Å
102	P	76	Confident	75.9	Confident	87 Å²	87	84.3 Å²	84.3	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-62.6	-18.9	176.7	-23.5	34.4	0	0	0	114.3	Y98	Y98-P102 WeakPolarHBondContact O-CD 3.4Å
103	K	72.1	Confident	75.3	Confident	82 Å²	82	84 Å²	84	36%	0.357	44%	0.438	S	S	.	.	H	α-helix	trans	-83.6	-21.7	179	-58.7	178.9	-177.3	172.3	0	112.2	R100 L101 D105 T106 W115	R100-K103 WeakPolarHBondContact O-CB 3.5Å; R100-K103 PolarHBondContact O-N 3.24Å; L101-K103 PolarHBondContact O-N 2.98Å; K103-D105 VanDerWaalsContact C-N 3.27Å; K103-T106 PolarHBondContact O-N 3.44Å; K103-T106 PolarHBondContact O-OG1 3.27Å; K103-W115 HydrophobicContact CB-CD2 4.43Å
104	L	68.1	Low	74.9	Confident	59 Å²	59	88.9 Å²	88.9	31%	0.309	46%	0.463	S	S	.	.	H	α-helix	trans	-66.1	-32.7	171.4	-77.9	133	0	0	0	111.6	R100 L101 T106 W112 A116	R100-L104 PolarHBondContact O-N 3.01Å; L101-L104 HydrophobicContact CD2-CD1 3.94Å; L101-L104 WeakPolarHBondContact O-CB 3.46Å; L101-L104 PolarHBondContact O-N 3.48Å; L101-L104 VanDerWaalsContact O-N 3.07Å; L104-T106 VanDerWaalsContact C-N 3.33Å; L104-W112 HydrophobicContact CD2-CB 4.46Å; L104-W112 HydrophobicContact CD2-CE3 4.35Å; L104-A116 HydrophobicContact CD2-CB 4.25Å
105	D	64.3	Low	74.6	Confident	150 Å²	150	90.2 Å²	90.2	80%	0.802	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.9	177.2	-81.5	-21.2	0	0	0	114.1	K103	K103-D105 VanDerWaalsContact C-N 3.27Å
106	T	66.5	Low	74.4	Confident	70 Å²	70	88 Å²	88	43%	0.429	45%	0.453	S	S	.	.			trans	-81.1	125	179.2	57.8	0	0	0	0	111.9	K103 L104 K108	K103-T106 PolarHBondContact O-N 3.44Å; K103-T106 PolarHBondContact O-OG1 3.27Å; L104-T106 VanDerWaalsContact C-N 3.33Å; T106-K108 PolarHBondContact O-N 3.24Å
107	E	56.3	Low	74.4	Confident	201 Å²	201	90.4 Å²	90.4	94%	0.939	47%	0.465	S	S	*	.	S	Bend	trans	-57.9	-3.9	178.5	-67.4	-176.1	155.9	0	0	115.2	G109	E107-G109 PolarHBondContact O-N 3.25Å
108	K	57.8	Low	74.8	Confident	182 Å²	182	91.9 Å²	91.9	79%	0.791	47%	0.471	S	S	*	.			trans	-79.7	63.9	173.6	-67.3	-172.3	179.8	-179.2	0	110.4	T106 N110	T106-K108 PolarHBondContact O-N 3.24Å; K108-N110 PolarHBondContact O-N 3.02Å
109	G	57.8	Low	75.2	Confident	50 Å²	50	90.2 Å²	90.2	52%	0.515	46%	0.464	S	S	.	.			trans	-76.1	71.9	-168.1	0	0	0	0	0	116.7	E107	E107-G109 PolarHBondContact O-N 3.25Å
110	N	65.1	Low	75.8	Confident	157 Å²	157	90.2 Å²	90.2	84%	0.84	47%	0.467	S	S	*	.	S	Bend	trans	-126.4	-1.8	168.9	-99.9	-1.2	0	0	0	115.9	K108	K108-N110 PolarHBondContact O-N 3.02Å
111	V	78.1	Confident	76.5	Confident	50 Å²	50	93.6 Å²	93.6	30%	0.303	49%	0.485	S	S	.	.	S	Bend	trans	-149.2	21.5	-174.4	-143.3	0	0	0	0	115.1	D113 L114 W115	V111-D113 VanDerWaalsContact C-N 3.27Å; V111-D113 WeakPolarHBondContact CA-OD1 3.42Å; V111-D113 PolarHBondContact O-N 2.89Å; V111-L114 HydrophobicContact CG1-CB 3.63Å; V111-L114 HydrophobicContact CG1-CD1 3.34Å; V111-L114 HydrophobicContact CG1-CG 3.55Å; V111-L114 PolarHBondContact O-N 3.19Å; V111-L114 VanDerWaalsContact O-N 3.09Å; V111-W115 HydrophobicContact CB-CD2 4.48Å; V111-W115 HydrophobicContact CB-CE3 4.39Å; V111-W115 HydrophobicContact CB-CH2 3.24Å; V111-W115 HydrophobicContact CB-CZ2 3.48Å; V111-W115 VanDerWaalsContact CB-CZ2 3.48Å; V111-W115 HydrophobicContact CB-CZ3 3.75Å; V111-W115 HydrophobicContact CG1-CZ2 4.41Å; V111-W115 HydrophobicContact CG2-CH2 3.47Å; V111-W115 VanDerWaalsContact CG2-CH2 3.47Å; V111-W115 HydrophobicContact CG2-CZ2 3.76Å; V111-W115 HydrophobicContact CG2-CZ3 4.36Å; V111-W115 WeakPolarHBondContact O-CZ3 3.47Å; V111-W115 PolarHBondContact O-N 2.89Å
112	W	81.3	Confident	77.3	Confident	155 Å²	155	95.3 Å²	95.3	59%	0.587	49%	0.487	S	S	*	.	H	α-helix	trans	-63.3	-32.6	-174.9	70.1	-94.4	0	0	0	113.9	L104 W115 A116	L104-W112 HydrophobicContact CD2-CB 4.46Å; L104-W112 HydrophobicContact CD2-CE3 4.35Å; W112-W115 HydrophobicContact CB-CE3 4.05Å; W112-W115 HydrophobicContact CB-CZ3 4.23Å; W112-W115 PolarHBondContact O-N 3.22Å; W112-A116 PolarHBondContact O-N 3.33Å
113	D	82.6	Confident	78.1	Confident	78 Å²	78	93.4 Å²	93.4	42%	0.417	47%	0.469	S	S	.	.	H	α-helix	trans	-58.7	-45.5	171.5	60.5	-32.1	0	0	0	111.4	V111 W115 A116 V117	V111-D113 VanDerWaalsContact C-N 3.27Å; V111-D113 WeakPolarHBondContact CA-OD1 3.42Å; V111-D113 PolarHBondContact O-N 2.89Å; D113-W115 PolarHBondContact O-N 3Å; D113-A116 PolarHBondContact O-N 2.93Å; D113-V117 WeakPolarHBondContact O-CG2 3.16Å; D113-V117 PolarHBondContact O-N 3.31Å
114	L	85.6	Confident	79.1	Confident	103 Å²	103	92.2 Å²	92.2	54%	0.539	47%	0.474	S	S	.	.	H	α-helix	trans	-68.9	-33.6	177.3	-60	-168.9	0	0	0	112.3	V111 V117 D118	V111-L114 HydrophobicContact CG1-CB 3.63Å; V111-L114 HydrophobicContact CG1-CD1 3.34Å; V111-L114 HydrophobicContact CG1-CG 3.55Å; V111-L114 PolarHBondContact O-N 3.19Å; V111-L114 VanDerWaalsContact O-N 3.09Å; L114-V117 PolarHBondContact O-N 3.05Å; L114-D118 VanDerWaalsContact O-CB 3.3Å; L114-D118 WeakPolarHBondContact O-CB 3.41Å; L114-D118 PolarHBondContact O-N 3.16Å
115	W	85.4	Confident	80.4	Confident	59 Å²	59	96 Å²	96	22%	0.223	49%	0.49	C	S	.	.	H	α-helix	trans	-68.5	-37	174.2	-63.1	-53.7	0	0	0	112.2	K103 V111 W112 D113 W119	K103-W115 HydrophobicContact CB-CD2 4.43Å; V111-W115 HydrophobicContact CB-CD2 4.48Å; V111-W115 HydrophobicContact CB-CE3 4.39Å; V111-W115 HydrophobicContact CB-CH2 3.24Å; V111-W115 HydrophobicContact CB-CZ2 3.48Å; V111-W115 VanDerWaalsContact CB-CZ2 3.48Å; V111-W115 HydrophobicContact CB-CZ3 3.75Å; V111-W115 HydrophobicContact CG1-CZ2 4.41Å; V111-W115 HydrophobicContact CG2-CH2 3.47Å; V111-W115 VanDerWaalsContact CG2-CH2 3.47Å; V111-W115 HydrophobicContact CG2-CZ2 3.76Å; V111-W115 HydrophobicContact CG2-CZ3 4.36Å; V111-W115 WeakPolarHBondContact O-CZ3 3.47Å; V111-W115 PolarHBondContact O-N 2.89Å; W112-W115 HydrophobicContact CB-CE3 4.05Å; W112-W115 HydrophobicContact CB-CZ3 4.23Å; W112-W115 PolarHBondContact O-N 3.22Å; D113-W115 PolarHBondContact O-N 3Å; W115-W119 WeakPolarHBondContact O-CB 3.48Å; W115-W119 PolarHBondContact O-N 2.88Å
116	A	85.5	Confident	81.9	Confident	28 Å²	28	90.6 Å²	90.6	23%	0.231	46%	0.464	C	S	.	.	H	α-helix	trans	-64.7	-44.7	173.2	0	0	0	0	0	111.6	L104 W112 D113 W119 V120	L104-A116 HydrophobicContact CD2-CB 4.25Å; W112-A116 PolarHBondContact O-N 3.33Å; D113-A116 PolarHBondContact O-N 2.93Å; A116-W119 WeakPolarHBondContact O-CB 3.33Å; A116-W119 PolarHBondContact O-N 3.36Å; A116-V120 WeakPolarHBondContact O-CG2 3.39Å; A116-V120 PolarHBondContact O-N 3.19Å
117	V	88.6	Confident	83.1	Confident	74 Å²	74	88.4 Å²	88.4	45%	0.448	45%	0.45	S	S	.	.	H	α-helix	trans	-66.2	-41.7	177.4	174.5	0	0	0	0	111.5	D113 L114 W119 V120 Q121	D113-V117 WeakPolarHBondContact O-CG2 3.16Å; D113-V117 PolarHBondContact O-N 3.31Å; L114-V117 PolarHBondContact O-N 3.05Å; V117-W119 VanDerWaalsContact C-N 3.33Å; V117-W119 PolarHBondContact O-N 2.94Å; V117-V120 PolarHBondContact O-N 3.03Å; V117-Q121 HydrophobicContact CG1-CG 4.29Å; V117-Q121 WeakPolarHBondContact O-CB 3.27Å; V117-Q121 VanDerWaalsContact O-CG 3.26Å; V117-Q121 WeakPolarHBondContact O-CG 3.47Å; V117-Q121 PolarHBondContact O-N 3.42Å
118	D	88	Confident	84.9	Confident	36 Å²	36	88.2 Å²	88.2	19%	0.193	44%	0.441	C	S	.	.	H	α-helix	trans	-60.2	-42.1	173.9	179.3	42.1	0	0	0	111.2	R100 L114 Q121 R122	R100-D118 VanDerWaalsContact CD-OD2 3.29Å; R100-D118 WeakPolarHBondContact CD-OD2 3.27Å; R100-D118 IonicContact CZ-OD2 3.01Å; R100-D118 IonicContact NE-OD2 2.8Å; R100-D118 IonicContact NH1-OD2 2.76Å; L114-D118 VanDerWaalsContact O-CB 3.3Å; L114-D118 WeakPolarHBondContact O-CB 3.41Å; L114-D118 PolarHBondContact O-N 3.16Å; D118-Q121 PolarHBondContact O-N 2.91Å; D118-R122 WeakPolarHBondContact O-CB 3.49Å; D118-R122 VanDerWaalsContact O-CG 3.32Å; D118-R122 WeakPolarHBondContact O-CG 3.41Å; D118-R122 PolarHBondContact O-N 2.8Å; D118-R122 IonicContact OD1-CZ 3.39Å; D118-R122 IonicContact OD1-NE 3.69Å; D118-R122 PolarHBondContact OD1-NE 2.81Å; D118-R122 IonicContact OD1-NH2 3.39Å; D118-R122 IonicContact OD2-NE 3.57Å; D118-R122 PolarHBondContact OD2-NE 3.48Å
119	W	89.7	Confident	86.7	Confident	72 Å²	72	86.8 Å²	86.8	27%	0.273	44%	0.435	S	S	.	.	H	α-helix	trans	-59.3	-49	175.2	169.7	61.4	0	0	0	112	W115 A116 V117 Q121 R122 R123	W115-W119 WeakPolarHBondContact O-CB 3.48Å; W115-W119 PolarHBondContact O-N 2.88Å; A116-W119 WeakPolarHBondContact O-CB 3.33Å; A116-W119 PolarHBondContact O-N 3.36Å; V117-W119 VanDerWaalsContact C-N 3.33Å; V117-W119 PolarHBondContact O-N 2.94Å; W119-Q121 PolarHBondContact O-N 3.05Å; W119-R122 PolarHBondContact O-N 2.73Å; W119-R123 PolarHBondContact O-N 3.44Å
120	V	90.5	Very high	88.4	Confident	84 Å²	84	84.6 Å²	84.6	51%	0.509	41%	0.412	S	S	.	.	H	α-helix	trans	-61.7	-44.2	177.3	173.6	0	0	0	0	111.2	A116 V117 R123 A124	A116-V120 WeakPolarHBondContact O-CG2 3.39Å; A116-V120 PolarHBondContact O-N 3.19Å; V117-V120 PolarHBondContact O-N 3.03Å; V120-R123 PolarHBondContact O-N 2.85Å; V120-A124 VanDerWaalsContact O-CB 3.32Å; V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.3Å
121	Q	92.1	Very high	89.8	Confident	123 Å²	123	77.7 Å²	77.7	58%	0.575	38%	0.375	S	S	*	.	H	α-helix	trans	-62.3	-44.6	179.8	-74.7	177.1	2.9	0	0	112.3	V117 D118 W119 A124 E125	V117-Q121 HydrophobicContact CG1-CG 4.29Å; V117-Q121 WeakPolarHBondContact O-CB 3.27Å; V117-Q121 VanDerWaalsContact O-CG 3.26Å; V117-Q121 WeakPolarHBondContact O-CG 3.47Å; V117-Q121 PolarHBondContact O-N 3.42Å; D118-Q121 PolarHBondContact O-N 2.91Å; W119-Q121 PolarHBondContact O-N 3.05Å; Q121-A124 PolarHBondContact O-N 2.98Å; Q121-E125 WeakPolarHBondContact O-CB 3.38Å; Q121-E125 PolarHBondContact O-N 3.41Å
122	R	92.7	Very high	90.6	Very high	102 Å²	102	77.2 Å²	77.2	39%	0.385	38%	0.38	S	S	.	.	H	α-helix	trans	-64.2	-41.6	177.4	-73.8	176.8	179.6	-83.8	-8.2	112.3	D118 W119 C126	D118-R122 WeakPolarHBondContact O-CB 3.49Å; D118-R122 VanDerWaalsContact O-CG 3.32Å; D118-R122 WeakPolarHBondContact O-CG 3.41Å; D118-R122 PolarHBondContact O-N 2.8Å; D118-R122 IonicContact OD1-CZ 3.39Å; D118-R122 IonicContact OD1-NE 3.69Å; D118-R122 PolarHBondContact OD1-NE 2.81Å; D118-R122 IonicContact OD1-NH2 3.39Å; D118-R122 IonicContact OD2-NE 3.57Å; D118-R122 PolarHBondContact OD2-NE 3.48Å; W119-R122 PolarHBondContact O-N 2.73Å; R122-C126 WeakPolarHBondContact O-CB 3.43Å; R122-C126 PolarHBondContact O-N 3.26Å
123	R	92.3	Very high	91.2	Very high	46 Å²	46	76.1 Å²	76.1	17%	0.174	38%	0.376	C	S	.	.	H	α-helix	trans	-64.4	-44	176	-168.4	170.5	-177.5	158.9	0.1	111	W119 V120 C126 V127 E260	W119-R123 PolarHBondContact O-N 3.44Å; V120-R123 PolarHBondContact O-N 2.85Å; R123-C126 PolarHBondContact O-N 3.35Å; R123-V127 WeakPolarHBondContact O-CG2 3.47Å; R123-V127 PolarHBondContact O-N 3.43Å; R123-E260 IonicContact CZ-OE2 3.18Å; R123-E260 IonicContact NE-OE2 2.82Å; R123-E260 IonicContact NH2-OE1 2.71Å; R123-E260 PolarHBondContact NH2-OE1 2.86Å; R123-E260 IonicContact NH2-OE2 2.75Å; R123-E260 PolarHBondContact NH2-OE2 2.94Å
124	A	92.5	Very high	91.7	Very high	57 Å²	57	73.5 Å²	73.5	47%	0.471	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-43.5	177.2	0	0	0	0	0	112.7	V120 Q121 V127 R128	V120-A124 VanDerWaalsContact O-CB 3.32Å; V120-A124 WeakPolarHBondContact O-CB 3.47Å; V120-A124 PolarHBondContact O-N 3.3Å; Q121-A124 PolarHBondContact O-N 2.98Å; A124-V127 PolarHBondContact O-N 3.07Å; A124-R128 VanDerWaalsContact O-CB 3.26Å; A124-R128 WeakPolarHBondContact O-CB 3.49Å; A124-R128 PolarHBondContact O-N 2.85Å
125	E	95.1	Very high	92.2	Very high	138 Å²	138	68.7 Å²	68.7	65%	0.645	34%	0.34	S	S	*	.	H	α-helix	trans	-59.2	-48.4	174.6	-176	-167.5	-163.6	0	0	111	Q121 V127 R128 F129	Q121-E125 WeakPolarHBondContact O-CB 3.38Å; Q121-E125 PolarHBondContact O-N 3.41Å; E125-V127 PolarHBondContact O-N 3.36Å; E125-R128 PolarHBondContact O-N 3.15Å; E125-F129 WeakPolarHBondContact O-CB 3.41Å; E125-F129 PolarHBondContact O-N 3.17Å
126	C	95.6	Very high	92.6	Very high	38 Å²	38	66.8 Å²	66.8	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-58.2	-50.2	178.9	-178.1	0	0	0	0	111.6	C93 A96 R122 R123 R128 F129 C130	C93-C126 WeakPolarHBondContact CA-SG 3.42Å; C93-C126 HydrophobicContact CB-CB 3.72Å; C93-C126 WeakPolarHBondContact CB-SG 3.13Å; C93-C126 WeakPolarHBondContact SG-CB 3.29Å; C93-C126 PolarHBondContact SG-O 3.32Å; C93-C126 VanDerWaalsContact SG-O 3.41Å; C93-C126 CovalentContact SG-SG 2.05Å; C93-C126 PolarHBondContact SG-SG 2.83Å; A96-C126 HydrophobicContact CB-CB 4.05Å; R122-C126 WeakPolarHBondContact O-CB 3.43Å; R122-C126 PolarHBondContact O-N 3.26Å; R123-C126 PolarHBondContact O-N 3.35Å; C126-R128 PolarHBondContact O-N 3.23Å; C126-F129 PolarHBondContact O-N 3.06Å; C126-C130 VanDerWaalsContact O-CB 3.31Å; C126-C130 WeakPolarHBondContact O-CB 3.48Å; C126-C130 PolarHBondContact O-N 2.91Å
127	V	93.7	Very high	92.9	Very high	23 Å²	23	70.5 Å²	70.5	14%	0.139	36%	0.357	C	S	.	.	H	α-helix	trans	-62.2	-45.1	-179.4	171	0	0	0	0	110.7	C93 R123 A124 E125 F129 C130 L131 V261	C93-V127 HydrophobicContact CB-CG2 3.79Å; C93-V127 PolarHBondContact SG-N 2.95Å; C93-V127 VanDerWaalsContact SG-N 3.4Å; R123-V127 WeakPolarHBondContact O-CG2 3.47Å; R123-V127 PolarHBondContact O-N 3.43Å; A124-V127 PolarHBondContact O-N 3.07Å; E125-V127 PolarHBondContact O-N 3.36Å; V127-F129 PolarHBondContact O-N 3.01Å; V127-C130 PolarHBondContact O-N 2.85Å; V127-L131 HydrophobicContact CG1-CD1 3.98Å; V127-L131 HydrophobicContact CG1-CG 4.39Å; V127-L131 WeakPolarHBondContact O-CB 3.28Å; V127-L131 WeakPolarHBondContact O-CG 3.16Å; V127-L131 PolarHBondContact O-N 3.16Å; V127-V261 HydrophobicContact CG1-CG1 3.91Å; V127-V261 HydrophobicContact CG1-CG2 4.42Å
128	R	92.9	Very high	92.9	Very high	198 Å²	198	69.7 Å²	69.7	75%	0.747	36%	0.358	S	S	*	.	H	α-helix	trans	-59.6	-44.7	177.5	179.1	179.4	168.7	-178.4	-3.3	111.9	A124 E125 C126 G132	A124-R128 VanDerWaalsContact O-CB 3.26Å; A124-R128 WeakPolarHBondContact O-CB 3.49Å; A124-R128 PolarHBondContact O-N 2.85Å; E125-R128 PolarHBondContact O-N 3.15Å; C126-R128 PolarHBondContact O-N 3.23Å; R128-G132 PolarHBondContact O-N 2.64Å
129	F	94.9	Very high	93	Very high	152 Å²	152	68.2 Å²	68.2	67%	0.667	35%	0.351	S	S	*	.	H	α-helix	trans	-66.4	-45.3	177.7	-178.7	-96.4	0	0	0	111.7	E125 C126 V127 L131 G132 R133	E125-F129 WeakPolarHBondContact O-CB 3.41Å; E125-F129 PolarHBondContact O-N 3.17Å; C126-F129 PolarHBondContact O-N 3.06Å; V127-F129 PolarHBondContact O-N 3.01Å; F129-L131 PolarHBondContact O-N 3.21Å; F129-G132 PolarHBondContact O-N 2.8Å; F129-R133 PolarHBondContact O-N 2.83Å; F129-R133 VanDerWaalsContact O-N 3.1Å
130	C	95.1	Very high	93	Very high	4 Å²	4	67 Å²	67	3%	0.027	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-39.8	-179.9	-176.1	0	0	0	0	112.7	C89 C126 V127 R133	C89-C130 WeakPolarHBondContact CA-SG 3.42Å; C89-C130 HydrophobicContact CB-CB 3.71Å; C89-C130 WeakPolarHBondContact CB-SG 3.24Å; C89-C130 WeakPolarHBondContact SG-CB 3.45Å; C89-C130 PolarHBondContact SG-O 3.42Å; C89-C130 CovalentContact SG-SG 2.04Å; C89-C130 PolarHBondContact SG-SG 3.21Å; C126-C130 VanDerWaalsContact O-CB 3.31Å; C126-C130 WeakPolarHBondContact O-CB 3.48Å; C126-C130 PolarHBondContact O-N 2.91Å; V127-C130 PolarHBondContact O-N 2.85Å; C130-R133 WeakPolarHBondContact O-CG 3.45Å; C130-R133 PolarHBondContact SG-NH2 3.32Å
131	L	94.4	Very high	92.9	Very high	11 Å²	11	68.1 Å²	68.1	6%	0.058	35%	0.351	C	S	.	.	H	α-helix	trans	-72.3	-41.3	173.4	-68.8	177.2	0	0	0	111.5	T85 R86 C89 V127 F129 R133 A134 V135 V261	T85-L131 HydrophobicContact CG2-CD2 4.37Å; R86-L131 HydrophobicContact CG-CD2 4.1Å; C89-L131 HydrophobicContact CB-CD2 4.48Å; V127-L131 HydrophobicContact CG1-CD1 3.98Å; V127-L131 HydrophobicContact CG1-CG 4.39Å; V127-L131 WeakPolarHBondContact O-CB 3.28Å; V127-L131 WeakPolarHBondContact O-CG 3.16Å; V127-L131 PolarHBondContact O-N 3.16Å; F129-L131 PolarHBondContact O-N 3.21Å; L131-R133 PolarHBondContact O-N 3.27Å; L131-A134 PolarHBondContact O-N 3.03Å; L131-V135 HydrophobicContact CD2-CG2 4.23Å; L131-V135 PolarHBondContact O-N 3.43Å; L131-V261 HydrophobicContact CD1-CG1 3.77Å; L131-V261 HydrophobicContact CD2-CG1 3.98Å; L131-V261 HydrophobicContact CG-CG1 4.13Å
132	G	93.6	Very high	92.6	Very high	40 Å²	40	64.5 Å²	64.5	41%	0.412	34%	0.338	S	S	.	.	H	α-helix	trans	-59.5	-28.2	180	0	0	0	0	0	114.7	R128 F129	R128-G132 PolarHBondContact O-N 2.64Å; F129-G132 PolarHBondContact O-N 2.8Å
133	R	94.1	Very high	92.4	Very high	132 Å²	132	60.6 Å²	60.6	50%	0.498	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.9	175.6	64	164.7	-168.1	-161.4	1.9	114.5	L45 E92 F129 C130 L131	L45-R133 WeakPolarHBondContact CD2-O 3.3Å; E92-R133 IonicContact OE1-NH2 3.76Å; E92-R133 PolarHBondContact OE1-NH2 3.1Å; E92-R133 IonicContact OE2-CZ 2.8Å; E92-R133 IonicContact OE2-NH1 3.9Å; E92-R133 PolarHBondContact OE2-NH1 3.3Å; E92-R133 IonicContact OE2-NH2 3.75Å; E92-R133 PolarHBondContact OE2-NH2 3.4Å; F129-R133 PolarHBondContact O-N 2.83Å; F129-R133 VanDerWaalsContact O-N 3.1Å; C130-R133 WeakPolarHBondContact O-CG 3.45Å; C130-R133 PolarHBondContact SG-NH2 3.32Å; L131-R133 PolarHBondContact O-N 3.27Å
134	A	93.9	Very high	92	Very high	24 Å²	24	60.1 Å²	60.1	20%	0.198	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-22	-167.7	0	0	0	0	0	113.8	L45 I46 T85 L131	L45-A134 CarbonylContact C-O 3.6Å; L45-A134 WeakPolarHBondContact CA-O 3.26Å; I46-A134 PolarHBondContact N-O 2.85Å; T85-A134 HydrophobicContact CG2-CB 3.7Å; L131-A134 PolarHBondContact O-N 3.03Å
135	V	95.3	Very high	91.5	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.006	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-126.5	131.8	-173.9	-168.8	0	0	0	0	109.8	I46 L82 T85 L131 Q140	I46-V135 HydrophobicContact CB-CG1 4.38Å; I46-V135 HydrophobicContact CB-CG2 4.33Å; I46-V135 HydrophobicContact CD1-CG2 4.47Å; L82-V135 HydrophobicContact CD1-CG1 3.88Å; L82-V135 HydrophobicContact CD1-CG2 3.83Å; T85-V135 HydrophobicContact CG2-CG2 4.01Å; L131-V135 HydrophobicContact CD2-CG2 4.23Å; L131-V135 PolarHBondContact O-N 3.43Å; V135-Q140 HydrophobicContact CB-CG 3.91Å; V135-Q140 HydrophobicContact CG1-CG 3.79Å; V135-Q140 PolarHBondContact O-NE2 2.83Å
136	T	94.2	Very high	90.7	Very high	20 Å²	20	60 Å²	60	12%	0.123	34%	0.335	C	S	.	.			trans	-58.1	152.8	173.8	58.9	0	0	0	0	112.1	L45 I46 T47 A138 G139 Q140	L45-T136 HydrophobicContact CB-CG2 3.63Å; L45-T136 HydrophobicContact CD1-CG2 4.31Å; I46-T136 WeakPolarHBondContact O-CG2 3.43Å; I46-T136 PolarHBondContact O-N 3.31Å; I46-T136 PolarHBondContact O-OG1 3.3Å; T47-T136 WeakPolarHBondContact CA-OG1 3.39Å; T47-T136 HydrophobicContact CG2-CG2 4.21Å; T136-A138 PolarHBondContact O-N 3.11Å; T136-G139 PolarHBondContact O-N 3.04Å; T136-G139 PolarHBondContact OG1-N 3.18Å; T136-G139 VanDerWaalsContact OG1-N 3.13Å; T136-Q140 WeakPolarHBondContact O-CG 3.28Å; T136-Q140 PolarHBondContact O-N 3.12Å; T136-Q140 VanDerWaalsContact O-N 3.13Å
137	P	91.4	Very high	90.3	Very high	106 Å²	106	59.4 Å²	59.4	69%	0.688	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.8	176.2	-28.4	35.8	0	0	0	113.8	Q140	P137-Q140 PolarHBondContact O-N 3.41Å
138	A	89.9	Confident	89.9	Confident	57 Å²	57	63.3 Å²	63.3	47%	0.471	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-39.6	175.9	0	0	0	0	0	112.6	T136 Q140 L141	T136-A138 PolarHBondContact O-N 3.11Å; A138-Q140 PolarHBondContact O-N 3.24Å; A138-L141 WeakPolarHBondContact O-CB 3.22Å; A138-L141 PolarHBondContact O-N 3.37Å
139	G	89.4	Confident	89.5	Confident	4 Å²	4	60.8 Å²	60.8	4%	0.041	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.1	177.2	0	0	0	0	0	114.7	T136	T136-G139 PolarHBondContact O-N 3.04Å; T136-G139 PolarHBondContact OG1-N 3.18Å; T136-G139 VanDerWaalsContact OG1-N 3.13Å
140	Q	89.8	Confident	89.1	Confident	46 Å²	46	56.2 Å²	56.2	22%	0.215	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-19.3	174	-68.1	177.5	35.6	0	0	112.7	V135 T136 P137 A138 S263	V135-Q140 HydrophobicContact CB-CG 3.91Å; V135-Q140 HydrophobicContact CG1-CG 3.79Å; V135-Q140 PolarHBondContact O-NE2 2.83Å; T136-Q140 WeakPolarHBondContact O-CG 3.28Å; T136-Q140 PolarHBondContact O-N 3.12Å; T136-Q140 VanDerWaalsContact O-N 3.13Å; P137-Q140 PolarHBondContact O-N 3.41Å; A138-Q140 PolarHBondContact O-N 3.24Å; Q140-S263 WeakPolarHBondContact O-CB 3.36Å; Q140-S263 PolarHBondContact O-OG 3.17Å
141	L	88.3	Confident	89	Confident	109 Å²	109	56.1 Å²	56.1	57%	0.571	32%	0.317	S	S	*	.	S	Bend	trans	-65	151.5	-177	-64.3	175.6	0	0	0	112	A138	A138-L141 WeakPolarHBondContact O-CB 3.22Å; A138-L141 PolarHBondContact O-N 3.37Å
142	P	86.6	Confident	88.6	Confident	46 Å²	46	59.1 Å²	59.1	30%	0.299	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-62.8	137.4	174.1	24.5	-32	0	0	0	110.7	S263 R265	P142-S263 WeakPolarHBondContact CB-O 3.1Å; P142-R265 HydrophobicContact CB-CG 4.18Å; P142-R265 HydrophobicContact CG-CG 3.93Å
143	V	87.3	Confident	88.3	Confident	20 Å²	20	58.3 Å²	58.3	12%	0.121	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-87.3	154.5	174.9	178.1	0	0	0	0	109.1	Y49 D50 I147 E148	Y49-V143 HydrophobicContact CE1-CG2 3.77Å; Y49-V143 HydrophobicContact CE2-CG1 4.34Å; D50-V143 HydrophobicContact CB-CG1 4.09Å; D50-V143 HydrophobicContact CB-CG2 4.48Å; V143-I147 HydrophobicContact CG1-CB 3.58Å; V143-I147 HydrophobicContact CG1-CG1 4.38Å; V143-I147 HydrophobicContact CG1-CG2 3.55Å; V143-E148 HydrophobicContact CG1-CG 4.41Å
144	S	83.6	Confident	88.3	Confident	37 Å²	37	52.2 Å²	52.2	26%	0.259	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-75.3	149.8	177.5	59.4	0	0	0	0	111.6	D146 I147 E148	S144-D146 PolarHBondContact O-N 3.3Å; S144-I147 PolarHBondContact O-N 3.14Å; S144-I147 WeakPolarHBondContact OG-CG1 3.47Å; S144-E148 PolarHBondContact O-N 2.78Å; S144-E148 VanDerWaalsContact O-N 3.07Å
145	A	81.9	Confident	88.1	Confident	70 Å²	70	52.2 Å²	52.2	58%	0.579	30%	0.299	S	S	*	.	H	α-helix	trans	-55.6	-35.3	174.8	0	0	0	0	0	112.4	I147 E148 Y149	A145-I147 VanDerWaalsContact C-N 3.35Å; A145-I147 PolarHBondContact O-N 3.43Å; A145-E148 PolarHBondContact O-N 2.9Å; A145-Y149 WeakPolarHBondContact O-CB 3.39Å; A145-Y149 PolarHBondContact O-N 3.13Å
146	D	78.3	Confident	88.2	Confident	122 Å²	122	52.2 Å²	52.2	65%	0.652	30%	0.299	S	S	*	.	H	α-helix	trans	-59.5	-44.6	176	-54.9	-32.7	0	0	0	111.6	S144 Y149 E150	S144-D146 PolarHBondContact O-N 3.3Å; D146-Y149 WeakPolarHBondContact O-CB 3.2Å; D146-Y149 PolarHBondContact O-N 3.37Å; D146-E150 WeakPolarHBondContact O-CG 3.47Å; D146-E150 PolarHBondContact O-N 2.91Å
147	I	87.8	Confident	88.3	Confident	26 Å²	26	51.4 Å²	51.4	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-70.8	-38.5	179.4	-63	-70.2	0	0	0	110.3	Y49 D50 Y53 V143 S144 A145 Y149 E150 F151	Y49-I147 HydrophobicContact CE2-CG2 4.01Å; D50-I147 HydrophobicContact CB-CG1 4.36Å; D50-I147 HydrophobicContact CB-CG2 3.97Å; Y53-I147 HydrophobicContact CD1-CD1 3.74Å; Y53-I147 HydrophobicContact CE1-CD1 4.06Å; V143-I147 HydrophobicContact CG1-CB 3.58Å; V143-I147 HydrophobicContact CG1-CG1 4.38Å; V143-I147 HydrophobicContact CG1-CG2 3.55Å; S144-I147 PolarHBondContact O-N 3.14Å; S144-I147 WeakPolarHBondContact OG-CG1 3.47Å; A145-I147 VanDerWaalsContact C-N 3.35Å; A145-I147 PolarHBondContact O-N 3.43Å; I147-Y149 VanDerWaalsContact C-N 3.25Å; I147-Y149 PolarHBondContact O-N 3.28Å; I147-E150 PolarHBondContact O-N 2.61Å; I147-F151 HydrophobicContact CG2-CD2 3.86Å; I147-F151 HydrophobicContact CG2-CE2 3.96Å; I147-F151 WeakPolarHBondContact O-CD2 3.41Å; I147-F151 PolarHBondContact O-N 3.35Å; I147-F151 VanDerWaalsContact O-N 3.12Å
148	E	86.2	Confident	88.4	Confident	104 Å²	104	48.2 Å²	48.2	49%	0.486	27%	0.271	S	S	.	.	H	α-helix	trans	-58.9	-40.3	173.5	-68.1	179.8	164.7	0	0	111.4	V143 S144 A145 F151 S152	V143-E148 HydrophobicContact CG1-CG 4.41Å; S144-E148 PolarHBondContact O-N 2.78Å; S144-E148 VanDerWaalsContact O-N 3.07Å; A145-E148 PolarHBondContact O-N 2.9Å; E148-F151 PolarHBondContact O-N 3.02Å; E148-S152 WeakPolarHBondContact O-CB 3.47Å; E148-S152 PolarHBondContact O-N 3.25Å; E148-S152 PolarHBondContact O-OG 3.04Å
149	Y	84.4	Confident	88.6	Confident	146 Å²	146	46.6 Å²	46.6	57%	0.573	25%	0.254	S	S	*	.	H	α-helix	trans	-64.9	-43.8	174.8	178.3	-97.4	0	0	0	113.3	A145 D146 I147 F151 S152 T153	A145-Y149 WeakPolarHBondContact O-CB 3.39Å; A145-Y149 PolarHBondContact O-N 3.13Å; D146-Y149 WeakPolarHBondContact O-CB 3.2Å; D146-Y149 PolarHBondContact O-N 3.37Å; I147-Y149 VanDerWaalsContact C-N 3.25Å; I147-Y149 PolarHBondContact O-N 3.28Å; Y149-F151 PolarHBondContact O-N 3.28Å; Y149-S152 WeakPolarHBondContact CA-OG 3.47Å; Y149-S152 PolarHBondContact O-N 3.03Å; Y149-S152 PolarHBondContact O-OG 3.18Å; Y149-T153 HydrophobicContact CD1-CG2 4.4Å; Y149-T153 HydrophobicContact CD2-CG2 4.16Å; Y149-T153 HydrophobicContact CE1-CG2 3.97Å; Y149-T153 HydrophobicContact CE2-CG2 3.7Å; Y149-T153 HydrophobicContact CG-CG2 4.49Å; Y149-T153 WeakPolarHBondContact O-CB 3.5Å; Y149-T153 WeakPolarHBondContact O-CG2 3.28Å; Y149-T153 PolarHBondContact O-N 2.67Å; Y149-T153 PolarHBondContact O-OG1 2.75Å
150	E	86.6	Confident	89	Confident	55 Å²	55	46.4 Å²	46.4	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-37.8	176.3	-68.8	-75.7	147.1	0	0	111.7	Y53 D146 I147 T153 R154 N155 P156	Y53-E150 HydrophobicContact CE1-CB 4.07Å; Y53-E150 HydrophobicContact CE1-CG 4.15Å; Y53-E150 PolarHBondContact OH-OE2 2.89Å; D146-E150 WeakPolarHBondContact O-CG 3.47Å; D146-E150 PolarHBondContact O-N 2.91Å; I147-E150 PolarHBondContact O-N 2.61Å; E150-T153 PolarHBondContact O-OG1 3.12Å; E150-R154 PolarHBondContact O-N 2.76Å; E150-N155 WeakPolarHBondContact O-CB 3.25Å; E150-N155 PolarHBondContact O-N 2.81Å; E150-N155 PolarHBondContact OE2-ND2 2.81Å; E150-P156 WeakPolarHBondContact O-CD 3.25Å
151	F	91.7	Very high	89.2	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-80.9	-34.8	178.3	-89.5	-85.9	0	0	0	113.3	Y49 Y53 M76 R79 I147 E148 Y149 T153 R154 P156	Y49-F151 HydrophobicContact CD2-CD2 4.38Å; Y49-F151 AromaticContact CD2-CE2 3.69Å; Y49-F151 HydrophobicContact CD2-CE2 3.69Å; Y49-F151 AromaticContact CD2-CZ 3.76Å; Y49-F151 HydrophobicContact CD2-CZ 3.76Å; Y49-F151 HydrophobicContact CE2-CD2 4.04Å; Y49-F151 AromaticContact CE2-CE2 3.79Å; Y49-F151 HydrophobicContact CE2-CE2 3.79Å; Y49-F151 HydrophobicContact CE2-CZ 4.22Å; Y53-F151 HydrophobicContact CD1-CE2 4.43Å; Y53-F151 HydrophobicContact CD2-CE2 4.22Å; Y53-F151 HydrophobicContact CD2-CZ 4.34Å; Y53-F151 AromaticContact CG-CE2 3.96Å; Y53-F151 HydrophobicContact CG-CE2 3.96Å; Y53-F151 HydrophobicContact CG-CZ 4.37Å; M76-F151 HydrophobicContact CG-CE1 3.94Å; R79-F151 HydrophobicContact CB-CE1 4.49Å; R79-F151 VanDerWaalsContact CD-CD1 3.41Å; I147-F151 HydrophobicContact CG2-CD2 3.86Å; I147-F151 HydrophobicContact CG2-CE2 3.96Å; I147-F151 WeakPolarHBondContact O-CD2 3.41Å; I147-F151 PolarHBondContact O-N 3.35Å; I147-F151 VanDerWaalsContact O-N 3.12Å; E148-F151 PolarHBondContact O-N 3.02Å; Y149-F151 PolarHBondContact O-N 3.28Å; F151-T153 VanDerWaalsContact C-N 3.33Å; F151-R154 PolarHBondContact O-N 3.03Å; F151-P156 HydrophobicContact CD1-CG 4Å; F151-P156 HydrophobicContact CE1-CG 3.91Å; F151-P156 HydrophobicContact CG-CG 4.4Å; F151-P156 HydrophobicContact CZ-CG 4.21Å
152	S	86.6	Confident	89.4	Confident	74 Å²	74	40.6 Å²	40.6	52%	0.517	22%	0.224	S	C	.	.	H	α-helix	trans	-68.7	-33.3	175.4	68.5	0	0	0	0	112.2	E148 Y149 R154	E148-S152 WeakPolarHBondContact O-CB 3.47Å; E148-S152 PolarHBondContact O-N 3.25Å; E148-S152 PolarHBondContact O-OG 3.04Å; Y149-S152 WeakPolarHBondContact CA-OG 3.47Å; Y149-S152 PolarHBondContact O-N 3.03Å; Y149-S152 PolarHBondContact O-OG 3.18Å; S152-R154 PolarHBondContact O-N 3.32Å
153	T	86.2	Confident	89.9	Confident	23 Å²	23	38.4 Å²	38.4	14%	0.141	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	5.5	172.6	57.5	0	0	0	0	113.2	Y149 E150 F151 N155 N184	Y149-T153 HydrophobicContact CD1-CG2 4.4Å; Y149-T153 HydrophobicContact CD2-CG2 4.16Å; Y149-T153 HydrophobicContact CE1-CG2 3.97Å; Y149-T153 HydrophobicContact CE2-CG2 3.7Å; Y149-T153 HydrophobicContact CG-CG2 4.49Å; Y149-T153 WeakPolarHBondContact O-CB 3.5Å; Y149-T153 WeakPolarHBondContact O-CG2 3.28Å; Y149-T153 PolarHBondContact O-N 2.67Å; Y149-T153 PolarHBondContact O-OG1 2.75Å; E150-T153 PolarHBondContact O-OG1 3.12Å; F151-T153 VanDerWaalsContact C-N 3.33Å; T153-N155 PolarHBondContact O-N 2.69Å; T153-N155 VanDerWaalsContact O-N 3.12Å; T153-N184 PolarHBondContact O-ND2 2.94Å
154	R	94.3	Very high	90.4	Very high	3 Å²	3	38 Å²	38	1%	0.011	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	27.2	179.4	-57.8	-172.1	-173.5	171.8	-5.2	113.6	E150 F151 S152 P156 Y157 T179 F180 A183 D210 E212 E216	E150-R154 PolarHBondContact O-N 2.76Å; F151-R154 PolarHBondContact O-N 3.03Å; S152-R154 PolarHBondContact O-N 3.32Å; R154-P156 VanDerWaalsContact C-N 3.34Å; R154-Y157 HydrophobicContact CB-CD2 3.85Å; R154-Y157 HydrophobicContact CB-CE2 4.3Å; R154-Y157 WeakPolarHBondContact O-CB 3.47Å; R154-Y157 WeakPolarHBondContact O-CD2 3.42Å; R154-Y157 PolarHBondContact O-N 3.31Å; R154-T179 VanDerWaalsContact CD-O 3.29Å; R154-T179 WeakPolarHBondContact CD-O 3.41Å; R154-T179 PolarHBondContact NH1-O 3.29Å; R154-F180 WeakPolarHBondContact O-CD2 3.2Å; R154-A183 HydrophobicContact CB-CB 4.06Å; R154-A183 HydrophobicContact CG-CB 3.74Å; R154-D210 IonicContact CZ-OD1 3.26Å; R154-D210 IonicContact CZ-OD2 3.78Å; R154-D210 VanDerWaalsContact CZ-OD2 3.31Å; R154-D210 IonicContact NH1-OD1 3.46Å; R154-D210 PolarHBondContact NH1-OD1 2.85Å; R154-D210 IonicContact NH1-OD2 3.42Å; R154-D210 PolarHBondContact NH1-OD2 2.93Å; R154-D210 IonicContact NH2-OD1 3.02Å; R154-D210 IonicContact NH2-OD2 3.79Å; R154-D210 PolarHBondContact NH2-OD2 3.13Å; R154-E212 IonicContact NE-OE2 3.58Å; R154-E212 PolarHBondContact NE-OE2 3.46Å; R154-E216 IonicContact CZ-OE2 3.66Å; R154-E216 IonicContact NH2-OE2 2.66Å; R154-E216 PolarHBondContact NH2-OE2 2.93Å
155	N	91.6	Very high	90.9	Very high	24 Å²	24	40.6 Å²	40.6	13%	0.128	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-26.4	-177.8	-158.5	36.7	0	0	0	115.4	E150 T153 Y157 N158 F159 F180	E150-N155 WeakPolarHBondContact O-CB 3.25Å; E150-N155 PolarHBondContact O-N 2.81Å; E150-N155 PolarHBondContact OE2-ND2 2.81Å; T153-N155 PolarHBondContact O-N 2.69Å; T153-N155 VanDerWaalsContact O-N 3.12Å; N155-Y157 PolarHBondContact O-N 3.21Å; N155-Y157 VanDerWaalsContact O-N 3.1Å; N155-N158 VanDerWaalsContact O-CB 3.24Å; N155-N158 WeakPolarHBondContact O-CB 3.31Å; N155-N158 PolarHBondContact O-N 3.21Å; N155-N158 VanDerWaalsContact OD1-CB 3.25Å; N155-N158 WeakPolarHBondContact OD1-CB 3.02Å; N155-N158 PolarHBondContact OD1-ND2 3.1Å; N155-F159 WeakPolarHBondContact ND2-CE2 3.25Å; N155-F159 WeakPolarHBondContact O-CD2 3.38Å; N155-F159 PolarHBondContact O-N 3.46Å; N155-F180 HydrophobicContact CB-CE2 4.47Å
156	P	96.5	Very high	91.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-50.8	-34.9	169.4	-29	34.5	0	0	0	113.8	Y53 M76 E150 F151 R154 F159 L160	Y53-P156 HydrophobicContact CD2-CG 4.04Å; Y53-P156 HydrophobicContact CE2-CB 4.2Å; Y53-P156 HydrophobicContact CE2-CG 3.71Å; M76-P156 HydrophobicContact CG-CB 4.07Å; M76-P156 HydrophobicContact CG-CG 4.43Å; M76-P156 HydrophobicContact SD-CB 3.75Å; E150-P156 WeakPolarHBondContact O-CD 3.25Å; F151-P156 HydrophobicContact CD1-CG 4Å; F151-P156 HydrophobicContact CE1-CG 3.91Å; F151-P156 HydrophobicContact CG-CG 4.4Å; F151-P156 HydrophobicContact CZ-CG 4.21Å; R154-P156 VanDerWaalsContact C-N 3.34Å; P156-F159 PolarHBondContact O-N 2.97Å; P156-L160 WeakPolarHBondContact O-CG 3.19Å; P156-L160 PolarHBondContact O-N 2.81Å
157	Y	96.9	Very high	92.3	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-73.7	-28.1	178.6	-61.1	-83.9	0	0	0	113.4	M76 R154 N155 F159 L160 Q161 A176 T179 R211 E212	M76-Y157 HydrophobicContact CE-CE1 3.97Å; M76-Y157 HydrophobicContact SD-CD1 4.3Å; M76-Y157 HydrophobicContact SD-CD2 4.17Å; M76-Y157 HydrophobicContact SD-CE1 3.74Å; M76-Y157 HydrophobicContact SD-CE2 3.62Å; R154-Y157 HydrophobicContact CB-CD2 3.85Å; R154-Y157 HydrophobicContact CB-CE2 4.3Å; R154-Y157 WeakPolarHBondContact O-CB 3.47Å; R154-Y157 WeakPolarHBondContact O-CD2 3.42Å; R154-Y157 PolarHBondContact O-N 3.31Å; N155-Y157 PolarHBondContact O-N 3.21Å; N155-Y157 VanDerWaalsContact O-N 3.1Å; Y157-F159 VanDerWaalsContact C-N 3.3Å; Y157-F159 PolarHBondContact O-N 3.45Å; Y157-L160 HydrophobicContact CD1-CD1 4.46Å; Y157-L160 PolarHBondContact O-N 3.47Å; Y157-Q161 PolarHBondContact O-N 3.08Å; Y157-A176 WeakPolarHBondContact CB-O 3.32Å; Y157-A176 HydrophobicContact CD1-CB 4.2Å; Y157-T179 HydrophobicContact CD1-CG2 3.83Å; Y157-T179 HydrophobicContact CD2-CG2 3.64Å; Y157-T179 HydrophobicContact CE1-CG2 3.76Å; Y157-T179 HydrophobicContact CE2-CG2 3.56Å; Y157-T179 HydrophobicContact CG-CG2 3.75Å; Y157-R211 HydrophobicContact CE1-CB 4.25Å; Y157-E212 HydrophobicContact CE2-CG 4.11Å; Y157-E212 WeakPolarHBondContact CE2-OE1 3.39Å; Y157-E212 WeakPolarHBondContact OH-CG 3.42Å; Y157-E212 PolarHBondContact OH-OE1 3.05Å
158	N	92.8	Very high	92.6	Very high	38 Å²	38	39.8 Å²	39.8	20%	0.203	20%	0.204	C	C	.	.	H	α-helix	trans	-62.3	-38.9	173	-173.3	23.3	0	0	0	111.7	N155 Q161 F180 M190	N155-N158 VanDerWaalsContact O-CB 3.24Å; N155-N158 WeakPolarHBondContact O-CB 3.31Å; N155-N158 PolarHBondContact O-N 3.21Å; N155-N158 VanDerWaalsContact OD1-CB 3.25Å; N155-N158 WeakPolarHBondContact OD1-CB 3.02Å; N155-N158 PolarHBondContact OD1-ND2 3.1Å; N158-Q161 WeakPolarHBondContact O-CG 3.38Å; N158-Q161 PolarHBondContact O-NE2 2.67Å; N158-F180 HydrophobicContact CB-CD1 4.29Å; N158-F180 HydrophobicContact CB-CD2 3.72Å; N158-F180 HydrophobicContact CB-CE1 4.28Å; N158-F180 HydrophobicContact CB-CE2 3.72Å; N158-F180 HydrophobicContact CB-CG 4Å; N158-F180 HydrophobicContact CB-CZ 3.99Å; N158-M190 HydrophobicContact CB-CE 4.3Å; N158-M190 VanDerWaalsContact OD1-CE 3.29Å; N158-M190 WeakPolarHBondContact OD1-CE 3.44Å
159	F	93.8	Very high	93	Very high	24 Å²	24	39.7 Å²	39.7	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-72	-47.5	171.3	-63.7	-70.6	0	0	0	111.4	Y53 V57 Y60 F61 L72 N155 P156 Y157 Q161 V162 V163	Y53-F159 HydrophobicContact CE2-CD2 4.48Å; Y53-F159 WeakPolarHBondContact OH-CE2 3.28Å; V57-F159 HydrophobicContact CG1-CE1 4.28Å; V57-F159 HydrophobicContact CG1-CZ 4.08Å; V57-F159 HydrophobicContact CG2-CD2 4.05Å; V57-F159 HydrophobicContact CG2-CE2 3.85Å; V57-F159 HydrophobicContact CG2-CZ 4.21Å; Y60-F159 AromaticContact CD1-CD1 3.59Å; Y60-F159 HydrophobicContact CD1-CD1 3.59Å; Y60-F159 AromaticContact CD1-CE1 3.95Å; Y60-F159 HydrophobicContact CD1-CE1 3.95Å; Y60-F159 HydrophobicContact CD2-CB 4.5Å; Y60-F159 HydrophobicContact CD2-CD1 4.3Å; Y60-F159 AromaticContact CE1-CD1 3.69Å; Y60-F159 HydrophobicContact CE1-CD1 3.69Å; Y60-F159 HydrophobicContact CE1-CE1 4Å; Y60-F159 HydrophobicContact CE2-CD1 4.39Å; Y60-F159 AromaticContact CG-CD1 3.91Å; Y60-F159 HydrophobicContact CG-CD1 3.91Å; F61-F159 HydrophobicContact CE2-CE1 4.42Å; F61-F159 HydrophobicContact CZ-CE1 4.32Å; L72-F159 HydrophobicContact CD1-CB 3.64Å; N155-F159 WeakPolarHBondContact ND2-CE2 3.25Å; N155-F159 WeakPolarHBondContact O-CD2 3.38Å; N155-F159 PolarHBondContact O-N 3.46Å; P156-F159 PolarHBondContact O-N 2.97Å; Y157-F159 VanDerWaalsContact C-N 3.3Å; Y157-F159 PolarHBondContact O-N 3.45Å; F159-Q161 VanDerWaalsContact C-N 3.3Å; F159-Q161 PolarHBondContact O-N 3.42Å; F159-V162 PolarHBondContact O-N 2.77Å; F159-V163 WeakPolarHBondContact O-CG2 3.39Å; F159-V163 PolarHBondContact O-N 3.37Å
160	L	97.4	Very high	93.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-35	-176.1	-79.5	170.8	0	0	0	113.6	L72 E73 M76 P156 Y157 V162 V163 Y164 A176	L72-L160 HydrophobicContact CB-CD1 4.22Å; L72-L160 HydrophobicContact CB-CD2 3.81Å; L72-L160 HydrophobicContact CB-CG 3.91Å; L72-L160 HydrophobicContact CD1-CD2 4.13Å; L72-L160 HydrophobicContact CD1-CG 4.09Å; E73-L160 HydrophobicContact CG-CD1 4.22Å; E73-L160 HydrophobicContact CG-CD2 4.13Å; M76-L160 HydrophobicContact CE-CD1 3.32Å; M76-L160 HydrophobicContact SD-CD1 4.28Å; P156-L160 WeakPolarHBondContact O-CG 3.19Å; P156-L160 PolarHBondContact O-N 2.81Å; Y157-L160 HydrophobicContact CD1-CD1 4.46Å; Y157-L160 PolarHBondContact O-N 3.47Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 3.35Å; L160-V163 PolarHBondContact O-N 3.35Å; L160-Y164 HydrophobicContact CB-CD2 4.17Å; L160-Y164 HydrophobicContact CB-CE2 4.08Å; L160-Y164 HydrophobicContact CD2-CE2 4Å; L160-Y164 HydrophobicContact CG-CE2 4.47Å; L160-Y164 WeakPolarHBondContact O-CB 3.3Å; L160-Y164 WeakPolarHBondContact O-CD2 3.48Å; L160-Y164 PolarHBondContact O-N 2.57Å; L160-A176 HydrophobicContact CB-CB 4.09Å
161	Q	95.6	Very high	93.8	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-41.1	178.2	66.8	83.2	11.7	0	0	112	Y157 N158 F159 W165 A173 A176 A177 M190 N193 Y197	Y157-Q161 PolarHBondContact O-N 3.08Å; N158-Q161 WeakPolarHBondContact O-CG 3.38Å; N158-Q161 PolarHBondContact O-NE2 2.67Å; F159-Q161 VanDerWaalsContact C-N 3.3Å; F159-Q161 PolarHBondContact O-N 3.42Å; Q161-W165 WeakPolarHBondContact O-CB 3.18Å; Q161-W165 PolarHBondContact O-N 2.8Å; Q161-A173 WeakPolarHBondContact CB-O 3.42Å; Q161-A173 WeakPolarHBondContact O-CB 3.37Å; Q161-A176 HydrophobicContact CB-CB 3.92Å; Q161-A177 HydrophobicContact CB-CB 3.96Å; Q161-A177 HydrophobicContact CG-CB 4.29Å; Q161-M190 HydrophobicContact CG-CE 3.68Å; Q161-M190 HydrophobicContact CG-SD 3.96Å; Q161-N193 PolarHBondContact NE2-ND2 2.9Å; Q161-Y197 PolarHBondContact OE1-OH 3.28Å
162	V	92.5	Very high	94	Very high	29 Å²	29	40 Å²	40	18%	0.176	21%	0.209	C	C	.	.	H	α-helix	trans	-67.8	-45.8	175.7	-179.1	0	0	0	0	110.3	Y60 F159 L160 Y164 W165 K166	Y60-V162 HydrophobicContact CE2-CB 3.84Å; Y60-V162 HydrophobicContact CE2-CG1 3.85Å; F159-V162 PolarHBondContact O-N 2.77Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 3.35Å; V162-Y164 VanDerWaalsContact C-N 3.35Å; V162-Y164 PolarHBondContact O-N 2.96Å; V162-W165 PolarHBondContact O-N 3.49Å; V162-K166 HydrophobicContact CG1-CG 4.3Å; V162-K166 VanDerWaalsContact O-CG 3.32Å; V162-K166 WeakPolarHBondContact O-CG 3.44Å; V162-K166 PolarHBondContact O-N 2.7Å
163	V	96.3	Very high	94.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.3	-48.9	179.2	176	0	0	0	0	110.7	Y60 W65 A68 A69 F159 L160 W165 K166 L167	Y60-V163 HydrophobicContact CD2-CG2 3.55Å; Y60-V163 HydrophobicContact CE2-CG2 4.13Å; W65-V163 HydrophobicContact CB-CG1 4.3Å; W65-V163 HydrophobicContact CE3-CG2 4.18Å; W65-V163 WeakPolarHBondContact O-CG1 3.04Å; A68-V163 HydrophobicContact CB-CG1 4.44Å; A68-V163 HydrophobicContact CB-CG2 4Å; A69-V163 HydrophobicContact CB-CG1 3.64Å; F159-V163 WeakPolarHBondContact O-CG2 3.39Å; F159-V163 PolarHBondContact O-N 3.37Å; L160-V163 PolarHBondContact O-N 3.35Å; V163-W165 VanDerWaalsContact C-N 3.33Å; V163-W165 PolarHBondContact O-N 2.79Å; V163-K166 PolarHBondContact O-N 3.48Å; V163-L167 HydrophobicContact CG1-CD1 3.89Å; V163-L167 HydrophobicContact CG1-CG 4.47Å; V163-L167 VanDerWaalsContact O-CG 3.28Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 3.16Å
164	Y	97.1	Very high	94.8	Very high	11 Å²	11	35.4 Å²	35.4	4%	0.043	18%	0.178	C	C	.	.	H	α-helix	trans	-65.3	-37.1	179.2	-75.2	-43.2	0	0	0	112.9	A69 E73 L160 V162 L167 G168 K169 K172 A176	A69-Y164 HydrophobicContact CB-CE1 4.31Å; E73-Y164 VanDerWaalsContact CD-OH 3.23Å; E73-Y164 VanDerWaalsContact CG-OH 3.3Å; E73-Y164 WeakPolarHBondContact CG-OH 3.28Å; E73-Y164 WeakPolarHBondContact OE1-CE2 3.42Å; E73-Y164 PolarHBondContact OE1-OH 2.87Å; L160-Y164 HydrophobicContact CB-CD2 4.17Å; L160-Y164 HydrophobicContact CB-CE2 4.08Å; L160-Y164 HydrophobicContact CD2-CE2 4Å; L160-Y164 HydrophobicContact CG-CE2 4.47Å; L160-Y164 WeakPolarHBondContact O-CB 3.3Å; L160-Y164 WeakPolarHBondContact O-CD2 3.48Å; L160-Y164 PolarHBondContact O-N 2.57Å; V162-Y164 VanDerWaalsContact C-N 3.35Å; V162-Y164 PolarHBondContact O-N 2.96Å; Y164-L167 CarbonylContact O-C 3.53Å; Y164-L167 PolarHBondContact O-N 3.04Å; Y164-G168 PolarHBondContact O-N 2.79Å; Y164-K169 HydrophobicContact CD1-CB 4.17Å; Y164-K169 HydrophobicContact CD1-CD 4Å; Y164-K169 HydrophobicContact CE1-CD 4.32Å; Y164-K169 WeakPolarHBondContact O-CA 3.43Å; Y164-K169 PolarHBondContact O-N 2.73Å; Y164-K172 HydrophobicContact CD1-CB 4.04Å; Y164-K172 HydrophobicContact CD1-CD 4.23Å; Y164-K172 HydrophobicContact CD2-CB 3.59Å; Y164-K172 HydrophobicContact CE1-CB 4.31Å; Y164-K172 HydrophobicContact CE1-CD 3.84Å; Y164-K172 HydrophobicContact CE2-CB 3.89Å; Y164-K172 HydrophobicContact CE2-CD 4.36Å; Y164-K172 HydrophobicContact CG-CB 3.67Å; Y164-A176 HydrophobicContact CD2-CB 4.43Å
165	W	94.1	Very high	94.9	Very high	92 Å²	92	36.4 Å²	36.4	35%	0.348	19%	0.186	S	C	.	.	H	α-helix	trans	-62.4	-44.4	173.2	177.5	68.7	0	0	0	111.8	Q161 V162 V163 L167 G168 A173 Y197	Q161-W165 WeakPolarHBondContact O-CB 3.18Å; Q161-W165 PolarHBondContact O-N 2.8Å; V162-W165 PolarHBondContact O-N 3.49Å; V163-W165 VanDerWaalsContact C-N 3.33Å; V163-W165 PolarHBondContact O-N 2.79Å; W165-L167 VanDerWaalsContact C-N 3.28Å; W165-L167 PolarHBondContact O-N 3.41Å; W165-G168 PolarHBondContact O-N 2.94Å; W165-G168 VanDerWaalsContact O-N 3.07Å; W165-A173 HydrophobicContact CB-CB 4.11Å; W165-Y197 HydrophobicContact CB-CE1 4.21Å; W165-Y197 AromaticContact CD1-CE1 3.74Å; W165-Y197 HydrophobicContact CG-CE1 4.11Å
166	K	94.4	Very high	95.2	Very high	106 Å²	106	35.3 Å²	35.3	46%	0.461	18%	0.18	S	C	.	.	H	α-helix	trans	-62.6	-32.8	175.7	-68.7	-67.7	-171.8	176.7	0	113	W65 V162 V163 G168	W65-K166 HydrophobicContact CD2-CB 3.75Å; W65-K166 HydrophobicContact CD2-CG 3.93Å; W65-K166 HydrophobicContact CE3-CB 4.18Å; W65-K166 HydrophobicContact CE3-CG 4.08Å; W65-K166 HydrophobicContact CG-CB 3.93Å; W65-K166 HydrophobicContact CH2-CG 4.12Å; W65-K166 HydrophobicContact CZ2-CD 4.15Å; W65-K166 HydrophobicContact CZ2-CG 3.94Å; W65-K166 HydrophobicContact CZ3-CG 4.18Å; V162-K166 HydrophobicContact CG1-CG 4.3Å; V162-K166 VanDerWaalsContact O-CG 3.32Å; V162-K166 WeakPolarHBondContact O-CG 3.44Å; V162-K166 PolarHBondContact O-N 2.7Å; V163-K166 PolarHBondContact O-N 3.48Å; K166-G168 VanDerWaalsContact C-N 3.27Å; K166-G168 PolarHBondContact O-N 3.41Å
167	L	96.3	Very high	95.1	Very high	37 Å²	37	35.2 Å²	35.2	19%	0.194	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	2.7	175.6	-65.9	174.1	0	0	0	114	W65 E66 A69 V163 Y164 W165 K169	W65-L167 HydrophobicContact CB-CD1 4.5Å; W65-L167 HydrophobicContact CB-CD2 3.7Å; W65-L167 HydrophobicContact CB-CG 3.96Å; E66-L167 VanDerWaalsContact CD-CD2 3.4Å; E66-L167 HydrophobicContact CG-CD2 3.77Å; E66-L167 WeakPolarHBondContact OE1-CD2 3.23Å; A69-L167 HydrophobicContact CB-CD1 4.04Å; V163-L167 HydrophobicContact CG1-CD1 3.89Å; V163-L167 HydrophobicContact CG1-CG 4.47Å; V163-L167 VanDerWaalsContact O-CG 3.28Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 3.16Å; Y164-L167 CarbonylContact O-C 3.53Å; Y164-L167 PolarHBondContact O-N 3.04Å; W165-L167 VanDerWaalsContact C-N 3.28Å; W165-L167 PolarHBondContact O-N 3.41Å; L167-K169 HydrophobicContact CB-CD 4.4Å; L167-K169 HydrophobicContact CB-CG 4.33Å; L167-K169 PolarHBondContact O-N 2.86Å
168	G	93.8	Very high	95	Very high	57 Å²	57	37.2 Å²	37.2	59%	0.588	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	10.4	-176.9	0	0	0	0	0	114.8	Y164 W165 K166 V170	Y164-G168 PolarHBondContact O-N 2.79Å; W165-G168 PolarHBondContact O-N 2.94Å; W165-G168 VanDerWaalsContact O-N 3.07Å; K166-G168 VanDerWaalsContact C-N 3.27Å; K166-G168 PolarHBondContact O-N 3.41Å; G168-V170 VanDerWaalsContact C-N 3.33Å; G168-V170 PolarHBondContact O-N 3.49Å
169	K	95.1	Very high	95.1	Very high	103 Å²	103	35.4 Å²	35.4	45%	0.448	18%	0.179	S	C	.	.			trans	-91	62.8	-179.8	-63.1	178	-176.1	169.7	0	110.6	Y164 L167 Q171 K172 A173	Y164-K169 HydrophobicContact CD1-CB 4.17Å; Y164-K169 HydrophobicContact CD1-CD 4Å; Y164-K169 HydrophobicContact CE1-CD 4.32Å; Y164-K169 WeakPolarHBondContact O-CA 3.43Å; Y164-K169 PolarHBondContact O-N 2.73Å; L167-K169 HydrophobicContact CB-CD 4.4Å; L167-K169 HydrophobicContact CB-CG 4.33Å; L167-K169 PolarHBondContact O-N 2.86Å; K169-Q171 VanDerWaalsContact C-N 3.34Å; K169-Q171 PolarHBondContact O-N 3.39Å; K169-K172 HydrophobicContact CB-CB 4.32Å; K169-K172 HydrophobicContact CD-CD 4.42Å; K169-K172 PolarHBondContact O-N 3.39Å; K169-K172 VanDerWaalsContact O-N 3.08Å; K169-A173 PolarHBondContact O-N 3.36Å
170	V	93.9	Very high	95.1	Very high	33 Å²	33	34.5 Å²	34.5	20%	0.2	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-37.4	-170.4	-65.2	0	0	0	0	114.5	G168 A173 A174 M200 V203	G168-V170 VanDerWaalsContact C-N 3.33Å; G168-V170 PolarHBondContact O-N 3.49Å; V170-A173 WeakPolarHBondContact O-CB 3.33Å; V170-A173 PolarHBondContact O-N 2.84Å; V170-A174 PolarHBondContact O-N 3.03Å; V170-M200 HydrophobicContact CB-SD 4.36Å; V170-M200 HydrophobicContact CG1-SD 3.87Å; V170-V203 HydrophobicContact CB-CG2 3.9Å; V170-V203 HydrophobicContact CG2-CG2 3.74Å
171	Q	93.8	Very high	94.7	Very high	66 Å²	66	36.6 Å²	36.6	31%	0.308	18%	0.184	S	C	.	.	H	α-helix	trans	-59.5	-45.8	173.9	-82.4	-87.4	-1.3	0	0	112.6	K169 A173 A174 S175 G202 T204	K169-Q171 VanDerWaalsContact C-N 3.34Å; K169-Q171 PolarHBondContact O-N 3.39Å; Q171-A173 VanDerWaalsContact C-N 3.32Å; Q171-A173 PolarHBondContact O-N 3.24Å; Q171-A174 PolarHBondContact O-N 3.45Å; Q171-S175 PolarHBondContact O-N 2.65Å; Q171-S175 VanDerWaalsContact O-N 3.1Å; Q171-G202 WeakPolarHBondContact CG-O 3.32Å; Q171-G202 PolarHBondContact NE2-O 2.97Å; Q171-T204 PolarHBondContact NE2-OG1 3.4Å
172	K	94.9	Very high	94.4	Very high	111 Å²	111	38.4 Å²	38.4	48%	0.483	20%	0.196	S	C	.	.	H	α-helix	trans	-69.7	-32.5	176.8	-67	-167.2	172.8	-163.4	0	112.1	Y164 K169 S175 A176	Y164-K172 HydrophobicContact CD1-CB 4.04Å; Y164-K172 HydrophobicContact CD1-CD 4.23Å; Y164-K172 HydrophobicContact CD2-CB 3.59Å; Y164-K172 HydrophobicContact CE1-CB 4.31Å; Y164-K172 HydrophobicContact CE1-CD 3.84Å; Y164-K172 HydrophobicContact CE2-CB 3.89Å; Y164-K172 HydrophobicContact CE2-CD 4.36Å; Y164-K172 HydrophobicContact CG-CB 3.67Å; K169-K172 HydrophobicContact CB-CB 4.32Å; K169-K172 HydrophobicContact CD-CD 4.42Å; K169-K172 PolarHBondContact O-N 3.39Å; K169-K172 VanDerWaalsContact O-N 3.08Å; K172-S175 PolarHBondContact O-N 3.43Å; K172-A176 WeakPolarHBondContact O-CB 3.34Å; K172-A176 PolarHBondContact O-N 2.89Å
173	A	95.8	Very high	94.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-45.1	174.3	0	0	0	0	0	111.2	Q161 W165 K169 V170 Q171 A176 A177 Y197	Q161-A173 WeakPolarHBondContact CB-O 3.42Å; Q161-A173 WeakPolarHBondContact O-CB 3.37Å; W165-A173 HydrophobicContact CB-CB 4.11Å; K169-A173 PolarHBondContact O-N 3.36Å; V170-A173 WeakPolarHBondContact O-CB 3.33Å; V170-A173 PolarHBondContact O-N 2.84Å; Q171-A173 VanDerWaalsContact C-N 3.32Å; Q171-A173 PolarHBondContact O-N 3.24Å; A173-A176 PolarHBondContact O-N 3.12Å; A173-A177 VanDerWaalsContact O-CB 3.27Å; A173-A177 WeakPolarHBondContact O-CB 3.25Å; A173-A177 PolarHBondContact O-N 2.95Å; A173-Y197 HydrophobicContact CB-CE1 4Å; A173-Y197 HydrophobicContact CB-CE2 4.18Å
174	A	95	Very high	93.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-47.3	174.9	0	0	0	0	0	112	V170 Q171 A177 H178 Y197 V203 A207 F208	V170-A174 PolarHBondContact O-N 3.03Å; Q171-A174 PolarHBondContact O-N 3.45Å; A174-A177 PolarHBondContact O-N 3.22Å; A174-H178 WeakPolarHBondContact O-CB 3.44Å; A174-H178 PolarHBondContact O-N 2.87Å; A174-Y197 HydrophobicContact CB-CD2 4.35Å; A174-Y197 HydrophobicContact CB-CG 4.29Å; A174-V203 HydrophobicContact CB-CG1 3.92Å; A174-A207 HydrophobicContact CB-CB 3.81Å; A174-F208 HydrophobicContact CB-CD1 4.44Å; A174-F208 HydrophobicContact CB-CE1 3.85Å; A174-F208 HydrophobicContact CB-CZ 4Å
175	S	96.2	Very high	92.4	Very high	25 Å²	25	41.4 Å²	41.4	18%	0.175	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-42.7	178.7	177.8	0	0	0	0	113.5	Q171 K172 H178 T179 A207 R211	Q171-S175 PolarHBondContact O-N 2.65Å; Q171-S175 VanDerWaalsContact O-N 3.1Å; K172-S175 PolarHBondContact O-N 3.43Å; S175-H178 PolarHBondContact O-N 3Å; S175-T179 WeakPolarHBondContact O-CB 3.28Å; S175-T179 PolarHBondContact O-N 3.4Å; S175-T179 PolarHBondContact O-OG1 3.18Å; S175-A207 WeakPolarHBondContact CA-O 3.44Å; S175-A207 WeakPolarHBondContact CB-O 3.25Å; S175-A207 PolarHBondContact N-O 2.78Å; S175-R211 WeakPolarHBondContact OG-CD 3.36Å; S175-R211 VanDerWaalsContact OG-CG 3.32Å; S175-R211 WeakPolarHBondContact OG-CG 3.24Å
176	A	96.6	Very high	91.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-42.1	174.1	0	0	0	0	0	111.6	Y157 L160 Q161 Y164 K172 A173 H178 T179 F180	Y157-A176 WeakPolarHBondContact CB-O 3.32Å; Y157-A176 HydrophobicContact CD1-CB 4.2Å; L160-A176 HydrophobicContact CB-CB 4.09Å; Q161-A176 HydrophobicContact CB-CB 3.92Å; Y164-A176 HydrophobicContact CD2-CB 4.43Å; K172-A176 WeakPolarHBondContact O-CB 3.34Å; K172-A176 PolarHBondContact O-N 2.89Å; A173-A176 PolarHBondContact O-N 3.12Å; A176-H178 PolarHBondContact O-N 2.97Å; A176-T179 PolarHBondContact O-N 2.97Å; A176-F180 PolarHBondContact O-N 3.36Å
177	A	95.1	Very high	90.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-45.3	177.3	0	0	0	0	0	112.2	Q161 A173 A174 F180 F181 M190 I194 Y197	Q161-A177 HydrophobicContact CB-CB 3.96Å; Q161-A177 HydrophobicContact CG-CB 4.29Å; A173-A177 VanDerWaalsContact O-CB 3.27Å; A173-A177 WeakPolarHBondContact O-CB 3.25Å; A173-A177 PolarHBondContact O-N 2.95Å; A174-A177 PolarHBondContact O-N 3.22Å; A177-F180 PolarHBondContact O-N 3.49Å; A177-F181 WeakPolarHBondContact O-CB 3.39Å; A177-F181 PolarHBondContact O-N 3.37Å; A177-M190 VanDerWaalsContact CA-SD 3.51Å; A177-M190 HydrophobicContact CB-CG 4.28Å; A177-M190 HydrophobicContact CB-SD 3.4Å; A177-M190 WeakPolarHBondContact CB-SD 3.07Å; A177-M190 VanDerWaalsContact O-CG 3.31Å; A177-M190 WeakPolarHBondContact O-CG 3.42Å; A177-I194 HydrophobicContact CB-CG1 3.79Å; A177-Y197 HydrophobicContact CB-CD2 3.96Å; A177-Y197 HydrophobicContact CB-CE2 3.78Å
178	H	94.1	Very high	88.9	Confident	45 Å²	45	36.9 Å²	36.9	21%	0.208	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-48.9	175.8	-175.3	-81.9	0	0	0	111.7	A174 S175 A176 F180 F181 V182 F208 D210	A174-H178 WeakPolarHBondContact O-CB 3.44Å; A174-H178 PolarHBondContact O-N 2.87Å; S175-H178 PolarHBondContact O-N 3Å; A176-H178 PolarHBondContact O-N 2.97Å; H178-F180 VanDerWaalsContact C-N 3.32Å; H178-F180 PolarHBondContact O-N 3.43Å; H178-F181 PolarHBondContact O-N 3.5Å; H178-F181 VanDerWaalsContact O-N 3.07Å; H178-V182 WeakPolarHBondContact O-CG2 3.06Å; H178-V182 PolarHBondContact O-N 3.16Å; H178-F208 HydrophobicContact CB-CB 4.49Å; H178-F208 HydrophobicContact CB-CD1 4.3Å; H178-F208 PolarHBondContact CD2-O 3.27Å; H178-F208 PolarHBondContact CE1-O 3.36Å; H178-F208 PolarHBondContact NE2-O 3.05Å; H178-D210 PolarHBondContact ND1-N 3.24Å
179	T	95.1	Very high	87.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.3	-42.7	-180	-58.3	0	0	0	0	112.2	R154 Y157 S175 A176 D210 R211 E212	R154-T179 VanDerWaalsContact CD-O 3.29Å; R154-T179 WeakPolarHBondContact CD-O 3.41Å; R154-T179 PolarHBondContact NH1-O 3.29Å; Y157-T179 HydrophobicContact CD1-CG2 3.83Å; Y157-T179 HydrophobicContact CD2-CG2 3.64Å; Y157-T179 HydrophobicContact CE1-CG2 3.76Å; Y157-T179 HydrophobicContact CE2-CG2 3.56Å; Y157-T179 HydrophobicContact CG-CG2 3.75Å; S175-T179 WeakPolarHBondContact O-CB 3.28Å; S175-T179 PolarHBondContact O-N 3.4Å; S175-T179 PolarHBondContact O-OG1 3.18Å; A176-T179 PolarHBondContact O-N 2.97Å; T179-D210 WeakPolarHBondContact CG2-OD1 3.21Å; T179-R211 HydrophobicContact CG2-CB 4.14Å; T179-R211 WeakPolarHBondContact OG1-CB 3.32Å; T179-R211 WeakPolarHBondContact OG1-CG 3.33Å; T179-R211 PolarHBondContact OG1-N 3.09Å; T179-R211 VanDerWaalsContact OG1-N 3.07Å; T179-E212 HydrophobicContact CG2-CG 4.19Å
