A0A087XLE2_POEFO Loading...

ATP binding cassette subfamily D member 2

AlphaFold DB , UniProt , Accession A0A087XLE2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 761 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.1	Very low	42.7	Very low	218 Å²	218	126.8 Å²	126.8	100%	1.074	71%	0.709	S	S	*	*				0	-5.1	0	-106.4	-178.8	-158.7	0	0	114.3
2	S	40.7	Very low	43.3	Very low	90 Å²	90	133.4 Å²	133.4	63%	0.629	72%	0.724	S	S	*	*			trans	-86.3	-29.6	176.1	55.3	0	0	0	0	114.2	I4	S2-I4 VanDerWaalsContact C-N 3.31Å; S2-I4 PolarHBondContact O-N 2.68Å
3	N	42.3	Very low	43.4	Very low	140 Å²	140	140.7 Å²	140.7	75%	0.749	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-6.5	-175.2	-66.6	-5	0	0	0	115.1
4	I	42.9	Very low	44.3	Very low	140 Å²	140	138.1 Å²	138.1	72%	0.718	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-28	177.5	-65.8	172.2	0	0	0	110.9	S2	S2-I4 VanDerWaalsContact C-N 3.31Å; S2-I4 PolarHBondContact O-N 2.68Å
5	L	45.8	Very low	45.3	Very low	136 Å²	136	143.9 Å²	143.9	71%	0.712	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-27	176.8	-81.9	157	0	0	0	112.3	A8	L5-A8 PolarHBondContact O-N 2.81Å
6	D	40.1	Very low	46.3	Very low	109 Å²	109	140.3 Å²	140.3	58%	0.583	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-18.1	-180	-147	31.5	0	0	0	113.4	S9	D6-S9 PolarHBondContact O-OG 3.29Å
7	A	42.4	Very low	47	Very low	72 Å²	72	136.5 Å²	136.5	60%	0.595	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-22	173.2	0	0	0	0	0	113
8	A	41.7	Very low	47.7	Very low	77 Å²	77	131.1 Å²	131.1	64%	0.636	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-81	-16.6	-179.2	0	0	0	0	0	113.5	L5	L5-A8 PolarHBondContact O-N 2.81Å
9	S	41.3	Very low	48.6	Very low	85 Å²	85	127 Å²	127	59%	0.594	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-84.6	-7.3	-177.7	66.1	0	0	0	0	114.2	D6	D6-S9 PolarHBondContact O-OG 3.29Å
10	R	43.6	Very low	49.4	Very low	211 Å²	211	128.7 Å²	128.7	80%	0.796	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-112.4	26.3	-176.5	-62.8	-167.2	-162.9	-163.6	5.1	115.4
11	V	43	Very low	50.3	Low	117 Å²	117	131.6 Å²	131.6	71%	0.709	67%	0.673	S	S	*	*			trans	-103.5	99.2	170.7	-176.8	0	0	0	0	108.8	W13	V11-W13 PolarHBondContact O-N 3.44Å; V11-W13 VanDerWaalsContact O-N 3.14Å
12	K	49.3	Very low	51.4	Low	206 Å²	206	123.9 Å²	123.9	90%	0.896	64%	0.644	S	S	*	*			trans	-61	115.2	168.4	-94.4	-178.8	175.3	177.7	0	108.5	D14	K12-D14 PolarHBondContact O-N 3.32Å
13	W	45.7	Very low	53	Low	228 Å²	228	124.4 Å²	124.4	86%	0.864	64%	0.643	S	S	*	*			trans	-73.5	104.9	-178.2	-149.2	-46.7	0	0	0	109.8	V11 R15	V11-W13 PolarHBondContact O-N 3.44Å; V11-W13 VanDerWaalsContact O-N 3.14Å; W13-R15 PolarHBondContact O-N 3.48Å
14	D	56.1	Low	54.4	Low	104 Å²	104	125.7 Å²	125.7	56%	0.556	64%	0.642	S	S	*	*			trans	-83	115.9	-179.8	-143	-11.6	0	0	0	109.9	K12 T16 T17 A18	K12-D14 PolarHBondContact O-N 3.32Å; D14-T16 PolarHBondContact O-N 2.89Å; D14-T17 PolarHBondContact O-N 3.48Å; D14-T17 PolarHBondContact O-OG1 2.95Å; D14-T17 VanDerWaalsContact O-OG1 3.05Å; D14-A18 PolarHBondContact O-N 2.86Å
15	R	58.6	Low	55.7	Low	225 Å²	225	125 Å²	125	85%	0.849	64%	0.639	S	S	*	*	H	α-helix	trans	-58.8	-24.5	-172	-100.8	177.2	163.2	175.9	-4.9	113.2	W13 A19	W13-R15 PolarHBondContact O-N 3.48Å; R15-A19 WeakPolarHBondContact O-CB 3.23Å; R15-A19 PolarHBondContact O-N 3.3Å
16	T	62	Low	56.9	Low	86 Å²	86	121.4 Å²	121.4	53%	0.528	63%	0.629	S	S	.	*	H	α-helix	trans	-78	-33	-176.1	58.4	0	0	0	0	113.4	D14 K20	D14-T16 PolarHBondContact O-N 2.89Å; T16-K20 WeakPolarHBondContact O-CG 3.35Å; T16-K20 PolarHBondContact O-N 2.53Å
17	T	56.9	Low	58.3	Low	77 Å²	77	119.1 Å²	119.1	47%	0.472	63%	0.626	S	S	.	*	H	α-helix	trans	-80.5	-33.2	176.5	35.4	0	0	0	0	112.1	D14 K20 R21	D14-T17 PolarHBondContact O-N 3.48Å; D14-T17 PolarHBondContact O-OG1 2.95Å; D14-T17 VanDerWaalsContact O-OG1 3.05Å; T17-K20 PolarHBondContact O-N 3.37Å; T17-R21 WeakPolarHBondContact O-CG 3.23Å; T17-R21 PolarHBondContact O-N 3.33Å; T17-R21 VanDerWaalsContact O-N 3.08Å
18	A	60.3	Low	59.6	Low	39 Å²	39	118.1 Å²	118.1	32%	0.322	62%	0.617	S	S	.	*	H	α-helix	trans	-63.6	-42.6	171.1	0	0	0	0	0	111.6	D14 R21 A22	D14-A18 PolarHBondContact O-N 2.86Å; A18-R21 PolarHBondContact O-N 3.17Å; A18-A22 VanDerWaalsContact O-CB 3.29Å; A18-A22 WeakPolarHBondContact O-CB 3.41Å; A18-A22 PolarHBondContact O-N 3.38Å
19	A	64.4	Low	60.9	Low	53 Å²	53	117.3 Å²	117.3	44%	0.438	61%	0.61	S	S	.	*	H	α-helix	trans	-63.7	-43.7	176.4	0	0	0	0	0	112.5	R15 R21 A22 V23	R15-A19 WeakPolarHBondContact O-CB 3.23Å; R15-A19 PolarHBondContact O-N 3.3Å; A19-R21 PolarHBondContact O-N 3.48Å; A19-A22 PolarHBondContact O-N 3.45Å; A19-V23 VanDerWaalsContact O-CG2 3.29Å; A19-V23 WeakPolarHBondContact O-CG2 3.31Å; A19-V23 PolarHBondContact O-N 2.94Å
20	K	65.9	Low	62.5	Low	160 Å²	160	120.9 Å²	120.9	70%	0.696	61%	0.612	S	S	*	*	H	α-helix	trans	-63.5	-39.9	176.7	-73.7	177.5	-179.4	-179.8	0	112.6	T16 T17 F24	T16-K20 WeakPolarHBondContact O-CG 3.35Å; T16-K20 PolarHBondContact O-N 2.53Å; T17-K20 PolarHBondContact O-N 3.37Å; K20-F24 WeakPolarHBondContact O-CB 3.19Å; K20-F24 PolarHBondContact O-N 2.91Å
21	R	68.1	Low	63.7	Low	191 Å²	191	112 Å²	112	72%	0.721	59%	0.587	S	S	*	*	H	α-helix	trans	-69.7	-36.7	175.4	-72.4	179.8	177.3	-178.7	0.1	112.3	T17 A18 A19 F24 L25	T17-R21 WeakPolarHBondContact O-CG 3.23Å; T17-R21 PolarHBondContact O-N 3.33Å; T17-R21 VanDerWaalsContact O-N 3.08Å; A18-R21 PolarHBondContact O-N 3.17Å; A19-R21 PolarHBondContact O-N 3.48Å; R21-F24 PolarHBondContact O-N 2.96Å; R21-L25 WeakPolarHBondContact O-CB 3.26Å; R21-L25 WeakPolarHBondContact O-CG 3.27Å; R21-L25 PolarHBondContact O-N 3.38Å
22	A	67.4	Low	65.1	Low	55 Å²	55	111.1 Å²	111.1	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-66.6	-40.4	174.8	0	0	0	0	0	112	A18 A19 L25 A26	A18-A22 VanDerWaalsContact O-CB 3.29Å; A18-A22 WeakPolarHBondContact O-CB 3.41Å; A18-A22 PolarHBondContact O-N 3.38Å; A19-A22 PolarHBondContact O-N 3.45Å; A22-L25 PolarHBondContact O-N 2.98Å; A22-A26 WeakPolarHBondContact O-CB 3.13Å; A22-A26 PolarHBondContact O-N 3.06Å
23	V	75.1	Confident	66	Low	102 Å²	102	109.1 Å²	109.1	62%	0.618	57%	0.572	S	S	*	*	H	α-helix	trans	-64.9	-40.6	174.1	172	0	0	0	0	111	A19 A26 A27	A19-V23 VanDerWaalsContact O-CG2 3.29Å; A19-V23 WeakPolarHBondContact O-CG2 3.31Å; A19-V23 PolarHBondContact O-N 2.94Å; V23-A26 PolarHBondContact O-N 2.9Å; V23-A27 VanDerWaalsContact O-CB 3.32Å; V23-A27 WeakPolarHBondContact O-CB 3.39Å; V23-A27 PolarHBondContact O-N 3.34Å
24	F	71.1	Confident	67.1	Low	166 Å²	166	101.4 Å²	101.4	73%	0.728	55%	0.551	S	S	*	*	H	α-helix	trans	-67.1	-41	176.9	-153	-88.1	0	0	0	112.2	K20 R21 A27 A28	K20-F24 WeakPolarHBondContact O-CB 3.19Å; K20-F24 PolarHBondContact O-N 2.91Å; R21-F24 PolarHBondContact O-N 2.96Å; F24-A27 PolarHBondContact O-N 2.87Å; F24-A28 VanDerWaalsContact O-CB 3.32Å; F24-A28 WeakPolarHBondContact O-CB 3.41Å; F24-A28 PolarHBondContact O-N 3.48Å
25	L	71.9	Confident	67.2	Low	126 Å²	126	100.4 Å²	100.4	66%	0.66	55%	0.545	S	S	*	.	H	α-helix	trans	-67.8	-36.7	174.3	-78.4	166.8	0	0	0	112.2	R21 A22 A29	R21-L25 WeakPolarHBondContact O-CB 3.26Å; R21-L25 WeakPolarHBondContact O-CG 3.27Å; R21-L25 PolarHBondContact O-N 3.38Å; A22-L25 PolarHBondContact O-N 2.98Å; L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3.1Å
26	A	71.3	Confident	67.5	Low	60 Å²	60	96.4 Å²	96.4	50%	0.496	53%	0.531	S	S	.	.	H	α-helix	trans	-68.8	-39.6	174.9	0	0	0	0	0	111.8	A22 V23 A29 Y30	A22-A26 WeakPolarHBondContact O-CB 3.13Å; A22-A26 PolarHBondContact O-N 3.06Å; V23-A26 PolarHBondContact O-N 2.9Å; A26-A29 PolarHBondContact O-N 3.07Å; A26-Y30 VanDerWaalsContact O-CB 3.25Å; A26-Y30 WeakPolarHBondContact O-CB 3.46Å; A26-Y30 PolarHBondContact O-N 2.81Å
27	A	69.3	Low	67.3	Low	62 Å²	62	95.6 Å²	95.6	51%	0.512	53%	0.527	S	S	.	.	H	α-helix	trans	-66.6	-41.2	174.2	0	0	0	0	0	111.8	V23 F24 Y30 G31	V23-A27 VanDerWaalsContact O-CB 3.32Å; V23-A27 WeakPolarHBondContact O-CB 3.39Å; V23-A27 PolarHBondContact O-N 3.34Å; F24-A27 PolarHBondContact O-N 2.87Å; A27-Y30 PolarHBondContact O-N 3.42Å; A27-G31 PolarHBondContact O-N 2.98Å
28	A	68.3	Low	67.8	Low	50 Å²	50	96.8 Å²	96.8	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-44	173.7	0	0	0	0	0	111.7	F24 G31 V32	F24-A28 VanDerWaalsContact O-CB 3.32Å; F24-A28 WeakPolarHBondContact O-CB 3.41Å; F24-A28 PolarHBondContact O-N 3.48Å; A28-G31 PolarHBondContact O-N 2.88Å; A28-V32 VanDerWaalsContact O-CG2 3.29Å; A28-V32 WeakPolarHBondContact O-CG2 3.34Å; A28-V32 PolarHBondContact O-N 3.02Å
29	A	70.4	Confident	67.6	Low	60 Å²	60	98.3 Å²	98.3	50%	0.496	53%	0.531	S	S	.	.	H	α-helix	trans	-66	-37	176.3	0	0	0	0	0	112.3	L25 A26 V32 K33	L25-A29 WeakPolarHBondContact O-CB 3.41Å; L25-A29 PolarHBondContact O-N 3.1Å; A26-A29 PolarHBondContact O-N 3.07Å; A29-V32 PolarHBondContact O-N 3.28Å; A29-K33 VanDerWaalsContact O-CB 3.27Å; A29-K33 WeakPolarHBondContact O-CB 3.4Å; A29-K33 PolarHBondContact O-N 3.4Å
30	Y	73.5	Confident	66.8	Low	161 Å²	161	102.7 Å²	102.7	63%	0.631	54%	0.537	S	S	*	.	H	α-helix	trans	-67.1	-42	174.5	-172.7	-95.7	0	0	0	111.6	A26 A27 K33 T34	A26-Y30 VanDerWaalsContact O-CB 3.25Å; A26-Y30 WeakPolarHBondContact O-CB 3.46Å; A26-Y30 PolarHBondContact O-N 2.81Å; A27-Y30 PolarHBondContact O-N 3.42Å; Y30-K33 PolarHBondContact O-N 3.26Å; Y30-T34 HydrophobicContact CE1-CG2 4.16Å; Y30-T34 PolarHBondContact O-N 2.92Å; Y30-T34 PolarHBondContact O-OG1 3.23Å
31	G	68.6	Low	66.3	Low	25 Å²	25	103.3 Å²	103.3	26%	0.258	54%	0.539	S	S	.	.	H	α-helix	trans	-61.6	-43	173.3	0	0	0	0	0	112.5	A27 A28 T34 L35	A27-G31 PolarHBondContact O-N 2.98Å; A28-G31 PolarHBondContact O-N 2.88Å; G31-T34 WeakPolarHBondContact CA-OG1 3.34Å; G31-T34 PolarHBondContact O-N 3.28Å; G31-T34 PolarHBondContact O-OG1 3.44Å; G31-L35 WeakPolarHBondContact O-CB 3.39Å; G31-L35 WeakPolarHBondContact O-CD1 3.31Å; G31-L35 WeakPolarHBondContact O-CG 3.38Å; G31-L35 PolarHBondContact O-N 2.79Å
32	V	73.6	Confident	65.5	Low	98 Å²	98	100.8 Å²	100.8	59%	0.594	54%	0.536	S	S	*	.	H	α-helix	trans	-64.6	-42.5	174	172.5	0	0	0	0	110.9	A28 A29 T34 L35 Y36	A28-V32 VanDerWaalsContact O-CG2 3.29Å; A28-V32 WeakPolarHBondContact O-CG2 3.34Å; A28-V32 PolarHBondContact O-N 3.02Å; A29-V32 PolarHBondContact O-N 3.28Å; V32-T34 VanDerWaalsContact C-N 3.35Å; V32-T34 PolarHBondContact O-N 3.43Å; V32-L35 PolarHBondContact O-N 2.81Å; V32-Y36 WeakPolarHBondContact O-CB 3.27Å; V32-Y36 PolarHBondContact O-N 2.81Å
33	K	68	Low	64.5	Low	163 Å²	163	104.6 Å²	104.6	71%	0.709	55%	0.548	S	S	*	.	H	α-helix	trans	-65.9	-33	178.9	-172.1	176.1	179.9	177.9	0	113.2	A29 Y30 P37	A29-K33 VanDerWaalsContact O-CB 3.27Å; A29-K33 WeakPolarHBondContact O-CB 3.4Å; A29-K33 PolarHBondContact O-N 3.4Å; Y30-K33 PolarHBondContact O-N 3.26Å; K33-P37 WeakPolarHBondContact O-CD 3.46Å
34	T	68	Low	62.9	Low	67 Å²	67	103.5 Å²	103.5	41%	0.411	54%	0.543	S	S	.	.	H	α-helix	trans	-79.8	-33.9	176.2	29.4	0	0	0	0	112.8	Y30 G31 V32 P37	Y30-T34 HydrophobicContact CE1-CG2 4.16Å; Y30-T34 PolarHBondContact O-N 2.92Å; Y30-T34 PolarHBondContact O-OG1 3.23Å; G31-T34 WeakPolarHBondContact CA-OG1 3.34Å; G31-T34 PolarHBondContact O-N 3.28Å; G31-T34 PolarHBondContact O-OG1 3.44Å; V32-T34 VanDerWaalsContact C-N 3.35Å; V32-T34 PolarHBondContact O-N 3.43Å; T34-P37 WeakPolarHBondContact O-CD 3.18Å
35	L	58.3	Low	61.5	Low	83 Å²	83	98.4 Å²	98.4	44%	0.435	54%	0.538	S	S	.	.	H	α-helix	trans	-81.7	-29.7	178	-77.5	158.2	0	0	0	113.4	G31 V32 I38 I39	G31-L35 WeakPolarHBondContact O-CB 3.39Å; G31-L35 WeakPolarHBondContact O-CD1 3.31Å; G31-L35 WeakPolarHBondContact O-CG 3.38Å; G31-L35 PolarHBondContact O-N 2.79Å; V32-L35 PolarHBondContact O-N 2.81Å; L35-I38 PolarHBondContact O-N 3.28Å; L35-I38 VanDerWaalsContact O-N 3.15Å; L35-I39 HydrophobicContact CB-CD1 4.04Å; L35-I39 VanDerWaalsContact O-CG1 3.31Å; L35-I39 WeakPolarHBondContact O-CG1 3.48Å; L35-I39 PolarHBondContact O-N 2.8Å
36	Y	65.5	Low	60	Low	140 Å²	140	99.9 Å²	99.9	55%	0.549	55%	0.547	S	S	.	.	H	α-helix	trans	-52.9	-48.1	-179.7	-179.1	-100.9	0	0	0	114.8	V32 I38 I39 W40	V32-Y36 WeakPolarHBondContact O-CB 3.27Å; V32-Y36 PolarHBondContact O-N 2.81Å; Y36-I38 VanDerWaalsContact C-N 3.27Å; Y36-I38 PolarHBondContact O-N 2.83Å; Y36-I39 PolarHBondContact O-N 2.8Å; Y36-W40 VanDerWaalsContact O-CB 3.31Å; Y36-W40 WeakPolarHBondContact O-CB 3.37Å; Y36-W40 PolarHBondContact O-N 2.9Å
37	P	57.9	Low	58.2	Low	70 Å²	70	106.8 Å²	106.8	46%	0.455	57%	0.565	S	S	.	*	H	α-helix	trans	-68.2	-24.3	179.8	24.2	-32.8	0	0	0	113.8	K33 T34 K41	K33-P37 WeakPolarHBondContact O-CD 3.46Å; T34-P37 WeakPolarHBondContact O-CD 3.18Å; P37-K41 WeakPolarHBondContact O-CB 3.4Å; P37-K41 PolarHBondContact O-N 3.05Å
38	I	66.3	Low	56.5	Low	101 Å²	101	113.9 Å²	113.9	52%	0.518	59%	0.585	S	S	.	*	H	α-helix	trans	-77.8	-41.7	176.6	-59.6	170.4	0	0	0	110	L35 Y36 Q42	L35-I38 PolarHBondContact O-N 3.28Å; L35-I38 VanDerWaalsContact O-N 3.15Å; Y36-I38 VanDerWaalsContact C-N 3.27Å; Y36-I38 PolarHBondContact O-N 2.83Å; I38-Q42 PolarHBondContact O-N 3.1Å
39	I	57.9	Low	54.7	Low	71 Å²	71	117.3 Å²	117.3	36%	0.364	60%	0.603	S	S	.	*	H	α-helix	trans	-67.7	-41.6	177	-66.3	166.1	0	0	0	110.7	L35 Y36 Q42 L43	L35-I39 HydrophobicContact CB-CD1 4.04Å; L35-I39 VanDerWaalsContact O-CG1 3.31Å; L35-I39 WeakPolarHBondContact O-CG1 3.48Å; L35-I39 PolarHBondContact O-N 2.8Å; Y36-I39 PolarHBondContact O-N 2.8Å; I39-Q42 PolarHBondContact O-N 2.81Å; I39-L43 HydrophobicContact CG2-CD1 3.72Å; I39-L43 PolarHBondContact O-N 2.79Å
40	W	47.1	Very low	53	Low	146 Å²	146	122 Å²	122	55%	0.553	62%	0.619	S	S	*	*	H	α-helix	trans	-65.3	-38.2	177	-170.8	-101.4	0	0	0	112.8	Y36 Q42 L43 C44	Y36-W40 VanDerWaalsContact O-CB 3.31Å; Y36-W40 WeakPolarHBondContact O-CB 3.37Å; Y36-W40 PolarHBondContact O-N 2.9Å; W40-Q42 VanDerWaalsContact C-N 3.31Å; W40-Q42 PolarHBondContact O-N 2.85Å; W40-L43 PolarHBondContact O-N 3.46Å; W40-C44 PolarHBondContact O-N 3.31Å
41	K	53.9	Low	50.9	Low	173 Å²	173	125.5 Å²	125.5	75%	0.752	63%	0.632	S	S	*	*	H	α-helix	trans	-64.8	-31.8	173.6	-93.8	-178.3	173.9	178.1	0	113.3	P37	P37-K41 WeakPolarHBondContact O-CB 3.4Å; P37-K41 PolarHBondContact O-N 3.05Å
42	Q	52.8	Low	49	Very low	137 Å²	137	130.6 Å²	130.6	64%	0.64	65%	0.653	S	S	*	*	H	α-helix	trans	-81	-28.8	176.4	-74.2	-171.1	0.7	0	0	113.2	I38 I39 W40	I38-Q42 PolarHBondContact O-N 3.1Å; I39-Q42 PolarHBondContact O-N 2.81Å; W40-Q42 VanDerWaalsContact C-N 3.31Å; W40-Q42 PolarHBondContact O-N 2.85Å
43	L	45.3	Very low	46.8	Very low	136 Å²	136	136.4 Å²	136.4	71%	0.712	66%	0.664	S	S	*	*	H	α-helix	trans	-81.5	-32.9	178.5	-85.1	155.2	0	0	0	113.7	I39 W40	I39-L43 HydrophobicContact CG2-CD1 3.72Å; I39-L43 PolarHBondContact O-N 2.79Å; W40-L43 PolarHBondContact O-N 3.46Å
44	C	41.7	Very low	44.7	Very low	78 Å²	78	140.1 Å²	140.1	53%	0.527	67%	0.674	S	S	.	*	S	Bend	trans	-95.3	0.4	-179.5	-72.6	0	0	0	0	114.5	W40 N46	W40-C44 PolarHBondContact O-N 3.31Å; C44-N46 VanDerWaalsContact C-N 3.27Å; C44-N46 PolarHBondContact O-N 2.95Å
45	G	42.1	Very low	42.6	Very low	60 Å²	60	141.8 Å²	141.8	62%	0.619	70%	0.695	S	S	*	*			trans	-81.2	52.1	-176.6	0	0	0	0	0	114.7
46	N	39.6	Very low	41	Very low	156 Å²	156	143.4 Å²	143.4	83%	0.834	71%	0.713	S	S	*	*			trans	-156.2	59.8	164.9	-145.1	19.7	0	0	0	114	C44	C44-N46 VanDerWaalsContact C-N 3.27Å; C44-N46 PolarHBondContact O-N 2.95Å
47	K	33.9	Very low	39.1	Very low	205 Å²	205	146.7 Å²	146.7	89%	0.891	73%	0.73	S	S	*	*			trans	-144.9	104.1	157.2	-85.4	-174.1	178.6	175.2	0	109.2
48	K	34.3	Very low	37.5	Very low	211 Å²	211	147.7 Å²	147.7	92%	0.917	74%	0.744	S	S	*	*			trans	-74.2	136.6	163.1	-83.2	-179.3	173.8	178.8	0	108.9
49	P	31.1	Very low	35.6	Very low	123 Å²	123	152 Å²	152	80%	0.799	76%	0.762	S	S	*	*			trans	-107.5	137.3	146.7	30.2	-17.5	0	0	0	110
50	N	34.3	Very low	34	Very low	157 Å²	157	156.6 Å²	156.6	84%	0.84	79%	0.787	S	S	*	*			trans	-82.7	128.8	174	-165.4	18.3	0	0	0	108.9
51	R	28.9	Very low	32.9	Very low	235 Å²	235	153 Å²	153	89%	0.887	80%	0.795	S	S	*	*			trans	-169.5	110.1	153.3	-119.1	176.4	163.1	-178.9	-5.7	113.8
52	D	27.9	Very low	31.7	Very low	133 Å²	133	150.6 Å²	150.6	71%	0.711	80%	0.801	S	S	*	*			trans	26.5	126	136.5	-73.8	-43.3	0	0	0	124.1
53	R	27.5	Very low	30.3	Very low	220 Å²	220	150.3 Å²	150.3	83%	0.83	81%	0.808	S	S	*	*				47.9	112.3	125.6	-76.1	178.4	163	-179	-2.1	120.3
54	R	24	Very low	29.4	Very low	241 Å²	241	150.7 Å²	150.7	91%	0.909	82%	0.821	S	S	*	*				153.5	145.3	105.7	-99.9	174.2	174.9	177.2	-1.9	112.1
55	A	24.7	Very low	28.6	Very low	102 Å²	102	151.5 Å²	151.5	84%	0.843	83%	0.828	S	S	*	*			trans	72.5	133.5	168.8	0	0	0	0	0	115.9
56	S	24.7	Very low	27.7	Very low	117 Å²	117	152.6 Å²	152.6	82%	0.818	84%	0.838	S	S	*	*			cis	-143.1	143.9	23.2	46.9	0	0	0	0	112.8
57	K	25.3	Very low	27	Very low	208 Å²	208	153.1 Å²	153.1	90%	0.904	83%	0.833	S	S	*	*			trans	-77	166.1	162.4	-99.3	177.5	169.6	-179.4	0	110.2
58	A	24.8	Very low	26.6	Very low	92 Å²	92	148.1 Å²	148.1	76%	0.76	83%	0.831	S	S	*	*			trans	90.1	122.9	178.1	0	0	0	0	0	112.3
59	E	25.3	Very low	26	Very low	190 Å²	190	144.4 Å²	144.4	89%	0.888	82%	0.816	S	S	*	*			cis	-161.5	166.3	21.4	-119.8	164.8	-170.3	0	0	110.6
60	N	24.6	Very low	25.8	Very low	168 Å²	168	145.5 Å²	145.5	90%	0.898	81%	0.814	S	S	*	*			trans	-71.4	150.9	-162.5	-70.3	-36.9	0	0	0	116
61	G	23.3	Very low	25.2	Very low	70 Å²	70	143.8 Å²	143.8	72%	0.722	81%	0.805	S	S	*	*			trans	-161.7	91.7	159.9	0	0	0	0	0	109.2	T63	G61-T63 PolarHBondContact O-N 3.03Å
62	S	29.1	Very low	25.1	Very low	123 Å²	123	138.3 Å²	138.3	86%	0.86	80%	0.797	S	S	*	*			trans	-59	122.6	178.4	41.7	0	0	0	0	111.4
63	T	24.1	Very low	24.9	Very low	131 Å²	131	136.3 Å²	136.3	80%	0.804	79%	0.79	S	S	*	*			trans	-149.9	108.8	159.1	-12.2	0	0	0	0	108.6	G61 S65	G61-T63 PolarHBondContact O-N 3.03Å; T63-S65 PolarHBondContact O-N 2.8Å
64	C	25.3	Very low	24.8	Very low	144 Å²	144	133.2 Å²	133.2	97%	0.973	79%	0.789	S	S	*	*			trans	-56.4	101.2	170.9	-78.5	0	0	0	0	109.7
65	S	25.6	Very low	24.9	Very low	96 Å²	96	128 Å²	128	67%	0.671	78%	0.78	S	S	*	*			trans	-105.9	94.5	166.9	-172.9	0	0	0	0	107.7	T63 K67	T63-S65 PolarHBondContact O-N 2.8Å; S65-K67 VanDerWaalsContact C-N 3.27Å; S65-K67 PolarHBondContact O-N 2.85Å
66	G	23.7	Very low	25	Very low	82 Å²	82	133 Å²	133	85%	0.845	78%	0.782	S	S	*	*			trans	-64.3	90.7	165.1	0	0	0	0	0	109	A68	G66-A68 PolarHBondContact O-N 3.03Å; G66-A68 VanDerWaalsContact O-N 3.1Å
67	K	24.8	Very low	25.8	Very low	167 Å²	167	135.7 Å²	135.7	73%	0.726	78%	0.779	S	S	*	*			trans	-70.2	97.7	168	-73.3	177.3	178.6	175.4	0	107.9	S65 Q69	S65-K67 VanDerWaalsContact C-N 3.27Å; S65-K67 PolarHBondContact O-N 2.85Å; K67-Q69 PolarHBondContact O-N 2.82Å
68	A	24.4	Very low	26.6	Very low	101 Å²	101	128.9 Å²	128.9	84%	0.835	76%	0.762	S	S	*	*			trans	-72.6	78.9	155.4	0	0	0	0	0	107.6	G66	G66-A68 PolarHBondContact O-N 3.03Å; G66-A68 VanDerWaalsContact O-N 3.1Å
69	Q	22.7	Very low	27.7	Very low	132 Å²	132	128.4 Å²	128.4	62%	0.617	75%	0.753	S	S	*	*			trans	-90.5	99.7	167.3	-166.8	168.3	-30.5	0	0	105.7	K67 D71	K67-Q69 PolarHBondContact O-N 2.82Å; Q69-D71 PolarHBondContact NE2-OD1 3.37Å; Q69-D71 PolarHBondContact O-N 3.01Å
70	I	26.2	Very low	29.1	Very low	146 Å²	146	122.4 Å²	122.4	75%	0.749	73%	0.731	S	S	*	*			trans	-71.7	87.6	170.8	-59.2	172.3	0	0	0	105.7	V72	I70-V72 VanDerWaalsContact C-N 3.35Å; I70-V72 HydrophobicContact CG2-CG2 4.14Å; I70-V72 PolarHBondContact O-N 3.07Å; I70-V72 VanDerWaalsContact O-N 3.12Å
71	D	21.6	Very low	30.9	Very low	122 Å²	122	115.3 Å²	115.3	65%	0.652	70%	0.698	S	S	*	*			trans	-72.7	98.1	163.9	-75.4	-24.6	0	0	0	106.4	Q69 V73	Q69-D71 PolarHBondContact NE2-OD1 3.37Å; Q69-D71 PolarHBondContact O-N 3.01Å; D71-V73 PolarHBondContact O-N 3.07Å
72	V	27.1	Very low	33.3	Very low	120 Å²	120	114.3 Å²	114.3	73%	0.727	68%	0.677	S	S	*	*			trans	-59.1	117.7	171.9	175.8	0	0	0	0	107.4	I70 D74	I70-V72 VanDerWaalsContact C-N 3.35Å; I70-V72 HydrophobicContact CG2-CG2 4.14Å; I70-V72 PolarHBondContact O-N 3.07Å; I70-V72 VanDerWaalsContact O-N 3.12Å; V72-D74 PolarHBondContact O-N 3.47Å; V72-D74 VanDerWaalsContact O-N 3.1Å
73	V	24.7	Very low	35.9	Very low	91 Å²	91	112 Å²	112	55%	0.552	66%	0.655	S	S	*	*			trans	-52.8	116.6	166.8	174.4	0	0	0	0	107.3	D71 D75	D71-V73 PolarHBondContact O-N 3.07Å; V73-D75 PolarHBondContact O-N 3.48Å
74	D	23.8	Very low	38.7	Very low	154 Å²	154	110 Å²	110	82%	0.824	65%	0.652	S	S	*	*			trans	-71.4	67.9	177.8	-146.8	5.2	0	0	0	108.4	V72 K76	V72-D74 PolarHBondContact O-N 3.47Å; V72-D74 VanDerWaalsContact O-N 3.1Å; D74-K76 PolarHBondContact O-N 3Å
75	D	26.1	Very low	41.5	Very low	133 Å²	133	108.6 Å²	108.6	71%	0.711	63%	0.631	S	S	*	*			trans	-70.8	120.3	166.1	-146.5	7.2	0	0	0	105.8	V73 K77	V73-D75 PolarHBondContact O-N 3.48Å; D75-K77 PolarHBondContact O-N 3.07Å
76	K	28.6	Very low	44.5	Very low	206 Å²	206	104.5 Å²	104.5	90%	0.896	60%	0.601	S	S	*	*			trans	-64.4	56.4	-170.5	-70.8	175.5	176	170	0	113.3	D74 A78	D74-K76 PolarHBondContact O-N 3Å; K76-A78 PolarHBondContact O-N 2.91Å
77	K	41.5	Very low	47.5	Very low	173 Å²	173	106.5 Å²	106.5	75%	0.752	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-79.7	118.4	162.3	-83.3	-176.5	175.1	-179.7	0	107.6	D75 S79	D75-K77 PolarHBondContact O-N 3.07Å; K77-S79 PolarHBondContact O-N 3.37Å
78	A	42	Very low	50.7	Low	66 Å²	66	104.9 Å²	104.9	55%	0.545	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-46.9	128	174.1	0	0	0	0	0	108.9	K76	K76-A78 PolarHBondContact O-N 2.91Å
79	S	48.3	Very low	53.9	Low	81 Å²	81	101 Å²	101	57%	0.566	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-48.6	132.7	175	56.5	0	0	0	0	109.1	K77 G81	K77-S79 PolarHBondContact O-N 3.37Å; S79-G81 PolarHBondContact O-N 3.4Å
80	P	54.1	Low	57.2	Low	64 Å²	64	97 Å²	97	42%	0.416	53%	0.526	S	S	.	.	S	Bend	trans	-54.9	113.7	-178.4	19.8	-30.4	0	0	0	108.6	A432	P80-A432 HydrophobicContact CB-CB 4.06Å
81	G	62.7	Low	60.2	Low	20 Å²	20	95.6 Å²	95.6	21%	0.206	52%	0.52	C	S	.	.			trans	-148.5	171.9	-175	0	0	0	0	0	109.1	S79 N83	S79-G81 PolarHBondContact O-N 3.4Å; G81-N83 PolarHBondContact O-N 3.27Å
82	V	74	Confident	63.5	Low	49 Å²	49	93.1 Å²	93.1	30%	0.297	50%	0.504	S	S	.	.	S	Bend	trans	-74.6	79.6	-179.2	-170	0	0	0	0	109.3	F86 F87 V424 A428	V82-F86 HydrophobicContact CG1-CD1 3.98Å; V82-F86 HydrophobicContact CG1-CE1 4.27Å; V82-F87 HydrophobicContact CG1-CE2 4.06Å; V82-F87 HydrophobicContact CG1-CZ 4.29Å; V82-V424 HydrophobicContact CG1-CG1 4.21Å; V82-V424 HydrophobicContact CG2-CG1 3.75Å; V82-A428 HydrophobicContact CG2-CB 4.41Å
83	N	81.9	Confident	66.5	Low	75 Å²	75	87.5 Å²	87.5	40%	0.401	47%	0.47	S	S	.	.	S	Bend	trans	-112.9	172.1	-179	-62.9	-28.7	0	0	0	110.5	G81 E85 F86 F87	G81-N83 PolarHBondContact O-N 3.27Å; N83-E85 PolarHBondContact O-N 2.93Å; N83-E85 VanDerWaalsContact O-N 3.14Å; N83-F86 WeakPolarHBondContact O-CB 3.4Å; N83-F86 PolarHBondContact O-N 2.94Å; N83-F87 WeakPolarHBondContact O-CD2 3.45Å; N83-F87 PolarHBondContact O-N 3.16Å
84	A	84	Confident	69.6	Low	88 Å²	88	84.1 Å²	84.1	73%	0.727	45%	0.454	S	S	*	.	H	α-helix	trans	-54.9	-32.6	173.8	0	0	0	0	0	112.6	F87 K88	A84-F87 PolarHBondContact O-N 3.01Å; A84-K88 PolarHBondContact O-N 2.87Å; A84-K88 VanDerWaalsContact O-N 3.15Å
85	E	84.9	Confident	72.7	Confident	115 Å²	115	83.6 Å²	83.6	54%	0.537	44%	0.444	S	S	.	.	H	α-helix	trans	-63.1	-40.3	174.9	-169.5	175.7	-173.9	0	0	112.7	N83 F87 K88 Q89	N83-E85 PolarHBondContact O-N 2.93Å; N83-E85 VanDerWaalsContact O-N 3.14Å; E85-F87 VanDerWaalsContact C-N 3.32Å; E85-F87 PolarHBondContact O-N 3.36Å; E85-K88 WeakPolarHBondContact O-CB 3.33Å; E85-K88 PolarHBondContact O-N 3.03Å; E85-K88 VanDerWaalsContact O-N 3.13Å; E85-Q89 HydrophobicContact CG-CG 4.37Å; E85-Q89 VanDerWaalsContact O-CG 3.26Å; E85-Q89 WeakPolarHBondContact O-CG 3.49Å; E85-Q89 PolarHBondContact O-N 3.11Å; E85-Q89 PolarHBondContact OE1-NE2 3.12Å
86	F	86.8	Confident	75.7	Confident	9 Å²	9	79.3 Å²	79.3	4%	0.039	42%	0.421	C	S	.	.	H	α-helix	trans	-58.9	-43.7	175.9	159.9	-105.5	0	0	0	111.6	V82 N83 K88 Q89 I90 V424 L427 A428 T431	V82-F86 HydrophobicContact CG1-CD1 3.98Å; V82-F86 HydrophobicContact CG1-CE1 4.27Å; N83-F86 WeakPolarHBondContact O-CB 3.4Å; N83-F86 PolarHBondContact O-N 2.94Å; F86-K88 VanDerWaalsContact C-N 3.31Å; F86-K88 PolarHBondContact O-N 3.29Å; F86-Q89 PolarHBondContact O-N 3.35Å; F86-I90 HydrophobicContact CE2-CD1 4.1Å; F86-I90 HydrophobicContact CZ-CD1 3.88Å; F86-I90 PolarHBondContact O-N 3.43Å; F86-V424 HydrophobicContact CE1-CG1 4.3Å; F86-V424 HydrophobicContact CZ-CG1 4.42Å; F86-L427 HydrophobicContact CE2-CG 4.27Å; F86-L427 HydrophobicContact CZ-CD2 4.28Å; F86-L427 HydrophobicContact CZ-CG 4.38Å; F86-A428 VanDerWaalsContact CD2-CA 3.48Å; F86-A428 HydrophobicContact CD2-CB 3.56Å; F86-A428 HydrophobicContact CE2-CB 3.84Å; F86-A428 HydrophobicContact CG-CB 4.04Å; F86-T431 HydrophobicContact CD2-CG2 4.08Å; F86-T431 HydrophobicContact CE2-CG2 4.19Å
87	F	88.3	Confident	78.5	Confident	124 Å²	124	69.8 Å²	69.8	54%	0.544	38%	0.38	S	S	.	.	H	α-helix	trans	-67	-32.6	177.5	-71.7	-76.7	0	0	0	112.7	V82 N83 A84 E85 I90 L91	V82-F87 HydrophobicContact CG1-CE2 4.06Å; V82-F87 HydrophobicContact CG1-CZ 4.29Å; N83-F87 WeakPolarHBondContact O-CD2 3.45Å; N83-F87 PolarHBondContact O-N 3.16Å; A84-F87 PolarHBondContact O-N 3.01Å; E85-F87 VanDerWaalsContact C-N 3.32Å; E85-F87 PolarHBondContact O-N 3.36Å; F87-I90 WeakPolarHBondContact O-CG2 3.26Å; F87-L91 VanDerWaalsContact O-CB 3.32Å; F87-L91 WeakPolarHBondContact O-CB 3.48Å; F87-L91 PolarHBondContact O-N 3.39Å