180	F	94.3	Very high	87.1	Confident	5 Å²	5	32.6 Å²	32.6	2%	0.022	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-42	174.5	177.5	-103.7	0	0	0	112.4	R154 N155 N158 A176 A177 H178 V182 A183 N184 H187 M190	R154-F180 WeakPolarHBondContact O-CD2 3.2Å; N155-F180 HydrophobicContact CB-CE2 4.47Å; N158-F180 HydrophobicContact CB-CD1 4.29Å; N158-F180 HydrophobicContact CB-CD2 3.72Å; N158-F180 HydrophobicContact CB-CE1 4.28Å; N158-F180 HydrophobicContact CB-CE2 3.72Å; N158-F180 HydrophobicContact CB-CG 4Å; N158-F180 HydrophobicContact CB-CZ 3.99Å; A176-F180 PolarHBondContact O-N 3.36Å; A177-F180 PolarHBondContact O-N 3.49Å; H178-F180 VanDerWaalsContact C-N 3.32Å; H178-F180 PolarHBondContact O-N 3.43Å; F180-V182 VanDerWaalsContact C-N 3.33Å; F180-V182 PolarHBondContact O-N 2.83Å; F180-A183 PolarHBondContact O-N 3.02Å; F180-N184 HydrophobicContact CD1-CB 4.43Å; F180-N184 WeakPolarHBondContact CD2-ND2 3.38Å; F180-N184 HydrophobicContact CE1-CB 4.03Å; F180-N184 HydrophobicContact CE2-CB 4.5Å; F180-N184 WeakPolarHBondContact CE2-ND2 3.45Å; F180-N184 HydrophobicContact CZ-CB 4.07Å; F180-N184 PolarHBondContact O-N 3.38Å; F180-N184 VanDerWaalsContact O-N 3.09Å; F180-N184 PolarHBondContact O-ND2 3.4Å; F180-H187 HydrophobicContact CE1-CB 4.06Å; F180-H187 AromaticContact CE1-CD2 3.84Å; F180-H187 AromaticContact CE1-CE1 3.97Å; F180-H187 AromaticContact CE1-CG 3.65Å; F180-H187 AromaticContact CE1-ND1 3.76Å; F180-M190 HydrophobicContact CB-CE 4.09Å; F180-M190 HydrophobicContact CD1-CB 3.99Å; F180-M190 HydrophobicContact CD1-CE 3.25Å; F180-M190 HydrophobicContact CD1-CG 3.84Å; F180-M190 HydrophobicContact CD1-SD 4.35Å; F180-M190 HydrophobicContact CE1-CB 4.28Å; F180-M190 HydrophobicContact CE1-CE 3.88Å; F180-M190 HydrophobicContact CG-CE 3.89Å
181	F	89.4	Confident	86.3	Confident	44 Å²	44	34.5 Å²	34.5	19%	0.193	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-33.8	-177	-176.5	-104	0	0	0	112.9	A177 H178 A183 N184 P185 M190 R191 I194	A177-F181 WeakPolarHBondContact O-CB 3.39Å; A177-F181 PolarHBondContact O-N 3.37Å; H178-F181 PolarHBondContact O-N 3.5Å; H178-F181 VanDerWaalsContact O-N 3.07Å; F181-A183 VanDerWaalsContact C-N 3.27Å; F181-A183 PolarHBondContact O-N 3Å; F181-N184 CarbonylContact O-C 3.58Å; F181-N184 PolarHBondContact O-N 2.81Å; F181-P185 WeakPolarHBondContact CE2-O 3.45Å; F181-P185 WeakPolarHBondContact CZ-O 3.45Å; F181-P185 WeakPolarHBondContact O-CA 3.29Å; F181-P185 VanDerWaalsContact O-N 3.07Å; F181-M190 HydrophobicContact CB-CG 3.92Å; F181-M190 HydrophobicContact CD2-CB 4.2Å; F181-M190 HydrophobicContact CD2-CG 4.46Å; F181-R191 HydrophobicContact CE2-CB 3.87Å; F181-R191 HydrophobicContact CE2-CG 4.42Å; F181-R191 HydrophobicContact CZ-CB 4.39Å; F181-R191 HydrophobicContact CZ-CG 4.46Å; F181-I194 HydrophobicContact CB-CD1 3.49Å; F181-I194 VanDerWaalsContact CB-CD1 3.49Å; F181-I194 HydrophobicContact CD1-CD1 4.01Å; F181-I194 HydrophobicContact CD2-CD1 4.36Å; F181-I194 HydrophobicContact CG-CD1 3.69Å
182	V	89.1	Confident	85.2	Confident	43 Å²	43	33 Å²	33	26%	0.261	17%	0.17	S	C	.	.	H	α-helix	trans	-57.5	-41.4	173.6	169.5	0	0	0	0	111.4	H178 F180 N184 D210 P304	H178-V182 WeakPolarHBondContact O-CG2 3.06Å; H178-V182 PolarHBondContact O-N 3.16Å; F180-V182 VanDerWaalsContact C-N 3.33Å; F180-V182 PolarHBondContact O-N 2.83Å; V182-N184 VanDerWaalsContact C-N 3.34Å; V182-D210 HydrophobicContact CG2-CB 4.27Å; V182-P304 HydrophobicContact CG1-CB 3.97Å
183	A	86.5	Confident	84.5	Confident	12 Å²	12	29.9 Å²	29.9	10%	0.099	16%	0.159	C	C	.	.	H	α-helix	trans	-83.2	-7.4	175.5	0	0	0	0	0	114.1	R154 F180 F181 G305	R154-A183 HydrophobicContact CB-CB 4.06Å; R154-A183 HydrophobicContact CG-CB 3.74Å; F180-A183 PolarHBondContact O-N 3.02Å; F181-A183 VanDerWaalsContact C-N 3.27Å; F181-A183 PolarHBondContact O-N 3Å; A183-G305 VanDerWaalsContact O-CA 3.29Å; A183-G305 WeakPolarHBondContact O-CA 3.33Å
184	N	81.1	Confident	83.9	Confident	33 Å²	33	30.4 Å²	30.4	18%	0.176	16%	0.162	C	C	.	.			trans	-144.1	63.2	-176	-57.8	-93.7	0	0	0	111.2	T153 F180 F181 V182 S186 H187	T153-N184 PolarHBondContact O-ND2 2.94Å; F180-N184 HydrophobicContact CD1-CB 4.43Å; F180-N184 WeakPolarHBondContact CD2-ND2 3.38Å; F180-N184 HydrophobicContact CE1-CB 4.03Å; F180-N184 HydrophobicContact CE2-CB 4.5Å; F180-N184 WeakPolarHBondContact CE2-ND2 3.45Å; F180-N184 HydrophobicContact CZ-CB 4.07Å; F180-N184 PolarHBondContact O-N 3.38Å; F180-N184 VanDerWaalsContact O-N 3.09Å; F180-N184 PolarHBondContact O-ND2 3.4Å; F181-N184 CarbonylContact O-C 3.58Å; F181-N184 PolarHBondContact O-N 2.81Å; V182-N184 VanDerWaalsContact C-N 3.34Å; N184-S186 PolarHBondContact O-N 2.78Å; N184-S186 VanDerWaalsContact O-N 3.13Å; N184-H187 HydrophobicContact CB-CB 3.98Å; N184-H187 VanDerWaalsContact O-CB 3.26Å; N184-H187 WeakPolarHBondContact O-CB 3.36Å; N184-H187 PolarHBondContact O-N 2.91Å
185	P	75.8	Confident	83.3	Confident	57 Å²	57	33 Å²	33	37%	0.37	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.4	-169.7	24.9	-35.1	0	0	0	114.2	F181 R191	F181-P185 WeakPolarHBondContact CE2-O 3.45Å; F181-P185 WeakPolarHBondContact CZ-O 3.45Å; F181-P185 WeakPolarHBondContact O-CA 3.29Å; F181-P185 VanDerWaalsContact O-N 3.07Å; P185-R191 PolarHBondContact O-NH2 3.25Å; P185-R191 VanDerWaalsContact O-NH2 3.08Å
186	S	70.7	Confident	82.6	Confident	58 Å²	58	36.2 Å²	36.2	41%	0.406	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.7	175.2	56.3	0	0	0	0	113.8	N184 L188 P606	N184-S186 PolarHBondContact O-N 2.78Å; N184-S186 VanDerWaalsContact O-N 3.13Å; S186-L188 PolarHBondContact O-N 2.88Å; S186-P606 WeakPolarHBondContact OG-CG 3.3Å
187	H	70.8	Confident	82.2	Confident	52 Å²	52	36.5 Å²	36.5	24%	0.241	19%	0.186	C	C	.	.			trans	-74.8	92.1	-174.6	-165.8	-87.4	0	0	0	111.7	F180 N184 E189 M190 R191	F180-H187 HydrophobicContact CE1-CB 4.06Å; F180-H187 AromaticContact CE1-CD2 3.84Å; F180-H187 AromaticContact CE1-CE1 3.97Å; F180-H187 AromaticContact CE1-CG 3.65Å; F180-H187 AromaticContact CE1-ND1 3.76Å; N184-H187 HydrophobicContact CB-CB 3.98Å; N184-H187 VanDerWaalsContact O-CB 3.26Å; N184-H187 WeakPolarHBondContact O-CB 3.36Å; N184-H187 PolarHBondContact O-N 2.91Å; H187-E189 VanDerWaalsContact C-N 3.26Å; H187-E189 PolarHBondContact O-N 3.04Å; H187-M190 HydrophobicContact CB-CB 4.32Å; H187-M190 WeakPolarHBondContact ND1-CB 3.5Å; H187-M190 PolarHBondContact ND1-N 2.88Å; H187-M190 VanDerWaalsContact ND1-N 3.13Å; H187-M190 PolarHBondContact O-N 3.26Å; H187-R191 PolarHBondContact O-N 2.66Å; H187-R191 VanDerWaalsContact O-N 3.16Å
188	L	69.3	Low	81.8	Confident	31 Å²	31	41.3 Å²	41.3	16%	0.162	20%	0.204	C	C	.	.	H	α-helix	trans	-55.9	-36	-175.2	-61.9	177.8	0	0	0	113.5	S186 M190 N192 Y501 R504 L745	S186-L188 PolarHBondContact O-N 2.88Å; L188-M190 VanDerWaalsContact C-N 3.28Å; L188-M190 PolarHBondContact O-N 3.31Å; L188-N192 PolarHBondContact O-N 3.04Å; L188-N192 PolarHBondContact O-ND2 2.73Å; L188-Y501 HydrophobicContact CD1-CD1 3.98Å; L188-Y501 HydrophobicContact CD1-CE1 3.98Å; L188-R504 PolarHBondContact O-NH1 2.91Å; L188-L745 WeakPolarHBondContact CD1-O 3.31Å
189	E	71.4	Confident	81.4	Confident	70 Å²	70	44.5 Å²	44.5	33%	0.327	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-37.6	177	-34.1	-143.1	128.3	0	0	112.1	H187 N193 R502 R504	H187-E189 VanDerWaalsContact C-N 3.26Å; H187-E189 PolarHBondContact O-N 3.04Å; E189-N193 VanDerWaalsContact O-CG 3.22Å; E189-N193 PolarHBondContact O-N 3.41Å; E189-N193 VanDerWaalsContact O-N 3.15Å; E189-N193 PolarHBondContact O-ND2 2.67Å; E189-R502 IonicContact OE1-NH1 3.94Å; E189-R502 PolarHBondContact OE1-NH1 3.3Å; E189-R504 VanDerWaalsContact CA-NH2 3.29Å; E189-R504 VanDerWaalsContact N-NH1 3.17Å; E189-R504 IonicContact OE1-CZ 3.51Å; E189-R504 IonicContact OE1-NH2 3.95Å; E189-R504 PolarHBondContact OE1-NH2 3.05Å; E189-R504 IonicContact OE2-NH2 2.89Å
190	M	81.1	Confident	81	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-75.7	-40.9	-177.3	-165.6	61	70.9	0	0	110.9	N158 Q161 A177 F180 F181 H187 L188 N192 N193 I194	N158-M190 HydrophobicContact CB-CE 4.3Å; N158-M190 VanDerWaalsContact OD1-CE 3.29Å; N158-M190 WeakPolarHBondContact OD1-CE 3.44Å; Q161-M190 HydrophobicContact CG-CE 3.68Å; Q161-M190 HydrophobicContact CG-SD 3.96Å; A177-M190 VanDerWaalsContact CA-SD 3.51Å; A177-M190 HydrophobicContact CB-CG 4.28Å; A177-M190 HydrophobicContact CB-SD 3.4Å; A177-M190 WeakPolarHBondContact CB-SD 3.07Å; A177-M190 VanDerWaalsContact O-CG 3.31Å; A177-M190 WeakPolarHBondContact O-CG 3.42Å; F180-M190 HydrophobicContact CB-CE 4.09Å; F180-M190 HydrophobicContact CD1-CB 3.99Å; F180-M190 HydrophobicContact CD1-CE 3.25Å; F180-M190 HydrophobicContact CD1-CG 3.84Å; F180-M190 HydrophobicContact CD1-SD 4.35Å; F180-M190 HydrophobicContact CE1-CB 4.28Å; F180-M190 HydrophobicContact CE1-CE 3.88Å; F180-M190 HydrophobicContact CG-CE 3.89Å; F181-M190 HydrophobicContact CB-CG 3.92Å; F181-M190 HydrophobicContact CD2-CB 4.2Å; F181-M190 HydrophobicContact CD2-CG 4.46Å; H187-M190 HydrophobicContact CB-CB 4.32Å; H187-M190 WeakPolarHBondContact ND1-CB 3.5Å; H187-M190 PolarHBondContact ND1-N 2.88Å; H187-M190 VanDerWaalsContact ND1-N 3.13Å; H187-M190 PolarHBondContact O-N 3.26Å; L188-M190 VanDerWaalsContact C-N 3.28Å; L188-M190 PolarHBondContact O-N 3.31Å; M190-N192 VanDerWaalsContact C-N 3.26Å; M190-N192 PolarHBondContact O-N 3.31Å; M190-N193 PolarHBondContact O-N 2.74Å; M190-N193 HydrophobicContact SD-CB 4.25Å; M190-I194 HydrophobicContact CG-CD1 4.15Å; M190-I194 HydrophobicContact CG-CG1 4.39Å; M190-I194 WeakPolarHBondContact O-CG1 3.27Å; M190-I194 PolarHBondContact O-N 3.05Å
191	R	76.9	Confident	80.6	Confident	73 Å²	73	55.8 Å²	55.8	28%	0.275	27%	0.268	S	S	.	.	H	α-helix	trans	-51.9	-47.1	174.2	-171.2	179.4	-66.9	-178.9	-0.4	111.7	F181 P185 H187 N193 I194 E195	F181-R191 HydrophobicContact CE2-CB 3.87Å; F181-R191 HydrophobicContact CE2-CG 4.42Å; F181-R191 HydrophobicContact CZ-CB 4.39Å; F181-R191 HydrophobicContact CZ-CG 4.46Å; P185-R191 PolarHBondContact O-NH2 3.25Å; P185-R191 VanDerWaalsContact O-NH2 3.08Å; H187-R191 PolarHBondContact O-N 2.66Å; H187-R191 VanDerWaalsContact O-N 3.16Å; R191-N193 PolarHBondContact O-N 3.37Å; R191-I194 PolarHBondContact O-N 3.28Å; R191-E195 PolarHBondContact O-N 2.83Å; R191-E195 VanDerWaalsContact O-N 3.1Å
192	N	70.3	Confident	80.3	Confident	34 Å²	34	56.3 Å²	56.3	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-37.9	177.9	-71.5	-23.1	0	0	0	113	L188 M190 K196 R504 P507	L188-N192 PolarHBondContact O-N 3.04Å; L188-N192 PolarHBondContact O-ND2 2.73Å; M190-N192 VanDerWaalsContact C-N 3.26Å; M190-N192 PolarHBondContact O-N 3.31Å; N192-K196 WeakPolarHBondContact O-CB 3.35Å; N192-K196 PolarHBondContact O-N 2.92Å; N192-R504 PolarHBondContact ND2-NH1 2.81Å; N192-P507 PolarHBondContact OD1-O 3.41Å
193	N	79.8	Confident	80.3	Confident	46 Å²	46	55.2 Å²	55.2	25%	0.246	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-40.9	176.2	-69.4	-19.3	0	0	0	111.4	Q161 E189 M190 R191 K196 Y197	Q161-N193 PolarHBondContact NE2-ND2 2.9Å; E189-N193 VanDerWaalsContact O-CG 3.22Å; E189-N193 PolarHBondContact O-N 3.41Å; E189-N193 VanDerWaalsContact O-N 3.15Å; E189-N193 PolarHBondContact O-ND2 2.67Å; M190-N193 PolarHBondContact O-N 2.74Å; M190-N193 HydrophobicContact SD-CB 4.25Å; R191-N193 PolarHBondContact O-N 3.37Å; N193-K196 WeakPolarHBondContact O-CB 3.17Å; N193-K196 PolarHBondContact O-N 3.01Å; N193-Y197 HydrophobicContact CB-CD2 4.49Å; N193-Y197 HydrophobicContact CB-CE2 3.96Å; N193-Y197 WeakPolarHBondContact O-CD2 3.25Å; N193-Y197 PolarHBondContact O-N 3.37Å
194	I	84.3	Confident	80.5	Confident	10 Å²	10	58 Å²	58	5%	0.051	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-50	175.6	-70.7	172.2	0	0	0	110.8	A177 F181 M190 R191 K196 Y197 R198 F208	A177-I194 HydrophobicContact CB-CG1 3.79Å; F181-I194 HydrophobicContact CB-CD1 3.49Å; F181-I194 VanDerWaalsContact CB-CD1 3.49Å; F181-I194 HydrophobicContact CD1-CD1 4.01Å; F181-I194 HydrophobicContact CD2-CD1 4.36Å; F181-I194 HydrophobicContact CG-CD1 3.69Å; M190-I194 HydrophobicContact CG-CD1 4.15Å; M190-I194 HydrophobicContact CG-CG1 4.39Å; M190-I194 WeakPolarHBondContact O-CG1 3.27Å; M190-I194 PolarHBondContact O-N 3.05Å; R191-I194 PolarHBondContact O-N 3.28Å; I194-K196 VanDerWaalsContact C-N 3.28Å; I194-K196 PolarHBondContact O-N 3.13Å; I194-Y197 PolarHBondContact O-N 3.3Å; I194-Y197 VanDerWaalsContact O-N 3.1Å; I194-R198 PolarHBondContact O-N 2.94Å; I194-F208 HydrophobicContact CB-CE1 4.48Å; I194-F208 HydrophobicContact CG2-CD1 3.91Å; I194-F208 HydrophobicContact CG2-CE1 3.68Å
195	E	81.8	Confident	80.8	Confident	56 Å²	56	62.2 Å²	62.2	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-39	176.9	-71.2	-55.1	146.5	0	0	112.3	R191 R198 R199 P510	R191-E195 PolarHBondContact O-N 2.83Å; R191-E195 VanDerWaalsContact O-N 3.1Å; E195-R198 PolarHBondContact O-N 3.26Å; E195-R198 IonicContact OE1-CZ 3.64Å; E195-R198 IonicContact OE1-NH1 3.73Å; E195-R198 PolarHBondContact OE1-NH1 3.37Å; E195-R198 IonicContact OE2-NH1 3.3Å; E195-R198 PolarHBondContact OE2-NH1 3Å; E195-R199 WeakPolarHBondContact O-CG 3.34Å; E195-R199 PolarHBondContact O-N 3.35Å; E195-P510 HydrophobicContact CB-CG 4.47Å
196	K	81.4	Confident	81.4	Confident	92 Å²	92	65.1 Å²	65.1	40%	0.4	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-44.7	174	-176	-169.6	-179.9	-168.2	0	111.2	N192 N193 I194 R199 M200	N192-K196 WeakPolarHBondContact O-CB 3.35Å; N192-K196 PolarHBondContact O-N 2.92Å; N193-K196 WeakPolarHBondContact O-CB 3.17Å; N193-K196 PolarHBondContact O-N 3.01Å; I194-K196 VanDerWaalsContact C-N 3.28Å; I194-K196 PolarHBondContact O-N 3.13Å; K196-R199 PolarHBondContact O-N 3.01Å; K196-M200 HydrophobicContact CD-CE 3.99Å; K196-M200 VanDerWaalsContact CE-CE 3.47Å; K196-M200 HydrophobicContact CG-CE 3.82Å; K196-M200 WeakPolarHBondContact O-CG 3.28Å
197	Y	87.3	Confident	82.3	Confident	5 Å²	5	62.6 Å²	62.6	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-37.9	178.3	-64.7	-40.6	0	0	0	112.3	Q161 W165 A173 A174 A177 N193 I194 R199 M200 V203	Q161-Y197 PolarHBondContact OE1-OH 3.28Å; W165-Y197 HydrophobicContact CB-CE1 4.21Å; W165-Y197 AromaticContact CD1-CE1 3.74Å; W165-Y197 HydrophobicContact CG-CE1 4.11Å; A173-Y197 HydrophobicContact CB-CE1 4Å; A173-Y197 HydrophobicContact CB-CE2 4.18Å; A174-Y197 HydrophobicContact CB-CD2 4.35Å; A174-Y197 HydrophobicContact CB-CG 4.29Å; A177-Y197 HydrophobicContact CB-CD2 3.96Å; A177-Y197 HydrophobicContact CB-CE2 3.78Å; N193-Y197 HydrophobicContact CB-CD2 4.49Å; N193-Y197 HydrophobicContact CB-CE2 3.96Å; N193-Y197 WeakPolarHBondContact O-CD2 3.25Å; N193-Y197 PolarHBondContact O-N 3.37Å; I194-Y197 PolarHBondContact O-N 3.3Å; I194-Y197 VanDerWaalsContact O-N 3.1Å; Y197-R199 PolarHBondContact O-N 2.92Å; Y197-M200 HydrophobicContact CD1-CE 4.26Å; Y197-M200 HydrophobicContact CD1-SD 3.81Å; Y197-M200 HydrophobicContact CE1-CE 4.48Å; Y197-M200 HydrophobicContact CE1-SD 4.38Å; Y197-M200 WeakPolarHBondContact O-CB 3.23Å; Y197-M200 PolarHBondContact O-N 2.84Å; Y197-V203 WeakPolarHBondContact O-CB 3.28Å; Y197-V203 WeakPolarHBondContact O-CG2 3.28Å
198	R	86.8	Confident	83.3	Confident	101 Å²	101	61.2 Å²	61.2	38%	0.381	30%	0.301	S	S	.	.	H	α-helix	trans	-59.6	-30	177.6	-167.9	-178.5	-74.9	134.3	-2.9	112.7	I194 E195 E205 F208	I194-R198 PolarHBondContact O-N 2.94Å; E195-R198 PolarHBondContact O-N 3.26Å; E195-R198 IonicContact OE1-CZ 3.64Å; E195-R198 IonicContact OE1-NH1 3.73Å; E195-R198 PolarHBondContact OE1-NH1 3.37Å; E195-R198 IonicContact OE2-NH1 3.3Å; E195-R198 PolarHBondContact OE2-NH1 3Å; R198-E205 IonicContact NE-OE1 3.61Å; R198-F208 HydrophobicContact CB-CE2 4.21Å; R198-F208 HydrophobicContact CB-CZ 3.85Å; R198-F208 HydrophobicContact CG-CE2 4.26Å; R198-F208 HydrophobicContact CG-CZ 4.39Å
199	R	87	Confident	84.2	Confident	112 Å²	112	65 Å²	65	42%	0.423	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.2	179.1	-62.2	170.5	-169.8	-140.6	-7.7	114.2	E195 K196 Y197 P510 H511	E195-R199 WeakPolarHBondContact O-CG 3.34Å; E195-R199 PolarHBondContact O-N 3.35Å; K196-R199 PolarHBondContact O-N 3.01Å; Y197-R199 PolarHBondContact O-N 2.92Å; R199-P510 VanDerWaalsContact CZ-CG 3.41Å; R199-P510 VanDerWaalsContact NH1-CB 3.32Å; R199-H511 PolarHBondContact NH1-CE1 2.87Å; R199-H511 PolarHBondContact NH2-CE1 3.27Å; R199-H511 VanDerWaalsContact NH2-CE1 3.31Å; R199-H511 PolarHBondContact NH2-NE2 3.5Å
200	M	87.1	Confident	85.1	Confident	47 Å²	47	63 Å²	63	23%	0.232	31%	0.31	C	S	.	.	S	Bend	trans	-80.4	139.3	-177.9	-73.8	-179.2	178.3	0	0	111.4	V170 K196 Y197 G202 V203	V170-M200 HydrophobicContact CB-SD 4.36Å; V170-M200 HydrophobicContact CG1-SD 3.87Å; K196-M200 HydrophobicContact CD-CE 3.99Å; K196-M200 VanDerWaalsContact CE-CE 3.47Å; K196-M200 HydrophobicContact CG-CE 3.82Å; K196-M200 WeakPolarHBondContact O-CG 3.28Å; Y197-M200 HydrophobicContact CD1-CE 4.26Å; Y197-M200 HydrophobicContact CD1-SD 3.81Å; Y197-M200 HydrophobicContact CE1-CE 4.48Å; Y197-M200 HydrophobicContact CE1-SD 4.38Å; Y197-M200 WeakPolarHBondContact O-CB 3.23Å; Y197-M200 PolarHBondContact O-N 2.84Å; M200-G202 PolarHBondContact O-N 2.82Å; M200-V203 HydrophobicContact CB-CG2 4.12Å; M200-V203 PolarHBondContact O-N 2.91Å
201	E	85.3	Confident	85.7	Confident	196 Å²	196	67.6 Å²	67.6	92%	0.916	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	130.4	173.3	-166.9	176.9	-178	0	0	110.4
202	G	82.8	Confident	86.3	Confident	54 Å²	54	65 Å²	65	56%	0.557	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-1	-179.1	0	0	0	0	0	115.4	Q171 M200	Q171-G202 WeakPolarHBondContact CG-O 3.32Å; Q171-G202 PolarHBondContact NE2-O 2.97Å; M200-G202 PolarHBondContact O-N 2.82Å
203	V	88.9	Confident	87.2	Confident	21 Å²	21	67.4 Å²	67.4	13%	0.127	33%	0.329	C	S	.	.			trans	-94.2	130.9	169.3	-176.8	0	0	0	0	109.8	V170 A174 Y197 M200 A207 F208	V170-V203 HydrophobicContact CB-CG2 3.9Å; V170-V203 HydrophobicContact CG2-CG2 3.74Å; A174-V203 HydrophobicContact CB-CG1 3.92Å; Y197-V203 WeakPolarHBondContact O-CB 3.28Å; Y197-V203 WeakPolarHBondContact O-CG2 3.28Å; M200-V203 HydrophobicContact CB-CG2 4.12Å; M200-V203 PolarHBondContact O-N 2.91Å; V203-A207 HydrophobicContact CG1-CB 3.9Å; V203-F208 HydrophobicContact CG1-CE2 3.81Å; V203-F208 HydrophobicContact CG1-CZ 3.87Å
204	T	90.8	Very high	87.4	Confident	70 Å²	70	71.5 Å²	71.5	43%	0.429	35%	0.347	S	S	.	.			trans	-113	161.4	178.3	52.8	0	0	0	0	109.4	Q171 D206 A207	Q171-T204 PolarHBondContact NE2-OG1 3.4Å; T204-D206 PolarHBondContact O-N 3.12Å; T204-A207 WeakPolarHBondContact O-CB 3.41Å; T204-A207 PolarHBondContact O-N 2.67Å
205	E	87.1	Confident	87.3	Confident	122 Å²	122	74.1 Å²	74.1	57%	0.57	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-58.8	-28.9	177.5	-71.8	-59.7	138.3	0	0	112.5	R198 A207 F208	R198-E205 IonicContact NE-OE1 3.61Å; E205-A207 PolarHBondContact O-N 3.12Å; E205-F208 PolarHBondContact O-N 3Å
206	D	88.6	Confident	87.5	Confident	118 Å²	118	74 Å²	74	63%	0.631	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-59.9	-18.7	174.2	-57.7	-39.7	0	0	0	114	T204 F208	T204-D206 PolarHBondContact O-N 3.12Å; D206-F208 PolarHBondContact O-N 3.42Å
207	A	89.6	Confident	88	Confident	5 Å²	5	73.7 Å²	73.7	4%	0.041	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-69.1	-23	176.4	0	0	0	0	0	112.5	A174 S175 V203 T204 E205 Q209	A174-A207 HydrophobicContact CB-CB 3.81Å; S175-A207 WeakPolarHBondContact CA-O 3.44Å; S175-A207 WeakPolarHBondContact CB-O 3.25Å; S175-A207 PolarHBondContact N-O 2.78Å; V203-A207 HydrophobicContact CG1-CB 3.9Å; T204-A207 WeakPolarHBondContact O-CB 3.41Å; T204-A207 PolarHBondContact O-N 2.67Å; E205-A207 PolarHBondContact O-N 3.12Å; A207-Q209 VanDerWaalsContact C-N 3.28Å; A207-Q209 PolarHBondContact O-N 2.7Å
208	F	91.4	Very high	88.3	Confident	22 Å²	22	73.7 Å²	73.7	10%	0.096	36%	0.362	C	S	.	.			trans	-95.2	54.2	-174.3	-58.2	-78.6	0	0	0	110.9	A174 H178 I194 R198 V203 E205 D206	A174-F208 HydrophobicContact CB-CD1 4.44Å; A174-F208 HydrophobicContact CB-CE1 3.85Å; A174-F208 HydrophobicContact CB-CZ 4Å; H178-F208 HydrophobicContact CB-CB 4.49Å; H178-F208 HydrophobicContact CB-CD1 4.3Å; H178-F208 PolarHBondContact CD2-O 3.27Å; H178-F208 PolarHBondContact CE1-O 3.36Å; H178-F208 PolarHBondContact NE2-O 3.05Å; I194-F208 HydrophobicContact CB-CE1 4.48Å; I194-F208 HydrophobicContact CG2-CD1 3.91Å; I194-F208 HydrophobicContact CG2-CE1 3.68Å; R198-F208 HydrophobicContact CB-CE2 4.21Å; R198-F208 HydrophobicContact CB-CZ 3.85Å; R198-F208 HydrophobicContact CG-CE2 4.26Å; R198-F208 HydrophobicContact CG-CZ 4.39Å; V203-F208 HydrophobicContact CG1-CE2 3.81Å; V203-F208 HydrophobicContact CG1-CZ 3.87Å; E205-F208 PolarHBondContact O-N 3Å; D206-F208 PolarHBondContact O-N 3.42Å
209	Q	88.2	Confident	88.6	Confident	112 Å²	112	69.6 Å²	69.6	52%	0.523	35%	0.346	S	S	.	.			trans	-112.4	139.4	173.6	-66.8	-179.6	8.3	0	0	109.6	A207 R211	A207-Q209 VanDerWaalsContact C-N 3.28Å; A207-Q209 PolarHBondContact O-N 2.7Å; Q209-R211 PolarHBondContact O-N 2.94Å
210	D	91.3	Very high	88.8	Confident	26 Å²	26	66.2 Å²	66.2	14%	0.139	34%	0.343	C	S	.	.			trans	-68.3	117.6	173.3	-177.2	6.7	0	0	0	110.2	R154 H178 T179 V182 E212 M213	R154-D210 IonicContact CZ-OD1 3.26Å; R154-D210 IonicContact CZ-OD2 3.78Å; R154-D210 VanDerWaalsContact CZ-OD2 3.31Å; R154-D210 IonicContact NH1-OD1 3.46Å; R154-D210 PolarHBondContact NH1-OD1 2.85Å; R154-D210 IonicContact NH1-OD2 3.42Å; R154-D210 PolarHBondContact NH1-OD2 2.93Å; R154-D210 IonicContact NH2-OD1 3.02Å; R154-D210 IonicContact NH2-OD2 3.79Å; R154-D210 PolarHBondContact NH2-OD2 3.13Å; H178-D210 PolarHBondContact ND1-N 3.24Å; T179-D210 WeakPolarHBondContact CG2-OD1 3.21Å; V182-D210 HydrophobicContact CG2-CB 4.27Å; D210-E212 PolarHBondContact O-N 2.84Å; D210-E212 PolarHBondContact OD1-N 3.29Å; D210-M213 HydrophobicContact CB-CB 4.18Å; D210-M213 WeakPolarHBondContact O-CB 3.29Å; D210-M213 PolarHBondContact O-N 2.9Å
211	R	92.4	Very high	89.2	Confident	97 Å²	97	64.6 Å²	64.6	37%	0.366	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.3	179.2	-67.6	175.2	57.7	-178.5	-3.2	112.9	E73 Y157 S175 T179 Q209	E73-R211 IonicContact OE1-CZ 2.94Å; E73-R211 IonicContact OE1-NH1 2.82Å; E73-R211 PolarHBondContact OE1-NH1 2.61Å; E73-R211 IonicContact OE1-NH2 2.96Å; E73-R211 PolarHBondContact OE1-NH2 3.06Å; E73-R211 IonicContact OE2-CZ 2.83Å; E73-R211 IonicContact OE2-NH1 3.47Å; E73-R211 IonicContact OE2-NH2 3.82Å; E73-R211 PolarHBondContact OE2-NH2 2.59Å; Y157-R211 HydrophobicContact CE1-CB 4.25Å; S175-R211 WeakPolarHBondContact OG-CD 3.36Å; S175-R211 VanDerWaalsContact OG-CG 3.32Å; S175-R211 WeakPolarHBondContact OG-CG 3.24Å; T179-R211 HydrophobicContact CG2-CB 4.14Å; T179-R211 WeakPolarHBondContact OG1-CB 3.32Å; T179-R211 WeakPolarHBondContact OG1-CG 3.33Å; T179-R211 PolarHBondContact OG1-N 3.09Å; T179-R211 VanDerWaalsContact OG1-N 3.07Å; Q209-R211 PolarHBondContact O-N 2.94Å
212	E	90.9	Very high	89.6	Confident	18 Å²	18	55.7 Å²	55.7	8%	0.084	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	3.9	-179.7	-62.1	-160	168.5	0	0	113.2	R154 Y157 T179 D210 E214 T215 E216	R154-E212 IonicContact NE-OE2 3.58Å; R154-E212 PolarHBondContact NE-OE2 3.46Å; Y157-E212 HydrophobicContact CE2-CG 4.11Å; Y157-E212 WeakPolarHBondContact CE2-OE1 3.39Å; Y157-E212 WeakPolarHBondContact OH-CG 3.42Å; Y157-E212 PolarHBondContact OH-OE1 3.05Å; T179-E212 HydrophobicContact CG2-CG 4.19Å; D210-E212 PolarHBondContact O-N 2.84Å; D210-E212 PolarHBondContact OD1-N 3.29Å; E212-E214 PolarHBondContact O-N 3.26Å; E212-E214 VanDerWaalsContact O-N 3.12Å; E212-T215 WeakPolarHBondContact O-CB 3.38Å; E212-T215 PolarHBondContact O-N 2.98Å; E212-T215 PolarHBondContact O-OG1 3.28Å; E212-E216 PolarHBondContact O-N 2.81Å
213	M	87.7	Confident	90	Very high	85 Å²	85	55.4 Å²	55.4	42%	0.419	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-38.9	-178.7	-175	176.5	65.4	0	0	113.6	D210 T215 E216 K217 A220	D210-M213 HydrophobicContact CB-CB 4.18Å; D210-M213 WeakPolarHBondContact O-CB 3.29Å; D210-M213 PolarHBondContact O-N 2.9Å; M213-T215 VanDerWaalsContact C-N 3.29Å; M213-T215 PolarHBondContact O-N 2.94Å; M213-E216 CarbonylContact O-C 3.56Å; M213-E216 PolarHBondContact O-N 3Å; M213-K217 PolarHBondContact O-N 3.37Å; M213-A220 HydrophobicContact CG-CB 4.3Å
214	E	84.2	Confident	90.2	Very high	133 Å²	133	56.3 Å²	56.3	62%	0.621	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-26.2	178.8	-69.1	-62.4	147.1	0	0	113.2	E212 E216	E212-E214 PolarHBondContact O-N 3.26Å; E212-E214 VanDerWaalsContact O-N 3.12Å; E214-E216 VanDerWaalsContact C-N 3.27Å
215	T	82.8	Confident	90.2	Very high	65 Å²	65	53 Å²	53	40%	0.399	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.9	176.6	65.7	0	0	0	0	112	E212 M213 Q251	E212-T215 WeakPolarHBondContact O-CB 3.38Å; E212-T215 PolarHBondContact O-N 2.98Å; E212-T215 PolarHBondContact O-OG1 3.28Å; M213-T215 VanDerWaalsContact C-N 3.29Å; M213-T215 PolarHBondContact O-N 2.94Å; T215-Q251 PolarHBondContact O-NE2 3.44Å
216	E	86.4	Confident	90.1	Very high	54 Å²	54	48.8 Å²	48.8	25%	0.252	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	36	-177.4	-68	169	153.7	0	0	111	R154 E212 M213 E214 H218 W219 P304	R154-E216 IonicContact CZ-OE2 3.66Å; R154-E216 IonicContact NH2-OE2 2.66Å; R154-E216 PolarHBondContact NH2-OE2 2.93Å; E212-E216 PolarHBondContact O-N 2.81Å; M213-E216 CarbonylContact O-C 3.56Å; M213-E216 PolarHBondContact O-N 3Å; E214-E216 VanDerWaalsContact C-N 3.27Å; E216-H218 PolarHBondContact O-N 3.45Å; E216-W219 PolarHBondContact O-N 2.74Å; E216-P304 VanDerWaalsContact CD-CG 3.5Å; E216-P304 WeakPolarHBondContact OE2-CG 3.39Å
217	K	90.9	Very high	90	Very high	84 Å²	84	47.7 Å²	47.7	37%	0.365	25%	0.245	S	C	.	.	H	α-helix	trans	-53.7	-29.5	-173.3	-175.8	177.4	178.5	-176.9	0	113.9	M213 W219 A220 L221 E247	M213-K217 PolarHBondContact O-N 3.37Å; K217-W219 VanDerWaalsContact C-N 3.25Å; K217-W219 PolarHBondContact O-N 2.77Å; K217-A220 PolarHBondContact O-N 2.57Å; K217-L221 HydrophobicContact CG-CD1 4.2Å; K217-L221 HydrophobicContact CG-CG 4.4Å; K217-L221 WeakPolarHBondContact O-CG 3.34Å; K217-L221 PolarHBondContact O-N 3.3Å; K217-E247 HydrophobicContact CB-CG 4.2Å; K217-E247 HydrophobicContact CG-CG 4.38Å
218	H	94.2	Very high	89.9	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-34.8	176.7	60.7	-71.8	0	0	0	112.2	E216 L221 Y222 E247 V300 F313	E216-H218 PolarHBondContact O-N 3.45Å; H218-L221 PolarHBondContact O-N 3.46Å; H218-Y222 WeakPolarHBondContact O-CB 3.29Å; H218-Y222 PolarHBondContact O-N 2.88Å; H218-E247 HydrophobicContact CB-CB 4.28Å; H218-E247 HydrophobicContact CB-CG 3.94Å; H218-V300 PolarHBondContact NE2-O 3.45Å; H218-F313 AromaticContact CD2-CE1 3.82Å; H218-F313 AromaticContact CD2-CZ 3.94Å
219	W	93.1	Very high	89.4	Confident	14 Å²	14	48.1 Å²	48.1	5%	0.053	25%	0.247	C	C	.	.	H	α-helix	trans	-69.8	-39.5	175.2	-75	121.3	0	0	0	112.8	E216 K217 L221 Y222 D223 A301 T302 R303 Q310 F313	E216-W219 PolarHBondContact O-N 2.74Å; K217-W219 VanDerWaalsContact C-N 3.25Å; K217-W219 PolarHBondContact O-N 2.77Å; W219-L221 VanDerWaalsContact C-N 3.29Å; W219-L221 PolarHBondContact O-N 3.42Å; W219-Y222 HydrophobicContact CE3-CD1 4.27Å; W219-Y222 HydrophobicContact CE3-CG 4.21Å; W219-Y222 HydrophobicContact CZ3-CD1 4.17Å; W219-Y222 HydrophobicContact CZ3-CE1 4.42Å; W219-Y222 HydrophobicContact CZ3-CG 4.26Å; W219-Y222 WeakPolarHBondContact O-CB 3.38Å; W219-Y222 PolarHBondContact O-N 2.89Å; W219-D223 PolarHBondContact O-N 3.49Å; W219-A301 WeakPolarHBondContact CZ2-O 3.42Å; W219-T302 PolarHBondContact NE1-O 3.04Å; W219-R303 HydrophobicContact CD2-CB 4.34Å; W219-R303 HydrophobicContact CD2-CG 4.04Å; W219-R303 HydrophobicContact CE3-CG 4.23Å; W219-R303 HydrophobicContact CG-CG 4.47Å; W219-R303 HydrophobicContact CH2-CB 4.11Å; W219-R303 HydrophobicContact CZ2-CB 3.81Å; W219-R303 HydrophobicContact CZ2-CG 4.41Å; W219-R303 HydrophobicContact CZ3-CB 4.48Å; W219-R303 HydrophobicContact CZ3-CG 4.49Å; W219-Q310 HydrophobicContact CH2-CB 4.46Å; W219-F313 HydrophobicContact CD2-CZ 4.41Å; W219-F313 HydrophobicContact CE3-CE2 4.25Å; W219-F313 HydrophobicContact CE3-CZ 4.18Å; W219-F313 AromaticContact CH2-CD2 3.98Å; W219-F313 HydrophobicContact CH2-CD2 3.98Å; W219-F313 AromaticContact CH2-CE2 3.31Å; W219-F313 HydrophobicContact CH2-CE2 3.31Å; W219-F313 AromaticContact CH2-CZ 3.62Å; W219-F313 HydrophobicContact CH2-CZ 3.62Å; W219-F313 HydrophobicContact CZ2-CE1 4.45Å; W219-F313 HydrophobicContact CZ2-CE2 4.01Å; W219-F313 AromaticContact CZ2-CZ 3.87Å; W219-F313 HydrophobicContact CZ2-CZ 3.87Å; W219-F313 HydrophobicContact CZ3-CD2 4.44Å; W219-F313 AromaticContact CZ3-CE2 3.46Å; W219-F313 HydrophobicContact CZ3-CE2 3.46Å; W219-F313 VanDerWaalsContact CZ3-CE2 3.46Å; W219-F313 AromaticContact CZ3-CZ 3.79Å; W219-F313 HydrophobicContact CZ3-CZ 3.79Å
220	A	92.1	Very high	89	Confident	42 Å²	42	47 Å²	47	35%	0.347	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-37.3	174.3	0	0	0	0	0	111.9	M213 K217 S224	M213-A220 HydrophobicContact CG-CB 4.3Å; K217-A220 PolarHBondContact O-N 2.57Å; A220-S224 WeakPolarHBondContact O-CB 3.3Å; A220-S224 PolarHBondContact O-N 3.03Å; A220-S224 VanDerWaalsContact O-N 3.12Å
221	L	95.1	Very high	88.7	Confident	13 Å²	13	49.7 Å²	49.7	7%	0.068	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-40.4	173.4	-69.8	168.7	0	0	0	111.7	K217 H218 W219 S224 A225 K240 E243 C244 E247	K217-L221 HydrophobicContact CG-CD1 4.2Å; K217-L221 HydrophobicContact CG-CG 4.4Å; K217-L221 WeakPolarHBondContact O-CG 3.34Å; K217-L221 PolarHBondContact O-N 3.3Å; H218-L221 PolarHBondContact O-N 3.46Å; W219-L221 VanDerWaalsContact C-N 3.29Å; W219-L221 PolarHBondContact O-N 3.42Å; L221-S224 PolarHBondContact O-N 3.43Å; L221-A225 WeakPolarHBondContact O-CB 3.42Å; L221-A225 PolarHBondContact O-N 2.79Å; L221-K240 HydrophobicContact CD2-CD 4.39Å; L221-E243 HydrophobicContact CD1-CB 4.05Å; L221-E243 HydrophobicContact CD2-CB 4.02Å; L221-E243 WeakPolarHBondContact CD2-OE2 3.38Å; L221-C244 HydrophobicContact CB-CB 3.94Å; L221-E247 HydrophobicContact CD1-CB 3.77Å; L221-E247 HydrophobicContact CD1-CG 4.05Å
222	Y	93.8	Very high	88.4	Confident	8 Å²	8	48.5 Å²	48.5	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-51.5	176.3	-167.6	-86.3	0	0	0	111.5	H218 W219 S224 A225 L226 W241 Q310 F313 Q317	H218-Y222 WeakPolarHBondContact O-CB 3.29Å; H218-Y222 PolarHBondContact O-N 2.88Å; W219-Y222 HydrophobicContact CE3-CD1 4.27Å; W219-Y222 HydrophobicContact CE3-CG 4.21Å; W219-Y222 HydrophobicContact CZ3-CD1 4.17Å; W219-Y222 HydrophobicContact CZ3-CE1 4.42Å; W219-Y222 HydrophobicContact CZ3-CG 4.26Å; W219-Y222 WeakPolarHBondContact O-CB 3.38Å; W219-Y222 PolarHBondContact O-N 2.89Å; Y222-S224 VanDerWaalsContact C-N 3.32Å; Y222-S224 PolarHBondContact O-N 2.95Å; Y222-A225 PolarHBondContact O-N 3.42Å; Y222-A225 VanDerWaalsContact O-N 3.15Å; Y222-L226 HydrophobicContact CD1-CD1 3.75Å; Y222-L226 HydrophobicContact CD1-CG 4.31Å; Y222-L226 HydrophobicContact CE1-CD1 3.43Å; Y222-L226 VanDerWaalsContact CE1-CD1 3.43Å; Y222-L226 HydrophobicContact CE1-CG 4.13Å; Y222-L226 PolarHBondContact O-N 3.34Å; Y222-W241 AromaticContact CD2-CH2 3.83Å; Y222-W241 HydrophobicContact CD2-CH2 3.83Å; Y222-W241 AromaticContact CD2-CZ3 3.51Å; Y222-W241 HydrophobicContact CD2-CZ3 3.51Å; Y222-W241 AromaticContact CE2-CH2 3.65Å; Y222-W241 HydrophobicContact CE2-CH2 3.65Å; Y222-W241 AromaticContact CE2-CZ3 3.63Å; Y222-W241 HydrophobicContact CE2-CZ3 3.63Å; Y222-W241 HydrophobicContact CG-CH2 4.29Å; Y222-W241 HydrophobicContact CG-CZ3 4.22Å; Y222-Q310 PolarHBondContact OH-NE2 2.96Å; Y222-F313 AromaticContact CD2-CE2 3.72Å; Y222-F313 HydrophobicContact CD2-CE2 3.72Å; Y222-F313 HydrophobicContact CD2-CZ 4.18Å; Y222-F313 HydrophobicContact CE2-CD2 4.29Å; Y222-F313 AromaticContact CE2-CE2 3.66Å; Y222-F313 HydrophobicContact CE2-CE2 3.66Å; Y222-Q317 HydrophobicContact CD2-CG 4.12Å; Y222-Q317 HydrophobicContact CE2-CG 3.98Å
223	D	91	Very high	88.5	Confident	48 Å²	48	51 Å²	51	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-39.3	178.3	-69.4	-23.4	0	0	0	111.8	W219 T227 R303	W219-D223 PolarHBondContact O-N 3.49Å; D223-T227 WeakPolarHBondContact O-CB 3.28Å; D223-T227 PolarHBondContact O-N 2.99Å; D223-T227 VanDerWaalsContact O-N 3.07Å; D223-T227 PolarHBondContact O-OG1 3.03Å; D223-R303 IonicContact OD1-CZ 3.54Å; D223-R303 IonicContact OD1-NH2 2.76Å; D223-R303 PolarHBondContact OD1-NH2 3.37Å; D223-R303 IonicContact OD2-CZ 3.48Å; D223-R303 IonicContact OD2-NH2 2.76Å; D223-R303 PolarHBondContact OD2-NH2 3.3Å
224	S	92.9	Very high	88.6	Confident	40 Å²	40	49.6 Å²	49.6	28%	0.28	29%	0.288	S	S	.	.	H	α-helix	trans	-66.6	-36.5	175.3	-176.6	0	0	0	0	112.6	A220 L221 Y222 S228	A220-S224 WeakPolarHBondContact O-CB 3.3Å; A220-S224 PolarHBondContact O-N 3.03Å; A220-S224 VanDerWaalsContact O-N 3.12Å; L221-S224 PolarHBondContact O-N 3.43Å; Y222-S224 VanDerWaalsContact C-N 3.32Å; Y222-S224 PolarHBondContact O-N 2.95Å; S224-S228 PolarHBondContact O-N 3.39Å; S224-S228 VanDerWaalsContact O-N 3.17Å; S224-S228 PolarHBondContact O-OG 2.87Å
225	A	90.7	Very high	89.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.9	-47	178.8	0	0	0	0	0	110.7	L221 Y222 T227 S228 E229 K240 W241	L221-A225 WeakPolarHBondContact O-CB 3.42Å; L221-A225 PolarHBondContact O-N 2.79Å; Y222-A225 PolarHBondContact O-N 3.42Å; Y222-A225 VanDerWaalsContact O-N 3.15Å; A225-T227 VanDerWaalsContact C-N 3.31Å; A225-T227 PolarHBondContact O-N 3.38Å; A225-S228 WeakPolarHBondContact O-CB 3.02Å; A225-S228 PolarHBondContact O-N 2.76Å; A225-E229 PolarHBondContact O-N 3.42Å; A225-K240 HydrophobicContact CB-CB 3.68Å; A225-W241 HydrophobicContact CB-CD2 3.45Å; A225-W241 VanDerWaalsContact CB-CD2 3.45Å; A225-W241 VanDerWaalsContact CB-CE2 3.41Å; A225-W241 HydrophobicContact CB-CE3 3.87Å; A225-W241 HydrophobicContact CB-CG 3.85Å; A225-W241 HydrophobicContact CB-CH2 4.2Å; A225-W241 HydrophobicContact CB-CZ2 3.83Å; A225-W241 HydrophobicContact CB-CZ3 4.2Å
226	L	84.9	Confident	89.7	Confident	34 Å²	34	47.8 Å²	47.8	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-41.2	174.7	-73.2	177.2	0	0	0	112.7	Y222 S228 E229 A230 W241	Y222-L226 HydrophobicContact CD1-CD1 3.75Å; Y222-L226 HydrophobicContact CD1-CG 4.31Å; Y222-L226 HydrophobicContact CE1-CD1 3.43Å; Y222-L226 VanDerWaalsContact CE1-CD1 3.43Å; Y222-L226 HydrophobicContact CE1-CG 4.13Å; Y222-L226 PolarHBondContact O-N 3.34Å; L226-S228 VanDerWaalsContact C-N 3.29Å; L226-S228 PolarHBondContact O-N 3.35Å; L226-E229 PolarHBondContact O-N 2.98Å; L226-A230 WeakPolarHBondContact O-CB 3.18Å; L226-A230 PolarHBondContact O-N 3.28Å; L226-W241 HydrophobicContact CD2-CH2 4.15Å; L226-W241 HydrophobicContact CD2-CZ2 3.83Å; L226-W241 HydrophobicContact CG-CH2 4.19Å; L226-W241 HydrophobicContact CG-CZ2 4.11Å
227	T	86.4	Confident	89.9	Confident	96 Å²	96	45.2 Å²	45.2	59%	0.589	27%	0.269	S	S	*	.	H	α-helix	trans	-63.3	-36.9	176.5	-57.5	0	0	0	0	111.8	D223 A225 S231	D223-T227 WeakPolarHBondContact O-CB 3.28Å; D223-T227 PolarHBondContact O-N 2.99Å; D223-T227 VanDerWaalsContact O-N 3.07Å; D223-T227 PolarHBondContact O-OG1 3.03Å; A225-T227 VanDerWaalsContact C-N 3.31Å; A225-T227 PolarHBondContact O-N 3.38Å; T227-S231 PolarHBondContact O-N 3.39Å; T227-S231 VanDerWaalsContact O-N 3.1Å; T227-S231 PolarHBondContact O-OG 3.31Å
228	S	87.3	Confident	90.2	Very high	8 Å²	8	42 Å²	42	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-70.3	-39	177.5	-53.9	0	0	0	0	111.6	S224 A225 L226 S231 S232 D233 H236	S224-S228 PolarHBondContact O-N 3.39Å; S224-S228 VanDerWaalsContact O-N 3.17Å; S224-S228 PolarHBondContact O-OG 2.87Å; A225-S228 WeakPolarHBondContact O-CB 3.02Å; A225-S228 PolarHBondContact O-N 2.76Å; L226-S228 VanDerWaalsContact C-N 3.29Å; L226-S228 PolarHBondContact O-N 3.35Å; S228-S231 WeakPolarHBondContact CA-OG 3.01Å; S228-S231 PolarHBondContact O-N 3.12Å; S228-S231 PolarHBondContact O-OG 3.04Å; S228-S232 PolarHBondContact O-N 3.43Å; S228-D233 PolarHBondContact O-N 3.35Å; S228-H236 PolarHBondContact OG-CD2 3.34Å
229	E	80.9	Confident	90.3	Very high	28 Å²	28	47 Å²	47	13%	0.131	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-44.9	172.4	-70	-168.3	156.6	0	0	112.5	A225 L226 S231 S232 W234 A237 W241 H320	A225-E229 PolarHBondContact O-N 3.42Å; L226-E229 PolarHBondContact O-N 2.98Å; E229-S231 PolarHBondContact O-N 3.27Å; E229-S232 PolarHBondContact O-N 2.82Å; E229-W234 HydrophobicContact CB-CZ3 4.25Å; E229-W234 HydrophobicContact CG-CZ3 4.18Å; E229-A237 HydrophobicContact CG-CB 3.9Å; E229-W241 PolarHBondContact OE1-NE1 3.38Å; E229-H320 IonicContact OE1-CG 3.25Å; E229-H320 IonicContact OE1-ND1 3.83Å; E229-H320 PolarHBondContact OE1-ND1 3Å; E229-H320 IonicContact OE2-CE1 2.74Å; E229-H320 PolarHBondContact OE2-CE1 2.64Å; E229-H320 IonicContact OE2-CG 3.98Å; E229-H320 IonicContact OE2-ND1 2.89Å; E229-H320 PolarHBondContact OE2-ND1 3.17Å
230	A	79.1	Confident	90.5	Very high	89 Å²	89	48.2 Å²	48.2	74%	0.736	29%	0.286	S	S	*	.	H	α-helix	trans	-62.1	-32.1	178.7	0	0	0	0	0	112.3	L226 S232	L226-A230 WeakPolarHBondContact O-CB 3.18Å; L226-A230 PolarHBondContact O-N 3.28Å; A230-S232 VanDerWaalsContact C-N 3.31Å
231	S	85.4	Confident	90.7	Very high	81 Å²	81	46.2 Å²	46.2	57%	0.566	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	0.3	174.3	54.7	0	0	0	0	114	T227 S228 E229 D233	T227-S231 PolarHBondContact O-N 3.39Å; T227-S231 VanDerWaalsContact O-N 3.1Å; T227-S231 PolarHBondContact O-OG 3.31Å; S228-S231 WeakPolarHBondContact CA-OG 3.01Å; S228-S231 PolarHBondContact O-N 3.12Å; S228-S231 PolarHBondContact O-OG 3.04Å; E229-S231 PolarHBondContact O-N 3.27Å; S231-D233 PolarHBondContact O-N 3.24Å
232	S	86.7	Confident	90.8	Very high	73 Å²	73	49.6 Å²	49.6	51%	0.51	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	23.1	-176.8	-57	0	0	0	0	114.6	S228 E229 A230 W234	S228-S232 PolarHBondContact O-N 3.43Å; E229-S232 PolarHBondContact O-N 2.82Å; A230-S232 VanDerWaalsContact C-N 3.31Å; S232-W234 VanDerWaalsContact C-N 3.3Å; S232-W234 VanDerWaalsContact O-CD1 3.29Å; S232-W234 PolarHBondContact O-N 3.37Å; S232-W234 VanDerWaalsContact O-N 3.11Å; S232-W234 PolarHBondContact O-NE1 3.29Å
233	D	92.4	Very high	90.9	Very high	69 Å²	69	53.5 Å²	53.5	37%	0.369	30%	0.304	S	S	.	.			trans	-82.8	78.5	169.1	-173	-15.1	0	0	0	109.3	S228 S231 T235 H236 A237	S228-D233 PolarHBondContact O-N 3.35Å; S231-D233 PolarHBondContact O-N 3.24Å; D233-T235 VanDerWaalsContact C-N 3.29Å; D233-T235 PolarHBondContact O-N 2.81Å; D233-T235 PolarHBondContact OD1-OG1 3.02Å; D233-H236 HydrophobicContact CB-CB 4.36Å; D233-H236 VanDerWaalsContact CG-CB 3.47Å; D233-H236 PolarHBondContact O-N 3.35Å; D233-H236 WeakPolarHBondContact OD1-CB 3.33Å; D233-H236 PolarHBondContact OD1-N 3.13Å; D233-H236 WeakPolarHBondContact OD2-CB 3.38Å; D233-A237 VanDerWaalsContact O-CB 3.29Å; D233-A237 WeakPolarHBondContact O-CB 3.16Å; D233-A237 PolarHBondContact O-N 3.23Å
234	W	90.5	Very high	91.2	Very high	57 Å²	57	51.2 Å²	51.2	22%	0.216	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-34.1	-174.3	-55.2	111.3	0	0	0	112.7	E229 S232 A237 V238 A324 K327 A328	E229-W234 HydrophobicContact CB-CZ3 4.25Å; E229-W234 HydrophobicContact CG-CZ3 4.18Å; S232-W234 VanDerWaalsContact C-N 3.3Å; S232-W234 VanDerWaalsContact O-CD1 3.29Å; S232-W234 PolarHBondContact O-N 3.37Å; S232-W234 VanDerWaalsContact O-N 3.11Å; S232-W234 PolarHBondContact O-NE1 3.29Å; W234-A237 PolarHBondContact O-N 2.8Å; W234-V238 VanDerWaalsContact O-CG2 3.25Å; W234-V238 WeakPolarHBondContact O-CG2 3.45Å; W234-V238 PolarHBondContact O-N 2.92Å; W234-A324 HydrophobicContact CE3-CB 4.47Å; W234-K327 HydrophobicContact CB-CB 4.25Å; W234-K327 HydrophobicContact CD2-CB 3.56Å; W234-K327 HydrophobicContact CD2-CD 3.69Å; W234-K327 HydrophobicContact CD2-CG 4.3Å; W234-K327 HydrophobicContact CE3-CB 3.95Å; W234-K327 HydrophobicContact CE3-CD 3.65Å; W234-K327 HydrophobicContact CE3-CG 4.45Å; W234-K327 HydrophobicContact CG-CB 3.66Å; W234-K327 HydrophobicContact CH2-CD 3.46Å; W234-K327 VanDerWaalsContact CH2-CD 3.46Å; W234-K327 HydrophobicContact CZ2-CD 3.45Å; W234-K327 VanDerWaalsContact CZ2-CD 3.45Å; W234-K327 HydrophobicContact CZ3-CD 3.53Å; W234-A328 HydrophobicContact CB-CB 3.9Å
235	T	95.1	Very high	91.4	Very high	95 Å²	95	49.7 Å²	49.7	58%	0.583	28%	0.281	S	S	*	.	H	α-helix	trans	-63	-47.8	177.2	35.8	0	0	0	0	111.8	D233 V238 E239	D233-T235 VanDerWaalsContact C-N 3.29Å; D233-T235 PolarHBondContact O-N 2.81Å; D233-T235 PolarHBondContact OD1-OG1 3.02Å; T235-V238 PolarHBondContact O-N 3.22Å; T235-E239 PolarHBondContact O-N 2.78Å
236	H	94.8	Very high	91.7	Very high	64 Å²	64	53.7 Å²	53.7	30%	0.296	30%	0.303	S	S	.	.	H	α-helix	trans	-72.6	-35.1	178.2	-160.7	56.8	0	0	0	112	S228 D233 V238 E239 K240	S228-H236 PolarHBondContact OG-CD2 3.34Å; D233-H236 HydrophobicContact CB-CB 4.36Å; D233-H236 VanDerWaalsContact CG-CB 3.47Å; D233-H236 PolarHBondContact O-N 3.35Å; D233-H236 WeakPolarHBondContact OD1-CB 3.33Å; D233-H236 PolarHBondContact OD1-N 3.13Å; D233-H236 WeakPolarHBondContact OD2-CB 3.38Å; H236-V238 VanDerWaalsContact C-N 3.31Å; H236-V238 PolarHBondContact O-N 3.18Å; H236-E239 IonicContact CE1-OE2 3.92Å; H236-E239 IonicContact ND1-OE2 3.25Å; H236-E239 PolarHBondContact ND1-OE2 3.31Å; H236-E239 VanDerWaalsContact ND1-OE2 3.12Å; H236-E239 PolarHBondContact O-N 2.94Å; H236-K240 VanDerWaalsContact CE1-CE 3.47Å; H236-K240 WeakPolarHBondContact CE1-CE 3.36Å; H236-K240 WeakPolarHBondContact NE2-CE 3.41Å; H236-K240 WeakPolarHBondContact O-CG 3.11Å; H236-K240 PolarHBondContact O-N 2.65Å
237	A	90.5	Very high	92.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.4	-42.3	174.4	0	0	0	0	0	111.9	E229 D233 W234 K240 W241 A324	E229-A237 HydrophobicContact CG-CB 3.9Å; D233-A237 VanDerWaalsContact O-CB 3.29Å; D233-A237 WeakPolarHBondContact O-CB 3.16Å; D233-A237 PolarHBondContact O-N 3.23Å; W234-A237 PolarHBondContact O-N 2.8Å; A237-K240 PolarHBondContact O-N 2.84Å; A237-W241 WeakPolarHBondContact O-CB 3.31Å; A237-W241 PolarHBondContact O-N 3.01Å; A237-A324 HydrophobicContact CB-CB 4.24Å
238	V	96.8	Very high	92.8	Very high	17 Å²	17	48.8 Å²	48.8	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-47.7	175.2	170.8	0	0	0	0	111.3	W234 T235 H236 K240 W241 M242 L321 A324 Q325 A328	W234-V238 VanDerWaalsContact O-CG2 3.25Å; W234-V238 WeakPolarHBondContact O-CG2 3.45Å; W234-V238 PolarHBondContact O-N 2.92Å; T235-V238 PolarHBondContact O-N 3.22Å; H236-V238 VanDerWaalsContact C-N 3.31Å; H236-V238 PolarHBondContact O-N 3.18Å; V238-K240 VanDerWaalsContact C-N 3.34Å; V238-K240 PolarHBondContact O-N 2.87Å; V238-W241 PolarHBondContact O-N 3.15Å; V238-M242 HydrophobicContact CG1-CG 4.4Å; V238-M242 HydrophobicContact CG1-SD 3.93Å; V238-M242 WeakPolarHBondContact O-CB 3.47Å; V238-M242 VanDerWaalsContact O-CG 3.29Å; V238-M242 WeakPolarHBondContact O-CG 3.28Å; V238-M242 PolarHBondContact O-N 2.76Å; V238-L321 HydrophobicContact CG1-CD1 4.4Å; V238-A324 HydrophobicContact CG2-CB 3.77Å; V238-Q325 HydrophobicContact CB-CG 4.47Å; V238-Q325 HydrophobicContact CG1-CG 3.8Å; V238-Q325 HydrophobicContact CG2-CB 4.32Å; V238-Q325 HydrophobicContact CG2-CG 3.79Å; V238-A328 HydrophobicContact CG2-CB 4.02Å
239	E	96.8	Very high	93.3	Very high	110 Å²	110	49.4 Å²	49.4	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-57.8	-47.9	178	-66.9	176	162.7	0	0	111.1	T235 H236 M242 E243	T235-E239 PolarHBondContact O-N 2.78Å; H236-E239 IonicContact CE1-OE2 3.92Å; H236-E239 IonicContact ND1-OE2 3.25Å; H236-E239 PolarHBondContact ND1-OE2 3.31Å; H236-E239 VanDerWaalsContact ND1-OE2 3.12Å; H236-E239 PolarHBondContact O-N 2.94Å; E239-M242 PolarHBondContact O-N 3.19Å; E239-E243 WeakPolarHBondContact O-CG 3.4Å; E239-E243 PolarHBondContact O-N 3.2Å
240	K	97.3	Very high	94	Very high	41 Å²	41	52 Å²	52	18%	0.178	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-41.2	-178.6	-65.6	-61.6	176.8	-168.1	0	113.3	L221 A225 H236 A237 V238 E243 C244	L221-K240 HydrophobicContact CD2-CD 4.39Å; A225-K240 HydrophobicContact CB-CB 3.68Å; H236-K240 VanDerWaalsContact CE1-CE 3.47Å; H236-K240 WeakPolarHBondContact CE1-CE 3.36Å; H236-K240 WeakPolarHBondContact NE2-CE 3.41Å; H236-K240 WeakPolarHBondContact O-CG 3.11Å; H236-K240 PolarHBondContact O-N 2.65Å; A237-K240 PolarHBondContact O-N 2.84Å; V238-K240 VanDerWaalsContact C-N 3.34Å; V238-K240 PolarHBondContact O-N 2.87Å; K240-E243 IonicContact NZ-OE2 3.12Å; K240-E243 PolarHBondContact O-N 3.03Å; K240-C244 VanDerWaalsContact O-CB 3.27Å; K240-C244 WeakPolarHBondContact O-CB 3.31Å; K240-C244 PolarHBondContact O-N 3.29Å
241	W	96.6	Very high	94.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.1	-40.3	175.6	-78.9	125.8	0	0	0	112.7	Y222 A225 L226 E229 A237 V238 C244 V245 Q317 H320 L321	Y222-W241 AromaticContact CD2-CH2 3.83Å; Y222-W241 HydrophobicContact CD2-CH2 3.83Å; Y222-W241 AromaticContact CD2-CZ3 3.51Å; Y222-W241 HydrophobicContact CD2-CZ3 3.51Å; Y222-W241 AromaticContact CE2-CH2 3.65Å; Y222-W241 HydrophobicContact CE2-CH2 3.65Å; Y222-W241 AromaticContact CE2-CZ3 3.63Å; Y222-W241 HydrophobicContact CE2-CZ3 3.63Å; Y222-W241 HydrophobicContact CG-CH2 4.29Å; Y222-W241 HydrophobicContact CG-CZ3 4.22Å; A225-W241 HydrophobicContact CB-CD2 3.45Å; A225-W241 VanDerWaalsContact CB-CD2 3.45Å; A225-W241 VanDerWaalsContact CB-CE2 3.41Å; A225-W241 HydrophobicContact CB-CE3 3.87Å; A225-W241 HydrophobicContact CB-CG 3.85Å; A225-W241 HydrophobicContact CB-CH2 4.2Å; A225-W241 HydrophobicContact CB-CZ2 3.83Å; A225-W241 HydrophobicContact CB-CZ3 4.2Å; L226-W241 HydrophobicContact CD2-CH2 4.15Å; L226-W241 HydrophobicContact CD2-CZ2 3.83Å; L226-W241 HydrophobicContact CG-CH2 4.19Å; L226-W241 HydrophobicContact CG-CZ2 4.11Å; E229-W241 PolarHBondContact OE1-NE1 3.38Å; A237-W241 WeakPolarHBondContact O-CB 3.31Å; A237-W241 PolarHBondContact O-N 3.01Å; V238-W241 PolarHBondContact O-N 3.15Å; W241-C244 HydrophobicContact CE3-CB 4.17Å; W241-C244 WeakPolarHBondContact O-CB 3.35Å; W241-C244 PolarHBondContact O-N 2.9Å; W241-V245 WeakPolarHBondContact O-CG2 3.14Å; W241-V245 PolarHBondContact O-N 2.93Å; W241-Q317 HydrophobicContact CE3-CB 4.37Å; W241-Q317 HydrophobicContact CE3-CG 4.37Å; W241-Q317 HydrophobicContact CZ3-CB 4.35Å; W241-Q317 HydrophobicContact CZ3-CG 3.96Å; W241-H320 HydrophobicContact CD2-CB 3.85Å; W241-H320 AromaticContact CE2-CG 3.87Å; W241-H320 HydrophobicContact CE3-CB 4.37Å; W241-H320 HydrophobicContact CG-CB 4.36Å; W241-H320 HydrophobicContact CH2-CB 4.05Å; W241-H320 AromaticContact CH2-CD2 3.98Å; W241-H320 AromaticContact CH2-CG 3.94Å; W241-H320 HydrophobicContact CZ2-CB 3.46Å; W241-H320 VanDerWaalsContact CZ2-CB 3.46Å; W241-H320 AromaticContact CZ2-CD2 3.91Å; W241-H320 AromaticContact CZ2-CG 3.42Å; W241-H320 VanDerWaalsContact CZ2-CG 3.42Å; W241-H320 AromaticContact CZ2-ND1 3.66Å; W241-H320 HydrophobicContact CZ3-CB 4.47Å; W241-L321 HydrophobicContact CB-CB 4.01Å; W241-L321 HydrophobicContact CB-CD1 3.77Å; W241-L321 HydrophobicContact CB-CG 4.42Å
242	M	96.6	Very high	95.2	Very high	83 Å²	83	45.4 Å²	45.4	41%	0.409	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-44.4	174.4	-74.4	-177.5	57.7	0	0	111.6	V238 E239 C244 N246 L321	V238-M242 HydrophobicContact CG1-CG 4.4Å; V238-M242 HydrophobicContact CG1-SD 3.93Å; V238-M242 WeakPolarHBondContact O-CB 3.47Å; V238-M242 VanDerWaalsContact O-CG 3.29Å; V238-M242 WeakPolarHBondContact O-CG 3.28Å; V238-M242 PolarHBondContact O-N 2.76Å; E239-M242 PolarHBondContact O-N 3.19Å; M242-C244 VanDerWaalsContact C-N 3.34Å; M242-N246 WeakPolarHBondContact O-CB 3.33Å; M242-N246 VanDerWaalsContact O-CG 3.24Å; M242-N246 PolarHBondContact O-N 3.24Å; M242-N246 VanDerWaalsContact O-N 3.16Å; M242-N246 PolarHBondContact O-ND2 3.43Å; M242-L321 HydrophobicContact CG-CD1 3.54Å; M242-L321 HydrophobicContact CG-CD2 4.07Å; M242-L321 HydrophobicContact CG-CG 4.47Å
243	E	97	Very high	95.6	Very high	90 Å²	90	45.6 Å²	45.6	42%	0.421	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-42.8	173.6	-74.7	-179.3	-168.5	0	0	111.5	L221 E239 K240 N246 E247	L221-E243 HydrophobicContact CD1-CB 4.05Å; L221-E243 HydrophobicContact CD2-CB 4.02Å; L221-E243 WeakPolarHBondContact CD2-OE2 3.38Å; E239-E243 WeakPolarHBondContact O-CG 3.4Å; E239-E243 PolarHBondContact O-N 3.2Å; K240-E243 IonicContact NZ-OE2 3.12Å; K240-E243 PolarHBondContact O-N 3.03Å; E243-N246 PolarHBondContact O-N 3.03Å; E243-E247 VanDerWaalsContact O-CB 3.25Å; E243-E247 WeakPolarHBondContact O-CB 3.41Å; E243-E247 PolarHBondContact O-N 2.97Å
244	C	97.1	Very high	95.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-47.2	179	-174.5	0	0	0	0	112.4	L221 K240 W241 M242 N246 E247 T248 Q317	L221-C244 HydrophobicContact CB-CB 3.94Å; K240-C244 VanDerWaalsContact O-CB 3.27Å; K240-C244 WeakPolarHBondContact O-CB 3.31Å; K240-C244 PolarHBondContact O-N 3.29Å; W241-C244 HydrophobicContact CE3-CB 4.17Å; W241-C244 WeakPolarHBondContact O-CB 3.35Å; W241-C244 PolarHBondContact O-N 2.9Å; M242-C244 VanDerWaalsContact C-N 3.34Å; C244-N246 PolarHBondContact O-N 3.37Å; C244-E247 PolarHBondContact O-N 3.48Å; C244-T248 WeakPolarHBondContact O-CB 3.24Å; C244-T248 PolarHBondContact O-N 2.86Å; C244-T248 PolarHBondContact O-OG1 2.98Å; C244-Q317 PolarHBondContact O-OE1 2.59Å; C244-Q317 PolarHBondContact SG-OE1 3.34Å; C244-Q317 VanDerWaalsContact SG-OE1 3.36Å
245	V	97.4	Very high	95.8	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.055	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-46.9	178.1	170	0	0	0	0	110.8	W241 E247 T248 L249 L314 Q317 L318 L321	W241-V245 WeakPolarHBondContact O-CG2 3.14Å; W241-V245 PolarHBondContact O-N 2.93Å; V245-E247 PolarHBondContact O-N 2.94Å; V245-T248 PolarHBondContact O-N 3.44Å; V245-L249 HydrophobicContact CG1-CD1 4.24Å; V245-L249 WeakPolarHBondContact O-CG 3.39Å; V245-L249 PolarHBondContact O-N 3.39Å; V245-L314 HydrophobicContact CG1-CD1 4.15Å; V245-Q317 HydrophobicContact CG2-CB 3.76Å; V245-L318 HydrophobicContact CG1-CD2 4.25Å; V245-L318 HydrophobicContact CG2-CD2 4.29Å; V245-L321 HydrophobicContact CG2-CD2 4.36Å
246	N	96.8	Very high	95.8	Very high	84 Å²	84	39.1 Å²	39.1	45%	0.449	19%	0.189	S	C	.	.	H	α-helix	trans	-63.6	-43.2	179.6	-70.6	-21.6	0	0	0	111.6	M242 E243 C244 R250	M242-N246 WeakPolarHBondContact O-CB 3.33Å; M242-N246 VanDerWaalsContact O-CG 3.24Å; M242-N246 PolarHBondContact O-N 3.24Å; M242-N246 VanDerWaalsContact O-N 3.16Å; M242-N246 PolarHBondContact O-ND2 3.43Å; E243-N246 PolarHBondContact O-N 3.03Å; C244-N246 PolarHBondContact O-N 3.37Å; N246-R250 VanDerWaalsContact O-CB 3.28Å; N246-R250 WeakPolarHBondContact O-CB 3.49Å; N246-R250 PolarHBondContact O-N 3.25Å
247	E	97.2	Very high	95.7	Very high	23 Å²	23	36.1 Å²	36.1	11%	0.107	18%	0.176	C	C	.	.	H	α-helix	trans	-68	-39.3	178.7	-172.8	58.1	-157.6	0	0	111.5	K217 H218 L221 E243 C244 V245 R250 Q251	K217-E247 HydrophobicContact CB-CG 4.2Å; K217-E247 HydrophobicContact CG-CG 4.38Å; H218-E247 HydrophobicContact CB-CB 4.28Å; H218-E247 HydrophobicContact CB-CG 3.94Å; L221-E247 HydrophobicContact CD1-CB 3.77Å; L221-E247 HydrophobicContact CD1-CG 4.05Å; E243-E247 VanDerWaalsContact O-CB 3.25Å; E243-E247 WeakPolarHBondContact O-CB 3.41Å; E243-E247 PolarHBondContact O-N 2.97Å; C244-E247 PolarHBondContact O-N 3.48Å; V245-E247 PolarHBondContact O-N 2.94Å; E247-R250 WeakPolarHBondContact O-CB 3.38Å; E247-R250 PolarHBondContact O-N 3.17Å; E247-R250 IonicContact OE1-CZ 3.54Å; E247-R250 IonicContact OE1-NE 3.28Å; E247-R250 PolarHBondContact OE1-NE 3.06Å; E247-R250 IonicContact OE1-NH2 2.67Å; E247-R250 PolarHBondContact OE1-NH2 3.16Å; E247-R250 WeakPolarHBondContact OE2-CD 3.38Å; E247-R250 IonicContact OE2-CZ 2.73Å; E247-R250 IonicContact OE2-NE 3.78Å; E247-R250 PolarHBondContact OE2-NE 2.87Å; E247-R250 IonicContact OE2-NH2 3.57Å; E247-Q251 HydrophobicContact CG-CG 4.41Å; E247-Q251 WeakPolarHBondContact O-CB 3.47Å; E247-Q251 WeakPolarHBondContact O-CG 3.42Å; E247-Q251 PolarHBondContact O-N 3.3Å; E247-Q251 PolarHBondContact OE1-NE2 2.82Å; E247-Q251 VanDerWaalsContact OE1-NE2 3.15Å
248	T	97	Very high	95.9	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-51.2	174.3	-62.2	0	0	0	0	110.8	C244 V245 R250 Q251 T252 V300 F313 Q317	C244-T248 WeakPolarHBondContact O-CB 3.24Å; C244-T248 PolarHBondContact O-N 2.86Å; C244-T248 PolarHBondContact O-OG1 2.98Å; V245-T248 PolarHBondContact O-N 3.44Å; T248-R250 VanDerWaalsContact C-N 3.3Å; T248-R250 PolarHBondContact O-N 3.01Å; T248-Q251 PolarHBondContact O-N 3.16Å; T248-T252 PolarHBondContact O-N 3.44Å; T248-T252 PolarHBondContact O-OG1 3.11Å; T248-V300 HydrophobicContact CG2-CG1 4.03Å; T248-F313 HydrophobicContact CG2-CD1 3.98Å; T248-F313 HydrophobicContact CG2-CE1 3.82Å; T248-Q317 PolarHBondContact OG1-NE2 3.2Å; T248-Q317 PolarHBondContact OG1-OE1 3.31Å; T248-Q317 VanDerWaalsContact OG1-OE1 3.09Å
249	L	96.8	Very high	95.7	Very high	21 Å²	21	37 Å²	37	11%	0.11	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-41.8	176.6	-70.5	171.5	0	0	0	111.9	V245 T252 D253 L314 I377 Y380	V245-L249 HydrophobicContact CG1-CD1 4.24Å; V245-L249 WeakPolarHBondContact O-CG 3.39Å; V245-L249 PolarHBondContact O-N 3.39Å; L249-T252 PolarHBondContact O-N 2.99Å; L249-D253 PolarHBondContact O-N 3.25Å; L249-L314 HydrophobicContact CD2-CD1 4.44Å; L249-L314 HydrophobicContact CD2-CD2 3.83Å; L249-I377 HydrophobicContact CD1-CD1 3.96Å; L249-I377 HydrophobicContact CD2-CD1 4.4Å; L249-Y380 HydrophobicContact CD2-CD2 3.95Å; L249-Y380 HydrophobicContact CD2-CG 4.33Å
250	R	95.4	Very high	95.3	Very high	81 Å²	81	34.8 Å²	34.8	31%	0.306	17%	0.169	S	C	.	.	H	α-helix	trans	-61.6	-44.2	178	-167.6	-165.2	76.1	69.5	0.6	111.6	N246 E247 T248 D253 E254	N246-R250 VanDerWaalsContact O-CB 3.28Å; N246-R250 WeakPolarHBondContact O-CB 3.49Å; N246-R250 PolarHBondContact O-N 3.25Å; E247-R250 WeakPolarHBondContact O-CB 3.38Å; E247-R250 PolarHBondContact O-N 3.17Å; E247-R250 IonicContact OE1-CZ 3.54Å; E247-R250 IonicContact OE1-NE 3.28Å; E247-R250 PolarHBondContact OE1-NE 3.06Å; E247-R250 IonicContact OE1-NH2 2.67Å; E247-R250 PolarHBondContact OE1-NH2 3.16Å; E247-R250 WeakPolarHBondContact OE2-CD 3.38Å; E247-R250 IonicContact OE2-CZ 2.73Å; E247-R250 IonicContact OE2-NE 3.78Å; E247-R250 PolarHBondContact OE2-NE 2.87Å; E247-R250 IonicContact OE2-NH2 3.57Å; T248-R250 VanDerWaalsContact C-N 3.3Å; T248-R250 PolarHBondContact O-N 3.01Å; R250-D253 PolarHBondContact O-N 3.11Å; R250-E254 IonicContact CZ-OE1 2.74Å; R250-E254 IonicContact CZ-OE2 3.5Å; R250-E254 IonicContact NH1-OE1 2.81Å; R250-E254 PolarHBondContact NH1-OE1 3.45Å; R250-E254 IonicContact NH1-OE2 3.63Å; R250-E254 PolarHBondContact NH1-OE2 2.96Å; R250-E254 IonicContact NH2-OE2 2.7Å; R250-E254 PolarHBondContact NH2-OE2 3.09Å; R250-E254 WeakPolarHBondContact O-CG 3.19Å; R250-E254 PolarHBondContact O-N 2.77Å
251	Q	94.7	Very high	95	Very high	24 Å²	24	33.1 Å²	33.1	11%	0.112	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-39.9	178.2	-71.2	-75.8	2	0	0	111.5	T215 E247 T248 D253 E254 C255 V300	T215-Q251 PolarHBondContact O-NE2 3.44Å; E247-Q251 HydrophobicContact CG-CG 4.41Å; E247-Q251 WeakPolarHBondContact O-CB 3.47Å; E247-Q251 WeakPolarHBondContact O-CG 3.42Å; E247-Q251 PolarHBondContact O-N 3.3Å; E247-Q251 PolarHBondContact OE1-NE2 2.82Å; E247-Q251 VanDerWaalsContact OE1-NE2 3.15Å; T248-Q251 PolarHBondContact O-N 3.16Å; Q251-D253 PolarHBondContact O-N 3.26Å; Q251-E254 WeakPolarHBondContact O-CB 3.21Å; Q251-E254 PolarHBondContact O-N 3.07Å; Q251-E254 PolarHBondContact OE1-OE2 3.04Å; Q251-C255 PolarHBondContact O-N 3.09Å; Q251-V300 HydrophobicContact CB-CG1 4.26Å; Q251-V300 HydrophobicContact CB-CG2 4.22Å
252	T	95.7	Very high	94.5	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.049	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-46.4	172.7	-54.5	0	0	0	0	111.3	T248 L249 E254 C255 R256 C296 Y380	T248-T252 PolarHBondContact O-N 3.44Å; T248-T252 PolarHBondContact O-OG1 3.11Å; L249-T252 PolarHBondContact O-N 2.99Å; T252-E254 VanDerWaalsContact C-N 3.31Å; T252-E254 PolarHBondContact O-N 2.02Å; T252-C255 PolarHBondContact O-N 3.27Å; T252-R256 WeakPolarHBondContact O-CG 3.47Å; T252-R256 PolarHBondContact O-N 2.88Å; T252-C296 HydrophobicContact CG2-CB 4.37Å; T252-Y380 HydrophobicContact CG2-CE2 4.38Å
253	D	94.3	Very high	93.6	Very high	78 Å²	78	32.9 Å²	32.9	42%	0.417	17%	0.17	S	C	.	.	H	α-helix	trans	-67.3	-30.7	176.7	-78.4	-17.5	0	0	0	112.3	L249 R250 Q251 R256 A257 R383	L249-D253 PolarHBondContact O-N 3.25Å; R250-D253 PolarHBondContact O-N 3.11Å; Q251-D253 PolarHBondContact O-N 3.26Å; D253-R256 PolarHBondContact O-N 3.3Å; D253-A257 PolarHBondContact O-N 3Å; D253-R383 IonicContact OD1-CZ 3.93Å; D253-R383 IonicContact OD1-NH1 3.74Å; D253-R383 PolarHBondContact OD1-NH1 2.67Å; D253-R383 VanDerWaalsContact OD1-NH1 3.16Å; D253-R383 IonicContact OD1-NH2 2.81Å; D253-R383 PolarHBondContact OD1-NH2 3.29Å
254	E	93.4	Very high	92.4	Very high	38 Å²	38	32 Å²	32	18%	0.178	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-43.8	172	-79.8	-167.3	149.6	0	0	112.9	R87 R250 Q251 T252 A257 Q258	R87-E254 WeakPolarHBondContact CD-OE1 2.83Å; R87-E254 IonicContact CZ-OE1 2.95Å; R87-E254 IonicContact NE-OE1 3.44Å; R87-E254 PolarHBondContact NE-OE1 3.02Å; R87-E254 IonicContact NH1-OE1 3.16Å; R87-E254 PolarHBondContact NH1-OE1 3.48Å; R87-E254 IonicContact NH2-OE1 2.79Å; R87-E254 PolarHBondContact NH2-OE1 3.28Å; R250-E254 IonicContact CZ-OE1 2.74Å; R250-E254 IonicContact CZ-OE2 3.5Å; R250-E254 IonicContact NH1-OE1 2.81Å; R250-E254 PolarHBondContact NH1-OE1 3.45Å; R250-E254 IonicContact NH1-OE2 3.63Å; R250-E254 PolarHBondContact NH1-OE2 2.96Å; R250-E254 IonicContact NH2-OE2 2.7Å; R250-E254 PolarHBondContact NH2-OE2 3.09Å; R250-E254 WeakPolarHBondContact O-CG 3.19Å; R250-E254 PolarHBondContact O-N 2.77Å; Q251-E254 WeakPolarHBondContact O-CB 3.21Å; Q251-E254 PolarHBondContact O-N 3.07Å; Q251-E254 PolarHBondContact OE1-OE2 3.04Å; T252-E254 VanDerWaalsContact C-N 3.31Å; T252-E254 PolarHBondContact O-N 2.02Å; E254-A257 PolarHBondContact O-N 3.37Å; E254-Q258 PolarHBondContact O-N 2.83Å
255	C	94.4	Very high	91	Very high	23 Å²	23	40.2 Å²	40.2	16%	0.155	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-46.5	172.9	173.7	0	0	0	0	110.8	Q251 T252 A257 Q258 C259 C296	Q251-C255 PolarHBondContact O-N 3.09Å; T252-C255 PolarHBondContact O-N 3.27Å; C255-A257 VanDerWaalsContact C-N 3.28Å; C255-A257 PolarHBondContact O-N 3.39Å; C255-Q258 WeakPolarHBondContact O-CA 3.29Å; C255-Q258 VanDerWaalsContact O-CB 3.29Å; C255-Q258 WeakPolarHBondContact O-CB 3.39Å; C255-Q258 PolarHBondContact O-N 2.8Å; C255-C259 PolarHBondContact O-N 3.02Å; C255-C296 HydrophobicContact CB-CB 3.66Å; C255-C296 WeakPolarHBondContact CB-SG 3.33Å; C255-C296 WeakPolarHBondContact SG-CA 3.37Å; C255-C296 WeakPolarHBondContact SG-CB 3.38Å; C255-C296 CovalentContact SG-SG 2.04Å; C255-C296 PolarHBondContact SG-SG 3.11Å
256	R	94.6	Very high	89.4	Confident	23 Å²	23	46 Å²	46	9%	0.087	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-35.8	179.4	-69.8	171.3	62.8	91.2	10.7	112.7	T252 D253 Q258 C259 E260 Q293 C296 E387	T252-R256 WeakPolarHBondContact O-CG 3.47Å; T252-R256 PolarHBondContact O-N 2.88Å; D253-R256 PolarHBondContact O-N 3.3Å; R256-Q258 VanDerWaalsContact C-N 3.25Å; R256-Q258 PolarHBondContact O-N 3.06Å; R256-C259 WeakPolarHBondContact O-CB 3.3Å; R256-C259 PolarHBondContact O-N 2.79Å; R256-E260 PolarHBondContact O-N 2.66Å; R256-Q293 HydrophobicContact CB-CG 4.35Å; R256-Q293 HydrophobicContact CG-CB 4.26Å; R256-Q293 HydrophobicContact CG-CG 4.29Å; R256-C296 HydrophobicContact CG-CB 4.13Å; R256-C296 PolarHBondContact N-SG 3.41Å; R256-C296 VanDerWaalsContact N-SG 3.4Å; R256-E387 IonicContact CZ-OE1 3.24Å; R256-E387 IonicContact CZ-OE2 3.25Å; R256-E387 IonicContact NH1-OE1 3.62Å; R256-E387 PolarHBondContact NH1-OE1 3.21Å; R256-E387 IonicContact NH1-OE2 2.92Å; R256-E387 PolarHBondContact NH1-OE2 3.07Å; R256-E387 IonicContact NH2-OE1 3.84Å; R256-E387 PolarHBondContact NH2-OE1 3.27Å; R256-E387 IonicContact NH2-OE2 3.97Å
257	A	94.3	Very high	87.7	Confident	2 Å²	2	44.4 Å²	44.4	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-31.9	173.7	0	0	0	0	0	112.4	H90 D253 E254 C255 V261	H90-A257 HydrophobicContact CB-CB 3.98Å; D253-A257 PolarHBondContact O-N 3Å; E254-A257 PolarHBondContact O-N 3.37Å; C255-A257 VanDerWaalsContact C-N 3.28Å; C255-A257 PolarHBondContact O-N 3.39Å; A257-V261 WeakPolarHBondContact O-CG2 3.35Å; A257-V261 PolarHBondContact O-N 3.07Å
258	Q	93.4	Very high	85.9	Confident	30 Å²	30	52 Å²	52	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-41	173.2	-55.9	-55.1	-42.9	0	0	111.3	F83 E254 C255 R256 E260 V261 A262	F83-Q258 PolarHBondContact O-NE2 3.41Å; E254-Q258 PolarHBondContact O-N 2.83Å; C255-Q258 WeakPolarHBondContact O-CA 3.29Å; C255-Q258 VanDerWaalsContact O-CB 3.29Å; C255-Q258 WeakPolarHBondContact O-CB 3.39Å; C255-Q258 PolarHBondContact O-N 2.8Å; R256-Q258 VanDerWaalsContact C-N 3.25Å; R256-Q258 PolarHBondContact O-N 3.06Å; Q258-E260 PolarHBondContact O-N 2.78Å; Q258-V261 PolarHBondContact O-N 2.84Å; Q258-A262 WeakPolarHBondContact O-CB 3.32Å; Q258-A262 PolarHBondContact O-N 3.31Å
259	C	92.3	Very high	84	Confident	6 Å²	6	56 Å²	56	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-57	-36.7	178.5	-66.9	0	0	0	0	113.2	C255 R256 Q264 L289 C292 Q293	C255-C259 PolarHBondContact O-N 3.02Å; R256-C259 WeakPolarHBondContact O-CB 3.3Å; R256-C259 PolarHBondContact O-N 2.79Å; C259-Q264 PolarHBondContact O-NE2 3.36Å; C259-L289 HydrophobicContact CB-CD1 4.03Å; C259-L289 WeakPolarHBondContact O-CD1 3.22Å; C259-C292 VanDerWaalsContact CA-SG 3.59Å; C259-C292 HydrophobicContact CB-CB 3.76Å; C259-C292 WeakPolarHBondContact CB-SG 3.48Å; C259-C292 WeakPolarHBondContact SG-CB 3.17Å; C259-C292 PolarHBondContact SG-O 2.89Å; C259-C292 VanDerWaalsContact SG-O 3.35Å; C259-C292 CovalentContact SG-SG 2.05Å; C259-C292 PolarHBondContact SG-SG 3.45Å; C259-Q293 HydrophobicContact CB-CG 3.96Å
260	E	89.9	Confident	82	Confident	62 Å²	62	60.5 Å²	60.5	29%	0.29	29%	0.294	S	S	.	.	H	α-helix	trans	-79.9	-31.1	-179	-67.6	-175.8	-165.6	0	0	114.3	H90 R123 R256 Q258 L289 Q293	H90-E260 IonicContact CE1-OE1 2.65Å; H90-E260 PolarHBondContact CE1-OE1 2.89Å; H90-E260 IonicContact CE1-OE2 3.9Å; H90-E260 PolarHBondContact CE1-OE2 3.45Å; H90-E260 IonicContact ND1-OE2 3.23Å; H90-E260 PolarHBondContact ND1-OE2 3Å; R123-E260 IonicContact CZ-OE2 3.18Å; R123-E260 IonicContact NE-OE2 2.82Å; R123-E260 IonicContact NH2-OE1 2.71Å; R123-E260 PolarHBondContact NH2-OE1 2.86Å; R123-E260 IonicContact NH2-OE2 2.75Å; R123-E260 PolarHBondContact NH2-OE2 2.94Å; R256-E260 PolarHBondContact O-N 2.66Å; Q258-E260 PolarHBondContact O-N 2.78Å; E260-L289 HydrophobicContact CG-CD1 3.99Å; E260-Q293 PolarHBondContact OE1-NE2 2.83Å
261	V	90.4	Very high	79.8	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-105.8	-27.3	-169.2	-178.9	0	0	0	0	112.4	R86 H90 V127 L131 A257 Q258	R86-V261 HydrophobicContact CB-CB 4.16Å; R86-V261 HydrophobicContact CB-CG1 3.77Å; R86-V261 HydrophobicContact CG-CB 4.44Å; R86-V261 HydrophobicContact CG-CG1 3.79Å; H90-V261 HydrophobicContact CB-CG2 3.72Å; V127-V261 HydrophobicContact CG1-CG1 3.91Å; V127-V261 HydrophobicContact CG1-CG2 4.42Å; L131-V261 HydrophobicContact CD1-CG1 3.77Å; L131-V261 HydrophobicContact CD2-CG1 3.98Å; L131-V261 HydrophobicContact CG-CG1 4.13Å; A257-V261 WeakPolarHBondContact O-CG2 3.35Å; A257-V261 PolarHBondContact O-N 3.07Å; Q258-V261 PolarHBondContact O-N 2.84Å
262	A	85.4	Confident	77.8	Confident	25 Å²	25	67.4 Å²	67.4	21%	0.207	34%	0.341	C	S	.	.	S	Bend	trans	-64.4	139.4	174.9	0	0	0	0	0	110.2	Q258 Q264	Q258-A262 WeakPolarHBondContact O-CB 3.32Å; Q258-A262 PolarHBondContact O-N 3.31Å; A262-Q264 PolarHBondContact O-N 3.34Å
263	S	78.8	Confident	75.7	Confident	52 Å²	52	74.3 Å²	74.3	36%	0.364	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-68.1	126.4	170.2	-69.9	0	0	0	0	108.8	Q140 P142	Q140-S263 WeakPolarHBondContact O-CB 3.36Å; Q140-S263 PolarHBondContact O-OG 3.17Å; P142-S263 WeakPolarHBondContact CB-O 3.1Å
264	Q	71.9	Confident	73.8	Confident	72 Å²	72	72.3 Å²	72.3	34%	0.336	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-102.1	148.9	175	-60.7	-173	4.6	0	0	109.6	C259 A262 S288	C259-Q264 PolarHBondContact O-NE2 3.36Å; A262-Q264 PolarHBondContact O-N 3.34Å; Q264-S288 PolarHBondContact OE1-OG 3.15Å
265	R	66.8	Low	72.1	Confident	173 Å²	173	78.9 Å²	78.9	65%	0.653	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-68.4	133.2	165.1	-68.8	-176.5	-174.7	169.4	3.3	107.6	P142	P142-R265 HydrophobicContact CB-CG 4.18Å; P142-R265 HydrophobicContact CG-CG 3.93Å
266	L	64.8	Low	71	Confident	130 Å²	130	80.1 Å²	80.1	68%	0.681	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-59.4	137.4	170.6	-65	174.4	0	0	0	107.9	E268 L285	L266-E268 PolarHBondContact O-N 3.05Å; L266-L285 HydrophobicContact CD2-CD1 4.16Å; L266-L285 HydrophobicContact CD2-CD2 3.58Å; L266-L285 HydrophobicContact CD2-CG 4.44Å
267	P	61.4	Low	70.4	Confident	51 Å²	51	80.5 Å²	80.5	33%	0.331	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-50.1	130.7	174.2	-24.6	32.2	0	0	0	109.9	N269 A284	P267-N269 PolarHBondContact O-N 3.42Å; P267-A284 HydrophobicContact CG-CB 4.41Å
268	E	58.8	Low	70	Confident	181 Å²	181	86.3 Å²	86.3	85%	0.846	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-60	138.4	173.4	-70.4	-177.9	168	0	0	108.8	L266 R270	L266-E268 PolarHBondContact O-N 3.05Å; E268-R270 PolarHBondContact O-N 3.04Å; E268-R270 VanDerWaalsContact O-N 3.16Å
269	N	55.8	Low	69.7	Low	90 Å²	90	93.6 Å²	93.6	48%	0.481	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-48.4	124	-177.6	-76.2	-21.2	0	0	0	109.6	P267 G271	P267-N269 PolarHBondContact O-N 3.42Å; N269-G271 PolarHBondContact O-N 3.32Å
270	R	55.3	Low	69.4	Low	115 Å²	115	98.4 Å²	98.4	43%	0.434	51%	0.513	S	S	.	.	S	Bend	trans	-77.4	32.2	-171.4	-69.8	-177.8	171.4	-176	-5.7	113.8	E268 L398 N399	E268-R270 PolarHBondContact O-N 3.04Å; E268-R270 VanDerWaalsContact O-N 3.16Å; R270-L398 PolarHBondContact NH1-O 2.94Å; R270-N399 PolarHBondContact NH1-O 2.89Å; R270-N399 VanDerWaalsContact NH1-O 3.16Å
271	G	50.6	Low	69.2	Low	45 Å²	45	100 Å²	100	46%	0.464	52%	0.519	S	S	.	.	S	Bend	trans	-175.6	155.8	179.6	0	0	0	0	0	114.4	N269 D273	N269-G271 PolarHBondContact O-N 3.32Å; G271-D273 PolarHBondContact O-N 3.01Å
272	E	50.9	Low	69.1	Low	205 Å²	205	102.1 Å²	102.1	96%	0.958	54%	0.538	S	S	*	.	S	Bend	trans	-65.2	-11	178.4	-70.5	-177.6	149.9	0	0	113.6
273	D	52.9	Low	69.4	Low	152 Å²	152	102.3 Å²	102.3	81%	0.813	54%	0.539	S	S	*	.	S	Bend	trans	-122.5	87.4	173.4	-77.2	-38.9	0	0	0	110.4	G271 M275	G271-D273 PolarHBondContact O-N 3.01Å; D273-M275 PolarHBondContact O-N 3.15Å
274	G	54.7	Low	69.8	Low	36 Å²	36	100.6 Å²	100.6	37%	0.371	53%	0.528	S	S	.	.			trans	-68	74.8	-169.9	0	0	0	0	0	116.8
275	M	57.5	Low	70.6	Confident	177 Å²	177	100.5 Å²	100.5	87%	0.872	53%	0.529	S	S	*	.			trans	-133.1	49.3	174.3	-74.9	-72.2	162.6	0	0	113.6	D273 G277	D273-M275 PolarHBondContact O-N 3.15Å; M275-G277 PolarHBondContact O-N 3.41Å
276	D	70.6	Confident	71.8	Confident	48 Å²	48	95.2 Å²	95.2	26%	0.257	52%	0.519	S	S	.	.			trans	-63.5	133.4	168.4	-55.3	-19.4	0	0	0	110.4	E280 K281	D276-E280 HydrophobicContact CB-CB 4.28Å; D276-K281 HydrophobicContact CB-CG 4.07Å; D276-K281 WeakPolarHBondContact O-CE 3.35Å
277	G	82.4	Confident	73.1	Confident	31 Å²	31	89.5 Å²	89.5	32%	0.32	49%	0.489	S	S	.	.			trans	-64.9	163.2	175.5	0	0	0	0	0	113.2	M275 F279 E280 K281	M275-G277 PolarHBondContact O-N 3.41Å; G277-F279 VanDerWaalsContact C-N 3.28Å; G277-F279 PolarHBondContact O-N 3.45Å; G277-E280 PolarHBondContact N-OE1 3.36Å; G277-E280 PolarHBondContact O-N 3.43Å; G277-K281 PolarHBondContact O-N 2.83Å; G277-K281 VanDerWaalsContact O-N 3.1Å
278	V	85.3	Confident	74.5	Confident	124 Å²	124	88.8 Å²	88.8	75%	0.752	49%	0.485	S	S	*	.	H	α-helix	trans	-58.9	-39.1	-179.4	176.7	0	0	0	0	112	K281 A282	V278-K281 PolarHBondContact O-N 3.31Å; V278-A282 WeakPolarHBondContact O-CB 3.29Å; V278-A282 PolarHBondContact O-N 3.25Å
279	F	87.3	Confident	76.1	Confident	183 Å²	183	82.8 Å²	82.8	80%	0.803	46%	0.458	S	S	*	.	H	α-helix	trans	-70.2	-34.8	178.5	-73.4	-72.3	0	0	0	113	G277 A282 A283	G277-F279 VanDerWaalsContact C-N 3.28Å; G277-F279 PolarHBondContact O-N 3.45Å; F279-A282 PolarHBondContact O-N 3Å; F279-A283 WeakPolarHBondContact O-CB 3.47Å; F279-A283 PolarHBondContact O-N 2.97Å
280	E	86.8	Confident	78	Confident	108 Å²	108	79.3 Å²	79.3	51%	0.505	44%	0.44	S	S	.	.	H	α-helix	trans	-64.7	-42.9	174.7	-67.3	172.4	-102.4	0	0	110.6	D276 G277 A283 A284	D276-E280 HydrophobicContact CB-CB 4.28Å; G277-E280 PolarHBondContact N-OE1 3.36Å; G277-E280 PolarHBondContact O-N 3.43Å; E280-A283 PolarHBondContact O-N 2.94Å; E280-A284 WeakPolarHBondContact O-CB 3.32Å; E280-A284 PolarHBondContact O-N 2.96Å
281	K	85.8	Confident	79.8	Confident	95 Å²	95	75.5 Å²	75.5	41%	0.413	43%	0.431	S	S	.	.	H	α-helix	trans	-64.5	-42.4	174.2	-65.5	-173.9	-176.7	-172.2	0	112.4	D276 G277 V278 A283 A284 L285	D276-K281 HydrophobicContact CB-CG 4.07Å; D276-K281 WeakPolarHBondContact O-CE 3.35Å; G277-K281 PolarHBondContact O-N 2.83Å; G277-K281 VanDerWaalsContact O-N 3.1Å; V278-K281 PolarHBondContact O-N 3.31Å; K281-A283 VanDerWaalsContact C-N 3.34Å; K281-A284 PolarHBondContact O-N 2.84Å; K281-L285 VanDerWaalsContact O-CG 3.32Å; K281-L285 WeakPolarHBondContact O-CG 3.04Å; K281-L285 PolarHBondContact O-N 3.1Å
282	A	88.1	Confident	81.8	Confident	52 Å²	52	75.2 Å²	75.2	43%	0.43	42%	0.421	S	S	.	.	H	α-helix	trans	-62.2	-42.4	176.4	0	0	0	0	0	111.6	V278 F279 L285 S286	V278-A282 WeakPolarHBondContact O-CB 3.29Å; V278-A282 PolarHBondContact O-N 3.25Å; F279-A282 PolarHBondContact O-N 3Å; A282-L285 PolarHBondContact O-N 3.48Å; A282-S286 WeakPolarHBondContact O-CB 3.46Å; A282-S286 PolarHBondContact O-N 3.17Å
283	A	90.4	Very high	84	Confident	28 Å²	28	66 Å²	66	23%	0.231	38%	0.378	C	S	.	.	H	α-helix	trans	-64.2	-46.1	175.7	0	0	0	0	0	111.5	F279 E280 K281 L285 S286 L287 L398	F279-A283 WeakPolarHBondContact O-CB 3.47Å; F279-A283 PolarHBondContact O-N 2.97Å; E280-A283 PolarHBondContact O-N 2.94Å; K281-A283 VanDerWaalsContact C-N 3.34Å; A283-L285 VanDerWaalsContact C-N 3.31Å; A283-L285 PolarHBondContact O-N 3.3Å; A283-S286 PolarHBondContact O-N 3.25Å; A283-L287 WeakPolarHBondContact O-CB 3.26Å; A283-L287 VanDerWaalsContact O-CG 3.24Å; A283-L287 WeakPolarHBondContact O-CG 3.16Å; A283-L287 PolarHBondContact O-N 3.02Å; A283-L398 HydrophobicContact CB-CD1 3.74Å
284	A	87.4	Confident	86	Confident	16 Å²	16	58.8 Å²	58.8	13%	0.132	34%	0.34	C	S	.	.	H	α-helix	trans	-58.7	-41.2	177.3	0	0	0	0	0	112.5	P267 E280 K281 S288	P267-A284 HydrophobicContact CG-CB 4.41Å; E280-A284 WeakPolarHBondContact O-CB 3.32Å; E280-A284 PolarHBondContact O-N 2.96Å; K281-A284 PolarHBondContact O-N 2.84Å; A284-S288 WeakPolarHBondContact O-CB 3.4Å; A284-S288 PolarHBondContact O-N 3.37Å
285	L	88.6	Confident	87.9	Confident	71 Å²	71	58.9 Å²	58.9	37%	0.372	34%	0.337	S	S	.	.	H	α-helix	trans	-67.9	-42.6	176.1	-70.1	169.6	0	0	0	112.5	L266 K281 A282 A283 S288 L289	L266-L285 HydrophobicContact CD2-CD1 4.16Å; L266-L285 HydrophobicContact CD2-CD2 3.58Å; L266-L285 HydrophobicContact CD2-CG 4.44Å; K281-L285 VanDerWaalsContact O-CG 3.32Å; K281-L285 WeakPolarHBondContact O-CG 3.04Å; K281-L285 PolarHBondContact O-N 3.1Å; A282-L285 PolarHBondContact O-N 3.48Å; A283-L285 VanDerWaalsContact C-N 3.31Å; A283-L285 PolarHBondContact O-N 3.3Å; L285-S288 PolarHBondContact O-N 2.9Å; L285-L289 PolarHBondContact O-N 3.39Å
286	S	91.4	Very high	89.7	Confident	62 Å²	62	50.4 Å²	50.4	43%	0.434	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-47.5	175.8	-173.8	0	0	0	0	111.2	A282 A283 S288 L289 L290	A282-S286 WeakPolarHBondContact O-CB 3.46Å; A282-S286 PolarHBondContact O-N 3.17Å; A283-S286 PolarHBondContact O-N 3.25Å; S286-S288 PolarHBondContact O-N 2.83Å; S286-L289 WeakPolarHBondContact O-CB 3.45Å; S286-L289 PolarHBondContact O-N 2.97Å; S286-L290 WeakPolarHBondContact O-CG 3.44Å; S286-L290 PolarHBondContact O-N 2.98Å
287	L	93	Very high	90.8	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.052	29%	0.29	C	S	.	.	H	α-helix	trans	-65.1	-37.8	178.2	-66.4	168.6	0	0	0	112.2	A283 L290 S291 L390 L391 L398 F400	A283-L287 WeakPolarHBondContact O-CB 3.26Å; A283-L287 VanDerWaalsContact O-CG 3.24Å; A283-L287 WeakPolarHBondContact O-CG 3.16Å; A283-L287 PolarHBondContact O-N 3.02Å; L287-L290 PolarHBondContact O-N 2.65Å; L287-S291 VanDerWaalsContact O-CB 3.23Å; L287-S291 WeakPolarHBondContact O-CB 3.48Å; L287-S291 PolarHBondContact O-N 2.97Å; L287-L390 VanDerWaalsContact CD2-O 3.28Å; L287-L390 WeakPolarHBondContact CD2-O 3.46Å; L287-L391 HydrophobicContact CD2-CD2 4.15Å; L287-L391 WeakPolarHBondContact O-CD2 3.41Å; L287-L398 HydrophobicContact CD1-CD1 3.94Å; L287-F400 HydrophobicContact CB-CD1 4.21Å; L287-F400 HydrophobicContact CB-CD2 3.55Å; L287-F400 HydrophobicContact CB-CE1 4.09Å; L287-F400 HydrophobicContact CB-CE2 3.44Å; L287-F400 VanDerWaalsContact CB-CE2 3.44Å; L287-F400 HydrophobicContact CB-CG 3.98Å; L287-F400 HydrophobicContact CB-CZ 3.74Å; L287-F400 HydrophobicContact CD1-CB 3.94Å; L287-F400 HydrophobicContact CD1-CD2 3.87Å; L287-F400 HydrophobicContact CD1-CG 3.89Å; L287-F400 HydrophobicContact CG-CD2 4.35Å; L287-F400 HydrophobicContact CG-CG 4.47Å; L287-F400 WeakPolarHBondContact O-CZ 3.44Å
288	S	90.7	Very high	91.3	Very high	35 Å²	35	50.5 Å²	50.5	25%	0.245	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-43.5	173.4	-174.3	0	0	0	0	112	Q264 A284 L285 S286 S291 C292	Q264-S288 PolarHBondContact OE1-OG 3.15Å; A284-S288 WeakPolarHBondContact O-CB 3.4Å; A284-S288 PolarHBondContact O-N 3.37Å; L285-S288 PolarHBondContact O-N 2.9Å; S286-S288 PolarHBondContact O-N 2.83Å; S288-S291 PolarHBondContact O-N 3.13Å; S288-C292 PolarHBondContact O-N 2.9Å
289	L	92.4	Very high	91.6	Very high	55 Å²	55	50.2 Å²	50.2	29%	0.288	28%	0.281	S	S	.	.	H	α-helix	trans	-61.7	-49.1	175.8	174.1	61.6	0	0	0	111.5	C259 E260 L285 S286 S291 C292 Q293	C259-L289 HydrophobicContact CB-CD1 4.03Å; C259-L289 WeakPolarHBondContact O-CD1 3.22Å; E260-L289 HydrophobicContact CG-CD1 3.99Å; L285-L289 PolarHBondContact O-N 3.39Å; S286-L289 WeakPolarHBondContact O-CB 3.45Å; S286-L289 PolarHBondContact O-N 2.97Å; L289-S291 VanDerWaalsContact C-N 3.34Å; L289-S291 PolarHBondContact O-N 3.14Å; L289-C292 PolarHBondContact O-N 3.38Å; L289-Q293 HydrophobicContact CD1-CG 4.36Å; L289-Q293 WeakPolarHBondContact O-CG 3.14Å; L289-Q293 PolarHBondContact O-N 3.26Å
290	L	95.3	Very high	91.9	Very high	18 Å²	18	42.1 Å²	42.1	9%	0.094	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-40.7	179.2	-67	-179.6	0	0	0	111.9	S286 L287 Q293 Q294 E387 L390 L391	S286-L290 WeakPolarHBondContact O-CG 3.44Å; S286-L290 PolarHBondContact O-N 2.98Å; L287-L290 PolarHBondContact O-N 2.65Å; L290-Q293 WeakPolarHBondContact O-CB 3.36Å; L290-Q293 PolarHBondContact O-N 3.25Å; L290-Q294 WeakPolarHBondContact O-CG 3.36Å; L290-Q294 PolarHBondContact O-N 3.04Å; L290-E387 HydrophobicContact CD2-CB 4.24Å; L290-E387 HydrophobicContact CD2-CG 3.87Å; L290-L390 HydrophobicContact CD1-CB 3.75Å; L290-L390 HydrophobicContact CD1-CD1 3.79Å; L290-L390 HydrophobicContact CD1-CG 4.43Å; L290-L391 HydrophobicContact CB-CD1 4.02Å; L290-L391 HydrophobicContact CB-CD2 3.91Å; L290-L391 HydrophobicContact CB-CG 3.96Å
291	S	94.3	Very high	92.2	Very high	35 Å²	35	37.2 Å²	37.2	25%	0.245	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-44.7	177.1	-176.1	0	0	0	0	111.4	L287 S288 L289 Q293 Q294 A295	L287-S291 VanDerWaalsContact O-CB 3.23Å; L287-S291 WeakPolarHBondContact O-CB 3.48Å; L287-S291 PolarHBondContact O-N 2.97Å; S288-S291 PolarHBondContact O-N 3.13Å; L289-S291 VanDerWaalsContact C-N 3.34Å; L289-S291 PolarHBondContact O-N 3.14Å; S291-Q293 VanDerWaalsContact C-N 3.32Å; S291-Q293 PolarHBondContact O-N 3.18Å; S291-Q294 PolarHBondContact O-N 3.06Å; S291-A295 WeakPolarHBondContact O-CB 3.43Å; S291-A295 PolarHBondContact O-N 3.49Å
292	C	93.1	Very high	92.4	Very high	39 Å²	39	34.3 Å²	34.3	26%	0.264	22%	0.215	S	C	.	.	H	α-helix	trans	-57.9	-45	172.6	-178.1	0	0	0	0	111.8	C259 S288 L289 Q294 A295 C296	C259-C292 VanDerWaalsContact CA-SG 3.59Å; C259-C292 HydrophobicContact CB-CB 3.76Å; C259-C292 WeakPolarHBondContact CB-SG 3.48Å; C259-C292 WeakPolarHBondContact SG-CB 3.17Å; C259-C292 PolarHBondContact SG-O 2.89Å; C259-C292 VanDerWaalsContact SG-O 3.35Å; C259-C292 CovalentContact SG-SG 2.05Å; C259-C292 PolarHBondContact SG-SG 3.45Å; S288-C292 PolarHBondContact O-N 2.9Å; L289-C292 PolarHBondContact O-N 3.38Å; C292-Q294 VanDerWaalsContact C-N 3.32Å; C292-Q294 PolarHBondContact O-N 3.5Å; C292-A295 PolarHBondContact O-N 3.38Å; C292-C296 PolarHBondContact O-N 3.12Å
293	Q	95.4	Very high	92.5	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.047	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-33.1	-179.4	-76.2	179.1	-23.3	0	0	113.3	R256 C259 E260 L289 L290 S291 C296	R256-Q293 HydrophobicContact CB-CG 4.35Å; R256-Q293 HydrophobicContact CG-CB 4.26Å; R256-Q293 HydrophobicContact CG-CG 4.29Å; C259-Q293 HydrophobicContact CB-CG 3.96Å; E260-Q293 PolarHBondContact OE1-NE2 2.83Å; L289-Q293 HydrophobicContact CD1-CG 4.36Å; L289-Q293 WeakPolarHBondContact O-CG 3.14Å; L289-Q293 PolarHBondContact O-N 3.26Å; L290-Q293 WeakPolarHBondContact O-CB 3.36Å; L290-Q293 PolarHBondContact O-N 3.25Å; S291-Q293 VanDerWaalsContact C-N 3.32Å; S291-Q293 PolarHBondContact O-N 3.18Å; Q293-C296 WeakPolarHBondContact O-CB 3.36Å
294	Q	95.8	Very high	92.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-75.6	-38.2	174.2	-72	-71.1	-49	0	0	111.4	L290 S291 C292 C296 V297 S384 E387 L391 F402 P405	L290-Q294 WeakPolarHBondContact O-CG 3.36Å; L290-Q294 PolarHBondContact O-N 3.04Å; S291-Q294 PolarHBondContact O-N 3.06Å; C292-Q294 VanDerWaalsContact C-N 3.32Å; C292-Q294 PolarHBondContact O-N 3.5Å; Q294-C296 PolarHBondContact O-N 3.33Å; Q294-C296 VanDerWaalsContact O-N 3.11Å; Q294-V297 WeakPolarHBondContact O-CB 3.32Å; Q294-V297 WeakPolarHBondContact O-CG2 3.43Å; Q294-V297 PolarHBondContact O-N 2.95Å; Q294-S384 PolarHBondContact NE2-OG 3.35Å; Q294-S384 PolarHBondContact OE1-OG 3.4Å; Q294-E387 PolarHBondContact NE2-OE2 3.33Å; Q294-L391 HydrophobicContact CB-CD1 4.46Å; Q294-L391 HydrophobicContact CG-CD1 3.71Å; Q294-F402 HydrophobicContact CB-CE2 4.24Å; Q294-P405 HydrophobicContact CB-CG 4.33Å
295	A	93.8	Very high	91.7	Very high	37 Å²	37	35 Å²	35	31%	0.306	21%	0.209	S	C	.	.	H	α-helix	trans	-61.4	-20.9	175.4	0	0	0	0	0	113.6	S291 C292 V297 T298 Q299	S291-A295 WeakPolarHBondContact O-CB 3.43Å; S291-A295 PolarHBondContact O-N 3.49Å; C292-A295 PolarHBondContact O-N 3.38Å; A295-V297 PolarHBondContact O-N 3.31Å; A295-T298 PolarHBondContact O-N 3.48Å; A295-Q299 WeakPolarHBondContact O-CG 3.34Å; A295-Q299 PolarHBondContact O-N 2.78Å
296	C	95.3	Very high	91.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-27.3	172.7	-72.1	0	0	0	0	113.5	T252 C255 R256 C292 Q293 Q294 V300	T252-C296 HydrophobicContact CG2-CB 4.37Å; C255-C296 HydrophobicContact CB-CB 3.66Å; C255-C296 WeakPolarHBondContact CB-SG 3.33Å; C255-C296 WeakPolarHBondContact SG-CA 3.37Å; C255-C296 WeakPolarHBondContact SG-CB 3.38Å; C255-C296 CovalentContact SG-SG 2.04Å; C255-C296 PolarHBondContact SG-SG 3.11Å; R256-C296 HydrophobicContact CG-CB 4.13Å; R256-C296 PolarHBondContact N-SG 3.41Å; R256-C296 VanDerWaalsContact N-SG 3.4Å; C292-C296 PolarHBondContact O-N 3.12Å; Q293-C296 WeakPolarHBondContact O-CB 3.36Å; Q294-C296 PolarHBondContact O-N 3.33Å; Q294-C296 VanDerWaalsContact O-N 3.11Å; C296-V300 WeakPolarHBondContact O-CB 3.37Å; C296-V300 WeakPolarHBondContact O-CG2 3.47Å; C296-V300 PolarHBondContact O-N 2.55Å
297	V	94.8	Very high	90.3	Very high	25 Å²	25	36.2 Å²	36.2	15%	0.152	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-51.1	176.7	-178	0	0	0	0	109.7	Q294 A295 V300 A301 Y380 P405	Q294-V297 WeakPolarHBondContact O-CB 3.32Å; Q294-V297 WeakPolarHBondContact O-CG2 3.43Å; Q294-V297 PolarHBondContact O-N 2.95Å; A295-V297 PolarHBondContact O-N 3.31Å; V297-V300 PolarHBondContact O-N 3.26Å; V297-A301 VanDerWaalsContact O-CB 3.26Å; V297-A301 WeakPolarHBondContact O-CB 3.49Å; V297-A301 PolarHBondContact O-N 2.65Å; V297-A301 VanDerWaalsContact O-N 3.09Å; V297-Y380 VanDerWaalsContact CG2-OH 3.27Å; V297-Y380 WeakPolarHBondContact CG2-OH 3.38Å; V297-P405 HydrophobicContact CB-CG 4.49Å
298	T	91.9	Very high	89.6	Confident	55 Å²	55	38.4 Å²	38.4	34%	0.337	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-46.7	175.4	-49	0	0	0	0	111.4	A295 V300 A301 T302 A309 P405	A295-T298 PolarHBondContact O-N 3.48Å; T298-V300 PolarHBondContact O-N 3.41Å; T298-A301 CarbonylContact O-C 3.48Å; T298-A301 PolarHBondContact O-N 3.5Å; T298-A301 VanDerWaalsContact O-N 3.16Å; T298-T302 PolarHBondContact O-N 2.94Å; T298-T302 PolarHBondContact O-OG1 2.94Å; T298-A309 HydrophobicContact CG2-CB 3.56Å; T298-A309 WeakPolarHBondContact O-CB 3.49Å; T298-P405 VanDerWaalsContact OG1-CB 3.27Å; T298-P405 WeakPolarHBondContact OG1-CB 3.16Å
299	Q	91.7	Very high	89.4	Confident	118 Å²	118	37.3 Å²	37.3	55%	0.551	22%	0.216	S	C	*	.	H	α-helix	trans	-60.7	-42.8	-178.3	-71.7	176.6	42.8	0	0	113.1	A295 A301 T302	A295-Q299 WeakPolarHBondContact O-CG 3.34Å; A295-Q299 PolarHBondContact O-N 2.78Å; Q299-A301 VanDerWaalsContact C-N 3.31Å; Q299-T302 PolarHBondContact O-N 2.77Å
300	V	94.5	Very high	89.1	Confident	14 Å²	14	35.9 Å²	35.9	9%	0.085	21%	0.207	C	C	.	.	H	α-helix	trans	-70.9	-31.8	178.5	172.2	0	0	0	0	111.4	H218 T248 Q251 C296 V297 T298 F313	H218-V300 PolarHBondContact NE2-O 3.45Å; T248-V300 HydrophobicContact CG2-CG1 4.03Å; Q251-V300 HydrophobicContact CB-CG1 4.26Å; Q251-V300 HydrophobicContact CB-CG2 4.22Å; C296-V300 WeakPolarHBondContact O-CB 3.37Å; C296-V300 WeakPolarHBondContact O-CG2 3.47Å; C296-V300 PolarHBondContact O-N 2.55Å; V297-V300 PolarHBondContact O-N 3.26Å; T298-V300 PolarHBondContact O-N 3.41Å; V300-F313 HydrophobicContact CG1-CE1 4.43Å
301	A	93.6	Very high	88.6	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-83.4	-4.9	178.2	0	0	0	0	0	114.4	W219 V297 T298 Q299 A309 Q310 F313	W219-A301 WeakPolarHBondContact CZ2-O 3.42Å; V297-A301 VanDerWaalsContact O-CB 3.26Å; V297-A301 WeakPolarHBondContact O-CB 3.49Å; V297-A301 PolarHBondContact O-N 2.65Å; V297-A301 VanDerWaalsContact O-N 3.09Å; T298-A301 CarbonylContact O-C 3.48Å; T298-A301 PolarHBondContact O-N 3.5Å; T298-A301 VanDerWaalsContact O-N 3.16Å; Q299-A301 VanDerWaalsContact C-N 3.31Å; A301-A309 HydrophobicContact CB-CB 3.97Å; A301-Q310 PolarHBondContact O-N 2.88Å; A301-F313 HydrophobicContact CB-CB 3.59Å; A301-F313 HydrophobicContact CB-CD1 3.84Å; A301-F313 HydrophobicContact CB-CG 3.84Å
302	T	89.9	Confident	88.4	Confident	34 Å²	34	37.4 Å²	37.4	21%	0.209	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-85.9	121	172	-57.9	0	0	0	0	110.1	W219 T298 Q299 R306	W219-T302 PolarHBondContact NE1-O 3.04Å; T298-T302 PolarHBondContact O-N 2.94Å; T298-T302 PolarHBondContact O-OG1 2.94Å; Q299-T302 PolarHBondContact O-N 2.77Å; T302-R306 HydrophobicContact CG2-CB 4.31Å
303	R	88.7	Confident	88.4	Confident	58 Å²	58	36 Å²	36	22%	0.219	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-75.8	144.6	175.8	-164.7	173	-168.3	-138.3	2.9	110.6	W219 D223 G305 R306 E595	W219-R303 HydrophobicContact CD2-CB 4.34Å; W219-R303 HydrophobicContact CD2-CG 4.04Å; W219-R303 HydrophobicContact CE3-CG 4.23Å; W219-R303 HydrophobicContact CG-CG 4.47Å; W219-R303 HydrophobicContact CH2-CB 4.11Å; W219-R303 HydrophobicContact CZ2-CB 3.81Å; W219-R303 HydrophobicContact CZ2-CG 4.41Å; W219-R303 HydrophobicContact CZ3-CB 4.48Å; W219-R303 HydrophobicContact CZ3-CG 4.49Å; D223-R303 IonicContact OD1-CZ 3.54Å; D223-R303 IonicContact OD1-NH2 2.76Å; D223-R303 PolarHBondContact OD1-NH2 3.37Å; D223-R303 IonicContact OD2-CZ 3.48Å; D223-R303 IonicContact OD2-NH2 2.76Å; D223-R303 PolarHBondContact OD2-NH2 3.3Å; R303-G305 PolarHBondContact O-N 3.4Å; R303-R306 HydrophobicContact CB-CG 3.96Å; R303-R306 WeakPolarHBondContact O-CB 3.43Å; R303-R306 PolarHBondContact O-N 2.83Å; R303-E595 IonicContact NH1-OE1 3.05Å; R303-E595 PolarHBondContact NH1-OE1 3.47Å
304	P	85.6	Confident	88.4	Confident	30 Å²	30	36.2 Å²	36.2	20%	0.195	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	130.9	171.4	-29.7	37.5	0	0	0	111.6	V182 E216	V182-P304 HydrophobicContact CG1-CB 3.97Å; E216-P304 VanDerWaalsContact CD-CG 3.5Å; E216-P304 WeakPolarHBondContact OE2-CG 3.39Å
305	G	76.6	Confident	88.2	Confident	24 Å²	24	36.5 Å²	36.5	25%	0.247	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	0.6	-177.2	0	0	0	0	0	115.4	A183 R303	A183-G305 VanDerWaalsContact O-CA 3.29Å; A183-G305 WeakPolarHBondContact O-CA 3.33Å; R303-G305 PolarHBondContact O-N 3.4Å
306	R	78.8	Confident	88.1	Confident	42 Å²	42	36.1 Å²	36.1	16%	0.158	20%	0.198	C	C	.	.			trans	-106.2	158	172.3	-61.2	-63.4	-172.3	-176.9	-4.4	112	T302 R303 L593 E595 W602	T302-R306 HydrophobicContact CG2-CB 4.31Å; R303-R306 HydrophobicContact CB-CG 3.96Å; R303-R306 WeakPolarHBondContact O-CB 3.43Å; R303-R306 PolarHBondContact O-N 2.83Å; R306-L593 PolarHBondContact NH1-O 3.41Å; R306-E595 IonicContact CZ-OE1 3.83Å; R306-E595 IonicContact NE-OE1 3.46Å; R306-E595 VanDerWaalsContact NH2-CB 3.32Å; R306-E595 IonicContact NH2-OE1 3.89Å; R306-E595 PolarHBondContact NH2-OE1 2.94Å; R306-W602 VanDerWaalsContact NH2-CD1 3.3Å
307	I	71.6	Confident	88.1	Confident	115 Å²	115	36.1 Å²	36.1	59%	0.59	20%	0.198	S	C	*	.	S	Bend	trans	-101.5	-41	172	-56.9	172.5	0	0	0	109.5	E604 P605	I307-E604 PolarHBondContact N-OE1 2.65Å; I307-P605 HydrophobicContact CD1-CB 4.39Å; I307-P605 WeakPolarHBondContact CD1-O 3.47Å
308	S	78.3	Confident	88	Confident	56 Å²	56	35.1 Å²	35.1	39%	0.392	19%	0.192	S	C	.	.	S	Bend	trans	-84.9	143	178.7	-56.5	0	0	0	0	111.6	E604	S308-E604 VanDerWaalsContact CB-OE2 3.23Å; S308-E604 WeakPolarHBondContact CB-OE2 3.37Å; S308-E604 PolarHBondContact N-OE2 3.45Å; S308-E604 VanDerWaalsContact N-OE2 3.14Å; S308-E604 PolarHBondContact OG-OE2 3.29Å
309	A	86.6	Confident	87.8	Confident	13 Å²	13	36.7 Å²	36.7	11%	0.107	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-74.7	152.5	168.8	0	0	0	0	0	110.8	T298 A301 E311	T298-A309 HydrophobicContact CG2-CB 3.56Å; T298-A309 WeakPolarHBondContact O-CB 3.49Å; A301-A309 HydrophobicContact CB-CB 3.97Å; A309-E311 PolarHBondContact O-N 3.36Å
310	Q	85.8	Confident	87.8	Confident	24 Å²	24	33.3 Å²	33.3	11%	0.112	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-68.8	116.9	165.3	-175	175.3	-17.4	0	0	108.6	W219 Y222 A301 F313	W219-Q310 HydrophobicContact CH2-CB 4.46Å; Y222-Q310 PolarHBondContact OH-NE2 2.96Å; A301-Q310 PolarHBondContact O-N 2.88Å; Q310-F313 HydrophobicContact CB-CB 4.42Å; Q310-F313 HydrophobicContact CB-CD2 4.13Å; Q310-F313 HydrophobicContact CG-CD2 4.21Å
311	E	84.6	Confident	87.8	Confident	56 Å²	56	33.1 Å²	33.1	26%	0.262	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	145.4	172.5	-65.1	-59.4	156.9	0	0	110.3	A309 F313 L407 L433	A309-E311 PolarHBondContact O-N 3.36Å; E311-F313 PolarHBondContact O-N 3.28Å; E311-L407 HydrophobicContact CB-CD1 4.01Å; E311-L407 HydrophobicContact CG-CD1 4.3Å; E311-L433 HydrophobicContact CB-CD1 4.25Å; E311-L433 HydrophobicContact CB-CD2 3.8Å; E311-L433 HydrophobicContact CB-CG 4.31Å; E311-L433 HydrophobicContact CG-CD2 4.12Å; E311-L433 HydrophobicContact CG-CG 4.4Å
312	D	89.9	Confident	87.6	Confident	29 Å²	29	33 Å²	33	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	36.7	179.4	-78.1	-21.1	0	0	0	114	L314 P315 T316 Y345	D312-L314 PolarHBondContact O-N 3.02Å; D312-P315 HydrophobicContact CB-CB 4.08Å; D312-P315 HydrophobicContact CB-CG 4.07Å; D312-P315 VanDerWaalsContact O-CD 3.26Å; D312-P315 WeakPolarHBondContact O-CD 3.28Å; D312-T316 VanDerWaalsContact O-CB 3.28Å; D312-T316 WeakPolarHBondContact O-CB 3.42Å; D312-T316 PolarHBondContact O-N 2.98Å; D312-T316 PolarHBondContact O-OG1 2.82Å; D312-Y345 PolarHBondContact OD1-OH 3.27Å; D312-Y345 VanDerWaalsContact OD1-OH 3.08Å; D312-Y345 WeakPolarHBondContact OD2-CE2 3.25Å; D312-Y345 PolarHBondContact OD2-OH 3.22Å
313	F	92.8	Very high	87.4	Confident	11 Å²	11	33.8 Å²	33.8	5%	0.048	18%	0.179	C	C	.	.	H	α-helix	trans	-53.9	-50	-175.3	-174.8	-129	0	0	0	113.5	H218 W219 Y222 T248 V300 A301 Q310 E311 Q317	H218-F313 AromaticContact CD2-CE1 3.82Å; H218-F313 AromaticContact CD2-CZ 3.94Å; W219-F313 HydrophobicContact CD2-CZ 4.41Å; W219-F313 HydrophobicContact CE3-CE2 4.25Å; W219-F313 HydrophobicContact CE3-CZ 4.18Å; W219-F313 AromaticContact CH2-CD2 3.98Å; W219-F313 HydrophobicContact CH2-CD2 3.98Å; W219-F313 AromaticContact CH2-CE2 3.31Å; W219-F313 HydrophobicContact CH2-CE2 3.31Å; W219-F313 AromaticContact CH2-CZ 3.62Å; W219-F313 HydrophobicContact CH2-CZ 3.62Å; W219-F313 HydrophobicContact CZ2-CE1 4.45Å; W219-F313 HydrophobicContact CZ2-CE2 4.01Å; W219-F313 AromaticContact CZ2-CZ 3.87Å; W219-F313 HydrophobicContact CZ2-CZ 3.87Å; W219-F313 HydrophobicContact CZ3-CD2 4.44Å; W219-F313 AromaticContact CZ3-CE2 3.46Å; W219-F313 HydrophobicContact CZ3-CE2 3.46Å; W219-F313 VanDerWaalsContact CZ3-CE2 3.46Å; W219-F313 AromaticContact CZ3-CZ 3.79Å; W219-F313 HydrophobicContact CZ3-CZ 3.79Å; Y222-F313 AromaticContact CD2-CE2 3.72Å; Y222-F313 HydrophobicContact CD2-CE2 3.72Å; Y222-F313 HydrophobicContact CD2-CZ 4.18Å; Y222-F313 HydrophobicContact CE2-CD2 4.29Å; Y222-F313 AromaticContact CE2-CE2 3.66Å; Y222-F313 HydrophobicContact CE2-CE2 3.66Å; T248-F313 HydrophobicContact CG2-CD1 3.98Å; T248-F313 HydrophobicContact CG2-CE1 3.82Å; V300-F313 HydrophobicContact CG1-CE1 4.43Å; A301-F313 HydrophobicContact CB-CB 3.59Å; A301-F313 HydrophobicContact CB-CD1 3.84Å; A301-F313 HydrophobicContact CB-CG 3.84Å; Q310-F313 HydrophobicContact CB-CB 4.42Å; Q310-F313 HydrophobicContact CB-CD2 4.13Å; Q310-F313 HydrophobicContact CG-CD2 4.21Å; E311-F313 PolarHBondContact O-N 3.28Å; F313-Q317 VanDerWaalsContact O-CG 3.29Å; F313-Q317 WeakPolarHBondContact O-CG 3.25Å; F313-Q317 PolarHBondContact O-N 3.11Å; F313-Q317 VanDerWaalsContact O-N 3.14Å
314	L	95.3	Very high	87.4	Confident	14 Å²	14	31 Å²	31	7%	0.073	17%	0.168	C	C	.	.	H	α-helix	trans	-70.4	-45.7	178	179.9	65.4	0	0	0	112.8	V245 L249 D312 T316 Q317 L318 F344 I377 Y380	V245-L314 HydrophobicContact CG1-CD1 4.15Å; L249-L314 HydrophobicContact CD2-CD1 4.44Å; L249-L314 HydrophobicContact CD2-CD2 3.83Å; D312-L314 PolarHBondContact O-N 3.02Å; L314-T316 VanDerWaalsContact C-N 3.33Å; L314-T316 PolarHBondContact O-N 3Å; L314-Q317 PolarHBondContact O-N 3.39Å; L314-L318 WeakPolarHBondContact O-CG 3.27Å; L314-L318 PolarHBondContact O-N 3.46Å; L314-L318 VanDerWaalsContact O-N 3.12Å; L314-F344 HydrophobicContact CD2-CZ 3.87Å; L314-F344 HydrophobicContact CG-CZ 4.26Å; L314-I377 HydrophobicContact CD1-CD1 4.4Å; L314-I377 HydrophobicContact CD2-CD1 4.21Å; L314-Y380 HydrophobicContact CD2-CD1 4.11Å; L314-Y380 HydrophobicContact CD2-CE1 3.99Å; L314-Y380 HydrophobicContact CD2-CG 4.45Å
315	P	93.4	Very high	87.7	Confident	8 Å²	8	30 Å²	30	5%	0.052	16%	0.161	C	C	.	.	H	α-helix	trans	-52.7	-46.1	170.1	-27.7	32	0	0	0	113.9	D312 Q317 L318 E319 L341 F344	D312-P315 HydrophobicContact CB-CB 4.08Å; D312-P315 HydrophobicContact CB-CG 4.07Å; D312-P315 VanDerWaalsContact O-CD 3.26Å; D312-P315 WeakPolarHBondContact O-CD 3.28Å; P315-Q317 VanDerWaalsContact C-N 3.35Å; P315-Q317 PolarHBondContact O-N 2.9Å; P315-L318 WeakPolarHBondContact O-CA 3.44Å; P315-L318 WeakPolarHBondContact O-CB 3.04Å; P315-L318 PolarHBondContact O-N 2.92Å; P315-E319 PolarHBondContact O-N 3.34Å; P315-L341 HydrophobicContact CB-CD1 3.81Å; P315-L341 WeakPolarHBondContact O-CD1 3.24Å; P315-F344 HydrophobicContact CG-CB 4.35Å; P315-F344 HydrophobicContact CG-CD1 3.85Å; P315-F344 HydrophobicContact CG-CD2 4.38Å; P315-F344 HydrophobicContact CG-CE1 4.2Å; P315-F344 HydrophobicContact CG-CG 3.95Å
316	T	90.4	Very high	88.2	Confident	28 Å²	28	32.1 Å²	32.1	17%	0.172	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-44.4	178.8	-57.4	0	0	0	0	111.1	D312 L314 L318 E319 H320	D312-T316 VanDerWaalsContact O-CB 3.28Å; D312-T316 WeakPolarHBondContact O-CB 3.42Å; D312-T316 PolarHBondContact O-N 2.98Å; D312-T316 PolarHBondContact O-OG1 2.82Å; L314-T316 VanDerWaalsContact C-N 3.33Å; L314-T316 PolarHBondContact O-N 3Å; T316-L318 VanDerWaalsContact C-N 3.3Å; T316-L318 PolarHBondContact O-N 3.19Å; T316-E319 WeakPolarHBondContact O-CB 3.04Å; T316-E319 PolarHBondContact O-N 3.35Å; T316-H320 PolarHBondContact O-CD2 3.46Å; T316-H320 VanDerWaalsContact O-CD2 3.24Å; T316-H320 PolarHBondContact O-N 3.37Å
317	Q	94.4	Very high	88.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-38.3	174.7	-68.4	177.2	37.5	0	0	112.6	Y222 W241 C244 V245 T248 F313 L314 P315 L321	Y222-Q317 HydrophobicContact CD2-CG 4.12Å; Y222-Q317 HydrophobicContact CE2-CG 3.98Å; W241-Q317 HydrophobicContact CE3-CB 4.37Å; W241-Q317 HydrophobicContact CE3-CG 4.37Å; W241-Q317 HydrophobicContact CZ3-CB 4.35Å; W241-Q317 HydrophobicContact CZ3-CG 3.96Å; C244-Q317 PolarHBondContact O-OE1 2.59Å; C244-Q317 PolarHBondContact SG-OE1 3.34Å; C244-Q317 VanDerWaalsContact SG-OE1 3.36Å; V245-Q317 HydrophobicContact CG2-CB 3.76Å; T248-Q317 PolarHBondContact OG1-NE2 3.2Å; T248-Q317 PolarHBondContact OG1-OE1 3.31Å; T248-Q317 VanDerWaalsContact OG1-OE1 3.09Å; F313-Q317 VanDerWaalsContact O-CG 3.29Å; F313-Q317 WeakPolarHBondContact O-CG 3.25Å; F313-Q317 PolarHBondContact O-N 3.11Å; F313-Q317 VanDerWaalsContact O-N 3.14Å; L314-Q317 PolarHBondContact O-N 3.39Å; P315-Q317 VanDerWaalsContact C-N 3.35Å; P315-Q317 PolarHBondContact O-N 2.9Å; Q317-L321 VanDerWaalsContact O-CB 3.25Å; Q317-L321 WeakPolarHBondContact O-CB 3.41Å; Q317-L321 PolarHBondContact O-N 2.96Å
318	L	93.3	Very high	89.5	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-69.6	-34.4	176.5	-68.7	172.9	0	0	0	112.2	V245 L314 P315 T316 L321 H322 L341 F344 I377	V245-L318 HydrophobicContact CG1-CD2 4.25Å; V245-L318 HydrophobicContact CG2-CD2 4.29Å; L314-L318 WeakPolarHBondContact O-CG 3.27Å; L314-L318 PolarHBondContact O-N 3.46Å; L314-L318 VanDerWaalsContact O-N 3.12Å; P315-L318 WeakPolarHBondContact O-CA 3.44Å; P315-L318 WeakPolarHBondContact O-CB 3.04Å; P315-L318 PolarHBondContact O-N 2.92Å; T316-L318 VanDerWaalsContact C-N 3.3Å; T316-L318 PolarHBondContact O-N 3.19Å; L318-L321 PolarHBondContact O-N 3.47Å; L318-H322 PolarHBondContact O-CD2 3.01Å; L318-H322 VanDerWaalsContact O-CD2 3.29Å; L318-H322 PolarHBondContact O-N 2.83Å; L318-L341 HydrophobicContact CB-CB 4.39Å; L318-L341 HydrophobicContact CB-CD1 4.36Å; L318-F344 HydrophobicContact CD1-CD2 4.32Å; L318-F344 HydrophobicContact CD1-CE2 3.63Å; L318-F344 HydrophobicContact CD1-CZ 4.48Å; L318-I377 HydrophobicContact CD1-CD1 4.2Å; L318-I377 HydrophobicContact CD1-CG1 4.38Å; L318-I377 HydrophobicContact CD1-CG2 4.3Å; L318-I377 HydrophobicContact CD2-CD1 4.43Å; L318-I377 HydrophobicContact CD2-CG1 4.48Å
319	E	88.8	Confident	89.9	Confident	88 Å²	88	31.8 Å²	31.8	41%	0.411	18%	0.176	S	C	.	.	H	α-helix	trans	-60	-58.1	173.1	-171.9	176	179.4	0	0	110.9	P315 T316 L321 H322 I323 L341	P315-E319 PolarHBondContact O-N 3.34Å; T316-E319 WeakPolarHBondContact O-CB 3.04Å; T316-E319 PolarHBondContact O-N 3.35Å; E319-L321 VanDerWaalsContact C-N 3.27Å; E319-L321 PolarHBondContact O-N 2.82Å; E319-H322 WeakPolarHBondContact CA-CD2 3.48Å; E319-H322 PolarHBondContact O-CD2 3.06Å; E319-H322 PolarHBondContact O-N 3.19Å; E319-H322 PolarHBondContact O-NE2 3.18Å; E319-I323 HydrophobicContact CG-CD1 4Å; E319-I323 WeakPolarHBondContact O-CG1 3.44Å; E319-I323 PolarHBondContact O-N 3.26Å; E319-I323 VanDerWaalsContact O-N 3.12Å; E319-L341 HydrophobicContact CB-CD2 4.15Å
320	H	90.8	Very high	90.1	Very high	47 Å²	47	34.6 Å²	34.6	22%	0.218	19%	0.189	C	C	.	.	H	α-helix	trans	-54.7	-43.6	175.4	-79.4	-82	0	0	0	112.2	E229 W241 T316 H322 I323 A324	E229-H320 IonicContact OE1-CG 3.25Å; E229-H320 IonicContact OE1-ND1 3.83Å; E229-H320 PolarHBondContact OE1-ND1 3Å; E229-H320 IonicContact OE2-CE1 2.74Å; E229-H320 PolarHBondContact OE2-CE1 2.64Å; E229-H320 IonicContact OE2-CG 3.98Å; E229-H320 IonicContact OE2-ND1 2.89Å; E229-H320 PolarHBondContact OE2-ND1 3.17Å; W241-H320 HydrophobicContact CD2-CB 3.85Å; W241-H320 AromaticContact CE2-CG 3.87Å; W241-H320 HydrophobicContact CE3-CB 4.37Å; W241-H320 HydrophobicContact CG-CB 4.36Å; W241-H320 HydrophobicContact CH2-CB 4.05Å; W241-H320 AromaticContact CH2-CD2 3.98Å; W241-H320 AromaticContact CH2-CG 3.94Å; W241-H320 HydrophobicContact CZ2-CB 3.46Å; W241-H320 VanDerWaalsContact CZ2-CB 3.46Å; W241-H320 AromaticContact CZ2-CD2 3.91Å; W241-H320 AromaticContact CZ2-CG 3.42Å; W241-H320 VanDerWaalsContact CZ2-CG 3.42Å; W241-H320 AromaticContact CZ2-ND1 3.66Å; W241-H320 HydrophobicContact CZ3-CB 4.47Å; T316-H320 PolarHBondContact O-CD2 3.46Å; T316-H320 VanDerWaalsContact O-CD2 3.24Å; T316-H320 PolarHBondContact O-N 3.37Å; H320-H322 PolarHBondContact O-N 3.44Å; H320-I323 PolarHBondContact O-N 3.02Å; H320-A324 WeakPolarHBondContact O-CB 3.39Å; H320-A324 PolarHBondContact O-N 3.38Å
321	L	93.9	Very high	90.1	Very high	9 Å²	9	35.1 Å²	35.1	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-48.1	179.3	177.9	56.9	0	0	0	112.7	V238 W241 M242 V245 Q317 L318 E319 I323 A324 Q325	V238-L321 HydrophobicContact CG1-CD1 4.4Å; W241-L321 HydrophobicContact CB-CB 4.01Å; W241-L321 HydrophobicContact CB-CD1 3.77Å; W241-L321 HydrophobicContact CB-CG 4.42Å; M242-L321 HydrophobicContact CG-CD1 3.54Å; M242-L321 HydrophobicContact CG-CD2 4.07Å; M242-L321 HydrophobicContact CG-CG 4.47Å; V245-L321 HydrophobicContact CG2-CD2 4.36Å; Q317-L321 VanDerWaalsContact O-CB 3.25Å; Q317-L321 WeakPolarHBondContact O-CB 3.41Å; Q317-L321 PolarHBondContact O-N 2.96Å; L318-L321 PolarHBondContact O-N 3.47Å; E319-L321 VanDerWaalsContact C-N 3.27Å; E319-L321 PolarHBondContact O-N 2.82Å; L321-I323 VanDerWaalsContact C-N 3.32Å; L321-I323 PolarHBondContact O-N 3.18Å; L321-A324 PolarHBondContact O-N 3.32Å; L321-Q325 HydrophobicContact CD1-CG 3.98Å; L321-Q325 HydrophobicContact CG-CG 4.48Å; L321-Q325 WeakPolarHBondContact O-CB 3.23Å; L321-Q325 VanDerWaalsContact O-CG 3.25Å; L321-Q325 WeakPolarHBondContact O-CG 3.3Å; L321-Q325 PolarHBondContact O-N 2.98Å
322	H	90.1	Very high	90.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-68.8	-33.9	-178.6	80.9	76.5	0	0	0	111.8	L318 E319 H320 F326 L338 Y358	L318-H322 PolarHBondContact O-CD2 3.01Å; L318-H322 VanDerWaalsContact O-CD2 3.29Å; L318-H322 PolarHBondContact O-N 2.83Å; E319-H322 WeakPolarHBondContact CA-CD2 3.48Å; E319-H322 PolarHBondContact O-CD2 3.06Å; E319-H322 PolarHBondContact O-N 3.19Å; E319-H322 PolarHBondContact O-NE2 3.18Å; H320-H322 PolarHBondContact O-N 3.44Å; H322-F326 WeakPolarHBondContact O-CB 3.39Å; H322-F326 PolarHBondContact O-N 3.48Å; H322-L338 HydrophobicContact CB-CB 4.3Å; H322-Y358 AromaticContact ND1-CE2 3.85Å; H322-Y358 AromaticContact ND1-CZ 3.94Å; H322-Y358 PolarHBondContact ND1-OH 2.86Å; H322-Y358 VanDerWaalsContact ND1-OH 3.11Å
323	I	86.7	Confident	90.3	Very high	50 Å²	50	32.3 Å²	32.3	26%	0.256	19%	0.186	S	C	.	.	H	α-helix	trans	-64.9	-47.2	175.3	-65.8	170.4	0	0	0	109.9	E319 H320 L321 F326 K327	E319-I323 HydrophobicContact CG-CD1 4Å; E319-I323 WeakPolarHBondContact O-CG1 3.44Å; E319-I323 PolarHBondContact O-N 3.26Å; E319-I323 VanDerWaalsContact O-N 3.12Å; H320-I323 PolarHBondContact O-N 3.02Å; L321-I323 VanDerWaalsContact C-N 3.32Å; L321-I323 PolarHBondContact O-N 3.18Å; I323-F326 PolarHBondContact O-N 3.48Å; I323-K327 HydrophobicContact CG2-CD 4.12Å; I323-K327 WeakPolarHBondContact O-CG 3.31Å; I323-K327 PolarHBondContact O-N 3.06Å
324	A	88.3	Confident	90.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-44.3	177.5	0	0	0	0	0	111.4	W234 A237 V238 H320 L321 F326 K327 A328	W234-A324 HydrophobicContact CE3-CB 4.47Å; A237-A324 HydrophobicContact CB-CB 4.24Å; V238-A324 HydrophobicContact CG2-CB 3.77Å; H320-A324 WeakPolarHBondContact O-CB 3.39Å; H320-A324 PolarHBondContact O-N 3.38Å; L321-A324 PolarHBondContact O-N 3.32Å; A324-F326 PolarHBondContact O-N 3.33Å; A324-K327 PolarHBondContact O-N 3.07Å; A324-A328 VanDerWaalsContact O-CB 3.29Å; A324-A328 WeakPolarHBondContact O-CB 3.28Å; A324-A328 PolarHBondContact O-N 2.04Å
325	Q	91.8	Very high	89.9	Confident	8 Å²	8	31.1 Å²	31.1	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-45.2	177.1	-76	172.2	-36.6	0	0	111.9	V238 L321 K327 A328 G329 D330 G333 A334 S337	V238-Q325 HydrophobicContact CB-CG 4.47Å; V238-Q325 HydrophobicContact CG1-CG 3.8Å; V238-Q325 HydrophobicContact CG2-CB 4.32Å; V238-Q325 HydrophobicContact CG2-CG 3.79Å; L321-Q325 HydrophobicContact CD1-CG 3.98Å; L321-Q325 HydrophobicContact CG-CG 4.48Å; L321-Q325 WeakPolarHBondContact O-CB 3.23Å; L321-Q325 VanDerWaalsContact O-CG 3.25Å; L321-Q325 WeakPolarHBondContact O-CG 3.3Å; L321-Q325 PolarHBondContact O-N 2.98Å; Q325-K327 PolarHBondContact O-N 3.28Å; Q325-A328 PolarHBondContact O-N 3.4Å; Q325-G329 PolarHBondContact O-N 3.29Å; Q325-G329 VanDerWaalsContact O-N 3.13Å; Q325-D330 HydrophobicContact CB-CB 4.35Å; Q325-D330 PolarHBondContact O-N 2.62Å; Q325-G333 PolarHBondContact OE1-O 3.4Å; Q325-G333 VanDerWaalsContact OE1-O 3.06Å; Q325-A334 HydrophobicContact CB-CB 3.9Å; Q325-S337 PolarHBondContact OE1-OG 3.39Å
326	F	87	Confident	89.9	Confident	69 Å²	69	36.7 Å²	36.7	30%	0.303	20%	0.2	S	C	.	.	H	α-helix	trans	-59.9	-47.9	176.4	177.2	-102.3	0	0	0	111.5	H322 I323 A324 A328 G329 L331 A334 Y358	H322-F326 WeakPolarHBondContact O-CB 3.39Å; H322-F326 PolarHBondContact O-N 3.48Å; I323-F326 PolarHBondContact O-N 3.48Å; A324-F326 PolarHBondContact O-N 3.33Å; F326-A328 VanDerWaalsContact C-N 3.31Å; F326-A328 PolarHBondContact O-N 2.98Å; F326-G329 PolarHBondContact O-N 3.41Å; F326-G329 VanDerWaalsContact O-N 3.08Å; F326-L331 HydrophobicContact CD2-CD2 3.54Å; F326-L331 HydrophobicContact CE2-CD2 3.72Å; F326-A334 HydrophobicContact CB-CB 4.09Å; F326-Y358 HydrophobicContact CB-CE1 4.08Å; F326-Y358 HydrophobicContact CB-CE2 4.41Å; F326-Y358 HydrophobicContact CD1-CE1 4.07Å; F326-Y358 AromaticContact CD2-CD1 3.3Å; F326-Y358 HydrophobicContact CD2-CD1 3.3Å; F326-Y358 AromaticContact CD2-CE1 3.19Å; F326-Y358 HydrophobicContact CD2-CE1 3.19Å; F326-Y358 HydrophobicContact CD2-CE2 4.48Å; F326-Y358 HydrophobicContact CD2-CG 4.06Å; F326-Y358 AromaticContact CD2-CZ 3.83Å; F326-Y358 HydrophobicContact CE1-CE1 4.32Å; F326-Y358 AromaticContact CE2-CD1 3.41Å; F326-Y358 HydrophobicContact CE2-CD1 3.41Å; F326-Y358 VanDerWaalsContact CE2-CD1 3.41Å; F326-Y358 AromaticContact CE2-CE1 3.52Å; F326-Y358 HydrophobicContact CE2-CE1 3.52Å; F326-Y358 HydrophobicContact CE2-CG 4.4Å; F326-Y358 HydrophobicContact CG-CD1 4.11Å; F326-Y358 AromaticContact CG-CE1 3.5Å; F326-Y358 HydrophobicContact CG-CE1 3.5Å; F326-Y358 VanDerWaalsContact CG-CE1 3.5Å; F326-Y358 AromaticContact CG-CZ 3.81Å; F326-Y358 HydrophobicContact CZ-CD1 4.27Å; F326-Y358 HydrophobicContact CZ-CE1 4.08Å