88	K	90.6	Very high	80.7	Confident	133 Å²	133	64.8 Å²	64.8	58%	0.578	36%	0.358	S	S	*	.	H	α-helix	trans	-67	-48.9	172.3	-175.7	-177.5	173.2	-174.8	0	111.1	A84 E85 F86 I90 L91 E92	A84-K88 PolarHBondContact O-N 2.87Å; A84-K88 VanDerWaalsContact O-N 3.15Å; E85-K88 WeakPolarHBondContact O-CB 3.33Å; E85-K88 PolarHBondContact O-N 3.03Å; E85-K88 VanDerWaalsContact O-N 3.13Å; F86-K88 VanDerWaalsContact C-N 3.31Å; F86-K88 PolarHBondContact O-N 3.29Å; K88-I90 PolarHBondContact O-N 3.06Å; K88-L91 PolarHBondContact O-N 3.06Å; K88-E92 WeakPolarHBondContact CE-OE1 3.33Å; K88-E92 PolarHBondContact O-N 3.41Å
89	Q	91.5	Very high	82.3	Confident	21 Å²	21	65.4 Å²	65.4	10%	0.098	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-44.6	-179.7	-68.5	173.1	-8.7	0	0	111.8	E85 F86 L91 E92 L93 T431 H435	E85-Q89 HydrophobicContact CG-CG 4.37Å; E85-Q89 VanDerWaalsContact O-CG 3.26Å; E85-Q89 WeakPolarHBondContact O-CG 3.49Å; E85-Q89 PolarHBondContact O-N 3.11Å; E85-Q89 PolarHBondContact OE1-NE2 3.12Å; F86-Q89 PolarHBondContact O-N 3.35Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 2.84Å; Q89-E92 PolarHBondContact O-N 2.96Å; Q89-L93 WeakPolarHBondContact O-CG 3.48Å; Q89-L93 PolarHBondContact O-N 3.49Å; Q89-T431 HydrophobicContact CB-CG2 3.78Å; Q89-H435 HydrophobicContact CB-CB 4.13Å; Q89-H435 HydrophobicContact CG-CB 4.2Å
90	I	91.7	Very high	83.9	Confident	46 Å²	46	71.1 Å²	71.1	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-68.1	-32.1	178.9	-154.9	168.5	0	0	0	112	F86 F87 K88 G94 L427 T431	F86-I90 HydrophobicContact CE2-CD1 4.1Å; F86-I90 HydrophobicContact CZ-CD1 3.88Å; F86-I90 PolarHBondContact O-N 3.43Å; F87-I90 WeakPolarHBondContact O-CG2 3.26Å; K88-I90 PolarHBondContact O-N 3.06Å; I90-G94 WeakPolarHBondContact O-CA 3.17Å; I90-G94 PolarHBondContact O-N 3.39Å; I90-L427 HydrophobicContact CD1-CD2 3.97Å; I90-T431 HydrophobicContact CB-CG2 4.11Å
91	L	90.5	Very high	84.8	Confident	117 Å²	117	75.9 Å²	75.9	61%	0.613	39%	0.387	S	S	*	.	H	α-helix	trans	-69.1	-39.8	175.5	-172.2	70	0	0	0	111.4	F87 K88 Q89 G94 K95	F87-L91 VanDerWaalsContact O-CB 3.32Å; F87-L91 WeakPolarHBondContact O-CB 3.48Å; F87-L91 PolarHBondContact O-N 3.39Å; K88-L91 PolarHBondContact O-N 3.06Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 2.84Å; L91-G94 PolarHBondContact O-N 3.22Å; L91-K95 PolarHBondContact O-N 3.48Å; L91-K95 VanDerWaalsContact O-N 3.12Å
92	E	89.6	Confident	85.5	Confident	70 Å²	70	81.4 Å²	81.4	33%	0.327	42%	0.416	S	S	.	.	H	α-helix	trans	-64.2	-47	174.3	-73.5	174.6	-171.3	0	0	111.5	K88 Q89 G94 K95 H435	K88-E92 WeakPolarHBondContact CE-OE1 3.33Å; K88-E92 PolarHBondContact O-N 3.41Å; Q89-E92 PolarHBondContact O-N 2.96Å; E92-G94 PolarHBondContact O-N 3.25Å; E92-K95 WeakPolarHBondContact O-CB 3.48Å; E92-K95 PolarHBondContact O-N 3.08Å; E92-K95 VanDerWaalsContact O-N 3.17Å; E92-H435 IonicContact OE2-CD2 3.35Å; E92-H435 IonicContact OE2-CE1 2.94Å; E92-H435 IonicContact OE2-NE2 4Å; E92-H435 PolarHBondContact OE2-NE2 3.32Å
93	L	92.1	Very high	86.1	Confident	2 Å²	2	80 Å²	80	1%	0.01	41%	0.409	C	S	.	.	H	α-helix	trans	-63	-33.3	172.1	-65.6	-179.5	0	0	0	112	Q89 K95 I96 L97 F219 T431 V434 H435 F438	Q89-L93 WeakPolarHBondContact O-CG 3.48Å; Q89-L93 PolarHBondContact O-N 3.49Å; L93-K95 VanDerWaalsContact C-N 3.27Å; L93-K95 PolarHBondContact O-N 3.41Å; L93-I96 HydrophobicContact CD2-CD1 4.19Å; L93-I96 WeakPolarHBondContact O-CB 3.12Å; L93-I96 PolarHBondContact O-N 2.95Å; L93-L97 WeakPolarHBondContact O-CG 3.41Å; L93-L97 PolarHBondContact O-N 2.95Å; L93-F219 HydrophobicContact CB-CZ 4.11Å; L93-F219 HydrophobicContact CD1-CE1 4.21Å; L93-F219 HydrophobicContact CD1-CE2 3.83Å; L93-F219 HydrophobicContact CD1-CZ 3.65Å; L93-T431 HydrophobicContact CD1-CG2 4.03Å; L93-V434 HydrophobicContact CD1-CB 4.33Å; L93-V434 HydrophobicContact CD1-CG1 4.09Å; L93-V434 HydrophobicContact CD2-CG1 4.09Å; L93-H435 HydrophobicContact CD1-CB 4.41Å; L93-F438 HydrophobicContact CD2-CD2 3.78Å; L93-F438 HydrophobicContact CD2-CE2 4.07Å
94	G	88.4	Confident	86.3	Confident	20 Å²	20	84.6 Å²	84.6	21%	0.206	43%	0.425	C	S	.	.	H	α-helix	trans	-60.2	-33.8	174.8	0	0	0	0	0	113.3	I90 L91 E92 I96 L97 F98	I90-G94 WeakPolarHBondContact O-CA 3.17Å; I90-G94 PolarHBondContact O-N 3.39Å; L91-G94 PolarHBondContact O-N 3.22Å; E92-G94 PolarHBondContact O-N 3.25Å; G94-I96 VanDerWaalsContact C-N 3.28Å; G94-I96 PolarHBondContact O-N 3.35Å; G94-L97 PolarHBondContact O-N 2.93Å; G94-F98 PolarHBondContact O-N 3.17Å
95	K	88.9	Confident	86.5	Confident	143 Å²	143	80.9 Å²	80.9	62%	0.622	39%	0.393	S	S	*	.	H	α-helix	trans	-65.4	-32.2	173.7	-65.3	173.8	-176	176.7	0	112.2	L91 E92 L93 F98	L91-K95 PolarHBondContact O-N 3.48Å; L91-K95 VanDerWaalsContact O-N 3.12Å; E92-K95 WeakPolarHBondContact O-CB 3.48Å; E92-K95 PolarHBondContact O-N 3.08Å; E92-K95 VanDerWaalsContact O-N 3.17Å; L93-K95 VanDerWaalsContact C-N 3.27Å; L93-K95 PolarHBondContact O-N 3.41Å; K95-F98 CarbonylContact O-C 3.59Å
96	I	88.6	Confident	86.7	Confident	43 Å²	43	78.2 Å²	78.2	22%	0.221	38%	0.382	C	S	.	.	H	α-helix	trans	-74.8	-39.2	176.2	-54.3	171.1	0	0	0	110.1	L93 G94 L181 H184 F438	L93-I96 HydrophobicContact CD2-CD1 4.19Å; L93-I96 WeakPolarHBondContact O-CB 3.12Å; L93-I96 PolarHBondContact O-N 2.95Å; G94-I96 VanDerWaalsContact C-N 3.28Å; G94-I96 PolarHBondContact O-N 3.35Å; I96-L181 HydrophobicContact CB-CD2 4.46Å; I96-L181 HydrophobicContact CG2-CD2 4.07Å; I96-H184 HydrophobicContact CG2-CB 4.07Å; I96-F438 HydrophobicContact CD1-CE2 4.48Å
97	L	87.4	Confident	86.9	Confident	7 Å²	7	79.9 Å²	79.9	4%	0.037	40%	0.402	C	S	.	.	H	α-helix	trans	-67.3	-38.2	176.8	-67.3	177.2	0	0	0	112.8	L93 G94 P99 F177 L181 F219	L93-L97 WeakPolarHBondContact O-CG 3.41Å; L93-L97 PolarHBondContact O-N 2.95Å; G94-L97 PolarHBondContact O-N 2.93Å; L97-P99 WeakPolarHBondContact O-CD 3.33Å; L97-F177 HydrophobicContact CB-CD1 4.47Å; L97-F177 HydrophobicContact CD2-CB 3.73Å; L97-F177 HydrophobicContact CD2-CD1 3.84Å; L97-F177 HydrophobicContact CD2-CG 3.88Å; L97-L181 HydrophobicContact CD2-CD1 3.81Å; L97-L181 HydrophobicContact CD2-CD2 4.23Å; L97-L181 HydrophobicContact CD2-CG 3.75Å; L97-F219 HydrophobicContact CD1-CE1 4.23Å
98	F	87.9	Confident	87.1	Confident	67 Å²	67	75.7 Å²	75.7	29%	0.294	39%	0.385	S	S	.	.			trans	-124.6	77.6	-178.4	-58.6	-78.9	0	0	0	111.4	G94 K95 R100 E105 L106 L109 F177	G94-F98 PolarHBondContact O-N 3.17Å; K95-F98 CarbonylContact O-C 3.59Å; F98-R100 VanDerWaalsContact C-N 3.31Å; F98-R100 PolarHBondContact O-N 2.93Å; F98-E105 HydrophobicContact CD1-CB 4.45Å; F98-E105 HydrophobicContact CE1-CB 4.18Å; F98-L106 HydrophobicContact CD1-CB 4.38Å; F98-L106 HydrophobicContact CE1-CB 4.47Å; F98-L106 HydrophobicContact CE1-CD1 4.45Å; F98-L109 HydrophobicContact CE1-CD2 4.27Å; F98-L109 HydrophobicContact CZ-CD2 3.98Å; F98-F177 HydrophobicContact CE1-CE1 4.12Å; F98-F177 HydrophobicContact CE1-CZ 4.49Å; F98-F177 HydrophobicContact CE2-CE1 4.22Å; F98-F177 HydrophobicContact CE2-CZ 4.24Å; F98-F177 AromaticContact CZ-CE1 3.63Å; F98-F177 HydrophobicContact CZ-CE1 3.63Å; F98-F177 AromaticContact CZ-CZ 3.67Å; F98-F177 HydrophobicContact CZ-CZ 3.67Å
99	P	76.8	Confident	87.1	Confident	80 Å²	80	70.7 Å²	70.7	52%	0.519	37%	0.365	S	S	.	.	S	Bend	trans	-72.8	-22.3	-175.6	27.8	-35.2	0	0	0	113.7	L97	L97-P99 WeakPolarHBondContact O-CD 3.33Å
100	R	81.8	Confident	87.2	Confident	200 Å²	200	72.8 Å²	72.8	76%	0.755	38%	0.381	S	S	*	.	S	Bend	trans	-138	151	179.6	-66.2	-175.1	-180	175.8	-0.6	110	F98 V102	F98-R100 VanDerWaalsContact C-N 3.31Å; F98-R100 PolarHBondContact O-N 2.93Å; R100-V102 PolarHBondContact O-N 3.08Å; R100-V102 VanDerWaalsContact O-N 3.15Å
101	L	71.7	Confident	87.3	Confident	164 Å²	164	75.4 Å²	75.4	86%	0.859	40%	0.395	S	S	*	.	S	Bend	trans	-64.1	-13.7	176.1	-66.7	173.1	0	0	0	113.8	L106	L101-L106 WeakPolarHBondContact O-CD2 3.5Å
102	V	77.3	Confident	87.4	Confident	136 Å²	136	69.8 Å²	69.8	82%	0.824	37%	0.365	S	S	*	.	S	Bend	trans	-128.3	95	172.4	-175.1	0	0	0	0	107.7	R100	R100-V102 PolarHBondContact O-N 3.08Å; R100-V102 VanDerWaalsContact O-N 3.15Å
103	S	86.6	Confident	87.6	Confident	20 Å²	20	67.8 Å²	67.8	14%	0.14	36%	0.359	C	S	.	.			trans	-129	159.2	177.9	84.1	0	0	0	0	110.7	E105 L106 G107	S103-E105 WeakPolarHBondContact CB-OE2 3.46Å; S103-E105 PolarHBondContact O-N 3.42Å; S103-E105 PolarHBondContact OG-OE2 3.25Å; S103-L106 PolarHBondContact O-N 3.37Å; S103-L106 PolarHBondContact OG-N 3.16Å; S103-G107 PolarHBondContact O-N 3.46Å; S103-G107 VanDerWaalsContact O-N 3.09Å
104	K	86.2	Confident	87.7	Confident	172 Å²	172	72.1 Å²	72.1	75%	0.748	39%	0.385	S	S	*	.	H	α-helix	trans	-60.3	-34.1	178.1	-68.7	-178.4	179.2	178.7	0	111	G107 L108	K104-G107 PolarHBondContact O-N 3.3Å; K104-L108 WeakPolarHBondContact O-CG 3.42Å; K104-L108 PolarHBondContact O-N 2.94Å
105	E	88.5	Confident	87.9	Confident	10 Å²	10	71.8 Å²	71.8	5%	0.047	38%	0.381	C	S	.	.	H	α-helix	trans	-68.3	-42.6	179.9	-56.3	75.3	-166.9	0	0	111	F98 S103 L108 L109 A176 F177 R180	F98-E105 HydrophobicContact CD1-CB 4.45Å; F98-E105 HydrophobicContact CE1-CB 4.18Å; S103-E105 WeakPolarHBondContact CB-OE2 3.46Å; S103-E105 PolarHBondContact O-N 3.42Å; S103-E105 PolarHBondContact OG-OE2 3.25Å; E105-L108 PolarHBondContact O-N 3.35Å; E105-L109 WeakPolarHBondContact O-CB 3.45Å; E105-L109 PolarHBondContact O-N 3.08Å; E105-A176 HydrophobicContact CG-CB 4.29Å; E105-F177 HydrophobicContact CB-CE1 4.31Å; E105-R180 IonicContact OE1-CZ 2.72Å; E105-R180 VanDerWaalsContact OE1-CZ 3.28Å; E105-R180 IonicContact OE1-NE 2.87Å; E105-R180 PolarHBondContact OE1-NE 3.08Å; E105-R180 IonicContact OE1-NH2 3.75Å; E105-R180 PolarHBondContact OE1-NH2 2.78Å; E105-R180 IonicContact OE2-NH2 3.01Å
106	L	89.8	Confident	88	Confident	58 Å²	58	65 Å²	65	30%	0.304	35%	0.351	S	S	.	.	H	α-helix	trans	-65.4	-39.4	173.7	-172.4	69.2	0	0	0	111.5	F98 L101 S103 L108 L109 C110	F98-L106 HydrophobicContact CD1-CB 4.38Å; F98-L106 HydrophobicContact CE1-CB 4.47Å; F98-L106 HydrophobicContact CE1-CD1 4.45Å; L101-L106 WeakPolarHBondContact O-CD2 3.5Å; S103-L106 PolarHBondContact O-N 3.37Å; S103-L106 PolarHBondContact OG-N 3.16Å; L106-L108 VanDerWaalsContact C-N 3.35Å; L106-L108 PolarHBondContact O-N 2.96Å; L106-L109 HydrophobicContact CD1-CD2 4.25Å; L106-L109 PolarHBondContact O-N 3.49Å; L106-C110 WeakPolarHBondContact O-CB 3.36Å; L106-C110 PolarHBondContact O-N 3.24Å; L106-C110 PolarHBondContact O-SG 3.46Å
107	G	90.8	Very high	88.1	Confident	45 Å²	45	66.5 Å²	66.5	46%	0.464	36%	0.359	S	S	.	.	H	α-helix	trans	-59	-43.8	173.8	0	0	0	0	0	112.8	S103 K104 C110 L111	S103-G107 PolarHBondContact O-N 3.46Å; S103-G107 VanDerWaalsContact O-N 3.09Å; K104-G107 PolarHBondContact O-N 3.3Å; G107-C110 PolarHBondContact O-N 3.2Å; G107-L111 WeakPolarHBondContact O-CB 3.44Å; G107-L111 PolarHBondContact O-N 2.94Å
108	L	91.6	Very high	88.3	Confident	35 Å²	35	68.7 Å²	68.7	18%	0.183	38%	0.375	C	S	.	.	H	α-helix	trans	-64.5	-41.3	174.2	-72.9	169.1	0	0	0	112.1	K104 E105 L106 L111 H112 K172 L173 A176	K104-L108 WeakPolarHBondContact O-CG 3.42Å; K104-L108 PolarHBondContact O-N 2.94Å; E105-L108 PolarHBondContact O-N 3.35Å; L106-L108 VanDerWaalsContact C-N 3.35Å; L106-L108 PolarHBondContact O-N 2.96Å; L108-L111 PolarHBondContact O-N 2.88Å; L108-H112 WeakPolarHBondContact O-CB 3.47Å; L108-H112 PolarHBondContact O-N 3.36Å; L108-K172 HydrophobicContact CD1-CG 4.39Å; L108-K172 HydrophobicContact CD2-CD 4.2Å; L108-K172 HydrophobicContact CD2-CG 4.34Å; L108-L173 HydrophobicContact CB-CD1 4.21Å; L108-A176 HydrophobicContact CD1-CB 4.19Å
109	L	92.1	Very high	88.4	Confident	29 Å²	29	68.1 Å²	68.1	15%	0.152	37%	0.371	C	S	.	.	H	α-helix	trans	-62.9	-44.1	176.3	-172.9	71.3	0	0	0	111.7	F98 E105 L106 H112 S113 L173 Y227	F98-L109 HydrophobicContact CE1-CD2 4.27Å; F98-L109 HydrophobicContact CZ-CD2 3.98Å; E105-L109 WeakPolarHBondContact O-CB 3.45Å; E105-L109 PolarHBondContact O-N 3.08Å; L106-L109 HydrophobicContact CD1-CD2 4.25Å; L106-L109 PolarHBondContact O-N 3.49Å; L109-H112 PolarHBondContact O-N 3.23Å; L109-S113 WeakPolarHBondContact O-CB 3.44Å; L109-S113 PolarHBondContact O-N 3.23Å; L109-S113 PolarHBondContact O-OG 3.14Å; L109-L173 HydrophobicContact CB-CD1 4.48Å; L109-L173 HydrophobicContact CD1-CD2 3.8Å; L109-Y227 HydrophobicContact CD1-CD1 3.92Å; L109-Y227 HydrophobicContact CD1-CD2 4.11Å; L109-Y227 HydrophobicContact CD1-CE1 3.66Å; L109-Y227 HydrophobicContact CD1-CE2 3.86Å; L109-Y227 HydrophobicContact CD1-CG 4.14Å
110	C	92.3	Very high	88.9	Confident	65 Å²	65	64.4 Å²	64.4	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-61.9	-46.9	175.8	-72.6	0	0	0	0	111.3	L106 G107 H112 S113 V114	L106-C110 WeakPolarHBondContact O-CB 3.36Å; L106-C110 PolarHBondContact O-N 3.24Å; L106-C110 PolarHBondContact O-SG 3.46Å; G107-C110 PolarHBondContact O-N 3.2Å; C110-H112 VanDerWaalsContact C-N 3.29Å; C110-H112 PolarHBondContact O-N 3.28Å; C110-S113 WeakPolarHBondContact O-CB 3.31Å; C110-S113 PolarHBondContact O-N 3.04Å; C110-V114 WeakPolarHBondContact O-CG2 3.17Å; C110-V114 PolarHBondContact O-N 2.88Å
111	L	93.6	Very high	89.2	Confident	100 Å²	100	60.6 Å²	60.6	52%	0.524	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-40.2	176.8	-177.2	60.9	0	0	0	111.8	G107 L108 V114 A115 L169	G107-L111 WeakPolarHBondContact O-CB 3.44Å; G107-L111 PolarHBondContact O-N 2.94Å; L108-L111 PolarHBondContact O-N 2.88Å; L111-V114 PolarHBondContact O-N 3.42Å; L111-A115 PolarHBondContact O-N 3.12Å; L111-L169 HydrophobicContact CD2-CD1 4.4Å; L111-L169 HydrophobicContact CD2-CD2 3.7Å; L111-L169 HydrophobicContact CG-CD1 3.97Å; L111-L169 HydrophobicContact CG-CD2 4.08Å
112	H	93.5	Very high	90	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-43	175.1	-171.8	66.1	0	0	0	112	L108 L109 C110 V114 A115 L116 I166 L169 Y227 S228	L108-H112 WeakPolarHBondContact O-CB 3.47Å; L108-H112 PolarHBondContact O-N 3.36Å; L109-H112 PolarHBondContact O-N 3.23Å; C110-H112 VanDerWaalsContact C-N 3.29Å; C110-H112 PolarHBondContact O-N 3.28Å; H112-V114 VanDerWaalsContact C-N 3.33Å; H112-V114 PolarHBondContact O-N 2.87Å; H112-A115 WeakPolarHBondContact O-CB 3.39Å; H112-A115 PolarHBondContact O-N 3.44Å; H112-L116 WeakPolarHBondContact O-CG 3.3Å; H112-L116 PolarHBondContact O-N 3.02Å; H112-I166 PolarHBondContact CE1-O 3.24Å; H112-I166 VanDerWaalsContact CE1-O 3.27Å; H112-I166 PolarHBondContact ND1-O 3.37Å; H112-L169 HydrophobicContact CB-CB 4.1Å; H112-L169 HydrophobicContact CB-CD1 4.36Å; H112-L169 WeakPolarHBondContact ND1-CB 3.38Å; H112-Y227 AromaticContact CD2-CD1 3.55Å; H112-Y227 AromaticContact CD2-CE1 3.59Å; H112-Y227 AromaticContact NE2-CD1 3.99Å; H112-S228 WeakPolarHBondContact NE2-CB 3.4Å
113	S	93.6	Very high	90.4	Very high	27 Å²	27	49.2 Å²	49.2	19%	0.189	27%	0.273	C	S	.	.	H	α-helix	trans	-57	-46.1	174.4	-52.7	0	0	0	0	111.7	L109 C110 A115 L116 I117 Y227	L109-S113 WeakPolarHBondContact O-CB 3.44Å; L109-S113 PolarHBondContact O-N 3.23Å; L109-S113 PolarHBondContact O-OG 3.14Å; C110-S113 WeakPolarHBondContact O-CB 3.31Å; C110-S113 PolarHBondContact O-N 3.04Å; S113-A115 VanDerWaalsContact C-N 3.34Å; S113-A115 PolarHBondContact O-N 3.42Å; S113-L116 PolarHBondContact O-N 3.06Å; S113-I117 VanDerWaalsContact O-CG1 3.31Å; S113-I117 WeakPolarHBondContact O-CG1 3.44Å; S113-I117 PolarHBondContact O-N 3.05Å; S113-Y227 PolarHBondContact OG-OH 3.2Å
114	V	93.9	Very high	90.3	Very high	94 Å²	94	49.9 Å²	49.9	57%	0.57	28%	0.275	S	S	*	.	H	α-helix	trans	-62.2	-42	177.4	171.2	0	0	0	0	111.1	C110 L111 H112 I117 S118	C110-V114 WeakPolarHBondContact O-CG2 3.17Å; C110-V114 PolarHBondContact O-N 2.88Å; L111-V114 PolarHBondContact O-N 3.42Å; H112-V114 VanDerWaalsContact C-N 3.33Å; H112-V114 PolarHBondContact O-N 2.87Å; V114-I117 PolarHBondContact O-N 2.84Å; V114-S118 VanDerWaalsContact O-CB 3.3Å; V114-S118 WeakPolarHBondContact O-CB 3.37Å; V114-S118 PolarHBondContact O-N 2.89Å
115	A	93	Very high	90.4	Very high	13 Å²	13	46.8 Å²	46.8	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-40.3	176.1	0	0	0	0	0	112.3	L111 H112 S113 R119 V162 I166 L169	L111-A115 PolarHBondContact O-N 3.12Å; H112-A115 WeakPolarHBondContact O-CB 3.39Å; H112-A115 PolarHBondContact O-N 3.44Å; S113-A115 VanDerWaalsContact C-N 3.34Å; S113-A115 PolarHBondContact O-N 3.42Å; A115-R119 WeakPolarHBondContact O-CB 3.48Å; A115-R119 PolarHBondContact O-N 3.35Å; A115-V162 VanDerWaalsContact O-CG1 3.28Å; A115-V162 WeakPolarHBondContact O-CG1 3.36Å; A115-I166 HydrophobicContact CB-CG1 3.91Å; A115-L169 HydrophobicContact CB-CD1 4.1Å
116	L	90.6	Very high	90.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-47.4	175.6	-65.8	168.7	0	0	0	111.3	H112 S113 R119 T120 I166 Y227 T231 K232	H112-L116 WeakPolarHBondContact O-CG 3.3Å; H112-L116 PolarHBondContact O-N 3.02Å; S113-L116 PolarHBondContact O-N 3.06Å; L116-R119 WeakPolarHBondContact O-CB 3.06Å; L116-R119 PolarHBondContact O-N 3.24Å; L116-T120 PolarHBondContact O-N 3.03Å; L116-T120 VanDerWaalsContact O-N 3.07Å; L116-T120 PolarHBondContact O-OG1 2.65Å; L116-I166 HydrophobicContact CD2-CD1 4Å; L116-I166 HydrophobicContact CD2-CG1 4.1Å; L116-I166 HydrophobicContact CD2-CG2 3.84Å; L116-Y227 HydrophobicContact CD1-CD1 4.43Å; L116-Y227 HydrophobicContact CD1-CE1 3.95Å; L116-T231 HydrophobicContact CD1-CG2 4.15Å; L116-K232 HydrophobicContact CD2-CB 3.87Å
117	I	91.1	Very high	90	Very high	74 Å²	74	45.9 Å²	45.9	38%	0.379	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-47.9	177.8	-68.3	166.1	0	0	0	110.7	S113 V114 R119 T120 F121 L235	S113-I117 VanDerWaalsContact O-CG1 3.31Å; S113-I117 WeakPolarHBondContact O-CG1 3.44Å; S113-I117 PolarHBondContact O-N 3.05Å; V114-I117 PolarHBondContact O-N 2.84Å; I117-R119 VanDerWaalsContact C-N 3.26Å; I117-R119 PolarHBondContact O-N 2.83Å; I117-T120 PolarHBondContact O-N 2.88Å; I117-T120 VanDerWaalsContact O-N 3.13Å; I117-F121 HydrophobicContact CG2-CD2 3.71Å; I117-F121 HydrophobicContact CG2-CE2 3.44Å; I117-F121 VanDerWaalsContact CG2-CE2 3.44Å; I117-F121 VanDerWaalsContact O-CD2 3.25Å; I117-F121 WeakPolarHBondContact O-CD2 3.47Å; I117-F121 PolarHBondContact O-N 2.8Å; I117-F121 VanDerWaalsContact O-N 3.11Å; I117-L235 HydrophobicContact CG1-CD1 3.81Å
118	S	91.6	Very high	89.7	Confident	54 Å²	54	45.5 Å²	45.5	38%	0.378	25%	0.248	S	C	.	.	H	α-helix	trans	-56.7	-41.3	176.5	178.3	0	0	0	0	111.6	V114 T120 F121 L122	V114-S118 VanDerWaalsContact O-CB 3.3Å; V114-S118 WeakPolarHBondContact O-CB 3.37Å; V114-S118 PolarHBondContact O-N 2.89Å; S118-T120 PolarHBondContact O-N 2.86Å; S118-F121 PolarHBondContact O-N 3.47Å; S118-L122 WeakPolarHBondContact O-CB 3.41Å; S118-L122 PolarHBondContact O-N 2.77Å; S118-L122 VanDerWaalsContact O-N 3.08Å
119	R	89.1	Confident	89.4	Confident	55 Å²	55	44 Å²	44	21%	0.208	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-42.6	176.8	-178.2	60.7	-166.9	-164.9	1.2	112.3	A115 L116 I117 L122 S123 A159 V162 I166	A115-R119 WeakPolarHBondContact O-CB 3.48Å; A115-R119 PolarHBondContact O-N 3.35Å; L116-R119 WeakPolarHBondContact O-CB 3.06Å; L116-R119 PolarHBondContact O-N 3.24Å; I117-R119 VanDerWaalsContact C-N 3.26Å; I117-R119 PolarHBondContact O-N 2.83Å; R119-L122 PolarHBondContact O-N 3.35Å; R119-S123 PolarHBondContact O-N 3.07Å; R119-S123 PolarHBondContact O-OG 3.32Å; R119-A159 PolarHBondContact NH1-O 3.4Å; R119-V162 HydrophobicContact CB-CG1 3.73Å; R119-I166 HydrophobicContact CB-CD1 3.71Å; R119-I166 HydrophobicContact CG-CD1 3.98Å
120	T	88	Confident	89.2	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-45.9	179.8	-63.7	0	0	0	0	111.5	L116 I117 S118 L122 S123 I124 D236 L239	L116-T120 PolarHBondContact O-N 3.03Å; L116-T120 VanDerWaalsContact O-N 3.07Å; L116-T120 PolarHBondContact O-OG1 2.65Å; I117-T120 PolarHBondContact O-N 2.88Å; I117-T120 VanDerWaalsContact O-N 3.13Å; S118-T120 PolarHBondContact O-N 2.86Å; T120-L122 VanDerWaalsContact C-N 3.28Å; T120-L122 PolarHBondContact O-N 3.14Å; T120-S123 WeakPolarHBondContact O-CB 3.27Å; T120-S123 PolarHBondContact O-N 2.96Å; T120-I124 HydrophobicContact CG2-CD1 4.24Å; T120-I124 WeakPolarHBondContact O-CG1 3.47Å; T120-I124 PolarHBondContact O-N 3.42Å; T120-I124 VanDerWaalsContact O-N 3.11Å; T120-D236 VanDerWaalsContact CB-OD1 3.27Å; T120-D236 WeakPolarHBondContact CB-OD1 3.29Å; T120-D236 WeakPolarHBondContact CG2-OD1 3.4Å; T120-D236 PolarHBondContact OG1-OD1 2.73Å; T120-L239 HydrophobicContact CG2-CB 4.44Å; T120-L239 HydrophobicContact CG2-CD1 3.42Å; T120-L239 VanDerWaalsContact CG2-CD1 3.42Å
121	F	88.6	Confident	88.8	Confident	120 Å²	120	41.8 Å²	41.8	53%	0.526	22%	0.224	S	C	.	.	H	α-helix	trans	-58.5	-41.3	175.1	-79.1	-66.7	0	0	0	112.5	I117 S118 I124 Y125	I117-F121 HydrophobicContact CG2-CD2 3.71Å; I117-F121 HydrophobicContact CG2-CE2 3.44Å; I117-F121 VanDerWaalsContact CG2-CE2 3.44Å; I117-F121 VanDerWaalsContact O-CD2 3.25Å; I117-F121 WeakPolarHBondContact O-CD2 3.47Å; I117-F121 PolarHBondContact O-N 2.8Å; I117-F121 VanDerWaalsContact O-N 3.11Å; S118-F121 PolarHBondContact O-N 3.47Å; F121-I124 PolarHBondContact O-N 3.38Å; F121-Y125 WeakPolarHBondContact O-CB 3.24Å; F121-Y125 PolarHBondContact O-N 2.91Å
122	L	88.8	Confident	88.5	Confident	28 Å²	28	40.4 Å²	40.4	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-38.6	178.5	-159	62	0	0	0	112.4	S118 R119 T120 Y125 V126 I155 A159	S118-L122 WeakPolarHBondContact O-CB 3.41Å; S118-L122 PolarHBondContact O-N 2.77Å; S118-L122 VanDerWaalsContact O-N 3.08Å; R119-L122 PolarHBondContact O-N 3.35Å; T120-L122 VanDerWaalsContact C-N 3.28Å; T120-L122 PolarHBondContact O-N 3.14Å; L122-Y125 PolarHBondContact O-N 3.42Å; L122-V126 VanDerWaalsContact O-CG2 3.27Å; L122-V126 WeakPolarHBondContact O-CG2 3.27Å; L122-V126 PolarHBondContact O-N 2.82Å; L122-I155 HydrophobicContact CD1-CG2 3.6Å; L122-I155 HydrophobicContact CG-CG2 4.12Å; L122-A159 HydrophobicContact CD2-CB 3.33Å; L122-A159 HydrophobicContact CG-CB 4.16Å
123	S	84.5	Confident	88.2	Confident	33 Å²	33	41.2 Å²	41.2	23%	0.231	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-43.5	174.6	-58.6	0	0	0	0	111.9	R119 T120 Y125 V126 A127	R119-S123 PolarHBondContact O-N 3.07Å; R119-S123 PolarHBondContact O-OG 3.32Å; T120-S123 WeakPolarHBondContact O-CB 3.27Å; T120-S123 PolarHBondContact O-N 2.96Å; S123-Y125 VanDerWaalsContact C-N 3.34Å; S123-Y125 PolarHBondContact O-N 2.86Å; S123-V126 PolarHBondContact O-N 3.42Å; S123-A127 PolarHBondContact O-N 2.89Å
124	I	85.1	Confident	87.9	Confident	35 Å²	35	42.1 Å²	42.1	18%	0.179	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-42.3	176.8	-64.1	167.3	0	0	0	110.5	T120 F121 A127 S128 L239	T120-I124 HydrophobicContact CG2-CD1 4.24Å; T120-I124 WeakPolarHBondContact O-CG1 3.47Å; T120-I124 PolarHBondContact O-N 3.42Å; T120-I124 VanDerWaalsContact O-N 3.11Å; F121-I124 PolarHBondContact O-N 3.38Å; I124-A127 PolarHBondContact O-N 2.66Å; I124-S128 PolarHBondContact O-N 2.84Å; I124-L239 HydrophobicContact CD1-CB 3.73Å; I124-L239 HydrophobicContact CD1-CD1 4.26Å
125	Y	87.4	Confident	87.4	Confident	107 Å²	107	39.8 Å²	39.8	42%	0.42	21%	0.205	S	C	.	.	H	α-helix	trans	-64.5	-41.8	178.7	-174.5	-125.1	0	0	0	112.2	F121 L122 S123 S128 L129 I155	F121-Y125 WeakPolarHBondContact O-CB 3.24Å; F121-Y125 PolarHBondContact O-N 2.91Å; L122-Y125 PolarHBondContact O-N 3.42Å; S123-Y125 VanDerWaalsContact C-N 3.34Å; S123-Y125 PolarHBondContact O-N 2.86Å; Y125-S128 PolarHBondContact O-N 3.04Å; Y125-L129 HydrophobicContact CD1-CD1 3.89Å; Y125-L129 HydrophobicContact CE1-CD1 3.63Å; Y125-L129 HydrophobicContact CE2-CD1 4.25Å; Y125-L129 HydrophobicContact CE2-CG 4.34Å; Y125-L129 HydrophobicContact CG-CD1 4.35Å; Y125-L129 WeakPolarHBondContact O-CG 3.22Å; Y125-L129 PolarHBondContact O-N 2.88Å; Y125-I155 HydrophobicContact CD1-CD1 3.7Å; Y125-I155 HydrophobicContact CD1-CG1 4.32Å; Y125-I155 HydrophobicContact CD1-CG2 4.39Å; Y125-I155 HydrophobicContact CE1-CD1 3.14Å; Y125-I155 HydrophobicContact CE1-CG1 3.9Å
126	V	87.8	Confident	87	Confident	38 Å²	38	39.6 Å²	39.6	23%	0.23	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-45.1	173	170.7	0	0	0	0	110.8	L122 S123 S128 L129 D130 I155	L122-V126 VanDerWaalsContact O-CG2 3.27Å; L122-V126 WeakPolarHBondContact O-CG2 3.27Å; L122-V126 PolarHBondContact O-N 2.82Å; S123-V126 PolarHBondContact O-N 3.42Å; V126-S128 VanDerWaalsContact C-N 3.31Å; V126-S128 PolarHBondContact O-N 2.84Å; V126-L129 PolarHBondContact O-N 3.05Å; V126-L129 VanDerWaalsContact O-N 3.14Å; V126-D130 PolarHBondContact O-N 3.12Å; V126-I155 HydrophobicContact CG2-CG2 3.82Å
127	A	83.4	Confident	86.8	Confident	11 Å²	11	44.2 Å²	44.2	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-35.1	177.6	0	0	0	0	0	113.3	S123 I124 G131 L406	S123-A127 PolarHBondContact O-N 2.89Å; I124-A127 PolarHBondContact O-N 2.66Å; A127-G131 PolarHBondContact O-N 2.71Å; A127-L406 HydrophobicContact CB-CD2 4.08Å
128	S	83.9	Confident	86.5	Confident	37 Å²	37	42.9 Å²	42.9	26%	0.259	22%	0.221	S	C	.	.	H	α-helix	trans	-68.4	-40.7	173.1	-180	0	0	0	0	112.1	I124 Y125 V126 G131 K132	I124-S128 PolarHBondContact O-N 2.84Å; Y125-S128 PolarHBondContact O-N 3.04Å; V126-S128 VanDerWaalsContact C-N 3.31Å; V126-S128 PolarHBondContact O-N 2.84Å; S128-G131 PolarHBondContact O-N 3.04Å; S128-K132 WeakPolarHBondContact O-CG 3.39Å; S128-K132 PolarHBondContact O-N 3.31Å; S128-K132 VanDerWaalsContact O-N 3.09Å