327	K	85.9	Confident	90	Very high	107 Å²	107	35.9 Å²	35.9	47%	0.465	20%	0.195	S	C	.	.	H	α-helix	trans	-68.6	-27.8	179.6	-69.7	179.9	-179.2	173.9	0	113.5	W234 I323 A324 Q325 G329	W234-K327 HydrophobicContact CB-CB 4.25Å; W234-K327 HydrophobicContact CD2-CB 3.56Å; W234-K327 HydrophobicContact CD2-CD 3.69Å; W234-K327 HydrophobicContact CD2-CG 4.3Å; W234-K327 HydrophobicContact CE3-CB 3.95Å; W234-K327 HydrophobicContact CE3-CD 3.65Å; W234-K327 HydrophobicContact CE3-CG 4.45Å; W234-K327 HydrophobicContact CG-CB 3.66Å; W234-K327 HydrophobicContact CH2-CD 3.46Å; W234-K327 VanDerWaalsContact CH2-CD 3.46Å; W234-K327 HydrophobicContact CZ2-CD 3.45Å; W234-K327 VanDerWaalsContact CZ2-CD 3.45Å; W234-K327 HydrophobicContact CZ3-CD 3.53Å; I323-K327 HydrophobicContact CG2-CD 4.12Å; I323-K327 WeakPolarHBondContact O-CG 3.31Å; I323-K327 PolarHBondContact O-N 3.06Å; A324-K327 PolarHBondContact O-N 3.07Å; Q325-K327 PolarHBondContact O-N 3.28Å; K327-G329 VanDerWaalsContact C-N 3.28Å
328	A	90.7	Very high	89.8	Confident	42 Å²	42	35.9 Å²	35.9	35%	0.347	20%	0.195	S	C	.	.	H	α-helix	trans	-78	-9.8	172.4	0	0	0	0	0	113.4	W234 V238 A324 Q325 F326	W234-A328 HydrophobicContact CB-CB 3.9Å; V238-A328 HydrophobicContact CG2-CB 4.02Å; A324-A328 VanDerWaalsContact O-CB 3.29Å; A324-A328 WeakPolarHBondContact O-CB 3.28Å; A324-A328 PolarHBondContact O-N 2.04Å; Q325-A328 PolarHBondContact O-N 3.4Å; F326-A328 VanDerWaalsContact C-N 3.31Å; F326-A328 PolarHBondContact O-N 2.98Å
329	G	87.5	Confident	89.9	Confident	57 Å²	57	38 Å²	38	59%	0.588	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.8	6	-178	0	0	0	0	0	115.1	Q325 F326 K327 L331	Q325-G329 PolarHBondContact O-N 3.29Å; Q325-G329 VanDerWaalsContact O-N 3.13Å; F326-G329 PolarHBondContact O-N 3.41Å; F326-G329 VanDerWaalsContact O-N 3.08Å; K327-G329 VanDerWaalsContact C-N 3.28Å; G329-L331 PolarHBondContact O-N 3.18Å; G329-L331 VanDerWaalsContact O-N 3.15Å
330	D	89.9	Confident	90.2	Very high	72 Å²	72	34 Å²	34	39%	0.385	18%	0.184	S	C	.	.			trans	-84.6	76.7	172.6	-179.6	16.2	0	0	0	110.8	Q325 G332 G333 A334	Q325-D330 HydrophobicContact CB-CB 4.35Å; Q325-D330 PolarHBondContact O-N 2.62Å; D330-G332 VanDerWaalsContact C-N 3.32Å; D330-G332 PolarHBondContact O-N 3.45Å; D330-G333 PolarHBondContact O-N 3.49Å; D330-G333 PolarHBondContact OD1-N 3.02Å; D330-G333 WeakPolarHBondContact OD2-CA 3.48Å; D330-A334 WeakPolarHBondContact O-CB 3.45Å; D330-A334 PolarHBondContact O-N 3.39Å
331	L	87	Confident	90.3	Very high	35 Å²	35	32.1 Å²	32.1	18%	0.183	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-35.9	-180	-67.4	172.4	0	0	0	112.6	F326 G329 A334 V335 T361 L362	F326-L331 HydrophobicContact CD2-CD2 3.54Å; F326-L331 HydrophobicContact CE2-CD2 3.72Å; G329-L331 PolarHBondContact O-N 3.18Å; G329-L331 VanDerWaalsContact O-N 3.15Å; L331-A334 PolarHBondContact O-N 3.1Å; L331-V335 WeakPolarHBondContact O-CG2 3.46Å; L331-V335 PolarHBondContact O-N 3.28Å; L331-T361 HydrophobicContact CD1-CG2 4.13Å; L331-L362 HydrophobicContact CB-CD1 4.11Å; L331-L362 HydrophobicContact CB-CD2 3.82Å; L331-L362 HydrophobicContact CB-CG 4Å; L331-L362 HydrophobicContact CD1-CD2 3.91Å; L331-L362 HydrophobicContact CD1-CG 3.94Å
332	G	87.9	Confident	90.3	Very high	25 Å²	25	32.7 Å²	32.7	26%	0.258	18%	0.179	S	C	.	.	H	α-helix	trans	-67.2	-42.2	178.9	0	0	0	0	0	112.4	D330 R336	D330-G332 VanDerWaalsContact C-N 3.32Å; D330-G332 PolarHBondContact O-N 3.45Å; G332-R336 PolarHBondContact O-N 3.1Å
333	G	90.5	Very high	90.6	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-48.9	170.6	0	0	0	0	0	111.9	Q325 D330 V335 R336 S337	Q325-G333 PolarHBondContact OE1-O 3.4Å; Q325-G333 VanDerWaalsContact OE1-O 3.06Å; D330-G333 PolarHBondContact O-N 3.49Å; D330-G333 PolarHBondContact OD1-N 3.02Å; D330-G333 WeakPolarHBondContact OD2-CA 3.48Å; G333-V335 PolarHBondContact O-N 2.9Å; G333-R336 WeakPolarHBondContact O-CB 3.19Å; G333-R336 PolarHBondContact O-N 3.19Å; G333-S337 PolarHBondContact O-N 3.28Å; G333-S337 PolarHBondContact O-OG 3.14Å
334	A	89.7	Confident	91	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-46.4	-179.6	0	0	0	0	0	112.3	Q325 F326 D330 L331 R336 S337 L338 Y358	Q325-A334 HydrophobicContact CB-CB 3.9Å; F326-A334 HydrophobicContact CB-CB 4.09Å; D330-A334 WeakPolarHBondContact O-CB 3.45Å; D330-A334 PolarHBondContact O-N 3.39Å; L331-A334 PolarHBondContact O-N 3.1Å; A334-R336 VanDerWaalsContact C-N 3.33Å; A334-R336 PolarHBondContact O-N 2.99Å; A334-S337 PolarHBondContact O-N 2.93Å; A334-L338 WeakPolarHBondContact O-CB 3.46Å; A334-L338 PolarHBondContact O-N 3.04Å; A334-Y358 HydrophobicContact CB-CD2 3.97Å; A334-Y358 HydrophobicContact CB-CE2 3.89Å
335	V	90.9	Very high	91.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-39.6	176.1	169.2	0	0	0	0	111.7	L331 G333 R339 L355 Y358 L362	L331-V335 WeakPolarHBondContact O-CG2 3.46Å; L331-V335 PolarHBondContact O-N 3.28Å; G333-V335 PolarHBondContact O-N 2.9Å; V335-R339 VanDerWaalsContact O-CB 3.31Å; V335-R339 WeakPolarHBondContact O-CB 3.38Å; V335-R339 VanDerWaalsContact O-CG 3.28Å; V335-R339 WeakPolarHBondContact O-CG 3.49Å; V335-R339 PolarHBondContact O-N 3.02Å; V335-L355 HydrophobicContact CG1-CD1 4.02Å; V335-Y358 HydrophobicContact CG2-CD2 4.38Å; V335-L362 HydrophobicContact CG2-CD1 4.15Å
336	R	92.8	Very high	91.2	Very high	124 Å²	124	40.4 Å²	40.4	47%	0.468	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-46.9	177.6	-174.1	-176.6	-58.1	132.7	6.7	111.8	G332 G333 A334 S340 T371	G332-R336 PolarHBondContact O-N 3.1Å; G333-R336 WeakPolarHBondContact O-CB 3.19Å; G333-R336 PolarHBondContact O-N 3.19Å; A334-R336 VanDerWaalsContact C-N 3.33Å; A334-R336 PolarHBondContact O-N 2.99Å; R336-S340 PolarHBondContact O-N 3.28Å; R336-S340 PolarHBondContact O-OG 3.42Å; R336-T371 HydrophobicContact CB-CG2 3.75Å; R336-T371 HydrophobicContact CG-CG2 4.28Å
337	S	92.3	Very high	91.3	Very high	11 Å²	11	42.2 Å²	42.2	8%	0.077	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-45	179.9	-60.3	0	0	0	0	110.7	Q325 G333 A334 R339 S340 L341	Q325-S337 PolarHBondContact OE1-OG 3.39Å; G333-S337 PolarHBondContact O-N 3.28Å; G333-S337 PolarHBondContact O-OG 3.14Å; A334-S337 PolarHBondContact O-N 2.93Å; S337-R339 PolarHBondContact O-N 3.35Å; S337-S340 CarbonylContact O-C 3.56Å; S337-S340 WeakPolarHBondContact O-CA 3.2Å; S337-S340 VanDerWaalsContact O-CB 3.27Å; S337-S340 WeakPolarHBondContact O-CB 3.41Å; S337-S340 PolarHBondContact O-N 3.41Å; S337-L341 PolarHBondContact O-N 2.97Å
338	L	91.1	Very high	91.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-41.1	177.4	-172.9	56.9	0	0	0	112.9	H322 A334 S340 L341 L342 S351 N354 L355 Y358	H322-L338 HydrophobicContact CB-CB 4.3Å; A334-L338 WeakPolarHBondContact O-CB 3.46Å; A334-L338 PolarHBondContact O-N 3.04Å; L338-S340 PolarHBondContact O-N 2.96Å; L338-L341 HydrophobicContact CD1-CD2 4.24Å; L338-L341 WeakPolarHBondContact O-CB 3.48Å; L338-L341 PolarHBondContact O-N 3.49Å; L338-L342 WeakPolarHBondContact O-CG 3.5Å; L338-L342 PolarHBondContact O-N 3.21Å; L338-S351 WeakPolarHBondContact CD2-O 3.2Å; L338-N354 HydrophobicContact CD2-CB 3.7Å; L338-L355 HydrophobicContact CD2-CB 3.79Å; L338-L355 HydrophobicContact CD2-CD1 4.27Å; L338-L355 VanDerWaalsContact CD2-N 3.33Å; L338-L355 HydrophobicContact CG-CB 4.41Å; L338-Y358 HydrophobicContact CD2-CD2 3.81Å; L338-Y358 HydrophobicContact CD2-CE2 3.66Å
339	R	93.8	Very high	91.2	Very high	51 Å²	51	45.9 Å²	45.9	19%	0.192	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-29.4	171.2	-78.1	176.4	167.8	158	-1.8	112.8	V335 S337 L355 A368 H369 T371 P373	V335-R339 VanDerWaalsContact O-CB 3.31Å; V335-R339 WeakPolarHBondContact O-CB 3.38Å; V335-R339 VanDerWaalsContact O-CG 3.28Å; V335-R339 WeakPolarHBondContact O-CG 3.49Å; V335-R339 PolarHBondContact O-N 3.02Å; S337-R339 PolarHBondContact O-N 3.35Å; R339-L355 HydrophobicContact CG-CD1 3.98Å; R339-L355 HydrophobicContact CG-CD2 4.36Å; R339-A368 PolarHBondContact NH1-O 2.86Å; R339-H369 PolarHBondContact NH1-O 3.35Å; R339-H369 PolarHBondContact NH2-O 3.33Å; R339-T371 WeakPolarHBondContact CD-O 3.42Å; R339-T371 VanDerWaalsContact NH1-C 3.33Å; R339-T371 VanDerWaalsContact NH1-N 3.17Å; R339-T371 PolarHBondContact NH1-O 3.48Å; R339-P373 HydrophobicContact CB-CB 4.2Å
340	S	95.5	Very high	90.9	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-74.3	-38.5	175.4	-51.7	0	0	0	0	111.1	R336 S337 L338 L343 F344 S374	R336-S340 PolarHBondContact O-N 3.28Å; R336-S340 PolarHBondContact O-OG 3.42Å; S337-S340 CarbonylContact O-C 3.56Å; S337-S340 WeakPolarHBondContact O-CA 3.2Å; S337-S340 VanDerWaalsContact O-CB 3.27Å; S337-S340 WeakPolarHBondContact O-CB 3.41Å; S337-S340 PolarHBondContact O-N 3.41Å; L338-S340 PolarHBondContact O-N 2.96Å; S340-L343 VanDerWaalsContact O-CB 3.31Å; S340-L343 WeakPolarHBondContact O-CB 3.4Å; S340-L343 PolarHBondContact O-N 3.04Å; S340-F344 WeakPolarHBondContact O-CD2 3.31Å; S340-S374 PolarHBondContact OG-N 2.94Å
341	L	93.3	Very high	90.7	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-42.6	173	-178.3	59.9	0	0	0	111.8	P315 L318 E319 S337 L338 L343 F344 Y345	P315-L341 HydrophobicContact CB-CD1 3.81Å; P315-L341 WeakPolarHBondContact O-CD1 3.24Å; L318-L341 HydrophobicContact CB-CB 4.39Å; L318-L341 HydrophobicContact CB-CD1 4.36Å; E319-L341 HydrophobicContact CB-CD2 4.15Å; S337-L341 PolarHBondContact O-N 2.97Å; L338-L341 HydrophobicContact CD1-CD2 4.24Å; L338-L341 WeakPolarHBondContact O-CB 3.48Å; L338-L341 PolarHBondContact O-N 3.49Å; L341-L343 PolarHBondContact O-N 3.28Å; L341-F344 WeakPolarHBondContact O-CB 3.25Å; L341-F344 PolarHBondContact O-N 3.2Å; L341-Y345 PolarHBondContact O-N 2.04Å
342	L	94.5	Very high	90.7	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.11	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.6	175.7	-74.2	168.8	0	0	0	114.4	L338 F344 Y345 P346 L352 L355	L338-L342 WeakPolarHBondContact O-CG 3.5Å; L338-L342 PolarHBondContact O-N 3.21Å; L342-F344 VanDerWaalsContact C-N 3.31Å; L342-Y345 WeakPolarHBondContact CD2-O 3.13Å; L342-Y345 CarbonylContact O-C 3.58Å; L342-P346 VanDerWaalsContact O-CA 3.24Å; L342-P346 WeakPolarHBondContact O-CA 2.98Å; L342-P346 WeakPolarHBondContact O-CG 3.5Å; L342-L352 HydrophobicContact CD1-CD2 4.15Å; L342-L352 HydrophobicContact CD2-CD2 4.05Å; L342-L352 HydrophobicContact CD2-CG 4.07Å; L342-L355 HydrophobicContact CD1-CD2 3.81Å
343	L	95.9	Very high	90.6	Very high	60 Å²	60	49.7 Å²	49.7	31%	0.314	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-26.2	170	-62.5	176.9	0	0	0	112.5	S340 L341 P373 I377 A378 V381	S340-L343 VanDerWaalsContact O-CB 3.31Å; S340-L343 WeakPolarHBondContact O-CB 3.4Å; S340-L343 PolarHBondContact O-N 3.04Å; L341-L343 PolarHBondContact O-N 3.28Å; L343-P373 HydrophobicContact CD1-CB 3.86Å; L343-P373 HydrophobicContact CD1-CG 4.14Å; L343-P373 HydrophobicContact CD2-CG 4.43Å; L343-P373 HydrophobicContact CG-CB 4.34Å; L343-I377 HydrophobicContact CD1-CG2 4.24Å; L343-A378 HydrophobicContact CD1-CB 3.92Å; L343-V381 HydrophobicContact CB-CG1 4.43Å; L343-V381 HydrophobicContact CB-CG2 4.1Å
344	F	94.3	Very high	90.3	Very high	4 Å²	4	52 Å²	52	2%	0.018	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-49.5	174.9	-61.8	-90.4	0	0	0	110.2	L314 P315 L318 S340 L341 L342 P346 I377 Y380 V381 W408	L314-F344 HydrophobicContact CD2-CZ 3.87Å; L314-F344 HydrophobicContact CG-CZ 4.26Å; P315-F344 HydrophobicContact CG-CB 4.35Å; P315-F344 HydrophobicContact CG-CD1 3.85Å; P315-F344 HydrophobicContact CG-CD2 4.38Å; P315-F344 HydrophobicContact CG-CE1 4.2Å; P315-F344 HydrophobicContact CG-CG 3.95Å; L318-F344 HydrophobicContact CD1-CD2 4.32Å; L318-F344 HydrophobicContact CD1-CE2 3.63Å; L318-F344 HydrophobicContact CD1-CZ 4.48Å; S340-F344 WeakPolarHBondContact O-CD2 3.31Å; L341-F344 WeakPolarHBondContact O-CB 3.25Å; L341-F344 PolarHBondContact O-N 3.2Å; L342-F344 VanDerWaalsContact C-N 3.31Å; F344-P346 WeakPolarHBondContact O-CD 3.2Å; F344-I377 HydrophobicContact CE2-CG2 3.54Å; F344-I377 HydrophobicContact CZ-CG2 3.97Å; F344-Y380 HydrophobicContact CE1-CD1 4.18Å; F344-Y380 AromaticContact CE1-CE1 3.96Å; F344-Y380 HydrophobicContact CE1-CE1 3.96Å; F344-Y380 HydrophobicContact CZ-CD1 4.14Å; F344-Y380 HydrophobicContact CZ-CE1 4.27Å; F344-V381 HydrophobicContact CD1-CG2 4.1Å; F344-V381 HydrophobicContact CD2-CG2 4.35Å; F344-V381 HydrophobicContact CE1-CG2 3.74Å; F344-V381 HydrophobicContact CE2-CG2 4Å; F344-V381 HydrophobicContact CG-CG2 4.4Å; F344-V381 HydrophobicContact CZ-CG2 3.68Å; F344-W408 HydrophobicContact CB-CB 4.01Å; F344-W408 HydrophobicContact CB-CD2 4.43Å; F344-W408 HydrophobicContact CB-CG 4.06Å; F344-W408 AromaticContact CD1-CD1 3.69Å; F344-W408 AromaticContact CD1-CD2 3.54Å; F344-W408 HydrophobicContact CD1-CD2 3.54Å; F344-W408 AromaticContact CD1-CE2 3.5Å; F344-W408 HydrophobicContact CD1-CE3 4.09Å; F344-W408 AromaticContact CD1-CG 3.71Å; F344-W408 HydrophobicContact CD1-CG 3.71Å; F344-W408 HydrophobicContact CD1-CZ2 4.09Å; F344-W408 AromaticContact CD1-NE1 3.57Å; F344-W408 HydrophobicContact CE1-CD2 4.31Å; F344-W408 AromaticContact CE1-CE2 3.83Å; F344-W408 HydrophobicContact CE1-CZ2 4.03Å; F344-W408 AromaticContact CE1-NE1 3.92Å; F344-W408 HydrophobicContact CG-CD2 4.45Å; F344-W408 HydrophobicContact CG-CG 4.39Å; F344-W408 WeakPolarHBondContact O-CB 3.44Å
345	Y	92.1	Very high	90.1	Very high	70 Å²	70	53.3 Å²	53.3	28%	0.275	28%	0.278	S	S	.	.			trans	-124.1	81.5	-178.4	-63.7	-69.3	0	0	0	112	D312 L341 L342 S347 D348 L407 W408	D312-Y345 PolarHBondContact OD1-OH 3.27Å; D312-Y345 VanDerWaalsContact OD1-OH 3.08Å; D312-Y345 WeakPolarHBondContact OD2-CE2 3.25Å; D312-Y345 PolarHBondContact OD2-OH 3.22Å; L341-Y345 PolarHBondContact O-N 2.04Å; L342-Y345 WeakPolarHBondContact CD2-O 3.13Å; L342-Y345 CarbonylContact O-C 3.58Å; Y345-S347 PolarHBondContact O-N 2.9Å; Y345-S347 VanDerWaalsContact O-N 3.16Å; Y345-D348 PolarHBondContact O-N 2.81Å; Y345-L407 VanDerWaalsContact OH-CB 3.25Å; Y345-L407 WeakPolarHBondContact OH-CB 3.43Å; Y345-W408 HydrophobicContact CD1-CB 4.12Å; Y345-W408 HydrophobicContact CD2-CB 4.48Å; Y345-W408 HydrophobicContact CE1-CB 3.58Å; Y345-W408 HydrophobicContact CE2-CB 3.99Å; Y345-W408 PolarHBondContact OH-N 2.91Å
346	P	92.4	Very high	89.9	Confident	87 Å²	87	59.4 Å²	59.4	57%	0.565	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.1	-174.6	-23.2	33.3	0	0	0	115	L342 F344	L342-P346 VanDerWaalsContact O-CA 3.24Å; L342-P346 WeakPolarHBondContact O-CA 2.98Å; L342-P346 WeakPolarHBondContact O-CG 3.5Å; F344-P346 WeakPolarHBondContact O-CD 3.2Å
347	S	89.4	Confident	89.5	Confident	107 Å²	107	57.2 Å²	57.2	75%	0.748	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	8.1	-176.4	-57.3	0	0	0	0	113.1	Y345 K349	Y345-S347 PolarHBondContact O-N 2.9Å; Y345-S347 VanDerWaalsContact O-N 3.16Å; S347-K349 PolarHBondContact O-N 2.85Å
348	D	86.6	Confident	89.1	Confident	56 Å²	56	57 Å²	57	30%	0.299	30%	0.302	S	S	.	.			trans	-67.9	120.3	-179.9	179.2	50.1	0	0	0	111.3	Y345 S351 L352	Y345-D348 PolarHBondContact O-N 2.81Å; D348-S351 WeakPolarHBondContact OD2-CB 3.26Å; D348-S351 PolarHBondContact OD2-N 3.46Å; D348-S351 PolarHBondContact OD2-OG 2.85Å; D348-L352 WeakPolarHBondContact O-CB 3.38Å; D348-L352 WeakPolarHBondContact O-CD1 3.33Å; D348-L352 WeakPolarHBondContact O-CG 3.3Å; D348-L352 PolarHBondContact O-N 3.01Å; D348-L352 VanDerWaalsContact O-N 3.09Å
349	K	88	Confident	88.5	Confident	171 Å²	171	58.1 Å²	58.1	74%	0.743	31%	0.308	S	S	*	.	H	α-helix	trans	-71.6	-37.4	-171.1	-69.8	-178	179.7	177.8	0	112	S347 L352 S353	S347-K349 PolarHBondContact O-N 2.85Å; K349-L352 PolarHBondContact O-N 2.63Å; K349-S353 WeakPolarHBondContact O-CB 3.29Å; K349-S353 PolarHBondContact O-N 2.94Å
350	D	81.4	Confident	87.9	Confident	119 Å²	119	62.9 Å²	62.9	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-71.6	-43.2	-176	-64.1	-23.2	0	0	0	109.7	L352 S353 N354	D350-L352 PolarHBondContact O-N 2.81Å; D350-S353 PolarHBondContact O-N 2.59Å; D350-N354 WeakPolarHBondContact O-CB 3.46Å; D350-N354 VanDerWaalsContact O-CG 3.28Å; D350-N354 PolarHBondContact O-N 3.39Å; D350-N354 PolarHBondContact O-ND2 3.34Å
351	S	84.6	Confident	87.1	Confident	9 Å²	9	66.6 Å²	66.6	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-62.2	-41.3	172.8	-63.9	0	0	0	0	112.9	L338 D348 L355	L338-S351 WeakPolarHBondContact CD2-O 3.2Å; D348-S351 WeakPolarHBondContact OD2-CB 3.26Å; D348-S351 PolarHBondContact OD2-N 3.46Å; D348-S351 PolarHBondContact OD2-OG 2.85Å; S351-L355 WeakPolarHBondContact O-CB 3.05Å; S351-L355 PolarHBondContact O-N 3.09Å
352	L	87.8	Confident	86	Confident	72 Å²	72	67.8 Å²	67.8	38%	0.377	36%	0.362	S	S	.	.	H	α-helix	trans	-65.5	-42.8	176.2	-72.9	170.6	0	0	0	111.8	L342 D348 K349 D350 L355 E356	L342-L352 HydrophobicContact CD1-CD2 4.15Å; L342-L352 HydrophobicContact CD2-CD2 4.05Å; L342-L352 HydrophobicContact CD2-CG 4.07Å; D348-L352 WeakPolarHBondContact O-CB 3.38Å; D348-L352 WeakPolarHBondContact O-CD1 3.33Å; D348-L352 WeakPolarHBondContact O-CG 3.3Å; D348-L352 PolarHBondContact O-N 3.01Å; D348-L352 VanDerWaalsContact O-N 3.09Å; K349-L352 PolarHBondContact O-N 2.63Å; D350-L352 PolarHBondContact O-N 2.81Å; L352-L355 WeakPolarHBondContact O-CB 3.44Å; L352-L355 PolarHBondContact O-N 2.78Å; L352-E356 PolarHBondContact O-N 3.15Å; L352-E356 VanDerWaalsContact O-N 3.07Å
353	S	85.1	Confident	84.1	Confident	69 Å²	69	70.1 Å²	70.1	48%	0.483	39%	0.39	S	S	.	.	H	α-helix	trans	-65.1	-41.9	176.9	-174.3	0	0	0	0	112.1	K349 D350 L355 E356 L357	K349-S353 WeakPolarHBondContact O-CB 3.29Å; K349-S353 PolarHBondContact O-N 2.94Å; D350-S353 PolarHBondContact O-N 2.59Å; S353-L355 VanDerWaalsContact C-N 3.28Å; S353-L355 PolarHBondContact O-N 3.46Å; S353-E356 PolarHBondContact O-N 2.84Å; S353-L357 WeakPolarHBondContact O-CB 3.2Å; S353-L357 PolarHBondContact O-N 2.89Å
354	N	84.6	Confident	82.1	Confident	50 Å²	50	70 Å²	70	27%	0.267	40%	0.403	S	S	.	.	H	α-helix	trans	-62.2	-37.2	173.9	-76.1	-30.4	0	0	0	111.6	L338 D350 L357 Y358	L338-N354 HydrophobicContact CD2-CB 3.7Å; D350-N354 WeakPolarHBondContact O-CB 3.46Å; D350-N354 VanDerWaalsContact O-CG 3.28Å; D350-N354 PolarHBondContact O-N 3.39Å; D350-N354 PolarHBondContact O-ND2 3.34Å; N354-L357 PolarHBondContact O-N 3Å; N354-Y358 HydrophobicContact CB-CE1 4.4Å; N354-Y358 HydrophobicContact CB-CE2 4.5Å; N354-Y358 WeakPolarHBondContact O-CB 2.99Å; N354-Y358 WeakPolarHBondContact O-CD1 3.4Å; N354-Y358 PolarHBondContact O-N 3.37Å
355	L	86.2	Confident	80.2	Confident	28 Å²	28	73.8 Å²	73.8	15%	0.147	42%	0.424	C	S	.	.	H	α-helix	trans	-65.9	-42.7	178.4	-176.1	66.6	0	0	0	111.2	V335 L338 R339 L342 S351 L352 S353 T359	V335-L355 HydrophobicContact CG1-CD1 4.02Å; L338-L355 HydrophobicContact CD2-CB 3.79Å; L338-L355 HydrophobicContact CD2-CD1 4.27Å; L338-L355 VanDerWaalsContact CD2-N 3.33Å; L338-L355 HydrophobicContact CG-CB 4.41Å; R339-L355 HydrophobicContact CG-CD1 3.98Å; R339-L355 HydrophobicContact CG-CD2 4.36Å; L342-L355 HydrophobicContact CD1-CD2 3.81Å; S351-L355 WeakPolarHBondContact O-CB 3.05Å; S351-L355 PolarHBondContact O-N 3.09Å; L352-L355 WeakPolarHBondContact O-CB 3.44Å; L352-L355 PolarHBondContact O-N 2.78Å; S353-L355 VanDerWaalsContact C-N 3.28Å; S353-L355 PolarHBondContact O-N 3.46Å; L355-T359 VanDerWaalsContact O-CB 3.24Å; L355-T359 WeakPolarHBondContact O-CB 3.48Å; L355-T359 PolarHBondContact O-N 2.93Å; L355-T359 VanDerWaalsContact O-N 3.08Å; L355-T359 PolarHBondContact O-OG1 2.92Å
356	E	85.5	Confident	78.3	Confident	127 Å²	127	76 Å²	76	59%	0.593	45%	0.445	S	S	*	.	H	α-helix	trans	-59.6	-50.6	172.6	-71.2	176.2	176.8	0	0	110.6	L352 S353 Y358 T359 E360	L352-E356 PolarHBondContact O-N 3.15Å; L352-E356 VanDerWaalsContact O-N 3.07Å; S353-E356 PolarHBondContact O-N 2.84Å; E356-Y358 PolarHBondContact O-N 2.82Å; E356-T359 PolarHBondContact O-N 2.96Å; E356-E360 WeakPolarHBondContact O-CG 3.4Å; E356-E360 PolarHBondContact O-N 3.03Å
357	L	84.3	Confident	76.4	Confident	79 Å²	79	79.5 Å²	79.5	41%	0.414	45%	0.454	S	S	.	.	H	α-helix	trans	-55.6	-49.2	178.5	176.8	66.5	0	0	0	112.7	S353 N354 T359 E360 T361	S353-L357 WeakPolarHBondContact O-CB 3.2Å; S353-L357 PolarHBondContact O-N 2.89Å; N354-L357 PolarHBondContact O-N 3Å; L357-T359 VanDerWaalsContact C-N 3.29Å; L357-T359 PolarHBondContact O-N 2.77Å; L357-E360 PolarHBondContact O-N 3.05Å; L357-T361 WeakPolarHBondContact O-CB 3.45Å; L357-T361 PolarHBondContact O-N 3.46Å; L357-T361 PolarHBondContact O-OG1 3.03Å
358	Y	84.8	Confident	74.7	Confident	7 Å²	7	74.7 Å²	74.7	3%	0.027	42%	0.421	C	S	.	.	H	α-helix	trans	-63.6	-41	-179	-62.9	-6.2	0	0	0	110.6	H322 F326 A334 V335 L338 N354 E356 T361 L362	H322-Y358 AromaticContact ND1-CE2 3.85Å; H322-Y358 AromaticContact ND1-CZ 3.94Å; H322-Y358 PolarHBondContact ND1-OH 2.86Å; H322-Y358 VanDerWaalsContact ND1-OH 3.11Å; F326-Y358 HydrophobicContact CB-CE1 4.08Å; F326-Y358 HydrophobicContact CB-CE2 4.41Å; F326-Y358 HydrophobicContact CD1-CE1 4.07Å; F326-Y358 AromaticContact CD2-CD1 3.3Å; F326-Y358 HydrophobicContact CD2-CD1 3.3Å; F326-Y358 AromaticContact CD2-CE1 3.19Å; F326-Y358 HydrophobicContact CD2-CE1 3.19Å; F326-Y358 HydrophobicContact CD2-CE2 4.48Å; F326-Y358 HydrophobicContact CD2-CG 4.06Å; F326-Y358 AromaticContact CD2-CZ 3.83Å; F326-Y358 HydrophobicContact CE1-CE1 4.32Å; F326-Y358 AromaticContact CE2-CD1 3.41Å; F326-Y358 HydrophobicContact CE2-CD1 3.41Å; F326-Y358 VanDerWaalsContact CE2-CD1 3.41Å; F326-Y358 AromaticContact CE2-CE1 3.52Å; F326-Y358 HydrophobicContact CE2-CE1 3.52Å; F326-Y358 HydrophobicContact CE2-CG 4.4Å; F326-Y358 HydrophobicContact CG-CD1 4.11Å; F326-Y358 AromaticContact CG-CE1 3.5Å; F326-Y358 HydrophobicContact CG-CE1 3.5Å; F326-Y358 VanDerWaalsContact CG-CE1 3.5Å; F326-Y358 AromaticContact CG-CZ 3.81Å; F326-Y358 HydrophobicContact CZ-CD1 4.27Å; F326-Y358 HydrophobicContact CZ-CE1 4.08Å; A334-Y358 HydrophobicContact CB-CD2 3.97Å; A334-Y358 HydrophobicContact CB-CE2 3.89Å; V335-Y358 HydrophobicContact CG2-CD2 4.38Å; L338-Y358 HydrophobicContact CD2-CD2 3.81Å; L338-Y358 HydrophobicContact CD2-CE2 3.66Å; N354-Y358 HydrophobicContact CB-CE1 4.4Å; N354-Y358 HydrophobicContact CB-CE2 4.5Å; N354-Y358 WeakPolarHBondContact O-CB 2.99Å; N354-Y358 WeakPolarHBondContact O-CD1 3.4Å; N354-Y358 PolarHBondContact O-N 3.37Å; E356-Y358 PolarHBondContact O-N 2.82Å; Y358-T361 PolarHBondContact O-N 3Å; Y358-L362 WeakPolarHBondContact O-CD1 3.15Å; Y358-L362 WeakPolarHBondContact O-CG 3.29Å; Y358-L362 PolarHBondContact O-N 3.41Å
359	T	79.3	Confident	73.2	Confident	22 Å²	22	76.7 Å²	76.7	14%	0.135	43%	0.428	C	S	.	.	H	α-helix	trans	-68.4	-38.7	-179.5	-56.8	0	0	0	0	112.2	L355 E356 L357 L362 H369	L355-T359 VanDerWaalsContact O-CB 3.24Å; L355-T359 WeakPolarHBondContact O-CB 3.48Å; L355-T359 PolarHBondContact O-N 2.93Å; L355-T359 VanDerWaalsContact O-N 3.08Å; L355-T359 PolarHBondContact O-OG1 2.92Å; E356-T359 PolarHBondContact O-N 2.96Å; L357-T359 VanDerWaalsContact C-N 3.29Å; L357-T359 PolarHBondContact O-N 2.77Å; T359-L362 PolarHBondContact O-N 3.37Å; T359-H369 WeakPolarHBondContact CG2-CE1 3.27Å; T359-H369 VanDerWaalsContact CG2-ND1 3.32Å; T359-H369 WeakPolarHBondContact CG2-ND1 3.29Å
360	E	80.9	Confident	72	Confident	152 Å²	152	71.2 Å²	71.2	71%	0.71	42%	0.42	S	S	*	.	H	α-helix	trans	-67.8	-39.7	175.2	-73.4	-178.3	173.4	0	0	112	E356 L357 L362 G363	E356-E360 WeakPolarHBondContact O-CG 3.4Å; E356-E360 PolarHBondContact O-N 3.03Å; L357-E360 PolarHBondContact O-N 3.05Å; E360-L362 PolarHBondContact O-N 2.88Å; E360-G363 PolarHBondContact O-N 3.44Å; E360-G363 VanDerWaalsContact O-N 3.1Å
361	T	77.2	Confident	71.8	Confident	79 Å²	79	66.6 Å²	66.6	49%	0.485	40%	0.396	S	S	.	.	H	α-helix	trans	-61.9	-27.1	178	-53.6	0	0	0	0	112.2	L331 L357 Y358 G363	L331-T361 HydrophobicContact CD1-CG2 4.13Å; L357-T361 WeakPolarHBondContact O-CB 3.45Å; L357-T361 PolarHBondContact O-N 3.46Å; L357-T361 PolarHBondContact O-OG1 3.03Å; Y358-T361 PolarHBondContact O-N 3Å; T361-G363 VanDerWaalsContact C-N 3.26Å; T361-G363 PolarHBondContact O-N 3.33Å
362	L	70.4	Confident	71.9	Confident	35 Å²	35	74.3 Å²	74.3	18%	0.183	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.5	177.4	-79.6	154.1	0	0	0	114.4	L331 V335 Y358 T359 E360 G364 D365 A368	L331-L362 HydrophobicContact CB-CD1 4.11Å; L331-L362 HydrophobicContact CB-CD2 3.82Å; L331-L362 HydrophobicContact CB-CG 4Å; L331-L362 HydrophobicContact CD1-CD2 3.91Å; L331-L362 HydrophobicContact CD1-CG 3.94Å; V335-L362 HydrophobicContact CG2-CD1 4.15Å; Y358-L362 WeakPolarHBondContact O-CD1 3.15Å; Y358-L362 WeakPolarHBondContact O-CG 3.29Å; Y358-L362 PolarHBondContact O-N 3.41Å; T359-L362 PolarHBondContact O-N 3.37Å; E360-L362 PolarHBondContact O-N 2.88Å; L362-G364 PolarHBondContact O-N 3.17Å; L362-D365 HydrophobicContact CB-CB 4.44Å; L362-D365 WeakPolarHBondContact O-CB 3.28Å; L362-D365 PolarHBondContact O-N 2.91Å; L362-A368 HydrophobicContact CB-CB 4.5Å; L362-A368 HydrophobicContact CD1-CB 3.26Å; L362-A368 HydrophobicContact CD2-CB 4.23Å; L362-A368 HydrophobicContact CG-CB 4.18Å
363	G	55.7	Low	72.1	Confident	69 Å²	69	72.9 Å²	72.9	71%	0.711	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	44.4	165.8	0	0	0	0	0	115.4	E360 T361	E360-G363 PolarHBondContact O-N 3.44Å; E360-G363 VanDerWaalsContact O-N 3.1Å; T361-G363 VanDerWaalsContact C-N 3.26Å; T361-G363 PolarHBondContact O-N 3.33Å
364	G	54.5	Low	72.5	Confident	57 Å²	57	71.2 Å²	71.2	59%	0.588	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	13.6	176	0	0	0	0	0	115.1	L362 T366	L362-G364 PolarHBondContact O-N 3.17Å; G364-T366 PolarHBondContact O-N 3.49Å
365	D	52.9	Low	72.9	Confident	85 Å²	85	74.9 Å²	74.9	46%	0.455	43%	0.427	S	S	.	.			trans	-67.3	102.5	174.3	-151.6	-11.7	0	0	0	110.8	L362 E367 A368	L362-D365 HydrophobicContact CB-CB 4.44Å; L362-D365 WeakPolarHBondContact O-CB 3.28Å; L362-D365 PolarHBondContact O-N 2.91Å; D365-E367 PolarHBondContact O-N 2.9Å; D365-E367 VanDerWaalsContact O-N 3.11Å; D365-A368 PolarHBondContact O-N 3.4Å
366	T	53.3	Low	73.3	Confident	117 Å²	117	78.6 Å²	78.6	72%	0.718	44%	0.444	S	S	*	.	H	α-helix	trans	-60.8	-20.9	-172.7	36.5	0	0	0	0	114.1	G364	G364-T366 PolarHBondContact O-N 3.49Å
367	E	53	Low	73.9	Confident	159 Å²	159	72.7 Å²	72.7	74%	0.743	42%	0.416	S	S	*	.	H	α-helix	trans	-72.6	-34.4	179.6	-66.4	-158.7	157.3	0	0	112.8	D365 G370 T371	D365-E367 PolarHBondContact O-N 2.9Å; D365-E367 VanDerWaalsContact O-N 3.11Å; E367-G370 PolarHBondContact O-N 3.26Å; E367-T371 PolarHBondContact O-N 2.77Å; E367-T371 PolarHBondContact O-OG1 2.86Å
368	A	52.1	Low	74.5	Confident	7 Å²	7	70.5 Å²	70.5	6%	0.058	41%	0.41	C	S	.	.	H	α-helix	trans	-72	-36.6	178.4	0	0	0	0	0	112.2	R339 L362 D365 G370 T371	R339-A368 PolarHBondContact NH1-O 2.86Å; L362-A368 HydrophobicContact CB-CB 4.5Å; L362-A368 HydrophobicContact CD1-CB 3.26Å; L362-A368 HydrophobicContact CD2-CB 4.23Å; L362-A368 HydrophobicContact CG-CB 4.18Å; D365-A368 PolarHBondContact O-N 3.4Å; A368-G370 PolarHBondContact O-N 2.71Å; A368-T371 WeakPolarHBondContact O-CB 3.46Å; A368-T371 PolarHBondContact O-N 3.04Å; A368-T371 VanDerWaalsContact O-N 3.13Å; A368-T371 PolarHBondContact O-OG1 3.4Å
369	H	55.1	Low	75	Confident	98 Å²	98	77.6 Å²	77.6	45%	0.454	44%	0.437	S	S	.	.	H	α-helix	trans	-59.6	-32.9	174.2	-74.2	-76.2	0	0	0	112.8	R339 T359	R339-H369 PolarHBondContact NH1-O 3.35Å; R339-H369 PolarHBondContact NH2-O 3.33Å; T359-H369 WeakPolarHBondContact CG2-CE1 3.27Å; T359-H369 VanDerWaalsContact CG2-ND1 3.32Å; T359-H369 WeakPolarHBondContact CG2-ND1 3.29Å
370	G	63.3	Low	75.8	Confident	55 Å²	55	77.2 Å²	77.2	57%	0.567	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.3	177.7	0	0	0	0	0	115.9	E367 A368 K372	E367-G370 PolarHBondContact O-N 3.26Å; A368-G370 PolarHBondContact O-N 2.71Å; G370-K372 PolarHBondContact O-N 3.48Å
371	T	77.1	Confident	76.6	Confident	23 Å²	23	70.5 Å²	70.5	14%	0.141	40%	0.402	C	S	.	.			trans	-67.3	102.5	-174.8	-65.8	0	0	0	0	112.2	R336 R339 E367 A368	R336-T371 HydrophobicContact CB-CG2 3.75Å; R336-T371 HydrophobicContact CG-CG2 4.28Å; R339-T371 WeakPolarHBondContact CD-O 3.42Å; R339-T371 VanDerWaalsContact NH1-C 3.33Å; R339-T371 VanDerWaalsContact NH1-N 3.17Å; R339-T371 PolarHBondContact NH1-O 3.48Å; E367-T371 PolarHBondContact O-N 2.77Å; E367-T371 PolarHBondContact O-OG1 2.86Å; A368-T371 WeakPolarHBondContact O-CB 3.46Å; A368-T371 PolarHBondContact O-N 3.04Å; A368-T371 VanDerWaalsContact O-N 3.13Å; A368-T371 PolarHBondContact O-OG1 3.4Å
372	K	86.4	Confident	77.5	Confident	170 Å²	170	70.1 Å²	70.1	74%	0.739	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-67	155.4	179.9	-66.7	-177.6	-178.3	179.2	0	111.9	G370	G370-K372 PolarHBondContact O-N 3.48Å
373	P	91.9	Very high	78.8	Confident	43 Å²	43	72 Å²	72	28%	0.279	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-57.2	160.2	168.8	26.5	-35.7	0	0	0	111	R339 L343 Q375	R339-P373 HydrophobicContact CB-CB 4.2Å; L343-P373 HydrophobicContact CD1-CB 3.86Å; L343-P373 HydrophobicContact CD1-CG 4.14Å; L343-P373 HydrophobicContact CD2-CG 4.43Å; L343-P373 HydrophobicContact CG-CB 4.34Å; P373-Q375 PolarHBondContact O-N 3Å
374	S	93.4	Very high	80.7	Confident	33 Å²	33	68.9 Å²	68.9	23%	0.231	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-54.2	127.1	174.7	175.3	0	0	0	0	110.3	S340 E376 I377 A378	S340-S374 PolarHBondContact OG-N 2.94Å; S374-E376 PolarHBondContact O-N 3.03Å; S374-E376 PolarHBondContact OG-N 2.93Å; S374-I377 PolarHBondContact O-N 3.11Å; S374-A378 WeakPolarHBondContact O-CB 3.49Å; S374-A378 PolarHBondContact O-N 3.3Å
375	Q	94	Very high	82.8	Confident	127 Å²	127	68 Å²	68	59%	0.593	36%	0.356	S	S	*	.	H	α-helix	trans	-60.3	-33.1	179.1	-173.6	89.3	51.4	0	0	111.4	P373 R379	P373-Q375 PolarHBondContact O-N 3Å; Q375-R379 WeakPolarHBondContact O-CB 3.28Å; Q375-R379 VanDerWaalsContact O-CG 3.24Å; Q375-R379 WeakPolarHBondContact O-CG 3.35Å; Q375-R379 PolarHBondContact O-N 2.97Å
376	E	94.8	Very high	84.9	Confident	107 Å²	107	69.5 Å²	69.5	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-70.1	-46.6	179.9	-67	178.1	173.6	0	0	111.2	S374 R379 Y380	S374-E376 PolarHBondContact O-N 3.03Å; S374-E376 PolarHBondContact OG-N 2.93Å; E376-R379 PolarHBondContact O-N 3.36Å; E376-Y380 PolarHBondContact O-N 2.74Å
377	I	96.9	Very high	87	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-42.6	175	-58.7	-60.8	0	0	0	110.9	L249 L314 L318 L343 F344 S374 R379 Y380 V381	L249-I377 HydrophobicContact CD1-CD1 3.96Å; L249-I377 HydrophobicContact CD2-CD1 4.4Å; L314-I377 HydrophobicContact CD1-CD1 4.4Å; L314-I377 HydrophobicContact CD2-CD1 4.21Å; L318-I377 HydrophobicContact CD1-CD1 4.2Å; L318-I377 HydrophobicContact CD1-CG1 4.38Å; L318-I377 HydrophobicContact CD1-CG2 4.3Å; L318-I377 HydrophobicContact CD2-CD1 4.43Å; L318-I377 HydrophobicContact CD2-CG1 4.48Å; L343-I377 HydrophobicContact CD1-CG2 4.24Å; F344-I377 HydrophobicContact CE2-CG2 3.54Å; F344-I377 HydrophobicContact CZ-CG2 3.97Å; S374-I377 PolarHBondContact O-N 3.11Å; I377-R379 VanDerWaalsContact C-N 3.31Å; I377-R379 PolarHBondContact O-N 2.89Å; I377-Y380 WeakPolarHBondContact O-CB 3.5Å; I377-Y380 PolarHBondContact O-N 3Å; I377-Y380 VanDerWaalsContact O-N 3.13Å; I377-V381 HydrophobicContact CG2-CG2 4.25Å; I377-V381 WeakPolarHBondContact O-CG2 3Å; I377-V381 PolarHBondContact O-N 3.41Å
378	A	96.8	Very high	89.1	Confident	33 Å²	33	57.2 Å²	57.2	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-40.5	176.6	0	0	0	0	0	112.6	L343 S374 S382	L343-A378 HydrophobicContact CD1-CB 3.92Å; S374-A378 WeakPolarHBondContact O-CB 3.49Å; S374-A378 PolarHBondContact O-N 3.3Å; A378-S382 VanDerWaalsContact O-CB 3.22Å; A378-S382 WeakPolarHBondContact O-CB 3.23Å; A378-S382 PolarHBondContact O-N 3.11Å
379	R	96.1	Very high	91.2	Very high	156 Å²	156	63 Å²	63	59%	0.589	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-41.4	173.7	-74.4	172	-172.7	155.3	3.6	111.6	Q375 E376 I377 R383	Q375-R379 WeakPolarHBondContact O-CB 3.28Å; Q375-R379 VanDerWaalsContact O-CG 3.24Å; Q375-R379 WeakPolarHBondContact O-CG 3.35Å; Q375-R379 PolarHBondContact O-N 2.97Å; E376-R379 PolarHBondContact O-N 3.36Å; I377-R379 VanDerWaalsContact C-N 3.31Å; I377-R379 PolarHBondContact O-N 2.89Å; R379-R383 WeakPolarHBondContact O-CB 3.43Å; R379-R383 PolarHBondContact O-N 3.46Å
380	Y	96.7	Very high	93.2	Very high	13 Å²	13	62.9 Å²	62.9	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-55.1	177.1	175.1	-86.8	0	0	0	111.5	L249 T252 V297 L314 F344 E376 I377 R383 S384 W408	L249-Y380 HydrophobicContact CD2-CD2 3.95Å; L249-Y380 HydrophobicContact CD2-CG 4.33Å; T252-Y380 HydrophobicContact CG2-CE2 4.38Å; V297-Y380 VanDerWaalsContact CG2-OH 3.27Å; V297-Y380 WeakPolarHBondContact CG2-OH 3.38Å; L314-Y380 HydrophobicContact CD2-CD1 4.11Å; L314-Y380 HydrophobicContact CD2-CE1 3.99Å; L314-Y380 HydrophobicContact CD2-CG 4.45Å; F344-Y380 HydrophobicContact CE1-CD1 4.18Å; F344-Y380 AromaticContact CE1-CE1 3.96Å; F344-Y380 HydrophobicContact CE1-CE1 3.96Å; F344-Y380 HydrophobicContact CZ-CD1 4.14Å; F344-Y380 HydrophobicContact CZ-CE1 4.27Å; E376-Y380 PolarHBondContact O-N 2.74Å; I377-Y380 WeakPolarHBondContact O-CB 3.5Å; I377-Y380 PolarHBondContact O-N 3Å; I377-Y380 VanDerWaalsContact O-N 3.13Å; Y380-R383 PolarHBondContact O-N 3.31Å; Y380-S384 WeakPolarHBondContact O-CB 3.26Å; Y380-S384 PolarHBondContact O-N 3.22Å; Y380-W408 HydrophobicContact CE1-CZ2 4.13Å
381	V	97.2	Very high	94.8	Very high	11 Å²	11	60.3 Å²	60.3	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-50	-179	173.4	0	0	0	0	110.1	L343 F344 I377 R383 S384 L385 W408	L343-V381 HydrophobicContact CB-CG1 4.43Å; L343-V381 HydrophobicContact CB-CG2 4.1Å; F344-V381 HydrophobicContact CD1-CG2 4.1Å; F344-V381 HydrophobicContact CD2-CG2 4.35Å; F344-V381 HydrophobicContact CE1-CG2 3.74Å; F344-V381 HydrophobicContact CE2-CG2 4Å; F344-V381 HydrophobicContact CG-CG2 4.4Å; F344-V381 HydrophobicContact CZ-CG2 3.68Å; I377-V381 HydrophobicContact CG2-CG2 4.25Å; I377-V381 WeakPolarHBondContact O-CG2 3Å; I377-V381 PolarHBondContact O-N 3.41Å; V381-R383 VanDerWaalsContact C-N 3.3Å; V381-R383 PolarHBondContact O-N 2.76Å; V381-S384 PolarHBondContact O-N 3.3Å; V381-L385 HydrophobicContact CG1-CD1 3.99Å; V381-L385 HydrophobicContact CG1-CG 4.34Å; V381-L385 WeakPolarHBondContact O-CG 3.39Å; V381-L385 PolarHBondContact O-N 3.25Å; V381-W408 HydrophobicContact CG1-CH2 4.49Å; V381-W408 HydrophobicContact CG1-CZ3 3.99Å
382	S	96.6	Very high	95.7	Very high	71 Å²	71	59.5 Å²	59.5	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-40.6	179.2	-179.7	0	0	0	0	112.5	A378 Q386	A378-S382 VanDerWaalsContact O-CB 3.22Å; A378-S382 WeakPolarHBondContact O-CB 3.23Å; A378-S382 PolarHBondContact O-N 3.11Å; S382-Q386 VanDerWaalsContact O-CG 3.25Å; S382-Q386 WeakPolarHBondContact O-CG 3.37Å; S382-Q386 PolarHBondContact O-N 3.07Å
383	R	96.5	Very high	96.1	Very high	76 Å²	76	56.9 Å²	56.9	29%	0.287	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-52.2	177.5	174.6	-178.7	67.4	-166	3.8	110.5	D253 R379 Y380 V381 L385 Q386 E387	D253-R383 IonicContact OD1-CZ 3.93Å; D253-R383 IonicContact OD1-NH1 3.74Å; D253-R383 PolarHBondContact OD1-NH1 2.67Å; D253-R383 VanDerWaalsContact OD1-NH1 3.16Å; D253-R383 IonicContact OD1-NH2 2.81Å; D253-R383 PolarHBondContact OD1-NH2 3.29Å; R379-R383 WeakPolarHBondContact O-CB 3.43Å; R379-R383 PolarHBondContact O-N 3.46Å; Y380-R383 PolarHBondContact O-N 3.31Å; V381-R383 VanDerWaalsContact C-N 3.3Å; V381-R383 PolarHBondContact O-N 2.76Å; R383-L385 VanDerWaalsContact C-N 3.34Å; R383-L385 PolarHBondContact O-N 2.85Å; R383-Q386 PolarHBondContact O-N 3.38Å; R383-Q386 VanDerWaalsContact O-N 3.13Å; R383-E387 HydrophobicContact CG-CG 4.41Å; R383-E387 WeakPolarHBondContact CG-OE1 3.44Å; R383-E387 WeakPolarHBondContact O-CG 3.39Å; R383-E387 PolarHBondContact O-N 2.96Å
384	S	97.2	Very high	96.1	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-43.5	-176.4	179.9	0	0	0	0	111.9	Q294 Y380 V381 Q386 E387 K388	Q294-S384 PolarHBondContact NE2-OG 3.35Å; Q294-S384 PolarHBondContact OE1-OG 3.4Å; Y380-S384 WeakPolarHBondContact O-CB 3.26Å; Y380-S384 PolarHBondContact O-N 3.22Å; V381-S384 PolarHBondContact O-N 3.3Å; S384-Q386 VanDerWaalsContact C-N 3.34Å; S384-Q386 PolarHBondContact O-N 2.76Å; S384-E387 PolarHBondContact O-N 2.8Å; S384-K388 WeakPolarHBondContact O-CG 3.39Å; S384-K388 PolarHBondContact O-N 3.07Å; S384-K388 WeakPolarHBondContact OG-CE 3.25Å
385	L	97.4	Very high	96	Very high	39 Å²	39	55.7 Å²	55.7	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-38.4	176.3	-66.2	-178.8	0	0	0	113.4	V381 R383 K389 W408 P410 V413	V381-L385 HydrophobicContact CG1-CD1 3.99Å; V381-L385 HydrophobicContact CG1-CG 4.34Å; V381-L385 WeakPolarHBondContact O-CG 3.39Å; V381-L385 PolarHBondContact O-N 3.25Å; R383-L385 VanDerWaalsContact C-N 3.34Å; R383-L385 PolarHBondContact O-N 2.85Å; L385-K389 PolarHBondContact O-N 3.49Å; L385-W408 HydrophobicContact CD2-CE3 4.28Å; L385-W408 HydrophobicContact CD2-CH2 4.3Å; L385-W408 HydrophobicContact CD2-CZ3 3.53Å; L385-W408 HydrophobicContact CG-CZ3 3.93Å; L385-P410 HydrophobicContact CD1-CG 4.47Å; L385-P410 HydrophobicContact CD2-CG 4.15Å; L385-V413 HydrophobicContact CD2-CG2 4.23Å
386	Q	96.9	Very high	96	Very high	116 Å²	116	53 Å²	53	54%	0.542	25%	0.253	S	S	.	.	H	α-helix	trans	-70.2	-38.1	177.3	-66.5	-65.5	-14.9	0	0	112	S382 R383 S384 K389 L390	S382-Q386 VanDerWaalsContact O-CG 3.25Å; S382-Q386 WeakPolarHBondContact O-CG 3.37Å; S382-Q386 PolarHBondContact O-N 3.07Å; R383-Q386 PolarHBondContact O-N 3.38Å; R383-Q386 VanDerWaalsContact O-N 3.13Å; S384-Q386 VanDerWaalsContact C-N 3.34Å; S384-Q386 PolarHBondContact O-N 2.76Å; Q386-K389 PolarHBondContact O-N 3.46Å; Q386-L390 PolarHBondContact O-N 2.75Å
387	E	96.9	Very high	95.8	Very high	18 Å²	18	52.2 Å²	52.2	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-46.3	175	-66.1	174.5	178.6	0	0	110.9	R256 L290 Q294 R383 S384 K389 L390 L391	R256-E387 IonicContact CZ-OE1 3.24Å; R256-E387 IonicContact CZ-OE2 3.25Å; R256-E387 IonicContact NH1-OE1 3.62Å; R256-E387 PolarHBondContact NH1-OE1 3.21Å; R256-E387 IonicContact NH1-OE2 2.92Å; R256-E387 PolarHBondContact NH1-OE2 3.07Å; R256-E387 IonicContact NH2-OE1 3.84Å; R256-E387 PolarHBondContact NH2-OE1 3.27Å; R256-E387 IonicContact NH2-OE2 3.97Å; L290-E387 HydrophobicContact CD2-CB 4.24Å; L290-E387 HydrophobicContact CD2-CG 3.87Å; Q294-E387 PolarHBondContact NE2-OE2 3.33Å; R383-E387 HydrophobicContact CG-CG 4.41Å; R383-E387 WeakPolarHBondContact CG-OE1 3.44Å; R383-E387 WeakPolarHBondContact O-CG 3.39Å; R383-E387 PolarHBondContact O-N 2.96Å; S384-E387 PolarHBondContact O-N 2.8Å; E387-K389 VanDerWaalsContact C-N 3.33Å; E387-K389 PolarHBondContact O-N 3.25Å; E387-L390 WeakPolarHBondContact O-CB 3.17Å; E387-L390 PolarHBondContact O-N 2.99Å; E387-L390 VanDerWaalsContact O-N 3.15Å; E387-L391 WeakPolarHBondContact O-CG 3.38Å; E387-L391 PolarHBondContact O-N 3.01Å
388	K	97.3	Very high	95.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-39.5	177	-70.7	-178.3	-169.4	-165.4	0	112.8	S384 L390 L391 Y392 F402 D404 D406 T409 V413	S384-K388 WeakPolarHBondContact O-CG 3.39Å; S384-K388 PolarHBondContact O-N 3.07Å; S384-K388 WeakPolarHBondContact OG-CE 3.25Å; K388-L390 PolarHBondContact O-N 2.92Å; K388-L391 PolarHBondContact O-N 2.65Å; K388-L391 VanDerWaalsContact O-N 3.1Å; K388-Y392 HydrophobicContact CB-CD2 4.3Å; K388-Y392 HydrophobicContact CB-CE2 4.32Å; K388-Y392 VanDerWaalsContact O-CD2 3.24Å; K388-Y392 WeakPolarHBondContact O-CD2 3.44Å; K388-Y392 PolarHBondContact O-N 3.04Å; K388-F402 HydrophobicContact CG-CZ 4.23Å; K388-D404 VanDerWaalsContact CE-OD1 3.29Å; K388-D404 WeakPolarHBondContact CE-OD1 3.36Å; K388-D404 IonicContact NZ-OD1 3.94Å; K388-D404 PolarHBondContact NZ-OD1 3Å; K388-D404 IonicContact NZ-OD2 3.18Å; K388-D406 WeakPolarHBondContact CE-OD2 3.16Å; K388-D406 IonicContact NZ-OD2 3.51Å; K388-D406 PolarHBondContact NZ-OD2 2.96Å; K388-T409 HydrophobicContact CD-CG2 3.94Å; K388-T409 WeakPolarHBondContact CD-OG1 3.43Å; K388-T409 PolarHBondContact NZ-OG1 3.05Å; K388-V413 HydrophobicContact CB-CG1 4Å
389	K	96.6	Very high	95	Very high	127 Å²	127	60.3 Å²	60.3	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-56.7	-40.8	175.3	-170.8	175.2	-178.3	175.9	0	112	L385 Q386 E387 F393 V413	L385-K389 PolarHBondContact O-N 3.49Å; Q386-K389 PolarHBondContact O-N 3.46Å; E387-K389 VanDerWaalsContact C-N 3.33Å; E387-K389 PolarHBondContact O-N 3.25Å; K389-F393 WeakPolarHBondContact O-CB 3.28Å; K389-F393 PolarHBondContact O-N 3.35Å; K389-V413 HydrophobicContact CB-CG1 4.15Å
390	L	96.8	Very high	94.6	Very high	97 Å²	97	53.9 Å²	53.9	51%	0.508	27%	0.266	S	S	.	.	H	α-helix	trans	-71.1	-39.3	175.9	-64.1	174.8	0	0	0	112.1	L287 L290 Q386 E387 K388 F393 G394	L287-L390 VanDerWaalsContact CD2-O 3.28Å; L287-L390 WeakPolarHBondContact CD2-O 3.46Å; L290-L390 HydrophobicContact CD1-CB 3.75Å; L290-L390 HydrophobicContact CD1-CD1 3.79Å; L290-L390 HydrophobicContact CD1-CG 4.43Å; Q386-L390 PolarHBondContact O-N 2.75Å; E387-L390 WeakPolarHBondContact O-CB 3.17Å; E387-L390 PolarHBondContact O-N 2.99Å; E387-L390 VanDerWaalsContact O-N 3.15Å; K388-L390 PolarHBondContact O-N 2.92Å; L390-F393 WeakPolarHBondContact O-CB 3.44Å; L390-F393 PolarHBondContact O-N 3.24Å; L390-G394 PolarHBondContact O-N 2.95Å
391	L	96.4	Very high	94.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-47.1	178.8	-74.3	160.9	0	0	0	112.2	L287 L290 Q294 E387 K388 F393 G394 M395 F400 F402	L287-L391 HydrophobicContact CD2-CD2 4.15Å; L287-L391 WeakPolarHBondContact O-CD2 3.41Å; L290-L391 HydrophobicContact CB-CD1 4.02Å; L290-L391 HydrophobicContact CB-CD2 3.91Å; L290-L391 HydrophobicContact CB-CG 3.96Å; Q294-L391 HydrophobicContact CB-CD1 4.46Å; Q294-L391 HydrophobicContact CG-CD1 3.71Å; E387-L391 WeakPolarHBondContact O-CG 3.38Å; E387-L391 PolarHBondContact O-N 3.01Å; K388-L391 PolarHBondContact O-N 2.65Å; K388-L391 VanDerWaalsContact O-N 3.1Å; L391-F393 VanDerWaalsContact C-N 3.33Å; L391-F393 PolarHBondContact O-N 3.48Å; L391-G394 CarbonylContact O-C 3.56Å; L391-G394 WeakPolarHBondContact O-CA 3.45Å; L391-G394 PolarHBondContact O-N 3.39Å; L391-M395 PolarHBondContact O-N 2.99Å; L391-F400 HydrophobicContact CD2-CD1 4.4Å; L391-F400 HydrophobicContact CD2-CE1 3.82Å; L391-F400 HydrophobicContact CD2-CZ 4.5Å; L391-F402 HydrophobicContact CB-CB 4.44Å; L391-F402 HydrophobicContact CB-CD1 3.69Å; L391-F402 HydrophobicContact CB-CD2 4.24Å; L391-F402 HydrophobicContact CB-CE1 3.91Å; L391-F402 HydrophobicContact CB-CE2 4.46Å; L391-F402 HydrophobicContact CB-CG 3.85Å; L391-F402 HydrophobicContact CB-CZ 4.3Å; L391-F402 HydrophobicContact CD1-CD2 3.91Å; L391-F402 HydrophobicContact CD1-CE1 4.29Å; L391-F402 HydrophobicContact CD1-CE2 3.62Å; L391-F402 HydrophobicContact CD1-CG 4.39Å; L391-F402 HydrophobicContact CD1-CZ 3.81Å; L391-F402 HydrophobicContact CD2-CD2 4.15Å; L391-F402 HydrophobicContact CD2-CG 4.29Å; L391-F402 HydrophobicContact CG-CD2 4.34Å; L391-F402 HydrophobicContact CG-CE2 4.47Å; L391-F402 HydrophobicContact CG-CG 4.41Å
392	Y	96	Very high	93.8	Very high	7 Å²	7	59.3 Å²	59.3	3%	0.027	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-37.2	175.3	-80.1	-61.9	0	0	0	112.9	K388 G394 M395 E396 F402 D404 T409 V413 V414 P415 L418 W422	K388-Y392 HydrophobicContact CB-CD2 4.3Å; K388-Y392 HydrophobicContact CB-CE2 4.32Å; K388-Y392 VanDerWaalsContact O-CD2 3.24Å; K388-Y392 WeakPolarHBondContact O-CD2 3.44Å; K388-Y392 PolarHBondContact O-N 3.04Å; Y392-G394 PolarHBondContact O-N 3.38Å; Y392-M395 HydrophobicContact CD1-SD 3.68Å; Y392-M395 HydrophobicContact CE1-SD 3.91Å; Y392-M395 WeakPolarHBondContact O-CB 3.34Å; Y392-M395 PolarHBondContact O-N 2.98Å; Y392-M395 VanDerWaalsContact O-N 3.14Å; Y392-E396 PolarHBondContact O-N 2.93Å; Y392-F402 HydrophobicContact CD2-CE1 4.47Å; Y392-F402 HydrophobicContact CE1-CD1 4.4Å; Y392-F402 HydrophobicContact CE1-CE1 4.44Å; Y392-F402 HydrophobicContact CE2-CE1 4.1Å; Y392-D404 VanDerWaalsContact OH-CB 3.27Å; Y392-D404 WeakPolarHBondContact OH-CB 3.3Å; Y392-D404 PolarHBondContact OH-OD2 3.14Å; Y392-T409 HydrophobicContact CE2-CG2 4.27Å; Y392-V413 HydrophobicContact CD2-CG1 4.23Å; Y392-V414 HydrophobicContact CD1-CG1 4.31Å; Y392-V414 HydrophobicContact CD2-CG2 4.37Å; Y392-V414 HydrophobicContact CE1-CG1 4.18Å; Y392-V414 HydrophobicContact CE1-CG2 4.33Å; Y392-V414 HydrophobicContact CE2-CG2 3.86Å; Y392-P415 VanDerWaalsContact CB-CD 3.46Å; Y392-L418 HydrophobicContact CD1-CD1 4.21Å; Y392-W422 AromaticContact CZ-NE1 4Å; Y392-W422 PolarHBondContact OH-NE1 3.26Å
393	F	94.9	Very high	93.4	Very high	114 Å²	114	61.1 Å²	61.1	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-57.4	-41.7	170.4	177.6	-89.6	0	0	0	111.1	K389 L390 L391 N397 L398	K389-F393 WeakPolarHBondContact O-CB 3.28Å; K389-F393 PolarHBondContact O-N 3.35Å; L390-F393 WeakPolarHBondContact O-CB 3.44Å; L390-F393 PolarHBondContact O-N 3.24Å; L391-F393 VanDerWaalsContact C-N 3.33Å; L391-F393 PolarHBondContact O-N 3.48Å; F393-N397 HydrophobicContact CE1-CB 4.41Å; F393-N397 HydrophobicContact CZ-CB 4.31Å; F393-N397 WeakPolarHBondContact O-CB 3.14Å; F393-N397 PolarHBondContact O-N 3.46Å; F393-N397 PolarHBondContact O-ND2 3.34Å; F393-L398 HydrophobicContact CE1-CD1 4.49Å
394	G	92.8	Very high	93.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-36.8	174	0	0	0	0	0	114.1	L390 L391 Y392 L398 N399 F400	L390-G394 PolarHBondContact O-N 2.95Å; L391-G394 CarbonylContact O-C 3.56Å; L391-G394 WeakPolarHBondContact O-CA 3.45Å; L391-G394 PolarHBondContact O-N 3.39Å; Y392-G394 PolarHBondContact O-N 3.38Å; G394-L398 CarbonylContact O-C 3.56Å; G394-L398 VanDerWaalsContact O-CA 3.3Å; G394-L398 WeakPolarHBondContact O-CA 3.17Å; G394-L398 WeakPolarHBondContact O-CB 3.32Å; G394-L398 PolarHBondContact O-N 3.36Å; G394-N399 PolarHBondContact O-N 3.49Å; G394-F400 WeakPolarHBondContact O-CB 3.37Å; G394-F400 PolarHBondContact O-N 3.32Å; G394-F400 VanDerWaalsContact O-N 3.11Å
395	M	92	Very high	92.8	Very high	51 Å²	51	59.7 Å²	59.7	25%	0.251	30%	0.303	S	S	.	.	H	α-helix	trans	-64.4	-49.6	174.8	-67	-177.3	76	0	0	111.7	L391 Y392 F400 F402 L418	L391-M395 PolarHBondContact O-N 2.99Å; Y392-M395 HydrophobicContact CD1-SD 3.68Å; Y392-M395 HydrophobicContact CE1-SD 3.91Å; Y392-M395 WeakPolarHBondContact O-CB 3.34Å; Y392-M395 PolarHBondContact O-N 2.98Å; Y392-M395 VanDerWaalsContact O-N 3.14Å; M395-F400 WeakPolarHBondContact CA-O 3.35Å; M395-F400 WeakPolarHBondContact CG-O 3.4Å; M395-F402 VanDerWaalsContact CE-O 3.25Å; M395-F402 WeakPolarHBondContact CE-O 3.37Å; M395-F402 HydrophobicContact CG-CB 3.77Å; M395-F402 HydrophobicContact SD-CB 3.71Å; M395-F402 HydrophobicContact SD-CD1 3.78Å; M395-F402 HydrophobicContact SD-CG 4.23Å; M395-L418 HydrophobicContact CB-CD1 3.82Å
396	E	92.8	Very high	92.5	Very high	72 Å²	72	58.4 Å²	58.4	34%	0.336	30%	0.296	S	S	.	.	H	α-helix	trans	-67.2	-41.5	-177	179.6	-175.5	-134.7	0	0	112	Y392 P415 L417 L418	Y392-E396 PolarHBondContact O-N 2.93Å; E396-P415 HydrophobicContact CB-CB 4.38Å; E396-P415 HydrophobicContact CB-CG 4.28Å; E396-P415 VanDerWaalsContact CD-CB 3.5Å; E396-P415 HydrophobicContact CG-CB 4.39Å; E396-P415 WeakPolarHBondContact OE1-CB 3.36Å; E396-L417 HydrophobicContact CG-CD1 4.27Å; E396-L418 HydrophobicContact CB-CD1 4.24Å
397	N	91.9	Very high	92	Very high	89 Å²	89	53.3 Å²	53.3	48%	0.476	27%	0.273	S	S	.	.	H	α-helix	trans	-112.9	-20.1	-165	-59.9	-81	0	0	0	114.7	F393	F393-N397 HydrophobicContact CE1-CB 4.41Å; F393-N397 HydrophobicContact CZ-CB 4.31Å; F393-N397 WeakPolarHBondContact O-CB 3.14Å; F393-N397 PolarHBondContact O-N 3.46Å; F393-N397 PolarHBondContact O-ND2 3.34Å
398	L	89.9	Confident	91.8	Very high	64 Å²	64	52.9 Å²	52.9	34%	0.335	27%	0.27	S	S	.	.	H	α-helix	trans	-124.1	13.3	-171	-58.1	175.2	0	0	0	113.3	R270 A283 L287 F393 G394 F400	R270-L398 PolarHBondContact NH1-O 2.94Å; A283-L398 HydrophobicContact CB-CD1 3.74Å; L287-L398 HydrophobicContact CD1-CD1 3.94Å; F393-L398 HydrophobicContact CE1-CD1 4.49Å; G394-L398 CarbonylContact O-C 3.56Å; G394-L398 VanDerWaalsContact O-CA 3.3Å; G394-L398 WeakPolarHBondContact O-CA 3.17Å; G394-L398 WeakPolarHBondContact O-CB 3.32Å; G394-L398 PolarHBondContact O-N 3.36Å; L398-F400 PolarHBondContact O-N 3.29Å; L398-F400 VanDerWaalsContact O-N 3.11Å
399	N	86.1	Confident	91.6	Very high	142 Å²	142	53 Å²	53	76%	0.759	27%	0.271	S	S	*	.			trans	49.5	38.4	-178.4	-165.6	37.7	0	0	0	112	R270 G394	R270-N399 PolarHBondContact NH1-O 2.89Å; R270-N399 VanDerWaalsContact NH1-O 3.16Å; G394-N399 PolarHBondContact O-N 3.49Å
400	F	88.4	Confident	91.4	Very high	21 Å²	21	49.1 Å²	49.1	9%	0.092	26%	0.259	C	S	.	.			trans	-85	137.7	175.7	-171.8	-93.1	0	0	0	109.5	L287 L391 G394 M395 L398 F402	L287-F400 HydrophobicContact CB-CD1 4.21Å; L287-F400 HydrophobicContact CB-CD2 3.55Å; L287-F400 HydrophobicContact CB-CE1 4.09Å; L287-F400 HydrophobicContact CB-CE2 3.44Å; L287-F400 VanDerWaalsContact CB-CE2 3.44Å; L287-F400 HydrophobicContact CB-CG 3.98Å; L287-F400 HydrophobicContact CB-CZ 3.74Å; L287-F400 HydrophobicContact CD1-CB 3.94Å; L287-F400 HydrophobicContact CD1-CD2 3.87Å; L287-F400 HydrophobicContact CD1-CG 3.89Å; L287-F400 HydrophobicContact CG-CD2 4.35Å; L287-F400 HydrophobicContact CG-CG 4.47Å; L287-F400 WeakPolarHBondContact O-CZ 3.44Å; L391-F400 HydrophobicContact CD2-CD1 4.4Å; L391-F400 HydrophobicContact CD2-CE1 3.82Å; L391-F400 HydrophobicContact CD2-CZ 4.5Å; G394-F400 WeakPolarHBondContact O-CB 3.37Å; G394-F400 PolarHBondContact O-N 3.32Å; G394-F400 VanDerWaalsContact O-N 3.11Å; M395-F400 WeakPolarHBondContact CA-O 3.35Å; M395-F400 WeakPolarHBondContact CG-O 3.4Å; L398-F400 PolarHBondContact O-N 3.29Å; L398-F400 VanDerWaalsContact O-N 3.11Å; F400-F402 HydrophobicContact CD1-CB 3.98Å; F400-F402 HydrophobicContact CE1-CB 4.01Å
401	N	86.7	Confident	91.2	Very high	130 Å²	130	47.9 Å²	47.9	70%	0.695	25%	0.25	S	S	*	.			trans	-91.8	121.3	173.7	-171.5	19.7	0	0	0	109.5
402	F	90	Very high	91	Very high	8 Å²	8	55 Å²	55	4%	0.035	28%	0.284	C	S	.	.			trans	-136.6	133.7	175.9	166.4	-117.1	0	0	0	108.9	Q294 K388 L391 Y392 M395 F400 D404	Q294-F402 HydrophobicContact CB-CE2 4.24Å; K388-F402 HydrophobicContact CG-CZ 4.23Å; L391-F402 HydrophobicContact CB-CB 4.44Å; L391-F402 HydrophobicContact CB-CD1 3.69Å; L391-F402 HydrophobicContact CB-CD2 4.24Å; L391-F402 HydrophobicContact CB-CE1 3.91Å; L391-F402 HydrophobicContact CB-CE2 4.46Å; L391-F402 HydrophobicContact CB-CG 3.85Å; L391-F402 HydrophobicContact CB-CZ 4.3Å; L391-F402 HydrophobicContact CD1-CD2 3.91Å; L391-F402 HydrophobicContact CD1-CE1 4.29Å; L391-F402 HydrophobicContact CD1-CE2 3.62Å; L391-F402 HydrophobicContact CD1-CG 4.39Å; L391-F402 HydrophobicContact CD1-CZ 3.81Å; L391-F402 HydrophobicContact CD2-CD2 4.15Å; L391-F402 HydrophobicContact CD2-CG 4.29Å; L391-F402 HydrophobicContact CG-CD2 4.34Å; L391-F402 HydrophobicContact CG-CE2 4.47Å; L391-F402 HydrophobicContact CG-CG 4.41Å; Y392-F402 HydrophobicContact CD2-CE1 4.47Å; Y392-F402 HydrophobicContact CE1-CD1 4.4Å; Y392-F402 HydrophobicContact CE1-CE1 4.44Å; Y392-F402 HydrophobicContact CE2-CE1 4.1Å; M395-F402 VanDerWaalsContact CE-O 3.25Å; M395-F402 WeakPolarHBondContact CE-O 3.37Å; M395-F402 HydrophobicContact CG-CB 3.77Å; M395-F402 HydrophobicContact SD-CB 3.71Å; M395-F402 HydrophobicContact SD-CD1 3.78Å; M395-F402 HydrophobicContact SD-CG 4.23Å; F400-F402 HydrophobicContact CD1-CB 3.98Å; F400-F402 HydrophobicContact CE1-CB 4.01Å; F402-D404 HydrophobicContact CE1-CB 4Å; F402-D404 HydrophobicContact CZ-CB 4.07Å
403	T	88.1	Confident	90.8	Very high	110 Å²	110	56 Å²	56	68%	0.675	29%	0.29	S	S	*	.			trans	-111.1	119.5	172.3	-55.2	0	0	0	0	106.9	P405	T403-P405 WeakPolarHBondContact O-CD 3.36Å
404	D	90.9	Very high	90.7	Very high	25 Å²	25	50.6 Å²	50.6	13%	0.134	27%	0.267	C	S	.	.			trans	-71.5	118	178.7	-173.3	-4.4	0	0	0	109.7	K388 Y392 F402 D406 T409	K388-D404 VanDerWaalsContact CE-OD1 3.29Å; K388-D404 WeakPolarHBondContact CE-OD1 3.36Å; K388-D404 IonicContact NZ-OD1 3.94Å; K388-D404 PolarHBondContact NZ-OD1 3Å; K388-D404 IonicContact NZ-OD2 3.18Å; Y392-D404 VanDerWaalsContact OH-CB 3.27Å; Y392-D404 WeakPolarHBondContact OH-CB 3.3Å; Y392-D404 PolarHBondContact OH-OD2 3.14Å; F402-D404 HydrophobicContact CE1-CB 4Å; F402-D404 HydrophobicContact CZ-CB 4.07Å; D404-D406 VanDerWaalsContact C-N 3.25Å; D404-D406 PolarHBondContact O-N 2.89Å; D404-D406 PolarHBondContact OD1-N 2.8Å; D404-T409 PolarHBondContact OD1-OG1 3.5Å; D404-T409 WeakPolarHBondContact OD2-CB 3.36Å; D404-T409 WeakPolarHBondContact OD2-CG2 3.44Å; D404-T409 PolarHBondContact OD2-OG1 3.1Å
405	P	90	Very high	90.7	Very high	24 Å²	24	51.6 Å²	51.6	16%	0.156	27%	0.274	C	S	.	.			trans	-77.5	-8.4	-178.6	33.6	-37.7	0	0	0	113.3	Q294 V297 T298 T403	Q294-P405 HydrophobicContact CB-CG 4.33Å; V297-P405 HydrophobicContact CB-CG 4.49Å; T298-P405 VanDerWaalsContact OG1-CB 3.27Å; T298-P405 WeakPolarHBondContact OG1-CB 3.16Å; T403-P405 WeakPolarHBondContact O-CD 3.36Å
406	D	90.8	Very high	90.7	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.064	30%	0.295	C	S	.	.			trans	-119.4	141.1	-175	-54.5	-85	0	0	0	115	K388 D404 W408 T409 K426	K388-D406 WeakPolarHBondContact CE-OD2 3.16Å; K388-D406 IonicContact NZ-OD2 3.51Å; K388-D406 PolarHBondContact NZ-OD2 2.96Å; D404-D406 VanDerWaalsContact C-N 3.25Å; D404-D406 PolarHBondContact O-N 2.89Å; D404-D406 PolarHBondContact OD1-N 2.8Å; D406-W408 HydrophobicContact CB-CD2 4.18Å; D406-W408 HydrophobicContact CB-CG 4.18Å; D406-W408 HydrophobicContact CB-CZ2 4.12Å; D406-W408 VanDerWaalsContact CG-CE2 3.49Å; D406-W408 PolarHBondContact OD1-NE1 3.08Å; D406-T409 PolarHBondContact O-OG1 2.67Å; D406-K426 PolarHBondContact O-NZ 3.05Å
407	L	87.9	Confident	90.5	Very high	9 Å²	9	59.6 Å²	59.6	5%	0.047	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.3	175.9	-74.9	165.1	0	0	0	114.6	E311 Y345 T409 K426 L429 L433	E311-L407 HydrophobicContact CB-CD1 4.01Å; E311-L407 HydrophobicContact CG-CD1 4.3Å; Y345-L407 VanDerWaalsContact OH-CB 3.25Å; Y345-L407 WeakPolarHBondContact OH-CB 3.43Å; L407-T409 PolarHBondContact O-N 3.13Å; L407-K426 VanDerWaalsContact C-NZ 3.28Å; L407-K426 PolarHBondContact O-NZ 3Å; L407-L429 HydrophobicContact CD1-CD2 4.31Å; L407-L429 HydrophobicContact CD1-CG 4.39Å; L407-L429 HydrophobicContact CD2-CB 3.89Å; L407-L429 HydrophobicContact CD2-CD2 3.42Å; L407-L429 VanDerWaalsContact CD2-CD2 3.42Å; L407-L429 HydrophobicContact CD2-CG 3.66Å; L407-L429 HydrophobicContact CG-CD2 3.79Å; L407-L429 HydrophobicContact CG-CG 4.26Å; L407-L433 HydrophobicContact CD1-CD1 3.11Å; L407-L433 HydrophobicContact CD1-CG 4.19Å; L407-L433 HydrophobicContact CG-CD1 4.47Å
408	W	91.8	Very high	90.4	Very high	8 Å²	8	57.1 Å²	57.1	3%	0.03	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.4	-177	56.6	-96.8	0	0	0	114.4	F344 Y345 Y380 V381 L385 D406 P410	F344-W408 HydrophobicContact CB-CB 4.01Å; F344-W408 HydrophobicContact CB-CD2 4.43Å; F344-W408 HydrophobicContact CB-CG 4.06Å; F344-W408 AromaticContact CD1-CD1 3.69Å; F344-W408 AromaticContact CD1-CD2 3.54Å; F344-W408 HydrophobicContact CD1-CD2 3.54Å; F344-W408 AromaticContact CD1-CE2 3.5Å; F344-W408 HydrophobicContact CD1-CE3 4.09Å; F344-W408 AromaticContact CD1-CG 3.71Å; F344-W408 HydrophobicContact CD1-CG 3.71Å; F344-W408 HydrophobicContact CD1-CZ2 4.09Å; F344-W408 AromaticContact CD1-NE1 3.57Å; F344-W408 HydrophobicContact CE1-CD2 4.31Å; F344-W408 AromaticContact CE1-CE2 3.83Å; F344-W408 HydrophobicContact CE1-CZ2 4.03Å; F344-W408 AromaticContact CE1-NE1 3.92Å; F344-W408 HydrophobicContact CG-CD2 4.45Å; F344-W408 HydrophobicContact CG-CG 4.39Å; F344-W408 WeakPolarHBondContact O-CB 3.44Å; Y345-W408 HydrophobicContact CD1-CB 4.12Å; Y345-W408 HydrophobicContact CD2-CB 4.48Å; Y345-W408 HydrophobicContact CE1-CB 3.58Å; Y345-W408 HydrophobicContact CE2-CB 3.99Å; Y345-W408 PolarHBondContact OH-N 2.91Å; Y380-W408 HydrophobicContact CE1-CZ2 4.13Å; V381-W408 HydrophobicContact CG1-CH2 4.49Å; V381-W408 HydrophobicContact CG1-CZ3 3.99Å; L385-W408 HydrophobicContact CD2-CE3 4.28Å; L385-W408 HydrophobicContact CD2-CH2 4.3Å; L385-W408 HydrophobicContact CD2-CZ3 3.53Å; L385-W408 HydrophobicContact CG-CZ3 3.93Å; D406-W408 HydrophobicContact CB-CD2 4.18Å; D406-W408 HydrophobicContact CB-CG 4.18Å; D406-W408 HydrophobicContact CB-CZ2 4.12Å; D406-W408 VanDerWaalsContact CG-CE2 3.49Å; D406-W408 PolarHBondContact OD1-NE1 3.08Å; W408-P410 VanDerWaalsContact O-CD 3.25Å; W408-P410 WeakPolarHBondContact O-CD 3.22Å; W408-P410 VanDerWaalsContact O-N 3.17Å
409	T	93.3	Very high	90.4	Very high	4 Å²	4	57 Å²	57	3%	0.025	30%	0.295	C	S	.	.			trans	-56.3	121.8	175.5	-55.3	0	0	0	0	110.8	K388 Y392 D404 D406 L407 V413 W422 K426	K388-T409 HydrophobicContact CD-CG2 3.94Å; K388-T409 WeakPolarHBondContact CD-OG1 3.43Å; K388-T409 PolarHBondContact NZ-OG1 3.05Å; Y392-T409 HydrophobicContact CE2-CG2 4.27Å; D404-T409 PolarHBondContact OD1-OG1 3.5Å; D404-T409 WeakPolarHBondContact OD2-CB 3.36Å; D404-T409 WeakPolarHBondContact OD2-CG2 3.44Å; D404-T409 PolarHBondContact OD2-OG1 3.1Å; D406-T409 PolarHBondContact O-OG1 2.67Å; L407-T409 PolarHBondContact O-N 3.13Å; T409-V413 HydrophobicContact CG2-CB 4.13Å; T409-V413 HydrophobicContact CG2-CG1 4.3Å; T409-W422 HydrophobicContact CG2-CZ2 4.48Å; T409-W422 WeakPolarHBondContact O-CH2 3.02Å; T409-W422 WeakPolarHBondContact O-CZ2 3.46Å; T409-K426 PolarHBondContact O-NZ 3.37Å
410	P	92.8	Very high	90.5	Very high	45 Å²	45	55.5 Å²	55.5	29%	0.292	29%	0.288	S	S	.	.			trans	-66.5	143	177.2	-19.8	32.2	0	0	0	111.9	L385 W408 E412 V413	L385-P410 HydrophobicContact CD1-CG 4.47Å; L385-P410 HydrophobicContact CD2-CG 4.15Å; W408-P410 VanDerWaalsContact O-CD 3.25Å; W408-P410 WeakPolarHBondContact O-CD 3.22Å; W408-P410 VanDerWaalsContact O-N 3.17Å; P410-E412 WeakPolarHBondContact CB-OE2 3.4Å; P410-E412 PolarHBondContact O-N 3.09Å; P410-E412 VanDerWaalsContact O-N 3.16Å; P410-V413 HydrophobicContact CB-CG2 4.47Å; P410-V413 WeakPolarHBondContact O-CB 3.47Å; P410-V413 PolarHBondContact O-N 3.22Å
411	E	91.2	Very high	90.4	Very high	70 Å²	70	58.4 Å²	58.4	33%	0.327	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27	-179.4	-174	176.3	171.5	0	0	112	V413 V414 R419 W422 R423	E411-V413 PolarHBondContact O-N 3.45Å; E411-V414 PolarHBondContact O-N 2.93Å; E411-R419 HydrophobicContact CG-CG 4.05Å; E411-R419 PolarHBondContact O-NE 2.93Å; E411-R419 WeakPolarHBondContact OE1-CD 3.32Å; E411-W422 HydrophobicContact CB-CH2 4.08Å; E411-W422 HydrophobicContact CB-CZ3 3.98Å; E411-W422 HydrophobicContact CG-CZ3 4.08Å; E411-R423 IonicContact OE1-NE 3.45Å
412	E	91.8	Very high	90.4	Very high	150 Å²	150	53.3 Å²	53.3	70%	0.701	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-66.1	-21.1	178	-56.6	78.7	-171.2	0	0	113.2	P410 V414	P410-E412 WeakPolarHBondContact CB-OE2 3.4Å; P410-E412 PolarHBondContact O-N 3.09Å; P410-E412 VanDerWaalsContact O-N 3.16Å; E412-V414 VanDerWaalsContact C-N 3.32Å
413	V	93.6	Very high	90.2	Very high	27 Å²	27	58 Å²	58	16%	0.164	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-78.8	-22.1	175.1	179.6	0	0	0	0	111.3	L385 K388 K389 Y392 T409 P410 E411	L385-V413 HydrophobicContact CD2-CG2 4.23Å; K388-V413 HydrophobicContact CB-CG1 4Å; K389-V413 HydrophobicContact CB-CG1 4.15Å; Y392-V413 HydrophobicContact CD2-CG1 4.23Å; T409-V413 HydrophobicContact CG2-CB 4.13Å; T409-V413 HydrophobicContact CG2-CG1 4.3Å; P410-V413 HydrophobicContact CB-CG2 4.47Å; P410-V413 WeakPolarHBondContact O-CB 3.47Å; P410-V413 PolarHBondContact O-N 3.22Å; E411-V413 PolarHBondContact O-N 3.45Å
414	V	92.6	Very high	89.9	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	28%	0.283	C	S	.	.	S	Bend	trans	-90	127.7	-177.4	-171.5	0	0	0	0	110.4	Y392 E411 E412 L418 R419 W422	Y392-V414 HydrophobicContact CD1-CG1 4.31Å; Y392-V414 HydrophobicContact CD2-CG2 4.37Å; Y392-V414 HydrophobicContact CE1-CG1 4.18Å; Y392-V414 HydrophobicContact CE1-CG2 4.33Å; Y392-V414 HydrophobicContact CE2-CG2 3.86Å; E411-V414 PolarHBondContact O-N 2.93Å; E412-V414 VanDerWaalsContact C-N 3.32Å; V414-L418 HydrophobicContact CG1-CB 3.99Å; V414-R419 HydrophobicContact CB-CG 4.19Å; V414-R419 HydrophobicContact CG1-CG 4.09Å; V414-R419 PolarHBondContact O-NE 3.39Å; V414-R419 PolarHBondContact O-NH2 3.34Å; V414-W422 HydrophobicContact CG1-CB 4.14Å; V414-W422 HydrophobicContact CG1-CD2 4.48Å; V414-W422 HydrophobicContact CG1-CG 4.13Å; V414-W422 HydrophobicContact CG2-CD2 3.86Å; V414-W422 HydrophobicContact CG2-CE3 4.44Å; V414-W422 HydrophobicContact CG2-CG 4.1Å; V414-W422 HydrophobicContact CG2-CH2 4.42Å; V414-W422 HydrophobicContact CG2-CZ2 3.79Å
415	P	92.8	Very high	89.4	Confident	22 Å²	22	60.2 Å²	60.2	14%	0.143	31%	0.306	C	S	.	.			trans	-57.8	143.2	174.5	-23.9	31.9	0	0	0	112.1	Y392 E396 L417 L418 R419	Y392-P415 VanDerWaalsContact CB-CD 3.46Å; E396-P415 HydrophobicContact CB-CB 4.38Å; E396-P415 HydrophobicContact CB-CG 4.28Å; E396-P415 VanDerWaalsContact CD-CB 3.5Å; E396-P415 HydrophobicContact CG-CB 4.39Å; E396-P415 WeakPolarHBondContact OE1-CB 3.36Å; P415-L417 PolarHBondContact O-N 2.05Å; P415-L417 VanDerWaalsContact O-N 3.13Å; P415-L418 HydrophobicContact CG-CD1 4.36Å; P415-L418 PolarHBondContact O-N 2.85Å; P415-R419 PolarHBondContact O-N 3.36Å
416	E	90.6	Very high	88.8	Confident	151 Å²	151	60.2 Å²	60.2	71%	0.706	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-54.5	-38.2	-173.5	-68.1	-177.6	174.1	0	0	113.1	L418 R419	E416-L418 PolarHBondContact O-N 3Å; E416-R419 PolarHBondContact O-N 3.4Å
417	L	89.6	Confident	88.3	Confident	140 Å²	140	65.6 Å²	65.6	73%	0.733	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-64.5	-23.2	179.1	-67.7	174.9	0	0	0	114	E396 P415	E396-L417 HydrophobicContact CG-CD1 4.27Å; P415-L417 PolarHBondContact O-N 2.05Å; P415-L417 VanDerWaalsContact O-N 3.13Å
418	L	89.4	Confident	87.7	Confident	37 Å²	37	68.8 Å²	68.8	19%	0.194	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-103.5	-8.2	-177.1	-60.6	179	0	0	0	112.9	Y392 M395 E396 V414 P415 E416 D420 T421 W422	Y392-L418 HydrophobicContact CD1-CD1 4.21Å; M395-L418 HydrophobicContact CB-CD1 3.82Å; E396-L418 HydrophobicContact CB-CD1 4.24Å; V414-L418 HydrophobicContact CG1-CB 3.99Å; P415-L418 HydrophobicContact CG-CD1 4.36Å; P415-L418 PolarHBondContact O-N 2.85Å; E416-L418 PolarHBondContact O-N 3Å; L418-D420 VanDerWaalsContact C-N 3.35Å; L418-D420 PolarHBondContact O-N 3.41Å; L418-T421 PolarHBondContact O-N 3.01Å; L418-T421 PolarHBondContact O-OG1 2.72Å; L418-W422 WeakPolarHBondContact O-CB 3.47Å; L418-W422 PolarHBondContact O-N 2.73Å
419	R	91.2	Very high	86.6	Confident	60 Å²	60	70.4 Å²	70.4	23%	0.226	36%	0.357	C	S	.	.	H	α-helix	trans	-63.3	-37.1	-173.9	-75.4	178.8	-175.1	173.9	4	113.4	E411 V414 P415 E416 R423	E411-R419 HydrophobicContact CG-CG 4.05Å; E411-R419 PolarHBondContact O-NE 2.93Å; E411-R419 WeakPolarHBondContact OE1-CD 3.32Å; V414-R419 HydrophobicContact CB-CG 4.19Å; V414-R419 HydrophobicContact CG1-CG 4.09Å; V414-R419 PolarHBondContact O-NE 3.39Å; V414-R419 PolarHBondContact O-NH2 3.34Å; P415-R419 PolarHBondContact O-N 3.36Å; E416-R419 PolarHBondContact O-N 3.4Å; R419-R423 VanDerWaalsContact O-CB 3.24Å; R419-R423 WeakPolarHBondContact O-CB 3.39Å; R419-R423 VanDerWaalsContact O-CG 3.23Å; R419-R423 WeakPolarHBondContact O-CG 3.49Å; R419-R423 PolarHBondContact O-N 2.87Å; R419-R423 PolarHBondContact O-NE 3.42Å
420	D	87.3	Confident	85.5	Confident	111 Å²	111	73 Å²	73	59%	0.594	37%	0.371	S	S	*	.	H	α-helix	trans	-68.3	-46.6	-179	-69.4	-14.2	0	0	0	111.5	L418 R423 A424	L418-D420 VanDerWaalsContact C-N 3.35Å; L418-D420 PolarHBondContact O-N 3.41Å; D420-R423 PolarHBondContact O-N 2.79Å; D420-R423 IonicContact OD1-CZ 3.99Å; D420-R423 IonicContact OD1-NE 3.94Å; D420-R423 IonicContact OD1-NH2 3.41Å; D420-R423 PolarHBondContact OD1-NH2 2.9Å; D420-A424 PolarHBondContact O-N 3.07Å
421	T	85.2	Confident	84.3	Confident	82 Å²	82	77.3 Å²	77.3	50%	0.503	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-43	176.3	47.9	0	0	0	0	111.1	L418 A424 E425	L418-T421 PolarHBondContact O-N 3.01Å; L418-T421 PolarHBondContact O-OG1 2.72Å; T421-A424 PolarHBondContact O-N 2.91Å; T421-E425 WeakPolarHBondContact O-CG 3.5Å; T421-E425 PolarHBondContact O-N 3.27Å
422	W	86.7	Confident	82.9	Confident	23 Å²	23	81 Å²	81	9%	0.087	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-40.9	177.4	176	87.5	0	0	0	112.7	Y392 T409 E411 V414 L418 A424 E425 K426	Y392-W422 AromaticContact CZ-NE1 4Å; Y392-W422 PolarHBondContact OH-NE1 3.26Å; T409-W422 HydrophobicContact CG2-CZ2 4.48Å; T409-W422 WeakPolarHBondContact O-CH2 3.02Å; T409-W422 WeakPolarHBondContact O-CZ2 3.46Å; E411-W422 HydrophobicContact CB-CH2 4.08Å; E411-W422 HydrophobicContact CB-CZ3 3.98Å; E411-W422 HydrophobicContact CG-CZ3 4.08Å; V414-W422 HydrophobicContact CG1-CB 4.14Å; V414-W422 HydrophobicContact CG1-CD2 4.48Å; V414-W422 HydrophobicContact CG1-CG 4.13Å; V414-W422 HydrophobicContact CG2-CD2 3.86Å; V414-W422 HydrophobicContact CG2-CE3 4.44Å; V414-W422 HydrophobicContact CG2-CG 4.1Å; V414-W422 HydrophobicContact CG2-CH2 4.42Å; V414-W422 HydrophobicContact CG2-CZ2 3.79Å; L418-W422 WeakPolarHBondContact O-CB 3.47Å; L418-W422 PolarHBondContact O-N 2.73Å; W422-A424 VanDerWaalsContact C-N 3.35Å; W422-E425 PolarHBondContact O-N 3.37Å; W422-K426 HydrophobicContact CD2-CD 4.11Å; W422-K426 HydrophobicContact CD2-CG 4.25Å; W422-K426 HydrophobicContact CE3-CD 4.36Å; W422-K426 HydrophobicContact CH2-CD 3.7Å; W422-K426 HydrophobicContact CZ2-CD 3.43Å; W422-K426 VanDerWaalsContact CZ2-CD 3.43Å; W422-K426 HydrophobicContact CZ2-CG 4.38Å; W422-K426 HydrophobicContact CZ3-CD 4.15Å; W422-K426 WeakPolarHBondContact O-CB 3.45Å; W422-K426 PolarHBondContact O-N 3.26Å
423	R	85.9	Confident	81.2	Confident	107 Å²	107	76 Å²	76	40%	0.404	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-43.7	174.6	-81.7	-174.3	-73.2	177.1	-6.1	110.9	E411 R419 D420 K426 E427	E411-R423 IonicContact OE1-NE 3.45Å; R419-R423 VanDerWaalsContact O-CB 3.24Å; R419-R423 WeakPolarHBondContact O-CB 3.39Å; R419-R423 VanDerWaalsContact O-CG 3.23Å; R419-R423 WeakPolarHBondContact O-CG 3.49Å; R419-R423 PolarHBondContact O-N 2.87Å; R419-R423 PolarHBondContact O-NE 3.42Å; D420-R423 PolarHBondContact O-N 2.79Å; D420-R423 IonicContact OD1-CZ 3.99Å; D420-R423 IonicContact OD1-NE 3.94Å; D420-R423 IonicContact OD1-NH2 3.41Å; D420-R423 PolarHBondContact OD1-NH2 2.9Å; R423-K426 PolarHBondContact O-N 3.24Å; R423-E427 VanDerWaalsContact O-CB 3.31Å; R423-E427 WeakPolarHBondContact O-CB 3.29Å; R423-E427 VanDerWaalsContact O-CG 3.29Å; R423-E427 WeakPolarHBondContact O-CG 3.33Å; R423-E427 PolarHBondContact O-N 2.82Å
424	A	83.3	Confident	79.2	Confident	50 Å²	50	80.5 Å²	80.5	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-43.6	176.3	0	0	0	0	0	112.1	D420 T421 W422 E427 V428	D420-A424 PolarHBondContact O-N 3.07Å; T421-A424 PolarHBondContact O-N 2.91Å; W422-A424 VanDerWaalsContact C-N 3.35Å; A424-E427 PolarHBondContact O-N 2.89Å; A424-V428 WeakPolarHBondContact O-CG2 3.45Å; A424-V428 PolarHBondContact O-N 3.37Å
425	E	79.3	Confident	76.9	Confident	132 Å²	132	84 Å²	84	62%	0.617	43%	0.426	S	S	*	.	H	α-helix	trans	-63.1	-43.9	175.9	-73.3	175.1	176.3	0	0	112	T421 W422 V428 L429	T421-E425 WeakPolarHBondContact O-CG 3.5Å; T421-E425 PolarHBondContact O-N 3.27Å; W422-E425 PolarHBondContact O-N 3.37Å; E425-V428 PolarHBondContact O-N 3.06Å; E425-L429 PolarHBondContact O-N 3.44Å
426	K	78.8	Confident	74.5	Confident	24 Å²	24	85.4 Å²	85.4	10%	0.104	45%	0.445	C	S	.	.	H	α-helix	trans	-68.3	-35.1	175.8	-78.8	-153.4	170	-175.4	0	113.3	D406 L407 T409 W422 R423 L429 N430	D406-K426 PolarHBondContact O-NZ 3.05Å; L407-K426 VanDerWaalsContact C-NZ 3.28Å; L407-K426 PolarHBondContact O-NZ 3Å; T409-K426 PolarHBondContact O-NZ 3.37Å; W422-K426 HydrophobicContact CD2-CD 4.11Å; W422-K426 HydrophobicContact CD2-CG 4.25Å; W422-K426 HydrophobicContact CE3-CD 4.36Å; W422-K426 HydrophobicContact CH2-CD 3.7Å; W422-K426 HydrophobicContact CZ2-CD 3.43Å; W422-K426 VanDerWaalsContact CZ2-CD 3.43Å; W422-K426 HydrophobicContact CZ2-CG 4.38Å; W422-K426 HydrophobicContact CZ3-CD 4.15Å; W422-K426 WeakPolarHBondContact O-CB 3.45Å; W422-K426 PolarHBondContact O-N 3.26Å; R423-K426 PolarHBondContact O-N 3.24Å; K426-L429 PolarHBondContact O-N 2.94Å; K426-N430 WeakPolarHBondContact O-CB 3.47Å; K426-N430 PolarHBondContact O-N 3.35Å
427	E	80.2	Confident	71.7	Confident	125 Å²	125	85.6 Å²	85.6	58%	0.584	45%	0.446	S	S	*	.	H	α-helix	trans	-63.3	-44.6	173.8	-81.6	176.4	178.1	0	0	110.1	R423 A424 L429 N430 E431	R423-E427 VanDerWaalsContact O-CB 3.31Å; R423-E427 WeakPolarHBondContact O-CB 3.29Å; R423-E427 VanDerWaalsContact O-CG 3.29Å; R423-E427 WeakPolarHBondContact O-CG 3.33Å; R423-E427 PolarHBondContact O-N 2.82Å; A424-E427 PolarHBondContact O-N 2.89Å; E427-L429 VanDerWaalsContact C-N 3.34Å; E427-L429 PolarHBondContact O-N 3.48Å; E427-N430 PolarHBondContact O-N 3.42Å; E427-E431 VanDerWaalsContact O-CB 3.28Å; E427-E431 WeakPolarHBondContact O-CB 3.18Å; E427-E431 VanDerWaalsContact O-CG 3.28Å; E427-E431 WeakPolarHBondContact O-CG 3.3Å; E427-E431 PolarHBondContact O-N 3.46Å
428	V	74.9	Confident	68.9	Low	75 Å²	75	86.4 Å²	86.4	46%	0.455	44%	0.444	S	S	.	.	H	α-helix	trans	-60.7	-42.8	174.3	171.8	0	0	0	0	111.4	A424 E425 E431 K432	A424-V428 WeakPolarHBondContact O-CG2 3.45Å; A424-V428 PolarHBondContact O-N 3.37Å; E425-V428 PolarHBondContact O-N 3.06Å; V428-E431 PolarHBondContact O-N 3.2Å; V428-K432 WeakPolarHBondContact O-CG 3.27Å; V428-K432 PolarHBondContact O-N 2.05Å
429	L	67.6	Low	66.4	Low	43 Å²	43	93 Å²	93	23%	0.225	47%	0.473	C	S	.	.	H	α-helix	trans	-70	-40.3	179.5	-164.3	59.3	0	0	0	112.2	L407 E425 K426 E427 K432 L433	L407-L429 HydrophobicContact CD1-CD2 4.31Å; L407-L429 HydrophobicContact CD1-CG 4.39Å; L407-L429 HydrophobicContact CD2-CB 3.89Å; L407-L429 HydrophobicContact CD2-CD2 3.42Å; L407-L429 VanDerWaalsContact CD2-CD2 3.42Å; L407-L429 HydrophobicContact CD2-CG 3.66Å; L407-L429 HydrophobicContact CG-CD2 3.79Å; L407-L429 HydrophobicContact CG-CG 4.26Å; E425-L429 PolarHBondContact O-N 3.44Å; K426-L429 PolarHBondContact O-N 2.94Å; E427-L429 VanDerWaalsContact C-N 3.34Å; E427-L429 PolarHBondContact O-N 3.48Å; L429-K432 HydrophobicContact CD1-CD 4.34Å; L429-K432 WeakPolarHBondContact O-CB 3.35Å; L429-K432 PolarHBondContact O-N 2.82Å; L429-L433 PolarHBondContact O-N 2.87Å
430	N	69.9	Low	64.3	Low	57 Å²	57	97 Å²	97	31%	0.305	50%	0.504	S	S	.	.	H	α-helix	trans	-68.8	-31.6	173.4	-82.2	-23.3	0	0	0	112.7	K426 E427 L433 K434	K426-N430 WeakPolarHBondContact O-CB 3.47Å; K426-N430 PolarHBondContact O-N 3.35Å; E427-N430 PolarHBondContact O-N 3.42Å; N430-L433 PolarHBondContact O-N 2.95Å; N430-K434 VanDerWaalsContact O-CB 3.28Å; N430-K434 WeakPolarHBondContact O-CB 3.25Å; N430-K434 VanDerWaalsContact O-CG 3.25Å; N430-K434 WeakPolarHBondContact O-CG 3.32Å; N430-K434 PolarHBondContact O-N 2.05Å
431	E	67.6	Low	62.5	Low	137 Å²	137	94.4 Å²	94.4	64%	0.64	49%	0.489	S	S	*	.	H	α-helix	trans	-67.2	-40.6	171.3	-80.6	-173.4	165.7	0	0	110.5	E427 V428 L433 K434 A435	E427-E431 VanDerWaalsContact O-CB 3.28Å; E427-E431 WeakPolarHBondContact O-CB 3.18Å; E427-E431 VanDerWaalsContact O-CG 3.28Å; E427-E431 WeakPolarHBondContact O-CG 3.3Å; E427-E431 PolarHBondContact O-N 3.46Å; V428-E431 PolarHBondContact O-N 3.2Å; E431-L433 VanDerWaalsContact C-N 3.32Å; E431-L433 PolarHBondContact O-N 3.44Å; E431-K434 PolarHBondContact O-N 2.9Å; E431-A435 WeakPolarHBondContact O-CB 3.17Å; E431-A435 PolarHBondContact O-N 3.31Å
432	K	62.3	Low	60.8	Low	146 Å²	146	97.9 Å²	97.9	64%	0.635	50%	0.501	S	S	*	.	H	α-helix	trans	-60.5	-40.4	171.2	-71.4	174	-178.8	-177.4	0	112.2	V428 L429 G436	V428-K432 WeakPolarHBondContact O-CG 3.27Å; V428-K432 PolarHBondContact O-N 2.05Å; L429-K432 HydrophobicContact CD1-CD 4.34Å; L429-K432 WeakPolarHBondContact O-CB 3.35Å; L429-K432 PolarHBondContact O-N 2.82Å; K432-G436 PolarHBondContact O-N 3.05Å
433	L	56.8	Low	59.5	Low	45 Å²	45	97.3 Å²	97.3	24%	0.236	50%	0.5	C	S	.	.	H	α-helix	trans	-70.4	-46	176.1	-84.1	-176.3	0	0	0	113.7	E311 L407 L429 N430 E431 A435 G436 E437	E311-L433 HydrophobicContact CB-CD1 4.25Å; E311-L433 HydrophobicContact CB-CD2 3.8Å; E311-L433 HydrophobicContact CB-CG 4.31Å; E311-L433 HydrophobicContact CG-CD2 4.12Å; E311-L433 HydrophobicContact CG-CG 4.4Å; L407-L433 HydrophobicContact CD1-CD1 3.11Å; L407-L433 HydrophobicContact CD1-CG 4.19Å; L407-L433 HydrophobicContact CG-CD1 4.47Å; L429-L433 PolarHBondContact O-N 2.87Å; N430-L433 PolarHBondContact O-N 2.95Å; E431-L433 VanDerWaalsContact C-N 3.32Å; E431-L433 PolarHBondContact O-N 3.44Å; L433-A435 PolarHBondContact O-N 3.27Å; L433-G436 CarbonylContact O-C 3.59Å; L433-G436 VanDerWaalsContact O-CA 3.28Å; L433-G436 WeakPolarHBondContact O-CA 3.37Å; L433-G436 PolarHBondContact O-N 3.47Å; L433-E437 PolarHBondContact O-N 2.97Å
434	K	51.1	Low	58.2	Low	122 Å²	122	96.9 Å²	96.9	53%	0.53	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-30.1	176.9	-75.1	172.8	-175.9	170.5	0	111.9	N430 E431 G436 E437 K438	N430-K434 VanDerWaalsContact O-CB 3.28Å; N430-K434 WeakPolarHBondContact O-CB 3.25Å; N430-K434 VanDerWaalsContact O-CG 3.25Å; N430-K434 WeakPolarHBondContact O-CG 3.32Å; N430-K434 PolarHBondContact O-N 2.05Å; E431-K434 PolarHBondContact O-N 2.9Å; K434-G436 PolarHBondContact O-N 3.34Å; K434-E437 PolarHBondContact O-N 3.48Å; K434-K438 PolarHBondContact O-N 2.87Å
435	A	44.8	Very low	57.4	Low	74 Å²	74	94.9 Å²	94.9	61%	0.612	49%	0.488	S	S	*	.	H	α-helix	trans	-65.5	-16.9	168.5	0	0	0	0	0	112.8	E431 L433	E431-A435 WeakPolarHBondContact O-CB 3.17Å; E431-A435 PolarHBondContact O-N 3.31Å; L433-A435 PolarHBondContact O-N 3.27Å
436	G	41.2	Very low	56.9	Low	53 Å²	53	89.9 Å²	89.9	55%	0.546	47%	0.472	S	S	.	.	H	α-helix	trans	-99.4	-23.7	172.6	0	0	0	0	0	115.8	K432 L433 K434	K432-G436 PolarHBondContact O-N 3.05Å; L433-G436 CarbonylContact O-C 3.59Å; L433-G436 VanDerWaalsContact O-CA 3.28Å; L433-G436 WeakPolarHBondContact O-CA 3.37Å; L433-G436 PolarHBondContact O-N 3.47Å; K434-G436 PolarHBondContact O-N 3.34Å
437	E	33.3	Very low	56.9	Low	154 Å²	154	88.7 Å²	88.7	72%	0.72	47%	0.467	S	S	*	.	H	α-helix	trans	-106.8	-15.4	-172.6	-83.6	-176.4	167	0	0	116.5	L433 K434	L433-E437 PolarHBondContact O-N 2.97Å; K434-E437 PolarHBondContact O-N 3.48Å
438	K	31	Very low	57	Low	158 Å²	158	88.6 Å²	88.6	69%	0.687	46%	0.462	S	S	*	.	S	Bend	trans	-106.3	113.6	-175.2	-78.6	-168.7	175.2	-171.9	0	115	K434	K434-K438 PolarHBondContact O-N 2.87Å
439	E	36.5	Very low	57.5	Low	174 Å²	174	85.4 Å²	85.4	81%	0.813	44%	0.444	S	S	*	.	S	Bend	trans	75.2	157.9	156.7	-63.2	-173.3	157.6	0	0	116.1	E441	E439-E441 WeakPolarHBondContact O-CA 3.26Å; E439-E441 PolarHBondContact O-N 3Å
440	V	46.1	Very low	58.3	Low	146 Å²	146	86.1 Å²	86.1	89%	0.885	46%	0.461	S	S	*	.	S	Bend	trans	-33.2	103.1	163.9	177.5	0	0	0	0	108	M442	V440-M442 VanDerWaalsContact C-N 3.33Å; V440-M442 PolarHBondContact O-N 2.71Å
441	E	49.9	Very low	59	Low	56 Å²	56	83.8 Å²	83.8	26%	0.262	45%	0.45	S	S	.	.			trans	-61.5	99.6	-167.6	-92	179.3	-175.7	0	0	108.9	E439 D443 R633 V657	E439-E441 WeakPolarHBondContact O-CA 3.26Å; E439-E441 PolarHBondContact O-N 3Å; E441-D443 PolarHBondContact O-N 3.45Å; E441-R633 IonicContact OE1-CZ 3.93Å; E441-R633 IonicContact OE1-NH1 3.25Å; E441-R633 PolarHBondContact OE1-NH1 3.21Å; E441-R633 IonicContact OE1-NH2 3.16Å; E441-R633 IonicContact OE2-CZ 2.8Å; E441-R633 IonicContact OE2-NE 3.41Å; E441-R633 IonicContact OE2-NH1 3.79Å; E441-R633 PolarHBondContact OE2-NH1 2.64Å; E441-V657 HydrophobicContact CB-CG1 4.2Å; E441-V657 WeakPolarHBondContact O-CG1 3.32Å
442	M	49.2	Very low	60	Low	155 Å²	155	81.6 Å²	81.6	76%	0.764	45%	0.448	S	S	*	.			trans	-72.7	123.7	168.7	-163.8	176.1	76.2	0	0	105.3	V440 D444	V440-M442 VanDerWaalsContact C-N 3.33Å; V440-M442 PolarHBondContact O-N 2.71Å; M442-D444 PolarHBondContact O-N 3.39Å
443	D	60.2	Low	61.4	Low	11 Å²	11	76.4 Å²	76.4	6%	0.059	43%	0.429	C	S	.	.			trans	-47.3	109.6	-178.8	-175.4	-4.8	0	0	0	111.9	E441 S445 N471 S653 V657	E441-D443 PolarHBondContact O-N 3.45Å; D443-S445 PolarHBondContact O-N 2.82Å; D443-S445 WeakPolarHBondContact OD1-CB 3.46Å; D443-S445 PolarHBondContact OD1-N 2.98Å; D443-S445 PolarHBondContact OD1-OG 2.88Å; D443-S445 PolarHBondContact OD2-OG 3.01Å; D443-S445 VanDerWaalsContact OD2-OG 3.06Å; D443-N471 HydrophobicContact CB-CB 4.45Å; D443-N471 VanDerWaalsContact CB-ND2 3.31Å; D443-N471 WeakPolarHBondContact CB-ND2 3.32Å; D443-N471 WeakPolarHBondContact OD2-CB 3.07Å; D443-N471 VanDerWaalsContact OD2-CG 3.29Å; D443-N471 PolarHBondContact OD2-ND2 3.14Å; D443-S653 WeakPolarHBondContact OD2-CB 3.4Å; D443-S653 PolarHBondContact OD2-OG 2.97Å; D443-V657 HydrophobicContact CB-CG2 4.05Å
444	D	58.3	Low	62.6	Low	98 Å²	98	78 Å²	78	52%	0.524	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0	-178	80.4	-28.9	0	0	0	113.1	M442 G446 R603	M442-D444 PolarHBondContact O-N 3.39Å; D444-G446 PolarHBondContact O-N 2.89Å; D444-R603 IonicContact OD1-CZ 2.67Å; D444-R603 IonicContact OD1-NH1 3.77Å; D444-R603 IonicContact OD1-NH2 3.57Å; D444-R603 PolarHBondContact OD1-NH2 3.1Å; D444-R603 IonicContact OD2-CZ 3.72Å; D444-R603 IonicContact OD2-NH1 2.96Å; D444-R603 PolarHBondContact OD2-NH1 3.26Å; D444-R603 IonicContact OD2-NH2 3.54Å; D444-R603 PolarHBondContact OD2-NH2 2.91Å
445	S	66.9	Low	64.3	Low	8 Å²	8	75.1 Å²	75.1	6%	0.056	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.5	-177.2	61.3	0	0	0	0	113.7	D443 F447 K679	D443-S445 PolarHBondContact O-N 2.82Å; D443-S445 WeakPolarHBondContact OD1-CB 3.46Å; D443-S445 PolarHBondContact OD1-N 2.98Å; D443-S445 PolarHBondContact OD1-OG 2.88Å; D443-S445 PolarHBondContact OD2-OG 3.01Å; D443-S445 VanDerWaalsContact OD2-OG 3.06Å; S445-F447 PolarHBondContact O-N 2.86Å; S445-F447 WeakPolarHBondContact OG-CD2 3.39Å; S445-F447 PolarHBondContact OG-N 3.07Å; S445-K679 PolarHBondContact O-NZ 3.23Å
446	G	68.7	Low	66.3	Low	26 Å²	26	78.6 Å²	78.6	27%	0.268	44%	0.444	S	S	.	.	S	Bend	trans	73.8	11.5	-173.3	0	0	0	0	0	112.6	D444	D444-G446 PolarHBondContact O-N 2.89Å
447	F	78.6	Confident	68.6	Low	0 Å²	0	78.9 Å²	78.9	0%	0	45%	0.447	C	S	.	.			trans	-89.4	147.9	166.4	-63.6	-63.2	0	0	0	110.3	S445 N471 F554 S556 L560 D612 L613	S445-F447 PolarHBondContact O-N 2.86Å; S445-F447 WeakPolarHBondContact OG-CD2 3.39Å; S445-F447 PolarHBondContact OG-N 3.07Å; F447-N471 PolarHBondContact O-ND2 3.4Å; F447-F554 WeakPolarHBondContact CA-O 3.42Å; F447-F554 HydrophobicContact CB-CB 3.97Å; F447-F554 HydrophobicContact CB-CD1 4.29Å; F447-F554 HydrophobicContact CB-CG 4.4Å; F447-F554 HydrophobicContact CD1-CB 3.82Å; F447-F554 HydrophobicContact CG-CB 4.15Å; F447-S556 VanDerWaalsContact CD1-CB 3.44Å; F447-L560 HydrophobicContact CE1-CD1 4.19Å; F447-L560 HydrophobicContact CZ-CD1 4.12Å; F447-D612 HydrophobicContact CE2-CB 3.64Å; F447-D612 VanDerWaalsContact CE2-O 3.28Å; F447-D612 WeakPolarHBondContact CE2-O 3.35Å; F447-D612 HydrophobicContact CZ-CB 3.81Å; F447-L613 HydrophobicContact CD2-CD1 3.99Å; F447-L613 HydrophobicContact CE2-CB 3.95Å; F447-L613 HydrophobicContact CE2-CD1 4.13Å; F447-L613 HydrophobicContact CG-CD1 4.26Å; F447-L613 HydrophobicContact CZ-CB 3.88Å; F447-L613 HydrophobicContact CZ-CD1 4.43Å
448	Y	82.4	Confident	71.5	Confident	122 Å²	122	72.2 Å²	72.2	48%	0.478	42%	0.416	S	S	.	.			trans	-139.1	110.7	176.1	-56.4	-88.4	0	0	0	109.6	F554 R555	Y448-F554 PolarHBondContact N-O 2.95Å; Y448-F554 CarbonylContact O-C 3.58Å; Y448-F554 WeakPolarHBondContact O-CA 3.02Å; Y448-R555 VanDerWaalsContact CB-CZ 3.41Å; Y448-R555 PolarHBondContact O-NE 3.01Å
449	A	85.1	Confident	74.6	Confident	9 Å²	9	68.7 Å²	68.7	7%	0.074	41%	0.408	C	S	.	.	S	Bend	trans	-58.4	162.3	176.9	0	0	0	0	0	112.8	N471 Y553 F554 R555	A449-N471 WeakPolarHBondContact CB-OD1 3.38Å; A449-N471 PolarHBondContact N-OD1 2.75Å; A449-Y553 HydrophobicContact CB-CE1 3.67Å; A449-F554 HydrophobicContact CB-CD1 4.23Å; A449-F554 HydrophobicContact CB-CE1 4.09Å; A449-R555 PolarHBondContact O-NH2 3.24Å
450	G	83.9	Confident	77.5	Confident	58 Å²	58	64.3 Å²	64.3	60%	0.598	39%	0.39	S	S	*	.			trans	91.5	13.6	177.7	0	0	0	0	0	115	Y553	G450-Y553 PolarHBondContact N-O 2.92Å
451	G	85.8	Confident	79.8	Confident	7 Å²	7	59.9 Å²	59.9	7%	0.072	37%	0.365	C	S	.	.			trans	-71.2	167.2	167.8	0	0	0	0	0	113	S552 Y553	G451-S552 WeakPolarHBondContact CA-O 3.08Å; G451-Y553 VanDerWaalsContact CA-O 3.3Å; G451-Y553 WeakPolarHBondContact CA-O 3.47Å; G451-Y553 PolarHBondContact N-O 2.8Å; G451-Y553 WeakPolarHBondContact O-CD2 3.22Å
452	P	87.8	Confident	82	Confident	92 Å²	92	59.8 Å²	59.8	60%	0.597	37%	0.365	S	S	*	.			trans	-70.3	153.1	-178.1	28.6	-32.6	0	0	0	111.8	P454 S552	P452-P454 WeakPolarHBondContact O-CD 3.42Å; P452-S552 WeakPolarHBondContact O-CB 3.31Å; P452-S552 PolarHBondContact O-OG 2.94Å
453	V	91.1	Very high	84.1	Confident	36 Å²	36	55.2 Å²	55.2	22%	0.218	34%	0.344	C	S	.	.			trans	-103.4	101.2	172.3	-179.5	0	0	0	0	108	Q455 V458 I460 L475 L549 Y553	V453-Q455 PolarHBondContact O-N 3.01Å; V453-V458 HydrophobicContact CG1-CB 3.86Å; V453-V458 HydrophobicContact CG1-CG1 3.71Å; V453-I460 HydrophobicContact CG2-CD1 4.05Å; V453-I460 HydrophobicContact CG2-CG1 3.86Å; V453-L475 HydrophobicContact CG2-CD2 4.17Å; V453-L549 HydrophobicContact CG1-CD2 3.71Å; V453-Y553 HydrophobicContact CG2-CD2 4.26Å
454	P	82.7	Confident	85.5	Confident	80 Å²	80	56.5 Å²	56.5	52%	0.519	35%	0.351	S	S	.	.			trans	-80.6	6.6	-166.2	32	-36.7	0	0	0	114.4	P452 T548	P452-P454 WeakPolarHBondContact O-CD 3.42Å; P454-T548 HydrophobicContact CG-CG2 4.32Å
455	Q	87.8	Confident	87	Confident	60 Å²	60	57.7 Å²	57.7	28%	0.28	36%	0.357	S	S	.	.	S	Bend	trans	-110.7	125.3	-174	-170.4	170.1	-3.4	0	0	112	V453 G457 V458 R545 L549	V453-Q455 PolarHBondContact O-N 3.01Å; Q455-G457 PolarHBondContact O-N 3.46Å; Q455-V458 HydrophobicContact CB-CB 4.35Å; Q455-V458 HydrophobicContact CB-CG2 3.83Å; Q455-V458 HydrophobicContact CG-CG2 3.81Å; Q455-V458 PolarHBondContact O-N 3.36Å; Q455-R545 VanDerWaalsContact NE2-CD 3.34Å; Q455-L549 HydrophobicContact CB-CD2 3.8Å
456	V	86.9	Confident	88.1	Confident	148 Å²	148	60 Å²	60	90%	0.897	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	131.4	176.1	-177.7	0	0	0	0	109.9
457	G	88.1	Confident	89.3	Confident	59 Å²	59	58.8 Å²	58.8	61%	0.608	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-10.2	-179	0	0	0	0	0	114.7	Q455	Q455-G457 PolarHBondContact O-N 3.46Å
458	V	95.6	Very high	89.8	Confident	13 Å²	13	64.3 Å²	64.3	8%	0.079	39%	0.39	C	S	.	.			trans	-93.5	133.5	174.1	-175	0	0	0	0	110	V453 Q455 L475 D476 V478 L549	V453-V458 HydrophobicContact CG1-CB 3.86Å; V453-V458 HydrophobicContact CG1-CG1 3.71Å; Q455-V458 HydrophobicContact CB-CB 4.35Å; Q455-V458 HydrophobicContact CB-CG2 3.83Å; Q455-V458 HydrophobicContact CG-CG2 3.81Å; Q455-V458 PolarHBondContact O-N 3.36Å; V458-L475 HydrophobicContact CG1-CB 3.9Å; V458-L475 HydrophobicContact CG1-CD1 4.21Å; V458-D476 CarbonylContact C-O 3.2Å; V458-D476 VanDerWaalsContact CA-O 3.29Å; V458-D476 WeakPolarHBondContact CA-O 3.47Å; V458-V478 HydrophobicContact CG1-CG2 3.97Å; V458-V478 HydrophobicContact CG2-CG2 4.42Å; V458-L549 HydrophobicContact CB-CD2 4.45Å; V458-L549 HydrophobicContact CG1-CD1 4.41Å; V458-L549 HydrophobicContact CG1-CD2 4.2Å; V458-L549 HydrophobicContact CG2-CD1 4.47Å; V458-L549 HydrophobicContact CG2-CD2 4.37Å
459	T	95.3	Very high	90	Very high	84 Å²	84	59.7 Å²	59.7	52%	0.515	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.2	-179.4	58.5	0	0	0	0	111.9	S461 L475 D476	T459-S461 PolarHBondContact O-N 2.95Å; T459-L475 CarbonylContact O-C 3.34Å; T459-L475 VanDerWaalsContact O-CA 3.3Å; T459-L475 WeakPolarHBondContact O-CA 3.24Å; T459-D476 PolarHBondContact N-O 3.5Å; T459-D476 PolarHBondContact O-N 3.46Å
460	I	96.3	Very high	90	Very high	83 Å²	83	62 Å²	62	43%	0.426	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	112.2	171.8	-57.8	161.8	0	0	0	107.6	V453 D463 V473 L475 Y553	V453-I460 HydrophobicContact CG2-CD1 4.05Å; V453-I460 HydrophobicContact CG2-CG1 3.86Å; I460-D463 HydrophobicContact CG2-CB 4.23Å; I460-V473 HydrophobicContact CG2-CG2 4.02Å; I460-L475 HydrophobicContact CB-CD2 4.15Å; I460-L475 HydrophobicContact CG1-CD2 3.57Å; I460-Y553 HydrophobicContact CD1-CD2 4.26Å; I460-Y553 HydrophobicContact CD1-CE2 3.76Å; I460-Y553 HydrophobicContact CG1-CE2 4.23Å
461	S	96	Very high	90.3	Very high	52 Å²	52	60 Å²	60	36%	0.364	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-36.2	178.6	-62	0	0	0	0	111.9	T459 V474 D476	T459-S461 PolarHBondContact O-N 2.95Å; S461-V474 PolarHBondContact N-O 2.88Å; S461-D476 VanDerWaalsContact OG-CB 3.32Å; S461-D476 WeakPolarHBondContact OG-CB 3.3Å; S461-D476 PolarHBondContact OG-OD2 2.95Å
462	M	95.9	Very high	90.7	Very high	54 Å²	54	59.8 Å²	59.8	27%	0.266	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	123.5	174.4	-56.2	178.4	74.6	0	0	108.4	S466 L467 V473 V474	M462-S466 WeakPolarHBondContact CA-OG 3.46Å; M462-S466 VanDerWaalsContact CB-OG 3.28Å; M462-S466 WeakPolarHBondContact CB-OG 3.29Å; M462-L467 HydrophobicContact CB-CD1 4.22Å; M462-L467 HydrophobicContact CB-CD2 4.1Å; M462-L467 HydrophobicContact CB-CG 3.9Å; M462-L467 HydrophobicContact CE-CD2 3.47Å; M462-L467 VanDerWaalsContact CE-CD2 3.47Å; M462-L467 HydrophobicContact CE-CG 4.16Å; M462-L467 HydrophobicContact SD-CD2 3.91Å; M462-V473 CarbonylContact O-C 3.57Å; M462-V473 WeakPolarHBondContact O-CA 3.14Å; M462-V474 HydrophobicContact CB-CB 3.89Å; M462-V474 HydrophobicContact CB-CG2 3.97Å; M462-V474 HydrophobicContact CG-CB 4.28Å; M462-V474 HydrophobicContact CG-CG2 4.36Å; M462-V474 PolarHBondContact N-O 2.97Å; M462-V474 PolarHBondContact O-N 3.22Å; M462-V474 HydrophobicContact SD-CG2 4.18Å
463	D	93.3	Very high	91.1	Very high	60 Å²	60	55.4 Å²	55.4	32%	0.321	34%	0.337	S	S	.	.			trans	-89	-179.9	169.8	64.6	3.1	0	0	0	111.4	I460 N465 S466 L467	I460-D463 HydrophobicContact CG2-CB 4.23Å; D463-N465 VanDerWaalsContact C-N 3.33Å; D463-N465 PolarHBondContact O-N 3.16Å; D463-S466 PolarHBondContact N-OG 3.24Å; D463-S466 PolarHBondContact O-N 2.92Å; D463-S466 PolarHBondContact O-OG 3.3Å; D463-S466 VanDerWaalsContact OD1-CB 3.27Å; D463-S466 WeakPolarHBondContact OD1-CB 3.23Å; D463-S466 PolarHBondContact OD1-N 3.45Å; D463-S466 PolarHBondContact OD1-OG 2.79Å; D463-L467 WeakPolarHBondContact O-CB 3.45Å; D463-L467 WeakPolarHBondContact O-CD1 3.02Å; D463-L467 VanDerWaalsContact O-CG 3.3Å; D463-L467 WeakPolarHBondContact O-CG 3.46Å; D463-L467 PolarHBondContact O-N 3.01Å
464	D	89.3	Confident	91.4	Very high	38 Å²	38	53.7 Å²	53.7	20%	0.203	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-41.8	-179.6	56.1	-15.6	0	0	0	112.5	L467 N468 G469 R472	D464-L467 CarbonylContact O-C 3.56Å; D464-L467 PolarHBondContact O-N 3.34Å; D464-N468 PolarHBondContact O-N 3.35Å; D464-N468 VanDerWaalsContact O-N 3.16Å; D464-G469 CarbonylContact C-O 3.56Å; D464-G469 WeakPolarHBondContact CB-O 3.32Å; D464-G469 PolarHBondContact O-N 3.28Å; D464-R472 WeakPolarHBondContact CA-O 3.32Å; D464-R472 PolarHBondContact N-O 3.43Å
465	N	88.5	Confident	92.2	Very high	122 Å²	122	49.9 Å²	49.9	65%	0.652	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-50.7	174.7	-65.2	-52.7	0	0	0	112.1	D463 L467 N468	D463-N465 VanDerWaalsContact C-N 3.33Å; D463-N465 PolarHBondContact O-N 3.16Å; N465-L467 PolarHBondContact O-N 2.79Å; N465-N468 PolarHBondContact O-N 2.86Å
466	S	91.5	Very high	92.7	Very high	57 Å²	57	48.7 Å²	48.7	40%	0.399	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.3	179.5	68.6	0	0	0	0	113.2	M462 D463	M462-S466 WeakPolarHBondContact CA-OG 3.46Å; M462-S466 VanDerWaalsContact CB-OG 3.28Å; M462-S466 WeakPolarHBondContact CB-OG 3.29Å; D463-S466 PolarHBondContact N-OG 3.24Å; D463-S466 PolarHBondContact O-N 2.92Å; D463-S466 PolarHBondContact O-OG 3.3Å; D463-S466 VanDerWaalsContact OD1-CB 3.27Å; D463-S466 WeakPolarHBondContact OD1-CB 3.23Å; D463-S466 PolarHBondContact OD1-N 3.45Å; D463-S466 PolarHBondContact OD1-OG 2.79Å
467	L	92.6	Very high	93.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.4	174.5	-67.8	164.1	0	0	0	112.6	M462 D463 D464 N465 G469 R472 V474 A640 V642	M462-L467 HydrophobicContact CB-CD1 4.22Å; M462-L467 HydrophobicContact CB-CD2 4.1Å; M462-L467 HydrophobicContact CB-CG 3.9Å; M462-L467 HydrophobicContact CE-CD2 3.47Å; M462-L467 VanDerWaalsContact CE-CD2 3.47Å; M462-L467 HydrophobicContact CE-CG 4.16Å; M462-L467 HydrophobicContact SD-CD2 3.91Å; D463-L467 WeakPolarHBondContact O-CB 3.45Å; D463-L467 WeakPolarHBondContact O-CD1 3.02Å; D463-L467 VanDerWaalsContact O-CG 3.3Å; D463-L467 WeakPolarHBondContact O-CG 3.46Å; D463-L467 PolarHBondContact O-N 3.01Å; D464-L467 CarbonylContact O-C 3.56Å; D464-L467 PolarHBondContact O-N 3.34Å; N465-L467 PolarHBondContact O-N 2.79Å; L467-G469 VanDerWaalsContact C-N 3.34Å; L467-G469 PolarHBondContact O-N 3.06Å; L467-R472 HydrophobicContact CB-CG 3.91Å; L467-R472 VanDerWaalsContact CB-NE 3.34Å; L467-R472 HydrophobicContact CD1-CB 4.1Å; L467-R472 HydrophobicContact CD1-CG 3.74Å; L467-R472 HydrophobicContact CG-CG 4.48Å; L467-R472 VanDerWaalsContact O-CZ 3.23Å; L467-R472 PolarHBondContact O-NE 3.38Å; L467-R472 VanDerWaalsContact O-NE 3.12Å; L467-R472 PolarHBondContact O-NH2 2.89Å; L467-V474 HydrophobicContact CD1-CG2 4.18Å; L467-V474 HydrophobicContact CD2-CG2 4.26Å; L467-A640 HydrophobicContact CB-CB 4.25Å; L467-A640 HydrophobicContact CD2-CB 3.96Å; L467-A640 WeakPolarHBondContact O-CB 3.46Å; L467-V642 HydrophobicContact CD2-CG2 3.97Å
468	N	89.6	Confident	93.5	Very high	117 Å²	117	40.7 Å²	40.7	63%	0.626	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	43.2	-177.5	-63.6	-34.3	0	0	0	114.3	D464 N465 R472 T639	D464-N468 PolarHBondContact O-N 3.35Å; D464-N468 VanDerWaalsContact O-N 3.16Å; N465-N468 PolarHBondContact O-N 2.86Å; N468-R472 PolarHBondContact O-NH2 3.36Å; N468-T639 PolarHBondContact ND2-O 3.32Å
469	G	86.1	Confident	93.6	Very high	25 Å²	25	40.5 Å²	40.5	26%	0.258	24%	0.243	S	C	.	.	S	Bend	trans	-163.7	-172.3	174.9	0	0	0	0	0	112.4	D464 L467 R472	D464-G469 CarbonylContact C-O 3.56Å; D464-G469 WeakPolarHBondContact CB-O 3.32Å; D464-G469 PolarHBondContact O-N 3.28Å; L467-G469 VanDerWaalsContact C-N 3.34Å; L467-G469 PolarHBondContact O-N 3.06Å; G469-R472 VanDerWaalsContact CA-CZ 3.5Å
470	T	86.1	Confident	93.6	Very high	57 Å²	57	40.6 Å²	40.6	35%	0.35	24%	0.241	S	C	.	.	S	Bend	trans	-107.6	144.2	-176.2	50.9	0	0	0	0	111.3	R472 V657 N658	T470-R472 VanDerWaalsContact C-N 3.32Å; T470-R472 PolarHBondContact O-N 3.32Å; T470-V657 WeakPolarHBondContact OG1-CB 3.28Å; T470-N658 PolarHBondContact O-ND2 2.95Å; T470-N658 VanDerWaalsContact O-ND2 3.1Å
471	N	89.8	Confident	93.6	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.08	24%	0.243	C	C	.	.	S	Bend	trans	48.8	49.9	173	-75.3	-25.7	0	0	0	114.4	D443 F447 A449 F554 F652 S653	D443-N471 HydrophobicContact CB-CB 4.45Å; D443-N471 VanDerWaalsContact CB-ND2 3.31Å; D443-N471 WeakPolarHBondContact CB-ND2 3.32Å; D443-N471 WeakPolarHBondContact OD2-CB 3.07Å; D443-N471 VanDerWaalsContact OD2-CG 3.29Å; D443-N471 PolarHBondContact OD2-ND2 3.14Å; F447-N471 PolarHBondContact O-ND2 3.4Å; A449-N471 WeakPolarHBondContact CB-OD1 3.38Å; A449-N471 PolarHBondContact N-OD1 2.75Å; N471-F554 VanDerWaalsContact C-CE1 3.4Å; N471-F554 HydrophobicContact CB-CD1 4.36Å; N471-F554 HydrophobicContact CB-CE1 4Å; N471-F554 VanDerWaalsContact O-CE1 3.28Å; N471-F554 WeakPolarHBondContact O-CE1 3.39Å; N471-F554 WeakPolarHBondContact O-CZ 3.44Å; N471-F652 VanDerWaalsContact O-CA 3.25Å; N471-F652 WeakPolarHBondContact O-CA 3.45Å; N471-S653 PolarHBondContact O-N 2.81Å; N471-S653 VanDerWaalsContact O-N 3.13Å
472	R	93.8	Very high	93.7	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.011	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.9	170.3	54.4	174.7	172	-138.8	19.9	111.3	D464 L467 N468 G469 T470 F630 T639 G651 F652 N658	D464-R472 WeakPolarHBondContact CA-O 3.32Å; D464-R472 PolarHBondContact N-O 3.43Å; L467-R472 HydrophobicContact CB-CG 3.91Å; L467-R472 VanDerWaalsContact CB-NE 3.34Å; L467-R472 HydrophobicContact CD1-CB 4.1Å; L467-R472 HydrophobicContact CD1-CG 3.74Å; L467-R472 HydrophobicContact CG-CG 4.48Å; L467-R472 VanDerWaalsContact O-CZ 3.23Å; L467-R472 PolarHBondContact O-NE 3.38Å; L467-R472 VanDerWaalsContact O-NE 3.12Å; L467-R472 PolarHBondContact O-NH2 2.89Å; N468-R472 PolarHBondContact O-NH2 3.36Å; G469-R472 VanDerWaalsContact CA-CZ 3.5Å; T470-R472 VanDerWaalsContact C-N 3.32Å; T470-R472 PolarHBondContact O-N 3.32Å; R472-F630 HydrophobicContact CB-CZ 4.39Å; R472-T639 PolarHBondContact NH2-OG1 3.35Å; R472-G651 CarbonylContact C-O 3.48Å; R472-G651 VanDerWaalsContact CA-O 3.28Å; R472-G651 WeakPolarHBondContact CA-O 3.48Å; R472-F652 HydrophobicContact CB-CB 3.75Å; R472-N658 WeakPolarHBondContact CD-OD1 3.46Å; R472-N658 PolarHBondContact NH1-OD1 2.82Å
473	V	97	Very high	93.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	148.5	-176.7	67.9	0	0	0	0	111.4	I460 M462 L475 L550 Y553 F554 V650 G651	I460-V473 HydrophobicContact CG2-CG2 4.02Å; M462-V473 CarbonylContact O-C 3.57Å; M462-V473 WeakPolarHBondContact O-CA 3.14Å; V473-L475 HydrophobicContact CG1-CG 4.43Å; V473-L475 HydrophobicContact CG2-CD2 3.63Å; V473-L475 HydrophobicContact CG2-CG 4.15Å; V473-L550 HydrophobicContact CG1-CD2 4.27Å; V473-Y553 HydrophobicContact CB-CD1 3.96Å; V473-Y553 HydrophobicContact CB-CE1 3.39Å; V473-Y553 HydrophobicContact CB-CE2 4.5Å; V473-Y553 HydrophobicContact CG1-CD1 3.72Å; V473-Y553 HydrophobicContact CG1-CE1 3.7Å; V473-Y553 HydrophobicContact CG1-CG 4.41Å; V473-Y553 HydrophobicContact CG2-CD1 4.23Å; V473-Y553 HydrophobicContact CG2-CD2 4.4Å; V473-Y553 HydrophobicContact CG2-CE1 3.68Å; V473-Y553 HydrophobicContact CG2-CE2 3.86Å; V473-Y553 VanDerWaalsContact CG2-CZ 3.44Å; V473-F554 HydrophobicContact CG1-CE2 4.04Å; V473-F554 HydrophobicContact CG1-CZ 3.89Å; V473-V650 WeakPolarHBondContact O-CA 3.25Å; V473-G651 PolarHBondContact N-O 3.35Å; V473-G651 PolarHBondContact O-N 2.71Å
474	V	98.3	Very high	94	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.7	165.1	-176.3	0	0	0	0	109.2	S461 M462 L467 V642 R648 L649 V650	S461-V474 PolarHBondContact N-O 2.88Å; M462-V474 HydrophobicContact CB-CB 3.89Å; M462-V474 HydrophobicContact CB-CG2 3.97Å; M462-V474 HydrophobicContact CG-CB 4.28Å; M462-V474 HydrophobicContact CG-CG2 4.36Å; M462-V474 PolarHBondContact N-O 2.97Å; M462-V474 PolarHBondContact O-N 3.22Å; M462-V474 HydrophobicContact SD-CG2 4.18Å; L467-V474 HydrophobicContact CD1-CG2 4.18Å; L467-V474 HydrophobicContact CD2-CG2 4.26Å; V474-V642 HydrophobicContact CG1-CG1 4.25Å; V474-V642 HydrophobicContact CG2-CB 4.5Å; V474-V642 HydrophobicContact CG2-CG1 3.87Å; V474-V642 HydrophobicContact CG2-CG2 3.75Å; V474-R648 HydrophobicContact CG1-CG 3.62Å; V474-L649 CarbonylContact C-O 3.5Å; V474-L649 VanDerWaalsContact CA-O 3.28Å; V474-L649 WeakPolarHBondContact CA-O 3.1Å; V474-V650 HydrophobicContact CG2-CG1 4.46Å; V474-V650 HydrophobicContact CG2-CG2 4.36Å
475	L	98.1	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.5	174.8	-55.1	-177	0	0	0	110.2	V453 V458 T459 I460 V473 V478 L549 R648 L649	V453-L475 HydrophobicContact CG2-CD2 4.17Å; V458-L475 HydrophobicContact CG1-CB 3.9Å; V458-L475 HydrophobicContact CG1-CD1 4.21Å; T459-L475 CarbonylContact O-C 3.34Å; T459-L475 VanDerWaalsContact O-CA 3.3Å; T459-L475 WeakPolarHBondContact O-CA 3.24Å; I460-L475 HydrophobicContact CB-CD2 4.15Å; I460-L475 HydrophobicContact CG1-CD2 3.57Å; V473-L475 HydrophobicContact CG1-CG 4.43Å; V473-L475 HydrophobicContact CG2-CD2 3.63Å; V473-L475 HydrophobicContact CG2-CG 4.15Å; L475-V478 HydrophobicContact CB-CG2 4.13Å; L475-L549 HydrophobicContact CD1-CB 4.17Å; L475-R648 CarbonylContact O-C 3.57Å; L475-R648 WeakPolarHBondContact O-CA 3.28Å; L475-L649 HydrophobicContact CB-CB 4.31Å; L475-L649 HydrophobicContact CD1-CD2 4.23Å; L475-L649 PolarHBondContact N-O 3.38Å; L475-L649 PolarHBondContact O-N 2.76Å
476	D	97.8	Very high	94.8	Very high	35 Å²	35	39.4 Å²	39.4	19%	0.187	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	152.6	174.2	-77.6	-9.7	0	0	0	110.9	V458 T459 S461 R648	V458-D476 CarbonylContact C-O 3.2Å; V458-D476 VanDerWaalsContact CA-O 3.29Å; V458-D476 WeakPolarHBondContact CA-O 3.47Å; T459-D476 PolarHBondContact N-O 3.5Å; T459-D476 PolarHBondContact O-N 3.46Å; S461-D476 VanDerWaalsContact OG-CB 3.32Å; S461-D476 WeakPolarHBondContact OG-CB 3.3Å; S461-D476 PolarHBondContact OG-OD2 2.95Å; D476-R648 VanDerWaalsContact OD1-CB 3.28Å; D476-R648 WeakPolarHBondContact OD1-CB 3.42Å; D476-R648 VanDerWaalsContact OD1-CG 3.23Å; D476-R648 WeakPolarHBondContact OD1-CG 3.11Å; D476-R648 IonicContact OD1-CZ 2.75Å; D476-R648 IonicContact OD1-NE 2.65Å; D476-R648 PolarHBondContact OD1-NE 2.9Å; D476-R648 IonicContact OD1-NH2 3.9Å; D476-R648 IonicContact OD2-CZ 2.69Å; D476-R648 IonicContact OD2-NE 3.92Å; D476-R648 IonicContact OD2-NH2 3.59Å; D476-R648 PolarHBondContact OD2-NH2 3.34Å
477	G	96	Very high	95	Very high	38 Å²	38	36.7 Å²	36.7	39%	0.392	20%	0.202	S	C	.	.			trans	84.4	15.6	179.2	0	0	0	0	0	114.3	L479 G647	G477-L479 PolarHBondContact O-N 3.16Å; G477-G647 PolarHBondContact N-O 3Å
478	V	97.3	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-66.1	-31.1	176.8	179.8	0	0	0	0	111.4	V458 L475 R545 V546 L549 L617 G647 L649	V458-V478 HydrophobicContact CG1-CG2 3.97Å; V458-V478 HydrophobicContact CG2-CG2 4.42Å; L475-V478 HydrophobicContact CB-CG2 4.13Å; V478-R545 HydrophobicContact CG1-CG 4.34Å; V478-R545 WeakPolarHBondContact O-CD 3.48Å; V478-R545 PolarHBondContact O-NH1 3.11Å; V478-V546 HydrophobicContact CG1-CG2 4.4Å; V478-L549 HydrophobicContact CB-CD1 4.38Å; V478-L549 HydrophobicContact CG1-CD1 3.83Å; V478-L549 HydrophobicContact CG2-CD1 3.76Å; V478-L617 HydrophobicContact CB-CD1 3.89Å; V478-L617 HydrophobicContact CG1-CD1 3.87Å; V478-L617 HydrophobicContact CG1-CD2 4.27Å; V478-G647 WeakPolarHBondContact CB-O 2.99Å; V478-G647 PolarHBondContact N-O 3.33Å; V478-L649 HydrophobicContact CB-CB 4.49Å; V478-L649 HydrophobicContact CG2-CB 3.74Å; V478-L649 HydrophobicContact CG2-CD2 4.19Å
479	L	96.9	Very high	95.5	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.052	21%	0.209	C	C	.	.	S	Bend	trans	-128.6	152	172.4	-52.6	174.6	0	0	0	110.2	G477 E483 M542 L617 L619	G477-L479 PolarHBondContact O-N 3.16Å; L479-E483 WeakPolarHBondContact CA-OE2 3.43Å; L479-E483 HydrophobicContact CB-CB 4.28Å; L479-E483 HydrophobicContact CD2-CB 4.49Å; L479-M542 HydrophobicContact CD1-CE 3.33Å; L479-M542 HydrophobicContact CD1-SD 4.13Å; L479-M542 HydrophobicContact CD2-CB 4.44Å; L479-M542 HydrophobicContact CD2-CE 3.85Å; L479-M542 HydrophobicContact CD2-CG 3.58Å; L479-M542 HydrophobicContact CD2-SD 3.83Å; L479-M542 HydrophobicContact CG-CE 4.2Å; L479-L617 HydrophobicContact CD1-CD1 4.3Å; L479-L617 HydrophobicContact CD1-CD2 3.84Å; L479-L617 HydrophobicContact CD1-CG 4.05Å; L479-L617 HydrophobicContact CD2-CD2 4.17Å; L479-L617 HydrophobicContact CG-CD1 4.27Å; L479-L617 HydrophobicContact CG-CD2 4.01Å; L479-L617 HydrophobicContact CG-CG 4.42Å; L479-L619 HydrophobicContact CD1-CD2 3.66Å
480	D	95.7	Very high	96	Very high	86 Å²	86	39.3 Å²	39.3	46%	0.46	20%	0.198	S	C	.	.			trans	-88.4	168.2	164.2	75.7	32.8	0	0	0	112.3	K482 E483 C484	D480-K482 PolarHBondContact O-N 3.01Å; D480-K482 VanDerWaalsContact OD1-CA 3.32Å; D480-K482 WeakPolarHBondContact OD1-CA 3.26Å; D480-K482 VanDerWaalsContact OD1-CB 3.26Å; D480-K482 WeakPolarHBondContact OD1-CB 3.43Å; D480-K482 PolarHBondContact OD1-N 2.76Å; D480-E483 PolarHBondContact N-OE2 3.37Å; D480-E483 VanDerWaalsContact N-OE2 3.15Å; D480-E483 PolarHBondContact O-N 2.79Å; D480-E483 PolarHBondContact OD1-N 3.21Å; D480-C484 PolarHBondContact O-N 2.98Å
481	Q	96.6	Very high	96.4	Very high	101 Å²	101	36.7 Å²	36.7	47%	0.472	18%	0.182	S	C	.	.	H	α-helix	trans	-61.7	-29.2	-179.3	-168.3	62.4	51.1	0	0	112.9	N485	Q481-N485 PolarHBondContact NE2-OD1 3.37Å; Q481-N485 VanDerWaalsContact NE2-OD1 3.1Å; Q481-N485 VanDerWaalsContact O-CB 3.28Å; Q481-N485 WeakPolarHBondContact O-CB 3.32Å; Q481-N485 PolarHBondContact O-N 3.26Å; Q481-N485 PolarHBondContact O-ND2 2.97Å; Q481-N485 PolarHBondContact O-OD1 3.36Å
482	K	97.2	Very high	96.6	Very high	159 Å²	159	40.4 Å²	40.4	69%	0.691	21%	0.205	S	C	*	.	H	α-helix	trans	-73.2	-42	-179.9	-175.8	-172.9	174.8	-169.8	0	110.4	D480 N485 T486	D480-K482 PolarHBondContact O-N 3.01Å; D480-K482 VanDerWaalsContact OD1-CA 3.32Å; D480-K482 WeakPolarHBondContact OD1-CA 3.26Å; D480-K482 VanDerWaalsContact OD1-CB 3.26Å; D480-K482 WeakPolarHBondContact OD1-CB 3.43Å; D480-K482 PolarHBondContact OD1-N 2.76Å; K482-N485 PolarHBondContact O-N 3.06Å; K482-T486 WeakPolarHBondContact O-CB 3.3Å; K482-T486 PolarHBondContact O-N 3.34Å; K482-T486 PolarHBondContact O-OG1 3.43Å
483	E	97.3	Very high	96.6	Very high	35 Å²	35	43.9 Å²	43.9	16%	0.164	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-50.3	173.3	-69.6	179.8	129.9	0	0	110.4	L479 D480 N485 T486 V487 L538 R545	L479-E483 WeakPolarHBondContact CA-OE2 3.43Å; L479-E483 HydrophobicContact CB-CB 4.28Å; L479-E483 HydrophobicContact CD2-CB 4.49Å; D480-E483 PolarHBondContact N-OE2 3.37Å; D480-E483 VanDerWaalsContact N-OE2 3.15Å; D480-E483 PolarHBondContact O-N 2.79Å; D480-E483 PolarHBondContact OD1-N 3.21Å; E483-N485 PolarHBondContact O-N 2.88Å; E483-T486 WeakPolarHBondContact O-CB 3.28Å; E483-T486 PolarHBondContact O-N 3.2Å; E483-T486 VanDerWaalsContact O-N 3.07Å; E483-V487 PolarHBondContact O-N 3.08Å; E483-L538 HydrophobicContact CB-CD2 4.35Å; E483-L538 HydrophobicContact CG-CD1 4.26Å; E483-L538 HydrophobicContact CG-CD2 4.45Å; E483-R545 IonicContact OE1-CZ 2.65Å; E483-R545 IonicContact OE1-NH1 2.69Å; E483-R545 PolarHBondContact OE1-NH1 3.49Å; E483-R545 VanDerWaalsContact OE1-NH1 3.16Å; E483-R545 IonicContact OE1-NH2 3.64Å; E483-R545 PolarHBondContact OE1-NH2 3.1Å; E483-R545 IonicContact OE2-CZ 2.78Å; E483-R545 IonicContact OE2-NH1 3.53Å; E483-R545 PolarHBondContact OE2-NH1 3.27Å; E483-R545 IonicContact OE2-NH2 3.72Å
484	C	97.8	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-52.7	-51.9	173.8	-73.8	0	0	0	0	112	D480 T486 V487 L488 L619 C646	D480-C484 PolarHBondContact O-N 2.98Å; C484-T486 PolarHBondContact O-N 3.23Å; C484-V487 PolarHBondContact O-N 2.94Å; C484-L488 WeakPolarHBondContact O-CB 3.35Å; C484-L488 VanDerWaalsContact O-CG 3.25Å; C484-L488 WeakPolarHBondContact O-CG 3.41Å; C484-L488 PolarHBondContact O-N 3.44Å; C484-L619 VanDerWaalsContact CB-O 3.29Å; C484-L619 WeakPolarHBondContact CB-O 3.3Å; C484-L619 PolarHBondContact SG-O 2.96Å; C484-C646 HydrophobicContact CB-CB 4.01Å; C484-C646 WeakPolarHBondContact CB-SG 3.18Å; C484-C646 WeakPolarHBondContact SG-CB 3.47Å; C484-C646 CovalentContact SG-SG 2.04Å; C484-C646 PolarHBondContact SG-SG 3.16Å