129	L	86.4	Confident	86.1	Confident	2 Å²	2	42 Å²	42	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-66.6	-39.6	177.3	-75.4	166.2	0	0	0	112.3	Y125 V126 G131 K132 I133 I155	Y125-L129 HydrophobicContact CD1-CD1 3.89Å; Y125-L129 HydrophobicContact CE1-CD1 3.63Å; Y125-L129 HydrophobicContact CE2-CD1 4.25Å; Y125-L129 HydrophobicContact CE2-CG 4.34Å; Y125-L129 HydrophobicContact CG-CD1 4.35Å; Y125-L129 WeakPolarHBondContact O-CG 3.22Å; Y125-L129 PolarHBondContact O-N 2.88Å; V126-L129 PolarHBondContact O-N 3.05Å; V126-L129 VanDerWaalsContact O-N 3.14Å; L129-G131 VanDerWaalsContact C-N 3.28Å; L129-G131 PolarHBondContact O-N 2.64Å; L129-K132 HydrophobicContact CD2-CD 4.49Å; L129-K132 PolarHBondContact O-N 2.85Å; L129-K132 VanDerWaalsContact O-N 3.13Å; L129-I133 VanDerWaalsContact O-CG1 3.3Å; L129-I133 WeakPolarHBondContact O-CG1 2.97Å; L129-I133 PolarHBondContact O-N 3.19Å; L129-I155 HydrophobicContact CD1-CD1 3.06Å
130	D	86.6	Confident	85.8	Confident	48 Å²	48	47.6 Å²	47.6	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-56.9	-43.8	173.4	-72.6	-12.9	0	0	0	111.1	V126 K132 I133 V134 W152	V126-D130 PolarHBondContact O-N 3.12Å; D130-K132 PolarHBondContact O-N 3.42Å; D130-I133 PolarHBondContact O-N 3.38Å; D130-V134 WeakPolarHBondContact O-CG2 3.41Å; D130-V134 PolarHBondContact O-N 3.1Å; D130-W152 VanDerWaalsContact OD1-CD1 3.25Å; D130-W152 PolarHBondContact OD1-NE1 2.97Å
131	G	84.4	Confident	85.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-44.4	174.5	0	0	0	0	0	112.9	A127 S128 L129 V134 K135	A127-G131 PolarHBondContact O-N 2.71Å; S128-G131 PolarHBondContact O-N 3.04Å; L129-G131 VanDerWaalsContact C-N 3.28Å; L129-G131 PolarHBondContact O-N 2.64Å; G131-V134 PolarHBondContact O-N 3.12Å; G131-K135 WeakPolarHBondContact O-CB 3.43Å; G131-K135 PolarHBondContact O-N 3Å
132	K	86.1	Confident	85.8	Confident	71 Å²	71	51.1 Å²	51.1	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-66	-36.6	176.7	-71.1	171.3	-178.1	167.8	0	112.7	S128 L129 D130 K135 T136	S128-K132 WeakPolarHBondContact O-CG 3.39Å; S128-K132 PolarHBondContact O-N 3.31Å; S128-K132 VanDerWaalsContact O-N 3.09Å; L129-K132 HydrophobicContact CD2-CD 4.49Å; L129-K132 PolarHBondContact O-N 2.85Å; L129-K132 VanDerWaalsContact O-N 3.13Å; D130-K132 PolarHBondContact O-N 3.42Å; K132-K135 WeakPolarHBondContact O-CB 3.42Å; K132-K135 PolarHBondContact O-N 3.43Å; K132-T136 WeakPolarHBondContact O-CG2 3.4Å; K132-T136 PolarHBondContact O-N 3.12Å; K132-T136 PolarHBondContact O-OG1 3.29Å
133	I	88.8	Confident	85.8	Confident	18 Å²	18	59.7 Å²	59.7	9%	0.092	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-50.7	174.7	-70.5	166.1	0	0	0	109	L129 D130 K135 T136 I137 F145 Q148 W152	L129-I133 VanDerWaalsContact O-CG1 3.3Å; L129-I133 WeakPolarHBondContact O-CG1 2.97Å; L129-I133 PolarHBondContact O-N 3.19Å; D130-I133 PolarHBondContact O-N 3.38Å; I133-K135 VanDerWaalsContact C-N 3.3Å; I133-K135 PolarHBondContact O-N 2.95Å; I133-T136 PolarHBondContact O-N 3.45Å; I133-T136 VanDerWaalsContact O-N 3.1Å; I133-T136 PolarHBondContact O-OG1 3.16Å; I133-I137 HydrophobicContact CG2-CD1 4.11Å; I133-I137 WeakPolarHBondContact O-CG1 3.32Å; I133-I137 PolarHBondContact O-N 3.41Å; I133-F145 HydrophobicContact CG2-CD2 3.97Å; I133-F145 HydrophobicContact CG2-CE2 3.7Å; I133-Q148 HydrophobicContact CG1-CB 3.76Å; I133-W152 HydrophobicContact CD1-CB 3.9Å; I133-W152 HydrophobicContact CD1-CG 4.07Å
134	V	86.6	Confident	86	Confident	46 Å²	46	63.1 Å²	63.1	28%	0.279	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-40.6	177.1	175.7	0	0	0	0	111.6	D130 G131 T136 I137 V138 T397 T401	D130-V134 WeakPolarHBondContact O-CG2 3.41Å; D130-V134 PolarHBondContact O-N 3.1Å; G131-V134 PolarHBondContact O-N 3.12Å; V134-T136 PolarHBondContact O-N 3.19Å; V134-I137 WeakPolarHBondContact O-CB 3.4Å; V134-I137 PolarHBondContact O-N 2.91Å; V134-I137 VanDerWaalsContact O-N 3.17Å; V134-V138 WeakPolarHBondContact O-CG2 3.13Å; V134-V138 PolarHBondContact O-N 3.37Å; V134-T397 HydrophobicContact CG1-CG2 3.89Å; V134-T401 HydrophobicContact CB-CG2 4.41Å; V134-T401 HydrophobicContact CG2-CG2 4.08Å
135	K	82.7	Confident	86.3	Confident	44 Å²	44	64.6 Å²	64.6	19%	0.191	31%	0.309	C	S	.	.	H	α-helix	trans	-52.8	-50.8	172	-166.7	-164.3	-165.7	142.2	0	112	G131 K132 I133 I137 V138 E139 S394 E398	G131-K135 WeakPolarHBondContact O-CB 3.43Å; G131-K135 PolarHBondContact O-N 3Å; K132-K135 WeakPolarHBondContact O-CB 3.42Å; K132-K135 PolarHBondContact O-N 3.43Å; I133-K135 VanDerWaalsContact C-N 3.3Å; I133-K135 PolarHBondContact O-N 2.95Å; K135-I137 VanDerWaalsContact C-N 3.28Å; K135-I137 PolarHBondContact O-N 3.46Å; K135-V138 PolarHBondContact O-N 2.92Å; K135-E139 WeakPolarHBondContact CE-OE1 3.39Å; K135-E139 WeakPolarHBondContact CG-OE1 3.41Å; K135-E139 WeakPolarHBondContact O-CG 3.42Å; K135-E139 PolarHBondContact O-N 3.28Å; K135-S394 WeakPolarHBondContact CG-OG 3.32Å; K135-E398 HydrophobicContact CB-CB 4.15Å; K135-E398 HydrophobicContact CB-CG 4.43Å; K135-E398 WeakPolarHBondContact CD-OE2 3.45Å; K135-E398 WeakPolarHBondContact CE-OE2 3.37Å; K135-E398 HydrophobicContact CG-CB 4.29Å; K135-E398 IonicContact NZ-OE2 2.76Å; K135-E398 PolarHBondContact NZ-OE2 3.5Å
136	T	86.4	Confident	86.6	Confident	10 Å²	10	64.4 Å²	64.4	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-66.6	-28.3	-179.6	58.6	0	0	0	0	113.7	K132 I133 V134 K140 K141 H144 Q148	K132-T136 WeakPolarHBondContact O-CG2 3.4Å; K132-T136 PolarHBondContact O-N 3.12Å; K132-T136 PolarHBondContact O-OG1 3.29Å; I133-T136 PolarHBondContact O-N 3.45Å; I133-T136 VanDerWaalsContact O-N 3.1Å; I133-T136 PolarHBondContact O-OG1 3.16Å; V134-T136 PolarHBondContact O-N 3.19Å; T136-K140 PolarHBondContact O-N 3.29Å; T136-K141 PolarHBondContact O-N 3.27Å; T136-H144 HydrophobicContact CG2-CB 3.96Å; T136-Q148 HydrophobicContact CG2-CG 4.32Å
137	I	86.5	Confident	86.8	Confident	97 Å²	97	66.8 Å²	66.8	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-66.4	-47	172.4	-65.5	169	0	0	0	109.8	I133 V134 K135 E139 K140 F145	I133-I137 HydrophobicContact CG2-CD1 4.11Å; I133-I137 WeakPolarHBondContact O-CG1 3.32Å; I133-I137 PolarHBondContact O-N 3.41Å; V134-I137 WeakPolarHBondContact O-CB 3.4Å; V134-I137 PolarHBondContact O-N 2.91Å; V134-I137 VanDerWaalsContact O-N 3.17Å; K135-I137 VanDerWaalsContact C-N 3.28Å; K135-I137 PolarHBondContact O-N 3.46Å; I137-E139 VanDerWaalsContact C-N 3.34Å; I137-E139 PolarHBondContact O-N 3Å; I137-K140 PolarHBondContact O-N 3.43Å; I137-K140 VanDerWaalsContact O-N 3.14Å; I137-F145 HydrophobicContact CD1-CD2 4.31Å; I137-F145 HydrophobicContact CD1-CE2 3.98Å; I137-F145 HydrophobicContact CG1-CD2 3.8Å; I137-F145 HydrophobicContact CG1-CE2 3.95Å
138	V	83.4	Confident	87.1	Confident	45 Å²	45	67.9 Å²	67.9	27%	0.273	33%	0.329	S	S	.	.	H	α-helix	trans	-65.9	-36.5	178.1	177.2	0	0	0	0	111.7	V134 K135 K140 T397	V134-V138 WeakPolarHBondContact O-CG2 3.13Å; V134-V138 PolarHBondContact O-N 3.37Å; K135-V138 PolarHBondContact O-N 2.92Å; V138-K140 PolarHBondContact O-N 3.29Å; V138-T397 HydrophobicContact CG2-CG2 4.06Å
139	E	82.9	Confident	87.4	Confident	36 Å²	36	69.7 Å²	69.7	17%	0.168	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.2	175	-72	179	-162.2	0	0	114.2	K135 I137 K141 S394	K135-E139 WeakPolarHBondContact CE-OE1 3.39Å; K135-E139 WeakPolarHBondContact CG-OE1 3.41Å; K135-E139 WeakPolarHBondContact O-CG 3.42Å; K135-E139 PolarHBondContact O-N 3.28Å; I137-E139 VanDerWaalsContact C-N 3.34Å; I137-E139 PolarHBondContact O-N 3Å; E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 HydrophobicContact CB-CD 4.22Å; E139-K141 HydrophobicContact CB-CG 4.21Å; E139-K141 PolarHBondContact O-N 3.02Å; E139-K141 WeakPolarHBondContact OE2-CE 3.24Å; E139-K141 IonicContact OE2-NZ 3.89Å; E139-K141 PolarHBondContact OE2-NZ 2.92Å; E139-S394 WeakPolarHBondContact CG-OG 3.18Å; E139-S394 PolarHBondContact OE1-OG 3.38Å
140	K	82.9	Confident	87.8	Confident	173 Å²	173	75.4 Å²	75.4	75%	0.752	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	38.2	-178	-56.9	179.9	179.8	177.7	0	113.4	T136 I137 V138 P142	T136-K140 PolarHBondContact O-N 3.29Å; I137-K140 PolarHBondContact O-N 3.43Å; I137-K140 VanDerWaalsContact O-N 3.14Å; V138-K140 PolarHBondContact O-N 3.29Å; K140-P142 WeakPolarHBondContact O-CD 3.47Å
141	K	88.6	Confident	88	Confident	100 Å²	100	77.9 Å²	77.9	44%	0.435	37%	0.371	S	S	.	.			trans	-104.5	90.6	179.8	-70	177.3	-173.5	158.7	0	111.7	T136 E139 R143 H144 F145	T136-K141 PolarHBondContact O-N 3.27Å; E139-K141 VanDerWaalsContact C-N 3.29Å; E139-K141 HydrophobicContact CB-CD 4.22Å; E139-K141 HydrophobicContact CB-CG 4.21Å; E139-K141 PolarHBondContact O-N 3.02Å; E139-K141 WeakPolarHBondContact OE2-CE 3.24Å; E139-K141 IonicContact OE2-NZ 3.89Å; E139-K141 PolarHBondContact OE2-NZ 2.92Å; K141-R143 PolarHBondContact O-N 2.79Å; K141-H144 HydrophobicContact CB-CB 4.14Å; K141-H144 PolarHBondContact O-N 3.01Å; K141-F145 PolarHBondContact O-N 3.41Å; K141-F145 VanDerWaalsContact O-N 3.07Å
142	P	87.9	Confident	88.4	Confident	95 Å²	95	82.4 Å²	82.4	62%	0.617	39%	0.388	S	S	*	.	H	α-helix	trans	-65.2	-36.3	-171.4	25.2	-34.9	0	0	0	113.7	K140 H144 F145 I146	K140-P142 WeakPolarHBondContact O-CD 3.47Å; P142-H144 PolarHBondContact O-N 2.97Å; P142-F145 PolarHBondContact O-N 2.67Å; P142-I146 WeakPolarHBondContact O-CG1 3.45Å; P142-I146 PolarHBondContact O-N 3.07Å; P142-I146 VanDerWaalsContact O-N 3.12Å
143	R	90.1	Very high	88.7	Confident	208 Å²	208	84 Å²	84	79%	0.785	40%	0.4	S	S	*	.	H	α-helix	trans	-64.1	-42	178	-67.3	-175.6	-179.8	171.7	0.2	112.1	K141 I147	K141-R143 PolarHBondContact O-N 2.79Å; R143-I147 WeakPolarHBondContact O-CG1 3.41Å; R143-I147 PolarHBondContact O-N 3.08Å
144	H	88.2	Confident	88.9	Confident	104 Å²	104	89 Å²	89	48%	0.481	43%	0.426	S	S	.	.	H	α-helix	trans	-70.9	-37.1	178.6	-78.9	48.1	0	0	0	111.6	T136 K141 P142 I147 Q148	T136-H144 HydrophobicContact CG2-CB 3.96Å; K141-H144 HydrophobicContact CB-CB 4.14Å; K141-H144 PolarHBondContact O-N 3.01Å; P142-H144 PolarHBondContact O-N 2.97Å; H144-I147 PolarHBondContact O-N 3.43Å; H144-Q148 WeakPolarHBondContact O-CG 3.38Å; H144-Q148 PolarHBondContact O-N 3.21Å
145	F	91.6	Very high	89.2	Confident	66 Å²	66	87.7 Å²	87.7	29%	0.289	42%	0.418	S	S	.	.	H	α-helix	trans	-56.7	-49.2	173.5	169.9	-100.8	0	0	0	112.1	I133 I137 K141 P142 I147 Q148 L149	I133-F145 HydrophobicContact CG2-CD2 3.97Å; I133-F145 HydrophobicContact CG2-CE2 3.7Å; I137-F145 HydrophobicContact CD1-CD2 4.31Å; I137-F145 HydrophobicContact CD1-CE2 3.98Å; I137-F145 HydrophobicContact CG1-CD2 3.8Å; I137-F145 HydrophobicContact CG1-CE2 3.95Å; K141-F145 PolarHBondContact O-N 3.41Å; K141-F145 VanDerWaalsContact O-N 3.07Å; P142-F145 PolarHBondContact O-N 2.67Å; F145-I147 VanDerWaalsContact C-N 3.32Å; F145-I147 PolarHBondContact O-N 3.02Å; F145-Q148 PolarHBondContact O-N 2.84Å; F145-L149 HydrophobicContact CE1-CD2 4.07Å; F145-L149 HydrophobicContact CZ-CD2 4.04Å; F145-L149 WeakPolarHBondContact O-CB 3.22Å; F145-L149 PolarHBondContact O-N 3.14Å
146	I	92.6	Very high	89.5	Confident	103 Å²	103	87.4 Å²	87.4	53%	0.528	42%	0.423	S	S	.	.	H	α-helix	trans	-59.6	-43.2	178.8	-66.2	167.8	0	0	0	110.9	P142 Q148 L149 M150	P142-I146 WeakPolarHBondContact O-CG1 3.45Å; P142-I146 PolarHBondContact O-N 3.07Å; P142-I146 VanDerWaalsContact O-N 3.12Å; I146-Q148 PolarHBondContact O-N 2.76Å; I146-L149 PolarHBondContact O-N 2.9Å; I146-M150 HydrophobicContact CG2-CG 4.34Å; I146-M150 WeakPolarHBondContact O-CB 3.39Å; I146-M150 VanDerWaalsContact O-CG 3.24Å; I146-M150 WeakPolarHBondContact O-CG 3.4Å; I146-M150 PolarHBondContact O-N 3.48Å
147	I	91.9	Very high	89.7	Confident	88 Å²	88	92.3 Å²	92.3	45%	0.451	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-43.8	178.3	-66.2	166.9	0	0	0	111.2	R143 H144 F145 M150 K151	R143-I147 WeakPolarHBondContact O-CG1 3.41Å; R143-I147 PolarHBondContact O-N 3.08Å; H144-I147 PolarHBondContact O-N 3.43Å; F145-I147 VanDerWaalsContact C-N 3.32Å; F145-I147 PolarHBondContact O-N 3.02Å; I147-M150 PolarHBondContact O-N 3.16Å; I147-K151 WeakPolarHBondContact O-CG 3.22Å; I147-K151 PolarHBondContact O-N 3Å; I147-K151 VanDerWaalsContact O-N 3.08Å
148	Q	90.2	Very high	90	Very high	35 Å²	35	90.6 Å²	90.6	16%	0.164	44%	0.443	C	S	.	.	H	α-helix	trans	-68.9	-37.9	179.2	-65.1	-64.3	-4.4	0	0	112.1	I133 T136 H144 F145 I146 K151 W152	I133-Q148 HydrophobicContact CG1-CB 3.76Å; T136-Q148 HydrophobicContact CG2-CG 4.32Å; H144-Q148 WeakPolarHBondContact O-CG 3.38Å; H144-Q148 PolarHBondContact O-N 3.21Å; F145-Q148 PolarHBondContact O-N 2.84Å; I146-Q148 PolarHBondContact O-N 2.76Å; Q148-K151 PolarHBondContact O-N 2.85Å; Q148-W152 PolarHBondContact O-N 2.9Å
149	L	91.1	Very high	90.3	Very high	74 Å²	74	89 Å²	89	39%	0.387	43%	0.434	S	S	.	.	H	α-helix	trans	-65.2	-41.7	175.3	-175.9	63.8	0	0	0	111.9	F145 I146 K151 W152 L153	F145-L149 HydrophobicContact CE1-CD2 4.07Å; F145-L149 HydrophobicContact CZ-CD2 4.04Å; F145-L149 WeakPolarHBondContact O-CB 3.22Å; F145-L149 PolarHBondContact O-N 3.14Å; I146-L149 PolarHBondContact O-N 2.9Å; L149-K151 PolarHBondContact O-N 3.03Å; L149-W152 WeakPolarHBondContact O-CB 3.39Å; L149-W152 PolarHBondContact O-N 3.33Å; L149-L153 PolarHBondContact O-N 3.46Å
150	M	93.5	Very high	90.8	Very high	123 Å²	123	91.3 Å²	91.3	61%	0.606	45%	0.451	S	S	*	.	H	α-helix	trans	-63.6	-40.5	175.4	-72.1	-66.9	-90.4	0	0	111.8	I146 I147 L153 L154	I146-M150 HydrophobicContact CG2-CG 4.34Å; I146-M150 WeakPolarHBondContact O-CB 3.39Å; I146-M150 VanDerWaalsContact O-CG 3.24Å; I146-M150 WeakPolarHBondContact O-CG 3.4Å; I146-M150 PolarHBondContact O-N 3.48Å; I147-M150 PolarHBondContact O-N 3.16Å; M150-L153 PolarHBondContact O-N 2.91Å; M150-L154 WeakPolarHBondContact O-CB 3.35Å; M150-L154 PolarHBondContact O-N 3.35Å
151	K	92.3	Very high	91.4	Very high	99 Å²	99	90.3 Å²	90.3	43%	0.43	45%	0.447	S	S	.	.	H	α-helix	trans	-59.8	-46.5	172.8	-74.3	177.5	-178.4	-177.6	0	111.3	I147 Q148 L149 L153 L154 I155	I147-K151 WeakPolarHBondContact O-CG 3.22Å; I147-K151 PolarHBondContact O-N 3Å; I147-K151 VanDerWaalsContact O-N 3.08Å; Q148-K151 PolarHBondContact O-N 2.85Å; L149-K151 PolarHBondContact O-N 3.03Å; K151-L153 PolarHBondContact O-N 3.09Å; K151-L154 PolarHBondContact O-N 3.22Å; K151-I155 WeakPolarHBondContact O-CD1 3.37Å; K151-I155 VanDerWaalsContact O-CG1 3.27Å; K151-I155 WeakPolarHBondContact O-CG1 3.41Å; K151-I155 PolarHBondContact O-N 3.02Å; K151-I155 VanDerWaalsContact O-N 3.1Å
152	W	91.3	Very high	91.6	Very high	95 Å²	95	86.4 Å²	86.4	36%	0.36	43%	0.432	S	S	.	.	H	α-helix	trans	-58.2	-45.3	177.6	-177.6	96.4	0	0	0	112.2	D130 I133 Q148 L149 I155 A156	D130-W152 VanDerWaalsContact OD1-CD1 3.25Å; D130-W152 PolarHBondContact OD1-NE1 2.97Å; I133-W152 HydrophobicContact CD1-CB 3.9Å; I133-W152 HydrophobicContact CD1-CG 4.07Å; Q148-W152 PolarHBondContact O-N 2.9Å; L149-W152 WeakPolarHBondContact O-CB 3.39Å; L149-W152 PolarHBondContact O-N 3.33Å; W152-I155 PolarHBondContact O-N 3.4Å; W152-A156 PolarHBondContact O-N 2.67Å
153	L	92.6	Very high	91.7	Very high	106 Å²	106	85.1 Å²	85.1	56%	0.555	42%	0.42	S	S	*	.	H	α-helix	trans	-64.9	-41.3	177.1	-172.5	67.3	0	0	0	112.2	L149 M150 K151 I155 A156	L149-L153 PolarHBondContact O-N 3.46Å; M150-L153 PolarHBondContact O-N 2.91Å; K151-L153 PolarHBondContact O-N 3.09Å; L153-I155 VanDerWaalsContact C-N 3.29Å; L153-I155 PolarHBondContact O-N 3.41Å; L153-A156 VanDerWaalsContact O-CB 3.25Å; L153-A156 WeakPolarHBondContact O-CB 3.39Å; L153-A156 PolarHBondContact O-N 2.93Å; L153-A156 VanDerWaalsContact O-N 3.13Å
154	L	92.9	Very high	91.9	Very high	121 Å²	121	78.9 Å²	78.9	63%	0.634	41%	0.408	S	S	*	.	H	α-helix	trans	-63	-36.7	179.7	-172.6	66.7	0	0	0	112	M150 K151 A156 I157 P158	M150-L154 WeakPolarHBondContact O-CB 3.35Å; M150-L154 PolarHBondContact O-N 3.35Å; K151-L154 PolarHBondContact O-N 3.22Å; L154-A156 VanDerWaalsContact C-N 3.27Å; L154-A156 PolarHBondContact O-N 3.05Å; L154-I157 HydrophobicContact CD1-CD1 4.46Å; L154-I157 PolarHBondContact O-N 3.41Å; L154-P158 WeakPolarHBondContact O-CD 3.38Å
155	I	93.2	Very high	92.2	Very high	20 Å²	20	75 Å²	75	10%	0.103	39%	0.394	C	S	.	.	H	α-helix	trans	-70.5	-23.5	177.7	-69.3	154.6	0	0	0	112.2	L122 Y125 V126 L129 K151 W152 L153 I157 P158 A159	L122-I155 HydrophobicContact CD1-CG2 3.6Å; L122-I155 HydrophobicContact CG-CG2 4.12Å; Y125-I155 HydrophobicContact CD1-CD1 3.7Å; Y125-I155 HydrophobicContact CD1-CG1 4.32Å; Y125-I155 HydrophobicContact CD1-CG2 4.39Å; Y125-I155 HydrophobicContact CE1-CD1 3.14Å; Y125-I155 HydrophobicContact CE1-CG1 3.9Å; V126-I155 HydrophobicContact CG2-CG2 3.82Å; L129-I155 HydrophobicContact CD1-CD1 3.06Å; K151-I155 WeakPolarHBondContact O-CD1 3.37Å; K151-I155 VanDerWaalsContact O-CG1 3.27Å; K151-I155 WeakPolarHBondContact O-CG1 3.41Å; K151-I155 PolarHBondContact O-N 3.02Å; K151-I155 VanDerWaalsContact O-N 3.1Å; W152-I155 PolarHBondContact O-N 3.4Å; L153-I155 VanDerWaalsContact C-N 3.29Å; L153-I155 PolarHBondContact O-N 3.41Å; I155-I157 PolarHBondContact O-N 3.36Å; I155-P158 VanDerWaalsContact O-CD 3.23Å; I155-P158 WeakPolarHBondContact O-CD 3.35Å; I155-P158 VanDerWaalsContact O-CG 3.31Å; I155-P158 WeakPolarHBondContact O-CG 3.44Å; I155-A159 VanDerWaalsContact O-CB 3.3Å; I155-A159 WeakPolarHBondContact O-CB 3.44Å; I155-A159 PolarHBondContact O-N 2.94Å; I155-A159 VanDerWaalsContact O-N 3.12Å
156	A	89	Confident	92.3	Very high	37 Å²	37	72.2 Å²	72.2	31%	0.306	38%	0.382	S	S	.	.	H	α-helix	trans	-62.2	-30.6	176.8	0	0	0	0	0	112.3	W152 L153 L154 A159 T160	W152-A156 PolarHBondContact O-N 2.67Å; L153-A156 VanDerWaalsContact O-CB 3.25Å; L153-A156 WeakPolarHBondContact O-CB 3.39Å; L153-A156 PolarHBondContact O-N 2.93Å; L153-A156 VanDerWaalsContact O-N 3.13Å; L154-A156 VanDerWaalsContact C-N 3.27Å; L154-A156 PolarHBondContact O-N 3.05Å; A156-A159 PolarHBondContact O-N 3.39Å; A156-T160 WeakPolarHBondContact O-CG2 3.48Å; A156-T160 PolarHBondContact O-N 2.86Å; A156-T160 PolarHBondContact O-OG1 2.83Å; A156-T160 VanDerWaalsContact O-OG1 3.09Å
157	I	91.8	Very high	92.2	Very high	113 Å²	113	72.9 Å²	72.9	58%	0.579	38%	0.378	S	S	*	.	H	α-helix	trans	-64.2	-58.1	179.6	-56.2	174.6	0	0	0	112.2	L154 I155 A159 T160 F161	L154-I157 HydrophobicContact CD1-CD1 4.46Å; L154-I157 PolarHBondContact O-N 3.41Å; I155-I157 PolarHBondContact O-N 3.36Å; I157-A159 PolarHBondContact O-N 3.48Å; I157-T160 PolarHBondContact O-N 3.24Å; I157-T160 PolarHBondContact O-OG1 2.87Å; I157-F161 PolarHBondContact O-N 3.25Å; I157-F161 VanDerWaalsContact O-N 3.12Å
158	P	92.8	Very high	92.4	Very high	62 Å²	62	75.3 Å²	75.3	40%	0.403	38%	0.382	S	S	.	.	H	α-helix	trans	-63.4	-29.4	174.4	24.7	-32.9	0	0	0	111.5	L154 I155 F161 V162	L154-P158 WeakPolarHBondContact O-CD 3.38Å; I155-P158 VanDerWaalsContact O-CD 3.23Å; I155-P158 WeakPolarHBondContact O-CD 3.35Å; I155-P158 VanDerWaalsContact O-CG 3.31Å; I155-P158 WeakPolarHBondContact O-CG 3.44Å; P158-F161 PolarHBondContact O-N 2.88Å; P158-V162 VanDerWaalsContact O-CG2 3.28Å; P158-V162 WeakPolarHBondContact O-CG2 3.49Å; P158-V162 PolarHBondContact O-N 3.09Å
159	A	89.6	Confident	92.6	Very high	11 Å²	11	74.2 Å²	74.2	9%	0.091	38%	0.378	C	S	.	.	H	α-helix	trans	-64.5	-45.8	177.6	0	0	0	0	0	113.4	R119 L122 I155 A156 I157 N163	R119-A159 PolarHBondContact NH1-O 3.4Å; L122-A159 HydrophobicContact CD2-CB 3.33Å; L122-A159 HydrophobicContact CG-CB 4.16Å; I155-A159 VanDerWaalsContact O-CB 3.3Å; I155-A159 WeakPolarHBondContact O-CB 3.44Å; I155-A159 PolarHBondContact O-N 2.94Å; I155-A159 VanDerWaalsContact O-N 3.12Å; A156-A159 PolarHBondContact O-N 3.39Å; I157-A159 PolarHBondContact O-N 3.48Å; A159-N163 WeakPolarHBondContact O-CB 3.42Å; A159-N163 PolarHBondContact O-N 2.85Å; A159-N163 VanDerWaalsContact O-N 3.08Å
160	T	92.9	Very high	92.7	Very high	85 Å²	85	71.5 Å²	71.5	52%	0.521	36%	0.363	S	S	.	.	H	α-helix	trans	-67.6	-40.1	177.1	53.2	0	0	0	0	110.8	A156 I157 N163 S164	A156-T160 WeakPolarHBondContact O-CG2 3.48Å; A156-T160 PolarHBondContact O-N 2.86Å; A156-T160 PolarHBondContact O-OG1 2.83Å; A156-T160 VanDerWaalsContact O-OG1 3.09Å; I157-T160 PolarHBondContact O-N 3.24Å; I157-T160 PolarHBondContact O-OG1 2.87Å; T160-N163 PolarHBondContact O-N 3.47Å; T160-S164 PolarHBondContact O-N 2.98Å; T160-S164 PolarHBondContact O-OG 2.86Å
161	F	94.9	Very high	92.8	Very high	151 Å²	151	69.9 Å²	69.9	66%	0.662	36%	0.362	S	S	*	.	H	α-helix	trans	-57.4	-51.9	174	177.7	-98	0	0	0	112.1	I157 P158 N163 S164 A165	I157-F161 PolarHBondContact O-N 3.25Å; I157-F161 VanDerWaalsContact O-N 3.12Å; P158-F161 PolarHBondContact O-N 2.88Å; F161-N163 VanDerWaalsContact C-N 3.28Å; F161-N163 PolarHBondContact O-N 3.07Å; F161-S164 PolarHBondContact O-N 3.3Å; F161-A165 HydrophobicContact CE1-CB 4.5Å; F161-A165 WeakPolarHBondContact O-CB 3.24Å; F161-A165 PolarHBondContact O-N 3.34Å
162	V	93.7	Very high	92.9	Very high	18 Å²	18	69.5 Å²	69.5	11%	0.109	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-38.9	179.5	173.9	0	0	0	0	111	A115 R119 P158 A165 I166	A115-V162 VanDerWaalsContact O-CG1 3.28Å; A115-V162 WeakPolarHBondContact O-CG1 3.36Å; R119-V162 HydrophobicContact CB-CG1 3.73Å; P158-V162 VanDerWaalsContact O-CG2 3.28Å; P158-V162 WeakPolarHBondContact O-CG2 3.49Å; P158-V162 PolarHBondContact O-N 3.09Å; V162-A165 PolarHBondContact O-N 2.56Å; V162-I166 HydrophobicContact CG1-CD1 4.09Å; V162-I166 VanDerWaalsContact O-CG1 3.28Å; V162-I166 WeakPolarHBondContact O-CG1 3.46Å; V162-I166 PolarHBondContact O-N 3.11Å
163	N	90.6	Very high	93	Very high	69 Å²	69	65 Å²	65	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-64.3	-42.8	177.4	-171.9	70.3	0	0	0	112.5	A159 T160 F161 I166 R167	A159-N163 WeakPolarHBondContact O-CB 3.42Å; A159-N163 PolarHBondContact O-N 2.85Å; A159-N163 VanDerWaalsContact O-N 3.08Å; T160-N163 PolarHBondContact O-N 3.47Å; F161-N163 VanDerWaalsContact C-N 3.28Å; F161-N163 PolarHBondContact O-N 3.07Å; N163-I166 PolarHBondContact O-N 2.96Å; N163-R167 PolarHBondContact O-N 3.18Å
164	S	93.8	Very high	93.1	Very high	77 Å²	77	60.5 Å²	60.5	54%	0.538	32%	0.322	S	S	.	.	H	α-helix	trans	-67	-39.1	174.6	-62.2	0	0	0	0	111.8	T160 F161 I166 R167 Y168	T160-S164 PolarHBondContact O-N 2.98Å; T160-S164 PolarHBondContact O-OG 2.86Å; F161-S164 PolarHBondContact O-N 3.3Å; S164-I166 PolarHBondContact O-N 2.87Å; S164-R167 PolarHBondContact O-N 2.73Å; S164-Y168 PolarHBondContact O-N 3.38Å
165	A	94.1	Very high	93.2	Very high	23 Å²	23	59.4 Å²	59.4	19%	0.19	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-41.2	176.6	0	0	0	0	0	111.8	F161 V162 R167 Y168 L169	F161-A165 HydrophobicContact CE1-CB 4.5Å; F161-A165 WeakPolarHBondContact O-CB 3.24Å; F161-A165 PolarHBondContact O-N 3.34Å; V162-A165 PolarHBondContact O-N 2.56Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-R167 PolarHBondContact O-N 2.7Å; A165-Y168 PolarHBondContact O-N 3.14Å; A165-L169 VanDerWaalsContact O-CB 3.28Å; A165-L169 WeakPolarHBondContact O-CB 3.24Å; A165-L169 WeakPolarHBondContact O-CG 3.05Å; A165-L169 PolarHBondContact O-N 3.22Å
166	I	92.7	Very high	93.2	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-56	-49.1	174.3	-72.7	163.5	0	0	0	110.4	H112 A115 L116 R119 V162 N163 S164 L169 E170	H112-I166 PolarHBondContact CE1-O 3.24Å; H112-I166 VanDerWaalsContact CE1-O 3.27Å; H112-I166 PolarHBondContact ND1-O 3.37Å; A115-I166 HydrophobicContact CB-CG1 3.91Å; L116-I166 HydrophobicContact CD2-CD1 4Å; L116-I166 HydrophobicContact CD2-CG1 4.1Å; L116-I166 HydrophobicContact CD2-CG2 3.84Å; R119-I166 HydrophobicContact CB-CD1 3.71Å; R119-I166 HydrophobicContact CG-CD1 3.98Å; V162-I166 HydrophobicContact CG1-CD1 4.09Å; V162-I166 VanDerWaalsContact O-CG1 3.28Å; V162-I166 WeakPolarHBondContact O-CG1 3.46Å; V162-I166 PolarHBondContact O-N 3.11Å; N163-I166 PolarHBondContact O-N 2.96Å; S164-I166 PolarHBondContact O-N 2.87Å; I166-L169 PolarHBondContact O-N 3.02Å; I166-E170 WeakPolarHBondContact O-CB 3.43Å; I166-E170 PolarHBondContact O-N 3.22Å
167	R	92.1	Very high	93.4	Very high	117 Å²	117	57.9 Å²	57.9	44%	0.442	31%	0.306	S	S	.	.	H	α-helix	trans	-67.1	-40.2	-179.6	-69	-65.8	171.5	-173.4	4.4	113	N163 S164 A165 E170 C171	N163-R167 PolarHBondContact O-N 3.18Å; S164-R167 PolarHBondContact O-N 2.73Å; A165-R167 VanDerWaalsContact C-N 3.34Å; A165-R167 PolarHBondContact O-N 2.7Å; R167-E170 IonicContact CZ-OE2 2.71Å; R167-E170 IonicContact NE-OE2 2.91Å; R167-E170 IonicContact NH1-OE1 2.77Å; R167-E170 PolarHBondContact NH1-OE1 3.24Å; R167-E170 IonicContact NH1-OE2 3.69Å; R167-E170 PolarHBondContact NH1-OE2 3.45Å; R167-E170 PolarHBondContact O-N 3.07Å; R167-C171 PolarHBondContact O-N 2.98Å; R167-C171 VanDerWaalsContact O-N 3.15Å; R167-C171 PolarHBondContact O-SG 3.36Å
168	Y	94.9	Very high	93.6	Very high	139 Å²	139	57.4 Å²	57.4	55%	0.545	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-47.3	173.6	173.4	-98.1	0	0	0	111.9	S164 A165 E170 C171 K172	S164-Y168 PolarHBondContact O-N 3.38Å; A165-Y168 PolarHBondContact O-N 3.14Å; Y168-E170 VanDerWaalsContact C-N 3.35Å; Y168-E170 PolarHBondContact O-N 3.41Å; Y168-C171 PolarHBondContact O-N 3.14Å; Y168-K172 HydrophobicContact CE1-CD 3.81Å; Y168-K172 WeakPolarHBondContact O-CB 3.14Å; Y168-K172 PolarHBondContact O-N 2.82Å; Y168-K172 PolarHBondContact OH-NZ 2.77Å