485	N	97.4	Very high	96.1	Very high	63 Å²	63	45 Å²	45	34%	0.337	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-26.7	-179.9	-71.4	-14.9	0	0	0	113.5	Q481 K482 E483 R489	Q481-N485 PolarHBondContact NE2-OD1 3.37Å; Q481-N485 VanDerWaalsContact NE2-OD1 3.1Å; Q481-N485 VanDerWaalsContact O-CB 3.28Å; Q481-N485 WeakPolarHBondContact O-CB 3.32Å; Q481-N485 PolarHBondContact O-N 3.26Å; Q481-N485 PolarHBondContact O-ND2 2.97Å; Q481-N485 PolarHBondContact O-OD1 3.36Å; K482-N485 PolarHBondContact O-N 3.06Å; E483-N485 PolarHBondContact O-N 2.88Å; N485-R489 WeakPolarHBondContact O-CG 3.34Å; N485-R489 PolarHBondContact O-N 3.43Å; N485-R489 PolarHBondContact O-NE 2.88Å
486	T	97.3	Very high	95.8	Very high	26 Å²	26	46.6 Å²	46.6	16%	0.16	26%	0.255	C	S	.	.	H	α-helix	trans	-75	-47.7	177.2	-58.4	0	0	0	0	110	K482 E483 C484 R489 L490 D535 L538	K482-T486 WeakPolarHBondContact O-CB 3.3Å; K482-T486 PolarHBondContact O-N 3.34Å; K482-T486 PolarHBondContact O-OG1 3.43Å; E483-T486 WeakPolarHBondContact O-CB 3.28Å; E483-T486 PolarHBondContact O-N 3.2Å; E483-T486 VanDerWaalsContact O-N 3.07Å; C484-T486 PolarHBondContact O-N 3.23Å; T486-R489 WeakPolarHBondContact O-CB 3.42Å; T486-R489 PolarHBondContact O-N 2.9Å; T486-L490 PolarHBondContact O-N 3.27Å; T486-D535 HydrophobicContact CG2-CB 4.24Å; T486-D535 WeakPolarHBondContact CG2-OD1 3.44Å; T486-L538 HydrophobicContact CG2-CD2 3.92Å
487	V	96.9	Very high	95.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71	-32.6	179.2	-179.3	0	0	0	0	112.5	E483 C484 R489 L490 A491 L538 L539 M542 L567 L619	E483-V487 PolarHBondContact O-N 3.08Å; C484-V487 PolarHBondContact O-N 2.94Å; V487-R489 VanDerWaalsContact C-N 3.3Å; V487-R489 PolarHBondContact O-N 3.1Å; V487-L490 WeakPolarHBondContact O-CB 3.47Å; V487-L490 PolarHBondContact O-N 2.9Å; V487-A491 WeakPolarHBondContact O-CB 3.48Å; V487-A491 PolarHBondContact O-N 3.43Å; V487-L538 HydrophobicContact CG2-CD2 3.8Å; V487-L538 HydrophobicContact CG2-CG 4.05Å; V487-L539 HydrophobicContact CG1-CD1 4.29Å; V487-M542 HydrophobicContact CB-SD 4.46Å; V487-M542 HydrophobicContact CG2-CE 4.25Å; V487-M542 HydrophobicContact CG2-SD 3.47Å; V487-M542 WeakPolarHBondContact CG2-SD 3.23Å; V487-L567 HydrophobicContact CG1-CD1 4.06Å; V487-L567 HydrophobicContact CG1-CD2 3.83Å; V487-L619 HydrophobicContact CB-CD1 4.3Å; V487-L619 HydrophobicContact CG1-CD1 3.72Å
488	L	96.8	Very high	94.5	Very high	30 Å²	30	44.6 Å²	44.6	16%	0.157	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-38	171.3	-72.7	168.3	0	0	0	112.3	C484 A491 T492 L619 N620 C671	C484-L488 WeakPolarHBondContact O-CB 3.35Å; C484-L488 VanDerWaalsContact O-CG 3.25Å; C484-L488 WeakPolarHBondContact O-CG 3.41Å; C484-L488 PolarHBondContact O-N 3.44Å; L488-A491 PolarHBondContact O-N 2.98Å; L488-T492 WeakPolarHBondContact O-CB 3.5Å; L488-T492 PolarHBondContact O-N 3.28Å; L488-T492 PolarHBondContact O-OG1 3.31Å; L488-L619 HydrophobicContact CD2-CB 3.93Å; L488-L619 HydrophobicContact CD2-CD1 4.43Å; L488-L619 HydrophobicContact CG-CB 4.13Å; L488-N620 HydrophobicContact CD1-CB 3.95Å; L488-N620 HydrophobicContact CD2-CB 4.31Å; L488-C671 HydrophobicContact CD2-CB 3.6Å
489	R	96.2	Very high	93.9	Very high	164 Å²	164	45.9 Å²	45.9	62%	0.619	25%	0.247	S	C	*	.	H	α-helix	trans	-66.1	-44.1	173.4	-82.7	-179.1	-97	179.7	-11.5	111.3	N485 T486 V487 A491 T492 A493	N485-R489 WeakPolarHBondContact O-CG 3.34Å; N485-R489 PolarHBondContact O-N 3.43Å; N485-R489 PolarHBondContact O-NE 2.88Å; T486-R489 WeakPolarHBondContact O-CB 3.42Å; T486-R489 PolarHBondContact O-N 2.9Å; V487-R489 VanDerWaalsContact C-N 3.3Å; V487-R489 PolarHBondContact O-N 3.1Å; R489-A491 PolarHBondContact O-N 2.99Å; R489-T492 PolarHBondContact O-N 2.85Å; R489-A493 PolarHBondContact O-N 3.48Å
490	L	95.9	Very high	92.9	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-47.9	173.2	179.2	65.5	0	0	0	111.3	T486 V487 T492 A493 A494 L517 V531 D535 L539	T486-L490 PolarHBondContact O-N 3.27Å; V487-L490 WeakPolarHBondContact O-CB 3.47Å; V487-L490 PolarHBondContact O-N 2.9Å; L490-T492 VanDerWaalsContact C-N 3.27Å; L490-T492 PolarHBondContact O-N 2.78Å; L490-A493 PolarHBondContact O-N 2.83Å; L490-A493 VanDerWaalsContact O-N 3.15Å; L490-A494 HydrophobicContact CD1-CB 4.32Å; L490-A494 WeakPolarHBondContact O-CB 3.44Å; L490-A494 PolarHBondContact O-N 2.95Å; L490-L517 HydrophobicContact CD1-CD2 4.48Å; L490-L517 HydrophobicContact CD2-CD2 4.23Å; L490-L517 HydrophobicContact CG-CD2 3.94Å; L490-V531 HydrophobicContact CD1-CB 3.84Å; L490-V531 HydrophobicContact CD1-CG1 3.91Å; L490-V531 HydrophobicContact CD1-CG2 3.93Å; L490-D535 HydrophobicContact CB-CB 4.42Å; L490-D535 HydrophobicContact CD1-CB 4.31Å; L490-D535 HydrophobicContact CD2-CB 4.38Å; L490-D535 WeakPolarHBondContact CD2-O 3.17Å; L490-L539 HydrophobicContact CD2-CB 4.13Å; L490-L539 HydrophobicContact CD2-CD2 4.15Å
491	A	94.9	Very high	91.7	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-39.9	177.1	0	0	0	0	0	111.7	V487 L488 R489 A493 A495 L567	V487-A491 WeakPolarHBondContact O-CB 3.48Å; V487-A491 PolarHBondContact O-N 3.43Å; L488-A491 PolarHBondContact O-N 2.98Å; R489-A491 PolarHBondContact O-N 2.99Å; A491-A493 VanDerWaalsContact C-N 3.34Å; A491-A495 WeakPolarHBondContact O-CB 3.38Å; A491-A495 PolarHBondContact O-N 3.48Å; A491-L567 HydrophobicContact CB-CD2 3.81Å; A491-L567 HydrophobicContact CB-CG 4.4Å
492	T	93.8	Very high	90.6	Very high	93 Å²	93	47.3 Å²	47.3	57%	0.571	25%	0.251	S	S	*	.	H	α-helix	trans	-68	-34.3	178.2	-56.2	0	0	0	0	112.5	L488 R489 L490 R669	L488-T492 WeakPolarHBondContact O-CB 3.5Å; L488-T492 PolarHBondContact O-N 3.28Å; L488-T492 PolarHBondContact O-OG1 3.31Å; R489-T492 PolarHBondContact O-N 2.85Å; L490-T492 VanDerWaalsContact C-N 3.27Å; L490-T492 PolarHBondContact O-N 2.78Å; T492-R669 PolarHBondContact OG1-NH1 2.92Å
493	A	92.8	Very high	89.6	Confident	77 Å²	77	42 Å²	42	64%	0.636	24%	0.242	S	C	*	.	H	α-helix	trans	-81.9	-36	-179.8	0	0	0	0	0	113.4	R489 L490 A491 V531	R489-A493 PolarHBondContact O-N 3.48Å; L490-A493 PolarHBondContact O-N 2.83Å; L490-A493 VanDerWaalsContact O-N 3.15Å; A491-A493 VanDerWaalsContact C-N 3.34Å; A493-V531 HydrophobicContact CB-CG1 4.15Å
494	A	93.5	Very high	88.4	Confident	6 Å²	6	43 Å²	43	5%	0.05	24%	0.244	C	C	.	.	H	α-helix	trans	-120.3	-19.1	-164.9	0	0	0	0	0	115.5	L490 L517 L525 V531	L490-A494 HydrophobicContact CD1-CB 4.32Å; L490-A494 WeakPolarHBondContact O-CB 3.44Å; L490-A494 PolarHBondContact O-N 2.95Å; A494-L517 HydrophobicContact CB-CD1 4.01Å; A494-L517 HydrophobicContact CB-CD2 3.81Å; A494-L525 HydrophobicContact CB-CD1 3.56Å; A494-V531 HydrophobicContact CB-CG1 4.06Å
495	A	92	Very high	87.7	Confident	17 Å²	17	51.2 Å²	51.2	14%	0.14	28%	0.275	C	S	.	.			trans	-67.8	143.4	-179.5	0	0	0	0	0	111.1	A491 E515 G516 L517	A491-A495 WeakPolarHBondContact O-CB 3.38Å; A491-A495 PolarHBondContact O-N 3.48Å; A495-E515 HydrophobicContact CB-CB 4.04Å; A495-G516 CarbonylContact C-O 3.59Å; A495-G516 VanDerWaalsContact CA-O 3.28Å; A495-G516 WeakPolarHBondContact CA-O 3.49Å; A495-L517 HydrophobicContact CB-CB 4.25Å
496	S	91	Very high	86.9	Confident	35 Å²	35	49.8 Å²	49.8	25%	0.245	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142	178.5	-72.6	0	0	0	0	112.8	G498 D499 E515 G516 R521	S496-G498 PolarHBondContact O-N 3.1Å; S496-D499 WeakPolarHBondContact O-CB 3.44Å; S496-D499 PolarHBondContact O-N 3.5Å; S496-E515 CarbonylContact O-C 3.39Å; S496-E515 VanDerWaalsContact O-CA 3.27Å; S496-E515 WeakPolarHBondContact O-CA 3.34Å; S496-G516 PolarHBondContact N-O 3.11Å; S496-G516 PolarHBondContact O-N 3.45Å; S496-R521 PolarHBondContact OG-NH1 3.31Å; S496-R521 PolarHBondContact OG-NH2 2.82Å
497	A	87.8	Confident	85.8	Confident	29 Å²	29	48.7 Å²	48.7	24%	0.24	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	123.8	176.3	0	0	0	0	0	110.4	D499 R505 F514 E515	A497-D499 VanDerWaalsContact C-N 3.32Å; A497-D499 PolarHBondContact O-N 3.47Å; A497-R505 HydrophobicContact CB-CG 3.92Å; A497-F514 VanDerWaalsContact CA-O 3.29Å; A497-F514 WeakPolarHBondContact CA-O 3.4Å; A497-E515 HydrophobicContact CB-CG 4.38Å
498	G	79.3	Confident	84.8	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.01	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	23.6	-178.8	0	0	0	0	0	116.2	S496 G500 Y501 G503 R504 F514	S496-G498 PolarHBondContact O-N 3.1Å; G498-G500 PolarHBondContact O-N 3.35Å; G498-Y501 CarbonylContact O-C 3.55Å; G498-Y501 WeakPolarHBondContact O-CA 3.34Å; G498-Y501 PolarHBondContact O-N 2.89Å; G498-G503 WeakPolarHBondContact O-CA 3.24Å; G498-G503 PolarHBondContact O-N 3.47Å; G498-R504 WeakPolarHBondContact CA-O 3.21Å; G498-F514 PolarHBondContact N-O 2.91Å
499	D	85.4	Confident	84	Confident	28 Å²	28	48.8 Å²	48.8	15%	0.15	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	134.1	166.9	-161	80.8	0	0	0	109.5	S496 A497 Y501 F514 G516 R521 H566	S496-D499 WeakPolarHBondContact O-CB 3.44Å; S496-D499 PolarHBondContact O-N 3.5Å; A497-D499 VanDerWaalsContact C-N 3.32Å; A497-D499 PolarHBondContact O-N 3.47Å; D499-Y501 PolarHBondContact O-N 3.04Å; D499-F514 WeakPolarHBondContact O-CE1 3.43Å; D499-G516 WeakPolarHBondContact CB-O 3.42Å; D499-R521 IonicContact OD1-CZ 2.64Å; D499-R521 IonicContact OD1-NH1 2.63Å; D499-R521 PolarHBondContact OD1-NH1 3.15Å; D499-H566 IonicContact OD2-NE2 3.49Å
500	G	74.8	Confident	83.2	Confident	35 Å²	35	42.8 Å²	42.8	36%	0.361	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-8.7	-169.7	0	0	0	0	0	116	G498	G498-G500 PolarHBondContact O-N 3.35Å
501	Y	70.4	Confident	82.7	Confident	17 Å²	17	44 Å²	44	7%	0.067	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	39.6	-175.4	-67.6	-79.6	0	0	0	113.3	L188 G498 D499 G503 R504 P507 H508 F514 L745	L188-Y501 HydrophobicContact CD1-CD1 3.98Å; L188-Y501 HydrophobicContact CD1-CE1 3.98Å; G498-Y501 CarbonylContact O-C 3.55Å; G498-Y501 WeakPolarHBondContact O-CA 3.34Å; G498-Y501 PolarHBondContact O-N 2.89Å; D499-Y501 PolarHBondContact O-N 3.04Å; Y501-G503 PolarHBondContact O-N 3Å; Y501-R504 VanDerWaalsContact O-CB 3.24Å; Y501-R504 WeakPolarHBondContact O-CB 3.18Å; Y501-R504 WeakPolarHBondContact O-CD 3.42Å; Y501-R504 WeakPolarHBondContact O-CG 3.37Å; Y501-R504 PolarHBondContact O-N 3.47Å; Y501-P507 HydrophobicContact CD1-CB 3.62Å; Y501-P507 HydrophobicContact CD1-CG 4.22Å; Y501-P507 HydrophobicContact CD2-CB 4.1Å; Y501-P507 HydrophobicContact CD2-CG 3.78Å; Y501-P507 HydrophobicContact CE1-CB 4.1Å; Y501-P507 HydrophobicContact CE2-CG 4.14Å; Y501-P507 HydrophobicContact CG-CB 3.62Å; Y501-P507 HydrophobicContact CG-CG 3.83Å; Y501-H508 AromaticContact CE1-NE2 3.97Å; Y501-H508 AromaticContact CZ-NE2 3.47Å; Y501-H508 PolarHBondContact OH-NE2 3Å; Y501-F514 HydrophobicContact CD2-CD1 4.06Å; Y501-F514 AromaticContact CD2-CE1 3.72Å; Y501-F514 HydrophobicContact CD2-CE1 3.72Å; Y501-F514 HydrophobicContact CD2-CE2 4.49Å; Y501-F514 AromaticContact CD2-CZ 3.95Å; Y501-F514 HydrophobicContact CD2-CZ 3.95Å; Y501-F514 HydrophobicContact CE2-CD1 4.42Å; Y501-F514 AromaticContact CE2-CE1 3.84Å; Y501-F514 HydrophobicContact CE2-CE1 3.84Å; Y501-F514 AromaticContact CE2-CE2 3.92Å; Y501-F514 HydrophobicContact CE2-CE2 3.92Å; Y501-F514 AromaticContact CE2-CZ 3.55Å; Y501-F514 HydrophobicContact CE2-CZ 3.55Å; Y501-L745 HydrophobicContact CE1-CB 4.19Å; Y501-L745 WeakPolarHBondContact CE1-O 3.47Å; Y501-L745 HydrophobicContact CE2-CB 4.36Å; Y501-L745 PolarHBondContact OH-OXT 3.29Å
502	R	74.2	Confident	82.4	Confident	174 Å²	174	44 Å²	44	66%	0.657	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	31.3	-178.4	-56.8	-177.4	-178.2	177.6	0.8	114	E189 E744	E189-R502 IonicContact OE1-NH1 3.94Å; E189-R502 PolarHBondContact OE1-NH1 3.3Å; R502-E744 IonicContact CZ-OE1 3.89Å; R502-E744 IonicContact NE-OE1 3.42Å; R502-E744 PolarHBondContact NE-OE1 3.2Å; R502-E744 IonicContact NH2-OE1 2.77Å; R502-E744 PolarHBondContact NH2-OE1 3.44Å; R502-E744 IonicContact NH2-OE2 2.76Å
503	G	76.8	Confident	82.3	Confident	48 Å²	48	43 Å²	43	50%	0.495	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	10.3	-179.4	0	0	0	0	0	115.2	G498 Y501 R505	G498-G503 WeakPolarHBondContact O-CA 3.24Å; G498-G503 PolarHBondContact O-N 3.47Å; Y501-G503 PolarHBondContact O-N 3Å; G503-R505 PolarHBondContact O-N 2.92Å
504	R	71.3	Confident	82.2	Confident	55 Å²	55	39.6 Å²	39.6	21%	0.208	21%	0.21	C	C	.	.			trans	-69.2	116.2	175.9	-69.5	167.9	178	-144	-14.4	111.3	L188 E189 N192 G498 Y501 S506 P507	L188-R504 PolarHBondContact O-NH1 2.91Å; E189-R504 VanDerWaalsContact CA-NH2 3.29Å; E189-R504 VanDerWaalsContact N-NH1 3.17Å; E189-R504 IonicContact OE1-CZ 3.51Å; E189-R504 IonicContact OE1-NH2 3.95Å; E189-R504 PolarHBondContact OE1-NH2 3.05Å; E189-R504 IonicContact OE2-NH2 2.89Å; N192-R504 PolarHBondContact ND2-NH1 2.81Å; G498-R504 WeakPolarHBondContact CA-O 3.21Å; Y501-R504 VanDerWaalsContact O-CB 3.24Å; Y501-R504 WeakPolarHBondContact O-CB 3.18Å; Y501-R504 WeakPolarHBondContact O-CD 3.42Å; Y501-R504 WeakPolarHBondContact O-CG 3.37Å; Y501-R504 PolarHBondContact O-N 3.47Å; R504-S506 PolarHBondContact O-N 3.46Å; R504-P507 HydrophobicContact CB-CB 4.45Å
505	R	83.2	Confident	82.3	Confident	173 Å²	173	40.6 Å²	40.6	65%	0.653	21%	0.213	S	C	*	.	S	Bend	trans	-69.3	-20.7	-177.3	-55.5	-170.2	177.3	179.5	-0.9	113.9	A497 G503 K513 F514	A497-R505 HydrophobicContact CB-CG 3.92Å; G503-R505 PolarHBondContact O-N 2.92Å; R505-K513 CarbonylContact O-C 3.58Å; R505-K513 VanDerWaalsContact O-CA 3.31Å; R505-K513 WeakPolarHBondContact O-CA 3.48Å; R505-F514 PolarHBondContact O-N 3.37Å
506	S	80.1	Confident	82.5	Confident	33 Å²	33	39.8 Å²	39.8	23%	0.231	21%	0.207	C	C	.	.			trans	-142.3	69.8	-173.7	-61.8	0	0	0	0	110.1	R504 T509 E512	R504-S506 PolarHBondContact O-N 3.46Å; S506-T509 WeakPolarHBondContact CB-O 3.44Å; S506-E512 VanDerWaalsContact CB-O 3.27Å; S506-E512 WeakPolarHBondContact CB-O 3.13Å; S506-E512 PolarHBondContact OG-O 2.89Å
507	P	75.3	Confident	82.7	Confident	4 Å²	4	38.1 Å²	38.1	3%	0.026	20%	0.195	C	C	.	.	S	Bend	trans	-76.1	-22	-168.6	26.4	-30.2	0	0	0	114.7	N192 Y501 R504 F514	N192-P507 PolarHBondContact OD1-O 3.41Å; Y501-P507 HydrophobicContact CD1-CB 3.62Å; Y501-P507 HydrophobicContact CD1-CG 4.22Å; Y501-P507 HydrophobicContact CD2-CB 4.1Å; Y501-P507 HydrophobicContact CD2-CG 3.78Å; Y501-P507 HydrophobicContact CE1-CB 4.1Å; Y501-P507 HydrophobicContact CE2-CG 4.14Å; Y501-P507 HydrophobicContact CG-CB 3.62Å; Y501-P507 HydrophobicContact CG-CG 3.83Å; R504-P507 HydrophobicContact CB-CB 4.45Å; P507-F514 HydrophobicContact CG-CB 3.82Å; P507-F514 HydrophobicContact CG-CD1 4.34Å; P507-F514 HydrophobicContact CG-CD2 4.11Å; P507-F514 HydrophobicContact CG-CG 3.83Å
508	H	76.6	Confident	83	Confident	29 Å²	29	37.4 Å²	37.4	13%	0.134	19%	0.188	C	C	.	.	S	Bend	trans	-112.7	-39.6	-174.6	-67	-76.9	0	0	0	113.6	Y501 R570 S584 H585	Y501-H508 AromaticContact CE1-NE2 3.97Å; Y501-H508 AromaticContact CZ-NE2 3.47Å; Y501-H508 PolarHBondContact OH-NE2 3Å; H508-R570 PolarHBondContact CD2-NH2 2.61Å; H508-R570 PolarHBondContact NE2-NH2 3.01Å; H508-S584 VanDerWaalsContact CB-O 3.25Å; H508-S584 WeakPolarHBondContact CB-O 3.25Å; H508-H585 AromaticContact CE1-CD2 3.87Å; H508-H585 AromaticContact CE1-NE2 3.58Å
509	T	78.9	Confident	83.8	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.018	19%	0.188	C	C	.	.			trans	-142.8	140.6	174.4	168.9	0	0	0	0	108.9	S506 H511 E512 D582	S506-T509 WeakPolarHBondContact CB-O 3.44Å; T509-H511 PolarHBondContact O-N 2.97Å; T509-H511 PolarHBondContact OG1-CD2 3.49Å; T509-H511 PolarHBondContact OG1-N 3.23Å; T509-E512 HydrophobicContact CG2-CB 3.86Å; T509-E512 HydrophobicContact CG2-CG 3.7Å; T509-D582 WeakPolarHBondContact CB-OD2 3.49Å; T509-D582 PolarHBondContact OG1-OD2 2.9Å
510	P	79.3	Confident	84.2	Confident	38 Å²	38	36.7 Å²	36.7	25%	0.247	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.2	177.9	-19.4	34.6	0	0	0	113.6	E195 R199 E512 I573	E195-P510 HydrophobicContact CB-CG 4.47Å; R199-P510 VanDerWaalsContact CZ-CG 3.41Å; R199-P510 VanDerWaalsContact NH1-CB 3.32Å; P510-E512 VanDerWaalsContact C-N 3.32Å; P510-I573 VanDerWaalsContact O-CD1 3.3Å; P510-I573 WeakPolarHBondContact O-CD1 3.43Å
511	H	84.7	Confident	85.1	Confident	27 Å²	27	38.8 Å²	38.8	13%	0.125	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.8	-174	-58	-63.2	0	0	0	113.7	R199 T509 I573 D576 Q577 D582	R199-H511 PolarHBondContact NH1-CE1 2.87Å; R199-H511 PolarHBondContact NH2-CE1 3.27Å; R199-H511 VanDerWaalsContact NH2-CE1 3.31Å; R199-H511 PolarHBondContact NH2-NE2 3.5Å; T509-H511 PolarHBondContact O-N 2.97Å; T509-H511 PolarHBondContact OG1-CD2 3.49Å; T509-H511 PolarHBondContact OG1-N 3.23Å; H511-I573 WeakPolarHBondContact O-CB 3.12Å; H511-I573 PolarHBondContact O-N 3.09Å; H511-D576 IonicContact CE1-OD1 3.77Å; H511-D576 PolarHBondContact CE1-OD1 3.47Å; H511-D576 VanDerWaalsContact CE1-OD1 3.25Å; H511-D576 IonicContact CE1-OD2 3.69Å; H511-D576 IonicContact CG-OD2 3.66Å; H511-D576 PolarHBondContact ND1-O 2.89Å; H511-D576 IonicContact ND1-OD1 3.54Å; H511-D576 PolarHBondContact ND1-OD1 3.47Å; H511-D576 VanDerWaalsContact ND1-OD1 3.11Å; H511-D576 IonicContact ND1-OD2 3.3Å; H511-D576 PolarHBondContact ND1-OD2 3.38Å; H511-Q577 PolarHBondContact O-NE2 2.82Å; H511-D582 IonicContact CD2-OD1 3.7Å; H511-D582 IonicContact CD2-OD2 3.16Å
512	E	89.2	Confident	86.3	Confident	3 Å²	3	38 Å²	38	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.1	-178.1	-62.1	177.6	-169.6	0	0	111	S506 T509 P510 R570 S571 R580 S584 V665	S506-E512 VanDerWaalsContact CB-O 3.27Å; S506-E512 WeakPolarHBondContact CB-O 3.13Å; S506-E512 PolarHBondContact OG-O 2.89Å; T509-E512 HydrophobicContact CG2-CB 3.86Å; T509-E512 HydrophobicContact CG2-CG 3.7Å; P510-E512 VanDerWaalsContact C-N 3.32Å; E512-R570 IonicContact OE2-NH1 3.62Å; E512-S571 CarbonylContact C-O 3.58Å; E512-S571 VanDerWaalsContact CA-O 3.27Å; E512-S571 WeakPolarHBondContact CA-O 3.12Å; E512-R580 IonicContact OE1-NH1 2.88Å; E512-S584 VanDerWaalsContact OE1-CB 3.25Å; E512-S584 WeakPolarHBondContact OE1-CB 3.23Å; E512-S584 PolarHBondContact OE1-OG 3.3Å; E512-S584 WeakPolarHBondContact OE2-CB 3.34Å; E512-S584 PolarHBondContact OE2-OG 3.22Å; E512-V665 PolarHBondContact OE1-N 2.94Å
513	K	91	Very high	87.3	Confident	72 Å²	72	29.7 Å²	29.7	31%	0.313	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.7	169.2	-172.8	-167.1	-179.2	-161.3	0	109.7	R505 E515 R570 S571	R505-K513 CarbonylContact O-C 3.58Å; R505-K513 VanDerWaalsContact O-CA 3.31Å; R505-K513 WeakPolarHBondContact O-CA 3.48Å; K513-E515 HydrophobicContact CD-CG 4.4Å; K513-E515 WeakPolarHBondContact CE-OE1 3.33Å; K513-E515 IonicContact NZ-OE1 3.71Å; K513-E515 PolarHBondContact NZ-OE1 2.88Å; K513-R570 CarbonylContact O-C 3.48Å; K513-R570 VanDerWaalsContact O-CA 3.29Å; K513-R570 WeakPolarHBondContact O-CA 3.39Å; K513-S571 PolarHBondContact N-O 3.3Å; K513-S571 PolarHBondContact O-N 2.81Å
514	F	92.3	Very high	88.1	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.3	175.3	-175.8	-79.4	0	0	0	111.1	A497 G498 D499 Y501 R505 P507 H566 V568 R570	A497-F514 VanDerWaalsContact CA-O 3.29Å; A497-F514 WeakPolarHBondContact CA-O 3.4Å; G498-F514 PolarHBondContact N-O 2.91Å; D499-F514 WeakPolarHBondContact O-CE1 3.43Å; Y501-F514 HydrophobicContact CD2-CD1 4.06Å; Y501-F514 AromaticContact CD2-CE1 3.72Å; Y501-F514 HydrophobicContact CD2-CE1 3.72Å; Y501-F514 HydrophobicContact CD2-CE2 4.49Å; Y501-F514 AromaticContact CD2-CZ 3.95Å; Y501-F514 HydrophobicContact CD2-CZ 3.95Å; Y501-F514 HydrophobicContact CE2-CD1 4.42Å; Y501-F514 AromaticContact CE2-CE1 3.84Å; Y501-F514 HydrophobicContact CE2-CE1 3.84Å; Y501-F514 AromaticContact CE2-CE2 3.92Å; Y501-F514 HydrophobicContact CE2-CE2 3.92Å; Y501-F514 AromaticContact CE2-CZ 3.55Å; Y501-F514 HydrophobicContact CE2-CZ 3.55Å; R505-F514 PolarHBondContact O-N 3.37Å; P507-F514 HydrophobicContact CG-CB 3.82Å; P507-F514 HydrophobicContact CG-CD1 4.34Å; P507-F514 HydrophobicContact CG-CD2 4.11Å; P507-F514 HydrophobicContact CG-CG 3.83Å; F514-H566 AromaticContact CE1-CE1 3.97Å; F514-H566 AromaticContact CZ-CE1 3.87Å; F514-V568 HydrophobicContact CD2-CG1 3.93Å; F514-V568 HydrophobicContact CE1-CG1 4.44Å; F514-V568 HydrophobicContact CE2-CB 4.39Å; F514-V568 HydrophobicContact CE2-CG1 3.24Å; F514-V568 HydrophobicContact CE2-CG2 4.26Å; F514-V568 HydrophobicContact CZ-CB 4.29Å; F514-V568 HydrophobicContact CZ-CG1 3.53Å; F514-V568 HydrophobicContact CZ-CG2 3.81Å; F514-R570 HydrophobicContact CD2-CG 4.26Å
515	E	95.2	Very high	89.1	Confident	28 Å²	28	30.2 Å²	30.2	13%	0.131	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.5	173.9	-63.4	173	133	0	0	109.8	A495 S496 A497 K513 V568 C569 R669	A495-E515 HydrophobicContact CB-CB 4.04Å; S496-E515 CarbonylContact O-C 3.39Å; S496-E515 VanDerWaalsContact O-CA 3.27Å; S496-E515 WeakPolarHBondContact O-CA 3.34Å; A497-E515 HydrophobicContact CB-CG 4.38Å; K513-E515 HydrophobicContact CD-CG 4.4Å; K513-E515 WeakPolarHBondContact CE-OE1 3.33Å; K513-E515 IonicContact NZ-OE1 3.71Å; K513-E515 PolarHBondContact NZ-OE1 2.88Å; E515-V568 WeakPolarHBondContact O-CA 3.43Å; E515-C569 HydrophobicContact CB-CB 4.42Å; E515-C569 PolarHBondContact N-O 3.03Å; E515-C569 PolarHBondContact O-N 3.19Å; E515-R669 IonicContact OE2-CZ 3.52Å; E515-R669 IonicContact OE2-NE 3.84Å; E515-R669 IonicContact OE2-NH2 2.62Å
516	G	95.3	Very high	89.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.5	-176.6	0	0	0	0	0	114	A495 S496 D499 H566 L567	A495-G516 CarbonylContact C-O 3.59Å; A495-G516 VanDerWaalsContact CA-O 3.28Å; A495-G516 WeakPolarHBondContact CA-O 3.49Å; S496-G516 PolarHBondContact N-O 3.11Å; S496-G516 PolarHBondContact O-N 3.45Å; D499-G516 WeakPolarHBondContact CB-O 3.42Å; G516-H566 WeakPolarHBondContact CA-NE2 3.29Å; G516-L567 CarbonylContact C-O 3.33Å; G516-L567 VanDerWaalsContact CA-O 3.23Å; G516-L567 WeakPolarHBondContact CA-O 3.36Å
517	L	95.8	Very high	90.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	121.4	176.5	179.3	63.4	0	0	0	110.5	L490 A494 A495 R521 A522 L539 L567	L490-L517 HydrophobicContact CD1-CD2 4.48Å; L490-L517 HydrophobicContact CD2-CD2 4.23Å; L490-L517 HydrophobicContact CG-CD2 3.94Å; A494-L517 HydrophobicContact CB-CD1 4.01Å; A494-L517 HydrophobicContact CB-CD2 3.81Å; A495-L517 HydrophobicContact CB-CB 4.25Å; L517-R521 HydrophobicContact CD1-CB 4.08Å; L517-R521 HydrophobicContact CD1-CG 3.9Å; L517-A522 HydrophobicContact CD1-CB 4.23Å; L517-A522 HydrophobicContact CD2-CB 4.07Å; L517-A522 HydrophobicContact CG-CB 4.2Å; L517-L539 HydrophobicContact CD2-CD2 4.27Å; L517-L539 HydrophobicContact CG-CD2 4.47Å; L517-L567 HydrophobicContact CB-CB 4.23Å; L517-L567 HydrophobicContact CB-CD2 4.32Å; L517-L567 HydrophobicContact CD2-CD2 4.08Å; L517-L567 PolarHBondContact N-O 3.26Å; L517-L567 WeakPolarHBondContact O-CB 3.08Å; L517-L567 PolarHBondContact O-N 3.02Å
518	T	94.9	Very high	91	Very high	14 Å²	14	29.3 Å²	29.3	9%	0.086	14%	0.141	C	C	.	.			trans	-85.1	158.8	170.7	71.1	0	0	0	0	111.9	R521 A522	T518-R521 PolarHBondContact O-N 2.04Å; T518-R521 WeakPolarHBondContact OG1-CB 3.38Å; T518-R521 PolarHBondContact OG1-N 2.85Å; T518-A522 PolarHBondContact O-N 2.73Å
519	V	94.9	Very high	91.7	Very high	4 Å²	4	31 Å²	31	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-50.2	178.9	179.3	0	0	0	0	111.1	R521 A522 V523 L539 H540 T565 A691 W695	V519-R521 PolarHBondContact O-N 3.49Å; V519-A522 WeakPolarHBondContact O-CB 3.27Å; V519-A522 PolarHBondContact O-N 2.66Å; V519-A522 VanDerWaalsContact O-N 3.1Å; V519-V523 WeakPolarHBondContact O-CG2 3.04Å; V519-V523 PolarHBondContact O-N 3.28Å; V519-L539 HydrophobicContact CG2-CG 4.49Å; V519-H540 HydrophobicContact CG1-CB 3.98Å; V519-T565 HydrophobicContact CG2-CG2 3.77Å; V519-A691 HydrophobicContact CG1-CB 4.06Å; V519-W695 HydrophobicContact CG1-CH2 4.4Å
520	L	94	Very high	92.3	Very high	10 Å²	10	37 Å²	37	5%	0.052	20%	0.196	C	C	.	.	H	α-helix	trans	-56.5	-41	179.3	178.9	58.5	0	0	0	112.2	V523 K524 E687 E690 A691 L694	L520-V523 PolarHBondContact O-N 3.48Å; L520-K524 HydrophobicContact CD1-CD 4.3Å; L520-K524 HydrophobicContact CD1-CG 4.47Å; L520-K524 HydrophobicContact CG-CD 4.22Å; L520-K524 WeakPolarHBondContact O-CG 3.43Å; L520-K524 PolarHBondContact O-N 3.39Å; L520-E687 HydrophobicContact CB-CB 4.1Å; L520-E687 HydrophobicContact CD2-CB 3.78Å; L520-E687 HydrophobicContact CD2-CG 4Å; L520-E690 HydrophobicContact CD1-CB 4Å; L520-E690 HydrophobicContact CD1-CG 3.81Å; L520-E690 HydrophobicContact CD2-CB 4.28Å; L520-E690 HydrophobicContact CD2-CG 4.33Å; L520-A691 HydrophobicContact CB-CB 4.25Å; L520-A691 HydrophobicContact CD1-CB 4.06Å; L520-L694 HydrophobicContact CD1-CD1 3.88Å
521	R	94.1	Very high	93	Very high	78 Å²	78	36.1 Å²	36.1	29%	0.294	19%	0.19	S	C	.	.	H	α-helix	trans	-66.9	-42.5	178.1	-177.5	176.4	176.5	174.8	1.7	112	S496 D499 L517 T518 V519 V523 K524 L525	S496-R521 PolarHBondContact OG-NH1 3.31Å; S496-R521 PolarHBondContact OG-NH2 2.82Å; D499-R521 IonicContact OD1-CZ 2.64Å; D499-R521 IonicContact OD1-NH1 2.63Å; D499-R521 PolarHBondContact OD1-NH1 3.15Å; L517-R521 HydrophobicContact CD1-CB 4.08Å; L517-R521 HydrophobicContact CD1-CG 3.9Å; T518-R521 PolarHBondContact O-N 2.04Å; T518-R521 WeakPolarHBondContact OG1-CB 3.38Å; T518-R521 PolarHBondContact OG1-N 2.85Å; V519-R521 PolarHBondContact O-N 3.49Å; R521-V523 VanDerWaalsContact C-N 3.28Å; R521-V523 PolarHBondContact O-N 3.21Å; R521-K524 PolarHBondContact O-N 3.16Å; R521-L525 HydrophobicContact CG-CD1 4.14Å; R521-L525 WeakPolarHBondContact O-CB 3.42Å; R521-L525 WeakPolarHBondContact O-CG 3.28Å; R521-L525 PolarHBondContact O-N 3.13Å
522	A	95.3	Very high	93.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-41.6	174.6	0	0	0	0	0	111.3	L517 T518 V519 A526 A536 L539	L517-A522 HydrophobicContact CD1-CB 4.23Å; L517-A522 HydrophobicContact CD2-CB 4.07Å; L517-A522 HydrophobicContact CG-CB 4.2Å; T518-A522 PolarHBondContact O-N 2.73Å; V519-A522 WeakPolarHBondContact O-CB 3.27Å; V519-A522 PolarHBondContact O-N 2.66Å; V519-A522 VanDerWaalsContact O-N 3.1Å; A522-A526 WeakPolarHBondContact O-CB 3.3Å; A522-A526 PolarHBondContact O-N 3.12Å; A522-A536 HydrophobicContact CB-CB 4.06Å; A522-L539 HydrophobicContact CB-CD2 3.95Å
523	V	94.6	Very high	93.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-46.8	176.3	176.4	0	0	0	0	112.1	V519 L520 R521 L525 A526 Q527 A691 L694 W695	V519-V523 WeakPolarHBondContact O-CG2 3.04Å; V519-V523 PolarHBondContact O-N 3.28Å; L520-V523 PolarHBondContact O-N 3.48Å; R521-V523 VanDerWaalsContact C-N 3.28Å; R521-V523 PolarHBondContact O-N 3.21Å; V523-L525 PolarHBondContact O-N 3.18Å; V523-A526 WeakPolarHBondContact O-CA 3.21Å; V523-A526 WeakPolarHBondContact O-CB 3.35Å; V523-A526 PolarHBondContact O-N 2.86Å; V523-A526 VanDerWaalsContact O-N 3.09Å; V523-Q527 PolarHBondContact O-N 3.43Å; V523-A691 HydrophobicContact CG2-CB 4.06Å; V523-L694 HydrophobicContact CG1-CB 4.08Å; V523-L694 HydrophobicContact CG1-CD1 3.95Å; V523-W695 HydrophobicContact CB-CZ2 4.48Å; V523-W695 HydrophobicContact CG2-CD2 4.42Å; V523-W695 HydrophobicContact CG2-CH2 3.64Å; V523-W695 HydrophobicContact CG2-CZ2 3.19Å; V523-W695 HydrophobicContact CG2-CZ3 4.43Å
524	K	93.6	Very high	93.7	Very high	84 Å²	84	43.1 Å²	43.1	37%	0.365	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-45.6	177.7	-75.2	174.7	174.9	164.8	0	111.9	L520 R521 A526 Q527 D528 E690 L694	L520-K524 HydrophobicContact CD1-CD 4.3Å; L520-K524 HydrophobicContact CD1-CG 4.47Å; L520-K524 HydrophobicContact CG-CD 4.22Å; L520-K524 WeakPolarHBondContact O-CG 3.43Å; L520-K524 PolarHBondContact O-N 3.39Å; R521-K524 PolarHBondContact O-N 3.16Å; K524-A526 PolarHBondContact O-N 3.17Å; K524-Q527 PolarHBondContact O-N 3.46Å; K524-Q527 VanDerWaalsContact O-N 3.15Å; K524-D528 PolarHBondContact O-N 3.46Å; K524-E690 WeakPolarHBondContact CE-OE1 3.34Å; K524-E690 IonicContact NZ-OE1 3.4Å; K524-E690 PolarHBondContact NZ-OE1 2.95Å; K524-L694 HydrophobicContact CG-CD1 4.37Å
525	L	94.1	Very high	93.8	Very high	30 Å²	30	44.2 Å²	44.2	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-31.9	175.2	-70.1	172.3	0	0	0	112.4	A494 R521 V523 G529 M530 V531	A494-L525 HydrophobicContact CB-CD1 3.56Å; R521-L525 HydrophobicContact CG-CD1 4.14Å; R521-L525 WeakPolarHBondContact O-CB 3.42Å; R521-L525 WeakPolarHBondContact O-CG 3.28Å; R521-L525 PolarHBondContact O-N 3.13Å; V523-L525 PolarHBondContact O-N 3.18Å; L525-G529 PolarHBondContact O-N 3.19Å; L525-M530 HydrophobicContact CB-CB 4.44Å; L525-M530 HydrophobicContact CD2-CB 4.4Å; L525-M530 HydrophobicContact CD2-CE 4.41Å; L525-M530 HydrophobicContact CD2-CG 4.45Å; L525-M530 HydrophobicContact CD2-SD 3.64Å; L525-M530 WeakPolarHBondContact O-CB 3.4Å; L525-M530 PolarHBondContact O-N 2.8Å; L525-V531 HydrophobicContact CB-CG2 3.9Å; L525-V531 PolarHBondContact O-N 3.47Å
526	A	93.8	Very high	93.8	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.041	24%	0.236	C	C	.	.	H	α-helix	trans	-72	-37.1	175.1	0	0	0	0	0	112.3	A522 V523 K524 D528 G529 V531 Q533 A536	A522-A526 WeakPolarHBondContact O-CB 3.3Å; A522-A526 PolarHBondContact O-N 3.12Å; V523-A526 WeakPolarHBondContact O-CA 3.21Å; V523-A526 WeakPolarHBondContact O-CB 3.35Å; V523-A526 PolarHBondContact O-N 2.86Å; V523-A526 VanDerWaalsContact O-N 3.09Å; K524-A526 PolarHBondContact O-N 3.17Å; A526-D528 VanDerWaalsContact C-N 3.3Å; A526-G529 PolarHBondContact O-N 3.43Å; A526-G529 VanDerWaalsContact O-N 3.11Å; A526-V531 WeakPolarHBondContact CA-O 3.29Å; A526-V531 HydrophobicContact CB-CG2 3.85Å; A526-Q533 VanDerWaalsContact CB-CD 3.49Å; A526-Q533 HydrophobicContact CB-CG 4.13Å; A526-Q533 PolarHBondContact O-NE2 3.41Å; A526-A536 HydrophobicContact CB-CB 3.97Å
527	Q	92.3	Very high	93.8	Very high	74 Å²	74	47.9 Å²	47.9	35%	0.346	26%	0.257	S	S	.	.	H	α-helix	trans	-65.9	-35.3	174.7	-73.2	-174.3	-39.2	0	0	111.6	V523 K524 G529 Q533 D698	V523-Q527 PolarHBondContact O-N 3.43Å; K524-Q527 PolarHBondContact O-N 3.46Å; K524-Q527 VanDerWaalsContact O-N 3.15Å; Q527-G529 PolarHBondContact O-N 2.95Å; Q527-Q533 VanDerWaalsContact N-NE2 3.14Å; Q527-D698 PolarHBondContact NE2-OD2 3.35Å
528	D	91.9	Very high	93.8	Very high	112 Å²	112	48.8 Å²	48.8	60%	0.599	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-0.4	173.9	-65.8	-21	0	0	0	113.3	K524 A526 M530	K524-D528 PolarHBondContact O-N 3.46Å; A526-D528 VanDerWaalsContact C-N 3.3Å; D528-M530 HydrophobicContact CB-CE 3.87Å; D528-M530 HydrophobicContact CB-CG 4.08Å; D528-M530 PolarHBondContact O-N 3.48Å
529	G	91.2	Very high	93.8	Very high	65 Å²	65	48.2 Å²	48.2	67%	0.67	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	13.2	-179.9	0	0	0	0	0	114.6	L525 A526 Q527	L525-G529 PolarHBondContact O-N 3.19Å; A526-G529 PolarHBondContact O-N 3.43Å; A526-G529 VanDerWaalsContact O-N 3.11Å; Q527-G529 PolarHBondContact O-N 2.95Å
530	M	90.9	Very high	93.9	Very high	128 Å²	128	49.1 Å²	49.1	63%	0.631	26%	0.262	S	S	*	.	S	Bend	trans	-79.1	-26.8	179.6	-56.4	-166.1	-158	0	0	112.5	L525 D528	L525-M530 HydrophobicContact CB-CB 4.44Å; L525-M530 HydrophobicContact CD2-CB 4.4Å; L525-M530 HydrophobicContact CD2-CE 4.41Å; L525-M530 HydrophobicContact CD2-CG 4.45Å; L525-M530 HydrophobicContact CD2-SD 3.64Å; L525-M530 WeakPolarHBondContact O-CB 3.4Å; L525-M530 PolarHBondContact O-N 2.8Å; D528-M530 HydrophobicContact CB-CE 3.87Å; D528-M530 HydrophobicContact CB-CG 4.08Å; D528-M530 PolarHBondContact O-N 3.48Å
531	V	94.3	Very high	93.9	Very high	20 Å²	20	52.6 Å²	52.6	12%	0.121	28%	0.278	C	S	.	.	S	Bend	trans	-137.5	162.8	174.6	-61.1	0	0	0	0	110.7	L490 A493 A494 L525 A526	L490-V531 HydrophobicContact CD1-CB 3.84Å; L490-V531 HydrophobicContact CD1-CG1 3.91Å; L490-V531 HydrophobicContact CD1-CG2 3.93Å; A493-V531 HydrophobicContact CB-CG1 4.15Å; A494-V531 HydrophobicContact CB-CG1 4.06Å; L525-V531 HydrophobicContact CB-CG2 3.9Å; L525-V531 PolarHBondContact O-N 3.47Å; A526-V531 WeakPolarHBondContact CA-O 3.29Å; A526-V531 HydrophobicContact CB-CG2 3.85Å
532	N	93.7	Very high	94.1	Very high	98 Å²	98	48.9 Å²	48.9	52%	0.524	26%	0.264	S	S	.	.			trans	-72	138.1	180	-57	-47.2	0	0	0	111.5	S534 D535 A536	N532-S534 PolarHBondContact O-N 3.3Å; N532-D535 HydrophobicContact CB-CB 4.26Å; N532-D535 WeakPolarHBondContact CB-OD2 3.4Å; N532-D535 PolarHBondContact ND2-OD2 2.77Å; N532-D535 PolarHBondContact O-N 2.87Å; N532-D535 VanDerWaalsContact O-N 3.07Å; N532-A536 PolarHBondContact O-N 2.9Å
533	Q	92.2	Very high	94.1	Very high	71 Å²	71	48.9 Å²	48.9	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-57.7	-36.8	172.4	-72.1	-71.1	-10.5	0	0	112.4	A526 Q527 D535 K537	A526-Q533 VanDerWaalsContact CB-CD 3.49Å; A526-Q533 HydrophobicContact CB-CG 4.13Å; A526-Q533 PolarHBondContact O-NE2 3.41Å; Q527-Q533 VanDerWaalsContact N-NE2 3.14Å; Q533-D535 VanDerWaalsContact C-N 3.3Å; Q533-D535 PolarHBondContact O-N 2.88Å; Q533-K537 VanDerWaalsContact O-CB 3.3Å; Q533-K537 WeakPolarHBondContact O-CB 3.31Å; Q533-K537 PolarHBondContact O-N 3.03Å
534	S	93.8	Very high	94.1	Very high	80 Å²	80	51.1 Å²	51.1	56%	0.559	28%	0.275	S	S	*	.	H	α-helix	trans	-61.7	-37	175.5	53.8	0	0	0	0	112.9	N532 L538	N532-S534 PolarHBondContact O-N 3.3Å; S534-L538 WeakPolarHBondContact O-CB 3.35Å; S534-L538 PolarHBondContact O-N 3.44Å
535	D	95.2	Very high	94.3	Very high	28 Å²	28	49.7 Å²	49.7	15%	0.15	27%	0.267	C	S	.	.	H	α-helix	trans	-77.3	-40.6	-174.7	-56.7	-6.2	0	0	0	109.8	T486 L490 N532 Q533 K537 L538 L539	T486-D535 HydrophobicContact CG2-CB 4.24Å; T486-D535 WeakPolarHBondContact CG2-OD1 3.44Å; L490-D535 HydrophobicContact CB-CB 4.42Å; L490-D535 HydrophobicContact CD1-CB 4.31Å; L490-D535 HydrophobicContact CD2-CB 4.38Å; L490-D535 WeakPolarHBondContact CD2-O 3.17Å; N532-D535 HydrophobicContact CB-CB 4.26Å; N532-D535 WeakPolarHBondContact CB-OD2 3.4Å; N532-D535 PolarHBondContact ND2-OD2 2.77Å; N532-D535 PolarHBondContact O-N 2.87Å; N532-D535 VanDerWaalsContact O-N 3.07Å; Q533-D535 VanDerWaalsContact C-N 3.3Å; Q533-D535 PolarHBondContact O-N 2.88Å; D535-K537 VanDerWaalsContact C-N 3.33Å; D535-L538 PolarHBondContact O-N 2.96Å; D535-L539 PolarHBondContact O-N 3.38Å; D535-L539 VanDerWaalsContact O-N 3.14Å
536	A	93.9	Very high	94.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-38.2	172.4	0	0	0	0	0	112	A522 A526 N532 L539 H540	A522-A536 HydrophobicContact CB-CB 4.06Å; A526-A536 HydrophobicContact CB-CB 3.97Å; N532-A536 PolarHBondContact O-N 2.9Å; A536-L539 PolarHBondContact O-N 3.27Å; A536-H540 PolarHBondContact O-N 2.95Å
537	K	94.8	Very high	94.5	Very high	104 Å²	104	51.1 Å²	51.1	45%	0.452	27%	0.27	S	S	.	.	H	α-helix	trans	-67.3	-42	175.1	-168.6	176.7	-176.7	-173.8	0	112	Q533 D535 L539 H540 E541 W695	Q533-K537 VanDerWaalsContact O-CB 3.3Å; Q533-K537 WeakPolarHBondContact O-CB 3.31Å; Q533-K537 PolarHBondContact O-N 3.03Å; D535-K537 VanDerWaalsContact C-N 3.33Å; K537-L539 VanDerWaalsContact C-N 3.29Å; K537-L539 PolarHBondContact O-N 2.87Å; K537-H540 PolarHBondContact O-N 3.39Å; K537-H540 VanDerWaalsContact O-N 3.11Å; K537-E541 WeakPolarHBondContact CE-OE1 3.14Å; K537-E541 HydrophobicContact CG-CG 4.33Å; K537-E541 IonicContact NZ-OE1 2.8Å; K537-E541 WeakPolarHBondContact O-CG 3.49Å; K537-E541 PolarHBondContact O-N 3.33Å; K537-W695 HydrophobicContact CB-CZ2 4.13Å; K537-W695 HydrophobicContact CG-CZ2 4.46Å
538	L	96.3	Very high	94.6	Very high	20 Å²	20	50.9 Å²	50.9	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-57	-43	174.9	178.2	61.8	0	0	0	111.5	E483 T486 V487 S534 D535 H540 E541 M542	E483-L538 HydrophobicContact CB-CD2 4.35Å; E483-L538 HydrophobicContact CG-CD1 4.26Å; E483-L538 HydrophobicContact CG-CD2 4.45Å; T486-L538 HydrophobicContact CG2-CD2 3.92Å; V487-L538 HydrophobicContact CG2-CD2 3.8Å; V487-L538 HydrophobicContact CG2-CG 4.05Å; S534-L538 WeakPolarHBondContact O-CB 3.35Å; S534-L538 PolarHBondContact O-N 3.44Å; D535-L538 PolarHBondContact O-N 2.96Å; L538-H540 VanDerWaalsContact C-N 3.27Å; L538-H540 PolarHBondContact O-N 3.46Å; L538-E541 PolarHBondContact O-N 3.28Å; L538-M542 HydrophobicContact CD1-CG 4.09Å; L538-M542 HydrophobicContact CD1-SD 4.25Å; L538-M542 HydrophobicContact CG-CG 4.34Å; L538-M542 HydrophobicContact CG-SD 3.97Å; L538-M542 WeakPolarHBondContact O-CB 3.33Å; L538-M542 WeakPolarHBondContact O-CG 3.37Å; L538-M542 PolarHBondContact O-N 3.12Å
539	L	96	Very high	94.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-56.9	-39.4	176.8	178.6	61.1	0	0	0	112.7	V487 L490 L517 V519 A522 D535 A536 K537 L567 L673	V487-L539 HydrophobicContact CG1-CD1 4.29Å; L490-L539 HydrophobicContact CD2-CB 4.13Å; L490-L539 HydrophobicContact CD2-CD2 4.15Å; L517-L539 HydrophobicContact CD2-CD2 4.27Å; L517-L539 HydrophobicContact CG-CD2 4.47Å; V519-L539 HydrophobicContact CG2-CG 4.49Å; A522-L539 HydrophobicContact CB-CD2 3.95Å; D535-L539 PolarHBondContact O-N 3.38Å; D535-L539 VanDerWaalsContact O-N 3.14Å; A536-L539 PolarHBondContact O-N 3.27Å; K537-L539 VanDerWaalsContact C-N 3.29Å; K537-L539 PolarHBondContact O-N 2.87Å; L539-L567 HydrophobicContact CD1-CB 4.13Å; L539-L567 HydrophobicContact CD1-CD2 4.19Å; L539-L567 HydrophobicContact CD2-CD2 4.47Å; L539-L673 HydrophobicContact CD1-CD1 3.76Å; L539-L673 HydrophobicContact CD1-CD2 4.46Å
540	H	95.4	Very high	94.9	Very high	23 Å²	23	42.5 Å²	42.5	11%	0.106	21%	0.213	C	C	.	.	H	α-helix	trans	-71.9	-46.1	175.3	170.5	-82.6	0	0	0	112.7	V519 A536 K537 L538 M542 G543 E544 R688 E692 W695	V519-H540 HydrophobicContact CG1-CB 3.98Å; A536-H540 PolarHBondContact O-N 2.95Å; K537-H540 PolarHBondContact O-N 3.39Å; K537-H540 VanDerWaalsContact O-N 3.11Å; L538-H540 VanDerWaalsContact C-N 3.27Å; L538-H540 PolarHBondContact O-N 3.46Å; H540-M542 PolarHBondContact O-N 3.34Å; H540-G543 WeakPolarHBondContact O-CA 3.46Å; H540-G543 PolarHBondContact O-N 3.44Å; H540-E544 PolarHBondContact O-N 2.8Å; H540-E544 VanDerWaalsContact O-N 3.14Å; H540-R688 VanDerWaalsContact CD2-CZ 3.45Å; H540-R688 PolarHBondContact CD2-NH2 3.38Å; H540-R688 VanDerWaalsContact NE2-CZ 3.32Å; H540-R688 PolarHBondContact NE2-NH1 2.82Å; H540-R688 PolarHBondContact NE2-NH2 3.35Å; H540-R688 PolarHBondContact O-NH2 3.3Å; H540-E692 IonicContact CD2-OE1 3.77Å; H540-E692 IonicContact CE1-OE1 3.7Å; H540-E692 WeakPolarHBondContact NE2-CG 3.36Å; H540-E692 IonicContact NE2-OE1 3.56Å; H540-E692 PolarHBondContact NE2-OE1 2.87Å; H540-W695 HydrophobicContact CB-CH2 3.44Å; H540-W695 VanDerWaalsContact CB-CH2 3.44Å; H540-W695 HydrophobicContact CB-CZ3 3.71Å; H540-W695 AromaticContact CD2-CZ3 3.7Å; H540-W695 AromaticContact CG-CH2 3.85Å; H540-W695 AromaticContact CG-CZ3 3.54Å; H540-W695 AromaticContact ND1-CZ3 4Å
541	E	95.7	Very high	94.9	Very high	83 Å²	83	39.4 Å²	39.4	39%	0.388	20%	0.197	S	C	.	.	H	α-helix	trans	-60.9	-34.6	-179.7	-73	176.6	175.7	0	0	111.9	K537 L538 G543 E544 R545	K537-E541 WeakPolarHBondContact CE-OE1 3.14Å; K537-E541 HydrophobicContact CG-CG 4.33Å; K537-E541 IonicContact NZ-OE1 2.8Å; K537-E541 WeakPolarHBondContact O-CG 3.49Å; K537-E541 PolarHBondContact O-N 3.33Å; L538-E541 PolarHBondContact O-N 3.28Å; E541-G543 VanDerWaalsContact C-N 3.34Å; E541-E544 PolarHBondContact O-N 2.86Å; E541-R545 WeakPolarHBondContact O-CB 3.5Å; E541-R545 PolarHBondContact O-N 2.81Å
542	M	96.3	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-41.2	173	-72.3	174.6	43.8	0	0	112.2	L479 V487 L538 H540 R545 V546 L617 L619 L673	L479-M542 HydrophobicContact CD1-CE 3.33Å; L479-M542 HydrophobicContact CD1-SD 4.13Å; L479-M542 HydrophobicContact CD2-CB 4.44Å; L479-M542 HydrophobicContact CD2-CE 3.85Å; L479-M542 HydrophobicContact CD2-CG 3.58Å; L479-M542 HydrophobicContact CD2-SD 3.83Å; L479-M542 HydrophobicContact CG-CE 4.2Å; V487-M542 HydrophobicContact CB-SD 4.46Å; V487-M542 HydrophobicContact CG2-CE 4.25Å; V487-M542 HydrophobicContact CG2-SD 3.47Å; V487-M542 WeakPolarHBondContact CG2-SD 3.23Å; L538-M542 HydrophobicContact CD1-CG 4.09Å; L538-M542 HydrophobicContact CD1-SD 4.25Å; L538-M542 HydrophobicContact CG-CG 4.34Å; L538-M542 HydrophobicContact CG-SD 3.97Å; L538-M542 WeakPolarHBondContact O-CB 3.33Å; L538-M542 WeakPolarHBondContact O-CG 3.37Å; L538-M542 PolarHBondContact O-N 3.12Å; H540-M542 PolarHBondContact O-N 3.34Å; M542-R545 PolarHBondContact O-N 3.23Å; M542-V546 WeakPolarHBondContact O-CG2 3.45Å; M542-V546 PolarHBondContact O-N 3.38Å; M542-L617 HydrophobicContact CB-CD2 4.46Å; M542-L617 HydrophobicContact CE-CD2 3.79Å; M542-L619 HydrophobicContact CE-CD2 3.74Å; M542-L673 HydrophobicContact CB-CD2 4.19Å; M542-L673 HydrophobicContact CE-CD2 4.37Å
543	G	95.9	Very high	94.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-44.7	173.6	0	0	0	0	0	112	H540 E541 R545 V546 R547 F562	H540-G543 WeakPolarHBondContact O-CA 3.46Å; H540-G543 PolarHBondContact O-N 3.44Å; E541-G543 VanDerWaalsContact C-N 3.34Å; G543-R545 PolarHBondContact O-N 3.47Å; G543-V546 PolarHBondContact O-N 2.98Å; G543-R547 PolarHBondContact O-N 3.29Å; G543-F562 WeakPolarHBondContact O-CZ 3.4Å
544	E	95.8	Very high	94.6	Very high	46 Å²	46	31.9 Å²	31.9	22%	0.215	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-42.8	175.6	-74.2	-55.3	138.6	0	0	112.3	H540 E541 V546 R547 T548 F562 R688	H540-E544 PolarHBondContact O-N 2.8Å; H540-E544 VanDerWaalsContact O-N 3.14Å; E541-E544 PolarHBondContact O-N 2.86Å; E544-V546 VanDerWaalsContact C-N 3.33Å; E544-V546 PolarHBondContact O-N 2.82Å; E544-R547 WeakPolarHBondContact O-CB 3.29Å; E544-R547 PolarHBondContact O-N 3.21Å; E544-R547 VanDerWaalsContact O-N 3.17Å; E544-R547 IonicContact OE1-NE 3.06Å; E544-R547 IonicContact OE2-CZ 3.03Å; E544-R547 VanDerWaalsContact OE2-CZ 3.25Å; E544-R547 IonicContact OE2-NE 3.59Å; E544-R547 PolarHBondContact OE2-NE 3.02Å; E544-R547 IonicContact OE2-NH2 3.79Å; E544-R547 PolarHBondContact OE2-NH2 3Å; E544-T548 PolarHBondContact O-N 3.25Å; E544-T548 PolarHBondContact O-OG1 3.46Å; E544-F562 WeakPolarHBondContact OE1-CE2 3.43Å; E544-R688 IonicContact OE1-CZ 3.31Å; E544-R688 IonicContact OE1-NH1 3.4Å; E544-R688 PolarHBondContact OE1-NH1 3.1Å; E544-R688 IonicContact OE1-NH2 2.77Å; E544-R688 PolarHBondContact OE1-NH2 3.01Å
545	R	96.3	Very high	94.3	Very high	54 Å²	54	34.9 Å²	34.9	20%	0.204	16%	0.16	C	C	.	.	H	α-helix	trans	-57.2	-48.4	176.7	-169.6	-176.8	-68.2	174.7	10.6	110.6	Q455 V478 E483 E541 M542 G543 T548 L549	Q455-R545 VanDerWaalsContact NE2-CD 3.34Å; V478-R545 HydrophobicContact CG1-CG 4.34Å; V478-R545 WeakPolarHBondContact O-CD 3.48Å; V478-R545 PolarHBondContact O-NH1 3.11Å; E483-R545 IonicContact OE1-CZ 2.65Å; E483-R545 IonicContact OE1-NH1 2.69Å; E483-R545 PolarHBondContact OE1-NH1 3.49Å; E483-R545 VanDerWaalsContact OE1-NH1 3.16Å; E483-R545 IonicContact OE1-NH2 3.64Å; E483-R545 PolarHBondContact OE1-NH2 3.1Å; E483-R545 IonicContact OE2-CZ 2.78Å; E483-R545 IonicContact OE2-NH1 3.53Å; E483-R545 PolarHBondContact OE2-NH1 3.27Å; E483-R545 IonicContact OE2-NH2 3.72Å; E541-R545 WeakPolarHBondContact O-CB 3.5Å; E541-R545 PolarHBondContact O-N 2.81Å; M542-R545 PolarHBondContact O-N 3.23Å; G543-R545 PolarHBondContact O-N 3.47Å; R545-T548 PolarHBondContact O-N 3.04Å; R545-L549 HydrophobicContact CG-CD1 4.28Å; R545-L549 VanDerWaalsContact O-CG 3.25Å; R545-L549 WeakPolarHBondContact O-CG 3.31Å; R545-L549 PolarHBondContact O-N 3.01Å
546	V	97.4	Very high	93.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-47.2	175	172.8	0	0	0	0	111.1	V478 M542 G543 E544 T548 L549 L550 A615 L617 L649 L675 F677	V478-V546 HydrophobicContact CG1-CG2 4.4Å; M542-V546 WeakPolarHBondContact O-CG2 3.45Å; M542-V546 PolarHBondContact O-N 3.38Å; G543-V546 PolarHBondContact O-N 2.98Å; E544-V546 VanDerWaalsContact C-N 3.33Å; E544-V546 PolarHBondContact O-N 2.82Å; V546-T548 VanDerWaalsContact C-N 3.33Å; V546-T548 PolarHBondContact O-N 2.9Å; V546-L549 PolarHBondContact O-N 3.36Å; V546-L550 HydrophobicContact CG1-CD1 3.87Å; V546-L550 HydrophobicContact CG1-CG 4.06Å; V546-L550 WeakPolarHBondContact O-CB 3.37Å; V546-L550 WeakPolarHBondContact O-CG 3.31Å; V546-L550 PolarHBondContact O-N 2.92Å; V546-A615 HydrophobicContact CG1-CB 3.82Å; V546-L617 HydrophobicContact CG2-CB 4.37Å; V546-L617 HydrophobicContact CG2-CD2 3.84Å; V546-L649 HydrophobicContact CB-CD1 4.47Å; V546-L649 HydrophobicContact CB-CD2 4.44Å; V546-L649 HydrophobicContact CG1-CD1 3.75Å; V546-L649 HydrophobicContact CG1-CD2 3.96Å; V546-L649 HydrophobicContact CG2-CD1 3.84Å; V546-L649 HydrophobicContact CG2-CD2 4.13Å; V546-L675 HydrophobicContact CB-CD1 3.64Å; V546-L675 HydrophobicContact CG1-CD1 3.53Å; V546-L675 HydrophobicContact CG2-CD1 3.76Å; V546-F677 HydrophobicContact CG1-CE2 4.39Å; V546-F677 HydrophobicContact CG1-CZ 4.16Å
547	R	95.4	Very high	92.2	Very high	66 Å²	66	37.3 Å²	37.3	25%	0.249	18%	0.177	C	C	.	.	H	α-helix	trans	-56.4	-46.9	178.5	-170.6	-177.7	64.9	81.3	4.8	111.5	G543 E544 H551 L560 F562 F677	G543-R547 PolarHBondContact O-N 3.29Å; E544-R547 WeakPolarHBondContact O-CB 3.29Å; E544-R547 PolarHBondContact O-N 3.21Å; E544-R547 VanDerWaalsContact O-N 3.17Å; E544-R547 IonicContact OE1-NE 3.06Å; E544-R547 IonicContact OE2-CZ 3.03Å; E544-R547 VanDerWaalsContact OE2-CZ 3.25Å; E544-R547 IonicContact OE2-NE 3.59Å; E544-R547 PolarHBondContact OE2-NE 3.02Å; E544-R547 IonicContact OE2-NH2 3.79Å; E544-R547 PolarHBondContact OE2-NH2 3Å; R547-H551 WeakPolarHBondContact O-CB 3.49Å; R547-H551 PolarHBondContact O-N 3.46Å; R547-L560 WeakPolarHBondContact CD-O 3Å; R547-L560 HydrophobicContact CG-CD2 4.04Å; R547-L560 HydrophobicContact CG-CG 4.43Å; R547-F562 HydrophobicContact CB-CE1 4.45Å; R547-F562 HydrophobicContact CB-CE2 4.28Å; R547-F562 HydrophobicContact CB-CZ 3.76Å; R547-F562 VanDerWaalsContact CD-CE2 3.46Å; R547-F562 HydrophobicContact CG-CE2 4.38Å; R547-F562 HydrophobicContact CG-CZ 4.3Å; R547-F677 HydrophobicContact CB-CE1 3.69Å; R547-F677 HydrophobicContact CB-CZ 4.16Å; R547-F677 HydrophobicContact CG-CD1 4.16Å; R547-F677 HydrophobicContact CG-CE1 3.72Å
548	T	94.4	Very high	90.8	Very high	68 Å²	68	38.4 Å²	38.4	42%	0.417	20%	0.198	S	C	.	.	H	α-helix	trans	-62.9	-45.6	178.4	-63.9	0	0	0	0	112.2	P454 E544 R545 V546 S552	P454-T548 HydrophobicContact CG-CG2 4.32Å; E544-T548 PolarHBondContact O-N 3.25Å; E544-T548 PolarHBondContact O-OG1 3.46Å; R545-T548 PolarHBondContact O-N 3.04Å; V546-T548 VanDerWaalsContact C-N 3.33Å; V546-T548 PolarHBondContact O-N 2.9Å; T548-S552 WeakPolarHBondContact O-CB 3.27Å; T548-S552 PolarHBondContact O-N 3.45Å; T548-S552 VanDerWaalsContact O-N 3.12Å
549	L	95.5	Very high	89.8	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-48.9	178.6	-71.2	169	0	0	0	111.3	V453 Q455 V458 L475 V478 R545 V546 S552 Y553 L649	V453-L549 HydrophobicContact CG1-CD2 3.71Å; Q455-L549 HydrophobicContact CB-CD2 3.8Å; V458-L549 HydrophobicContact CB-CD2 4.45Å; V458-L549 HydrophobicContact CG1-CD1 4.41Å; V458-L549 HydrophobicContact CG1-CD2 4.2Å; V458-L549 HydrophobicContact CG2-CD1 4.47Å; V458-L549 HydrophobicContact CG2-CD2 4.37Å; L475-L549 HydrophobicContact CD1-CB 4.17Å; V478-L549 HydrophobicContact CB-CD1 4.38Å; V478-L549 HydrophobicContact CG1-CD1 3.83Å; V478-L549 HydrophobicContact CG2-CD1 3.76Å; R545-L549 HydrophobicContact CG-CD1 4.28Å; R545-L549 VanDerWaalsContact O-CG 3.25Å; R545-L549 WeakPolarHBondContact O-CG 3.31Å; R545-L549 PolarHBondContact O-N 3.01Å; V546-L549 PolarHBondContact O-N 3.36Å; L549-S552 PolarHBondContact O-N 3.45Å; L549-Y553 WeakPolarHBondContact O-CB 3.05Å; L549-Y553 PolarHBondContact O-N 3.14Å; L549-L649 HydrophobicContact CD1-CD2 4.38Å
550	L	94.2	Very high	89.6	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-73.5	-38.9	-177.2	-65.6	-165.7	0	0	0	112.7	V473 V546 S552 Y553 F554 L613 A615 L649 F677	V473-L550 HydrophobicContact CG1-CD2 4.27Å; V546-L550 HydrophobicContact CG1-CD1 3.87Å; V546-L550 HydrophobicContact CG1-CG 4.06Å; V546-L550 WeakPolarHBondContact O-CB 3.37Å; V546-L550 WeakPolarHBondContact O-CG 3.31Å; V546-L550 PolarHBondContact O-N 2.92Å; L550-S552 PolarHBondContact O-N 3.36Å; L550-Y553 PolarHBondContact O-N 3.28Å; L550-F554 HydrophobicContact CB-CD2 4.17Å; L550-F554 HydrophobicContact CD2-CD2 4.22Å; L550-F554 HydrophobicContact CD2-CE2 3.9Å; L550-F554 VanDerWaalsContact O-CB 3.31Å; L550-F554 WeakPolarHBondContact O-CB 3.49Å; L550-F554 PolarHBondContact O-N 3.02Å; L550-L613 HydrophobicContact CB-CD2 3.72Å; L550-L613 HydrophobicContact CD1-CD2 3.88Å; L550-L613 HydrophobicContact CD1-CG 4.44Å; L550-L613 HydrophobicContact CG-CD2 4.44Å; L550-A615 HydrophobicContact CD1-CB 3.49Å; L550-A615 VanDerWaalsContact CD1-CB 3.49Å; L550-L649 HydrophobicContact CD2-CD2 3.98Å; L550-L649 HydrophobicContact CG-CD2 4.29Å; L550-F677 HydrophobicContact CD1-CE2 4.21Å
551	H	91	Very high	89.5	Confident	63 Å²	63	40.5 Å²	40.5	29%	0.292	21%	0.214	S	C	.	.	H	α-helix	trans	-55.5	-40.8	173.1	-172.2	76.5	0	0	0	111.4	R547 R555 S556 L560	R547-H551 WeakPolarHBondContact O-CB 3.49Å; R547-H551 PolarHBondContact O-N 3.46Å; H551-R555 PolarHBondContact O-N 3.4Å; H551-S556 WeakPolarHBondContact CA-OG 3.29Å; H551-S556 PolarHBondContact CE1-OG 3.35Å; H551-S556 VanDerWaalsContact CG-OG 3.29Å; H551-S556 PolarHBondContact ND1-OG 3.1Å; H551-S556 PolarHBondContact O-N 3.38Å; H551-S556 PolarHBondContact O-OG 3.11Å; H551-L560 HydrophobicContact CB-CD2 3.95Å
552	S	90.6	Very high	89.5	Confident	29 Å²	29	37.1 Å²	37.1	20%	0.203	20%	0.198	C	C	.	.	H	α-helix	trans	-74.5	-49.7	177.7	-172	0	0	0	0	112.5	G451 P452 T548 L549 L550 F554 R555	G451-S552 WeakPolarHBondContact CA-O 3.08Å; P452-S552 WeakPolarHBondContact O-CB 3.31Å; P452-S552 PolarHBondContact O-OG 2.94Å; T548-S552 WeakPolarHBondContact O-CB 3.27Å; T548-S552 PolarHBondContact O-N 3.45Å; T548-S552 VanDerWaalsContact O-N 3.12Å; L549-S552 PolarHBondContact O-N 3.45Å; L550-S552 PolarHBondContact O-N 3.36Å; S552-F554 PolarHBondContact O-N 3.47Å; S552-R555 PolarHBondContact O-N 3.03Å
553	Y	92.6	Very high	89.4	Confident	3 Å²	3	37.9 Å²	37.9	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-40.9	-176.5	-178.9	-94.7	0	0	0	112.5	A449 G450 G451 V453 I460 V473 L549 L550 R555	A449-Y553 HydrophobicContact CB-CE1 3.67Å; G450-Y553 PolarHBondContact N-O 2.92Å; G451-Y553 VanDerWaalsContact CA-O 3.3Å; G451-Y553 WeakPolarHBondContact CA-O 3.47Å; G451-Y553 PolarHBondContact N-O 2.8Å; G451-Y553 WeakPolarHBondContact O-CD2 3.22Å; V453-Y553 HydrophobicContact CG2-CD2 4.26Å; I460-Y553 HydrophobicContact CD1-CD2 4.26Å; I460-Y553 HydrophobicContact CD1-CE2 3.76Å; I460-Y553 HydrophobicContact CG1-CE2 4.23Å; V473-Y553 HydrophobicContact CB-CD1 3.96Å; V473-Y553 HydrophobicContact CB-CE1 3.39Å; V473-Y553 HydrophobicContact CB-CE2 4.5Å; V473-Y553 HydrophobicContact CG1-CD1 3.72Å; V473-Y553 HydrophobicContact CG1-CE1 3.7Å; V473-Y553 HydrophobicContact CG1-CG 4.41Å; V473-Y553 HydrophobicContact CG2-CD1 4.23Å; V473-Y553 HydrophobicContact CG2-CD2 4.4Å; V473-Y553 HydrophobicContact CG2-CE1 3.68Å; V473-Y553 HydrophobicContact CG2-CE2 3.86Å; V473-Y553 VanDerWaalsContact CG2-CZ 3.44Å; L549-Y553 WeakPolarHBondContact O-CB 3.05Å; L549-Y553 PolarHBondContact O-N 3.14Å; L550-Y553 PolarHBondContact O-N 3.28Å; Y553-R555 VanDerWaalsContact C-N 3.3Å; Y553-R555 PolarHBondContact O-N 3.2Å