169	L	94.4	Very high	93.6	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-66	-37.2	-179.5	-71.4	169.9	0	0	0	111.9	L111 H112 A115 A165 I166 K172 L173	L111-L169 HydrophobicContact CD2-CD1 4.4Å; L111-L169 HydrophobicContact CD2-CD2 3.7Å; L111-L169 HydrophobicContact CG-CD1 3.97Å; L111-L169 HydrophobicContact CG-CD2 4.08Å; H112-L169 HydrophobicContact CB-CB 4.1Å; H112-L169 HydrophobicContact CB-CD1 4.36Å; H112-L169 WeakPolarHBondContact ND1-CB 3.38Å; A115-L169 HydrophobicContact CB-CD1 4.1Å; A165-L169 VanDerWaalsContact O-CB 3.28Å; A165-L169 WeakPolarHBondContact O-CB 3.24Å; A165-L169 WeakPolarHBondContact O-CG 3.05Å; A165-L169 PolarHBondContact O-N 3.22Å; I166-L169 PolarHBondContact O-N 3.02Å; L169-K172 PolarHBondContact O-N 3.14Å; L169-L173 VanDerWaalsContact O-CB 3.23Å; L169-L173 WeakPolarHBondContact O-CB 3.36Å; L169-L173 PolarHBondContact O-N 3.14Å
170	E	93.9	Very high	93.7	Very high	17 Å²	17	62 Å²	62	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-51.9	173.8	-176.3	-172.8	148.7	0	0	111.6	I166 R167 Y168 K172 L173 A174 H225 S228	I166-E170 WeakPolarHBondContact O-CB 3.43Å; I166-E170 PolarHBondContact O-N 3.22Å; R167-E170 IonicContact CZ-OE2 2.71Å; R167-E170 IonicContact NE-OE2 2.91Å; R167-E170 IonicContact NH1-OE1 2.77Å; R167-E170 PolarHBondContact NH1-OE1 3.24Å; R167-E170 IonicContact NH1-OE2 3.69Å; R167-E170 PolarHBondContact NH1-OE2 3.45Å; R167-E170 PolarHBondContact O-N 3.07Å; Y168-E170 VanDerWaalsContact C-N 3.35Å; Y168-E170 PolarHBondContact O-N 3.41Å; E170-K172 VanDerWaalsContact C-N 3.33Å; E170-K172 PolarHBondContact O-N 2.69Å; E170-L173 PolarHBondContact O-N 3.22Å; E170-A174 PolarHBondContact O-N 3.46Å; E170-H225 IonicContact OE1-CD2 2.78Å; E170-H225 PolarHBondContact OE1-CD2 3.35Å; E170-H225 IonicContact OE1-CG 3.77Å; E170-S228 PolarHBondContact OE2-OG 2.85Å
171	C	94.6	Very high	93.8	Very high	88 Å²	88	58 Å²	58	60%	0.595	29%	0.286	S	S	*	.	H	α-helix	trans	-61.9	-40.4	177.2	-69.7	0	0	0	0	112.2	R167 Y168 A174 L175	R167-C171 PolarHBondContact O-N 2.98Å; R167-C171 VanDerWaalsContact O-N 3.15Å; R167-C171 PolarHBondContact O-SG 3.36Å; Y168-C171 PolarHBondContact O-N 3.14Å; C171-A174 PolarHBondContact O-N 3.44Å; C171-L175 PolarHBondContact O-N 3.09Å
172	K	94.7	Very high	93.7	Very high	91 Å²	91	51.9 Å²	51.9	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-67.6	-37.1	179.2	-165.8	162.7	-169.6	171.7	0	112.1	L108 Y168 L169 E170 A176	L108-K172 HydrophobicContact CD1-CG 4.39Å; L108-K172 HydrophobicContact CD2-CD 4.2Å; L108-K172 HydrophobicContact CD2-CG 4.34Å; Y168-K172 HydrophobicContact CE1-CD 3.81Å; Y168-K172 WeakPolarHBondContact O-CB 3.14Å; Y168-K172 PolarHBondContact O-N 2.82Å; Y168-K172 PolarHBondContact OH-NZ 2.77Å; L169-K172 PolarHBondContact O-N 3.14Å; E170-K172 VanDerWaalsContact C-N 3.33Å; E170-K172 PolarHBondContact O-N 2.69Å; K172-A176 WeakPolarHBondContact O-CB 3.38Å; K172-A176 PolarHBondContact O-N 3.15Å
173	L	93.8	Very high	93.7	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-45.4	174.2	-174	66.5	0	0	0	111.1	L108 L109 L169 E170 L175 A176 F177 A224	L108-L173 HydrophobicContact CB-CD1 4.21Å; L109-L173 HydrophobicContact CB-CD1 4.48Å; L109-L173 HydrophobicContact CD1-CD2 3.8Å; L169-L173 VanDerWaalsContact O-CB 3.23Å; L169-L173 WeakPolarHBondContact O-CB 3.36Å; L169-L173 PolarHBondContact O-N 3.14Å; E170-L173 PolarHBondContact O-N 3.22Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 3.29Å; L173-A176 PolarHBondContact O-N 3.46Å; L173-F177 HydrophobicContact CD1-CD1 4.39Å; L173-F177 HydrophobicContact CD1-CE1 3.7Å; L173-F177 HydrophobicContact CD1-CE2 3.97Å; L173-F177 HydrophobicContact CD1-CZ 3.46Å; L173-F177 VanDerWaalsContact CD1-CZ 3.46Å; L173-F177 HydrophobicContact CD2-CE2 3.9Å; L173-F177 HydrophobicContact CD2-CZ 3.99Å; L173-F177 HydrophobicContact CG-CD2 4.16Å; L173-F177 HydrophobicContact CG-CE1 4.24Å; L173-F177 HydrophobicContact CG-CE2 3.58Å; L173-F177 HydrophobicContact CG-CZ 3.63Å; L173-F177 WeakPolarHBondContact O-CG 3.33Å; L173-F177 PolarHBondContact O-N 3.17Å; L173-A224 HydrophobicContact CB-CB 4.48Å; L173-A224 HydrophobicContact CD2-CB 4.38Å; L173-A224 HydrophobicContact CG-CB 4.44Å
174	A	94.8	Very high	93.8	Very high	12 Å²	12	55.5 Å²	55.5	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-57.5	-43.4	175.7	0	0	0	0	0	112.1	E170 C171 R178 Q221 A224	E170-A174 PolarHBondContact O-N 3.46Å; C171-A174 PolarHBondContact O-N 3.44Å; A174-R178 WeakPolarHBondContact O-CB 3.28Å; A174-R178 PolarHBondContact O-N 2.97Å; A174-Q221 HydrophobicContact CB-CG 4.38Å; A174-A224 HydrophobicContact CB-CB 3.72Å
175	L	94.9	Very high	93.8	Very high	97 Å²	97	51.9 Å²	51.9	51%	0.508	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-44.5	176.5	-178.3	61.6	0	0	0	111.8	C171 L173 F177 R178 T179	C171-L175 PolarHBondContact O-N 3.09Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 3.29Å; L175-F177 PolarHBondContact O-N 3.28Å; L175-R178 PolarHBondContact O-N 3.1Å; L175-T179 PolarHBondContact O-N 3.45Å; L175-T179 PolarHBondContact O-OG1 2.87Å; L175-T179 VanDerWaalsContact O-OG1 3.12Å
176	A	93.2	Very high	93.8	Very high	20 Å²	20	56 Å²	56	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-43.8	178.9	0	0	0	0	0	112	E105 L108 K172 L173 R180	E105-A176 HydrophobicContact CG-CB 4.29Å; L108-A176 HydrophobicContact CD1-CB 4.19Å; K172-A176 WeakPolarHBondContact O-CB 3.38Å; K172-A176 PolarHBondContact O-N 3.15Å; L173-A176 PolarHBondContact O-N 3.46Å; A176-R180 WeakPolarHBondContact O-CG 3.25Å; A176-R180 PolarHBondContact O-N 2.99Å
177	F	93.9	Very high	93.8	Very high	5 Å²	5	65 Å²	65	2%	0.022	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-45.3	173.4	-68.1	-19.3	0	0	0	111.9	L97 F98 E105 L173 L175 R180 L181 V223	L97-F177 HydrophobicContact CB-CD1 4.47Å; L97-F177 HydrophobicContact CD2-CB 3.73Å; L97-F177 HydrophobicContact CD2-CD1 3.84Å; L97-F177 HydrophobicContact CD2-CG 3.88Å; F98-F177 HydrophobicContact CE1-CE1 4.12Å; F98-F177 HydrophobicContact CE1-CZ 4.49Å; F98-F177 HydrophobicContact CE2-CE1 4.22Å; F98-F177 HydrophobicContact CE2-CZ 4.24Å; F98-F177 AromaticContact CZ-CE1 3.63Å; F98-F177 HydrophobicContact CZ-CE1 3.63Å; F98-F177 AromaticContact CZ-CZ 3.67Å; F98-F177 HydrophobicContact CZ-CZ 3.67Å; E105-F177 HydrophobicContact CB-CE1 4.31Å; L173-F177 HydrophobicContact CD1-CD1 4.39Å; L173-F177 HydrophobicContact CD1-CE1 3.7Å; L173-F177 HydrophobicContact CD1-CE2 3.97Å; L173-F177 HydrophobicContact CD1-CZ 3.46Å; L173-F177 VanDerWaalsContact CD1-CZ 3.46Å; L173-F177 HydrophobicContact CD2-CE2 3.9Å; L173-F177 HydrophobicContact CD2-CZ 3.99Å; L173-F177 HydrophobicContact CG-CD2 4.16Å; L173-F177 HydrophobicContact CG-CE1 4.24Å; L173-F177 HydrophobicContact CG-CE2 3.58Å; L173-F177 HydrophobicContact CG-CZ 3.63Å; L173-F177 WeakPolarHBondContact O-CG 3.33Å; L173-F177 PolarHBondContact O-N 3.17Å; L175-F177 PolarHBondContact O-N 3.28Å; F177-R180 PolarHBondContact O-N 3.17Å; F177-L181 PolarHBondContact O-N 3.35Å; F177-V223 HydrophobicContact CD2-CG1 4.31Å; F177-V223 HydrophobicContact CE2-CG1 4.01Å
178	R	94.8	Very high	93.8	Very high	104 Å²	104	60.2 Å²	60.2	39%	0.392	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-50.6	178.2	-168.5	-178.2	94.4	143.9	4.7	111.7	A174 L175 R180 L181 V182 S220	A174-R178 WeakPolarHBondContact O-CB 3.28Å; A174-R178 PolarHBondContact O-N 2.97Å; L175-R178 PolarHBondContact O-N 3.1Å; R178-R180 VanDerWaalsContact C-N 3.27Å; R178-R180 PolarHBondContact O-N 2.99Å; R178-L181 PolarHBondContact O-N 2.86Å; R178-V182 HydrophobicContact CG-CG2 4.08Å; R178-V182 WeakPolarHBondContact O-CB 3.49Å; R178-V182 VanDerWaalsContact O-CG2 3.28Å; R178-V182 WeakPolarHBondContact O-CG2 3.45Å; R178-V182 PolarHBondContact O-N 3.28Å; R178-S220 WeakPolarHBondContact CA-OG 3.33Å; R178-S220 PolarHBondContact N-OG 3.44Å
179	T	93.8	Very high	93.8	Very high	65 Å²	65	55.3 Å²	55.3	40%	0.399	26%	0.262	S	S	.	.	H	α-helix	trans	-58.5	-40.2	-179	-61.5	0	0	0	0	111.5	L175 N183	L175-T179 PolarHBondContact O-N 3.45Å; L175-T179 PolarHBondContact O-OG1 2.87Å; L175-T179 VanDerWaalsContact O-OG1 3.12Å; T179-N183 VanDerWaalsContact O-CB 3.28Å; T179-N183 WeakPolarHBondContact O-CB 3.36Å; T179-N183 PolarHBondContact O-N 3.13Å; T179-N183 PolarHBondContact O-ND2 3.36Å; T179-N183 PolarHBondContact O-OD1 3.47Å
180	R	92.2	Very high	93.6	Very high	105 Å²	105	60.9 Å²	60.9	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-66.3	-49.4	176.9	-73.3	-67.5	-173	169.4	6	112.8	E105 A176 F177 R178 N183 H184	E105-R180 IonicContact OE1-CZ 2.72Å; E105-R180 VanDerWaalsContact OE1-CZ 3.28Å; E105-R180 IonicContact OE1-NE 2.87Å; E105-R180 PolarHBondContact OE1-NE 3.08Å; E105-R180 IonicContact OE1-NH2 3.75Å; E105-R180 PolarHBondContact OE1-NH2 2.78Å; E105-R180 IonicContact OE2-NH2 3.01Å; A176-R180 WeakPolarHBondContact O-CG 3.25Å; A176-R180 PolarHBondContact O-N 2.99Å; F177-R180 PolarHBondContact O-N 3.17Å; R178-R180 VanDerWaalsContact C-N 3.27Å; R178-R180 PolarHBondContact O-N 2.99Å; R180-N183 PolarHBondContact O-N 2.89Å; R180-H184 WeakPolarHBondContact O-CB 3.45Å; R180-H184 PolarHBondContact O-N 3.03Å
181	L	93.6	Very high	93.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-43.6	-179.8	-75.9	168.9	0	0	0	111.8	I96 L97 F177 R178 H184 A185 V216 F219 F438	I96-L181 HydrophobicContact CB-CD2 4.46Å; I96-L181 HydrophobicContact CG2-CD2 4.07Å; L97-L181 HydrophobicContact CD2-CD1 3.81Å; L97-L181 HydrophobicContact CD2-CD2 4.23Å; L97-L181 HydrophobicContact CD2-CG 3.75Å; F177-L181 PolarHBondContact O-N 3.35Å; R178-L181 PolarHBondContact O-N 2.86Å; L181-H184 PolarHBondContact O-N 2.83Å; L181-A185 VanDerWaalsContact O-CB 3.23Å; L181-A185 WeakPolarHBondContact O-CB 3.44Å; L181-A185 PolarHBondContact O-N 3.3Å; L181-V216 HydrophobicContact CB-CG1 3.63Å; L181-V216 HydrophobicContact CD1-CG1 4.25Å; L181-F219 HydrophobicContact CD1-CD1 3.55Å; L181-F219 HydrophobicContact CD1-CE1 3.7Å; L181-F438 HydrophobicContact CD2-CE2 4.22Å; L181-F438 HydrophobicContact CD2-CZ 4.44Å
182	V	94.2	Very high	93.1	Very high	23 Å²	23	63.4 Å²	63.4	14%	0.139	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-45.6	178.3	172.1	0	0	0	0	110.9	R178 H184 A185 Y186 V216	R178-V182 HydrophobicContact CG-CG2 4.08Å; R178-V182 WeakPolarHBondContact O-CB 3.49Å; R178-V182 VanDerWaalsContact O-CG2 3.28Å; R178-V182 WeakPolarHBondContact O-CG2 3.45Å; R178-V182 PolarHBondContact O-N 3.28Å; V182-H184 VanDerWaalsContact C-N 3.3Å; V182-H184 PolarHBondContact O-N 3.25Å; V182-A185 PolarHBondContact O-N 3.05Å; V182-Y186 HydrophobicContact CG1-CD1 4.43Å; V182-Y186 HydrophobicContact CG1-CD2 3.74Å; V182-Y186 HydrophobicContact CG1-CE1 4.13Å; V182-Y186 HydrophobicContact CG1-CE2 3.37Å; V182-Y186 HydrophobicContact CG1-CG 4.26Å; V182-Y186 WeakPolarHBondContact O-CB 3.31Å; V182-Y186 PolarHBondContact O-N 3.06Å; V182-V216 HydrophobicContact CG2-CG1 3.75Å
183	N	93.3	Very high	92.8	Very high	96 Å²	96	62.4 Å²	62.4	51%	0.513	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-39.8	177.9	-71.9	-7.3	0	0	0	112	T179 R180 R187	T179-N183 VanDerWaalsContact O-CB 3.28Å; T179-N183 WeakPolarHBondContact O-CB 3.36Å; T179-N183 PolarHBondContact O-N 3.13Å; T179-N183 PolarHBondContact O-ND2 3.36Å; T179-N183 PolarHBondContact O-OD1 3.47Å; R180-N183 PolarHBondContact O-N 2.89Å; N183-R187 WeakPolarHBondContact O-CB 3.3Å; N183-R187 PolarHBondContact O-N 3.36Å; N183-R187 VanDerWaalsContact O-N 3.14Å
184	H	93.1	Very high	92.6	Very high	66 Å²	66	62.3 Å²	62.3	31%	0.306	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-45.3	174.7	-173.4	62.2	0	0	0	111.4	I96 R180 L181 V182 R187 T188 F438	I96-H184 HydrophobicContact CG2-CB 4.07Å; R180-H184 WeakPolarHBondContact O-CB 3.45Å; R180-H184 PolarHBondContact O-N 3.03Å; L181-H184 PolarHBondContact O-N 2.83Å; V182-H184 VanDerWaalsContact C-N 3.3Å; V182-H184 PolarHBondContact O-N 3.25Å; H184-R187 PolarHBondContact O-N 3.21Å; H184-T188 PolarHBondContact O-N 3.17Å; H184-T188 PolarHBondContact O-OG1 3.01Å; H184-T188 VanDerWaalsContact O-OG1 3.06Å; H184-F438 AromaticContact CD2-CE1 3.47Å; H184-F438 VanDerWaalsContact CD2-CE1 3.47Å; H184-F438 WeakPolarHBondContact CD2-CE1 3.34Å; H184-F438 AromaticContact CD2-CZ 3.96Å
185	A	93.1	Very high	92.4	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-44.7	178.8	0	0	0	0	0	112.5	L181 V182 T188 Y189 L212 M437 F438	L181-A185 VanDerWaalsContact O-CB 3.23Å; L181-A185 WeakPolarHBondContact O-CB 3.44Å; L181-A185 PolarHBondContact O-N 3.3Å; V182-A185 PolarHBondContact O-N 3.05Å; A185-T188 PolarHBondContact O-N 3.32Å; A185-Y189 WeakPolarHBondContact O-CB 3.42Å; A185-Y189 PolarHBondContact O-N 3.44Å; A185-L212 HydrophobicContact CB-CD2 3.58Å; A185-M437 HydrophobicContact CB-CE 4.05Å; A185-F438 HydrophobicContact CB-CE1 3.82Å; A185-F438 HydrophobicContact CB-CZ 3.83Å
186	Y	94.1	Very high	92.2	Very high	109 Å²	109	63.6 Å²	63.6	43%	0.427	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-43.1	175.9	-71.4	-14.3	0	0	0	112.2	V182 T188 Y189 F190 L212	V182-Y186 HydrophobicContact CG1-CD1 4.43Å; V182-Y186 HydrophobicContact CG1-CD2 3.74Å; V182-Y186 HydrophobicContact CG1-CE1 4.13Å; V182-Y186 HydrophobicContact CG1-CE2 3.37Å; V182-Y186 HydrophobicContact CG1-CG 4.26Å; V182-Y186 WeakPolarHBondContact O-CB 3.31Å; V182-Y186 PolarHBondContact O-N 3.06Å; Y186-T188 PolarHBondContact O-N 3.06Å; Y186-Y189 PolarHBondContact O-N 2.98Å; Y186-F190 WeakPolarHBondContact O-CD2 3.46Å; Y186-F190 PolarHBondContact O-N 3.13Å; Y186-L212 HydrophobicContact CD1-CD2 4.35Å; Y186-L212 HydrophobicContact CE1-CD2 4.45Å
187	R	93.5	Very high	92	Very high	196 Å²	196	64.8 Å²	64.8	74%	0.74	29%	0.289	S	S	*	.	H	α-helix	trans	-59	-49.3	176.4	-171.5	175	-178.9	169.4	1.1	110.9	N183 H184 T191	N183-R187 WeakPolarHBondContact O-CB 3.3Å; N183-R187 PolarHBondContact O-N 3.36Å; N183-R187 VanDerWaalsContact O-N 3.14Å; H184-R187 PolarHBondContact O-N 3.21Å; R187-T191 WeakPolarHBondContact O-CB 3.21Å; R187-T191 PolarHBondContact O-N 2.88Å; R187-T191 VanDerWaalsContact O-N 3.14Å; R187-T191 PolarHBondContact O-OG1 2.66Å
188	T	92.1	Very high	91.7	Very high	16 Å²	16	64.6 Å²	64.6	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-39.6	179.5	-50.5	0	0	0	0	111.9	H184 A185 Y186 F190 T191 F441 Q445	H184-T188 PolarHBondContact O-N 3.17Å; H184-T188 PolarHBondContact O-OG1 3.01Å; H184-T188 VanDerWaalsContact O-OG1 3.06Å; A185-T188 PolarHBondContact O-N 3.32Å; Y186-T188 PolarHBondContact O-N 3.06Å; T188-F190 PolarHBondContact O-N 3.48Å; T188-T191 PolarHBondContact O-N 3.16Å; T188-F441 HydrophobicContact CG2-CB 3.77Å; T188-F441 HydrophobicContact CG2-CD2 4.26Å; T188-Q445 VanDerWaalsContact CG2-NE2 3.34Å; T188-Q445 PolarHBondContact O-NE2 3.42Å
189	Y	93.2	Very high	91.3	Very high	36 Å²	36	63 Å²	63	14%	0.141	29%	0.293	C	S	.	.	H	α-helix	trans	-67.4	-34.7	-178.2	-173.4	-114.1	0	0	0	113.7	A185 Y186 T194 Y195 P208 L212 F441	A185-Y189 WeakPolarHBondContact O-CB 3.42Å; A185-Y189 PolarHBondContact O-N 3.44Å; Y186-Y189 PolarHBondContact O-N 2.98Å; Y189-T194 CarbonylContact O-C 3.54Å; Y189-T194 WeakPolarHBondContact O-CB 3.46Å; Y189-Y195 PolarHBondContact O-N 2.76Å; Y189-P208 HydrophobicContact CE2-CB 4.42Å; Y189-L212 HydrophobicContact CD1-CD1 4Å; Y189-L212 HydrophobicContact CD2-CD1 4.19Å; Y189-L212 HydrophobicContact CE1-CD1 4.03Å; Y189-L212 HydrophobicContact CE2-CD1 4.2Å; Y189-L212 HydrophobicContact CG-CD1 4.08Å; Y189-F441 HydrophobicContact CD2-CD1 4.43Å; Y189-F441 AromaticContact CD2-CE1 3.71Å; Y189-F441 HydrophobicContact CD2-CE1 3.71Å; Y189-F441 AromaticContact CD2-CE2 3.85Å; Y189-F441 HydrophobicContact CD2-CE2 3.85Å; Y189-F441 AromaticContact CD2-CZ 3.37Å; Y189-F441 HydrophobicContact CD2-CZ 3.37Å; Y189-F441 HydrophobicContact CE2-CE1 4.13Å; Y189-F441 HydrophobicContact CE2-CZ 4.01Å; Y189-F441 HydrophobicContact CG-CE2 4.29Å; Y189-F441 HydrophobicContact CG-CZ 4.19Å
190	F	91.6	Very high	90.9	Very high	130 Å²	130	63.4 Å²	63.4	57%	0.57	29%	0.293	S	S	*	.	H	α-helix	trans	-93.6	-10	179.1	-75.3	-75.6	0	0	0	114.3	Y186 T188 Y195	Y186-F190 WeakPolarHBondContact O-CD2 3.46Å; Y186-F190 PolarHBondContact O-N 3.13Å; T188-F190 PolarHBondContact O-N 3.48Å; F190-Y195 AromaticContact CD1-CD1 3.97Å; F190-Y195 HydrophobicContact CD1-CD1 3.97Å; F190-Y195 HydrophobicContact CD1-CE1 4.43Å; F190-Y195 HydrophobicContact CE1-CD1 4.38Å
191	T	91.7	Very high	90.3	Very high	55 Å²	55	58.5 Å²	58.5	34%	0.337	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-69.9	137.4	173.8	-59.7	0	0	0	0	110.3	R187 T188 Q193 T194	R187-T191 WeakPolarHBondContact O-CB 3.21Å; R187-T191 PolarHBondContact O-N 2.88Å; R187-T191 VanDerWaalsContact O-N 3.14Å; R187-T191 PolarHBondContact O-OG1 2.66Å; T188-T191 PolarHBondContact O-N 3.16Å; T191-Q193 PolarHBondContact O-N 3.5Å; T191-Q193 VanDerWaalsContact O-N 3.1Å; T191-T194 VanDerWaalsContact O-CB 3.31Å; T191-T194 WeakPolarHBondContact O-CB 3.38Å; T191-T194 PolarHBondContact O-N 2.88Å; T191-T194 PolarHBondContact O-OG1 3.27Å
192	D	85.8	Confident	89.7	Confident	104 Å²	104	58.8 Å²	58.8	56%	0.556	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	49.1	37.3	175.3	-57.6	-27.1	0	0	0	115.2	T194	D192-T194 PolarHBondContact O-N 3.48Å; D192-T194 VanDerWaalsContact O-N 3.15Å
193	Q	88.5	Confident	88.8	Confident	69 Å²	69	59.5 Å²	59.5	32%	0.322	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	57.8	27.9	179.9	-53.9	169.4	-12.4	0	0	113.5	T191 Y195 Y196 R197	T191-Q193 PolarHBondContact O-N 3.5Å; T191-Q193 VanDerWaalsContact O-N 3.1Å; Q193-Y195 HydrophobicContact CB-CE1 4.32Å; Q193-Y195 PolarHBondContact O-N 3.03Å; Q193-Y195 VanDerWaalsContact O-N 3.16Å; Q193-Y196 PolarHBondContact O-N 3.1Å; Q193-R197 PolarHBondContact O-N 3.48Å
194	T	89.7	Confident	88.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.2	-36.1	-178.5	-61.5	0	0	0	0	111.9	Y189 T191 D192 Y196 R197 V198 F441 V444 Q445	Y189-T194 CarbonylContact O-C 3.54Å; Y189-T194 WeakPolarHBondContact O-CB 3.46Å; T191-T194 VanDerWaalsContact O-CB 3.31Å; T191-T194 WeakPolarHBondContact O-CB 3.38Å; T191-T194 PolarHBondContact O-N 2.88Å; T191-T194 PolarHBondContact O-OG1 3.27Å; D192-T194 PolarHBondContact O-N 3.48Å; D192-T194 VanDerWaalsContact O-N 3.15Å; T194-Y196 VanDerWaalsContact C-N 3.3Å; T194-Y196 PolarHBondContact O-N 3.15Å; T194-R197 PolarHBondContact O-N 3.07Å; T194-V198 HydrophobicContact CG2-CG2 3.65Å; T194-V198 WeakPolarHBondContact O-CB 3.31Å; T194-V198 VanDerWaalsContact O-CG2 3.25Å; T194-V198 WeakPolarHBondContact O-CG2 3.46Å; T194-V198 PolarHBondContact O-N 3.43Å; T194-F441 HydrophobicContact CG2-CB 4.17Å; T194-F441 HydrophobicContact CG2-CD1 4.36Å; T194-F441 HydrophobicContact CG2-CG 4.35Å; T194-V444 HydrophobicContact CG2-CG1 4.17Å; T194-Q445 HydrophobicContact CG2-CG 4.42Å; T194-Q445 WeakPolarHBondContact OG1-CG 3.27Å; T194-Q445 PolarHBondContact OG1-NE2 3.09Å
195	Y	91.2	Very high	87.6	Confident	97 Å²	97	55.8 Å²	55.8	38%	0.38	27%	0.265	S	S	.	.	H	α-helix	trans	-54.5	-41.4	175.5	71.4	-88.9	0	0	0	113.9	Y189 F190 Q193 S199	Y189-Y195 PolarHBondContact O-N 2.76Å; F190-Y195 AromaticContact CD1-CD1 3.97Å; F190-Y195 HydrophobicContact CD1-CD1 3.97Å; F190-Y195 HydrophobicContact CD1-CE1 4.43Å; F190-Y195 HydrophobicContact CE1-CD1 4.38Å; Q193-Y195 HydrophobicContact CB-CE1 4.32Å; Q193-Y195 PolarHBondContact O-N 3.03Å; Q193-Y195 VanDerWaalsContact O-N 3.16Å; Y195-S199 PolarHBondContact O-N 3.44Å
196	Y	90.2	Very high	86.5	Confident	38 Å²	38	60 Å²	60	15%	0.149	30%	0.3	C	S	.	.	H	α-helix	trans	-71.6	-47.3	177.6	174	-90.5	0	0	0	110.3	Q193 T194 V198 S199 N200 L536 W537	Q193-Y196 PolarHBondContact O-N 3.1Å; T194-Y196 VanDerWaalsContact C-N 3.3Å; T194-Y196 PolarHBondContact O-N 3.15Å; Y196-V198 PolarHBondContact O-N 2.89Å; Y196-S199 PolarHBondContact O-N 3.02Å; Y196-N200 VanDerWaalsContact CD2-ND2 3.3Å; Y196-N200 WeakPolarHBondContact CD2-ND2 3.36Å; Y196-N200 HydrophobicContact CE1-CB 4.35Å; Y196-N200 HydrophobicContact CE2-CB 4.38Å; Y196-N200 WeakPolarHBondContact CE2-ND2 3.4Å; Y196-N200 WeakPolarHBondContact O-CB 3.49Å; Y196-N200 PolarHBondContact O-N 3.16Å; Y196-L536 HydrophobicContact CD1-CB 4.34Å; Y196-L536 HydrophobicContact CD1-CD2 3.96Å; Y196-L536 HydrophobicContact CD2-CD2 4.26Å; Y196-L536 HydrophobicContact CE1-CB 3.85Å; Y196-L536 HydrophobicContact CE1-CD2 4.18Å; Y196-L536 HydrophobicContact CE1-CG 4.46Å; Y196-L536 HydrophobicContact CE2-CD1 4.38Å; Y196-L536 HydrophobicContact CE2-CD2 4.43Å; Y196-L536 HydrophobicContact CG-CD2 4.02Å; Y196-W537 PolarHBondContact OH-NE1 3.07Å
197	R	88.3	Confident	85.6	Confident	46 Å²	46	57.4 Å²	57.4	17%	0.174	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-42	-175.6	-66.7	178.9	178.2	173.9	5.9	112	Q193 T194 S199 M201 D202 V444 Y449	Q193-R197 PolarHBondContact O-N 3.48Å; T194-R197 PolarHBondContact O-N 3.07Å; R197-S199 PolarHBondContact O-N 3.24Å; R197-M201 HydrophobicContact CB-SD 4.34Å; R197-M201 HydrophobicContact CG-SD 4Å; R197-M201 WeakPolarHBondContact O-CA 3.27Å; R197-M201 VanDerWaalsContact O-CB 3.23Å; R197-M201 WeakPolarHBondContact O-CB 3.36Å; R197-M201 PolarHBondContact O-N 2.84Å; R197-D202 PolarHBondContact O-N 3.36Å; R197-V444 HydrophobicContact CB-CG1 3.27Å; R197-V444 HydrophobicContact CG-CG1 4.26Å; R197-Y449 HydrophobicContact CB-CE1 4.15Å; R197-Y449 WeakPolarHBondContact CD-OH 3.42Å; R197-Y449 HydrophobicContact CG-CE1 4.44Å
198	V	88.6	Confident	85.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-39.7	177	171.2	0	0	0	0	111.8	T194 Y196 D202 L205 P208 V440 F441 V444	T194-V198 HydrophobicContact CG2-CG2 3.65Å; T194-V198 WeakPolarHBondContact O-CB 3.31Å; T194-V198 VanDerWaalsContact O-CG2 3.25Å; T194-V198 WeakPolarHBondContact O-CG2 3.46Å; T194-V198 PolarHBondContact O-N 3.43Å; Y196-V198 PolarHBondContact O-N 2.89Å; V198-D202 VanDerWaalsContact O-O 3.05Å; V198-L205 HydrophobicContact CG1-CB 4.31Å; V198-L205 HydrophobicContact CG1-CD1 3.79Å; V198-P208 HydrophobicContact CG1-CB 4.36Å; V198-V440 HydrophobicContact CG1-CG1 4.41Å; V198-V440 HydrophobicContact CG2-CG1 4.39Å; V198-F441 HydrophobicContact CG1-CD1 4.44Å; V198-F441 HydrophobicContact CG1-CE1 4.09Å; V198-F441 HydrophobicContact CG2-CD1 3.66Å; V198-F441 HydrophobicContact CG2-CE1 4.02Å; V198-V444 HydrophobicContact CG2-CB 4.23Å; V198-V444 HydrophobicContact CG2-CG1 4.12Å; V198-V444 HydrophobicContact CG2-CG2 4.09Å
199	S	85.6	Confident	84.7	Confident	71 Å²	71	52.8 Å²	52.8	50%	0.497	28%	0.284	S	S	.	.	H	α-helix	trans	-79.8	-35.6	-176.8	-174.2	0	0	0	0	113.3	Y195 Y196 R197	Y195-S199 PolarHBondContact O-N 3.44Å; Y196-S199 PolarHBondContact O-N 3.02Å; R197-S199 PolarHBondContact O-N 3.24Å
200	N	84.5	Confident	84.2	Confident	73 Å²	73	52.9 Å²	52.9	39%	0.39	29%	0.286	S	S	.	.	H	α-helix	trans	-110	-27	-168.6	-68.4	-18.5	0	0	0	114	Y196 R451	Y196-N200 VanDerWaalsContact CD2-ND2 3.3Å; Y196-N200 WeakPolarHBondContact CD2-ND2 3.36Å; Y196-N200 HydrophobicContact CE1-CB 4.35Å; Y196-N200 HydrophobicContact CE2-CB 4.38Å; Y196-N200 WeakPolarHBondContact CE2-ND2 3.4Å; Y196-N200 WeakPolarHBondContact O-CB 3.49Å; Y196-N200 PolarHBondContact O-N 3.16Å; N200-R451 PolarHBondContact O-NH1 2.84Å; N200-R451 VanDerWaalsContact O-NH1 3.12Å
201	M	80.8	Confident	83.9	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.015	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-41	-177.9	-58.8	-175.4	63.7	0	0	113.1	R197 Y449 P497 P538	R197-M201 HydrophobicContact CB-SD 4.34Å; R197-M201 HydrophobicContact CG-SD 4Å; R197-M201 WeakPolarHBondContact O-CA 3.27Å; R197-M201 VanDerWaalsContact O-CB 3.23Å; R197-M201 WeakPolarHBondContact O-CB 3.36Å; R197-M201 PolarHBondContact O-N 2.84Å; M201-Y449 HydrophobicContact CB-CD1 3.76Å; M201-Y449 HydrophobicContact CB-CE1 4.04Å; M201-Y449 HydrophobicContact CB-CG 4.43Å; M201-Y449 HydrophobicContact CE-CD1 3.91Å; M201-Y449 HydrophobicContact CE-CD2 3.79Å; M201-Y449 HydrophobicContact CE-CE1 3.66Å; M201-Y449 HydrophobicContact CE-CE2 3.53Å; M201-Y449 HydrophobicContact CE-CG 3.97Å; M201-Y449 VanDerWaalsContact CE-CZ 3.47Å; M201-Y449 HydrophobicContact SD-CD1 4.36Å; M201-Y449 HydrophobicContact SD-CE1 3.79Å; M201-P497 HydrophobicContact CG-CB 4.48Å; M201-P497 HydrophobicContact CG-CG 4.35Å; M201-P538 HydrophobicContact CE-CG 3.87Å
202	D	81.4	Confident	83.8	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.032	25%	0.249	C	C	.	.			trans	-92.5	143.9	176.7	-159.5	-75.3	0	0	0	111.1	R197 V198 R204 V444 K450	R197-D202 PolarHBondContact O-N 3.36Å; V198-D202 VanDerWaalsContact O-O 3.05Å; D202-R204 WeakPolarHBondContact OD1-CB 3.26Å; D202-R204 VanDerWaalsContact OD1-CG 3.27Å; D202-R204 WeakPolarHBondContact OD1-CG 3.2Å; D202-R204 IonicContact OD1-CZ 2.97Å; D202-R204 PolarHBondContact OD1-N 3.21Å; D202-R204 IonicContact OD1-NE 3.7Å; D202-R204 PolarHBondContact OD1-NE 2.99Å; D202-R204 IonicContact OD2-CZ 3.28Å; D202-R204 IonicContact OD2-NE 2.96Å; D202-R204 PolarHBondContact OD2-NE 3.46Å; D202-R204 IonicContact OD2-NH2 2.67Å; D202-R204 PolarHBondContact OD2-NH2 3.44Å; D202-V444 HydrophobicContact CB-CG2 3.94Å; D202-K450 PolarHBondContact OD2-N 3.1Å; D202-K450 VanDerWaalsContact OD2-N 3.1Å
203	G	75.2	Confident	83.8	Confident	38 Å²	38	44.3 Å²	44.3	39%	0.392	25%	0.247	S	C	.	.			trans	-111.4	2	-178.9	0	0	0	0	0	114.2	K450	G203-K450 PolarHBondContact N-O 2.91Å
204	R	81.5	Confident	83.8	Confident	67 Å²	67	42.9 Å²	42.9	25%	0.253	24%	0.241	S	C	.	.	S	Bend	trans	-77.9	-27.8	-173.2	-64.8	177.5	-74.9	174.5	-10.4	113.3	D202 V440 D443 K450	D202-R204 WeakPolarHBondContact OD1-CB 3.26Å; D202-R204 VanDerWaalsContact OD1-CG 3.27Å; D202-R204 WeakPolarHBondContact OD1-CG 3.2Å; D202-R204 IonicContact OD1-CZ 2.97Å; D202-R204 PolarHBondContact OD1-N 3.21Å; D202-R204 IonicContact OD1-NE 3.7Å; D202-R204 PolarHBondContact OD1-NE 2.99Å; D202-R204 IonicContact OD2-CZ 3.28Å; D202-R204 IonicContact OD2-NE 2.96Å; D202-R204 PolarHBondContact OD2-NE 3.46Å; D202-R204 IonicContact OD2-NH2 2.67Å; D202-R204 PolarHBondContact OD2-NH2 3.44Å; R204-V440 HydrophobicContact CB-CG2 4.08Å; R204-D443 IonicContact CZ-OD2 2.66Å; R204-D443 IonicContact NH1-OD2 3.23Å; R204-D443 PolarHBondContact NH1-OD2 2.89Å; R204-D443 IonicContact NH2-OD2 3.93Å; R204-D443 PolarHBondContact NH2-OD2 3.3Å; R204-K450 HydrophobicContact CG-CB 4.29Å
205	L	80.1	Confident	83.8	Confident	17 Å²	17	43.2 Å²	43.2	9%	0.089	24%	0.242	C	C	.	.			trans	-106.1	103.4	176.3	-68.5	173.8	0	0	0	109.3	V198 M437 V440 F441	V198-L205 HydrophobicContact CG1-CB 4.31Å; V198-L205 HydrophobicContact CG1-CD1 3.79Å; L205-M437 HydrophobicContact CD1-CG 4.26Å; L205-M437 HydrophobicContact CD2-CB 4.42Å; L205-V440 HydrophobicContact CD1-CB 3.7Å; L205-V440 HydrophobicContact CD1-CG1 3.56Å; L205-V440 HydrophobicContact CD1-CG2 4.23Å; L205-V440 HydrophobicContact CG-CB 4.07Å; L205-V440 HydrophobicContact CG-CG1 3.95Å; L205-V440 HydrophobicContact CG-CG2 4.05Å; L205-F441 HydrophobicContact CD1-CD1 4.29Å; L205-F441 HydrophobicContact CD1-CE1 3.89Å
206	A	68.6	Low	83.9	Confident	90 Å²	90	38.6 Å²	38.6	74%	0.744	22%	0.224	S	C	*	.	S	Bend	trans	-66.2	-42.2	178.4	0	0	0	0	0	112.5
207	N	76.1	Confident	84	Confident	53 Å²	53	39.3 Å²	39.3	28%	0.283	23%	0.23	S	C	.	.			trans	-133.1	84.6	-175.5	-62.8	-26.8	0	0	0	110.4	D209 Q210 S211	N207-D209 VanDerWaalsContact C-N 3.27Å; N207-D209 WeakPolarHBondContact CA-OD1 3.36Å; N207-D209 WeakPolarHBondContact CB-OD1 3.36Å; N207-D209 PolarHBondContact O-N 3.49Å; N207-Q210 HydrophobicContact CB-CB 3.94Å; N207-Q210 PolarHBondContact O-N 3.22Å; N207-S211 PolarHBondContact O-N 2.61Å; N207-S211 PolarHBondContact O-OG 3.14Å; N207-S211 VanDerWaalsContact O-OG 3.05Å
208	P	82.6	Confident	84.2	Confident	14 Å²	14	39.6 Å²	39.6	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-29.9	178.8	25.8	-32.9	0	0	0	112.6	Y189 V198 S211 L212	Y189-P208 HydrophobicContact CE2-CB 4.42Å; V198-P208 HydrophobicContact CG1-CB 4.36Å; P208-S211 PolarHBondContact O-N 3.46Å; P208-L212 WeakPolarHBondContact O-CB 3.14Å; P208-L212 WeakPolarHBondContact O-CG 3.34Å; P208-L212 PolarHBondContact O-N 3.32Å
209	D	83.3	Confident	84.4	Confident	101 Å²	101	39.6 Å²	39.6	54%	0.54	23%	0.234	S	C	.	.	H	α-helix	trans	-61	-47.1	175	64	-38.4	0	0	0	112.6	N207 S211 L212 T213	N207-D209 VanDerWaalsContact C-N 3.27Å; N207-D209 WeakPolarHBondContact CA-OD1 3.36Å; N207-D209 WeakPolarHBondContact CB-OD1 3.36Å; N207-D209 PolarHBondContact O-N 3.49Å; D209-S211 VanDerWaalsContact C-N 3.29Å; D209-S211 PolarHBondContact O-N 3.4Å; D209-L212 PolarHBondContact O-N 3.14Å; D209-T213 WeakPolarHBondContact O-CB 3.39Å; D209-T213 WeakPolarHBondContact O-CG2 3.27Å; D209-T213 PolarHBondContact O-N 3.01Å; D209-T213 PolarHBondContact O-OG1 3.2Å
210	Q	83.6	Confident	84.8	Confident	39 Å²	39	36.3 Å²	36.3	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-39.9	175.8	-175.4	177.5	5.5	0	0	110.9	N207 T213 E214 D215	N207-Q210 HydrophobicContact CB-CB 3.94Å; N207-Q210 PolarHBondContact O-N 3.22Å; Q210-T213 PolarHBondContact O-N 2.96Å; Q210-E214 HydrophobicContact CG-CB 4.34Å; Q210-E214 PolarHBondContact NE2-OE2 3.15Å; Q210-E214 VanDerWaalsContact NE2-OE2 3.1Å; Q210-E214 PolarHBondContact O-N 2.96Å; Q210-D215 PolarHBondContact O-N 3.48Å
211	S	85.3	Confident	85.3	Confident	12 Å²	12	37.4 Å²	37.4	8%	0.084	21%	0.214	C	C	.	.	I	π-helix	trans	-64.8	-45.1	179.8	-55.7	0	0	0	0	111.1	N207 P208 D209 T213 V216 M437	N207-S211 PolarHBondContact O-N 2.61Å; N207-S211 PolarHBondContact O-OG 3.14Å; N207-S211 VanDerWaalsContact O-OG 3.05Å; P208-S211 PolarHBondContact O-N 3.46Å; D209-S211 VanDerWaalsContact C-N 3.29Å; D209-S211 PolarHBondContact O-N 3.4Å; S211-T213 PolarHBondContact O-N 2.99Å; S211-V216 WeakPolarHBondContact O-CG2 3.32Å; S211-V216 PolarHBondContact O-N 2.88Å; S211-M437 VanDerWaalsContact CB-SD 3.52Å
212	L	88.1	Confident	85.8	Confident	12 Å²	12	38.4 Å²	38.4	6%	0.063	22%	0.221	C	C	.	.	I	π-helix	trans	-68	-32.6	179.7	-77	165.8	0	0	0	113.5	A185 Y186 Y189 P208 D209 M437 F441	A185-L212 HydrophobicContact CB-CD2 3.58Å; Y186-L212 HydrophobicContact CD1-CD2 4.35Å; Y186-L212 HydrophobicContact CE1-CD2 4.45Å; Y189-L212 HydrophobicContact CD1-CD1 4Å; Y189-L212 HydrophobicContact CD2-CD1 4.19Å; Y189-L212 HydrophobicContact CE1-CD1 4.03Å; Y189-L212 HydrophobicContact CE2-CD1 4.2Å; Y189-L212 HydrophobicContact CG-CD1 4.08Å; P208-L212 WeakPolarHBondContact O-CB 3.14Å; P208-L212 WeakPolarHBondContact O-CG 3.34Å; P208-L212 PolarHBondContact O-N 3.32Å; D209-L212 PolarHBondContact O-N 3.14Å; L212-M437 HydrophobicContact CD2-CE 4.12Å; L212-M437 HydrophobicContact CD2-SD 3.93Å; L212-M437 HydrophobicContact CG-SD 3.94Å; L212-F441 HydrophobicContact CD1-CZ 4.49Å; L212-F441 HydrophobicContact CD2-CE2 4.17Å; L212-F441 HydrophobicContact CD2-CZ 4.31Å; L212-F441 HydrophobicContact CG-CZ 4.44Å
213	T	87.4	Confident	86.4	Confident	84 Å²	84	39.5 Å²	39.5	52%	0.515	23%	0.227	S	C	.	.	I	π-helix	trans	-100.3	-57.8	-172.6	56.4	0	0	0	0	113.3	D209 Q210 S211 M217	D209-T213 WeakPolarHBondContact O-CB 3.39Å; D209-T213 WeakPolarHBondContact O-CG2 3.27Å; D209-T213 PolarHBondContact O-N 3.01Å; D209-T213 PolarHBondContact O-OG1 3.2Å; Q210-T213 PolarHBondContact O-N 2.96Å; S211-T213 PolarHBondContact O-N 2.99Å; T213-M217 WeakPolarHBondContact O-CB 3.44Å
214	E	88.2	Confident	87.2	Confident	40 Å²	40	37.7 Å²	37.7	19%	0.187	21%	0.209	C	C	.	.	I	π-helix	trans	-86.8	-47	-172.5	-167.7	176.7	-148.3	0	0	111.4	Q210 M217 M218 K291 R295	Q210-E214 HydrophobicContact CG-CB 4.34Å; Q210-E214 PolarHBondContact NE2-OE2 3.15Å; Q210-E214 VanDerWaalsContact NE2-OE2 3.1Å; Q210-E214 PolarHBondContact O-N 2.96Å; E214-M217 WeakPolarHBondContact O-CB 3.4Å; E214-M217 PolarHBondContact O-N 2.79Å; E214-M218 HydrophobicContact CG-CG 4.27Å; E214-M218 WeakPolarHBondContact O-CB 3.42Å; E214-M218 VanDerWaalsContact O-CG 3.26Å; E214-M218 WeakPolarHBondContact O-CG 3.38Å; E214-M218 PolarHBondContact O-N 3Å; E214-K291 IonicContact OE1-NZ 3.23Å; E214-R295 IonicContact OE1-CZ 3.56Å; E214-R295 IonicContact OE1-NH1 2.77Å; E214-R295 PolarHBondContact OE1-NH1 2.73Å; E214-R295 IonicContact OE1-NH2 3.86Å; E214-R295 PolarHBondContact OE1-NH2 3.43Å; E214-R295 IonicContact OE2-CZ 3.37Å; E214-R295 IonicContact OE2-NH1 2.98Å; E214-R295 PolarHBondContact OE2-NH1 3.19Å; E214-R295 IonicContact OE2-NH2 3.94Å
215	D	89.1	Confident	87.7	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.032	21%	0.209	C	C	.	.	I	π-helix	trans	-69	-40.9	-174.2	-74.4	-31.5	0	0	0	112.8	Q210 M217 M218 F219 R433 V434	Q210-D215 PolarHBondContact O-N 3.48Å; D215-M217 VanDerWaalsContact C-N 3.3Å; D215-M217 PolarHBondContact O-N 3.15Å; D215-M218 PolarHBondContact O-N 3.4Å; D215-F219 VanDerWaalsContact O-CB 3.26Å; D215-F219 WeakPolarHBondContact O-CB 3.47Å; D215-F219 PolarHBondContact O-N 3.36Å; D215-R433 IonicContact OD1-CZ 2.78Å; D215-R433 VanDerWaalsContact OD1-CZ 3.29Å; D215-R433 IonicContact OD1-NE 3.6Å; D215-R433 PolarHBondContact OD1-NE 3.48Å; D215-R433 IonicContact OD1-NH2 3.63Å; D215-R433 PolarHBondContact OD1-NH2 3.49Å; D215-R433 WeakPolarHBondContact OD2-CD 3.46Å; D215-R433 IonicContact OD2-CZ 3.64Å; D215-R433 IonicContact OD2-NE 3.89Å; D215-R433 PolarHBondContact OD2-NE 3.11Å; D215-V434 HydrophobicContact CB-CG2 4.05Å
216	V	92.4	Very high	88.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-38.6	173.4	172.6	0	0	0	0	111.5	L181 V182 S211 S220 V434 M437	L181-V216 HydrophobicContact CB-CG1 3.63Å; L181-V216 HydrophobicContact CD1-CG1 4.25Å; V182-V216 HydrophobicContact CG2-CG1 3.75Å; S211-V216 WeakPolarHBondContact O-CG2 3.32Å; S211-V216 PolarHBondContact O-N 2.88Å; V216-S220 WeakPolarHBondContact O-CB 3.31Å; V216-S220 PolarHBondContact O-N 3.37Å; V216-S220 PolarHBondContact O-OG 2.77Å; V216-V434 HydrophobicContact CG2-CG1 4.32Å; V216-V434 HydrophobicContact CG2-CG2 4.2Å; V216-M437 HydrophobicContact CG2-CE 4.2Å
217	M	93.4	Very high	89.3	Confident	53 Å²	53	36 Å²	36	26%	0.261	19%	0.186	S	C	.	.	H	α-helix	trans	-65	-51.7	176.1	178.4	-172.2	72.3	0	0	111.2	T213 E214 D215 F219 S220 Q221	T213-M217 WeakPolarHBondContact O-CB 3.44Å; E214-M217 WeakPolarHBondContact O-CB 3.4Å; E214-M217 PolarHBondContact O-N 2.79Å; D215-M217 VanDerWaalsContact C-N 3.3Å; D215-M217 PolarHBondContact O-N 3.15Å; M217-F219 VanDerWaalsContact C-N 3.35Å; M217-F219 PolarHBondContact O-N 3.4Å; M217-S220 PolarHBondContact O-N 3.42Å; M217-Q221 WeakPolarHBondContact O-CG 3.41Å; M217-Q221 PolarHBondContact O-N 3.39Å
218	M	91.5	Very high	89.9	Confident	52 Å²	52	33.9 Å²	33.9	26%	0.256	18%	0.176	S	C	.	.	H	α-helix	trans	-61.9	-43.5	-179.4	-67	-59.6	-71.2	0	0	110.9	E214 D215 S220 Q221 S222 Y430	E214-M218 HydrophobicContact CG-CG 4.27Å; E214-M218 WeakPolarHBondContact O-CB 3.42Å; E214-M218 VanDerWaalsContact O-CG 3.26Å; E214-M218 WeakPolarHBondContact O-CG 3.38Å; E214-M218 PolarHBondContact O-N 3Å; D215-M218 PolarHBondContact O-N 3.4Å; M218-S220 PolarHBondContact O-N 3.21Å; M218-Q221 PolarHBondContact O-N 2.92Å; M218-S222 VanDerWaalsContact O-CB 3.24Å; M218-S222 WeakPolarHBondContact O-CB 2.86Å; M218-S222 PolarHBondContact O-N 3.35Å; M218-S222 PolarHBondContact O-OG 3.13Å; M218-Y430 HydrophobicContact CB-CD1 3.62Å; M218-Y430 HydrophobicContact CB-CD2 4.16Å; M218-Y430 HydrophobicContact CB-CE1 3.44Å; M218-Y430 VanDerWaalsContact CB-CE1 3.44Å; M218-Y430 HydrophobicContact CB-CE2 3.99Å; M218-Y430 HydrophobicContact CB-CG 4.03Å; M218-Y430 HydrophobicContact CE-CE1 4.46Å; M218-Y430 HydrophobicContact CE-CE2 4.29Å; M218-Y430 WeakPolarHBondContact CE-OH 3.47Å; M218-Y430 HydrophobicContact CG-CD1 4.47Å; M218-Y430 HydrophobicContact CG-CE1 3.88Å
219	F	93.8	Very high	90.1	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-56.1	-52.2	173.8	174.7	-99.6	0	0	0	111.7	L93 L97 L181 D215 M217 Q221 S222 V223 L427 T431 V434	L93-F219 HydrophobicContact CB-CZ 4.11Å; L93-F219 HydrophobicContact CD1-CE1 4.21Å; L93-F219 HydrophobicContact CD1-CE2 3.83Å; L93-F219 HydrophobicContact CD1-CZ 3.65Å; L97-F219 HydrophobicContact CD1-CE1 4.23Å; L181-F219 HydrophobicContact CD1-CD1 3.55Å; L181-F219 HydrophobicContact CD1-CE1 3.7Å; D215-F219 VanDerWaalsContact O-CB 3.26Å; D215-F219 WeakPolarHBondContact O-CB 3.47Å; D215-F219 PolarHBondContact O-N 3.36Å; M217-F219 VanDerWaalsContact C-N 3.35Å; M217-F219 PolarHBondContact O-N 3.4Å; F219-Q221 VanDerWaalsContact C-N 3.34Å; F219-Q221 PolarHBondContact O-N 3.41Å; F219-S222 PolarHBondContact O-N 3.21Å; F219-V223 HydrophobicContact CD1-CG2 4.33Å; F219-V223 HydrophobicContact CD2-CG2 4.05Å; F219-V223 HydrophobicContact CE1-CG2 3.98Å; F219-V223 HydrophobicContact CE2-CG2 3.66Å; F219-V223 HydrophobicContact CG-CG2 4.37Å; F219-V223 HydrophobicContact CZ-CG2 3.64Å; F219-V223 VanDerWaalsContact O-CG2 3.29Å; F219-V223 WeakPolarHBondContact O-CG2 3Å; F219-V223 PolarHBondContact O-N 3.29Å; F219-L427 HydrophobicContact CD2-CD1 3.65Å; F219-L427 HydrophobicContact CE2-CD1 3.86Å; F219-T431 HydrophobicContact CE2-CG2 4.35Å; F219-T431 WeakPolarHBondContact CE2-OG1 3.33Å; F219-V434 HydrophobicContact CB-CG2 4.07Å; F219-V434 HydrophobicContact CG-CG2 4.48Å
220	S	94.5	Very high	90.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-40.8	-176.4	-56.2	0	0	0	0	112.4	R178 V216 M217 M218 A224	R178-S220 WeakPolarHBondContact CA-OG 3.33Å; R178-S220 PolarHBondContact N-OG 3.44Å; V216-S220 WeakPolarHBondContact O-CB 3.31Å; V216-S220 PolarHBondContact O-N 3.37Å; V216-S220 PolarHBondContact O-OG 2.77Å; M217-S220 PolarHBondContact O-N 3.42Å; M218-S220 PolarHBondContact O-N 3.21Å; S220-A224 PolarHBondContact O-N 3.07Å
221	Q	94.3	Very high	90.6	Very high	97 Å²	97	31.5 Å²	31.5	45%	0.453	16%	0.164	S	C	.	.	H	α-helix	trans	-67.9	-47.2	175.7	-72.4	176.3	-10.5	0	0	111.6	A174 M217 M218 F219 V223 A224 H225	A174-Q221 HydrophobicContact CB-CG 4.38Å; M217-Q221 WeakPolarHBondContact O-CG 3.41Å; M217-Q221 PolarHBondContact O-N 3.39Å; M218-Q221 PolarHBondContact O-N 2.92Å; F219-Q221 VanDerWaalsContact C-N 3.34Å; F219-Q221 PolarHBondContact O-N 3.41Å; Q221-V223 PolarHBondContact O-N 2.68Å; Q221-A224 PolarHBondContact O-N 2.87Å; Q221-H225 VanDerWaalsContact O-CB 3.3Å; Q221-H225 WeakPolarHBondContact O-CB 3.29Å; Q221-H225 PolarHBondContact O-N 2.78Å
222	S	92.3	Very high	90.6	Very high	24 Å²	24	32.2 Å²	32.2	17%	0.168	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-41	179.2	-67.9	0	0	0	0	112.2	M218 F219 L226	M218-S222 VanDerWaalsContact O-CB 3.24Å; M218-S222 WeakPolarHBondContact O-CB 2.86Å; M218-S222 PolarHBondContact O-N 3.35Å; M218-S222 PolarHBondContact O-OG 3.13Å; F219-S222 PolarHBondContact O-N 3.21Å; S222-L226 WeakPolarHBondContact O-CB 3.35Å; S222-L226 PolarHBondContact O-N 3.16Å
223	V	93.1	Very high	90.6	Very high	28 Å²	28	31.7 Å²	31.7	17%	0.17	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-47.9	177	171.9	0	0	0	0	111.3	F177 F219 Q221 Y227 L427	F177-V223 HydrophobicContact CD2-CG1 4.31Å; F177-V223 HydrophobicContact CE2-CG1 4.01Å; F219-V223 HydrophobicContact CD1-CG2 4.33Å; F219-V223 HydrophobicContact CD2-CG2 4.05Å; F219-V223 HydrophobicContact CE1-CG2 3.98Å; F219-V223 HydrophobicContact CE2-CG2 3.66Å; F219-V223 HydrophobicContact CG-CG2 4.37Å; F219-V223 HydrophobicContact CZ-CG2 3.64Å; F219-V223 VanDerWaalsContact O-CG2 3.29Å; F219-V223 WeakPolarHBondContact O-CG2 3Å; F219-V223 PolarHBondContact O-N 3.29Å; Q221-V223 PolarHBondContact O-N 2.68Å; V223-Y227 WeakPolarHBondContact O-CB 3.48Å; V223-Y227 PolarHBondContact O-N 2.83Å; V223-L427 HydrophobicContact CG2-CD1 3.53Å; V223-L427 HydrophobicContact CG2-CD2 4.22Å
224	A	92.9	Very high	90.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.8	-43.5	179.9	0	0	0	0	0	112.1	L173 A174 S220 Q221 Y227 S228	L173-A224 HydrophobicContact CB-CB 4.48Å; L173-A224 HydrophobicContact CD2-CB 4.38Å; L173-A224 HydrophobicContact CG-CB 4.44Å; A174-A224 HydrophobicContact CB-CB 3.72Å; S220-A224 PolarHBondContact O-N 3.07Å; Q221-A224 PolarHBondContact O-N 2.87Å; A224-Y227 PolarHBondContact O-N 2.98Å; A224-S228 PolarHBondContact O-N 2.89Å
225	H	91.6	Very high	90.6	Very high	55 Å²	55	31.2 Å²	31.2	26%	0.255	16%	0.158	S	C	.	.	H	α-helix	trans	-61.5	-49.4	175.9	-177.4	-89.3	0	0	0	111.2	E170 Q221 Y227 S228 N229 E423	E170-H225 IonicContact OE1-CD2 2.78Å; E170-H225 PolarHBondContact OE1-CD2 3.35Å; E170-H225 IonicContact OE1-CG 3.77Å; Q221-H225 VanDerWaalsContact O-CB 3.3Å; Q221-H225 WeakPolarHBondContact O-CB 3.29Å; Q221-H225 PolarHBondContact O-N 2.78Å; H225-Y227 VanDerWaalsContact C-N 3.28Å; H225-Y227 PolarHBondContact O-N 2.86Å; H225-S228 WeakPolarHBondContact O-CB 3.35Å; H225-S228 PolarHBondContact O-N 2.98Å; H225-S228 VanDerWaalsContact O-N 3.16Å; H225-N229 PolarHBondContact CE1-ND2 3.01Å; H225-N229 VanDerWaalsContact O-CB 3.27Å; H225-N229 WeakPolarHBondContact O-CB 3.41Å; H225-N229 PolarHBondContact O-N 3.24Å; H225-E423 IonicContact CE1-OE1 3.91Å; H225-E423 PolarHBondContact CE1-OE1 3.25Å; H225-E423 IonicContact CE1-OE2 3.58Å; H225-E423 PolarHBondContact CE1-OE2 3.49Å; H225-E423 VanDerWaalsContact CE1-OE2 3.23Å; H225-E423 IonicContact ND1-OE1 3.76Å; H225-E423 IonicContact ND1-OE2 3.85Å; H225-E423 PolarHBondContact ND1-OE2 2.9Å
226	L	91.4	Very high	90.4	Very high	19 Å²	19	31.5 Å²	31.5	10%	0.099	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-38.1	-178.2	-174.5	71.2	0	0	0	111.6	S222 S228 N229 L230 E423 V424 L427	S222-L226 WeakPolarHBondContact O-CB 3.35Å; S222-L226 PolarHBondContact O-N 3.16Å; L226-S228 PolarHBondContact O-N 3.35Å; L226-N229 PolarHBondContact O-N 3.36Å; L226-L230 HydrophobicContact CD1-CD1 3.63Å; L226-L230 HydrophobicContact CD1-CG 3.79Å; L226-L230 HydrophobicContact CD2-CD1 4.09Å; L226-L230 HydrophobicContact CG-CD1 3.59Å; L226-L230 HydrophobicContact CG-CG 4.09Å; L226-L230 VanDerWaalsContact O-CB 3.3Å; L226-L230 WeakPolarHBondContact O-CB 3.33Å; L226-L230 WeakPolarHBondContact O-CG 3.38Å; L226-L230 PolarHBondContact O-N 3.26Å; L226-E423 HydrophobicContact CD1-CB 3.99Å; L226-V424 HydrophobicContact CD1-CG2 3.68Å; L226-V424 HydrophobicContact CD2-CG2 3.87Å; L226-V424 HydrophobicContact CG-CG2 4.39Å; L226-L427 HydrophobicContact CD2-CD2 3.45Å; L226-L427 VanDerWaalsContact CD2-CD2 3.45Å
227	Y	91.2	Very high	90	Very high	65 Å²	65	33 Å²	33	26%	0.255	17%	0.168	S	C	.	.	H	α-helix	trans	-58	-49.5	174.7	-179.3	-92	0	0	0	111.7	L109 H112 S113 L116 V223 A224 H225 T231	L109-Y227 HydrophobicContact CD1-CD1 3.92Å; L109-Y227 HydrophobicContact CD1-CD2 4.11Å; L109-Y227 HydrophobicContact CD1-CE1 3.66Å; L109-Y227 HydrophobicContact CD1-CE2 3.86Å; L109-Y227 HydrophobicContact CD1-CG 4.14Å; H112-Y227 AromaticContact CD2-CD1 3.55Å; H112-Y227 AromaticContact CD2-CE1 3.59Å; H112-Y227 AromaticContact NE2-CD1 3.99Å; S113-Y227 PolarHBondContact OG-OH 3.2Å; L116-Y227 HydrophobicContact CD1-CD1 4.43Å; L116-Y227 HydrophobicContact CD1-CE1 3.95Å; V223-Y227 WeakPolarHBondContact O-CB 3.48Å; V223-Y227 PolarHBondContact O-N 2.83Å; A224-Y227 PolarHBondContact O-N 2.98Å; H225-Y227 VanDerWaalsContact C-N 3.28Å; H225-Y227 PolarHBondContact O-N 2.86Å; Y227-T231 WeakPolarHBondContact O-CB 3.26Å; Y227-T231 PolarHBondContact O-N 3.38Å; Y227-T231 PolarHBondContact O-OG1 3.45Å
228	S	87.3	Confident	89.6	Confident	9 Å²	9	36.4 Å²	36.4	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-43.5	177.1	-176.2	0	0	0	0	111.8	H112 E170 A224 H225 L226	H112-S228 WeakPolarHBondContact NE2-CB 3.4Å; E170-S228 PolarHBondContact OE2-OG 2.85Å; A224-S228 PolarHBondContact O-N 2.89Å; H225-S228 WeakPolarHBondContact O-CB 3.35Å; H225-S228 PolarHBondContact O-N 2.98Å; H225-S228 VanDerWaalsContact O-N 3.16Å; L226-S228 PolarHBondContact O-N 3.35Å
229	N	87.6	Confident	89.2	Confident	22 Å²	22	36.1 Å²	36.1	12%	0.118	18%	0.184	C	C	.	.	H	α-helix	trans	-77.9	-23.1	-172.9	-154.6	27	0	0	0	113.9	H225 L226 P233 S420 E423	H225-N229 PolarHBondContact CE1-ND2 3.01Å; H225-N229 VanDerWaalsContact O-CB 3.27Å; H225-N229 WeakPolarHBondContact O-CB 3.41Å; H225-N229 PolarHBondContact O-N 3.24Å; L226-N229 PolarHBondContact O-N 3.36Å; N229-P233 WeakPolarHBondContact O-CD 3.31Å; N229-P233 WeakPolarHBondContact O-CG 3.27Å; N229-S420 PolarHBondContact ND2-OG 2.85Å; N229-E423 VanDerWaalsContact ND2-CD 3.3Å; N229-E423 PolarHBondContact ND2-OE1 2.9Å; N229-E423 PolarHBondContact ND2-OE2 3.25Å
230	L	88.6	Confident	88.5	Confident	43 Å²	43	36.7 Å²	36.7	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-92.2	-48.5	172.5	-73.3	176.3	0	0	0	112.4	L226 K232 P233 I234	L226-L230 HydrophobicContact CD1-CD1 3.63Å; L226-L230 HydrophobicContact CD1-CG 3.79Å; L226-L230 HydrophobicContact CD2-CD1 4.09Å; L226-L230 HydrophobicContact CG-CD1 3.59Å; L226-L230 HydrophobicContact CG-CG 4.09Å; L226-L230 VanDerWaalsContact O-CB 3.3Å; L226-L230 WeakPolarHBondContact O-CB 3.33Å; L226-L230 WeakPolarHBondContact O-CG 3.38Å; L226-L230 PolarHBondContact O-N 3.26Å; L230-K232 PolarHBondContact O-N 3.36Å; L230-P233 WeakPolarHBondContact O-CD 3.32Å; L230-I234 HydrophobicContact CB-CD1 4.2Å; L230-I234 WeakPolarHBondContact O-CB 3.48Å; L230-I234 WeakPolarHBondContact O-CD1 3.3Å; L230-I234 WeakPolarHBondContact O-CG1 3.33Å; L230-I234 PolarHBondContact O-N 3.48Å
231	T	89	Confident	87.8	Confident	38 Å²	38	39.3 Å²	39.3	23%	0.233	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-45.1	-169.5	-56.8	0	0	0	0	111.4	L116 Y227 I234 L235	L116-T231 HydrophobicContact CD1-CG2 4.15Å; Y227-T231 WeakPolarHBondContact O-CB 3.26Å; Y227-T231 PolarHBondContact O-N 3.38Å; Y227-T231 PolarHBondContact O-OG1 3.45Å; T231-I234 PolarHBondContact O-N 2.92Å; T231-L235 HydrophobicContact CG2-CD1 4.05Å; T231-L235 VanDerWaalsContact O-CG 3.29Å; T231-L235 WeakPolarHBondContact O-CG 3.42Å; T231-L235 PolarHBondContact O-N 3.49Å
232	K	85.5	Confident	87.2	Confident	27 Å²	27	41.5 Å²	41.5	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-54	179.9	163.1	179.9	179.7	-175.9	0	112.4	L116 L230 I234 L235 D236	L116-K232 HydrophobicContact CD2-CB 3.87Å; L230-K232 PolarHBondContact O-N 3.36Å; K232-I234 VanDerWaalsContact C-N 3.27Å; K232-I234 PolarHBondContact O-N 2.96Å; K232-L235 WeakPolarHBondContact O-CB 3.47Å; K232-L235 PolarHBondContact O-N 2.84Å; K232-L235 VanDerWaalsContact O-N 3.12Å; K232-D236 VanDerWaalsContact O-CG 3.3Å; K232-D236 PolarHBondContact O-N 3.06Å
233	P	88.6	Confident	86.6	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-35.4	177.5	-32.7	41.7	0	0	0	114.3	N229 L230 D236 V237 A413 R416 I417	N229-P233 WeakPolarHBondContact O-CD 3.31Å; N229-P233 WeakPolarHBondContact O-CG 3.27Å; L230-P233 WeakPolarHBondContact O-CD 3.32Å; P233-D236 PolarHBondContact O-N 3.43Å; P233-V237 WeakPolarHBondContact O-CB 3.47Å; P233-V237 VanDerWaalsContact O-CG2 3.22Å; P233-V237 WeakPolarHBondContact O-CG2 3.19Å; P233-V237 PolarHBondContact O-N 2.83Å; P233-A413 HydrophobicContact CB-CB 3.97Å; P233-A413 WeakPolarHBondContact CB-O 3.49Å; P233-R416 HydrophobicContact CB-CB 4.38Å; P233-R416 HydrophobicContact CG-CB 3.86Å; P233-I417 HydrophobicContact CB-CD1 3.99Å; P233-I417 HydrophobicContact CB-CG1 3.58Å
234	I	88.1	Confident	85.7	Confident	70 Å²	70	42.3 Å²	42.3	36%	0.359	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-46.2	174.6	-68.9	165.1	0	0	0	110.4	L230 T231 K232 V237 M238 I417	L230-I234 HydrophobicContact CB-CD1 4.2Å; L230-I234 WeakPolarHBondContact O-CB 3.48Å; L230-I234 WeakPolarHBondContact O-CD1 3.3Å; L230-I234 WeakPolarHBondContact O-CG1 3.33Å; L230-I234 PolarHBondContact O-N 3.48Å; T231-I234 PolarHBondContact O-N 2.92Å; K232-I234 VanDerWaalsContact C-N 3.27Å; K232-I234 PolarHBondContact O-N 2.96Å; I234-V237 PolarHBondContact O-N 3.48Å; I234-M238 HydrophobicContact CG2-CE 4.11Å; I234-M238 HydrophobicContact CG2-SD 4.38Å; I234-M238 WeakPolarHBondContact O-CB 3.31Å; I234-M238 WeakPolarHBondContact O-CG 3.45Å; I234-M238 PolarHBondContact O-N 3.3Å; I234-I417 HydrophobicContact CG1-CD1 3.98Å; I234-I417 HydrophobicContact CG1-CG1 4.45Å
235	L	87.2	Confident	84.9	Confident	44 Å²	44	46 Å²	46	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-43.7	175.1	-70.3	170.9	0	0	0	111.8	I117 T231 K232 V237 M238 L239	I117-L235 HydrophobicContact CG1-CD1 3.81Å; T231-L235 HydrophobicContact CG2-CD1 4.05Å; T231-L235 VanDerWaalsContact O-CG 3.29Å; T231-L235 WeakPolarHBondContact O-CG 3.42Å; T231-L235 PolarHBondContact O-N 3.49Å; K232-L235 WeakPolarHBondContact O-CB 3.47Å; K232-L235 PolarHBondContact O-N 2.84Å; K232-L235 VanDerWaalsContact O-N 3.12Å; L235-V237 VanDerWaalsContact C-N 3.34Å; L235-V237 PolarHBondContact O-N 3.3Å; L235-M238 PolarHBondContact O-N 2.81Å; L235-L239 WeakPolarHBondContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CG 3.35Å; L235-L239 PolarHBondContact O-N 3.39Å
236	D	85.1	Confident	84.2	Confident	13 Å²	13	48.2 Å²	48.2	7%	0.07	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-44.5	177.3	-69.1	-15.6	0	0	0	110.3	T120 K232 P233 T240 A413	T120-D236 VanDerWaalsContact CB-OD1 3.27Å; T120-D236 WeakPolarHBondContact CB-OD1 3.29Å; T120-D236 WeakPolarHBondContact CG2-OD1 3.4Å; T120-D236 PolarHBondContact OG1-OD1 2.73Å; K232-D236 VanDerWaalsContact O-CG 3.3Å; K232-D236 PolarHBondContact O-N 3.06Å; P233-D236 PolarHBondContact O-N 3.43Å; D236-T240 VanDerWaalsContact O-CB 3.22Å; D236-T240 WeakPolarHBondContact O-CB 3.46Å; D236-T240 WeakPolarHBondContact O-CG2 3.49Å; D236-T240 PolarHBondContact O-N 2.92Å; D236-T240 PolarHBondContact O-OG1 3.06Å; D236-A413 HydrophobicContact CB-CB 3.86Å
237	V	84	Confident	83.1	Confident	30 Å²	30	49.9 Å²	49.9	18%	0.182	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-45.9	177.6	172.5	0	0	0	0	112	P233 I234 L235 T240 S241 A413 I414 I417	P233-V237 WeakPolarHBondContact O-CB 3.47Å; P233-V237 VanDerWaalsContact O-CG2 3.22Å; P233-V237 WeakPolarHBondContact O-CG2 3.19Å; P233-V237 PolarHBondContact O-N 2.83Å; I234-V237 PolarHBondContact O-N 3.48Å; L235-V237 VanDerWaalsContact C-N 3.34Å; L235-V237 PolarHBondContact O-N 3.3Å; V237-T240 WeakPolarHBondContact CA-OG1 2.82Å; V237-T240 PolarHBondContact O-OG1 3.48Å; V237-S241 WeakPolarHBondContact O-CB 3.37Å; V237-S241 PolarHBondContact O-N 3.19Å; V237-S241 PolarHBondContact O-OG 2.93Å; V237-A413 HydrophobicContact CG2-CB 3.76Å; V237-I414 HydrophobicContact CG1-CD1 4.19Å; V237-I414 HydrophobicContact CG1-CG1 4.35Å; V237-I414 HydrophobicContact CG2-CD1 3.96Å; V237-I414 HydrophobicContact CG2-CG1 3.37Å; V237-I417 HydrophobicContact CG2-CD1 4.13Å
238	M	85.1	Confident	82	Confident	126 Å²	126	47.9 Å²	47.9	62%	0.621	25%	0.251	S	S	*	.	H	α-helix	trans	-61	-47.2	178.1	-75.6	-172.5	175	0	0	111.4	I234 L235 Y242	I234-M238 HydrophobicContact CG2-CE 4.11Å; I234-M238 HydrophobicContact CG2-SD 4.38Å; I234-M238 WeakPolarHBondContact O-CB 3.31Å; I234-M238 WeakPolarHBondContact O-CG 3.45Å; I234-M238 PolarHBondContact O-N 3.3Å; L235-M238 PolarHBondContact O-N 2.81Å; M238-Y242 WeakPolarHBondContact O-CB 3.45Å; M238-Y242 PolarHBondContact O-N 3.2Å