554	F	91.1	Very high	89.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	6.9	179.6	-73.3	-62.5	0	0	0	113.9	F447 Y448 A449 N471 V473 L550 S552 S556 L613	F447-F554 WeakPolarHBondContact CA-O 3.42Å; F447-F554 HydrophobicContact CB-CB 3.97Å; F447-F554 HydrophobicContact CB-CD1 4.29Å; F447-F554 HydrophobicContact CB-CG 4.4Å; F447-F554 HydrophobicContact CD1-CB 3.82Å; F447-F554 HydrophobicContact CG-CB 4.15Å; Y448-F554 PolarHBondContact N-O 2.95Å; Y448-F554 CarbonylContact O-C 3.58Å; Y448-F554 WeakPolarHBondContact O-CA 3.02Å; A449-F554 HydrophobicContact CB-CD1 4.23Å; A449-F554 HydrophobicContact CB-CE1 4.09Å; N471-F554 VanDerWaalsContact C-CE1 3.4Å; N471-F554 HydrophobicContact CB-CD1 4.36Å; N471-F554 HydrophobicContact CB-CE1 4Å; N471-F554 VanDerWaalsContact O-CE1 3.28Å; N471-F554 WeakPolarHBondContact O-CE1 3.39Å; N471-F554 WeakPolarHBondContact O-CZ 3.44Å; V473-F554 HydrophobicContact CG1-CE2 4.04Å; V473-F554 HydrophobicContact CG1-CZ 3.89Å; L550-F554 HydrophobicContact CB-CD2 4.17Å; L550-F554 HydrophobicContact CD2-CD2 4.22Å; L550-F554 HydrophobicContact CD2-CE2 3.9Å; L550-F554 VanDerWaalsContact O-CB 3.31Å; L550-F554 WeakPolarHBondContact O-CB 3.49Å; L550-F554 PolarHBondContact O-N 3.02Å; S552-F554 PolarHBondContact O-N 3.47Å; F554-S556 PolarHBondContact O-N 3.36Å; F554-L613 HydrophobicContact CD2-CD1 3.64Å; F554-L613 HydrophobicContact CD2-CD2 3.92Å; F554-L613 HydrophobicContact CD2-CG 4.37Å; F554-L613 HydrophobicContact CE2-CD1 3.79Å; F554-L613 HydrophobicContact CE2-CD2 4.44Å; F554-L613 HydrophobicContact CG-CD1 4.1Å; F554-L613 HydrophobicContact CZ-CD1 4.4Å
555	R	86.4	Confident	89.3	Confident	143 Å²	143	37.8 Å²	37.8	54%	0.54	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	40.9	176.2	-61.1	179.9	-79.8	167.5	-13.3	112.6	Y448 A449 H551 S552 Y553	Y448-R555 VanDerWaalsContact CB-CZ 3.41Å; Y448-R555 PolarHBondContact O-NE 3.01Å; A449-R555 PolarHBondContact O-NH2 3.24Å; H551-R555 PolarHBondContact O-N 3.4Å; S552-R555 PolarHBondContact O-N 3.03Å; Y553-R555 VanDerWaalsContact C-N 3.3Å; Y553-R555 PolarHBondContact O-N 3.2Å
556	S	77.2	Confident	89.2	Confident	14 Å²	14	35.3 Å²	35.3	10%	0.098	19%	0.192	C	C	.	.			trans	-69.1	152.4	-168.5	58.9	0	0	0	0	113	F447 H551 F554	F447-S556 VanDerWaalsContact CD1-CB 3.44Å; H551-S556 WeakPolarHBondContact CA-OG 3.29Å; H551-S556 PolarHBondContact CE1-OG 3.35Å; H551-S556 VanDerWaalsContact CG-OG 3.29Å; H551-S556 PolarHBondContact ND1-OG 3.1Å; H551-S556 PolarHBondContact O-N 3.38Å; H551-S556 PolarHBondContact O-OG 3.11Å; F554-S556 PolarHBondContact O-N 3.36Å
557	P	68.8	Low	89.2	Confident	64 Å²	64	35.4 Å²	35.4	42%	0.416	19%	0.193	S	C	.	.			trans	-61.4	165.9	176.1	23.8	-32.2	0	0	0	113	G559 K679	P557-G559 PolarHBondContact O-N 3.02Å; P557-K679 HydrophobicContact CG-CD 3.76Å; P557-K679 HydrophobicContact CG-CG 4.29Å
558	S	64.4	Low	89.3	Confident	128 Å²	128	33.1 Å²	33.1	90%	0.895	19%	0.186	S	C	*	.	S	Bend	trans	-64.8	103.4	-177.4	57.1	0	0	0	0	111.7
559	G	76.1	Confident	89.4	Confident	25 Å²	25	30 Å²	30	26%	0.258	17%	0.166	S	C	.	.			trans	123.7	81.3	175.8	0	0	0	0	0	112.9	P557 K679	P557-G559 PolarHBondContact O-N 3.02Å; G559-K679 WeakPolarHBondContact O-CA 3.43Å
560	L	90.4	Very high	89.4	Confident	8 Å²	8	30.6 Å²	30.6	4%	0.042	17%	0.169	C	C	.	.			trans	-106.8	109.5	170.5	-170.8	69.5	0	0	0	108.5	F447 R547 H551 L613 F677	F447-L560 HydrophobicContact CE1-CD1 4.19Å; F447-L560 HydrophobicContact CZ-CD1 4.12Å; R547-L560 WeakPolarHBondContact CD-O 3Å; R547-L560 HydrophobicContact CG-CD2 4.04Å; R547-L560 HydrophobicContact CG-CG 4.43Å; H551-L560 HydrophobicContact CB-CD2 3.95Å; L560-L613 HydrophobicContact CD2-CD2 4.29Å; L560-F677 HydrophobicContact CD1-CB 3.55Å; L560-F677 HydrophobicContact CD1-CG 4.26Å; L560-F677 HydrophobicContact CD2-CB 4.49Å; L560-F677 HydrophobicContact CD2-CD1 4.3Å; L560-F677 HydrophobicContact CD2-CG 4.33Å; L560-F677 HydrophobicContact CG-CB 3.91Å; L560-F677 HydrophobicContact CG-CD1 4.1Å; L560-F677 HydrophobicContact CG-CG 4.16Å
561	H	93.6	Very high	89.4	Confident	55 Å²	55	31.6 Å²	31.6	26%	0.255	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.2	-177.1	-59.2	-72.9	0	0	0	110.5	S563 F677 T678 R684	H561-S563 PolarHBondContact O-N 2.97Å; H561-F677 CarbonylContact O-C 3.52Å; H561-F677 WeakPolarHBondContact O-CA 3.37Å; H561-F677 WeakPolarHBondContact O-CB 3.4Å; H561-T678 HydrophobicContact CB-CG2 4.13Å; H561-T678 PolarHBondContact N-O 2.91Å; H561-T678 PolarHBondContact O-N 3.48Å; H561-R684 HydrophobicContact CB-CB 3.97Å
562	F	95.9	Very high	89.5	Confident	12 Å²	12	29.7 Å²	29.7	5%	0.053	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.4	169.3	-65.1	-91.7	0	0	0	108.6	G543 E544 R547 T565 L675 F677 R684 D685 R688	G543-F562 WeakPolarHBondContact O-CZ 3.4Å; E544-F562 WeakPolarHBondContact OE1-CE2 3.43Å; R547-F562 HydrophobicContact CB-CE1 4.45Å; R547-F562 HydrophobicContact CB-CE2 4.28Å; R547-F562 HydrophobicContact CB-CZ 3.76Å; R547-F562 VanDerWaalsContact CD-CE2 3.46Å; R547-F562 HydrophobicContact CG-CE2 4.38Å; R547-F562 HydrophobicContact CG-CZ 4.3Å; F562-T565 WeakPolarHBondContact CD1-OG1 3.27Å; F562-L675 HydrophobicContact CD1-CD2 4.18Å; F562-L675 HydrophobicContact CE1-CD2 3.95Å; F562-F677 HydrophobicContact CD1-CD1 4.08Å; F562-F677 AromaticContact CD1-CE1 3.52Å; F562-F677 HydrophobicContact CD1-CE1 3.52Å; F562-F677 HydrophobicContact CD1-CZ 4.24Å; F562-F677 HydrophobicContact CE1-CD1 4.31Å; F562-F677 AromaticContact CE1-CE1 3.35Å; F562-F677 HydrophobicContact CE1-CE1 3.35Å; F562-F677 AromaticContact CE1-CZ 3.89Å; F562-F677 HydrophobicContact CE1-CZ 3.89Å; F562-F677 HydrophobicContact CE2-CE1 4.45Å; F562-F677 HydrophobicContact CG-CD1 4.39Å; F562-F677 HydrophobicContact CG-CE1 4.17Å; F562-F677 AromaticContact CZ-CE1 3.86Å; F562-F677 HydrophobicContact CZ-CE1 3.86Å; F562-R684 CarbonylContact O-C 3.49Å; F562-R684 WeakPolarHBondContact O-CA 3.49Å; F562-D685 HydrophobicContact CB-CB 4.24Å; F562-D685 PolarHBondContact O-N 3.17Å; F562-R688 VanDerWaalsContact CD2-CZ 3.5Å; F562-R688 VanDerWaalsContact CD2-NH1 3.32Å; F562-R688 VanDerWaalsContact CE2-NH2 3.33Å; F562-R688 VanDerWaalsContact CZ-NH2 3.31Å
563	S	93.9	Very high	89.3	Confident	15 Å²	15	31.2 Å²	31.2	11%	0.105	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-41.8	166	162.4	0	0	0	0	109.5	H561 H610 W676 D685	H561-S563 PolarHBondContact O-N 2.97Å; S563-H610 PolarHBondContact OG-NE2 3.26Å; S563-W676 PolarHBondContact N-O 3.13Å; S563-D685 WeakPolarHBondContact O-CB 3.08Å
564	Y	94.5	Very high	88.8	Confident	42 Å²	42	37.8 Å²	37.8	17%	0.165	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	148	176.4	-170.4	-119.2	0	0	0	112	H566 W676 L745	Y564-H566 HydrophobicContact CD1-CB 4.21Å; Y564-H566 HydrophobicContact CE1-CB 3.56Å; Y564-H566 AromaticContact CE1-CG 3.92Å; Y564-H566 AromaticContact CE1-ND1 3.89Å; Y564-W676 AromaticContact CD1-CE3 3.77Å; Y564-W676 HydrophobicContact CD1-CE3 3.77Å; Y564-W676 AromaticContact CD1-CZ3 3.56Å; Y564-W676 HydrophobicContact CD1-CZ3 3.56Å; Y564-W676 HydrophobicContact CE1-CZ3 4.22Å; Y564-W676 HydrophobicContact CG-CE3 4.4Å; Y564-W676 PolarHBondContact N-O 3.19Å; Y564-W676 PolarHBondContact O-N 3.44Å; Y564-L745 HydrophobicContact CD1-CD1 4.33Å; Y564-L745 HydrophobicContact CD1-CD2 3.62Å; Y564-L745 HydrophobicContact CD1-CG 4.46Å; Y564-L745 HydrophobicContact CE1-CD1 3.37Å; Y564-L745 HydrophobicContact CE1-CD2 3.54Å; Y564-L745 HydrophobicContact CE1-CG 3.91Å
565	T	94.9	Very high	87.9	Confident	3 Å²	3	42 Å²	42	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.2	175.6	-61.4	0	0	0	0	111.2	V519 F562 L673 L675	V519-T565 HydrophobicContact CG2-CG2 3.77Å; F562-T565 WeakPolarHBondContact CD1-OG1 3.27Å; T565-L673 HydrophobicContact CG2-CD1 3.75Å; T565-L673 HydrophobicContact CG2-CG 4.44Å; T565-L675 HydrophobicContact CG2-CD2 3.51Å; T565-L675 WeakPolarHBondContact OG1-CD2 3.5Å
566	H	95.4	Very high	87.2	Confident	3 Å²	3	38 Å²	38	1%	0.014	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	117	-176.9	-160.1	-179.4	0	0	0	112.4	D499 F514 G516 Y564 V568 A674 W676	D499-H566 IonicContact OD2-NE2 3.49Å; F514-H566 AromaticContact CE1-CE1 3.97Å; F514-H566 AromaticContact CZ-CE1 3.87Å; G516-H566 WeakPolarHBondContact CA-NE2 3.29Å; Y564-H566 HydrophobicContact CD1-CB 4.21Å; Y564-H566 HydrophobicContact CE1-CB 3.56Å; Y564-H566 AromaticContact CE1-CG 3.92Å; Y564-H566 AromaticContact CE1-ND1 3.89Å; H566-V568 HydrophobicContact CB-CG2 4.03Å; H566-V568 PolarHBondContact O-N 2.69Å; H566-A674 PolarHBondContact N-O 3.25Å; H566-A674 PolarHBondContact O-N 3.02Å; H566-W676 HydrophobicContact CB-CZ3 4.34Å
567	L	97.5	Very high	87.4	Confident	2 Å²	2	39 Å²	39	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.4	166.9	175.5	62.5	0	0	0	108.5	V487 A491 G516 L517 L539 L619 L673	V487-L567 HydrophobicContact CG1-CD1 4.06Å; V487-L567 HydrophobicContact CG1-CD2 3.83Å; A491-L567 HydrophobicContact CB-CD2 3.81Å; A491-L567 HydrophobicContact CB-CG 4.4Å; G516-L567 CarbonylContact C-O 3.33Å; G516-L567 VanDerWaalsContact CA-O 3.23Å; G516-L567 WeakPolarHBondContact CA-O 3.36Å; L517-L567 HydrophobicContact CB-CB 4.23Å; L517-L567 HydrophobicContact CB-CD2 4.32Å; L517-L567 HydrophobicContact CD2-CD2 4.08Å; L517-L567 PolarHBondContact N-O 3.26Å; L517-L567 WeakPolarHBondContact O-CB 3.08Å; L517-L567 PolarHBondContact O-N 3.02Å; L539-L567 HydrophobicContact CD1-CB 4.13Å; L539-L567 HydrophobicContact CD1-CD2 4.19Å; L539-L567 HydrophobicContact CD2-CD2 4.47Å; L567-L619 HydrophobicContact CD1-CD1 3.44Å; L567-L619 VanDerWaalsContact CD1-CD1 3.44Å; L567-L673 HydrophobicContact CB-CD1 4.11Å
568	V	96.5	Very high	87.7	Confident	18 Å²	18	45.4 Å²	45.4	11%	0.109	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.6	-172.7	175.7	0	0	0	0	110.3	F514 E515 H566 R570 C671 A672	F514-V568 HydrophobicContact CD2-CG1 3.93Å; F514-V568 HydrophobicContact CE1-CG1 4.44Å; F514-V568 HydrophobicContact CE2-CB 4.39Å; F514-V568 HydrophobicContact CE2-CG1 3.24Å; F514-V568 HydrophobicContact CE2-CG2 4.26Å; F514-V568 HydrophobicContact CZ-CB 4.29Å; F514-V568 HydrophobicContact CZ-CG1 3.53Å; F514-V568 HydrophobicContact CZ-CG2 3.81Å; E515-V568 WeakPolarHBondContact O-CA 3.43Å; H566-V568 HydrophobicContact CB-CG2 4.03Å; H566-V568 PolarHBondContact O-N 2.69Å; V568-R570 HydrophobicContact CG1-CG 4.37Å; V568-C671 CarbonylContact O-C 3.57Å; V568-C671 VanDerWaalsContact O-CA 3.3Å; V568-C671 WeakPolarHBondContact O-CA 3.45Å; V568-A672 PolarHBondContact N-O 2.91Å; V568-A672 PolarHBondContact O-N 3.3Å
569	C	97.2	Very high	87.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138	169.9	-65.6	0	0	0	0	111.2	E515 R669 R670 C671	E515-C569 HydrophobicContact CB-CB 4.42Å; E515-C569 PolarHBondContact N-O 3.03Å; E515-C569 PolarHBondContact O-N 3.19Å; C569-R669 HydrophobicContact CB-CG 4.4Å; C569-R669 PolarHBondContact SG-NH2 2.87Å; C569-R669 VanDerWaalsContact SG-NH2 3.44Å; C569-R670 CarbonylContact C-O 3.53Å; C569-R670 VanDerWaalsContact CA-O 3.23Å; C569-R670 WeakPolarHBondContact CA-O 3.21Å; C569-C671 HydrophobicContact CB-CB 4.21Å; C569-C671 WeakPolarHBondContact CB-SG 3.47Å; C569-C671 WeakPolarHBondContact SG-CB 3.44Å; C569-C671 CovalentContact SG-SG 2.05Å; C569-C671 PolarHBondContact SG-SG 2.64Å
570	R	95.1	Very high	87.8	Confident	14 Å²	14	43.8 Å²	43.8	5%	0.053	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.2	175.7	-65.5	-176.8	175.7	-117.2	11.2	109.8	H508 E512 K513 F514 V568 S584 V665 R669 R670	H508-R570 PolarHBondContact CD2-NH2 2.61Å; H508-R570 PolarHBondContact NE2-NH2 3.01Å; E512-R570 IonicContact OE2-NH1 3.62Å; K513-R570 CarbonylContact O-C 3.48Å; K513-R570 VanDerWaalsContact O-CA 3.29Å; K513-R570 WeakPolarHBondContact O-CA 3.39Å; F514-R570 HydrophobicContact CD2-CG 4.26Å; V568-R570 HydrophobicContact CG1-CG 4.37Å; R570-S584 WeakPolarHBondContact CD-OG 3.41Å; R570-S584 PolarHBondContact NH1-O 3.38Å; R570-S584 PolarHBondContact NH1-OG 2.82Å; R570-V665 HydrophobicContact CB-CG2 4.49Å; R570-R669 CarbonylContact O-C 3.3Å; R570-R669 WeakPolarHBondContact O-CA 3.16Å; R570-R670 PolarHBondContact N-O 3.13Å; R570-R670 PolarHBondContact O-N 2.54Å
571	S	94.6	Very high	87.1	Confident	22 Å²	22	51.6 Å²	51.6	15%	0.154	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.5	-178.9	-50.1	0	0	0	0	110.5	E512 K513 R669	E512-S571 CarbonylContact C-O 3.58Å; E512-S571 VanDerWaalsContact CA-O 3.27Å; E512-S571 WeakPolarHBondContact CA-O 3.12Å; K513-S571 PolarHBondContact N-O 3.3Å; K513-S571 PolarHBondContact O-N 2.81Å; S571-R669 WeakPolarHBondContact OG-CD 3.49Å; S571-R669 VanDerWaalsContact OG-CG 3.31Å; S571-R669 WeakPolarHBondContact OG-CG 3.41Å
572	A	92.7	Very high	86.5	Confident	23 Å²	23	51.4 Å²	51.4	19%	0.19	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.7	172.3	0	0	0	0	0	110.5	V665 G668	A572-V665 HydrophobicContact CB-CG1 4.41Å; A572-V665 WeakPolarHBondContact CB-O 3.42Å; A572-G668 PolarHBondContact N-O 3.34Å; A572-G668 VanDerWaalsContact N-O 3.1Å
573	I	87	Confident	86.2	Confident	61 Å²	61	53.6 Å²	53.6	31%	0.313	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-84.7	117.3	172.9	-61.7	177.9	0	0	0	108.4	P510 H511 G575 D576 Q577	P510-I573 VanDerWaalsContact O-CD1 3.3Å; P510-I573 WeakPolarHBondContact O-CD1 3.43Å; H511-I573 WeakPolarHBondContact O-CB 3.12Å; H511-I573 PolarHBondContact O-N 3.09Å; I573-G575 PolarHBondContact O-N 3.05Å; I573-D576 HydrophobicContact CG2-CB 4.44Å; I573-D576 PolarHBondContact O-N 3.08Å; I573-Q577 PolarHBondContact O-NE2 3.43Å
574	T	80.9	Confident	86	Confident	140 Å²	140	52.9 Å²	52.9	86%	0.859	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	132.2	179.8	29.4	0	0	0	0	112.4
575	G	72.8	Confident	85.7	Confident	88 Å²	88	52.5 Å²	52.5	91%	0.907	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	0.1	177.2	0	0	0	0	0	115.4	I573	I573-G575 PolarHBondContact O-N 3.05Å
576	D	72.3	Confident	85.5	Confident	61 Å²	61	54.5 Å²	54.5	33%	0.326	33%	0.33	S	S	.	.			trans	-125.4	38.1	-175.1	-163.1	22.5	0	0	0	111.4	H511 I573	H511-D576 IonicContact CE1-OD1 3.77Å; H511-D576 PolarHBondContact CE1-OD1 3.47Å; H511-D576 VanDerWaalsContact CE1-OD1 3.25Å; H511-D576 IonicContact CE1-OD2 3.69Å; H511-D576 IonicContact CG-OD2 3.66Å; H511-D576 PolarHBondContact ND1-O 2.89Å; H511-D576 IonicContact ND1-OD1 3.54Å; H511-D576 PolarHBondContact ND1-OD1 3.47Å; H511-D576 VanDerWaalsContact ND1-OD1 3.11Å; H511-D576 IonicContact ND1-OD2 3.3Å; H511-D576 PolarHBondContact ND1-OD2 3.38Å; I573-D576 HydrophobicContact CG2-CB 4.44Å; I573-D576 PolarHBondContact O-N 3.08Å
577	Q	80.8	Confident	85.3	Confident	35 Å²	35	56 Å²	56	16%	0.164	34%	0.339	C	S	.	.			trans	-122.1	-6	-167.8	-56.5	-59.3	-47	0	0	115	H511 I573 R580 V665 T666	H511-Q577 PolarHBondContact O-NE2 2.82Å; I573-Q577 PolarHBondContact O-NE2 3.43Å; Q577-R580 VanDerWaalsContact O-CD 3.28Å; Q577-R580 WeakPolarHBondContact O-CD 3.44Å; Q577-R580 VanDerWaalsContact O-CG 3.23Å; Q577-R580 WeakPolarHBondContact O-CG 3.41Å; Q577-V665 PolarHBondContact OE1-O 3.43Å; Q577-T666 WeakPolarHBondContact CG-O 3.43Å
578	E	75.8	Confident	85	Confident	198 Å²	198	58 Å²	58	93%	0.925	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	133.6	-176.5	-71.7	-172.9	164.9	0	0	112	R580	E578-R580 VanDerWaalsContact C-N 3.28Å; E578-R580 PolarHBondContact O-N 2.6Å
579	G	67.9	Low	84.9	Confident	80 Å²	80	57.6 Å²	57.6	83%	0.825	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	11.6	169.5	0	0	0	0	0	116.7
580	R	75	Confident	84.6	Confident	38 Å²	38	58 Å²	58	14%	0.143	35%	0.348	C	S	.	.			trans	-70.3	135.6	-177.2	39.9	-165.9	-60.8	-143.4	-104.3	113.8	E512 Q577 E578 D582 V665	E512-R580 IonicContact OE1-NH1 2.88Å; Q577-R580 VanDerWaalsContact O-CD 3.28Å; Q577-R580 WeakPolarHBondContact O-CD 3.44Å; Q577-R580 VanDerWaalsContact O-CG 3.23Å; Q577-R580 WeakPolarHBondContact O-CG 3.41Å; E578-R580 VanDerWaalsContact C-N 3.28Å; E578-R580 PolarHBondContact O-N 2.6Å; R580-D582 VanDerWaalsContact CB-OD1 3.3Å; R580-D582 WeakPolarHBondContact CB-OD1 3.44Å; R580-D582 IonicContact NE-OD1 3.92Å; R580-V665 PolarHBondContact NH1-O 2.75Å; R580-V665 PolarHBondContact NH2-O 3.36Å
581	L	74.9	Confident	84.4	Confident	173 Å²	173	57.7 Å²	57.7	91%	0.906	35%	0.348	S	S	*	.			trans	-120.4	-1.3	177.5	-62.5	174	0	0	0	112.1
582	D	80.9	Confident	84.1	Confident	51 Å²	51	56.9 Å²	56.9	27%	0.273	34%	0.341	S	S	.	.			trans	-76.6	166.2	178	67.6	-53.6	0	0	0	111.8	T509 H511 R580 A664	T509-D582 WeakPolarHBondContact CB-OD2 3.49Å; T509-D582 PolarHBondContact OG1-OD2 2.9Å; H511-D582 IonicContact CD2-OD1 3.7Å; H511-D582 IonicContact CD2-OD2 3.16Å; R580-D582 VanDerWaalsContact CB-OD1 3.3Å; R580-D582 WeakPolarHBondContact CB-OD1 3.44Å; R580-D582 IonicContact NE-OD1 3.92Å; D582-A664 WeakPolarHBondContact O-CB 3.42Å
583	L	89.1	Confident	83.7	Confident	57 Å²	57	57.9 Å²	57.9	30%	0.298	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	146.6	-180	-63.6	176.6	0	0	0	110.2	H585 V587 F629 V662	L583-H585 WeakPolarHBondContact CB-O 3.23Å; L583-H585 PolarHBondContact O-N 3.03Å; L583-V587 HydrophobicContact CD1-CG2 4.16Å; L583-F629 HydrophobicContact CD1-CE1 4.34Å; L583-F629 HydrophobicContact CD1-CZ 3.79Å; L583-F629 HydrophobicContact CD2-CE1 3.85Å; L583-F629 HydrophobicContact CD2-CZ 3.94Å; L583-V662 WeakPolarHBondContact CB-O 3.49Å
584	S	89.3	Confident	83.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-40.5	169.5	-178.3	0	0	0	0	110	H508 E512 R570 V662 T663	H508-S584 VanDerWaalsContact CB-O 3.25Å; H508-S584 WeakPolarHBondContact CB-O 3.25Å; E512-S584 VanDerWaalsContact OE1-CB 3.25Å; E512-S584 WeakPolarHBondContact OE1-CB 3.23Å; E512-S584 PolarHBondContact OE1-OG 3.3Å; E512-S584 WeakPolarHBondContact OE2-CB 3.34Å; E512-S584 PolarHBondContact OE2-OG 3.22Å; R570-S584 WeakPolarHBondContact CD-OG 3.41Å; R570-S584 PolarHBondContact NH1-O 3.38Å; R570-S584 PolarHBondContact NH1-OG 2.82Å; S584-V662 PolarHBondContact N-O 3.43Å; S584-T663 VanDerWaalsContact CB-O 3.25Å; S584-T663 WeakPolarHBondContact CB-O 3.48Å
585	H	90.1	Very high	83.3	Confident	35 Å²	35	50.3 Å²	50.3	16%	0.162	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.1	170.5	-160.8	-64.1	0	0	0	109.3	H508 L583 H588 V662	H508-H585 AromaticContact CE1-CD2 3.87Å; H508-H585 AromaticContact CE1-NE2 3.58Å; L583-H585 WeakPolarHBondContact CB-O 3.23Å; L583-H585 PolarHBondContact O-N 3.03Å; H585-H588 AromaticContact CE1-CD2 3.91Å; H585-H588 AromaticContact CE1-CE1 3.18Å; H585-H588 PolarHBondContact CE1-CE1 3.45Å; H585-H588 AromaticContact CE1-CG 3.84Å; H585-H588 AromaticContact CE1-ND1 3.38Å; H585-H588 PolarHBondContact CE1-ND1 3.17Å; H585-H588 AromaticContact CE1-NE2 3.48Å; H585-H588 PolarHBondContact CE1-NE2 2.92Å; H585-H588 AromaticContact ND1-CE1 3.32Å; H585-H588 PolarHBondContact ND1-CE1 3.34Å; H585-H588 VanDerWaalsContact ND1-CE1 3.32Å; H585-H588 AromaticContact ND1-ND1 3.33Å; H585-H588 PolarHBondContact ND1-ND1 3.32Å; H585-V662 HydrophobicContact CB-CB 3.86Å; H585-V662 HydrophobicContact CB-CG2 3.93Å; H585-V662 PolarHBondContact N-O 3.06Å; H585-V662 PolarHBondContact O-N 3.23Å
586	P	89.5	Confident	83.5	Confident	44 Å²	44	48 Å²	48	29%	0.286	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	158.7	179	27.3	-35.3	0	0	0	111.4	H588	P586-H588 PolarHBondContact O-N 3.3Å; P586-H588 PolarHBondContact O-ND1 3.28Å
587	V	91.8	Very high	83.4	Confident	34 Å²	34	50.2 Å²	50.2	21%	0.206	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	128.8	173.2	-179.6	0	0	0	0	109.1	L583 F629 T631 A635 P659 H660	L583-V587 HydrophobicContact CD1-CG2 4.16Å; V587-F629 HydrophobicContact CG2-CE2 3.69Å; V587-F629 HydrophobicContact CG2-CZ 3.78Å; V587-T631 HydrophobicContact CG1-CG2 4.32Å; V587-T631 WeakPolarHBondContact CG1-OG1 3.24Å; V587-T631 HydrophobicContact CG2-CG2 4.1Å; V587-A635 HydrophobicContact CB-CB 4.17Å; V587-A635 HydrophobicContact CG1-CB 3.78Å; V587-P659 HydrophobicContact CG1-CB 4.25Å; V587-H660 VanDerWaalsContact CA-O 3.29Å; V587-H660 WeakPolarHBondContact CA-O 3.12Å
588	H	91.5	Very high	82.7	Confident	44 Å²	44	50.4 Å²	50.4	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	171.7	-178.7	67.5	-59	0	0	0	110.7	H585 P586 D590 P659 H660	H585-H588 AromaticContact CE1-CD2 3.91Å; H585-H588 AromaticContact CE1-CE1 3.18Å; H585-H588 PolarHBondContact CE1-CE1 3.45Å; H585-H588 AromaticContact CE1-CG 3.84Å; H585-H588 AromaticContact CE1-ND1 3.38Å; H585-H588 PolarHBondContact CE1-ND1 3.17Å; H585-H588 AromaticContact CE1-NE2 3.48Å; H585-H588 PolarHBondContact CE1-NE2 2.92Å; H585-H588 AromaticContact ND1-CE1 3.32Å; H585-H588 PolarHBondContact ND1-CE1 3.34Å; H585-H588 VanDerWaalsContact ND1-CE1 3.32Å; H585-H588 AromaticContact ND1-ND1 3.33Å; H585-H588 PolarHBondContact ND1-ND1 3.32Å; P586-H588 PolarHBondContact O-N 3.3Å; P586-H588 PolarHBondContact O-ND1 3.28Å; H588-D590 IonicContact NE2-OD1 2.78Å; H588-P659 WeakPolarHBondContact O-CA 3.08Å; H588-H660 AromaticContact CE1-CD2 3.72Å; H588-H660 AromaticContact CE1-CE1 3.86Å; H588-H660 AromaticContact CE1-NE2 3.26Å; H588-H660 PolarHBondContact CE1-NE2 3.45Å; H588-H660 VanDerWaalsContact CE1-NE2 3.26Å; H588-H660 PolarHBondContact N-O 2.99Å; H588-H660 PolarHBondContact ND1-O 3.23Å; H588-H660 VanDerWaalsContact ND1-O 3.11Å; H588-H660 AromaticContact NE2-CE1 3.93Å; H588-H660 AromaticContact NE2-NE2 3.55Å; H588-H660 PolarHBondContact O-N 3.3Å
589	V	92.8	Very high	82.6	Confident	11 Å²	11	47.1 Å²	47.1	7%	0.067	26%	0.258	C	S	.	.			trans	-121.1	138	168.7	-179.9	0	0	0	0	107.3	N591 C592 L594 S654 G655 P659	V589-N591 VanDerWaalsContact C-N 3.33Å; V589-N591 PolarHBondContact O-N 2.99Å; V589-C592 WeakPolarHBondContact CG1-SG 3.49Å; V589-L594 HydrophobicContact CG2-CB 4.05Å; V589-L594 HydrophobicContact CG2-CD2 4.24Å; V589-S654 WeakPolarHBondContact CG1-O 3.46Å; V589-G655 VanDerWaalsContact CG1-C 3.42Å; V589-G655 VanDerWaalsContact CG1-O 3.24Å; V589-G655 WeakPolarHBondContact CG1-O 3.42Å; V589-P659 HydrophobicContact CG2-CB 4.05Å; V589-P659 HydrophobicContact CG2-CG 3.94Å
590	D	92.6	Very high	82.9	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.053	24%	0.235	C	C	.	.	S	Bend	trans	-72.5	-24.1	-169.4	-88.7	-53.4	0	0	0	113.7	H588 R611 S614 S654 H660 W676	H588-D590 IonicContact NE2-OD1 2.78Å; D590-R611 IonicContact OD1-NH1 3.78Å; D590-S614 WeakPolarHBondContact OD2-CB 3.36Å; D590-S614 PolarHBondContact OD2-OG 2.93Å; D590-S654 PolarHBondContact N-O 3.45Å; D590-H660 IonicContact OD2-CE1 3.37Å; D590-H660 PolarHBondContact OD2-CE1 2.9Å; D590-H660 VanDerWaalsContact OD2-CE1 3.3Å; D590-H660 IonicContact OD2-NE2 3.19Å; D590-W676 VanDerWaalsContact CG-NE1 3.28Å; D590-W676 PolarHBondContact OD1-NE1 2.66Å; D590-W676 PolarHBondContact OD2-NE1 2.93Å
591	N	90.9	Very high	83.2	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.037	24%	0.236	C	C	.	.	S	Bend	trans	-121.1	2.2	-175.5	80	4.1	0	0	0	115.9	V589 F608 T609 R611 S654 G655	V589-N591 VanDerWaalsContact C-N 3.33Å; V589-N591 PolarHBondContact O-N 2.99Å; N591-F608 WeakPolarHBondContact CA-O 3.43Å; N591-F608 WeakPolarHBondContact CB-O 3.44Å; N591-T609 WeakPolarHBondContact O-CA 3.38Å; N591-R611 HydrophobicContact CB-CB 4.13Å; N591-R611 WeakPolarHBondContact CB-O 3.32Å; N591-R611 PolarHBondContact ND2-O 3.46Å; N591-S654 PolarHBondContact N-O 3.01Å; N591-S654 VanDerWaalsContact N-O 3.17Å; N591-S654 PolarHBondContact OD1-O 3.47Å; N591-G655 WeakPolarHBondContact OD1-CA 3.45Å
592	C	88.2	Confident	83.3	Confident	4 Å²	4	40.4 Å²	40.4	3%	0.027	20%	0.202	C	C	.	.	S	Bend	trans	-151	158	176.3	55.8	0	0	0	0	112.2	V589 L594 C601 W602 R603	V589-C592 WeakPolarHBondContact CG1-SG 3.49Å; C592-L594 PolarHBondContact O-N 3.41Å; C592-C601 HydrophobicContact CB-CB 3.93Å; C592-C601 WeakPolarHBondContact CB-SG 3.16Å; C592-C601 WeakPolarHBondContact SG-CB 3.5Å; C592-C601 CovalentContact SG-SG 2.02Å; C592-C601 PolarHBondContact SG-SG 2.92Å; C592-W602 CarbonylContact C-O 3.5Å; C592-W602 WeakPolarHBondContact CA-O 3.4Å; C592-W602 WeakPolarHBondContact CB-O 3.42Å; C592-R603 HydrophobicContact CB-CG 3.89Å
593	L	83.3	Confident	83.3	Confident	44 Å²	44	43.7 Å²	43.7	23%	0.23	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	99.4	176.8	-58.3	175.1	0	0	0	109.3	R306 W602 E604 P606 A607	R306-L593 PolarHBondContact NH1-O 3.41Å; L593-W602 HydrophobicContact CB-CB 4.32Å; L593-W602 PolarHBondContact N-O 3.47Å; L593-W602 PolarHBondContact O-N 2.78Å; L593-E604 HydrophobicContact CD1-CG 4.07Å; L593-P606 HydrophobicContact CD2-CG 4.47Å; L593-A607 HydrophobicContact CD2-CB 4.01Å; L593-A607 HydrophobicContact CG-CB 3.96Å
594	L	83.1	Confident	82.6	Confident	30 Å²	30	41.7 Å²	41.7	16%	0.157	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.1	177.5	-176.2	66	0	0	0	111.3	V589 C592 C601 R633 A635 P659	V589-L594 HydrophobicContact CG2-CB 4.05Å; V589-L594 HydrophobicContact CG2-CD2 4.24Å; C592-L594 PolarHBondContact O-N 3.41Å; L594-C601 HydrophobicContact CD1-CB 4.47Å; L594-R633 HydrophobicContact CD1-CB 4.1Å; L594-R633 HydrophobicContact CD1-CG 4.38Å; L594-A635 HydrophobicContact CD2-CB 4.23Å; L594-P659 HydrophobicContact CD2-CB 3.97Å; L594-P659 HydrophobicContact CD2-CG 4.19Å
595	E	77.3	Confident	81.6	Confident	12 Å²	12	46 Å²	46	6%	0.056	23%	0.228	C	C	.	.			trans	-106.2	103.9	168.4	-164.3	157	-105.7	0	0	109.6	R303 R306 E597 T598 R599 Q600	R303-E595 IonicContact NH1-OE1 3.05Å; R303-E595 PolarHBondContact NH1-OE1 3.47Å; R306-E595 IonicContact CZ-OE1 3.83Å; R306-E595 IonicContact NE-OE1 3.46Å; R306-E595 VanDerWaalsContact NH2-CB 3.32Å; R306-E595 IonicContact NH2-OE1 3.89Å; R306-E595 PolarHBondContact NH2-OE1 2.94Å; E595-E597 VanDerWaalsContact C-N 3.28Å; E595-E597 PolarHBondContact O-N 3.06Å; E595-T598 WeakPolarHBondContact CB-OG1 3.3Å; E595-T598 HydrophobicContact CG-CG2 4.43Å; E595-T598 WeakPolarHBondContact CG-OG1 3.47Å; E595-T598 VanDerWaalsContact OE2-CG2 3.29Å; E595-T598 WeakPolarHBondContact OE2-CG2 3.42Å; E595-T598 PolarHBondContact OE2-OG1 2.85Å; E595-R599 CarbonylContact O-C 3.6Å; E595-R599 VanDerWaalsContact O-C 3.3Å; E595-R599 WeakPolarHBondContact O-CA 3.44Å; E595-R599 PolarHBondContact O-N 2.87Å; E595-Q600 PolarHBondContact N-O 2.97Å; E595-Q600 PolarHBondContact O-N 3.1Å
596	P	75.9	Confident	80.8	Confident	39 Å²	39	47.7 Å²	47.7	25%	0.253	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.7	-174.8	-26.8	37.2	0	0	0	114.4	A635	P596-A635 HydrophobicContact CB-CB 4.11Å; P596-A635 HydrophobicContact CG-CB 3.83Å
597	E	69.8	Low	80.4	Confident	109 Å²	109	46.4 Å²	46.4	51%	0.509	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-49	-173.9	-64.2	69.9	-147.7	0	0	112.2	E595 R599	E595-E597 VanDerWaalsContact C-N 3.28Å; E595-E597 PolarHBondContact O-N 3.06Å; E597-R599 VanDerWaalsContact C-N 3.28Å
598	T	66.8	Low	80.1	Confident	39 Å²	39	46.8 Å²	46.8	24%	0.239	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.4	176.3	62.4	0	0	0	0	111.9	E595 Q600	E595-T598 WeakPolarHBondContact CB-OG1 3.3Å; E595-T598 HydrophobicContact CG-CG2 4.43Å; E595-T598 WeakPolarHBondContact CG-OG1 3.47Å; E595-T598 VanDerWaalsContact OE2-CG2 3.29Å; E595-T598 WeakPolarHBondContact OE2-CG2 3.42Å; E595-T598 PolarHBondContact OE2-OG1 2.85Å; T598-Q600 PolarHBondContact O-N 3.29Å; T598-Q600 VanDerWaalsContact O-N 3.11Å; T598-Q600 WeakPolarHBondContact OG1-CB 3.4Å; T598-Q600 PolarHBondContact OG1-N 3.33Å
599	R	73.1	Confident	79.9	Confident	128 Å²	128	47.7 Å²	47.7	48%	0.483	24%	0.243	S	C	.	.			trans	59.9	4.6	-168.1	-55.5	179.1	-179.4	-154.3	-4.9	113.1	E595 E597 R633	E595-R599 CarbonylContact O-C 3.6Å; E595-R599 VanDerWaalsContact O-C 3.3Å; E595-R599 WeakPolarHBondContact O-CA 3.44Å; E595-R599 PolarHBondContact O-N 2.87Å; E597-R599 VanDerWaalsContact C-N 3.28Å; R599-R633 HydrophobicContact CB-CB 3.97Å; R599-R633 HydrophobicContact CG-CB 4.44Å; R599-R633 PolarHBondContact O-NE 2.8Å; R599-R633 PolarHBondContact O-NH2 2.63Å
600	Q	75.8	Confident	79.6	Confident	72 Å²	72	48.5 Å²	48.5	34%	0.336	25%	0.246	S	C	.	.			trans	-72.9	153.5	-174.8	-69.4	177.3	-19.1	0	0	112.5	E595 T598	E595-Q600 PolarHBondContact N-O 2.97Å; E595-Q600 PolarHBondContact O-N 3.1Å; T598-Q600 PolarHBondContact O-N 3.29Å; T598-Q600 VanDerWaalsContact O-N 3.11Å; T598-Q600 WeakPolarHBondContact OG1-CB 3.4Å; T598-Q600 PolarHBondContact OG1-N 3.33Å
601	C	80.7	Confident	79.6	Confident	25 Å²	25	48.6 Å²	48.6	17%	0.169	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	112.9	174.5	-150.1	0	0	0	0	110.9	C592 L594 P656	C592-C601 HydrophobicContact CB-CB 3.93Å; C592-C601 WeakPolarHBondContact CB-SG 3.16Å; C592-C601 WeakPolarHBondContact SG-CB 3.5Å; C592-C601 CovalentContact SG-SG 2.02Å; C592-C601 PolarHBondContact SG-SG 2.92Å; L594-C601 HydrophobicContact CD1-CB 4.47Å; C601-P656 HydrophobicContact CB-CB 3.69Å
602	W	76.9	Confident	79.6	Confident	54 Å²	54	49 Å²	49	21%	0.205	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.7	-168.6	-60.1	85	0	0	0	111	R306 C592 L593 E604	R306-W602 VanDerWaalsContact NH2-CD1 3.3Å; C592-W602 CarbonylContact C-O 3.5Å; C592-W602 WeakPolarHBondContact CA-O 3.4Å; C592-W602 WeakPolarHBondContact CB-O 3.42Å; L593-W602 HydrophobicContact CB-CB 4.32Å; L593-W602 PolarHBondContact N-O 3.47Å; L593-W602 PolarHBondContact O-N 2.78Å; W602-E604 VanDerWaalsContact C-N 3.27Å; W602-E604 HydrophobicContact CB-CG 4.18Å; W602-E604 PolarHBondContact O-N 3.2Å
603	R	80.4	Confident	79.9	Confident	120 Å²	120	48.9 Å²	48.9	45%	0.453	25%	0.247	S	C	.	.			trans	-82.2	70.7	176.4	-70.6	-176.3	178.5	165.2	4.4	110.4	D444 C592 T609	D444-R603 IonicContact OD1-CZ 2.67Å; D444-R603 IonicContact OD1-NH1 3.77Å; D444-R603 IonicContact OD1-NH2 3.57Å; D444-R603 PolarHBondContact OD1-NH2 3.1Å; D444-R603 IonicContact OD2-CZ 3.72Å; D444-R603 IonicContact OD2-NH1 2.96Å; D444-R603 PolarHBondContact OD2-NH1 3.26Å; D444-R603 IonicContact OD2-NH2 3.54Å; D444-R603 PolarHBondContact OD2-NH2 2.91Å; C592-R603 HydrophobicContact CB-CG 3.89Å; R603-T609 HydrophobicContact CB-CG2 3.9Å
604	E	74.9	Confident	80.5	Confident	14 Å²	14	46.9 Å²	46.9	7%	0.065	24%	0.236	C	C	.	.			trans	-140.4	158	177.6	63.9	179.7	-162.3	0	0	111.9	I307 S308 L593 W602 A607	I307-E604 PolarHBondContact N-OE1 2.65Å; S308-E604 VanDerWaalsContact CB-OE2 3.23Å; S308-E604 WeakPolarHBondContact CB-OE2 3.37Å; S308-E604 PolarHBondContact N-OE2 3.45Å; S308-E604 VanDerWaalsContact N-OE2 3.14Å; S308-E604 PolarHBondContact OG-OE2 3.29Å; L593-E604 HydrophobicContact CD1-CG 4.07Å; W602-E604 VanDerWaalsContact C-N 3.27Å; W602-E604 HydrophobicContact CB-CG 4.18Å; W602-E604 PolarHBondContact O-N 3.2Å; E604-A607 VanDerWaalsContact O-CB 3.28Å; E604-A607 WeakPolarHBondContact O-CB 3.49Å; E604-A607 PolarHBondContact O-N 3.24Å
605	P	68.4	Low	81.3	Confident	90 Å²	90	45.5 Å²	45.5	58%	0.584	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	139.6	173.9	-26	35.3	0	0	0	111.6	I307	I307-P605 HydrophobicContact CD1-CB 4.39Å; I307-P605 WeakPolarHBondContact CD1-O 3.47Å
606	P	73.9	Confident	82.3	Confident	71 Å²	71	46 Å²	46	46%	0.461	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.8	13.7	10.8	35.3	-34.8	0	0	0	114.9	S186 L593	S186-P606 WeakPolarHBondContact OG-CG 3.3Å; L593-P606 HydrophobicContact CD2-CG 4.47Å
607	A	81	Confident	83.4	Confident	17 Å²	17	44.2 Å²	44.2	14%	0.14	22%	0.222	C	C	.	.	S	Bend	trans	-64.3	143.8	174.1	0	0	0	0	0	111	L593 E604 T609	L593-A607 HydrophobicContact CD2-CB 4.01Å; L593-A607 HydrophobicContact CG-CB 3.96Å; E604-A607 VanDerWaalsContact O-CB 3.28Å; E604-A607 WeakPolarHBondContact O-CB 3.49Å; E604-A607 PolarHBondContact O-N 3.24Å; A607-T609 HydrophobicContact CB-CG2 4.49Å; A607-T609 PolarHBondContact O-N 2.8Å
608	F	84.9	Confident	84.7	Confident	43 Å²	43	39 Å²	39	19%	0.189	20%	0.197	C	C	.	.			trans	-80.6	73	174.5	-64.1	-70.8	0	0	0	110.2	N591 H610 R611 D743 E744	N591-F608 WeakPolarHBondContact CA-O 3.43Å; N591-F608 WeakPolarHBondContact CB-O 3.44Å; F608-H610 AromaticContact CD1-CE1 3.79Å; F608-H610 PolarHBondContact O-N 3.06Å; F608-R611 HydrophobicContact CB-CG 3.81Å; F608-R611 VanDerWaalsContact CD2-CZ 3.48Å; F608-R611 WeakPolarHBondContact O-CB 3.36Å; F608-R611 PolarHBondContact O-N 3.25Å; F608-D743 HydrophobicContact CE1-CB 4.38Å; F608-E744 VanDerWaalsContact CZ-O 3.25Å; F608-E744 WeakPolarHBondContact CZ-O 3.07Å
609	T	87.1	Confident	86.2	Confident	63 Å²	63	37.1 Å²	37.1	39%	0.387	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-19.7	-173.1	60.8	0	0	0	0	114.7	N591 R603 A607	N591-T609 WeakPolarHBondContact O-CA 3.38Å; R603-T609 HydrophobicContact CB-CG2 3.9Å; A607-T609 HydrophobicContact CB-CG2 4.49Å; A607-T609 PolarHBondContact O-N 2.8Å
610	H	87	Confident	87.4	Confident	28 Å²	28	31.4 Å²	31.4	13%	0.13	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-6.4	178	65.6	-95.7	0	0	0	114.2	S563 F608 T678 H683	S563-H610 PolarHBondContact OG-NE2 3.26Å; F608-H610 AromaticContact CD1-CE1 3.79Å; F608-H610 PolarHBondContact O-N 3.06Å; H610-T678 WeakPolarHBondContact O-CB 3.5Å; H610-T678 PolarHBondContact O-OG1 3.11Å; H610-H683 HydrophobicContact CB-CB 4.04Å; H610-H683 VanDerWaalsContact CB-CD2 3.43Å; H610-H683 WeakPolarHBondContact CB-CD2 3.3Å; H610-H683 AromaticContact CD2-CG 3.84Å; H610-H683 AromaticContact CE1-ND1 4Å; H610-H683 AromaticContact CG-CD2 3.87Å; H610-H683 AromaticContact CG-CG 3.54Å; H610-H683 AromaticContact CG-ND1 3.73Å; H610-H683 AromaticContact ND1-CE1 3.92Å; H610-H683 AromaticContact ND1-CG 3.97Å; H610-H683 AromaticContact ND1-ND1 3.66Å
611	R	92.1	Very high	88.4	Confident	11 Å²	11	32.2 Å²	32.2	4%	0.042	17%	0.172	C	C	.	.			trans	-76.4	125.7	176.2	-71.4	179.6	176.9	179.4	3.4	109.4	D590 N591 F608 S654 W676	D590-R611 IonicContact OD1-NH1 3.78Å; N591-R611 HydrophobicContact CB-CB 4.13Å; N591-R611 WeakPolarHBondContact CB-O 3.32Å; N591-R611 PolarHBondContact ND2-O 3.46Å; F608-R611 HydrophobicContact CB-CG 3.81Å; F608-R611 VanDerWaalsContact CD2-CZ 3.48Å; F608-R611 WeakPolarHBondContact O-CB 3.36Å; F608-R611 PolarHBondContact O-N 3.25Å; R611-S654 WeakPolarHBondContact O-CB 3.38Å; R611-W676 VanDerWaalsContact CD-CD1 3.47Å; R611-W676 HydrophobicContact CG-CB 4.19Å; R611-W676 VanDerWaalsContact NH1-CE2 3.28Å
612	D	90.9	Very high	89.1	Confident	17 Å²	17	36.5 Å²	36.5	9%	0.091	19%	0.193	C	C	.	.			trans	-108.9	-41.2	-175.6	-70	-66.2	0	0	0	111	F447 S654 F677 T678 K679	F447-D612 HydrophobicContact CE2-CB 3.64Å; F447-D612 VanDerWaalsContact CE2-O 3.28Å; F447-D612 WeakPolarHBondContact CE2-O 3.35Å; F447-D612 HydrophobicContact CZ-CB 3.81Å; D612-S654 PolarHBondContact O-N 3.44Å; D612-F677 PolarHBondContact N-O 3.15Å; D612-T678 WeakPolarHBondContact OD2-CA 3.41Å; D612-T678 PolarHBondContact OD2-OG1 3.04Å; D612-K679 HydrophobicContact CB-CG 4.4Å; D612-K679 WeakPolarHBondContact OD1-CE 3.41Å; D612-K679 IonicContact OD1-NZ 2.65Å; D612-K679 PolarHBondContact OD1-NZ 2.93Å; D612-K679 PolarHBondContact OD2-N 3.09Å
613	L	94.3	Very high	89.9	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.3	-177.9	-162.7	75.3	0	0	0	111	F447 L550 F554 L560 F652 S654 F677	F447-L613 HydrophobicContact CD2-CD1 3.99Å; F447-L613 HydrophobicContact CE2-CB 3.95Å; F447-L613 HydrophobicContact CE2-CD1 4.13Å; F447-L613 HydrophobicContact CG-CD1 4.26Å; F447-L613 HydrophobicContact CZ-CB 3.88Å; F447-L613 HydrophobicContact CZ-CD1 4.43Å; L550-L613 HydrophobicContact CB-CD2 3.72Å; L550-L613 HydrophobicContact CD1-CD2 3.88Å; L550-L613 HydrophobicContact CD1-CG 4.44Å; L550-L613 HydrophobicContact CG-CD2 4.44Å; F554-L613 HydrophobicContact CD2-CD1 3.64Å; F554-L613 HydrophobicContact CD2-CD2 3.92Å; F554-L613 HydrophobicContact CD2-CG 4.37Å; F554-L613 HydrophobicContact CE2-CD1 3.79Å; F554-L613 HydrophobicContact CE2-CD2 4.44Å; F554-L613 HydrophobicContact CG-CD1 4.1Å; F554-L613 HydrophobicContact CZ-CD1 4.4Å; L560-L613 HydrophobicContact CD2-CD2 4.29Å; L613-F652 WeakPolarHBondContact CD1-O 3.42Å; L613-S654 WeakPolarHBondContact CA-OG 3.49Å; L613-S654 PolarHBondContact N-OG 3.03Å; L613-S654 PolarHBondContact O-OG 3.14Å; L613-F677 HydrophobicContact CB-CB 4.14Å; L613-F677 HydrophobicContact CB-CD2 4.18Å; L613-F677 HydrophobicContact CD2-CD2 4.28Å; L613-F677 HydrophobicContact CG-CD2 4.47Å; L613-F677 PolarHBondContact N-O 2.96Å; L613-F677 PolarHBondContact O-N 3.41Å
614	S	97.1	Very high	90.6	Very high	2 Å²	2	34 Å²	34	1%	0.014	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.3	-179.7	-62.4	0	0	0	0	111	D590 G651 F652 S654 L675	D590-S614 WeakPolarHBondContact OD2-CB 3.36Å; D590-S614 PolarHBondContact OD2-OG 2.93Å; S614-G651 WeakPolarHBondContact O-CA 3.33Å; S614-F652 PolarHBondContact N-O 3.49Å; S614-F652 PolarHBondContact O-N 3.32Å; S614-S654 PolarHBondContact OG-OG 3.49Å; S614-L675 CarbonylContact C-O 3.45Å; S614-L675 WeakPolarHBondContact CA-O 3.22Å
615	A	98.2	Very high	91.4	Very high	2 Å²	2	35 Å²	35	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144.9	179.7	0	0	0	0	0	113	V546 L550 L649 V650 L675 F677	V546-A615 HydrophobicContact CG1-CB 3.82Å; L550-A615 HydrophobicContact CD1-CB 3.49Å; L550-A615 VanDerWaalsContact CD1-CB 3.49Å; A615-L649 HydrophobicContact CB-CD1 3.93Å; A615-V650 CarbonylContact C-O 3.57Å; A615-V650 WeakPolarHBondContact CA-O 3.43Å; A615-L675 HydrophobicContact CB-CB 4.16Å; A615-L675 PolarHBondContact N-O 3.33Å; A615-L675 PolarHBondContact O-N 3.31Å; A615-F677 HydrophobicContact CB-CE2 4.2Å
616	V	98.4	Very high	92.7	Very high	23 Å²	23	30.8 Å²	30.8	14%	0.139	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112.3	176.1	-175.1	0	0	0	0	108.5	Y618 L628 L649 V650 A672 L673	V616-Y618 HydrophobicContact CG1-CD1 4.28Å; V616-Y618 HydrophobicContact CG1-CE1 3.64Å; V616-Y618 HydrophobicContact CG1-CE2 4.34Å; V616-L628 HydrophobicContact CG2-CD1 4.27Å; V616-L649 WeakPolarHBondContact O-CA 3.45Å; V616-V650 PolarHBondContact N-O 3.49Å; V616-V650 PolarHBondContact O-N 3.03Å; V616-A672 HydrophobicContact CG1-CB 3.82Å; V616-L673 WeakPolarHBondContact CA-O 3.34Å
617	L	98.6	Very high	93.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.7	176.7	177.9	62.7	0	0	0	110.3	V478 L479 M542 V546 L649 A672 L673	V478-L617 HydrophobicContact CB-CD1 3.89Å; V478-L617 HydrophobicContact CG1-CD1 3.87Å; V478-L617 HydrophobicContact CG1-CD2 4.27Å; L479-L617 HydrophobicContact CD1-CD1 4.3Å; L479-L617 HydrophobicContact CD1-CD2 3.84Å; L479-L617 HydrophobicContact CD1-CG 4.05Å; L479-L617 HydrophobicContact CD2-CD2 4.17Å; L479-L617 HydrophobicContact CG-CD1 4.27Å; L479-L617 HydrophobicContact CG-CD2 4.01Å; L479-L617 HydrophobicContact CG-CG 4.42Å; M542-L617 HydrophobicContact CB-CD2 4.46Å; M542-L617 HydrophobicContact CE-CD2 3.79Å; V546-L617 HydrophobicContact CG2-CB 4.37Å; V546-L617 HydrophobicContact CG2-CD2 3.84Å; L617-L649 HydrophobicContact CB-CD1 3.99Å; L617-L649 HydrophobicContact CD1-CB 4Å; L617-L649 HydrophobicContact CD1-CD1 4.46Å; L617-A672 CarbonylContact O-C 3.49Å; L617-A672 VanDerWaalsContact O-CA 3.24Å; L617-A672 WeakPolarHBondContact O-CA 3.33Å; L617-L673 HydrophobicContact CB-CB 4.24Å; L617-L673 PolarHBondContact N-O 2.49Å; L617-L673 PolarHBondContact O-N 2.69Å
618	Y	98.5	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	141.2	-176.4	-68.6	-59.2	0	0	0	113.2	V616 L628 P644 T645 G647 R648 V650 R670 A672	V616-Y618 HydrophobicContact CG1-CD1 4.28Å; V616-Y618 HydrophobicContact CG1-CE1 3.64Å; V616-Y618 HydrophobicContact CG1-CE2 4.34Å; Y618-L628 VanDerWaalsContact OH-CB 3.29Å; Y618-L628 WeakPolarHBondContact OH-CB 3.31Å; Y618-P644 HydrophobicContact CD1-CB 3.58Å; Y618-P644 HydrophobicContact CD1-CG 4.06Å; Y618-P644 HydrophobicContact CD2-CB 4Å; Y618-P644 HydrophobicContact CE1-CB 3.88Å; Y618-P644 HydrophobicContact CE1-CG 3.81Å; Y618-P644 HydrophobicContact CE2-CB 4.21Å; Y618-P644 HydrophobicContact CE2-CG 4.23Å; Y618-P644 HydrophobicContact CG-CB 3.66Å; Y618-P644 HydrophobicContact CG-CG 4.42Å; Y618-T645 WeakPolarHBondContact CB-O 3.42Å; Y618-G647 PolarHBondContact O-N 2.98Å; Y618-R648 HydrophobicContact CD2-CB 4.29Å; Y618-R648 HydrophobicContact CD2-CG 4.22Å; Y618-R648 WeakPolarHBondContact CD2-O 3.4Å; Y618-R648 PolarHBondContact N-O 3.08Å; Y618-V650 HydrophobicContact CD2-CG2 4.47Å; Y618-V650 HydrophobicContact CE2-CG2 3.76Å; Y618-R670 VanDerWaalsContact CE1-CZ 3.47Å; Y618-R670 PolarHBondContact OH-NH2 2.91Å; Y618-A672 HydrophobicContact CD1-CB 3.78Å; Y618-A672 HydrophobicContact CE1-CB 4.01Å
619	L	98.2	Very high	95.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.			trans	-107.8	-19.3	-176.4	-56.2	-177.4	0	0	0	113.6	L479 C484 V487 L488 M542 L567 C671	L479-L619 HydrophobicContact CD1-CD2 3.66Å; C484-L619 VanDerWaalsContact CB-O 3.29Å; C484-L619 WeakPolarHBondContact CB-O 3.3Å; C484-L619 PolarHBondContact SG-O 2.96Å; V487-L619 HydrophobicContact CB-CD1 4.3Å; V487-L619 HydrophobicContact CG1-CD1 3.72Å; L488-L619 HydrophobicContact CD2-CB 3.93Å; L488-L619 HydrophobicContact CD2-CD1 4.43Å; L488-L619 HydrophobicContact CG-CB 4.13Å; M542-L619 HydrophobicContact CE-CD2 3.74Å; L567-L619 HydrophobicContact CD1-CD1 3.44Å; L567-L619 VanDerWaalsContact CD1-CD1 3.44Å; L619-C671 HydrophobicContact CB-CB 4.36Å; L619-C671 HydrophobicContact CD1-CB 4.15Å; L619-C671 PolarHBondContact N-O 3.29Å; L619-C671 VanDerWaalsContact N-O 3.1Å
620	N	97.7	Very high	95.7	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.043	14%	0.138	C	C	.	.			trans	-157.7	171.6	-174.8	68.6	-45.8	0	0	0	113	L488 D622 F623 R669 C671	L488-N620 HydrophobicContact CD1-CB 3.95Å; L488-N620 HydrophobicContact CD2-CB 4.31Å; N620-D622 VanDerWaalsContact CB-OD1 3.32Å; N620-D622 WeakPolarHBondContact CB-OD1 3.38Å; N620-D622 PolarHBondContact ND2-OD1 3.43Å; N620-F623 VanDerWaalsContact O-CE1 3.3Å; N620-F623 WeakPolarHBondContact O-CE1 3.4Å; N620-R669 PolarHBondContact ND2-O 3.49Å; N620-C671 PolarHBondContact OD1-N 3.28Å; N620-C671 PolarHBondContact OD1-O 3.07Å
621	D	96.3	Very high	95.9	Very high	89 Å²	89	23.7 Å²	23.7	48%	0.476	13%	0.132	S	C	.	.			trans	-142.7	7.9	-178.9	51.7	-0.4	0	0	0	113.8	F623 T645	D621-F623 PolarHBondContact O-N 3.05Å; D621-T645 HydrophobicContact CB-CG2 4.31Å
622	D	95.6	Very high	95.6	Very high	115 Å²	115	26.2 Å²	26.2	62%	0.615	15%	0.146	S	C	*	.			trans	-81.8	51.3	176.8	61.4	-43	0	0	0	112.3	N620	N620-D622 VanDerWaalsContact CB-OD1 3.32Å; N620-D622 WeakPolarHBondContact CB-OD1 3.38Å; N620-D622 PolarHBondContact ND2-OD1 3.43Å
623	F	95.3	Very high	95.2	Very high	22 Å²	22	27.7 Å²	27.7	10%	0.096	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	161.6	178.3	61.3	-95.4	0	0	0	112.1	N620 D621 G625 P644 A667 R670	N620-F623 VanDerWaalsContact O-CE1 3.3Å; N620-F623 WeakPolarHBondContact O-CE1 3.4Å; D621-F623 PolarHBondContact O-N 3.05Å; F623-G625 WeakPolarHBondContact CE2-O 3Å; F623-P644 HydrophobicContact CE1-CB 4.35Å; F623-P644 HydrophobicContact CE2-CB 4.33Å; F623-P644 HydrophobicContact CE2-CG 4.08Å; F623-P644 HydrophobicContact CZ-CB 3.52Å; F623-P644 HydrophobicContact CZ-CG 3.71Å; F623-A667 WeakPolarHBondContact CA-O 3.44Å; F623-A667 WeakPolarHBondContact CB-O 3.42Å; F623-R670 HydrophobicContact CD1-CB 3.88Å; F623-R670 HydrophobicContact CD1-CG 4.45Å; F623-R670 HydrophobicContact CD2-CB 4Å; F623-R670 HydrophobicContact CE1-CB 3.66Å; F623-R670 HydrophobicContact CE1-CG 3.73Å; F623-R670 HydrophobicContact CE2-CB 3.82Å; F623-R670 HydrophobicContact CE2-CG 3.83Å; F623-R670 HydrophobicContact CG-CB 4.02Å; F623-R670 HydrophobicContact CZ-CB 3.62Å; F623-R670 HydrophobicContact CZ-CG 3.36Å
624	D	94	Very high	94.4	Very high	100 Å²	100	28.8 Å²	28.8	54%	0.535	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141	176.6	-66.6	-41.3	0	0	0	111.4	V665 T666 A667	D624-V665 WeakPolarHBondContact O-CA 3.42Å; D624-T666 VanDerWaalsContact CB-OG1 3.31Å; D624-T666 WeakPolarHBondContact CB-OG1 3.1Å; D624-T666 PolarHBondContact O-N 2.87Å; D624-T666 PolarHBondContact O-OG1 3.41Å; D624-A667 HydrophobicContact CB-CB 4.04Å; D624-A667 PolarHBondContact N-O 2.85Å
625	G	92.9	Very high	93.7	Very high	35 Å²	35	29.9 Å²	29.9	36%	0.361	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.1	-145	-175.5	0	0	0	0	0	112.9	F623 E627 A664	F623-G625 WeakPolarHBondContact CE2-O 3Å; G625-E627 PolarHBondContact O-N 3.23Å; G625-A664 WeakPolarHBondContact CA-O 3.4Å
626	G	94.5	Very high	93	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.			trans	68.5	14.9	173.2	0	0	0	0	0	116.3	P644 T663 A664 R670	G626-P644 WeakPolarHBondContact O-CG 3.45Å; G626-T663 VanDerWaalsContact CA-O 3.31Å; G626-T663 WeakPolarHBondContact CA-O 3.13Å; G626-T663 PolarHBondContact N-O 2.93Å; G626-T663 PolarHBondContact N-OG1 3.48Å; G626-A664 PolarHBondContact N-O 3.43Å; G626-A664 VanDerWaalsContact N-O 3.11Å; G626-R670 PolarHBondContact O-NE 3Å; G626-R670 PolarHBondContact O-NH2 3.18Å
627	E	96.9	Very high	92.4	Very high	57 Å²	57	40 Å²	40	27%	0.266	21%	0.214	S	C	.	.			trans	-65.7	136.1	174.9	-56.1	-177.4	151.3	0	0	111	G625 R641 V662 T663	G625-E627 PolarHBondContact O-N 3.23Å; E627-R641 IonicContact OE2-NH1 3.11Å; E627-R641 PolarHBondContact OE2-NH1 2.88Å; E627-R641 VanDerWaalsContact OE2-NH1 3.16Å; E627-V662 CarbonylContact O-C 3.05Å; E627-V662 WeakPolarHBondContact O-CA 3.37Å; E627-T663 HydrophobicContact CB-CG2 4.47Å; E627-T663 WeakPolarHBondContact CB-OG1 3.45Å; E627-T663 PolarHBondContact N-OG1 3.41Å; E627-T663 PolarHBondContact O-N 2.99Å; E627-T663 PolarHBondContact O-OG1 2.93Å
628	L	97.9	Very high	92.1	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	137.1	166.2	178.1	151.3	0	0	0	108.4	V616 Y618 F630 R641 V642 V650 F652 G661	V616-L628 HydrophobicContact CG2-CD1 4.27Å; Y618-L628 VanDerWaalsContact OH-CB 3.29Å; Y618-L628 WeakPolarHBondContact OH-CB 3.31Å; L628-F630 HydrophobicContact CD2-CD2 3.96Å; L628-F630 HydrophobicContact CD2-CE1 4.4Å; L628-F630 HydrophobicContact CD2-CE2 3.49Å; L628-F630 VanDerWaalsContact CD2-CE2 3.49Å; L628-F630 HydrophobicContact CD2-CZ 3.74Å; L628-R641 CarbonylContact O-C 3.54Å; L628-R641 WeakPolarHBondContact O-CA 3.38Å; L628-V642 HydrophobicContact CD2-CG2 4.41Å; L628-V642 PolarHBondContact N-O 3.34Å; L628-V642 PolarHBondContact O-N 3.26Å; L628-V650 HydrophobicContact CD2-CG1 4.34Å; L628-F652 HydrophobicContact CD1-CE1 4.46Å; L628-G661 WeakPolarHBondContact CA-O 3.33Å
629	F	97.6	Very high	91.8	Very high	11 Å²	11	44.8 Å²	44.8	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.5	174.9	67.1	-85.8	0	0	0	110.6	L583 V587 T631 V638 A640 R641 H660 G661 T663	L583-F629 HydrophobicContact CD1-CE1 4.34Å; L583-F629 HydrophobicContact CD1-CZ 3.79Å; L583-F629 HydrophobicContact CD2-CE1 3.85Å; L583-F629 HydrophobicContact CD2-CZ 3.94Å; V587-F629 HydrophobicContact CG2-CE2 3.69Å; V587-F629 HydrophobicContact CG2-CZ 3.78Å; F629-T631 HydrophobicContact CD2-CG2 3.67Å; F629-T631 HydrophobicContact CE2-CG2 3.5Å; F629-T631 VanDerWaalsContact CE2-CG2 3.5Å; F629-V638 HydrophobicContact CB-CG1 4.18Å; F629-V638 HydrophobicContact CD2-CG1 4.38Å; F629-V638 HydrophobicContact CD2-CG2 3.96Å; F629-V638 HydrophobicContact CE2-CG2 4.37Å; F629-A640 CarbonylContact C-O 3.41Å; F629-A640 WeakPolarHBondContact CA-O 3.26Å; F629-A640 WeakPolarHBondContact CB-O 2.93Å; F629-R641 HydrophobicContact CB-CG 3.99Å; F629-H660 CarbonylContact O-C 3.49Å; F629-H660 WeakPolarHBondContact O-CA 3.2Å; F629-H660 WeakPolarHBondContact O-CB 3.43Å; F629-G661 VanDerWaalsContact CD1-O 3.3Å; F629-G661 WeakPolarHBondContact CD1-O 3.41Å; F629-G661 PolarHBondContact N-O 3.15Å; F629-G661 PolarHBondContact O-N 3.34Å; F629-T663 HydrophobicContact CD1-CG2 3.87Å; F629-T663 HydrophobicContact CE1-CG2 4.08Å
630	F	97.1	Very high	91.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	148.8	172.1	-65.1	-82.7	0	0	0	109.5	R472 L628 V638 T639 A640 V642 V650 F652 N658 P659 H660	R472-F630 HydrophobicContact CB-CZ 4.39Å; L628-F630 HydrophobicContact CD2-CD2 3.96Å; L628-F630 HydrophobicContact CD2-CE1 4.4Å; L628-F630 HydrophobicContact CD2-CE2 3.49Å; L628-F630 VanDerWaalsContact CD2-CE2 3.49Å; L628-F630 HydrophobicContact CD2-CZ 3.74Å; F630-V638 CarbonylContact O-C 3.49Å; F630-V638 WeakPolarHBondContact O-CA 3.35Å; F630-T639 WeakPolarHBondContact CB-OG1 3.33Å; F630-T639 PolarHBondContact O-N 2.99Å; F630-T639 PolarHBondContact O-OG1 3.1Å; F630-A640 HydrophobicContact CD2-CB 4.22Å; F630-A640 PolarHBondContact N-O 3.02Å; F630-V642 HydrophobicContact CE2-CG2 4.46Å; F630-V650 HydrophobicContact CE2-CG1 4.29Å; F630-V650 HydrophobicContact CZ-CG1 4.05Å; F630-F652 HydrophobicContact CE1-CB 4.22Å; F630-F652 AromaticContact CE1-CD1 3.95Å; F630-F652 HydrophobicContact CE1-CD1 3.95Å; F630-F652 HydrophobicContact CE1-CD2 4.24Å; F630-F652 HydrophobicContact CE1-CE1 4.39Å; F630-F652 AromaticContact CE1-CG 3.87Å; F630-F652 HydrophobicContact CE1-CG 3.87Å; F630-F652 HydrophobicContact CZ-CB 4.31Å; F630-F652 AromaticContact CZ-CD1 3.77Å; F630-F652 HydrophobicContact CZ-CD1 3.77Å; F630-F652 HydrophobicContact CZ-CE1 4.31Å; F630-F652 HydrophobicContact CZ-CG 4.07Å; F630-N658 HydrophobicContact CD1-CB 4.29Å; F630-N658 HydrophobicContact CE1-CB 4.17Å; F630-P659 CarbonylContact C-O 3.49Å; F630-P659 VanDerWaalsContact CA-O 3.32Å; F630-P659 WeakPolarHBondContact CA-O 3.33Å; F630-H660 HydrophobicContact CD1-CB 3.77Å; F630-H660 HydrophobicContact CE1-CB 4.06Å; F630-H660 HydrophobicContact CG-CB 4.48Å
631	T	92.5	Very high	91.7	Very high	3 Å²	3	51 Å²	51	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	168.2	173.6	66.8	0	0	0	0	111.2	V587 F629 T637 V638 P659	V587-T631 HydrophobicContact CG1-CG2 4.32Å; V587-T631 WeakPolarHBondContact CG1-OG1 3.24Å; V587-T631 HydrophobicContact CG2-CG2 4.1Å; F629-T631 HydrophobicContact CD2-CG2 3.67Å; F629-T631 HydrophobicContact CE2-CG2 3.5Å; F629-T631 VanDerWaalsContact CE2-CG2 3.5Å; T631-T637 CarbonylContact C-O 3.39Å; T631-T637 WeakPolarHBondContact CA-O 3.35Å; T631-T637 WeakPolarHBondContact CB-O 3.32Å; T631-V638 HydrophobicContact CG2-CG2 4.41Å; T631-P659 PolarHBondContact N-O 3.01Å; T631-P659 WeakPolarHBondContact OG1-CB 3.18Å
632	D	85.9	Confident	91.7	Very high	63 Å²	63	46.9 Å²	46.9	34%	0.337	25%	0.246	S	C	.	.			trans	-69.1	171.9	157	-159.7	-7.4	0	0	0	109.8	D634 A635 T637	D632-D634 PolarHBondContact O-N 3.15Å; D632-A635 PolarHBondContact O-N 2.86Å; D632-T637 PolarHBondContact N-O 3.42Å
633	R	80.8	Confident	91.8	Very high	48 Å²	48	47.8 Å²	47.8	18%	0.181	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.6	-180	-66.7	172.8	67.5	177.4	3.8	113.4	E441 L594 R599 A635 P659	E441-R633 IonicContact OE1-CZ 3.93Å; E441-R633 IonicContact OE1-NH1 3.25Å; E441-R633 PolarHBondContact OE1-NH1 3.21Å; E441-R633 IonicContact OE1-NH2 3.16Å; E441-R633 IonicContact OE2-CZ 2.8Å; E441-R633 IonicContact OE2-NE 3.41Å; E441-R633 IonicContact OE2-NH1 3.79Å; E441-R633 PolarHBondContact OE2-NH1 2.64Å; L594-R633 HydrophobicContact CD1-CB 4.1Å; L594-R633 HydrophobicContact CD1-CG 4.38Å; R599-R633 HydrophobicContact CB-CB 3.97Å; R599-R633 HydrophobicContact CG-CB 4.44Å; R599-R633 PolarHBondContact O-NE 2.8Å; R599-R633 PolarHBondContact O-NH2 2.63Å; R633-A635 PolarHBondContact O-N 3.27Å; R633-P659 HydrophobicContact CG-CG 4.27Å
634	D	78.3	Confident	91.9	Very high	24 Å²	24	46.9 Å²	46.9	13%	0.128	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.7	170.1	71.8	5.9	0	0	0	113.7	D632 K636 T637	D632-D634 PolarHBondContact O-N 3.15Å; D634-K636 WeakPolarHBondContact O-CG 3.25Å; D634-K636 PolarHBondContact O-N 2.93Å; D634-K636 PolarHBondContact OD1-N 3.42Å; D634-T637 PolarHBondContact OD1-N 3.07Å; D634-T637 WeakPolarHBondContact OD2-CB 3.24Å; D634-T637 PolarHBondContact OD2-OG1 3.31Å
635	A	83	Confident	92.1	Very high	25 Å²	25	43.7 Å²	43.7	21%	0.207	23%	0.225	C	C	.	.	S	Bend	trans	56.1	11.4	-177.3	0	0	0	0	0	115.4	V587 L594 P596 D632 R633	V587-A635 HydrophobicContact CB-CB 4.17Å; V587-A635 HydrophobicContact CG1-CB 3.78Å; L594-A635 HydrophobicContact CD2-CB 4.23Å; P596-A635 HydrophobicContact CB-CB 4.11Å; P596-A635 HydrophobicContact CG-CB 3.83Å; D632-A635 PolarHBondContact O-N 2.86Å; R633-A635 PolarHBondContact O-N 3.27Å
636	K	82.9	Confident	92.3	Very high	164 Å²	164	43.1 Å²	43.1	71%	0.713	22%	0.216	S	C	*	.			trans	-121.2	-43.1	-172.7	-71	169.1	-173.8	172.1	0	111.5	D634 V638	D634-K636 WeakPolarHBondContact O-CG 3.25Å; D634-K636 PolarHBondContact O-N 2.93Å; D634-K636 PolarHBondContact OD1-N 3.42Å; K636-V638 PolarHBondContact O-N 3.19Å