239	L	82.8	Confident	81.2	Confident	45 Å²	45	51.4 Å²	51.4	24%	0.236	27%	0.272	C	S	.	.	H	α-helix	trans	-74.9	-37.5	-177	-70	169.9	0	0	0	112.8	T120 I124 L235 Y242 T243	T120-L239 HydrophobicContact CG2-CB 4.44Å; T120-L239 HydrophobicContact CG2-CD1 3.42Å; T120-L239 VanDerWaalsContact CG2-CD1 3.42Å; I124-L239 HydrophobicContact CD1-CB 3.73Å; I124-L239 HydrophobicContact CD1-CD1 4.26Å; L235-L239 WeakPolarHBondContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CG 3.35Å; L235-L239 PolarHBondContact O-N 3.39Å; L239-Y242 PolarHBondContact O-N 3.15Å; L239-T243 WeakPolarHBondContact O-CB 3.33Å; L239-T243 VanDerWaalsContact O-CG2 3.3Å; L239-T243 WeakPolarHBondContact O-CG2 3.35Å; L239-T243 PolarHBondContact O-N 3.48Å; L239-T243 PolarHBondContact O-OG1 3.27Å
240	T	78.8	Confident	80.3	Confident	14 Å²	14	54.5 Å²	54.5	9%	0.086	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-40.9	173.1	52.5	0	0	0	0	111.7	D236 V237 T243 L244 L406	D236-T240 VanDerWaalsContact O-CB 3.22Å; D236-T240 WeakPolarHBondContact O-CB 3.46Å; D236-T240 WeakPolarHBondContact O-CG2 3.49Å; D236-T240 PolarHBondContact O-N 2.92Å; D236-T240 PolarHBondContact O-OG1 3.06Å; V237-T240 WeakPolarHBondContact CA-OG1 2.82Å; V237-T240 PolarHBondContact O-OG1 3.48Å; T240-T243 WeakPolarHBondContact CA-OG1 3.34Å; T240-T243 PolarHBondContact O-N 2.85Å; T240-T243 PolarHBondContact O-OG1 3.4Å; T240-T243 VanDerWaalsContact O-OG1 3.05Å; T240-L244 VanDerWaalsContact O-CB 3.26Å; T240-L244 WeakPolarHBondContact O-CB 3.43Å; T240-L244 PolarHBondContact O-N 3.38Å; T240-L406 HydrophobicContact CG2-CD2 4.21Å
241	S	78.6	Confident	79.2	Confident	55 Å²	55	59.2 Å²	59.2	39%	0.385	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-46.6	174.9	-59.6	0	0	0	0	111.2	V237 L244 I245	V237-S241 WeakPolarHBondContact O-CB 3.37Å; V237-S241 PolarHBondContact O-N 3.19Å; V237-S241 PolarHBondContact O-OG 2.93Å; S241-L244 PolarHBondContact O-N 3.29Å; S241-I245 WeakPolarHBondContact O-CD1 3.06Å; S241-I245 VanDerWaalsContact O-CG1 3.24Å; S241-I245 WeakPolarHBondContact O-CG1 3.5Å; S241-I245 PolarHBondContact O-N 2.99Å
242	Y	82.8	Confident	77.8	Confident	144 Å²	144	60.8 Å²	60.8	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-60.2	-49.4	176.9	177.5	-97	0	0	0	112.1	M238 L239 L244 I245 Q246	M238-Y242 WeakPolarHBondContact O-CB 3.45Å; M238-Y242 PolarHBondContact O-N 3.2Å; L239-Y242 PolarHBondContact O-N 3.15Å; Y242-L244 PolarHBondContact O-N 3.41Å; Y242-I245 PolarHBondContact O-N 3.38Å; Y242-Q246 WeakPolarHBondContact O-CB 3.46Å; Y242-Q246 PolarHBondContact O-N 3.29Å
243	T	78.8	Confident	76.8	Confident	26 Å²	26	60.2 Å²	60.2	16%	0.16	34%	0.34	C	S	.	.	H	α-helix	trans	-65.2	-37.4	-179.7	50.4	0	0	0	0	112.4	L239 T240 T247	L239-T243 WeakPolarHBondContact O-CB 3.33Å; L239-T243 VanDerWaalsContact O-CG2 3.3Å; L239-T243 WeakPolarHBondContact O-CG2 3.35Å; L239-T243 PolarHBondContact O-N 3.48Å; L239-T243 PolarHBondContact O-OG1 3.27Å; T240-T243 WeakPolarHBondContact CA-OG1 3.34Å; T240-T243 PolarHBondContact O-N 2.85Å; T240-T243 PolarHBondContact O-OG1 3.4Å; T240-T243 VanDerWaalsContact O-OG1 3.05Å; T243-T247 WeakPolarHBondContact O-CB 3.48Å; T243-T247 PolarHBondContact O-N 2.81Å; T243-T247 PolarHBondContact O-OG1 2.81Å
244	L	74.7	Confident	75.6	Confident	42 Å²	42	66.9 Å²	66.9	22%	0.22	38%	0.375	C	S	.	.	H	α-helix	trans	-65.6	-43.6	176.3	-169.9	70.3	0	0	0	111.7	T240 S241 Y242 T247 A248 A403 L407	T240-L244 VanDerWaalsContact O-CB 3.26Å; T240-L244 WeakPolarHBondContact O-CB 3.43Å; T240-L244 PolarHBondContact O-N 3.38Å; S241-L244 PolarHBondContact O-N 3.29Å; Y242-L244 PolarHBondContact O-N 3.41Å; L244-T247 PolarHBondContact O-N 3.21Å; L244-A248 WeakPolarHBondContact O-CB 3.5Å; L244-A248 PolarHBondContact O-N 2.89Å; L244-A403 HydrophobicContact CD1-CB 4.11Å; L244-L407 HydrophobicContact CD2-CD2 3.86Å; L244-L407 HydrophobicContact CD2-CG 4.44Å
245	I	75.4	Confident	74.5	Confident	79 Å²	79	64.7 Å²	64.7	41%	0.405	37%	0.367	S	S	.	.	H	α-helix	trans	-65.2	-45.6	177.1	-67.5	165.5	0	0	0	110.8	S241 Y242 T247 A248 T249 T259	S241-I245 WeakPolarHBondContact O-CD1 3.06Å; S241-I245 VanDerWaalsContact O-CG1 3.24Å; S241-I245 WeakPolarHBondContact O-CG1 3.5Å; S241-I245 PolarHBondContact O-N 2.99Å; Y242-I245 PolarHBondContact O-N 3.38Å; I245-T247 VanDerWaalsContact C-N 3.3Å; I245-T247 PolarHBondContact O-N 3.34Å; I245-A248 PolarHBondContact O-N 2.82Å; I245-T249 HydrophobicContact CG2-CG2 4.44Å; I245-T249 WeakPolarHBondContact O-CG2 3.45Å; I245-T249 PolarHBondContact O-N 2.9Å; I245-T249 PolarHBondContact O-OG1 2.91Å; I245-T259 HydrophobicContact CD1-CG2 4.41Å; I245-T259 HydrophobicContact CG1-CG2 4.34Å
246	Q	76.9	Confident	73.6	Confident	101 Å²	101	66.8 Å²	66.8	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-40.8	177.3	-170.6	179.3	20.6	0	0	111.4	Y242 A248 T249 A250	Y242-Q246 WeakPolarHBondContact O-CB 3.46Å; Y242-Q246 PolarHBondContact O-N 3.29Å; Q246-A248 VanDerWaalsContact C-N 3.34Å; Q246-A248 PolarHBondContact O-N 3.28Å; Q246-T249 WeakPolarHBondContact CA-OG1 3.36Å; Q246-T249 PolarHBondContact O-OG1 2.74Å; Q246-A250 WeakPolarHBondContact O-CB 3.39Å; Q246-A250 PolarHBondContact O-N 3.43Å
247	T	69.8	Low	72.9	Confident	53 Å²	53	68.1 Å²	68.1	33%	0.325	40%	0.403	S	S	.	.	H	α-helix	trans	-68.6	-31.9	179.2	-62	0	0	0	0	112.5	T243 L244 I245 R251	T243-T247 WeakPolarHBondContact O-CB 3.48Å; T243-T247 PolarHBondContact O-N 2.81Å; T243-T247 PolarHBondContact O-OG1 2.81Å; L244-T247 PolarHBondContact O-N 3.21Å; I245-T247 VanDerWaalsContact C-N 3.3Å; I245-T247 PolarHBondContact O-N 3.34Å; T247-R251 WeakPolarHBondContact O-CG 3.44Å
248	A	68.3	Low	72.2	Confident	24 Å²	24	67.5 Å²	67.5	20%	0.198	40%	0.399	C	S	.	.	H	α-helix	trans	-75.5	-43.9	175.1	0	0	0	0	0	112.3	L244 I245 Q246 R251 A253 A255	L244-A248 WeakPolarHBondContact O-CB 3.5Å; L244-A248 PolarHBondContact O-N 2.89Å; I245-A248 PolarHBondContact O-N 2.82Å; Q246-A248 VanDerWaalsContact C-N 3.34Å; Q246-A248 PolarHBondContact O-N 3.28Å; A248-R251 PolarHBondContact O-N 3.19Å; A248-A253 PolarHBondContact O-N 3.03Å; A248-A255 HydrophobicContact CB-CB 4.38Å
249	T	68.9	Low	71.6	Confident	82 Å²	82	64.7 Å²	64.7	50%	0.503	39%	0.389	S	S	.	.	H	α-helix	trans	-67.7	-41	178.9	47.1	0	0	0	0	112.4	I245 Q246 R251 G252 A255	I245-T249 HydrophobicContact CG2-CG2 4.44Å; I245-T249 WeakPolarHBondContact O-CG2 3.45Å; I245-T249 PolarHBondContact O-N 2.9Å; I245-T249 PolarHBondContact O-OG1 2.91Å; Q246-T249 WeakPolarHBondContact CA-OG1 3.36Å; Q246-T249 PolarHBondContact O-OG1 2.74Å; T249-R251 PolarHBondContact O-N 3.09Å; T249-R251 VanDerWaalsContact O-N 3.07Å; T249-G252 PolarHBondContact O-N 3.24Å; T249-G252 VanDerWaalsContact O-N 3.07Å; T249-A255 HydrophobicContact CG2-CB 4.49Å
250	A	68.4	Low	71.4	Confident	88 Å²	88	69 Å²	69	73%	0.727	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-17	174.6	0	0	0	0	0	113.7	Q246	Q246-A250 WeakPolarHBondContact O-CB 3.39Å; Q246-A250 PolarHBondContact O-N 3.43Å
251	R	65.8	Low	71.2	Confident	142 Å²	142	71.2 Å²	71.2	54%	0.536	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	10.7	178.5	-66.9	-168	175.7	105.8	1.4	113.9	T247 A248 T249 A253	T247-R251 WeakPolarHBondContact O-CG 3.44Å; A248-R251 PolarHBondContact O-N 3.19Å; T249-R251 PolarHBondContact O-N 3.09Å; T249-R251 VanDerWaalsContact O-N 3.07Å; R251-A253 VanDerWaalsContact C-N 3.34Å; R251-A253 PolarHBondContact O-N 3.42Å
252	G	60	Low	71	Confident	70 Å²	70	70 Å²	70	72%	0.722	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	15.8	173.5	0	0	0	0	0	115.4	T249	T249-G252 PolarHBondContact O-N 3.24Å; T249-G252 VanDerWaalsContact O-N 3.07Å
253	A	64	Low	70.6	Confident	15 Å²	15	65.2 Å²	65.2	12%	0.124	41%	0.41	C	S	.	.			trans	-95	140.8	178.8	0	0	0	0	0	112.4	A248 R251 A255 P365	A248-A253 PolarHBondContact O-N 3.03Å; R251-A253 VanDerWaalsContact C-N 3.34Å; R251-A253 PolarHBondContact O-N 3.42Å; A253-A255 PolarHBondContact O-N 3.04Å; A253-P365 HydrophobicContact CB-CB 3.94Å
254	N	65.3	Low	70.8	Confident	142 Å²	142	69.2 Å²	69.2	76%	0.759	43%	0.43	S	S	*	.			trans	-67	103	174.5	-70.1	-21.9	0	0	0	110.6	S256	N254-S256 PolarHBondContact O-N 3.33Å
255	A	63.8	Low	71.2	Confident	23 Å²	23	68.3 Å²	68.3	19%	0.19	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.2	-178.1	0	0	0	0	0	114.5	A248 T249 A253 T259	A248-A255 HydrophobicContact CB-CB 4.38Å; T249-A255 HydrophobicContact CG2-CB 4.49Å; A253-A255 PolarHBondContact O-N 3.04Å; A255-T259 WeakPolarHBondContact O-CG2 3.2Å; A255-T259 PolarHBondContact O-N 3.34Å; A255-T259 PolarHBondContact O-OG1 2.78Å
256	S	68.1	Low	71.4	Confident	88 Å²	88	67.7 Å²	67.7	62%	0.615	43%	0.426	S	S	*	.	H	α-helix	trans	-69.1	-37.6	-175.9	54.2	0	0	0	0	114	N254 T259 L260	N254-S256 PolarHBondContact O-N 3.33Å; S256-T259 WeakPolarHBondContact CA-OG1 3.19Å; S256-T259 PolarHBondContact O-OG1 2.95Å; S256-T259 VanDerWaalsContact O-OG1 3.06Å; S256-L260 WeakPolarHBondContact O-CB 3.28Å; S256-L260 PolarHBondContact O-N 3.02Å
257	G	70.4	Confident	71.7	Confident	41 Å²	41	69.1 Å²	69.1	42%	0.423	43%	0.431	S	S	.	.	H	α-helix	trans	-67.1	-53.6	179.8	0	0	0	0	0	113.6	T259 L260 L261	G257-T259 VanDerWaalsContact C-N 3.33Å; G257-T259 PolarHBondContact O-N 3.48Å; G257-L260 PolarHBondContact O-N 3.03Å; G257-L261 PolarHBondContact O-N 3.36Å; G257-L261 VanDerWaalsContact O-N 3.11Å
258	P	69.9	Low	72.4	Confident	18 Å²	18	68.8 Å²	68.8	12%	0.117	43%	0.434	C	S	.	.	H	α-helix	trans	-61.2	-37.1	178	-25.8	34.9	0	0	0	113.7	L261 A262 M361 P365	P258-L261 PolarHBondContact O-N 2.62Å; P258-A262 PolarHBondContact O-N 2.78Å; P258-M361 HydrophobicContact CB-CB 4.21Å; P258-M361 HydrophobicContact CB-CE 4.29Å; P258-M361 HydrophobicContact CB-CG 4.28Å; P258-M361 WeakPolarHBondContact O-CE 3.48Å; P258-P365 HydrophobicContact CG-CG 3.77Å
259	T	72.8	Confident	73.2	Confident	67 Å²	67	68 Å²	68	41%	0.411	43%	0.427	S	S	.	.	H	α-helix	trans	-69.4	-38.5	178.6	45.6	0	0	0	0	112.6	I245 A255 S256 G257 A262 G263	I245-T259 HydrophobicContact CD1-CG2 4.41Å; I245-T259 HydrophobicContact CG1-CG2 4.34Å; A255-T259 WeakPolarHBondContact O-CG2 3.2Å; A255-T259 PolarHBondContact O-N 3.34Å; A255-T259 PolarHBondContact O-OG1 2.78Å; S256-T259 WeakPolarHBondContact CA-OG1 3.19Å; S256-T259 PolarHBondContact O-OG1 2.95Å; S256-T259 VanDerWaalsContact O-OG1 3.06Å; G257-T259 VanDerWaalsContact C-N 3.33Å; G257-T259 PolarHBondContact O-N 3.48Å; T259-A262 PolarHBondContact O-N 2.9Å; T259-G263 PolarHBondContact O-N 3.22Å; T259-G263 VanDerWaalsContact O-N 3.08Å
260	L	77.3	Confident	73.8	Confident	135 Å²	135	66.1 Å²	66.1	71%	0.707	42%	0.42	S	S	*	.	H	α-helix	trans	-63.1	-44.7	173.2	-170.2	89.1	0	0	0	111.8	S256 G257 A262 G263 L264	S256-L260 WeakPolarHBondContact O-CB 3.28Å; S256-L260 PolarHBondContact O-N 3.02Å; G257-L260 PolarHBondContact O-N 3.03Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 2.93Å; L260-G263 PolarHBondContact O-N 2.76Å; L260-L264 PolarHBondContact O-N 3.39Å
261	L	76.4	Confident	74.6	Confident	60 Å²	60	67.8 Å²	67.8	31%	0.314	41%	0.41	S	S	.	.	H	α-helix	trans	-61.2	-42.9	177.7	-177	65	0	0	0	111.4	G257 P258 L264 V265 V360 M361	G257-L261 PolarHBondContact O-N 3.36Å; G257-L261 VanDerWaalsContact O-N 3.11Å; P258-L261 PolarHBondContact O-N 2.62Å; L261-L264 PolarHBondContact O-N 3.1Å; L261-V265 HydrophobicContact CD1-CG2 4.41Å; L261-V265 WeakPolarHBondContact O-CG2 3.48Å; L261-V265 PolarHBondContact O-N 2.73Å; L261-V360 HydrophobicContact CD2-CB 4.47Å; L261-V360 HydrophobicContact CD2-CG1 3.93Å; L261-M361 HydrophobicContact CD2-CG 4.03Å
262	A	73.1	Confident	75.6	Confident	30 Å²	30	64.3 Å²	64.3	25%	0.248	41%	0.405	C	S	.	.	H	α-helix	trans	-59.3	-48.5	175.4	0	0	0	0	0	111.9	P258 T259 L260 L264 V265 V266 M361	P258-A262 PolarHBondContact O-N 2.78Å; T259-A262 PolarHBondContact O-N 2.9Å; L260-A262 VanDerWaalsContact C-N 3.34Å; L260-A262 PolarHBondContact O-N 2.93Å; A262-L264 VanDerWaalsContact C-N 3.33Å; A262-L264 PolarHBondContact O-N 3.43Å; A262-V265 PolarHBondContact O-N 3.02Å; A262-V266 WeakPolarHBondContact O-CB 3.06Å; A262-V266 WeakPolarHBondContact O-CG2 3.34Å; A262-V266 PolarHBondContact O-N 3.49Å; A262-M361 HydrophobicContact CB-CE 3.65Å; A262-M361 HydrophobicContact CB-SD 3.83Å
263	G	75.7	Confident	76.6	Confident	43 Å²	43	61.2 Å²	61.2	44%	0.443	37%	0.371	S	S	.	.	H	α-helix	trans	-59.7	-41.7	178	0	0	0	0	0	112.8	T259 L260 F267	T259-G263 PolarHBondContact O-N 3.22Å; T259-G263 VanDerWaalsContact O-N 3.08Å; L260-G263 PolarHBondContact O-N 2.76Å; G263-F267 WeakPolarHBondContact O-CB 3.37Å; G263-F267 PolarHBondContact O-N 3.15Å
264	L	83.2	Confident	77.4	Confident	110 Å²	110	70.3 Å²	70.3	58%	0.576	40%	0.403	S	S	*	.	H	α-helix	trans	-65.6	-45.9	178.4	-171.9	150.2	0	0	0	112	L260 L261 A262 F267 A268	L260-L264 PolarHBondContact O-N 3.39Å; L261-L264 PolarHBondContact O-N 3.1Å; A262-L264 VanDerWaalsContact C-N 3.33Å; A262-L264 PolarHBondContact O-N 3.43Å; L264-F267 PolarHBondContact O-N 3.1Å; L264-A268 WeakPolarHBondContact O-CB 3.49Å; L264-A268 PolarHBondContact O-N 3.25Å
265	V	82.1	Confident	78.1	Confident	23 Å²	23	67.8 Å²	67.8	14%	0.139	40%	0.401	C	S	.	.	H	α-helix	trans	-65.5	-41	179.7	170.8	0	0	0	0	111.4	L261 A262 T269	L261-V265 HydrophobicContact CD1-CG2 4.41Å; L261-V265 WeakPolarHBondContact O-CG2 3.48Å; L261-V265 PolarHBondContact O-N 2.73Å; A262-V265 PolarHBondContact O-N 3.02Å; V265-T269 VanDerWaalsContact O-CB 3.26Å; V265-T269 WeakPolarHBondContact O-CB 3.46Å; V265-T269 PolarHBondContact O-N 2.79Å; V265-T269 PolarHBondContact O-OG1 3.01Å
266	V	80.1	Confident	79	Confident	67 Å²	67	69.6 Å²	69.6	41%	0.406	41%	0.412	S	S	.	.	H	α-helix	trans	-61.5	-47.6	174.1	173	0	0	0	0	110.6	A262 T269 A270 W354	A262-V266 WeakPolarHBondContact O-CB 3.06Å; A262-V266 WeakPolarHBondContact O-CG2 3.34Å; A262-V266 PolarHBondContact O-N 3.49Å; V266-T269 PolarHBondContact O-N 3.06Å; V266-A270 WeakPolarHBondContact O-CB 3.3Å; V266-A270 PolarHBondContact O-N 3.29Å; V266-W354 HydrophobicContact CB-CZ2 4.39Å; V266-W354 HydrophobicContact CG2-CH2 3.66Å; V266-W354 HydrophobicContact CG2-CZ2 3.76Å
267	F	82.5	Confident	79.5	Confident	131 Å²	131	67.3 Å²	67.3	58%	0.575	40%	0.396	S	S	*	.	H	α-helix	trans	-62.6	-45.7	179.9	-180	-98.1	0	0	0	112.4	G263 L264 A270 K271	G263-F267 WeakPolarHBondContact O-CB 3.37Å; G263-F267 PolarHBondContact O-N 3.15Å; L264-F267 PolarHBondContact O-N 3.1Å; F267-A270 PolarHBondContact O-N 2.99Å; F267-K271 HydrophobicContact CD1-CG 4.44Å; F267-K271 HydrophobicContact CE1-CG 4.08Å; F267-K271 HydrophobicContact CZ-CD 4.47Å; F267-K271 VanDerWaalsContact CZ-CE 3.46Å; F267-K271 HydrophobicContact CZ-CG 4.14Å; F267-K271 WeakPolarHBondContact O-CG 3.18Å; F267-K271 PolarHBondContact O-N 3.12Å
268	A	85.6	Confident	79.9	Confident	46 Å²	46	66.9 Å²	66.9	38%	0.38	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-45.1	177.8	0	0	0	0	0	111.3	L264 A270 K271 V272	L264-A268 WeakPolarHBondContact O-CB 3.49Å; L264-A268 PolarHBondContact O-N 3.25Å; A268-A270 PolarHBondContact O-N 3.43Å; A268-K271 PolarHBondContact O-N 2.92Å; A268-V272 WeakPolarHBondContact O-CG2 3.23Å; A268-V272 PolarHBondContact O-N 3.33Å; A268-V272 VanDerWaalsContact O-N 3.08Å
269	T	84.6	Confident	80.3	Confident	7 Å²	7	76 Å²	76	4%	0.043	42%	0.418	C	S	.	.	H	α-helix	trans	-60.5	-46.1	177.2	-57.9	0	0	0	0	111.2	V265 V266 K271 V272 L273 L349 W354	V265-T269 VanDerWaalsContact O-CB 3.26Å; V265-T269 WeakPolarHBondContact O-CB 3.46Å; V265-T269 PolarHBondContact O-N 2.79Å; V265-T269 PolarHBondContact O-OG1 3.01Å; V266-T269 PolarHBondContact O-N 3.06Å; T269-K271 PolarHBondContact O-N 3.33Å; T269-V272 PolarHBondContact O-N 3.02Å; T269-L273 HydrophobicContact CG2-CD1 3.85Å; T269-L273 HydrophobicContact CG2-CG 4.4Å; T269-L273 WeakPolarHBondContact O-CG 3.25Å; T269-L273 PolarHBondContact O-N 2.71Å; T269-L349 HydrophobicContact CG2-CB 3.98Å; T269-L349 HydrophobicContact CG2-CD1 4.17Å; T269-W354 PolarHBondContact OG1-NE1 3.48Å; T269-W354 VanDerWaalsContact OG1-NE1 3.1Å
270	A	80.6	Confident	80.3	Confident	43 Å²	43	74.2 Å²	74.2	36%	0.355	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-39.4	179.2	0	0	0	0	0	112.6	V266 F267 A268 R274	V266-A270 WeakPolarHBondContact O-CB 3.3Å; V266-A270 PolarHBondContact O-N 3.29Å; F267-A270 PolarHBondContact O-N 2.99Å; A268-A270 PolarHBondContact O-N 3.43Å; A270-R274 VanDerWaalsContact O-CB 3.29Å; A270-R274 WeakPolarHBondContact O-CB 3.4Å; A270-R274 PolarHBondContact O-N 3Å
271	K	84.9	Confident	79.9	Confident	123 Å²	123	68.9 Å²	68.9	54%	0.535	38%	0.382	S	S	.	.	H	α-helix	trans	-64.2	-44.1	176	-76.2	-73.2	-172.9	173	0	112.2	F267 A268 T269 A275	F267-K271 HydrophobicContact CD1-CG 4.44Å; F267-K271 HydrophobicContact CE1-CG 4.08Å; F267-K271 HydrophobicContact CZ-CD 4.47Å; F267-K271 VanDerWaalsContact CZ-CE 3.46Å; F267-K271 HydrophobicContact CZ-CG 4.14Å; F267-K271 WeakPolarHBondContact O-CG 3.18Å; F267-K271 PolarHBondContact O-N 3.12Å; A268-K271 PolarHBondContact O-N 2.92Å; T269-K271 PolarHBondContact O-N 3.33Å; K271-A275 WeakPolarHBondContact O-CB 3.29Å; K271-A275 PolarHBondContact O-N 3.47Å; K271-A275 VanDerWaalsContact O-N 3.09Å
272	V	86.9	Confident	79.9	Confident	68 Å²	68	72.4 Å²	72.4	41%	0.412	40%	0.395	S	S	.	.	H	α-helix	trans	-63.6	-49	177.5	173.5	0	0	0	0	110.8	A268 T269 R274 A275 C276 L349	A268-V272 WeakPolarHBondContact O-CG2 3.23Å; A268-V272 PolarHBondContact O-N 3.33Å; A268-V272 VanDerWaalsContact O-N 3.08Å; T269-V272 PolarHBondContact O-N 3.02Å; V272-R274 VanDerWaalsContact C-N 3.34Å; V272-R274 PolarHBondContact O-N 2.84Å; V272-A275 PolarHBondContact O-N 3.28Å; V272-C276 PolarHBondContact O-N 2.93Å; V272-C276 PolarHBondContact O-SG 3.19Å; V272-L349 HydrophobicContact CB-CD1 4.34Å; V272-L349 HydrophobicContact CG1-CD1 3.9Å
273	L	81.4	Confident	80.3	Confident	5 Å²	5	72.3 Å²	72.3	3%	0.026	39%	0.39	C	S	.	.	H	α-helix	trans	-62.6	-39.9	180	-72	173.1	0	0	0	112.4	T269 A275 C276 S277 Y342 I345 E346 L349 M350 M418	T269-L273 HydrophobicContact CG2-CD1 3.85Å; T269-L273 HydrophobicContact CG2-CG 4.4Å; T269-L273 WeakPolarHBondContact O-CG 3.25Å; T269-L273 PolarHBondContact O-N 2.71Å; L273-A275 VanDerWaalsContact C-N 3.34Å; L273-A275 PolarHBondContact O-N 3.01Å; L273-C276 PolarHBondContact O-N 3.26Å; L273-S277 WeakPolarHBondContact O-CB 3.36Å; L273-S277 PolarHBondContact O-N 3.12Å; L273-Y342 HydrophobicContact CD2-CE2 4.48Å; L273-I345 HydrophobicContact CD2-CG2 4.33Å; L273-E346 HydrophobicContact CD2-CB 4.07Å; L273-L349 HydrophobicContact CD2-CD1 4.01Å; L273-L349 HydrophobicContact CG-CD1 4.06Å; L273-M350 HydrophobicContact CD1-CE 4.07Å; L273-M418 HydrophobicContact CD1-CE 3.78Å; L273-M418 HydrophobicContact CD1-CG 4.3Å; L273-M418 HydrophobicContact CD1-SD 4.32Å
274	R	80	Confident	80.2	Confident	207 Å²	207	71.9 Å²	71.9	78%	0.781	38%	0.378	S	S	*	.	H	α-helix	trans	-64.7	-37.7	175.8	-174.7	173.4	176.6	173.9	-0.7	112.5	A270 V272	A270-R274 VanDerWaalsContact O-CB 3.29Å; A270-R274 WeakPolarHBondContact O-CB 3.4Å; A270-R274 PolarHBondContact O-N 3Å; V272-R274 VanDerWaalsContact C-N 3.34Å; V272-R274 PolarHBondContact O-N 2.84Å
275	A	81.1	Confident	79.6	Confident	88 Å²	88	68.6 Å²	68.6	73%	0.727	37%	0.367	S	S	*	.	H	α-helix	trans	-69.5	-34.5	177.7	0	0	0	0	0	112.4	K271 V272 L273	K271-A275 WeakPolarHBondContact O-CB 3.29Å; K271-A275 PolarHBondContact O-N 3.47Å; K271-A275 VanDerWaalsContact O-N 3.09Å; V272-A275 PolarHBondContact O-N 3.28Å; L273-A275 VanDerWaalsContact C-N 3.34Å; L273-A275 PolarHBondContact O-N 3.01Å
276	C	83	Confident	79.6	Confident	61 Å²	61	70.7 Å²	70.7	41%	0.412	38%	0.375	S	S	.	.	H	α-helix	trans	-89	-8.4	179.7	-63.4	0	0	0	0	114	V272 L273 P278 I345	V272-C276 PolarHBondContact O-N 2.93Å; V272-C276 PolarHBondContact O-SG 3.19Å; L273-C276 PolarHBondContact O-N 3.26Å; C276-P278 VanDerWaalsContact O-CD 3.31Å; C276-P278 WeakPolarHBondContact O-CD 3.41Å; C276-I345 HydrophobicContact CB-CD1 4.49Å
277	S	78.4	Confident	79.7	Confident	40 Å²	40	70.2 Å²	70.2	28%	0.28	37%	0.369	S	S	.	.			trans	-70.8	118.4	-175.7	-168.9	0	0	0	0	111.6	L273	L273-S277 WeakPolarHBondContact O-CB 3.36Å; L273-S277 PolarHBondContact O-N 3.12Å
278	P	78.1	Confident	79.4	Confident	33 Å²	33	65.6 Å²	65.6	21%	0.214	36%	0.355	C	S	.	.			trans	-72.9	162.8	172.3	31.6	-34.4	0	0	0	110.8	C276 F280	C276-P278 VanDerWaalsContact O-CD 3.31Å; C276-P278 WeakPolarHBondContact O-CD 3.41Å; P278-F280 VanDerWaalsContact CD-CE2 3.45Å; P278-F280 HydrophobicContact CG-CD1 4.19Å; P278-F280 HydrophobicContact CG-CD2 3.83Å; P278-F280 HydrophobicContact CG-CE1 3.75Å; P278-F280 HydrophobicContact CG-CE2 3.38Å; P278-F280 HydrophobicContact CG-CG 4.22Å; P278-F280 HydrophobicContact CG-CZ 3.33Å; P278-F280 WeakPolarHBondContact O-CD2 3.4Å; P278-F280 PolarHBondContact O-N 2.91Å
279	R	79.2	Confident	79	Confident	209 Å²	209	69.8 Å²	69.8	79%	0.789	37%	0.366	S	S	*	.			trans	-72.4	67.4	177.1	-63.8	-178	-179.9	171.2	-0.8	111.8	G281 K282 L283	R279-G281 VanDerWaalsContact C-N 3.29Å; R279-G281 PolarHBondContact O-N 3.12Å; R279-K282 PolarHBondContact O-N 3.27Å; R279-L283 PolarHBondContact O-N 3.13Å
280	F	72.3	Confident	79.1	Confident	30 Å²	30	72.7 Å²	72.7	13%	0.132	38%	0.376	C	S	.	.	H	α-helix	trans	-55.9	-40.2	-176.9	-75.8	-66.4	0	0	0	112.9	P278 K282 L283 V284 R339 Y342	P278-F280 VanDerWaalsContact CD-CE2 3.45Å; P278-F280 HydrophobicContact CG-CD1 4.19Å; P278-F280 HydrophobicContact CG-CD2 3.83Å; P278-F280 HydrophobicContact CG-CE1 3.75Å; P278-F280 HydrophobicContact CG-CE2 3.38Å; P278-F280 HydrophobicContact CG-CG 4.22Å; P278-F280 HydrophobicContact CG-CZ 3.33Å; P278-F280 WeakPolarHBondContact O-CD2 3.4Å; P278-F280 PolarHBondContact O-N 2.91Å; F280-K282 VanDerWaalsContact C-N 3.34Å; F280-K282 PolarHBondContact O-N 3.37Å; F280-L283 PolarHBondContact O-N 3.21Å; F280-L283 VanDerWaalsContact O-N 3.13Å; F280-V284 WeakPolarHBondContact O-CG2 3.31Å; F280-V284 PolarHBondContact O-N 3.29Å; F280-R339 HydrophobicContact CE1-CB 4.37Å; F280-Y342 AromaticContact CE2-CD1 3.94Å; F280-Y342 HydrophobicContact CE2-CD1 3.94Å; F280-Y342 HydrophobicContact CE2-CD2 4.35Å; F280-Y342 HydrophobicContact CE2-CE1 4.23Å; F280-Y342 HydrophobicContact CE2-CG 4.01Å; F280-Y342 AromaticContact CZ-CD1 3.99Å; F280-Y342 HydrophobicContact CZ-CD1 3.99Å; F280-Y342 HydrophobicContact CZ-CG 4.02Å
281	G	69.3	Low	79.3	Confident	22 Å²	22	74.8 Å²	74.8	23%	0.227	38%	0.377	C	S	.	.	H	α-helix	trans	-56	-45.1	179.5	0	0	0	0	0	113.3	R279 L283 A285	R279-G281 VanDerWaalsContact C-N 3.29Å; R279-G281 PolarHBondContact O-N 3.12Å; G281-L283 PolarHBondContact O-N 3.25Å; G281-A285 WeakPolarHBondContact O-CB 3.4Å; G281-A285 PolarHBondContact O-N 3.03Å
282	K	76.8	Confident	79.2	Confident	135 Å²	135	69.1 Å²	69.1	59%	0.587	35%	0.354	S	S	*	.	H	α-helix	trans	-65.4	-41	177.4	-174.4	174	-179.3	173.2	0	111.8	R279 F280 A285 E286	R279-K282 PolarHBondContact O-N 3.27Å; F280-K282 VanDerWaalsContact C-N 3.34Å; F280-K282 PolarHBondContact O-N 3.37Å; K282-A285 PolarHBondContact O-N 3.17Å; K282-E286 WeakPolarHBondContact O-CB 3.37Å; K282-E286 PolarHBondContact O-N 3.17Å
283	L	80.9	Confident	79.1	Confident	27 Å²	27	70.9 Å²	70.9	14%	0.141	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-44	-179.4	-66.3	172.6	0	0	0	112.1	R279 F280 G281 E286 E287 L334 I335	R279-L283 PolarHBondContact O-N 3.13Å; F280-L283 PolarHBondContact O-N 3.21Å; F280-L283 VanDerWaalsContact O-N 3.13Å; G281-L283 PolarHBondContact O-N 3.25Å; L283-E286 PolarHBondContact O-N 3.34Å; L283-E287 PolarHBondContact O-N 2.9Å; L283-L334 HydrophobicContact CD2-CD2 4.14Å; L283-I335 HydrophobicContact CB-CD1 4.16Å; L283-I335 HydrophobicContact CB-CG1 3.9Å; L283-I335 HydrophobicContact CD1-CG1 4.47Å
284	V	72.8	Confident	79.5	Confident	34 Å²	34	72.1 Å²	72.1	21%	0.206	36%	0.361	C	S	.	.	H	α-helix	trans	-68.7	-39.6	178.2	174.1	0	0	0	0	111.3	F280 E286 E287 A288 E426	F280-V284 WeakPolarHBondContact O-CG2 3.31Å; F280-V284 PolarHBondContact O-N 3.29Å; V284-E286 VanDerWaalsContact C-N 3.32Å; V284-E286 PolarHBondContact O-N 3.43Å; V284-E287 WeakPolarHBondContact O-CB 3.25Å; V284-E287 PolarHBondContact O-N 3.36Å; V284-A288 PolarHBondContact O-N 2.78Å; V284-E426 HydrophobicContact CG1-CG 4.41Å
285	A	71.1	Confident	79.8	Confident	41 Å²	41	67.6 Å²	67.6	34%	0.339	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-42.8	174.9	0	0	0	0	0	111.7	G281 K282 A288 H289	G281-A285 WeakPolarHBondContact O-CB 3.4Å; G281-A285 PolarHBondContact O-N 3.03Å; K282-A285 PolarHBondContact O-N 3.17Å; A285-A288 PolarHBondContact O-N 3.43Å; A285-H289 WeakPolarHBondContact O-CB 3.46Å; A285-H289 PolarHBondContact O-N 2.95Å
286	E	81.4	Confident	80	Confident	68 Å²	68	69 Å²	69	32%	0.318	33%	0.33	S	S	.	.	H	α-helix	trans	-69.2	-36.1	177.6	-173.2	170	-167	0	0	112.7	K282 L283 V284 H289 R290 Q331	K282-E286 WeakPolarHBondContact O-CB 3.37Å; K282-E286 PolarHBondContact O-N 3.17Å; L283-E286 PolarHBondContact O-N 3.34Å; V284-E286 VanDerWaalsContact C-N 3.32Å; V284-E286 PolarHBondContact O-N 3.43Å; E286-H289 PolarHBondContact O-N 3.48Å; E286-R290 WeakPolarHBondContact O-CG 3.02Å; E286-R290 PolarHBondContact O-N 3.48Å; E286-R290 IonicContact OE1-CZ 3.28Å; E286-R290 IonicContact OE1-NE 3.49Å; E286-R290 IonicContact OE1-NH2 2.74Å; E286-R290 PolarHBondContact OE1-NH2 2.85Å; E286-Q331 PolarHBondContact OE2-NE2 3.19Å; E286-Q331 VanDerWaalsContact OE2-NE2 3.07Å
287	E	83.6	Confident	80.3	Confident	56 Å²	56	66.1 Å²	66.1	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-58.8	-51.1	170.3	179.7	-170.9	170	0	0	111.3	L283 V284 H289 R290 K291 L328 Q331 I335	L283-E287 PolarHBondContact O-N 2.9Å; V284-E287 WeakPolarHBondContact O-CB 3.25Å; V284-E287 PolarHBondContact O-N 3.36Å; E287-H289 VanDerWaalsContact C-N 3.31Å; E287-H289 PolarHBondContact O-N 3.45Å; E287-R290 PolarHBondContact O-N 2.94Å; E287-K291 WeakPolarHBondContact O-CB 3.3Å; E287-K291 PolarHBondContact O-N 3.25Å; E287-L328 HydrophobicContact CG-CD1 4.4Å; E287-Q331 HydrophobicContact CB-CG 4.48Å; E287-I335 HydrophobicContact CB-CD1 3.94Å; E287-I335 HydrophobicContact CG-CD1 4.42Å; E287-I335 WeakPolarHBondContact OE2-CD1 3.39Å
288	A	74.9	Confident	80.9	Confident	34 Å²	34	68.7 Å²	68.7	28%	0.281	32%	0.319	S	S	.	.	H	α-helix	trans	-59.7	-42	179.4	0	0	0	0	0	111.7	V284 A285 K291 G292	V284-A288 PolarHBondContact O-N 2.78Å; A285-A288 PolarHBondContact O-N 3.43Å; A288-K291 PolarHBondContact O-N 3.38Å; A288-G292 PolarHBondContact O-N 2.89Å
289	H	78.5	Confident	81.4	Confident	134 Å²	134	70.6 Å²	70.6	62%	0.62	33%	0.333	S	S	*	.	H	α-helix	trans	-62.3	-49.6	176.3	179.3	-93.5	0	0	0	112.3	A285 E286 E287 K291 G292 Y293	A285-H289 WeakPolarHBondContact O-CB 3.46Å; A285-H289 PolarHBondContact O-N 2.95Å; E286-H289 PolarHBondContact O-N 3.48Å; E287-H289 VanDerWaalsContact C-N 3.31Å; E287-H289 PolarHBondContact O-N 3.45Å; H289-K291 VanDerWaalsContact C-N 3.31Å; H289-K291 PolarHBondContact O-N 2.89Å; H289-G292 PolarHBondContact O-N 3.21Å; H289-Y293 PolarHBondContact O-N 3.02Å
290	R	86.6	Confident	81.9	Confident	68 Å²	68	65.4 Å²	65.4	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-38.1	178.5	-70.3	-179.1	-170.4	-168.4	7.1	111.9	E286 E287 Y293 L294 A327 L328	E286-R290 WeakPolarHBondContact O-CG 3.02Å; E286-R290 PolarHBondContact O-N 3.48Å; E286-R290 IonicContact OE1-CZ 3.28Å; E286-R290 IonicContact OE1-NE 3.49Å; E286-R290 IonicContact OE1-NH2 2.74Å; E286-R290 PolarHBondContact OE1-NH2 2.85Å; E287-R290 PolarHBondContact O-N 2.94Å; R290-Y293 PolarHBondContact O-N 3.4Å; R290-L294 PolarHBondContact O-N 3.32Å; R290-A327 PolarHBondContact NH1-O 3.32Å; R290-L328 HydrophobicContact CB-CB 4.45Å; R290-L328 HydrophobicContact CB-CD1 3.94Å
291	K	84.6	Confident	82.9	Confident	87 Å²	87	65.8 Å²	65.8	38%	0.378	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-44.8	174.9	-174.5	-175.8	179.8	-168.1	0	111.7	E214 E287 A288 H289 L294 R295 L328	E214-K291 IonicContact OE1-NZ 3.23Å; E287-K291 WeakPolarHBondContact O-CB 3.3Å; E287-K291 PolarHBondContact O-N 3.25Å; A288-K291 PolarHBondContact O-N 3.38Å; H289-K291 VanDerWaalsContact C-N 3.31Å; H289-K291 PolarHBondContact O-N 2.89Å; K291-L294 PolarHBondContact O-N 2.91Å; K291-R295 VanDerWaalsContact CE-NH2 3.34Å; K291-R295 PolarHBondContact O-N 3.14Å; K291-R295 VanDerWaalsContact O-N 3.16Å; K291-L328 HydrophobicContact CB-CD1 4.24Å; K291-L328 HydrophobicContact CB-CD2 4.43Å
292	G	81.8	Confident	83.9	Confident	4 Å²	4	70.3 Å²	70.3	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-46.4	174.9	0	0	0	0	0	112.1	A288 H289 L294 R295 Y296	A288-G292 PolarHBondContact O-N 2.89Å; H289-G292 PolarHBondContact O-N 3.21Å; G292-L294 PolarHBondContact O-N 3.41Å; G292-R295 PolarHBondContact O-N 3.45Å; G292-Y296 PolarHBondContact O-N 3.46Å
293	Y	84.8	Confident	84.4	Confident	105 Å²	105	66.9 Å²	66.9	41%	0.412	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-40	177.3	-173.1	-105.5	0	0	0	112.9	H289 R290 R295 Y296 V297	H289-Y293 PolarHBondContact O-N 3.02Å; R290-Y293 PolarHBondContact O-N 3.4Å; Y293-R295 PolarHBondContact O-N 2.98Å; Y293-Y296 HydrophobicContact CD2-CD1 4.31Å; Y293-Y296 HydrophobicContact CE2-CD1 4.25Å; Y293-Y296 WeakPolarHBondContact O-CB 3.45Å; Y293-Y296 PolarHBondContact O-N 3.46Å; Y293-V297 HydrophobicContact CD1-CG2 4.23Å; Y293-V297 HydrophobicContact CE1-CG2 3.84Å; Y293-V297 HydrophobicContact CE2-CG2 4.47Å; Y293-V297 WeakPolarHBondContact O-CG2 3.4Å; Y293-V297 PolarHBondContact O-N 3.39Å
294	L	89.6	Confident	85	Confident	32 Å²	32	68.8 Å²	68.8	17%	0.168	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-43.8	174.8	179.9	65.4	0	0	0	111.9	R290 K291 G292 V297 H298 L321 C324 Y325 L328	R290-L294 PolarHBondContact O-N 3.32Å; K291-L294 PolarHBondContact O-N 2.91Å; G292-L294 PolarHBondContact O-N 3.41Å; L294-V297 PolarHBondContact O-N 3.33Å; L294-H298 PolarHBondContact O-N 3.18Å; L294-H298 VanDerWaalsContact O-N 3.08Å; L294-L321 HydrophobicContact CD1-CD1 3.68Å; L294-L321 HydrophobicContact CD1-CG 4.34Å; L294-C324 HydrophobicContact CD1-CB 3.8Å; L294-Y325 HydrophobicContact CD2-CD2 3.99Å; L294-L328 HydrophobicContact CD2-CD2 3.92Å
295	R	86.8	Confident	85.9	Confident	111 Å²	111	69.6 Å²	69.6	42%	0.419	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-41.7	175.4	-71.5	-176.3	-176.1	146	-11.3	111.9	E214 K291 G292 Y293 H298 S299	E214-R295 IonicContact OE1-CZ 3.56Å; E214-R295 IonicContact OE1-NH1 2.77Å; E214-R295 PolarHBondContact OE1-NH1 2.73Å; E214-R295 IonicContact OE1-NH2 3.86Å; E214-R295 PolarHBondContact OE1-NH2 3.43Å; E214-R295 IonicContact OE2-CZ 3.37Å; E214-R295 IonicContact OE2-NH1 2.98Å; E214-R295 PolarHBondContact OE2-NH1 3.19Å; E214-R295 IonicContact OE2-NH2 3.94Å; K291-R295 VanDerWaalsContact CE-NH2 3.34Å; K291-R295 PolarHBondContact O-N 3.14Å; K291-R295 VanDerWaalsContact O-N 3.16Å; G292-R295 PolarHBondContact O-N 3.45Å; Y293-R295 PolarHBondContact O-N 2.98Å; R295-H298 PolarHBondContact O-N 3.3Å; R295-S299 WeakPolarHBondContact O-CB 3.46Å; R295-S299 PolarHBondContact O-N 2.84Å
296	Y	85.5	Confident	86.8	Confident	117 Å²	117	74 Å²	74	46%	0.459	37%	0.365	S	S	.	.	H	α-helix	trans	-58.2	-49	175.8	167.8	-99.8	0	0	0	111.9	G292 Y293 H298 S299 R300	G292-Y296 PolarHBondContact O-N 3.46Å; Y293-Y296 HydrophobicContact CD2-CD1 4.31Å; Y293-Y296 HydrophobicContact CE2-CD1 4.25Å; Y293-Y296 WeakPolarHBondContact O-CB 3.45Å; Y293-Y296 PolarHBondContact O-N 3.46Å; Y296-H298 VanDerWaalsContact C-N 3.28Å; Y296-H298 PolarHBondContact O-N 3.46Å; Y296-S299 PolarHBondContact O-N 3.23Å; Y296-R300 PolarHBondContact O-N 2.92Å
297	V	88.7	Confident	87.4	Confident	2 Å²	2	75 Å²	75	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-58.8	-42.3	176.4	173.1	0	0	0	0	110.9	Y293 L294 R300 I301 L321	Y293-V297 HydrophobicContact CD1-CG2 4.23Å; Y293-V297 HydrophobicContact CE1-CG2 3.84Å; Y293-V297 HydrophobicContact CE2-CG2 4.47Å; Y293-V297 WeakPolarHBondContact O-CG2 3.4Å; Y293-V297 PolarHBondContact O-N 3.39Å; L294-V297 PolarHBondContact O-N 3.33Å; V297-R300 PolarHBondContact O-N 3.42Å; V297-I301 HydrophobicContact CG1-CD1 4.46Å; V297-I301 WeakPolarHBondContact O-CG1 3.45Å; V297-I301 PolarHBondContact O-N 3.34Å; V297-L321 HydrophobicContact CG1-CD1 4.09Å
298	H	91.6	Very high	88	Confident	94 Å²	94	73.8 Å²	73.8	44%	0.435	37%	0.365	S	S	.	.	H	α-helix	trans	-66.3	-40.8	177.7	-162.8	-62.9	0	0	0	112.8	L294 R295 Y296 R300 I301 I302 L321	L294-H298 PolarHBondContact O-N 3.18Å; L294-H298 VanDerWaalsContact O-N 3.08Å; R295-H298 PolarHBondContact O-N 3.3Å; Y296-H298 VanDerWaalsContact C-N 3.28Å; Y296-H298 PolarHBondContact O-N 3.46Å; H298-R300 VanDerWaalsContact C-N 3.32Å; H298-R300 PolarHBondContact O-N 2.98Å; H298-I301 PolarHBondContact O-N 3.31Å; H298-I302 WeakPolarHBondContact O-CG1 2.95Å; H298-I302 PolarHBondContact O-N 2.89Å; H298-I302 VanDerWaalsContact O-N 3.16Å; H298-L321 HydrophobicContact CB-CD1 4.43Å
299	S	88.4	Confident	88.9	Confident	73 Å²	73	75.4 Å²	75.4	51%	0.51	38%	0.378	S	S	.	.	H	α-helix	trans	-62.4	-40	175.9	176.9	0	0	0	0	111.5	R295 Y296 I301 I302 A303	R295-S299 WeakPolarHBondContact O-CB 3.46Å; R295-S299 PolarHBondContact O-N 2.84Å; Y296-S299 PolarHBondContact O-N 3.23Å; S299-I301 VanDerWaalsContact C-N 3.32Å; S299-I301 PolarHBondContact O-N 3.01Å; S299-I302 PolarHBondContact O-N 2.88Å; S299-A303 WeakPolarHBondContact O-CB 3.38Å; S299-A303 PolarHBondContact O-N 3.42Å
300	R	90.1	Very high	89.8	Confident	100 Å²	100	76.4 Å²	76.4	38%	0.377	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-38.8	175.1	-168.6	-174.8	72	175.9	7.3	112.7	Y296 V297 H298 A303 N304 E317	Y296-R300 PolarHBondContact O-N 2.92Å; V297-R300 PolarHBondContact O-N 3.42Å; H298-R300 VanDerWaalsContact C-N 3.32Å; H298-R300 PolarHBondContact O-N 2.98Å; R300-A303 PolarHBondContact O-N 3.12Å; R300-N304 PolarHBondContact O-N 3.23Å; R300-N304 PolarHBondContact O-ND2 2.94Å; R300-E317 IonicContact NH2-OE1 3.57Å; R300-E317 IonicContact NH2-OE2 3.34Å
301	I	92.9	Very high	90.3	Very high	38 Å²	38	82.4 Å²	82.4	20%	0.195	41%	0.405	C	S	.	.	H	α-helix	trans	-63.9	-43.2	175.7	-67.6	167.4	0	0	0	110.4	V297 H298 S299 N304 A305 I308 E317	V297-I301 HydrophobicContact CG1-CD1 4.46Å; V297-I301 WeakPolarHBondContact O-CG1 3.45Å; V297-I301 PolarHBondContact O-N 3.34Å; H298-I301 PolarHBondContact O-N 3.31Å; S299-I301 VanDerWaalsContact C-N 3.32Å; S299-I301 PolarHBondContact O-N 3.01Å; I301-N304 CarbonylContact O-C 3.53Å; I301-N304 PolarHBondContact O-N 3.48Å; I301-A305 VanDerWaalsContact O-CA 3.28Å; I301-A305 WeakPolarHBondContact O-CA 3.47Å; I301-A305 WeakPolarHBondContact O-CB 3.45Å; I301-A305 PolarHBondContact O-N 2.96Å; I301-I308 HydrophobicContact CB-CD1 4.32Å; I301-I308 HydrophobicContact CG1-CD1 4.34Å; I301-I308 HydrophobicContact CG2-CD1 4.14Å; I301-E317 HydrophobicContact CD1-CB 4.11Å; I301-E317 HydrophobicContact CG1-CB 4.41Å; I301-E317 HydrophobicContact CG1-CG 4.46Å
302	I	90.8	Very high	90.8	Very high	116 Å²	116	88.2 Å²	88.2	60%	0.595	42%	0.424	S	S	*	.	H	α-helix	trans	-61.9	-45.4	176.5	-64.4	166.1	0	0	0	110.4	H298 S299 N304 A305	H298-I302 WeakPolarHBondContact O-CG1 2.95Å; H298-I302 PolarHBondContact O-N 2.89Å; H298-I302 VanDerWaalsContact O-N 3.16Å; S299-I302 PolarHBondContact O-N 2.88Å; I302-N304 VanDerWaalsContact C-N 3.27Å; I302-N304 PolarHBondContact O-N 3.29Å; I302-A305 PolarHBondContact O-N 3.01Å
303	A	87.8	Confident	91.5	Very high	63 Å²	63	89 Å²	89	52%	0.521	43%	0.432	S	S	.	.	H	α-helix	trans	-67.4	-23.6	-176.2	0	0	0	0	0	114.4	S299 R300	S299-A303 WeakPolarHBondContact O-CB 3.38Å; S299-A303 PolarHBondContact O-N 3.42Å; R300-A303 PolarHBondContact O-N 3.12Å
304	N	92.6	Very high	91.9	Very high	67 Å²	67	89.7 Å²	89.7	36%	0.358	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	31	-178.7	-51.8	-91	0	0	0	111.2	R300 I301 I302 E306 E307 I308	R300-N304 PolarHBondContact O-N 3.23Å; R300-N304 PolarHBondContact O-ND2 2.94Å; I301-N304 CarbonylContact O-C 3.53Å; I301-N304 PolarHBondContact O-N 3.48Å; I302-N304 VanDerWaalsContact C-N 3.27Å; I302-N304 PolarHBondContact O-N 3.29Å; N304-E306 VanDerWaalsContact C-N 3.28Å; N304-E306 PolarHBondContact O-N 3.04Å; N304-E307 WeakPolarHBondContact CA-OE2 3.41Å; N304-E307 PolarHBondContact O-N 2.99Å; N304-I308 HydrophobicContact CB-CD1 4.39Å; N304-I308 WeakPolarHBondContact O-CB 3.09Å; N304-I308 WeakPolarHBondContact O-CD1 3.49Å; N304-I308 WeakPolarHBondContact O-CG1 3.28Å; N304-I308 PolarHBondContact O-N 3.35Å
305	A	92.8	Very high	92.3	Very high	52 Å²	52	95.4 Å²	95.4	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-37.3	-171.5	0	0	0	0	0	111.8	I301 I302 A309	I301-A305 VanDerWaalsContact O-CA 3.28Å; I301-A305 WeakPolarHBondContact O-CA 3.47Å; I301-A305 WeakPolarHBondContact O-CB 3.45Å; I301-A305 PolarHBondContact O-N 2.96Å; I302-A305 PolarHBondContact O-N 3.01Å; A305-A309 VanDerWaalsContact O-CB 3.31Å; A305-A309 WeakPolarHBondContact O-CB 3.09Å; A305-A309 PolarHBondContact O-N 2.97Å
306	E	90.1	Very high	92.7	Very high	133 Å²	133	95.2 Å²	95.2	62%	0.621	47%	0.474	S	S	*	.	H	α-helix	trans	-67.2	-48.1	179.4	-175.3	173.7	-174.6	0	0	111.2	N304 I308 A309 F310	N304-E306 VanDerWaalsContact C-N 3.28Å; N304-E306 PolarHBondContact O-N 3.04Å; E306-I308 PolarHBondContact O-N 3.21Å; E306-A309 WeakPolarHBondContact O-CB 3.45Å; E306-A309 PolarHBondContact O-N 3.46Å; E306-A309 VanDerWaalsContact O-N 3.15Å; E306-F310 HydrophobicContact CG-CD2 3.77Å; E306-F310 HydrophobicContact CG-CE2 3.41Å; E306-F310 VanDerWaalsContact CG-CE2 3.41Å; E306-F310 HydrophobicContact CG-CZ 4.37Å; E306-F310 VanDerWaalsContact O-CD2 3.22Å; E306-F310 WeakPolarHBondContact O-CD2 3.36Å; E306-F310 PolarHBondContact O-N 2.91Å; E306-F310 WeakPolarHBondContact OE1-CE2 2.96Å
307	E	94.1	Very high	93.2	Very high	89 Å²	89	91.5 Å²	91.5	42%	0.416	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-43.9	176.8	-61.6	87.5	163.6	0	0	111.2	N304 A309 F310 Y311	N304-E307 WeakPolarHBondContact CA-OE2 3.41Å; N304-E307 PolarHBondContact O-N 2.99Å; E307-A309 VanDerWaalsContact C-N 3.28Å; E307-A309 PolarHBondContact O-N 3.02Å; E307-F310 PolarHBondContact O-N 3.18Å; E307-Y311 HydrophobicContact CB-CD2 4.47Å; E307-Y311 HydrophobicContact CB-CE2 4.24Å; E307-Y311 WeakPolarHBondContact O-CD2 3Å; E307-Y311 PolarHBondContact O-N 3.44Å
308	I	94.5	Very high	93.5	Very high	30 Å²	30	97.1 Å²	97.1	15%	0.154	49%	0.488	C	S	.	.	H	α-helix	trans	-61	-40.2	176.4	-67.2	162.7	0	0	0	110.8	I301 N304 E306 R312 G313 E317	I301-I308 HydrophobicContact CB-CD1 4.32Å; I301-I308 HydrophobicContact CG1-CD1 4.34Å; I301-I308 HydrophobicContact CG2-CD1 4.14Å; N304-I308 HydrophobicContact CB-CD1 4.39Å; N304-I308 WeakPolarHBondContact O-CB 3.09Å; N304-I308 WeakPolarHBondContact O-CD1 3.49Å; N304-I308 WeakPolarHBondContact O-CG1 3.28Å; N304-I308 PolarHBondContact O-N 3.35Å; E306-I308 PolarHBondContact O-N 3.21Å; I308-R312 PolarHBondContact O-N 3.33Å; I308-R312 VanDerWaalsContact O-N 3.08Å; I308-G313 PolarHBondContact O-N 3.45Å; I308-E317 HydrophobicContact CD1-CG 4.13Å; I308-E317 HydrophobicContact CG1-CG 4.41Å; I308-E317 HydrophobicContact CG2-CG 4.07Å
309	A	94.9	Very high	93.8	Very high	68 Å²	68	96.5 Å²	96.5	56%	0.562	49%	0.494	S	S	*	.	H	α-helix	trans	-66.7	-44	177.2	0	0	0	0	0	111.7	A305 E306 E307 Y311 R312	A305-A309 VanDerWaalsContact O-CB 3.31Å; A305-A309 WeakPolarHBondContact O-CB 3.09Å; A305-A309 PolarHBondContact O-N 2.97Å; E306-A309 WeakPolarHBondContact O-CB 3.45Å; E306-A309 PolarHBondContact O-N 3.46Å; E306-A309 VanDerWaalsContact O-N 3.15Å; E307-A309 VanDerWaalsContact C-N 3.28Å; E307-A309 PolarHBondContact O-N 3.02Å; A309-Y311 PolarHBondContact O-N 2.98Å; A309-R312 PolarHBondContact O-N 3.45Å
310	F	96.3	Very high	94.1	Very high	155 Å²	155	96.3 Å²	96.3	68%	0.68	48%	0.484	S	S	*	.	H	α-helix	trans	-58	-46.6	175.3	-82.3	-57.2	0	0	0	112.2	E306 E307 R312	E306-F310 HydrophobicContact CG-CD2 3.77Å; E306-F310 HydrophobicContact CG-CE2 3.41Å; E306-F310 VanDerWaalsContact CG-CE2 3.41Å; E306-F310 HydrophobicContact CG-CZ 4.37Å; E306-F310 VanDerWaalsContact O-CD2 3.22Å; E306-F310 WeakPolarHBondContact O-CD2 3.36Å; E306-F310 PolarHBondContact O-N 2.91Å; E306-F310 WeakPolarHBondContact OE1-CE2 2.96Å; E307-F310 PolarHBondContact O-N 3.18Å; F310-R312 PolarHBondContact O-N 2.95Å
311	Y	96.9	Very high	94.3	Very high	195 Å²	195	93.8 Å²	93.8	77%	0.765	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-4.9	176.5	-63.6	-56.4	0	0	0	113.7	E307 A309 G313	E307-Y311 HydrophobicContact CB-CD2 4.47Å; E307-Y311 HydrophobicContact CB-CE2 4.24Å; E307-Y311 WeakPolarHBondContact O-CD2 3Å; E307-Y311 PolarHBondContact O-N 3.44Å; A309-Y311 PolarHBondContact O-N 2.98Å; Y311-G313 PolarHBondContact O-N 2.83Å
312	R	95.6	Very high	94.5	Very high	208 Å²	208	96.1 Å²	96.1	79%	0.785	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	33.6	-172.5	-55.9	177.9	174.4	-178.9	-2.2	112.3	I308 A309 F310 H314	I308-R312 PolarHBondContact O-N 3.33Å; I308-R312 VanDerWaalsContact O-N 3.08Å; A309-R312 PolarHBondContact O-N 3.45Å; F310-R312 PolarHBondContact O-N 2.95Å; R312-H314 VanDerWaalsContact C-N 3.26Å; R312-H314 PolarHBondContact O-N 3.4Å; R312-H314 PolarHBondContact O-ND1 3.46Å; R312-H314 VanDerWaalsContact O-ND1 3.12Å
313	G	96.1	Very high	94.8	Very high	20 Å²	20	97.3 Å²	97.3	21%	0.206	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1	-172.8	0	0	0	0	0	116.2	I308 Y311 K315 V316 E317	I308-G313 PolarHBondContact O-N 3.45Å; Y311-G313 PolarHBondContact O-N 2.83Å; G313-K315 VanDerWaalsContact C-N 3.28Å; G313-K315 PolarHBondContact O-N 3.47Å; G313-K315 VanDerWaalsContact O-N 3.08Å; G313-V316 PolarHBondContact O-N 3.35Å; G313-E317 PolarHBondContact O-N 2.94Å
314	H	95.1	Very high	95.1	Very high	120 Å²	120	95 Å²	95	56%	0.556	47%	0.469	S	S	*	.	H	α-helix	trans	-50.1	-37.6	-173.4	62.8	-79	0	0	0	115	R312 M318	R312-H314 VanDerWaalsContact C-N 3.26Å; R312-H314 PolarHBondContact O-N 3.4Å; R312-H314 PolarHBondContact O-ND1 3.46Å; R312-H314 VanDerWaalsContact O-ND1 3.12Å; H314-M318 VanDerWaalsContact O-CB 3.27Å; H314-M318 WeakPolarHBondContact O-CB 3.27Å; H314-M318 PolarHBondContact O-N 3.09Å
315	K	96.3	Very high	95.3	Very high	152 Å²	152	98.7 Å²	98.7	66%	0.661	48%	0.479	S	S	*	.	H	α-helix	trans	-66.9	-38.2	179	-64	-174.7	-177.9	175.9	0	112.8	G313 C319	G313-K315 VanDerWaalsContact C-N 3.28Å; G313-K315 PolarHBondContact O-N 3.47Å; G313-K315 VanDerWaalsContact O-N 3.08Å; K315-C319 WeakPolarHBondContact O-CB 3.43Å; K315-C319 PolarHBondContact O-N 3.29Å; K315-C319 VanDerWaalsContact O-N 3.08Å
316	V	95.8	Very high	95.5	Very high	107 Å²	107	102.8 Å²	102.8	65%	0.648	48%	0.484	S	S	*	.	H	α-helix	trans	-70.4	-47.6	-179.9	178.5	0	0	0	0	109.6	G313 M318 C319 Q320	G313-V316 PolarHBondContact O-N 3.35Å; V316-M318 VanDerWaalsContact C-N 3.33Å; V316-M318 PolarHBondContact O-N 2.93Å; V316-C319 WeakPolarHBondContact O-CB 3.48Å; V316-C319 PolarHBondContact O-N 2.92Å; V316-Q320 PolarHBondContact O-N 3.04Å
317	E	96.2	Very high	95.7	Very high	40 Å²	40	98.3 Å²	98.3	19%	0.187	47%	0.469	C	S	.	.	H	α-helix	trans	-62	-40.1	177	-67.2	-60.2	152.8	0	0	111.7	R300 I301 I308 G313 C319 Q320 L321	R300-E317 IonicContact NH2-OE1 3.57Å; R300-E317 IonicContact NH2-OE2 3.34Å; I301-E317 HydrophobicContact CD1-CB 4.11Å; I301-E317 HydrophobicContact CG1-CB 4.41Å; I301-E317 HydrophobicContact CG1-CG 4.46Å; I308-E317 HydrophobicContact CD1-CG 4.13Å; I308-E317 HydrophobicContact CG1-CG 4.41Å; I308-E317 HydrophobicContact CG2-CG 4.07Å; G313-E317 PolarHBondContact O-N 2.94Å; E317-C319 PolarHBondContact O-N 3.38Å; E317-Q320 PolarHBondContact O-N 2.77Å; E317-L321 WeakPolarHBondContact O-CB 3.11Å; E317-L321 PolarHBondContact O-N 3.41Å
318	M	95.6	Very high	95.8	Very high	120 Å²	120	94.7 Å²	94.7	59%	0.591	45%	0.452	S	S	*	.	H	α-helix	trans	-60.4	-45.7	173.7	-174.8	-173.3	76.8	0	0	112.2	H314 V316 Q320 L321 Q322	H314-M318 VanDerWaalsContact O-CB 3.27Å; H314-M318 WeakPolarHBondContact O-CB 3.27Å; H314-M318 PolarHBondContact O-N 3.09Å; V316-M318 VanDerWaalsContact C-N 3.33Å; V316-M318 PolarHBondContact O-N 2.93Å; M318-Q320 VanDerWaalsContact C-N 3.33Å; M318-Q320 PolarHBondContact O-N 3.31Å; M318-L321 PolarHBondContact O-N 3.05Å; M318-Q322 VanDerWaalsContact O-CB 3.31Å; M318-Q322 WeakPolarHBondContact O-CB 3.43Å; M318-Q322 PolarHBondContact O-N 3.48Å
319	C	96.8	Very high	95.9	Very high	81 Å²	81	94.4 Å²	94.4	55%	0.547	46%	0.455	S	S	.	.	H	α-helix	trans	-60.9	-43.4	178.1	-175.8	0	0	0	0	111.4	K315 V316 E317 Q322 K323	K315-C319 WeakPolarHBondContact O-CB 3.43Å; K315-C319 PolarHBondContact O-N 3.29Å; K315-C319 VanDerWaalsContact O-N 3.08Å; V316-C319 WeakPolarHBondContact O-CB 3.48Å; V316-C319 PolarHBondContact O-N 2.92Å; E317-C319 PolarHBondContact O-N 3.38Å; C319-Q322 PolarHBondContact O-N 3.46Å; C319-K323 WeakPolarHBondContact O-CB 3.42Å; C319-K323 PolarHBondContact O-N 2.79Å
320	Q	95	Very high	95.9	Very high	68 Å²	68	96.2 Å²	96.2	32%	0.318	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-44.9	177.7	-176.6	66.5	-0.8	0	0	111.8	V316 E317 M318 K323 C324	V316-Q320 PolarHBondContact O-N 3.04Å; E317-Q320 PolarHBondContact O-N 2.77Å; M318-Q320 VanDerWaalsContact C-N 3.33Å; M318-Q320 PolarHBondContact O-N 3.31Å; Q320-K323 WeakPolarHBondContact O-CB 3.33Å; Q320-K323 PolarHBondContact O-N 3.5Å; Q320-C324 PolarHBondContact O-N 2.93Å; Q320-C324 PolarHBondContact O-SG 3.44Å
321	L	95.4	Very high	95.8	Very high	48 Å²	48	89.3 Å²	89.3	25%	0.251	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-43.8	178	-167.8	70.9	0	0	0	111.1	L294 V297 H298 E317 M318 K323 C324 Y325	L294-L321 HydrophobicContact CD1-CD1 3.68Å; L294-L321 HydrophobicContact CD1-CG 4.34Å; V297-L321 HydrophobicContact CG1-CD1 4.09Å; H298-L321 HydrophobicContact CB-CD1 4.43Å; E317-L321 WeakPolarHBondContact O-CB 3.11Å; E317-L321 PolarHBondContact O-N 3.41Å; M318-L321 PolarHBondContact O-N 3.05Å; L321-K323 VanDerWaalsContact C-N 3.33Å; L321-K323 PolarHBondContact O-N 3.3Å; L321-C324 PolarHBondContact O-N 3.3Å; L321-Y325 PolarHBondContact O-N 3.45Å
322	Q	96.7	Very high	95.4	Very high	86 Å²	86	83.9 Å²	83.9	40%	0.402	41%	0.408	S	S	.	.	H	α-helix	trans	-64.4	-37.6	177.9	-164.8	177.5	16.8	0	0	111.9	M318 C319 Y325 R326	M318-Q322 VanDerWaalsContact O-CB 3.31Å; M318-Q322 WeakPolarHBondContact O-CB 3.43Å; M318-Q322 PolarHBondContact O-N 3.48Å; C319-Q322 PolarHBondContact O-N 3.46Å; Q322-Y325 PolarHBondContact O-N 2.95Å; Q322-R326 WeakPolarHBondContact O-CB 3.35Å; Q322-R326 WeakPolarHBondContact O-CG 3.16Å; Q322-R326 PolarHBondContact O-N 2.74Å
323	K	96.4	Very high	95.4	Very high	141 Å²	141	78.7 Å²	78.7	61%	0.613	40%	0.395	S	S	*	.	H	α-helix	trans	-61.9	-45.5	173.7	-176.6	-179.1	177.6	-176.7	0	111.7	C319 Q320 L321 R326 A327	C319-K323 WeakPolarHBondContact O-CB 3.42Å; C319-K323 PolarHBondContact O-N 2.79Å; Q320-K323 WeakPolarHBondContact O-CB 3.33Å; Q320-K323 PolarHBondContact O-N 3.5Å; L321-K323 VanDerWaalsContact C-N 3.33Å; L321-K323 PolarHBondContact O-N 3.3Å; K323-R326 PolarHBondContact O-N 3.42Å; K323-A327 PolarHBondContact O-N 3.2Å; K323-A327 VanDerWaalsContact O-N 3.11Å
324	C	94.4	Very high	95.2	Very high	16 Å²	16	81.4 Å²	81.4	11%	0.108	41%	0.405	C	S	.	.	H	α-helix	trans	-63.2	-42.6	177.2	-62.4	0	0	0	0	111.5	L294 Q320 L321 A327 L328	L294-C324 HydrophobicContact CD1-CB 3.8Å; Q320-C324 PolarHBondContact O-N 2.93Å; Q320-C324 PolarHBondContact O-SG 3.44Å; L321-C324 PolarHBondContact O-N 3.3Å; C324-A327 PolarHBondContact O-N 2.83Å; C324-L328 PolarHBondContact O-N 3.2Å; C324-L328 VanDerWaalsContact O-N 3.11Å
325	Y	97	Very high	94.8	Very high	144 Å²	144	76.5 Å²	76.5	57%	0.565	38%	0.382	S	S	*	.	H	α-helix	trans	-65.7	-43.1	177.4	-178.5	-101.6	0	0	0	112.8	L294 L321 Q322 A327 L328 A329	L294-Y325 HydrophobicContact CD2-CD2 3.99Å; L321-Y325 PolarHBondContact O-N 3.45Å; Q322-Y325 PolarHBondContact O-N 2.95Å; Y325-A327 VanDerWaalsContact C-N 3.31Å; Y325-A327 PolarHBondContact O-N 3.39Å; Y325-L328 WeakPolarHBondContact O-CB 3.16Å; Y325-L328 PolarHBondContact O-N 2.72Å; Y325-L328 VanDerWaalsContact O-N 3.12Å; Y325-A329 WeakPolarHBondContact O-CB 3.27Å; Y325-A329 PolarHBondContact O-N 3.48Å
326	R	97	Very high	94.4	Very high	138 Å²	138	74.1 Å²	74.1	52%	0.521	38%	0.376	S	S	.	.	H	α-helix	trans	-59	-43.5	175.2	-74.7	178.1	-167.6	155	4.4	111.5	Q322 K323 L328 A329 D330	Q322-R326 WeakPolarHBondContact O-CB 3.35Å; Q322-R326 WeakPolarHBondContact O-CG 3.16Å; Q322-R326 PolarHBondContact O-N 2.74Å; K323-R326 PolarHBondContact O-N 3.42Å; R326-L328 VanDerWaalsContact C-N 3.29Å; R326-L328 PolarHBondContact O-N 3.28Å; R326-A329 PolarHBondContact O-N 3.27Å; R326-D330 VanDerWaalsContact O-CG 3.29Å; R326-D330 PolarHBondContact O-N 3.04Å
327	A	94.7	Very high	94.2	Very high	38 Å²	38	72.3 Å²	72.3	31%	0.314	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-37.8	175.4	0	0	0	0	0	112.5	R290 K323 C324 Y325 Q331	R290-A327 PolarHBondContact NH1-O 3.32Å; K323-A327 PolarHBondContact O-N 3.2Å; K323-A327 VanDerWaalsContact O-N 3.11Å; C324-A327 PolarHBondContact O-N 2.83Å; Y325-A327 VanDerWaalsContact C-N 3.31Å; Y325-A327 PolarHBondContact O-N 3.39Å; A327-Q331 PolarHBondContact O-N 3.38Å
328	L	94.9	Very high	93.8	Very high	13 Å²	13	74.4 Å²	74.4	7%	0.068	38%	0.377	C	S	.	.	H	α-helix	trans	-66.4	-47.1	173	177.7	62.5	0	0	0	111.4	E287 R290 K291 L294 C324 Y325 R326 D330 Q331 M332	E287-L328 HydrophobicContact CG-CD1 4.4Å; R290-L328 HydrophobicContact CB-CB 4.45Å; R290-L328 HydrophobicContact CB-CD1 3.94Å; K291-L328 HydrophobicContact CB-CD1 4.24Å; K291-L328 HydrophobicContact CB-CD2 4.43Å; L294-L328 HydrophobicContact CD2-CD2 3.92Å; C324-L328 PolarHBondContact O-N 3.2Å; C324-L328 VanDerWaalsContact O-N 3.11Å; Y325-L328 WeakPolarHBondContact O-CB 3.16Å; Y325-L328 PolarHBondContact O-N 2.72Å; Y325-L328 VanDerWaalsContact O-N 3.12Å; R326-L328 VanDerWaalsContact C-N 3.29Å; R326-L328 PolarHBondContact O-N 3.28Å; L328-D330 VanDerWaalsContact C-N 3.35Å; L328-D330 PolarHBondContact O-N 3.25Å; L328-Q331 WeakPolarHBondContact O-CB 3.34Å; L328-Q331 PolarHBondContact O-N 3.49Å; L328-Q331 VanDerWaalsContact O-N 3.16Å; L328-M332 HydrophobicContact CD1-CG 4.4Å; L328-M332 HydrophobicContact CD1-SD 4.46Å; L328-M332 HydrophobicContact CG-SD 4.21Å; L328-M332 WeakPolarHBondContact O-CG 3.45Å; L328-M332 PolarHBondContact O-N 2.92Å
329	A	96.4	Very high	93.3	Very high	25 Å²	25	73.5 Å²	73.5	21%	0.207	37%	0.367	C	S	.	.	H	α-helix	trans	-60.4	-42	-179.8	0	0	0	0	0	112.3	Y325 R326 Q331 M332 N333	Y325-A329 WeakPolarHBondContact O-CB 3.27Å; Y325-A329 PolarHBondContact O-N 3.48Å; R326-A329 PolarHBondContact O-N 3.27Å; A329-Q331 VanDerWaalsContact C-N 3.31Å; A329-Q331 PolarHBondContact O-N 3.07Å; A329-M332 PolarHBondContact O-N 3.04Å; A329-N333 WeakPolarHBondContact O-CB 3.47Å; A329-N333 VanDerWaalsContact O-CG 3.29Å; A329-N333 PolarHBondContact O-N 2.85Å; A329-N333 PolarHBondContact O-ND2 3.41Å
330	D	95.4	Very high	92.8	Very high	106 Å²	106	75.5 Å²	75.5	57%	0.567	37%	0.372	S	S	*	.	H	α-helix	trans	-62	-39.4	176.3	-70.5	-22.8	0	0	0	111.8	R326 L328 N333 L334	R326-D330 VanDerWaalsContact O-CG 3.29Å; R326-D330 PolarHBondContact O-N 3.04Å; L328-D330 VanDerWaalsContact C-N 3.35Å; L328-D330 PolarHBondContact O-N 3.25Å; D330-N333 PolarHBondContact O-N 2.92Å; D330-L334 WeakPolarHBondContact O-CB 3.48Å; D330-L334 PolarHBondContact O-N 2.94Å