637	T	85.4	Confident	92.4	Very high	73 Å²	73	43.1 Å²	43.1	45%	0.448	22%	0.216	S	C	.	.	S	Bend	trans	-79.9	102.9	-175.1	-60.7	0	0	0	0	109.9	T631 D632 D634 T639	T631-T637 CarbonylContact C-O 3.39Å; T631-T637 WeakPolarHBondContact CA-O 3.35Å; T631-T637 WeakPolarHBondContact CB-O 3.32Å; D632-T637 PolarHBondContact N-O 3.42Å; D634-T637 PolarHBondContact OD1-N 3.07Å; D634-T637 WeakPolarHBondContact OD2-CB 3.24Å; D634-T637 PolarHBondContact OD2-OG1 3.31Å; T637-T639 PolarHBondContact O-N 3.42Å
638	V	93.5	Very high	92.5	Very high	61 Å²	61	42.6 Å²	42.6	37%	0.37	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	124.3	178.9	178.5	0	0	0	0	110.5	F629 F630 T631 K636 R641	F629-V638 HydrophobicContact CB-CG1 4.18Å; F629-V638 HydrophobicContact CD2-CG1 4.38Å; F629-V638 HydrophobicContact CD2-CG2 3.96Å; F629-V638 HydrophobicContact CE2-CG2 4.37Å; F630-V638 CarbonylContact O-C 3.49Å; F630-V638 WeakPolarHBondContact O-CA 3.35Å; T631-V638 HydrophobicContact CG2-CG2 4.41Å; K636-V638 PolarHBondContact O-N 3.19Å; V638-R641 HydrophobicContact CG1-CG 4.11Å
639	T	91.9	Very high	92.5	Very high	40 Å²	40	42.5 Å²	42.5	25%	0.245	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-33.3	-177.9	54.6	0	0	0	0	113.2	N468 R472 F630 T637	N468-T639 PolarHBondContact ND2-O 3.32Å; R472-T639 PolarHBondContact NH2-OG1 3.35Å; F630-T639 WeakPolarHBondContact CB-OG1 3.33Å; F630-T639 PolarHBondContact O-N 2.99Å; F630-T639 PolarHBondContact O-OG1 3.1Å; T637-T639 PolarHBondContact O-N 3.42Å
640	A	96.3	Very high	92.6	Very high	13 Å²	13	42 Å²	42	11%	0.107	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	160.3	176	0	0	0	0	0	112.8	L467 F629 F630	L467-A640 HydrophobicContact CB-CB 4.25Å; L467-A640 HydrophobicContact CD2-CB 3.96Å; L467-A640 WeakPolarHBondContact O-CB 3.46Å; F629-A640 CarbonylContact C-O 3.41Å; F629-A640 WeakPolarHBondContact CA-O 3.26Å; F629-A640 WeakPolarHBondContact CB-O 2.93Å; F630-A640 HydrophobicContact CD2-CB 4.22Å; F630-A640 PolarHBondContact N-O 3.02Å
641	R	97.2	Very high	92.6	Very high	126 Å²	126	42 Å²	42	48%	0.475	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.3	176.5	-67.9	177.2	174.8	-98.6	-6.6	110.3	E627 L628 F629 V638	E627-R641 IonicContact OE2-NH1 3.11Å; E627-R641 PolarHBondContact OE2-NH1 2.88Å; E627-R641 VanDerWaalsContact OE2-NH1 3.16Å; L628-R641 CarbonylContact O-C 3.54Å; L628-R641 WeakPolarHBondContact O-CA 3.38Å; F629-R641 HydrophobicContact CB-CG 3.99Å; V638-R641 HydrophobicContact CG1-CG 4.11Å
642	V	97.4	Very high	92.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.3	177.5	-173.5	0	0	0	0	109.5	L467 V474 L628 F630 V650	L467-V642 HydrophobicContact CD2-CG2 3.97Å; V474-V642 HydrophobicContact CG1-CG1 4.25Å; V474-V642 HydrophobicContact CG2-CB 4.5Å; V474-V642 HydrophobicContact CG2-CG1 3.87Å; V474-V642 HydrophobicContact CG2-CG2 3.75Å; L628-V642 HydrophobicContact CD2-CG2 4.41Å; L628-V642 PolarHBondContact N-O 3.34Å; L628-V642 PolarHBondContact O-N 3.26Å; F630-V642 HydrophobicContact CE2-CG2 4.46Å; V642-V650 HydrophobicContact CB-CG2 4.26Å; V642-V650 HydrophobicContact CG1-CG2 3.7Å; V642-V650 HydrophobicContact CG2-CG2 4.49Å
643	K	97.1	Very high	93.2	Very high	134 Å²	134	38.9 Å²	38.9	58%	0.583	19%	0.192	S	C	*	.			trans	-78.3	127.7	175.3	-172	171.3	-179.8	175.5	0	110.4	R648	K643-R648 VanDerWaalsContact O-CD 3.3Å; K643-R648 WeakPolarHBondContact O-CD 3.33Å; K643-R648 PolarHBondContact O-NH1 3.02Å
644	P	97.3	Very high	93.8	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.019	18%	0.184	C	C	.	.			trans	-65.1	139.3	176.1	-25.7	37.5	0	0	0	113.1	Y618 F623 G626	Y618-P644 HydrophobicContact CD1-CB 3.58Å; Y618-P644 HydrophobicContact CD1-CG 4.06Å; Y618-P644 HydrophobicContact CD2-CB 4Å; Y618-P644 HydrophobicContact CE1-CB 3.88Å; Y618-P644 HydrophobicContact CE1-CG 3.81Å; Y618-P644 HydrophobicContact CE2-CB 4.21Å; Y618-P644 HydrophobicContact CE2-CG 4.23Å; Y618-P644 HydrophobicContact CG-CB 3.66Å; Y618-P644 HydrophobicContact CG-CG 4.42Å; F623-P644 HydrophobicContact CE1-CB 4.35Å; F623-P644 HydrophobicContact CE2-CB 4.33Å; F623-P644 HydrophobicContact CE2-CG 4.08Å; F623-P644 HydrophobicContact CZ-CB 3.52Å; F623-P644 HydrophobicContact CZ-CG 3.71Å; G626-P644 WeakPolarHBondContact O-CG 3.45Å
645	T	97.1	Very high	94.3	Very high	33 Å²	33	35.6 Å²	35.6	20%	0.202	18%	0.178	C	C	.	.			trans	-148.5	154.8	169.7	53.5	0	0	0	0	110.1	Y618 D621 G647 R648	Y618-T645 WeakPolarHBondContact CB-O 3.42Å; D621-T645 HydrophobicContact CB-CG2 4.31Å; T645-G647 PolarHBondContact O-N 3.4Å; T645-R648 WeakPolarHBondContact O-CB 3.18Å; T645-R648 PolarHBondContact O-N 3.31Å; T645-R648 VanDerWaalsContact O-N 3.11Å; T645-R648 WeakPolarHBondContact OG1-CB 3.43Å; T645-R648 PolarHBondContact OG1-NE 3.49Å
646	C	97.8	Very high	94.5	Very high	23 Å²	23	35 Å²	35	16%	0.155	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	130.1	176.4	162.1	0	0	0	0	111.1	C484 R648	C484-C646 HydrophobicContact CB-CB 4.01Å; C484-C646 WeakPolarHBondContact CB-SG 3.18Å; C484-C646 WeakPolarHBondContact SG-CB 3.47Å; C484-C646 CovalentContact SG-SG 2.04Å; C484-C646 PolarHBondContact SG-SG 3.16Å; C646-R648 PolarHBondContact O-N 3.49Å
647	G	97.5	Very high	94.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	6.3	176.6	0	0	0	0	0	115.1	G477 V478 Y618 T645	G477-G647 PolarHBondContact N-O 3Å; V478-G647 WeakPolarHBondContact CB-O 2.99Å; V478-G647 PolarHBondContact N-O 3.33Å; Y618-G647 PolarHBondContact O-N 2.98Å; T645-G647 PolarHBondContact O-N 3.4Å
648	R	98.6	Very high	95.1	Very high	47 Å²	47	25 Å²	25	18%	0.177	12%	0.124	C	C	.	.			trans	-83.5	123.7	171.7	176.7	167.5	-73.9	170.6	-0.8	110.7	V474 L475 D476 Y618 K643 T645 C646	V474-R648 HydrophobicContact CG1-CG 3.62Å; L475-R648 CarbonylContact O-C 3.57Å; L475-R648 WeakPolarHBondContact O-CA 3.28Å; D476-R648 VanDerWaalsContact OD1-CB 3.28Å; D476-R648 WeakPolarHBondContact OD1-CB 3.42Å; D476-R648 VanDerWaalsContact OD1-CG 3.23Å; D476-R648 WeakPolarHBondContact OD1-CG 3.11Å; D476-R648 IonicContact OD1-CZ 2.75Å; D476-R648 IonicContact OD1-NE 2.65Å; D476-R648 PolarHBondContact OD1-NE 2.9Å; D476-R648 IonicContact OD1-NH2 3.9Å; D476-R648 IonicContact OD2-CZ 2.69Å; D476-R648 IonicContact OD2-NE 3.92Å; D476-R648 IonicContact OD2-NH2 3.59Å; D476-R648 PolarHBondContact OD2-NH2 3.34Å; Y618-R648 HydrophobicContact CD2-CB 4.29Å; Y618-R648 HydrophobicContact CD2-CG 4.22Å; Y618-R648 WeakPolarHBondContact CD2-O 3.4Å; Y618-R648 PolarHBondContact N-O 3.08Å; K643-R648 VanDerWaalsContact O-CD 3.3Å; K643-R648 WeakPolarHBondContact O-CD 3.33Å; K643-R648 PolarHBondContact O-NH1 3.02Å; T645-R648 WeakPolarHBondContact O-CB 3.18Å; T645-R648 PolarHBondContact O-N 3.31Å; T645-R648 VanDerWaalsContact O-N 3.11Å; T645-R648 WeakPolarHBondContact OG1-CB 3.43Å; T645-R648 PolarHBondContact OG1-NE 3.49Å; C646-R648 PolarHBondContact O-N 3.49Å
649	L	98.6	Very high	95.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.7	175.8	175.5	65.9	0	0	0	109.7	V474 L475 V478 V546 L549 L550 A615 V616 L617	V474-L649 CarbonylContact C-O 3.5Å; V474-L649 VanDerWaalsContact CA-O 3.28Å; V474-L649 WeakPolarHBondContact CA-O 3.1Å; L475-L649 HydrophobicContact CB-CB 4.31Å; L475-L649 HydrophobicContact CD1-CD2 4.23Å; L475-L649 PolarHBondContact N-O 3.38Å; L475-L649 PolarHBondContact O-N 2.76Å; V478-L649 HydrophobicContact CB-CB 4.49Å; V478-L649 HydrophobicContact CG2-CB 3.74Å; V478-L649 HydrophobicContact CG2-CD2 4.19Å; V546-L649 HydrophobicContact CB-CD1 4.47Å; V546-L649 HydrophobicContact CB-CD2 4.44Å; V546-L649 HydrophobicContact CG1-CD1 3.75Å; V546-L649 HydrophobicContact CG1-CD2 3.96Å; V546-L649 HydrophobicContact CG2-CD1 3.84Å; V546-L649 HydrophobicContact CG2-CD2 4.13Å; L549-L649 HydrophobicContact CD1-CD2 4.38Å; L550-L649 HydrophobicContact CD2-CD2 3.98Å; L550-L649 HydrophobicContact CG-CD2 4.29Å; A615-L649 HydrophobicContact CB-CD1 3.93Å; V616-L649 WeakPolarHBondContact O-CA 3.45Å; L617-L649 HydrophobicContact CB-CD1 3.99Å; L617-L649 HydrophobicContact CD1-CB 4Å; L617-L649 HydrophobicContact CD1-CD1 4.46Å
650	V	98.5	Very high	95.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.7	164.8	-167.7	0	0	0	0	107.4	V473 V474 A615 V616 Y618 L628 F630 V642 F652	V473-V650 WeakPolarHBondContact O-CA 3.25Å; V474-V650 HydrophobicContact CG2-CG1 4.46Å; V474-V650 HydrophobicContact CG2-CG2 4.36Å; A615-V650 CarbonylContact C-O 3.57Å; A615-V650 WeakPolarHBondContact CA-O 3.43Å; V616-V650 PolarHBondContact N-O 3.49Å; V616-V650 PolarHBondContact O-N 3.03Å; Y618-V650 HydrophobicContact CD2-CG2 4.47Å; Y618-V650 HydrophobicContact CE2-CG2 3.76Å; L628-V650 HydrophobicContact CD2-CG1 4.34Å; F630-V650 HydrophobicContact CE2-CG1 4.29Å; F630-V650 HydrophobicContact CZ-CG1 4.05Å; V642-V650 HydrophobicContact CB-CG2 4.26Å; V642-V650 HydrophobicContact CG1-CG2 3.7Å; V642-V650 HydrophobicContact CG2-CG2 4.49Å; V650-F652 HydrophobicContact CG1-CD1 4.05Å; V650-F652 HydrophobicContact CG1-CE1 4.36Å
651	G	97.6	Very high	95.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.5	175.6	0	0	0	0	0	110.4	R472 V473 S614	R472-G651 CarbonylContact C-O 3.48Å; R472-G651 VanDerWaalsContact CA-O 3.28Å; R472-G651 WeakPolarHBondContact CA-O 3.48Å; V473-G651 PolarHBondContact N-O 3.35Å; V473-G651 PolarHBondContact O-N 2.71Å; S614-G651 WeakPolarHBondContact O-CA 3.33Å
652	F	96.6	Very high	95.3	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	157	-178.9	53	-87.4	0	0	0	111.5	N471 R472 L613 S614 L628 F630 V650 N658 H660	N471-F652 VanDerWaalsContact O-CA 3.25Å; N471-F652 WeakPolarHBondContact O-CA 3.45Å; R472-F652 HydrophobicContact CB-CB 3.75Å; L613-F652 WeakPolarHBondContact CD1-O 3.42Å; S614-F652 PolarHBondContact N-O 3.49Å; S614-F652 PolarHBondContact O-N 3.32Å; L628-F652 HydrophobicContact CD1-CE1 4.46Å; F630-F652 HydrophobicContact CE1-CB 4.22Å; F630-F652 AromaticContact CE1-CD1 3.95Å; F630-F652 HydrophobicContact CE1-CD1 3.95Å; F630-F652 HydrophobicContact CE1-CD2 4.24Å; F630-F652 HydrophobicContact CE1-CE1 4.39Å; F630-F652 AromaticContact CE1-CG 3.87Å; F630-F652 HydrophobicContact CE1-CG 3.87Å; F630-F652 HydrophobicContact CZ-CB 4.31Å; F630-F652 AromaticContact CZ-CD1 3.77Å; F630-F652 HydrophobicContact CZ-CD1 3.77Å; F630-F652 HydrophobicContact CZ-CE1 4.31Å; F630-F652 HydrophobicContact CZ-CG 4.07Å; V650-F652 HydrophobicContact CG1-CD1 4.05Å; V650-F652 HydrophobicContact CG1-CE1 4.36Å; F652-N658 HydrophobicContact CB-CB 4.31Å; F652-N658 HydrophobicContact CD2-CB 3.89Å; F652-N658 HydrophobicContact CG-CB 4.43Å; F652-H660 AromaticContact CE2-CE1 3.32Å; F652-H660 WeakPolarHBondContact CE2-CE1 3.49Å; F652-H660 AromaticContact CE2-ND1 3.53Å; F652-H660 AromaticContact CE2-NE2 3.86Å; F652-H660 AromaticContact CZ-CD2 3.94Å; F652-H660 AromaticContact CZ-CE1 3.53Å; F652-H660 AromaticContact CZ-ND1 3.85Å; F652-H660 AromaticContact CZ-NE2 3.56Å
653	S	93.8	Very high	95.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	139.9	170.8	56.4	0	0	0	0	111.2	D443 N471 G655 N658	D443-S653 WeakPolarHBondContact OD2-CB 3.4Å; D443-S653 PolarHBondContact OD2-OG 2.97Å; N471-S653 PolarHBondContact O-N 2.81Å; N471-S653 VanDerWaalsContact O-N 3.13Å; S653-G655 PolarHBondContact O-N 3.2Å; S653-G655 VanDerWaalsContact O-N 3.12Å; S653-N658 WeakPolarHBondContact O-CB 3.33Å; S653-N658 PolarHBondContact O-ND2 3.25Å; S653-N658 PolarHBondContact OG-ND2 3.45Å
654	S	93.8	Very high	94.9	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.014	6%	0.059	C	C	.	.	S	Bend	trans	-72.8	-1.8	-175.5	-62.8	0	0	0	0	114.5	V589 D590 N591 R611 D612 L613 S614	V589-S654 WeakPolarHBondContact CG1-O 3.46Å; D590-S654 PolarHBondContact N-O 3.45Å; N591-S654 PolarHBondContact N-O 3.01Å; N591-S654 VanDerWaalsContact N-O 3.17Å; N591-S654 PolarHBondContact OD1-O 3.47Å; R611-S654 WeakPolarHBondContact O-CB 3.38Å; D612-S654 PolarHBondContact O-N 3.44Å; L613-S654 WeakPolarHBondContact CA-OG 3.49Å; L613-S654 PolarHBondContact N-OG 3.03Å; L613-S654 PolarHBondContact O-OG 3.14Å; S614-S654 PolarHBondContact OG-OG 3.49Å
655	G	88.5	Confident	94.8	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.01	6%	0.058	C	C	.	.	S	Bend	trans	-81.7	-179	-169.7	0	0	0	0	0	116	V589 N591 S653 V657 N658	V589-G655 VanDerWaalsContact CG1-C 3.42Å; V589-G655 VanDerWaalsContact CG1-O 3.24Å; V589-G655 WeakPolarHBondContact CG1-O 3.42Å; N591-G655 WeakPolarHBondContact OD1-CA 3.45Å; S653-G655 PolarHBondContact O-N 3.2Å; S653-G655 VanDerWaalsContact O-N 3.12Å; G655-V657 PolarHBondContact O-N 3.07Å; G655-N658 PolarHBondContact O-N 3.37Å; G655-N658 VanDerWaalsContact O-N 3.12Å
656	P	86.4	Confident	94.5	Very high	14 Å²	14	11.4 Å²	11.4	9%	0.091	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.9	-174.5	25.9	-35.8	0	0	0	115	C601 P659	C601-P656 HydrophobicContact CB-CB 3.69Å; P656-P659 VanDerWaalsContact O-CD 3.31Å; P656-P659 WeakPolarHBondContact O-CD 3.32Å; P656-P659 WeakPolarHBondContact O-CG 3.24Å
657	V	88.3	Confident	94.3	Very high	24 Å²	24	12 Å²	12	15%	0.145	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.2	178.7	-56.5	0	0	0	0	113.6	E441 D443 T470 G655	E441-V657 HydrophobicContact CB-CG1 4.2Å; E441-V657 WeakPolarHBondContact O-CG1 3.32Å; D443-V657 HydrophobicContact CB-CG2 4.05Å; T470-V657 WeakPolarHBondContact OG1-CB 3.28Å; G655-V657 PolarHBondContact O-N 3.07Å
658	N	93.3	Very high	94.2	Very high	1 Å²	1	14 Å²	14	1%	0.005	9%	0.094	C	C	.	.			trans	-123.7	54.8	178.5	-72.3	-57.9	0	0	0	114	T470 R472 F630 F652 S653 G655 H660	T470-N658 PolarHBondContact O-ND2 2.95Å; T470-N658 VanDerWaalsContact O-ND2 3.1Å; R472-N658 WeakPolarHBondContact CD-OD1 3.46Å; R472-N658 PolarHBondContact NH1-OD1 2.82Å; F630-N658 HydrophobicContact CD1-CB 4.29Å; F630-N658 HydrophobicContact CE1-CB 4.17Å; F652-N658 HydrophobicContact CB-CB 4.31Å; F652-N658 HydrophobicContact CD2-CB 3.89Å; F652-N658 HydrophobicContact CG-CB 4.43Å; S653-N658 WeakPolarHBondContact O-CB 3.33Å; S653-N658 PolarHBondContact O-ND2 3.25Å; S653-N658 PolarHBondContact OG-ND2 3.45Å; G655-N658 PolarHBondContact O-N 3.37Å; G655-N658 VanDerWaalsContact O-N 3.12Å; N658-H660 PolarHBondContact O-N 3.3Å; N658-H660 PolarHBondContact O-ND1 2.84Å
659	P	94	Very high	94	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.013	10%	0.097	C	C	.	.			trans	-57.1	132.6	165.5	-20.3	34	0	0	0	110.2	V587 H588 V589 L594 F630 T631 R633 P656	V587-P659 HydrophobicContact CG1-CB 4.25Å; H588-P659 WeakPolarHBondContact O-CA 3.08Å; V589-P659 HydrophobicContact CG2-CB 4.05Å; V589-P659 HydrophobicContact CG2-CG 3.94Å; L594-P659 HydrophobicContact CD2-CB 3.97Å; L594-P659 HydrophobicContact CD2-CG 4.19Å; F630-P659 CarbonylContact C-O 3.49Å; F630-P659 VanDerWaalsContact CA-O 3.32Å; F630-P659 WeakPolarHBondContact CA-O 3.33Å; T631-P659 PolarHBondContact N-O 3.01Å; T631-P659 WeakPolarHBondContact OG1-CB 3.18Å; R633-P659 HydrophobicContact CG-CG 4.27Å; P656-P659 VanDerWaalsContact O-CD 3.31Å; P656-P659 WeakPolarHBondContact O-CD 3.32Å; P656-P659 WeakPolarHBondContact O-CG 3.24Å
660	H	96.7	Very high	94	Very high	12 Å²	12	15.4 Å²	15.4	6%	0.056	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	156.1	-174.6	64.1	-80.2	0	0	0	113	V587 H588 D590 F629 F630 F652 N658	V587-H660 VanDerWaalsContact CA-O 3.29Å; V587-H660 WeakPolarHBondContact CA-O 3.12Å; H588-H660 AromaticContact CE1-CD2 3.72Å; H588-H660 AromaticContact CE1-CE1 3.86Å; H588-H660 AromaticContact CE1-NE2 3.26Å; H588-H660 PolarHBondContact CE1-NE2 3.45Å; H588-H660 VanDerWaalsContact CE1-NE2 3.26Å; H588-H660 PolarHBondContact N-O 2.99Å; H588-H660 PolarHBondContact ND1-O 3.23Å; H588-H660 VanDerWaalsContact ND1-O 3.11Å; H588-H660 AromaticContact NE2-CE1 3.93Å; H588-H660 AromaticContact NE2-NE2 3.55Å; H588-H660 PolarHBondContact O-N 3.3Å; D590-H660 IonicContact OD2-CE1 3.37Å; D590-H660 PolarHBondContact OD2-CE1 2.9Å; D590-H660 VanDerWaalsContact OD2-CE1 3.3Å; D590-H660 IonicContact OD2-NE2 3.19Å; F629-H660 CarbonylContact O-C 3.49Å; F629-H660 WeakPolarHBondContact O-CA 3.2Å; F629-H660 WeakPolarHBondContact O-CB 3.43Å; F630-H660 HydrophobicContact CD1-CB 3.77Å; F630-H660 HydrophobicContact CE1-CB 4.06Å; F630-H660 HydrophobicContact CG-CB 4.48Å; F652-H660 AromaticContact CE2-CE1 3.32Å; F652-H660 WeakPolarHBondContact CE2-CE1 3.49Å; F652-H660 AromaticContact CE2-ND1 3.53Å; F652-H660 AromaticContact CE2-NE2 3.86Å; F652-H660 AromaticContact CZ-CD2 3.94Å; F652-H660 AromaticContact CZ-CE1 3.53Å; F652-H660 AromaticContact CZ-ND1 3.85Å; F652-H660 AromaticContact CZ-NE2 3.56Å; N658-H660 PolarHBondContact O-N 3.3Å; N658-H660 PolarHBondContact O-ND1 2.84Å
661	G	95.6	Very high	93.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	176.9	177.6	0	0	0	0	0	111.9	L628 F629	L628-G661 WeakPolarHBondContact CA-O 3.33Å; F629-G661 VanDerWaalsContact CD1-O 3.3Å; F629-G661 WeakPolarHBondContact CD1-O 3.41Å; F629-G661 PolarHBondContact N-O 3.15Å; F629-G661 PolarHBondContact O-N 3.34Å
662	V	96.4	Very high	94	Very high	15 Å²	15	15.7 Å²	15.7	9%	0.091	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.8	177.8	-174.8	0	0	0	0	109.5	L583 S584 H585 E627	L583-V662 WeakPolarHBondContact CB-O 3.49Å; S584-V662 PolarHBondContact N-O 3.43Å; H585-V662 HydrophobicContact CB-CB 3.86Å; H585-V662 HydrophobicContact CB-CG2 3.93Å; H585-V662 PolarHBondContact N-O 3.06Å; H585-V662 PolarHBondContact O-N 3.23Å; E627-V662 CarbonylContact O-C 3.05Å; E627-V662 WeakPolarHBondContact O-CA 3.37Å
663	T	94.9	Very high	94.1	Very high	24 Å²	24	15.6 Å²	15.6	15%	0.147	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	154	174.9	57.2	0	0	0	0	111.1	S584 G626 E627 F629	S584-T663 VanDerWaalsContact CB-O 3.25Å; S584-T663 WeakPolarHBondContact CB-O 3.48Å; G626-T663 VanDerWaalsContact CA-O 3.31Å; G626-T663 WeakPolarHBondContact CA-O 3.13Å; G626-T663 PolarHBondContact N-O 2.93Å; G626-T663 PolarHBondContact N-OG1 3.48Å; E627-T663 HydrophobicContact CB-CG2 4.47Å; E627-T663 WeakPolarHBondContact CB-OG1 3.45Å; E627-T663 PolarHBondContact N-OG1 3.41Å; E627-T663 PolarHBondContact O-N 2.99Å; E627-T663 PolarHBondContact O-OG1 2.93Å; F629-T663 HydrophobicContact CD1-CG2 3.87Å; F629-T663 HydrophobicContact CE1-CG2 4.08Å
664	A	92.6	Very high	94.2	Very high	14 Å²	14	16.3 Å²	16.3	12%	0.116	11%	0.107	C	C	.	.			trans	-59.3	140	-176.3	0	0	0	0	0	112.1	D582 G625 G626	D582-A664 WeakPolarHBondContact O-CB 3.42Å; G625-A664 WeakPolarHBondContact CA-O 3.4Å; G626-A664 PolarHBondContact N-O 3.43Å; G626-A664 VanDerWaalsContact N-O 3.11Å
665	V	93.8	Very high	94.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	110.2	171.6	-179.3	0	0	0	0	107.6	E512 R570 A572 Q577 R580 D624 R670	E512-V665 PolarHBondContact OE1-N 2.94Å; R570-V665 HydrophobicContact CB-CG2 4.49Å; A572-V665 HydrophobicContact CB-CG1 4.41Å; A572-V665 WeakPolarHBondContact CB-O 3.42Å; Q577-V665 PolarHBondContact OE1-O 3.43Å; R580-V665 PolarHBondContact NH1-O 2.75Å; R580-V665 PolarHBondContact NH2-O 3.36Å; D624-V665 WeakPolarHBondContact O-CA 3.42Å; V665-R670 HydrophobicContact CG2-CB 4.12Å
666	T	91.8	Very high	94.9	Very high	59 Å²	59	17.8 Å²	17.8	36%	0.362	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-24.1	-171.6	51.2	0	0	0	0	113.4	Q577 D624	Q577-T666 WeakPolarHBondContact CG-O 3.43Å; D624-T666 VanDerWaalsContact CB-OG1 3.31Å; D624-T666 WeakPolarHBondContact CB-OG1 3.1Å; D624-T666 PolarHBondContact O-N 2.87Å; D624-T666 PolarHBondContact O-OG1 3.41Å
667	A	93.2	Very high	95.3	Very high	37 Å²	37	17.1 Å²	17.1	31%	0.306	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151.7	173.6	0	0	0	0	0	110.5	F623 D624	F623-A667 WeakPolarHBondContact CA-O 3.44Å; F623-A667 WeakPolarHBondContact CB-O 3.42Å; D624-A667 HydrophobicContact CB-CB 4.04Å; D624-A667 PolarHBondContact N-O 2.85Å
668	G	94.3	Very high	95.5	Very high	42 Å²	42	16 Å²	16	43%	0.433	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.6	-163.3	177.4	0	0	0	0	0	114.4	A572	A572-G668 PolarHBondContact N-O 3.34Å; A572-G668 VanDerWaalsContact N-O 3.1Å
669	R	96	Very high	95.3	Very high	62 Å²	62	19.7 Å²	19.7	23%	0.234	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	114.2	-176.6	174.6	174.8	176.5	-149.4	0	109.7	T492 E515 C569 R570 S571 N620	T492-R669 PolarHBondContact OG1-NH1 2.92Å; E515-R669 IonicContact OE2-CZ 3.52Å; E515-R669 IonicContact OE2-NE 3.84Å; E515-R669 IonicContact OE2-NH2 2.62Å; C569-R669 HydrophobicContact CB-CG 4.4Å; C569-R669 PolarHBondContact SG-NH2 2.87Å; C569-R669 VanDerWaalsContact SG-NH2 3.44Å; R570-R669 CarbonylContact O-C 3.3Å; R570-R669 WeakPolarHBondContact O-CA 3.16Å; S571-R669 WeakPolarHBondContact OG-CD 3.49Å; S571-R669 VanDerWaalsContact OG-CG 3.31Å; S571-R669 WeakPolarHBondContact OG-CG 3.41Å; N620-R669 PolarHBondContact ND2-O 3.49Å
670	R	97.4	Very high	95	Very high	14 Å²	14	23.6 Å²	23.6	5%	0.053	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.9	176.1	172.5	178.1	-177.7	-79.1	19.9	110.4	C569 R570 Y618 F623 G626 V665	C569-R670 CarbonylContact C-O 3.53Å; C569-R670 VanDerWaalsContact CA-O 3.23Å; C569-R670 WeakPolarHBondContact CA-O 3.21Å; R570-R670 PolarHBondContact N-O 3.13Å; R570-R670 PolarHBondContact O-N 2.54Å; Y618-R670 VanDerWaalsContact CE1-CZ 3.47Å; Y618-R670 PolarHBondContact OH-NH2 2.91Å; F623-R670 HydrophobicContact CD1-CB 3.88Å; F623-R670 HydrophobicContact CD1-CG 4.45Å; F623-R670 HydrophobicContact CD2-CB 4Å; F623-R670 HydrophobicContact CE1-CB 3.66Å; F623-R670 HydrophobicContact CE1-CG 3.73Å; F623-R670 HydrophobicContact CE2-CB 3.82Å; F623-R670 HydrophobicContact CE2-CG 3.83Å; F623-R670 HydrophobicContact CG-CB 4.02Å; F623-R670 HydrophobicContact CZ-CB 3.62Å; F623-R670 HydrophobicContact CZ-CG 3.36Å; G626-R670 PolarHBondContact O-NE 3Å; G626-R670 PolarHBondContact O-NH2 3.18Å; V665-R670 HydrophobicContact CG2-CB 4.12Å
671	C	98.1	Very high	94.6	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.3	173.9	-64.4	0	0	0	0	111.8	L488 V568 C569 L619 N620	L488-C671 HydrophobicContact CD2-CB 3.6Å; V568-C671 CarbonylContact O-C 3.57Å; V568-C671 VanDerWaalsContact O-CA 3.3Å; V568-C671 WeakPolarHBondContact O-CA 3.45Å; C569-C671 HydrophobicContact CB-CB 4.21Å; C569-C671 WeakPolarHBondContact CB-SG 3.47Å; C569-C671 WeakPolarHBondContact SG-CB 3.44Å; C569-C671 CovalentContact SG-SG 2.05Å; C569-C671 PolarHBondContact SG-SG 2.64Å; L619-C671 HydrophobicContact CB-CB 4.36Å; L619-C671 HydrophobicContact CD1-CB 4.15Å; L619-C671 PolarHBondContact N-O 3.29Å; L619-C671 VanDerWaalsContact N-O 3.1Å; N620-C671 PolarHBondContact OD1-N 3.28Å; N620-C671 PolarHBondContact OD1-O 3.07Å
672	A	98.1	Very high	94.3	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.033	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	153.7	178.8	0	0	0	0	0	111.1	V568 V616 L617 Y618	V568-A672 PolarHBondContact N-O 2.91Å; V568-A672 PolarHBondContact O-N 3.3Å; V616-A672 HydrophobicContact CG1-CB 3.82Å; L617-A672 CarbonylContact O-C 3.49Å; L617-A672 VanDerWaalsContact O-CA 3.24Å; L617-A672 WeakPolarHBondContact O-CA 3.33Å; Y618-A672 HydrophobicContact CD1-CB 3.78Å; Y618-A672 HydrophobicContact CE1-CB 4.01Å
673	L	98.3	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	111.8	168.5	-175.1	66.5	0	0	0	108.5	L539 M542 T565 L567 V616 L617 L675	L539-L673 HydrophobicContact CD1-CD1 3.76Å; L539-L673 HydrophobicContact CD1-CD2 4.46Å; M542-L673 HydrophobicContact CB-CD2 4.19Å; M542-L673 HydrophobicContact CE-CD2 4.37Å; T565-L673 HydrophobicContact CG2-CD1 3.75Å; T565-L673 HydrophobicContact CG2-CG 4.44Å; L567-L673 HydrophobicContact CB-CD1 4.11Å; V616-L673 WeakPolarHBondContact CA-O 3.34Å; L617-L673 HydrophobicContact CB-CB 4.24Å; L617-L673 PolarHBondContact N-O 2.49Å; L617-L673 PolarHBondContact O-N 2.69Å; L673-L675 HydrophobicContact CD2-CD1 4.11Å; L673-L675 HydrophobicContact CD2-CD2 4.23Å; L673-L675 HydrophobicContact CD2-CG 4.34Å; L673-L675 HydrophobicContact CG-CD1 4.25Å; L673-L675 HydrophobicContact CG-CD2 4.18Å; L673-L675 HydrophobicContact CG-CG 4.07Å
674	A	97.6	Very high	93.9	Very high	15 Å²	15	39.9 Å²	39.9	12%	0.124	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.6	173.9	0	0	0	0	0	109.9	H566 W676	H566-A674 PolarHBondContact N-O 3.25Å; H566-A674 PolarHBondContact O-N 3.02Å; A674-W676 HydrophobicContact CB-CH2 3.53Å; A674-W676 HydrophobicContact CB-CZ2 4.21Å; A674-W676 HydrophobicContact CB-CZ3 3.71Å
675	L	98.1	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.4	-171.7	-64.4	159.9	0	0	0	109.1	V546 F562 T565 S614 A615 L673 F677	V546-L675 HydrophobicContact CB-CD1 3.64Å; V546-L675 HydrophobicContact CG1-CD1 3.53Å; V546-L675 HydrophobicContact CG2-CD1 3.76Å; F562-L675 HydrophobicContact CD1-CD2 4.18Å; F562-L675 HydrophobicContact CE1-CD2 3.95Å; T565-L675 HydrophobicContact CG2-CD2 3.51Å; T565-L675 WeakPolarHBondContact OG1-CD2 3.5Å; S614-L675 CarbonylContact C-O 3.45Å; S614-L675 WeakPolarHBondContact CA-O 3.22Å; A615-L675 HydrophobicContact CB-CB 4.16Å; A615-L675 PolarHBondContact N-O 3.33Å; A615-L675 PolarHBondContact O-N 3.31Å; L673-L675 HydrophobicContact CD2-CD1 4.11Å; L673-L675 HydrophobicContact CD2-CD2 4.23Å; L673-L675 HydrophobicContact CD2-CG 4.34Å; L673-L675 HydrophobicContact CG-CD1 4.25Å; L673-L675 HydrophobicContact CG-CD2 4.18Å; L673-L675 HydrophobicContact CG-CG 4.07Å; L675-F677 HydrophobicContact CB-CE2 3.9Å; L675-F677 HydrophobicContact CB-CZ 4Å
676	W	97.4	Very high	93.8	Very high	34 Å²	34	45.5 Å²	45.5	13%	0.129	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.6	173	-62.3	-89.7	0	0	0	109.6	S563 Y564 H566 D590 R611 A674	S563-W676 PolarHBondContact N-O 3.13Å; Y564-W676 AromaticContact CD1-CE3 3.77Å; Y564-W676 HydrophobicContact CD1-CE3 3.77Å; Y564-W676 AromaticContact CD1-CZ3 3.56Å; Y564-W676 HydrophobicContact CD1-CZ3 3.56Å; Y564-W676 HydrophobicContact CE1-CZ3 4.22Å; Y564-W676 HydrophobicContact CG-CE3 4.4Å; Y564-W676 PolarHBondContact N-O 3.19Å; Y564-W676 PolarHBondContact O-N 3.44Å; H566-W676 HydrophobicContact CB-CZ3 4.34Å; D590-W676 VanDerWaalsContact CG-NE1 3.28Å; D590-W676 PolarHBondContact OD1-NE1 2.66Å; D590-W676 PolarHBondContact OD2-NE1 2.93Å; R611-W676 VanDerWaalsContact CD-CD1 3.47Å; R611-W676 HydrophobicContact CG-CB 4.19Å; R611-W676 VanDerWaalsContact NH1-CE2 3.28Å; A674-W676 HydrophobicContact CB-CH2 3.53Å; A674-W676 HydrophobicContact CB-CZ2 4.21Å; A674-W676 HydrophobicContact CB-CZ3 3.71Å
677	F	95.6	Very high	93.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.7	-177.4	-53.3	-87.8	0	0	0	111.7	V546 R547 L550 L560 H561 F562 D612 L613 A615 L675	V546-F677 HydrophobicContact CG1-CE2 4.39Å; V546-F677 HydrophobicContact CG1-CZ 4.16Å; R547-F677 HydrophobicContact CB-CE1 3.69Å; R547-F677 HydrophobicContact CB-CZ 4.16Å; R547-F677 HydrophobicContact CG-CD1 4.16Å; R547-F677 HydrophobicContact CG-CE1 3.72Å; L550-F677 HydrophobicContact CD1-CE2 4.21Å; L560-F677 HydrophobicContact CD1-CB 3.55Å; L560-F677 HydrophobicContact CD1-CG 4.26Å; L560-F677 HydrophobicContact CD2-CB 4.49Å; L560-F677 HydrophobicContact CD2-CD1 4.3Å; L560-F677 HydrophobicContact CD2-CG 4.33Å; L560-F677 HydrophobicContact CG-CB 3.91Å; L560-F677 HydrophobicContact CG-CD1 4.1Å; L560-F677 HydrophobicContact CG-CG 4.16Å; H561-F677 CarbonylContact O-C 3.52Å; H561-F677 WeakPolarHBondContact O-CA 3.37Å; H561-F677 WeakPolarHBondContact O-CB 3.4Å; F562-F677 HydrophobicContact CD1-CD1 4.08Å; F562-F677 AromaticContact CD1-CE1 3.52Å; F562-F677 HydrophobicContact CD1-CE1 3.52Å; F562-F677 HydrophobicContact CD1-CZ 4.24Å; F562-F677 HydrophobicContact CE1-CD1 4.31Å; F562-F677 AromaticContact CE1-CE1 3.35Å; F562-F677 HydrophobicContact CE1-CE1 3.35Å; F562-F677 AromaticContact CE1-CZ 3.89Å; F562-F677 HydrophobicContact CE1-CZ 3.89Å; F562-F677 HydrophobicContact CE2-CE1 4.45Å; F562-F677 HydrophobicContact CG-CD1 4.39Å; F562-F677 HydrophobicContact CG-CE1 4.17Å; F562-F677 AromaticContact CZ-CE1 3.86Å; F562-F677 HydrophobicContact CZ-CE1 3.86Å; D612-F677 PolarHBondContact N-O 3.15Å; L613-F677 HydrophobicContact CB-CB 4.14Å; L613-F677 HydrophobicContact CB-CD2 4.18Å; L613-F677 HydrophobicContact CD2-CD2 4.28Å; L613-F677 HydrophobicContact CG-CD2 4.47Å; L613-F677 PolarHBondContact N-O 2.96Å; L613-F677 PolarHBondContact O-N 3.41Å; A615-F677 HydrophobicContact CB-CE2 4.2Å; L675-F677 HydrophobicContact CB-CE2 3.9Å; L675-F677 HydrophobicContact CB-CZ 4Å
678	T	92.3	Very high	93.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.4	176.9	-176.1	0	0	0	0	110.8	H561 H610 D612 E680 H683	H561-T678 HydrophobicContact CB-CG2 4.13Å; H561-T678 PolarHBondContact N-O 2.91Å; H561-T678 PolarHBondContact O-N 3.48Å; H610-T678 WeakPolarHBondContact O-CB 3.5Å; H610-T678 PolarHBondContact O-OG1 3.11Å; D612-T678 WeakPolarHBondContact OD2-CA 3.41Å; D612-T678 PolarHBondContact OD2-OG1 3.04Å; T678-E680 VanDerWaalsContact C-N 3.25Å; T678-E680 WeakPolarHBondContact CG2-O 3.4Å; T678-E680 PolarHBondContact OG1-N 3.31Å; T678-H683 HydrophobicContact CG2-CB 4.05Å
679	K	88.4	Confident	93.4	Very high	78 Å²	78	46.9 Å²	46.9	34%	0.339	21%	0.213	S	C	.	.	S	Bend	trans	-76.4	-18.4	167.7	-67.3	176.2	-63	-163	0	111.5	S445 P557 G559 D612	S445-K679 PolarHBondContact O-NZ 3.23Å; P557-K679 HydrophobicContact CG-CD 3.76Å; P557-K679 HydrophobicContact CG-CG 4.29Å; G559-K679 WeakPolarHBondContact O-CA 3.43Å; D612-K679 HydrophobicContact CB-CG 4.4Å; D612-K679 WeakPolarHBondContact OD1-CE 3.41Å; D612-K679 IonicContact OD1-NZ 2.65Å; D612-K679 PolarHBondContact OD1-NZ 2.93Å; D612-K679 PolarHBondContact OD2-N 3.09Å
680	E	88	Confident	93.2	Very high	84 Å²	84	48 Å²	48	39%	0.393	22%	0.221	S	C	.	.			trans	-96.4	105.4	-170.8	-63.2	-176.3	-159.1	0	0	111.2	T678 H682 H683	T678-E680 VanDerWaalsContact C-N 3.25Å; T678-E680 WeakPolarHBondContact CG2-O 3.4Å; T678-E680 PolarHBondContact OG1-N 3.31Å; E680-H682 PolarHBondContact O-N 2.98Å; E680-H682 IonicContact OE2-CE1 3.93Å; E680-H682 PolarHBondContact OE2-CE1 2.9Å; E680-H682 IonicContact OE2-ND1 3.78Å; E680-H682 IonicContact OE2-NE2 2.83Å; E680-H683 PolarHBondContact O-N 2.98Å; E680-H683 IonicContact OE2-CD2 3.73Å; E680-H683 PolarHBondContact OE2-CD2 3.37Å; E680-H683 IonicContact OE2-NE2 3.31Å
681	K	88.7	Confident	92.9	Very high	129 Å²	129	47.4 Å²	47.4	56%	0.561	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-52.9	-28.8	-177.4	-173.7	178.4	178.2	-179.4	0	114.2	H683 R684	K681-H683 VanDerWaalsContact C-N 3.29Å; K681-H683 PolarHBondContact O-N 3.02Å; K681-R684 WeakPolarHBondContact O-CB 3.41Å; K681-R684 WeakPolarHBondContact O-CD 3.17Å; K681-R684 WeakPolarHBondContact O-CG 3.46Å; K681-R684 PolarHBondContact O-N 3.34Å; K681-R684 PolarHBondContact O-NH1 3.47Å
682	H	90.5	Very high	92.6	Very high	133 Å²	133	50.7 Å²	50.7	62%	0.616	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-76.5	-16.9	-178.5	67.4	-84	0	0	0	113.5	E680	E680-H682 PolarHBondContact O-N 2.98Å; E680-H682 IonicContact OE2-CE1 3.93Å; E680-H682 PolarHBondContact OE2-CE1 2.9Å; E680-H682 IonicContact OE2-ND1 3.78Å; E680-H682 IonicContact OE2-NE2 2.83Å
683	H	88.9	Confident	92.3	Very high	69 Å²	69	54.1 Å²	54.1	32%	0.319	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-95.7	17.8	174.1	-76.3	-63.8	0	0	0	113.4	H610 T678 E680 K681	H610-H683 HydrophobicContact CB-CB 4.04Å; H610-H683 VanDerWaalsContact CB-CD2 3.43Å; H610-H683 WeakPolarHBondContact CB-CD2 3.3Å; H610-H683 AromaticContact CD2-CG 3.84Å; H610-H683 AromaticContact CE1-ND1 4Å; H610-H683 AromaticContact CG-CD2 3.87Å; H610-H683 AromaticContact CG-CG 3.54Å; H610-H683 AromaticContact CG-ND1 3.73Å; H610-H683 AromaticContact ND1-CE1 3.92Å; H610-H683 AromaticContact ND1-CG 3.97Å; H610-H683 AromaticContact ND1-ND1 3.66Å; T678-H683 HydrophobicContact CG2-CB 4.05Å; E680-H683 PolarHBondContact O-N 2.98Å; E680-H683 IonicContact OE2-CD2 3.73Å; E680-H683 PolarHBondContact OE2-CD2 3.37Å; E680-H683 IonicContact OE2-NE2 3.31Å; K681-H683 VanDerWaalsContact C-N 3.29Å; K681-H683 PolarHBondContact O-N 3.02Å
684	R	92.1	Very high	91.9	Very high	63 Å²	63	56.1 Å²	56.1	24%	0.238	27%	0.268	C	S	.	.	S	Bend	trans	-75.6	150.8	179.6	74.3	-168.6	-177.2	-69.7	-16.2	112.7	H561 F562 K681 M686 E689	H561-R684 HydrophobicContact CB-CB 3.97Å; F562-R684 CarbonylContact O-C 3.49Å; F562-R684 WeakPolarHBondContact O-CA 3.49Å; K681-R684 WeakPolarHBondContact O-CB 3.41Å; K681-R684 WeakPolarHBondContact O-CD 3.17Å; K681-R684 WeakPolarHBondContact O-CG 3.46Å; K681-R684 PolarHBondContact O-N 3.34Å; K681-R684 PolarHBondContact O-NH1 3.47Å; R684-M686 HydrophobicContact CG-SD 4.32Å; R684-M686 PolarHBondContact O-N 3.28Å; R684-E689 WeakPolarHBondContact CD-OE1 3.47Å; R684-E689 IonicContact CZ-OE1 3.98Å; R684-E689 IonicContact CZ-OE2 3.75Å; R684-E689 IonicContact NE-OE1 3.67Å; R684-E689 PolarHBondContact NE-OE1 3.36Å; R684-E689 IonicContact NE-OE2 3.33Å; R684-E689 PolarHBondContact NE-OE2 3.45Å; R684-E689 IonicContact NH2-OE1 2.8Å; R684-E689 IonicContact NH2-OE2 2.96Å; R684-E689 PolarHBondContact NH2-OE2 3.04Å
685	D	93.3	Very high	91.3	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.102	27%	0.271	C	S	.	.			trans	-64.8	99	178	-172.7	-18.5	0	0	0	111.1	F562 S563 E687 R688 E689	F562-D685 HydrophobicContact CB-CB 4.24Å; F562-D685 PolarHBondContact O-N 3.17Å; S563-D685 WeakPolarHBondContact O-CB 3.08Å; D685-E687 VanDerWaalsContact C-N 3.31Å; D685-E687 PolarHBondContact O-N 2.96Å; D685-E687 WeakPolarHBondContact OD1-CA 3.27Å; D685-E687 WeakPolarHBondContact OD1-CB 3.36Å; D685-E687 PolarHBondContact OD1-N 2.76Å; D685-R688 HydrophobicContact CB-CB 3.98Å; D685-R688 PolarHBondContact O-N 3.04Å; D685-R688 PolarHBondContact OD1-N 3.37Å; D685-E689 PolarHBondContact O-N 3.41Å
686	M	91.5	Very high	90.5	Very high	112 Å²	112	60.8 Å²	60.8	55%	0.552	30%	0.296	S	S	*	.	H	α-helix	trans	-69.5	-26.8	178.9	-63.8	-61.3	-54.5	0	0	112.6	R684 R688 E689 E690	R684-M686 HydrophobicContact CG-SD 4.32Å; R684-M686 PolarHBondContact O-N 3.28Å; M686-R688 VanDerWaalsContact C-N 3.3Å; M686-E689 PolarHBondContact O-N 3.37Å; M686-E690 PolarHBondContact O-N 3Å; M686-E690 VanDerWaalsContact O-N 3.08Å
687	E	90	Very high	89.3	Confident	89 Å²	89	62.2 Å²	62.2	42%	0.416	32%	0.315	S	S	.	.	H	α-helix	trans	-68.1	-36.3	176.1	-67.6	-163.2	166.1	0	0	110.6	L520 D685 E690 A691	L520-E687 HydrophobicContact CB-CB 4.1Å; L520-E687 HydrophobicContact CD2-CB 3.78Å; L520-E687 HydrophobicContact CD2-CG 4Å; D685-E687 VanDerWaalsContact C-N 3.31Å; D685-E687 PolarHBondContact O-N 2.96Å; D685-E687 WeakPolarHBondContact OD1-CA 3.27Å; D685-E687 WeakPolarHBondContact OD1-CB 3.36Å; D685-E687 PolarHBondContact OD1-N 2.76Å; E687-E690 WeakPolarHBondContact O-CB 3.32Å; E687-E690 PolarHBondContact O-N 3.25Å; E687-A691 PolarHBondContact O-N 3.25Å
688	R	91.2	Very high	87.8	Confident	11 Å²	11	66.5 Å²	66.5	4%	0.042	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-40.3	174.6	-165.1	172.1	-170.2	-91.8	10.5	112.5	H540 E544 F562 D685 M686 E690 A691 E692	H540-R688 VanDerWaalsContact CD2-CZ 3.45Å; H540-R688 PolarHBondContact CD2-NH2 3.38Å; H540-R688 VanDerWaalsContact NE2-CZ 3.32Å; H540-R688 PolarHBondContact NE2-NH1 2.82Å; H540-R688 PolarHBondContact NE2-NH2 3.35Å; H540-R688 PolarHBondContact O-NH2 3.3Å; E544-R688 IonicContact OE1-CZ 3.31Å; E544-R688 IonicContact OE1-NH1 3.4Å; E544-R688 PolarHBondContact OE1-NH1 3.1Å; E544-R688 IonicContact OE1-NH2 2.77Å; E544-R688 PolarHBondContact OE1-NH2 3.01Å; F562-R688 VanDerWaalsContact CD2-CZ 3.5Å; F562-R688 VanDerWaalsContact CD2-NH1 3.32Å; F562-R688 VanDerWaalsContact CE2-NH2 3.33Å; F562-R688 VanDerWaalsContact CZ-NH2 3.31Å; D685-R688 HydrophobicContact CB-CB 3.98Å; D685-R688 PolarHBondContact O-N 3.04Å; D685-R688 PolarHBondContact OD1-N 3.37Å; M686-R688 VanDerWaalsContact C-N 3.3Å; R688-E690 VanDerWaalsContact C-N 3.31Å; R688-E690 PolarHBondContact O-N 2.96Å; R688-A691 WeakPolarHBondContact O-CB 3.48Å; R688-A691 PolarHBondContact O-N 3.31Å; R688-E692 IonicContact CZ-OE1 2.94Å; R688-E692 IonicContact NH1-OE1 2.77Å; R688-E692 PolarHBondContact NH1-OE1 3.28Å; R688-E692 WeakPolarHBondContact O-CG 3.46Å; R688-E692 PolarHBondContact O-N 3.19Å
689	E	89.3	Confident	86.1	Confident	67 Å²	67	69.7 Å²	69.7	31%	0.313	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-36.8	173.7	-66.9	-163.8	148.9	0	0	112.1	R684 D685 M686 E692 S693	R684-E689 WeakPolarHBondContact CD-OE1 3.47Å; R684-E689 IonicContact CZ-OE1 3.98Å; R684-E689 IonicContact CZ-OE2 3.75Å; R684-E689 IonicContact NE-OE1 3.67Å; R684-E689 PolarHBondContact NE-OE1 3.36Å; R684-E689 IonicContact NE-OE2 3.33Å; R684-E689 PolarHBondContact NE-OE2 3.45Å; R684-E689 IonicContact NH2-OE1 2.8Å; R684-E689 IonicContact NH2-OE2 2.96Å; R684-E689 PolarHBondContact NH2-OE2 3.04Å; D685-E689 PolarHBondContact O-N 3.41Å; M686-E689 PolarHBondContact O-N 3.37Å; E689-E692 PolarHBondContact O-N 3.39Å; E689-S693 WeakPolarHBondContact O-CB 3.31Å; E689-S693 PolarHBondContact O-N 3.28Å; E689-S693 PolarHBondContact O-OG 2.85Å
690	E	92.1	Very high	83.6	Confident	87 Å²	87	74.5 Å²	74.5	41%	0.407	39%	0.394	S	S	.	.	H	α-helix	trans	-62.2	-44.3	173	-173.1	-177.3	146.4	0	0	110.8	L520 K524 M686 E687 R688 E692 S693 L694	L520-E690 HydrophobicContact CD1-CB 4Å; L520-E690 HydrophobicContact CD1-CG 3.81Å; L520-E690 HydrophobicContact CD2-CB 4.28Å; L520-E690 HydrophobicContact CD2-CG 4.33Å; K524-E690 WeakPolarHBondContact CE-OE1 3.34Å; K524-E690 IonicContact NZ-OE1 3.4Å; K524-E690 PolarHBondContact NZ-OE1 2.95Å; M686-E690 PolarHBondContact O-N 3Å; M686-E690 VanDerWaalsContact O-N 3.08Å; E687-E690 WeakPolarHBondContact O-CB 3.32Å; E687-E690 PolarHBondContact O-N 3.25Å; R688-E690 VanDerWaalsContact C-N 3.31Å; R688-E690 PolarHBondContact O-N 2.96Å; E690-E692 VanDerWaalsContact C-N 3.35Å; E690-E692 PolarHBondContact O-N 3.27Å; E690-S693 WeakPolarHBondContact O-CB 3.18Å; E690-S693 PolarHBondContact O-N 3.22Å; E690-L694 WeakPolarHBondContact O-CG 3.44Å; E690-L694 PolarHBondContact O-N 2.87Å
691	A	91.6	Very high	81	Confident	0 Å²	0	75 Å²	75	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-60.7	-43.4	178	0	0	0	0	0	112	V519 L520 V523 E687 R688 S693 L694 W695	V519-A691 HydrophobicContact CG1-CB 4.06Å; L520-A691 HydrophobicContact CB-CB 4.25Å; L520-A691 HydrophobicContact CD1-CB 4.06Å; V523-A691 HydrophobicContact CG2-CB 4.06Å; E687-A691 PolarHBondContact O-N 3.25Å; R688-A691 WeakPolarHBondContact O-CB 3.48Å; R688-A691 PolarHBondContact O-N 3.31Å; A691-S693 VanDerWaalsContact C-N 3.34Å; A691-S693 PolarHBondContact O-N 3.08Å; A691-L694 PolarHBondContact O-N 3.29Å; A691-W695 PolarHBondContact O-N 3.06Å
692	E	92.3	Very high	78.3	Confident	71 Å²	71	74.9 Å²	74.9	33%	0.332	42%	0.417	S	S	.	.	H	α-helix	trans	-64.4	-38.4	176.1	-70.9	169.7	-170.3	0	0	112.1	H540 R688 E689 E690 L694 W695 A696	H540-E692 IonicContact CD2-OE1 3.77Å; H540-E692 IonicContact CE1-OE1 3.7Å; H540-E692 WeakPolarHBondContact NE2-CG 3.36Å; H540-E692 IonicContact NE2-OE1 3.56Å; H540-E692 PolarHBondContact NE2-OE1 2.87Å; R688-E692 IonicContact CZ-OE1 2.94Å; R688-E692 IonicContact NH1-OE1 2.77Å; R688-E692 PolarHBondContact NH1-OE1 3.28Å; R688-E692 WeakPolarHBondContact O-CG 3.46Å; R688-E692 PolarHBondContact O-N 3.19Å; E689-E692 PolarHBondContact O-N 3.39Å; E690-E692 VanDerWaalsContact C-N 3.35Å; E690-E692 PolarHBondContact O-N 3.27Å; E692-L694 VanDerWaalsContact C-N 3.34Å; E692-L694 PolarHBondContact O-N 3.44Å; E692-W695 PolarHBondContact O-N 2.9Å; E692-A696 PolarHBondContact O-N 3.18Å
693	S	91	Very high	75.3	Confident	76 Å²	76	76.5 Å²	76.5	53%	0.531	43%	0.427	S	S	.	.	H	α-helix	trans	-65.5	-36.2	176.6	-60.3	0	0	0	0	112.5	E689 E690 A691 A696 A697	E689-S693 WeakPolarHBondContact O-CB 3.31Å; E689-S693 PolarHBondContact O-N 3.28Å; E689-S693 PolarHBondContact O-OG 2.85Å; E690-S693 WeakPolarHBondContact O-CB 3.18Å; E690-S693 PolarHBondContact O-N 3.22Å; A691-S693 VanDerWaalsContact C-N 3.34Å; A691-S693 PolarHBondContact O-N 3.08Å; S693-A696 PolarHBondContact O-N 2.91Å; S693-A697 WeakPolarHBondContact O-CB 3.39Å; S693-A697 PolarHBondContact O-N 3.48Å
694	L	89.1	Confident	72.6	Confident	42 Å²	42	84 Å²	84	22%	0.22	46%	0.458	C	S	.	.	H	α-helix	trans	-62.6	-42.8	175.4	-70.3	171.9	0	0	0	111.5	L520 V523 K524 E690 A691 E692 A697 D698	L520-L694 HydrophobicContact CD1-CD1 3.88Å; V523-L694 HydrophobicContact CG1-CB 4.08Å; V523-L694 HydrophobicContact CG1-CD1 3.95Å; K524-L694 HydrophobicContact CG-CD1 4.37Å; E690-L694 WeakPolarHBondContact O-CG 3.44Å; E690-L694 PolarHBondContact O-N 2.87Å; A691-L694 PolarHBondContact O-N 3.29Å; E692-L694 VanDerWaalsContact C-N 3.34Å; E692-L694 PolarHBondContact O-N 3.44Å; L694-A697 PolarHBondContact O-N 3.48Å; L694-D698 PolarHBondContact O-N 3.06Å
695	W	85.1	Confident	69.6	Low	50 Å²	50	84.2 Å²	84.2	19%	0.189	48%	0.481	C	S	.	.	H	α-helix	trans	-67.6	-36	174.5	-70.6	-39.3	0	0	0	113.4	V519 V523 K537 H540 A691 E692 A697 D698 G699	V519-W695 HydrophobicContact CG1-CH2 4.4Å; V523-W695 HydrophobicContact CB-CZ2 4.48Å; V523-W695 HydrophobicContact CG2-CD2 4.42Å; V523-W695 HydrophobicContact CG2-CH2 3.64Å; V523-W695 HydrophobicContact CG2-CZ2 3.19Å; V523-W695 HydrophobicContact CG2-CZ3 4.43Å; K537-W695 HydrophobicContact CB-CZ2 4.13Å; K537-W695 HydrophobicContact CG-CZ2 4.46Å; H540-W695 HydrophobicContact CB-CH2 3.44Å; H540-W695 VanDerWaalsContact CB-CH2 3.44Å; H540-W695 HydrophobicContact CB-CZ3 3.71Å; H540-W695 AromaticContact CD2-CZ3 3.7Å; H540-W695 AromaticContact CG-CH2 3.85Å; H540-W695 AromaticContact CG-CZ3 3.54Å; H540-W695 AromaticContact ND1-CZ3 4Å; A691-W695 PolarHBondContact O-N 3.06Å; E692-W695 PolarHBondContact O-N 2.9Å; W695-A697 VanDerWaalsContact C-N 3.32Å; W695-D698 PolarHBondContact O-N 3.4Å; W695-G699 PolarHBondContact O-N 2.69Å; W695-G699 VanDerWaalsContact O-N 3.14Å
696	A	81.7	Confident	66.2	Low	63 Å²	63	87.2 Å²	87.2	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-65.7	-36.4	175.4	0	0	0	0	0	112.1	E692 S693 G699	E692-A696 PolarHBondContact O-N 3.18Å; S693-A696 PolarHBondContact O-N 2.91Å; A696-G699 PolarHBondContact O-N 2.95Å
697	A	73.3	Confident	63.3	Low	63 Å²	63	91 Å²	91	52%	0.521	53%	0.532	S	S	.	.	H	α-helix	trans	-69.8	-41.2	175.8	0	0	0	0	0	112.4	S693 L694 W695 G699 Q700	S693-A697 WeakPolarHBondContact O-CB 3.39Å; S693-A697 PolarHBondContact O-N 3.48Å; L694-A697 PolarHBondContact O-N 3.48Å; W695-A697 VanDerWaalsContact C-N 3.32Å; A697-G699 PolarHBondContact O-N 2.98Å; A697-Q700 PolarHBondContact O-N 3.33Å; A697-Q700 VanDerWaalsContact O-N 3.1Å
698	D	63.4	Low	60.2	Low	90 Å²	90	93.8 Å²	93.8	48%	0.481	56%	0.555	S	S	.	*	H	α-helix	trans	-63.6	-24.5	173.8	-82.1	-13.4	0	0	0	112.2	Q527 L694 W695	Q527-D698 PolarHBondContact NE2-OD2 3.35Å; L694-D698 PolarHBondContact O-N 3.06Å; W695-D698 PolarHBondContact O-N 3.4Å
699	G	56.3	Low	57.2	Low	67 Å²	67	102.5 Å²	102.5	69%	0.691	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-3.9	173.4	0	0	0	0	0	116	W695 A696 A697	W695-G699 PolarHBondContact O-N 2.69Å; W695-G699 VanDerWaalsContact O-N 3.14Å; A696-G699 PolarHBondContact O-N 2.95Å; A697-G699 PolarHBondContact O-N 2.98Å
700	Q	36.1	Very low	54.2	Low	179 Å²	179	107.8 Å²	107.8	84%	0.836	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	13.4	-177.5	-94.1	-175	13.8	0	0	115.3	A697	A697-Q700 PolarHBondContact O-N 3.33Å; A697-Q700 VanDerWaalsContact O-N 3.1Å
701	S	33.9	Very low	51	Low	94 Å²	94	112.8 Å²	112.8	66%	0.657	64%	0.641	S	S	*	*			trans	-100.3	80.5	167.7	70.6	0	0	0	0	111.5
702	V	31.7	Very low	47.9	Very low	128 Å²	128	116.5 Å²	116.5	78%	0.776	68%	0.68	S	S	*	*	S	Bend	trans	176.6	129.2	145.7	156.5	0	0	0	0	108.9
703	M	26.8	Very low	44.7	Very low	167 Å²	167	124.9 Å²	124.9	82%	0.823	71%	0.708	S	S	*	*			trans	107.6	68.7	174.4	-61.9	-91.4	136.6	0	0	116.1
704	K	33.7	Very low	41.6	Very low	225 Å²	225	129.4 Å²	129.4	98%	0.978	73%	0.726	S	S	*	*			trans	-84.2	110.4	136.3	-105.6	-174.5	177.9	178.1	0	107.4
705	G	27.5	Very low	38.6	Very low	69 Å²	69	130.6 Å²	130.6	71%	0.711	75%	0.748	S	S	*	*			trans	156	107.1	167.4	0	0	0	0	0	113.1
706	G	23.2	Very low	35.9	Very low	81 Å²	81	134.7 Å²	134.7	84%	0.835	78%	0.779	S	S	*	*			trans	132.2	86.5	162.9	0	0	0	0	0	114.4
707	E	29.3	Very low	33.2	Very low	193 Å²	193	136.6 Å²	136.6	90%	0.902	80%	0.795	S	S	*	*			trans	-65	132.6	154.9	-69.8	178	138.8	0	0	109.6
708	V	26.4	Very low	30.8	Very low	147 Å²	147	138.1 Å²	138.1	89%	0.891	81%	0.808	S	S	*	*			trans	-151.2	140.3	135.1	-178	0	0	0	0	109.3
709	K	27.7	Very low	29.5	Very low	193 Å²	193	139.9 Å²	139.9	84%	0.839	82%	0.824	S	S	*	*			trans	-72.5	155.8	-176.9	-61.6	167.3	170.3	177.4	0	114.8
710	E	25.4	Very low	28.1	Very low	179 Å²	179	141 Å²	141	84%	0.836	83%	0.827	S	S	*	*				-172.6	108	127	-106.2	178.3	-178.5	0	0	108.6
711	E	25.1	Very low	27.7	Very low	192 Å²	192	143.8 Å²	143.8	90%	0.897	83%	0.829	S	S	*	*				75	115.3	101.3	-76.5	-157.4	173.1	0	0	116
712	G	26	Very low	27.3	Very low	78 Å²	78	145 Å²	145	80%	0.804	84%	0.838	S	S	*	*			trans	-174.3	64.4	179.8	0	0	0	0	0	114
713	R	26.1	Very low	27	Very low	247 Å²	247	142.2 Å²	142.2	93%	0.932	84%	0.836	S	S	*	*			trans	52.3	106.6	146.2	-114.6	168.9	-179.6	164.3	-0.5	121.5
714	D	26.2	Very low	27	Very low	171 Å²	171	146 Å²	146	91%	0.914	84%	0.841	S	S	*	*			trans	10.3	134.3	136.7	-105.5	-24.3	0	0	0	121.3
715	G	26.6	Very low	26.6	Very low	66 Å²	66	140.8 Å²	140.8	68%	0.68	83%	0.833	S	S	*	*			trans	-179.9	49.6	170.6	0	0	0	0	0	116.7
716	T	26.9	Very low	26.5	Very low	137 Å²	137	141.3 Å²	141.3	84%	0.84	84%	0.838	S	S	*	*			trans	60.3	112.8	147.8	45	0	0	0	0	122.5
717	A	24.8	Very low	26.5	Very low	103 Å²	103	142.7 Å²	142.7	85%	0.851	84%	0.835	S	S	*	*				86.1	115.6	122.9	0	0	0	0	0	121.4
718	A	23.5	Very low	26.4	Very low	95 Å²	95	142.7 Å²	142.7	79%	0.785	84%	0.835	S	S	*	*			trans	-73.5	-171.3	174.3	0	0	0	0	0	112.8
719	P	36.1	Very low	26.4	Very low	126 Å²	126	141.4 Å²	141.4	82%	0.818	83%	0.832	S	S	*	*			cis	-143.3	170.4	10.8	37.4	-14.4	0	0	0	119.4
720	A	27.9	Very low	26.3	Very low	91 Å²	91	137.4 Å²	137.4	75%	0.752	83%	0.829	S	S	*	*			trans	-53.2	163.3	169.5	0	0	0	0	0	117.1
721	R	26.2	Very low	26.3	Very low	237 Å²	237	140.6 Å²	140.6	89%	0.894	83%	0.833	S	S	*	*			trans	-169.2	106.6	139.1	-102.3	170.2	-177.4	-165	0.8	108.4
722	S	25.8	Very low	26.4	Very low	119 Å²	119	137.1 Å²	137.1	83%	0.832	83%	0.83	S	S	*	*				78.3	122.8	82.1	89.7	0	0	0	0	115.8
723	G	25.1	Very low	26.4	Very low	71 Å²	71	145.1 Å²	145.1	73%	0.732	84%	0.836	S	S	*	*			trans	158.7	91.9	166.5	0	0	0	0	0	109.5
724	R	26.6	Very low	26.4	Very low	245 Å²	245	137.2 Å²	137.2	93%	0.925	83%	0.831	S	S	*	*				36.8	132.4	90.5	-86.4	-175.5	168.9	175	-3.6	112.1
725	S	26	Very low	26.4	Very low	116 Å²	116	141 Å²	141	81%	0.811	83%	0.833	S	S	*	*			cis	176.8	143.9	3	42.6	0	0	0	0	104.4
726	G	25.6	Very low	26.3	Very low	80 Å²	80	141.2 Å²	141.2	83%	0.825	84%	0.835	S	S	*	*			trans	178.4	117.1	172	0	0	0	0	0	113.8
727	S	23.8	Very low	26.1	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	84%	0.836	S	S	*	*			trans	-74.1	145.7	-172.4	48.7	0	0	0	0	115.7
728	Q	27.2	Very low	26	Very low	193 Å²	193	147.1 Å²	147.1	90%	0.902	84%	0.835	S	S	*	*			trans	31.2	118.9	143.2	-68.5	-179.3	-20.3	0	0	119.9
729	S	25.3	Very low	26.1	Very low	120 Å²	120	148.2 Å²	148.2	84%	0.839	83%	0.832	S	S	*	*				-154	142.2	121.8	90.7	0	0	0	0	111.4
730	S	26.3	Very low	25.5	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	82%	0.824	S	S	*	*			trans	-70.6	137.4	-179.8	43.6	0	0	0	0	112
731	R	25.3	Very low	25.4	Very low	247 Å²	247	143.9 Å²	143.9	93%	0.932	82%	0.82	S	S	*	*			trans	-159.3	111.9	149.2	-111.3	166.5	-178.8	-172.8	-0.4	110.5	R733	R731-R733 PolarHBondContact O-N 3.26Å
732	S	27.8	Very low	25.5	Very low	119 Å²	119	141.8 Å²	141.8	83%	0.832	82%	0.817	S	S	*	*			trans	-60.1	125.1	171	58.4	0	0	0	0	110.6
733	R	25.7	Very low	25.6	Very low	246 Å²	246	143 Å²	143	93%	0.928	81%	0.814	S	S	*	*			trans	-122.2	99.4	154.6	-93	-177.1	164.4	176.1	-5	107.1	R731 R735	R731-R733 PolarHBondContact O-N 3.26Å; R733-R735 PolarHBondContact O-N 3.15Å
734	G	25.5	Very low	26.1	Very low	81 Å²	81	143.8 Å²	143.8	84%	0.835	80%	0.799	S	S	*	*			trans	-60.4	115.1	165.1	0	0	0	0	0	108.4	G736	G734-G736 PolarHBondContact O-N 3.24Å
735	R	25.6	Very low	26.4	Very low	249 Å²	249	134.4 Å²	134.4	94%	0.94	77%	0.766	S	S	*	*			trans	-75.2	110.2	162.8	-114.2	176.2	175	169.9	-2.8	106.1	R733 R737	R733-R735 PolarHBondContact O-N 3.15Å; R735-R737 PolarHBondContact O-N 3.21Å
736	G	24.8	Very low	26.4	Very low	71 Å²	71	135.3 Å²	135.3	73%	0.732	76%	0.764	S	S	*	*			trans	-53	122.3	170.7	0	0	0	0	0	109.5	G734 V738	G734-G736 PolarHBondContact O-N 3.24Å; G736-V738 PolarHBondContact O-N 2.9Å; G736-V738 VanDerWaalsContact O-N 3.15Å
737	R	23.2	Very low	26.4	Very low	227 Å²	227	138.2 Å²	138.2	86%	0.857	76%	0.761	S	S	*	*			trans	-64.6	103.9	169.9	-168.2	177	-172.6	171.1	1.2	106.6	R735 T739	R735-R737 PolarHBondContact O-N 3.21Å; R737-T739 VanDerWaalsContact C-N 3.35Å; R737-T739 PolarHBondContact O-N 2.77Å
738	V	23.1	Very low	26.6	Very low	138 Å²	138	139.8 Å²	139.8	84%	0.836	76%	0.761	S	S	*	*			trans	-63.4	103.9	165.1	177.9	0	0	0	0	105.3	G736 G740	G736-V738 PolarHBondContact O-N 2.9Å; G736-V738 VanDerWaalsContact O-N 3.15Å; V738-G740 PolarHBondContact O-N 3.42Å
739	T	24.5	Very low	26.5	Very low	117 Å²	117	136.6 Å²	136.6	72%	0.718	75%	0.752	S	S	*	*			trans	-77.8	103.5	169	37.1	0	0	0	0	105.1	R737 G741	R737-T739 VanDerWaalsContact C-N 3.35Å; R737-T739 PolarHBondContact O-N 2.77Å; T739-G741 PolarHBondContact O-N 3.14Å
740	G	24.9	Very low	26.6	Very low	63 Å²	63	137.7 Å²	137.7	65%	0.649	75%	0.747	S	S	*	*			trans	-54.1	128.1	169.8	0	0	0	0	0	108.6	V738 K742	V738-G740 PolarHBondContact O-N 3.42Å; G740-K742 PolarHBondContact O-N 2.97Å
741	G	25.6	Very low	26.6	Very low	64 Å²	64	139.6 Å²	139.6	66%	0.66	75%	0.746	S	S	*	*			trans	-52.1	133.8	168.3	0	0	0	0	0	108.5	T739 D743	T739-G741 PolarHBondContact O-N 3.14Å; G741-D743 PolarHBondContact O-N 3.35Å; G741-D743 VanDerWaalsContact O-N 3.15Å
742	K	26.9	Very low	26.7	Very low	192 Å²	192	131.9 Å²	131.9	84%	0.835	73%	0.733	S	S	*	*			trans	-69.4	108.4	170.7	-75.8	178.1	169.9	-175.6	0	106.8	G740	G740-K742 PolarHBondContact O-N 2.97Å
743	D	28.3	Very low	26.7	Very low	145 Å²	145	132.9 Å²	132.9	78%	0.775	73%	0.725	S	S	*	*			trans	-61	130.9	168.3	-65.3	-36.5	0	0	0	108.8	F608 G741	F608-D743 HydrophobicContact CE1-CB 4.38Å; G741-D743 PolarHBondContact O-N 3.35Å; G741-D743 VanDerWaalsContact O-N 3.15Å
744	E	37.2	Very low	26.7	Very low	87 Å²	87	123.5 Å²	123.5	41%	0.407	71%	0.708	S	S	.	*			trans	-99	134.2	-171.9	-53.7	-164.2	141.6	0	0	110.7	R502 F608	R502-E744 IonicContact CZ-OE1 3.89Å; R502-E744 IonicContact NE-OE1 3.42Å; R502-E744 PolarHBondContact NE-OE1 3.2Å; R502-E744 IonicContact NH2-OE1 2.77Å; R502-E744 PolarHBondContact NH2-OE1 3.44Å; R502-E744 IonicContact NH2-OE2 2.76Å; F608-E744 VanDerWaalsContact CZ-O 3.25Å; F608-E744 WeakPolarHBondContact CZ-O 3.07Å
745	L	31.4	Very low	26.8	Very low	48 Å²	48	127.4 Å²	127.4	25%	0.251	70%	0.696	S	S	.	*			trans	-73.1	0	171.6	-67.3	166	0	0	0	113.3	L188 Y501 Y564	L188-L745 WeakPolarHBondContact CD1-O 3.31Å; Y501-L745 HydrophobicContact CE1-CB 4.19Å; Y501-L745 WeakPolarHBondContact CE1-O 3.47Å; Y501-L745 HydrophobicContact CE2-CB 4.36Å; Y501-L745 PolarHBondContact OH-OXT 3.29Å; Y564-L745 HydrophobicContact CD1-CD1 4.33Å; Y564-L745 HydrophobicContact CD1-CD2 3.62Å; Y564-L745 HydrophobicContact CD1-CG 4.46Å; Y564-L745 HydrophobicContact CE1-CD1 3.37Å; Y564-L745 HydrophobicContact CE1-CD2 3.54Å; Y564-L745 HydrophobicContact CE1-CG 3.91Å

Retrieved 745 of 745 residues in 3415.1 ms (Link to these results)

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