331	Q	93.3	Very high	92.4	Very high	9 Å²	9	78.8 Å²	78.8	4%	0.042	38%	0.381	C	S	.	.	H	α-helix	trans	-65.7	-44.9	175	-170.5	68	-1.3	0	0	111.6	E286 E287 A327 L328 A329 N333 L334 I335	E286-Q331 PolarHBondContact OE2-NE2 3.19Å; E286-Q331 VanDerWaalsContact OE2-NE2 3.07Å; E287-Q331 HydrophobicContact CB-CG 4.48Å; A327-Q331 PolarHBondContact O-N 3.38Å; L328-Q331 WeakPolarHBondContact O-CB 3.34Å; L328-Q331 PolarHBondContact O-N 3.49Å; L328-Q331 VanDerWaalsContact O-N 3.16Å; A329-Q331 VanDerWaalsContact C-N 3.31Å; A329-Q331 PolarHBondContact O-N 3.07Å; Q331-N333 VanDerWaalsContact C-N 3.32Å; Q331-N333 PolarHBondContact O-N 2.71Å; Q331-L334 WeakPolarHBondContact O-CB 3.2Å; Q331-L334 PolarHBondContact O-N 3.3Å; Q331-I335 HydrophobicContact CG-CD1 4.22Å; Q331-I335 WeakPolarHBondContact O-CG1 3.29Å; Q331-I335 PolarHBondContact O-N 2.86Å
332	M	90.6	Very high	92	Very high	82 Å²	82	77.8 Å²	77.8	40%	0.404	37%	0.374	S	S	.	.	H	α-helix	trans	-61.6	-42.7	177.5	-68.6	-179.2	74.9	0	0	111	L328 A329 L334 I335 L336	L328-M332 HydrophobicContact CD1-CG 4.4Å; L328-M332 HydrophobicContact CD1-SD 4.46Å; L328-M332 HydrophobicContact CG-SD 4.21Å; L328-M332 WeakPolarHBondContact O-CG 3.45Å; L328-M332 PolarHBondContact O-N 2.92Å; A329-M332 PolarHBondContact O-N 3.04Å; M332-L334 VanDerWaalsContact C-N 3.35Å; M332-L334 PolarHBondContact O-N 3.41Å; M332-I335 PolarHBondContact O-N 3.16Å; M332-L336 VanDerWaalsContact O-CG 3.29Å; M332-L336 WeakPolarHBondContact O-CG 3.28Å; M332-L336 PolarHBondContact O-N 2.88Å
333	N	94.1	Very high	91.4	Very high	98 Å²	98	76.6 Å²	76.6	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-41	176	-75.3	-30.6	0	0	0	112.2	A329 D330 Q331 L336 S337	A329-N333 WeakPolarHBondContact O-CB 3.47Å; A329-N333 VanDerWaalsContact O-CG 3.29Å; A329-N333 PolarHBondContact O-N 2.85Å; A329-N333 PolarHBondContact O-ND2 3.41Å; D330-N333 PolarHBondContact O-N 2.92Å; Q331-N333 VanDerWaalsContact C-N 3.32Å; Q331-N333 PolarHBondContact O-N 2.71Å; N333-L336 PolarHBondContact O-N 3.39Å; N333-S337 WeakPolarHBondContact O-CB 3.47Å; N333-S337 PolarHBondContact O-N 3.39Å
334	L	91.4	Very high	91	Very high	77 Å²	77	74.8 Å²	74.8	40%	0.403	37%	0.365	S	S	.	.	H	α-helix	trans	-60.2	-45.6	173.9	180	67.5	0	0	0	111.4	L283 D330 Q331 M332 S337 K338	L283-L334 HydrophobicContact CD2-CD2 4.14Å; D330-L334 WeakPolarHBondContact O-CB 3.48Å; D330-L334 PolarHBondContact O-N 2.94Å; Q331-L334 WeakPolarHBondContact O-CB 3.2Å; Q331-L334 PolarHBondContact O-N 3.3Å; M332-L334 VanDerWaalsContact C-N 3.35Å; M332-L334 PolarHBondContact O-N 3.41Å; L334-S337 PolarHBondContact O-N 2.98Å; L334-K338 WeakPolarHBondContact O-CG 3.48Å; L334-K338 PolarHBondContact O-N 3.02Å
335	I	87.9	Confident	90.7	Very high	17 Å²	17	76.5 Å²	76.5	9%	0.087	37%	0.373	C	S	.	.	H	α-helix	trans	-61.4	-47.9	177.3	-69.3	168.7	0	0	0	110.6	L283 E287 Q331 M332 S337 K338 R339	L283-I335 HydrophobicContact CB-CD1 4.16Å; L283-I335 HydrophobicContact CB-CG1 3.9Å; L283-I335 HydrophobicContact CD1-CG1 4.47Å; E287-I335 HydrophobicContact CB-CD1 3.94Å; E287-I335 HydrophobicContact CG-CD1 4.42Å; E287-I335 WeakPolarHBondContact OE2-CD1 3.39Å; Q331-I335 HydrophobicContact CG-CD1 4.22Å; Q331-I335 WeakPolarHBondContact O-CG1 3.29Å; Q331-I335 PolarHBondContact O-N 2.86Å; M332-I335 PolarHBondContact O-N 3.16Å; I335-S337 PolarHBondContact O-N 2.7Å; I335-K338 PolarHBondContact O-N 2.85Å; I335-R339 WeakPolarHBondContact O-CB 3.44Å; I335-R339 PolarHBondContact O-N 3.14Å
336	L	88.1	Confident	90	Very high	102 Å²	102	70.3 Å²	70.3	53%	0.534	35%	0.349	S	S	.	.	H	α-helix	trans	-59.1	-45.5	178.8	-71.3	172.4	0	0	0	111.7	M332 N333 R339 L340	M332-L336 VanDerWaalsContact O-CG 3.29Å; M332-L336 WeakPolarHBondContact O-CG 3.28Å; M332-L336 PolarHBondContact O-N 2.88Å; N333-L336 PolarHBondContact O-N 3.39Å; L336-R339 PolarHBondContact O-N 3.35Å; L336-L340 PolarHBondContact O-N 2.89Å
337	S	90.3	Very high	89.4	Confident	70 Å²	70	66.2 Å²	66.2	49%	0.49	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-44.6	178.8	-177.7	0	0	0	0	112.5	N333 L334 I335	N333-S337 WeakPolarHBondContact O-CB 3.47Å; N333-S337 PolarHBondContact O-N 3.39Å; L334-S337 PolarHBondContact O-N 2.98Å; I335-S337 PolarHBondContact O-N 2.7Å
338	K	87.9	Confident	89	Confident	84 Å²	84	70.1 Å²	70.1	37%	0.365	35%	0.346	S	S	.	.	H	α-helix	trans	-68.7	-37.6	177.1	-68.1	-65.3	-176.6	-175.5	0	112.3	L334 I335 Y342	L334-K338 WeakPolarHBondContact O-CG 3.48Å; L334-K338 PolarHBondContact O-N 3.02Å; I335-K338 PolarHBondContact O-N 2.85Å; K338-Y342 PolarHBondContact O-N 3.13Å
339	R	85.4	Confident	88.5	Confident	100 Å²	100	70.6 Å²	70.6	38%	0.377	35%	0.348	S	S	.	.	H	α-helix	trans	-66.4	-38.5	-179.8	-174	173.2	-174.3	-169.2	-3.9	112.1	F280 I335 L336 W341 Y342 I343	F280-R339 HydrophobicContact CE1-CB 4.37Å; I335-R339 WeakPolarHBondContact O-CB 3.44Å; I335-R339 PolarHBondContact O-N 3.14Å; L336-R339 PolarHBondContact O-N 3.35Å; R339-W341 PolarHBondContact O-N 3.15Å; R339-Y342 PolarHBondContact O-N 3.46Å; R339-I343 HydrophobicContact CG-CD1 3.49Å; R339-I343 VanDerWaalsContact CG-CD1 3.49Å; R339-I343 HydrophobicContact CG-CG1 4.04Å; R339-I343 WeakPolarHBondContact O-CB 3.43Å; R339-I343 VanDerWaalsContact O-CG1 3.3Å; R339-I343 WeakPolarHBondContact O-CG1 3.36Å; R339-I343 PolarHBondContact O-N 3.48Å
340	L	86.7	Confident	87.6	Confident	124 Å²	124	69.8 Å²	69.8	65%	0.649	34%	0.34	S	S	*	.	H	α-helix	trans	-56.2	-52.1	179.1	179.9	66.1	0	0	0	112.3	L336 Y342 M344	L336-L340 PolarHBondContact O-N 2.89Å; L340-Y342 PolarHBondContact O-N 2.98Å; L340-M344 WeakPolarHBondContact O-CB 3.49Å; L340-M344 PolarHBondContact O-N 2.84Å
341	W	87.4	Confident	86.8	Confident	137 Å²	137	69.7 Å²	69.7	52%	0.519	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-42.9	-179.1	-81.3	103.9	0	0	0	112.8	R339 M344 I345	R339-W341 PolarHBondContact O-N 3.15Å; W341-M344 HydrophobicContact CE3-CE 3.64Å; W341-M344 HydrophobicContact CZ3-CE 3.6Å; W341-M344 PolarHBondContact O-N 3.37Å; W341-I345 WeakPolarHBondContact O-CG1 3.45Å; W341-I345 PolarHBondContact O-N 3.45Å
342	Y	85.7	Confident	86.3	Confident	26 Å²	26	77.2 Å²	77.2	10%	0.102	36%	0.364	C	S	.	.	H	α-helix	trans	-63.7	-50.4	178.7	177.4	-93.7	0	0	0	111.6	L273 F280 K338 R339 L340 M344 I345 E346	L273-Y342 HydrophobicContact CD2-CE2 4.48Å; F280-Y342 AromaticContact CE2-CD1 3.94Å; F280-Y342 HydrophobicContact CE2-CD1 3.94Å; F280-Y342 HydrophobicContact CE2-CD2 4.35Å; F280-Y342 HydrophobicContact CE2-CE1 4.23Å; F280-Y342 HydrophobicContact CE2-CG 4.01Å; F280-Y342 AromaticContact CZ-CD1 3.99Å; F280-Y342 HydrophobicContact CZ-CD1 3.99Å; F280-Y342 HydrophobicContact CZ-CG 4.02Å; K338-Y342 PolarHBondContact O-N 3.13Å; R339-Y342 PolarHBondContact O-N 3.46Å; L340-Y342 PolarHBondContact O-N 2.98Å; Y342-M344 VanDerWaalsContact C-N 3.27Å; Y342-M344 PolarHBondContact O-N 2.66Å; Y342-I345 PolarHBondContact O-N 2.99Å; Y342-E346 WeakPolarHBondContact CE1-OE2 3.44Å; Y342-E346 WeakPolarHBondContact O-CB 3.46Å; Y342-E346 PolarHBondContact O-N 3.22Å
343	I	84.4	Confident	86	Confident	62 Å²	62	76 Å²	76	32%	0.318	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-38.9	179.5	-69.5	178.5	0	0	0	110.8	R339 I345 E346 Q347	R339-I343 HydrophobicContact CG-CD1 3.49Å; R339-I343 VanDerWaalsContact CG-CD1 3.49Å; R339-I343 HydrophobicContact CG-CG1 4.04Å; R339-I343 WeakPolarHBondContact O-CB 3.43Å; R339-I343 VanDerWaalsContact O-CG1 3.3Å; R339-I343 WeakPolarHBondContact O-CG1 3.36Å; R339-I343 PolarHBondContact O-N 3.48Å; I343-I345 PolarHBondContact O-N 2.78Å; I343-E346 PolarHBondContact O-N 3.23Å; I343-Q347 HydrophobicContact CG2-CG 3.9Å; I343-Q347 VanDerWaalsContact O-CB 3.31Å; I343-Q347 WeakPolarHBondContact O-CB 3.23Å; I343-Q347 WeakPolarHBondContact O-CG 3.33Å; I343-Q347 PolarHBondContact O-N 3.37Å
344	M	88.3	Confident	85.2	Confident	103 Å²	103	73 Å²	73	51%	0.507	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-46.4	177.9	-173.3	-167.3	72	0	0	112	L340 W341 Y342 F348	L340-M344 WeakPolarHBondContact O-CB 3.49Å; L340-M344 PolarHBondContact O-N 2.84Å; W341-M344 HydrophobicContact CE3-CE 3.64Å; W341-M344 HydrophobicContact CZ3-CE 3.6Å; W341-M344 PolarHBondContact O-N 3.37Å; Y342-M344 VanDerWaalsContact C-N 3.27Å; Y342-M344 PolarHBondContact O-N 2.66Å; M344-F348 WeakPolarHBondContact O-CB 3.3Å; M344-F348 PolarHBondContact O-N 3.27Å
345	I	87.3	Confident	84.5	Confident	52 Å²	52	72.5 Å²	72.5	27%	0.267	35%	0.346	S	S	.	.	H	α-helix	trans	-65.1	-44.3	178	-67.7	170	0	0	0	110.6	L273 C276 W341 Y342 I343 F348 L349	L273-I345 HydrophobicContact CD2-CG2 4.33Å; C276-I345 HydrophobicContact CB-CD1 4.49Å; W341-I345 WeakPolarHBondContact O-CG1 3.45Å; W341-I345 PolarHBondContact O-N 3.45Å; Y342-I345 PolarHBondContact O-N 2.99Å; I343-I345 PolarHBondContact O-N 2.78Å; I345-F348 PolarHBondContact O-N 3.19Å; I345-L349 HydrophobicContact CG2-CD1 3.88Å; I345-L349 HydrophobicContact CG2-CG 4.47Å; I345-L349 WeakPolarHBondContact O-CG 3.33Å; I345-L349 PolarHBondContact O-N 3.03Å
346	E	83.3	Confident	84.2	Confident	14 Å²	14	73.3 Å²	73.3	7%	0.065	36%	0.358	C	S	.	.	H	α-helix	trans	-56.3	-53.8	176.9	-178.1	178.4	-154.7	0	0	111.9	L273 Y342 I343 F348 L349 M350	L273-E346 HydrophobicContact CD2-CB 4.07Å; Y342-E346 WeakPolarHBondContact CE1-OE2 3.44Å; Y342-E346 WeakPolarHBondContact O-CB 3.46Å; Y342-E346 PolarHBondContact O-N 3.22Å; I343-E346 PolarHBondContact O-N 3.23Å; E346-F348 VanDerWaalsContact C-N 3.31Å; E346-F348 PolarHBondContact O-N 3.06Å; E346-L349 PolarHBondContact O-N 3.34Å; E346-M350 HydrophobicContact CG-CE 3.5Å; E346-M350 HydrophobicContact CG-SD 3.81Å; E346-M350 WeakPolarHBondContact O-CB 3.47Å; E346-M350 WeakPolarHBondContact O-CG 3.47Å; E346-M350 PolarHBondContact O-N 2.88Å
347	Q	83.6	Confident	83.8	Confident	51 Å²	51	69.3 Å²	69.3	24%	0.238	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-37.2	179.6	-68.3	-70.5	-53.7	0	0	111.9	I343 K351 E415	I343-Q347 HydrophobicContact CG2-CG 3.9Å; I343-Q347 VanDerWaalsContact O-CB 3.31Å; I343-Q347 WeakPolarHBondContact O-CB 3.23Å; I343-Q347 WeakPolarHBondContact O-CG 3.33Å; I343-Q347 PolarHBondContact O-N 3.37Å; Q347-K351 VanDerWaalsContact O-CB 3.29Å; Q347-K351 WeakPolarHBondContact O-CB 3.28Å; Q347-K351 PolarHBondContact O-N 3.46Å; Q347-E415 PolarHBondContact NE2-OE1 3.06Å
348	F	86.7	Confident	83.1	Confident	121 Å²	121	66.3 Å²	66.3	53%	0.531	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-49.3	176.8	175.6	-101	0	0	0	112	M344 I345 E346 Y352 V353	M344-F348 WeakPolarHBondContact O-CB 3.3Å; M344-F348 PolarHBondContact O-N 3.27Å; I345-F348 PolarHBondContact O-N 3.19Å; E346-F348 VanDerWaalsContact C-N 3.31Å; E346-F348 PolarHBondContact O-N 3.06Å; F348-Y352 HydrophobicContact CD2-CD2 4.02Å; F348-Y352 WeakPolarHBondContact O-CB 3.39Å; F348-Y352 PolarHBondContact O-N 2.86Å; F348-Y352 VanDerWaalsContact O-N 3.14Å; F348-V353 HydrophobicContact CD1-CG2 4.45Å; F348-V353 HydrophobicContact CE1-CG2 4.01Å; F348-V353 HydrophobicContact CZ-CG2 4.5Å; F348-V353 PolarHBondContact O-N 2.7Å
349	L	84.4	Confident	82.5	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.115	32%	0.322	C	S	.	.	I	π-helix	trans	-64.6	-46.9	179.7	-67.3	170.9	0	0	0	111.2	T269 V272 L273 I345 E346 V353 W354	T269-L349 HydrophobicContact CG2-CB 3.98Å; T269-L349 HydrophobicContact CG2-CD1 4.17Å; V272-L349 HydrophobicContact CB-CD1 4.34Å; V272-L349 HydrophobicContact CG1-CD1 3.9Å; L273-L349 HydrophobicContact CD2-CD1 4.01Å; L273-L349 HydrophobicContact CG-CD1 4.06Å; I345-L349 HydrophobicContact CG2-CD1 3.88Å; I345-L349 HydrophobicContact CG2-CG 4.47Å; I345-L349 WeakPolarHBondContact O-CG 3.33Å; I345-L349 PolarHBondContact O-N 3.03Å; E346-L349 PolarHBondContact O-N 3.34Å; L349-V353 HydrophobicContact CD2-CG2 4.06Å; L349-V353 VanDerWaalsContact O-CB 3.3Å; L349-V353 WeakPolarHBondContact O-CB 3.46Å; L349-V353 PolarHBondContact O-N 3.46Å; L349-W354 PolarHBondContact O-N 3.38Å
350	M	77.1	Confident	82.1	Confident	9 Å²	9	64.9 Å²	64.9	4%	0.044	33%	0.325	C	S	.	.	I	π-helix	trans	-73.5	-39.2	-175.8	-68.1	177	-173.4	0	0	113.9	L273 E346 W354 E415 M418	L273-M350 HydrophobicContact CD1-CE 4.07Å; E346-M350 HydrophobicContact CG-CE 3.5Å; E346-M350 HydrophobicContact CG-SD 3.81Å; E346-M350 WeakPolarHBondContact O-CB 3.47Å; E346-M350 WeakPolarHBondContact O-CG 3.47Å; E346-M350 PolarHBondContact O-N 2.88Å; M350-W354 WeakPolarHBondContact O-CB 3.32Å; M350-E415 HydrophobicContact SD-CB 3.72Å; M350-E415 HydrophobicContact SD-CG 3.65Å; M350-M418 HydrophobicContact CE-CB 3.29Å; M350-M418 HydrophobicContact CE-CE 4.35Å; M350-M418 HydrophobicContact CE-CG 3.31Å
351	K	78.4	Confident	81.5	Confident	103 Å²	103	60.2 Å²	60.2	45%	0.448	30%	0.3	S	S	.	.	I	π-helix	trans	-86.2	-37.9	-175.8	-70	-178.4	169.8	164.9	0	113.2	Q347 S355	Q347-K351 VanDerWaalsContact O-CB 3.29Å; Q347-K351 WeakPolarHBondContact O-CB 3.28Å; Q347-K351 PolarHBondContact O-N 3.46Å; K351-S355 WeakPolarHBondContact O-CB 3.41Å
352	Y	83.3	Confident	80.7	Confident	167 Å²	167	54.4 Å²	54.4	66%	0.655	28%	0.28	S	S	*	.	I	π-helix	trans	-102.1	-48.5	-172.6	-60.7	-79.8	0	0	0	112.7	F348 G356	F348-Y352 HydrophobicContact CD2-CD2 4.02Å; F348-Y352 WeakPolarHBondContact O-CB 3.39Å; F348-Y352 PolarHBondContact O-N 2.86Å; F348-Y352 VanDerWaalsContact O-N 3.14Å; Y352-G356 PolarHBondContact O-N 3.4Å
353	V	83.5	Confident	80.1	Confident	57 Å²	57	54.8 Å²	54.8	35%	0.345	29%	0.288	S	S	.	.	I	π-helix	trans	-67.9	-42.9	-177.8	180	0	0	0	0	110.8	F348 L349 S357	F348-V353 HydrophobicContact CD1-CG2 4.45Å; F348-V353 HydrophobicContact CE1-CG2 4.01Å; F348-V353 HydrophobicContact CZ-CG2 4.5Å; F348-V353 PolarHBondContact O-N 2.7Å; L349-V353 HydrophobicContact CD2-CG2 4.06Å; L349-V353 VanDerWaalsContact O-CB 3.3Å; L349-V353 WeakPolarHBondContact O-CB 3.46Å; L349-V353 PolarHBondContact O-N 3.46Å; V353-S357 WeakPolarHBondContact O-CB 3.09Å; V353-S357 PolarHBondContact O-N 3.28Å
354	W	77.8	Confident	79.5	Confident	34 Å²	34	54.8 Å²	54.8	13%	0.129	29%	0.291	C	S	.	.	H	α-helix	trans	-72.3	-40.3	178.8	-73.4	35.9	0	0	0	113.2	V266 T269 L349 M350 G356 S357 G358 A411 I414	V266-W354 HydrophobicContact CB-CZ2 4.39Å; V266-W354 HydrophobicContact CG2-CH2 3.66Å; V266-W354 HydrophobicContact CG2-CZ2 3.76Å; T269-W354 PolarHBondContact OG1-NE1 3.48Å; T269-W354 VanDerWaalsContact OG1-NE1 3.1Å; L349-W354 PolarHBondContact O-N 3.38Å; M350-W354 WeakPolarHBondContact O-CB 3.32Å; W354-G356 VanDerWaalsContact C-N 3.32Å; W354-G356 PolarHBondContact O-N 2.86Å; W354-S357 PolarHBondContact O-N 3.44Å; W354-G358 PolarHBondContact O-N 2.99Å; W354-A411 HydrophobicContact CE3-CB 4.41Å; W354-I414 HydrophobicContact CH2-CB 3.89Å; W354-I414 HydrophobicContact CH2-CD1 3.85Å; W354-I414 HydrophobicContact CH2-CG1 4.38Å; W354-I414 HydrophobicContact CH2-CG2 3.26Å; W354-I414 HydrophobicContact CZ2-CG2 4.28Å; W354-I414 HydrophobicContact CZ3-CB 3.58Å; W354-I414 HydrophobicContact CZ3-CD1 3.44Å; W354-I414 VanDerWaalsContact CZ3-CD1 3.44Å; W354-I414 HydrophobicContact CZ3-CG1 4.04Å; W354-I414 HydrophobicContact CZ3-CG2 3.53Å
355	S	77.1	Confident	78.4	Confident	68 Å²	68	51 Å²	51	48%	0.476	27%	0.274	S	S	.	.	H	α-helix	trans	-61.1	-43.2	174.1	-177.4	0	0	0	0	111.3	K351 G358 L359	K351-S355 WeakPolarHBondContact O-CB 3.41Å; S355-G358 PolarHBondContact O-N 3.1Å; S355-L359 WeakPolarHBondContact O-CG 3.44Å; S355-L359 PolarHBondContact O-N 3.47Å
356	G	81.3	Confident	77.4	Confident	34 Å²	34	52 Å²	52	35%	0.351	28%	0.28	S	S	.	.	H	α-helix	trans	-60.3	-47.1	173.1	0	0	0	0	0	112.7	Y352 W354 G358 L359 V360	Y352-G356 PolarHBondContact O-N 3.4Å; W354-G356 VanDerWaalsContact C-N 3.32Å; W354-G356 PolarHBondContact O-N 2.86Å; G356-G358 PolarHBondContact O-N 2.95Å; G356-L359 PolarHBondContact O-N 3.25Å; G356-V360 WeakPolarHBondContact O-CG2 3.4Å; G356-V360 PolarHBondContact O-N 3.16Å
357	S	79	Confident	76.7	Confident	17 Å²	17	57.9 Å²	57.9	12%	0.119	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-40.6	176	-175.6	0	0	0	0	112.4	V353 W354 L359 V360 M361	V353-S357 WeakPolarHBondContact O-CB 3.09Å; V353-S357 PolarHBondContact O-N 3.28Å; W354-S357 PolarHBondContact O-N 3.44Å; S357-L359 VanDerWaalsContact C-N 3.34Å; S357-L359 PolarHBondContact O-N 2.72Å; S357-V360 WeakPolarHBondContact O-CB 3.1Å; S357-V360 PolarHBondContact O-N 2.87Å; S357-M361 VanDerWaalsContact O-CG 3.32Å; S357-M361 WeakPolarHBondContact O-CG 3.37Å; S357-M361 PolarHBondContact O-N 3.38Å
358	G	75.8	Confident	75.7	Confident	8 Å²	8	59.7 Å²	59.7	8%	0.082	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-40.2	178.6	0	0	0	0	0	112	W354 S355 G356 V360 M361 V362 L407	W354-G358 PolarHBondContact O-N 2.99Å; S355-G358 PolarHBondContact O-N 3.1Å; G356-G358 PolarHBondContact O-N 2.95Å; G358-V360 VanDerWaalsContact C-N 3.34Å; G358-V360 PolarHBondContact O-N 3.41Å; G358-M361 WeakPolarHBondContact O-CB 3.43Å; G358-M361 PolarHBondContact O-N 2.85Å; G358-V362 WeakPolarHBondContact O-CG2 3.26Å; G358-V362 PolarHBondContact O-N 3.45Å; G358-L407 WeakPolarHBondContact O-CD1 3.31Å
359	L	76.3	Confident	74.4	Confident	82 Å²	82	55.8 Å²	55.8	43%	0.429	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-42	172.9	-74	168.9	0	0	0	111.9	S355 G356 S357 M361 V362 A363 F400	S355-L359 WeakPolarHBondContact O-CG 3.44Å; S355-L359 PolarHBondContact O-N 3.47Å; G356-L359 PolarHBondContact O-N 3.25Å; S357-L359 VanDerWaalsContact C-N 3.34Å; S357-L359 PolarHBondContact O-N 2.72Å; L359-M361 VanDerWaalsContact C-N 3.34Å; L359-V362 PolarHBondContact O-N 3.01Å; L359-A363 WeakPolarHBondContact O-CB 3.46Å; L359-A363 PolarHBondContact O-N 3.01Å; L359-F400 HydrophobicContact CD2-CZ 4.29Å
360	V	77.7	Confident	72.9	Confident	72 Å²	72	60.3 Å²	60.3	44%	0.436	34%	0.343	S	S	.	.	H	α-helix	trans	-62.5	-42.1	174.1	175.7	0	0	0	0	110.8	L261 G356 S357 G358 V362 A363 V364	L261-V360 HydrophobicContact CD2-CB 4.47Å; L261-V360 HydrophobicContact CD2-CG1 3.93Å; G356-V360 WeakPolarHBondContact O-CG2 3.4Å; G356-V360 PolarHBondContact O-N 3.16Å; S357-V360 WeakPolarHBondContact O-CB 3.1Å; S357-V360 PolarHBondContact O-N 2.87Å; G358-V360 VanDerWaalsContact C-N 3.34Å; G358-V360 PolarHBondContact O-N 3.41Å; V360-V362 VanDerWaalsContact C-N 3.31Å; V360-V362 PolarHBondContact O-N 3.3Å; V360-A363 PolarHBondContact O-N 2.89Å; V360-V364 HydrophobicContact CG1-CG2 4.09Å; V360-V364 VanDerWaalsContact O-CG2 3.31Å; V360-V364 WeakPolarHBondContact O-CG2 3.43Å; V360-V364 PolarHBondContact O-N 2.86Å
361	M	73	Confident	71.6	Confident	26 Å²	26	63.4 Å²	63.4	13%	0.128	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-34.7	177.8	-72.1	172.9	62.3	0	0	113.4	P258 L261 A262 S357 G358 L359 P365	P258-M361 HydrophobicContact CB-CB 4.21Å; P258-M361 HydrophobicContact CB-CE 4.29Å; P258-M361 HydrophobicContact CB-CG 4.28Å; P258-M361 WeakPolarHBondContact O-CE 3.48Å; L261-M361 HydrophobicContact CD2-CG 4.03Å; A262-M361 HydrophobicContact CB-CE 3.65Å; A262-M361 HydrophobicContact CB-SD 3.83Å; S357-M361 VanDerWaalsContact O-CG 3.32Å; S357-M361 WeakPolarHBondContact O-CG 3.37Å; S357-M361 PolarHBondContact O-N 3.38Å; G358-M361 WeakPolarHBondContact O-CB 3.43Å; G358-M361 PolarHBondContact O-N 2.85Å; L359-M361 VanDerWaalsContact C-N 3.34Å; M361-P365 WeakPolarHBondContact O-CD 3.45Å
362	V	71.1	Confident	70.1	Confident	14 Å²	14	64.7 Å²	64.7	9%	0.085	38%	0.383	C	S	.	.	H	α-helix	trans	-80.6	-37.8	175.6	179.3	0	0	0	0	111.3	G358 L359 V360 I366 F400 A403 L407	G358-V362 WeakPolarHBondContact O-CG2 3.26Å; G358-V362 PolarHBondContact O-N 3.45Å; L359-V362 PolarHBondContact O-N 3.01Å; V360-V362 VanDerWaalsContact C-N 3.31Å; V360-V362 PolarHBondContact O-N 3.3Å; V362-I366 HydrophobicContact CG1-CD1 3.8Å; V362-I366 WeakPolarHBondContact O-CD1 3.48Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-F400 HydrophobicContact CG1-CD2 3.62Å; V362-F400 HydrophobicContact CG1-CE2 4.07Å; V362-A403 HydrophobicContact CG1-CB 4.05Å; V362-A403 HydrophobicContact CG2-CB 3.87Å; V362-L407 HydrophobicContact CG2-CD1 3.25Å
363	A	72.4	Confident	68.1	Low	34 Å²	34	59.9 Å²	59.9	28%	0.281	38%	0.378	S	S	.	.	H	α-helix	trans	-67	-41.7	-178.2	0	0	0	0	0	112.2	L359 V360 I366 I367	L359-A363 WeakPolarHBondContact O-CB 3.46Å; L359-A363 PolarHBondContact O-N 3.01Å; V360-A363 PolarHBondContact O-N 2.89Å; A363-I366 PolarHBondContact O-N 2.97Å; A363-I367 HydrophobicContact CB-CD1 4.09Å; A363-I367 WeakPolarHBondContact O-CB 3.29Å; A363-I367 WeakPolarHBondContact O-CD1 3.49Å; A363-I367 VanDerWaalsContact O-CG1 3.22Å; A363-I367 WeakPolarHBondContact O-CG1 3.37Å; A363-I367 PolarHBondContact O-N 3.23Å
364	V	71.5	Confident	66.4	Low	63 Å²	63	64.7 Å²	64.7	38%	0.382	40%	0.402	S	S	.	.	H	α-helix	trans	-56.8	-55.7	-175.6	166.6	0	0	0	0	111.8	V360 I366 I367 T368	V360-V364 HydrophobicContact CG1-CG2 4.09Å; V360-V364 VanDerWaalsContact O-CG2 3.31Å; V360-V364 WeakPolarHBondContact O-CG2 3.43Å; V360-V364 PolarHBondContact O-N 2.86Å; V364-I366 VanDerWaalsContact C-N 3.32Å; V364-I366 PolarHBondContact O-N 2.66Å; V364-I367 PolarHBondContact O-N 3.35Å; V364-T368 HydrophobicContact CG1-CG2 4.32Å; V364-T368 WeakPolarHBondContact O-CB 3.37Å; V364-T368 WeakPolarHBondContact O-CG2 3.4Å; V364-T368 PolarHBondContact O-N 2.82Å; V364-T368 PolarHBondContact O-OG1 3.4Å
365	P	66.4	Low	64.5	Low	24 Å²	24	71 Å²	71	16%	0.156	44%	0.438	C	S	.	.	H	α-helix	trans	-60.7	-35	177.3	-25.9	36.1	0	0	0	114.4	A253 P258 M361 A369	A253-P365 HydrophobicContact CB-CB 3.94Å; P258-P365 HydrophobicContact CG-CG 3.77Å; M361-P365 WeakPolarHBondContact O-CD 3.45Å; P365-A369 WeakPolarHBondContact O-CB 3.38Å; P365-A369 PolarHBondContact O-N 3.21Å
366	I	66.1	Low	62.7	Low	73 Å²	73	71 Å²	71	37%	0.374	45%	0.449	S	S	.	.	H	α-helix	trans	-70.2	-35.7	179.6	-65.5	173.4	0	0	0	111	V362 A363 V364 F400	V362-I366 HydrophobicContact CG1-CD1 3.8Å; V362-I366 WeakPolarHBondContact O-CD1 3.48Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; A363-I366 PolarHBondContact O-N 2.97Å; V364-I366 VanDerWaalsContact C-N 3.32Å; V364-I366 PolarHBondContact O-N 2.66Å; I366-F400 HydrophobicContact CD1-CB 4.28Å; I366-F400 HydrophobicContact CD1-CD2 4.04Å
367	I	68.1	Low	61	Low	137 Å²	137	78.3 Å²	78.3	70%	0.703	47%	0.474	S	S	*	.	H	α-helix	trans	-80.2	-36.5	179.6	-65.2	166.2	0	0	0	111.2	A363 V364	A363-I367 HydrophobicContact CB-CD1 4.09Å; A363-I367 WeakPolarHBondContact O-CB 3.29Å; A363-I367 WeakPolarHBondContact O-CD1 3.49Å; A363-I367 VanDerWaalsContact O-CG1 3.22Å; A363-I367 WeakPolarHBondContact O-CG1 3.37Å; A363-I367 PolarHBondContact O-N 3.23Å; V364-I367 PolarHBondContact O-N 3.35Å
368	T	63.9	Low	59.1	Low	88 Å²	88	85.3 Å²	85.3	54%	0.54	51%	0.51	S	S	.	.	H	α-helix	trans	-94.5	-10.6	-175.9	62.5	0	0	0	0	114.6	V364 T370	V364-T368 HydrophobicContact CG1-CG2 4.32Å; V364-T368 WeakPolarHBondContact O-CB 3.37Å; V364-T368 WeakPolarHBondContact O-CG2 3.4Å; V364-T368 PolarHBondContact O-N 2.82Å; V364-T368 PolarHBondContact O-OG1 3.4Å; T368-T370 PolarHBondContact O-N 3.48Å
369	A	59	Low	57.5	Low	40 Å²	40	94.1 Å²	94.1	33%	0.331	55%	0.549	S	S	.	.			trans	-66.7	95.3	173.4	0	0	0	0	0	110.6	P365 G371	P365-A369 WeakPolarHBondContact O-CB 3.38Å; P365-A369 PolarHBondContact O-N 3.21Å; A369-G371 PolarHBondContact O-N 2.97Å
370	T	51.9	Low	56	Low	116 Å²	116	97 Å²	97	71%	0.712	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-78.6	4	173.2	48.8	0	0	0	0	113.4	T368 F372 A373	T368-T370 PolarHBondContact O-N 3.48Å; T370-F372 PolarHBondContact O-N 2.86Å; T370-F372 VanDerWaalsContact O-N 3.1Å; T370-A373 WeakPolarHBondContact O-CB 3.47Å; T370-A373 PolarHBondContact O-N 2.89Å
371	G	50.8	Low	54.3	Low	74 Å²	74	96.1 Å²	96.1	76%	0.763	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-69.6	1.2	174.4	0	0	0	0	0	115.4	A369	A369-G371 PolarHBondContact O-N 2.97Å
372	F	45.4	Very low	53.1	Low	131 Å²	131	102.8 Å²	102.8	58%	0.575	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-119.1	22	166.2	-76.8	-84.7	0	0	0	111.3	T370 M392	T370-F372 PolarHBondContact O-N 2.86Å; T370-F372 VanDerWaalsContact O-N 3.1Å; F372-M392 HydrophobicContact CD1-SD 3.61Å; F372-M392 HydrophobicContact CE1-CG 4.24Å; F372-M392 HydrophobicContact CE1-SD 3.67Å
373	A	41.4	Very low	51.9	Low	65 Å²	65	107.8 Å²	107.8	54%	0.537	64%	0.635	S	S	.	*	S	Bend	trans	-78.2	127	165.6	0	0	0	0	0	108.6	T370 N375	T370-A373 WeakPolarHBondContact O-CB 3.47Å; T370-A373 PolarHBondContact O-N 2.89Å; A373-N375 PolarHBondContact O-N 3.17Å
374	D	49.5	Very low	50.8	Low	159 Å²	159	107.9 Å²	107.9	85%	0.85	64%	0.639	S	S	*	*			trans	-18.2	116.2	166.6	-83.3	-36.7	0	0	0	114.4
375	N	36.7	Very low	49.9	Very low	167 Å²	167	110.2 Å²	110.2	89%	0.893	65%	0.649	S	S	*	*			trans	-123.4	101.9	150.7	-80.7	-20.6	0	0	0	107.7	A373	A373-N375 PolarHBondContact O-N 3.17Å
376	G	39.3	Very low	49.4	Very low	68 Å²	68	112.2 Å²	112.2	70%	0.701	66%	0.663	S	S	*	*			trans	76.1	99.7	144.6	0	0	0	0	0	117.9
377	E	45.6	Very low	48.9	Very low	186 Å²	186	113.4 Å²	113.4	87%	0.869	67%	0.671	S	S	*	*			trans	34.9	109	130.4	-63.5	176.9	162.7	0	0	118.5
378	D	38.9	Very low	48.5	Very low	164 Å²	164	115.5 Å²	115.5	88%	0.877	67%	0.67	S	S	*	*				-167.4	131	120.6	-97.2	-25.4	0	0	0	112.8	V380	D378-V380 PolarHBondContact O-N 2.94Å
379	H	43.4	Very low	48.4	Very low	194 Å²	194	113.5 Å²	113.5	90%	0.898	66%	0.662	S	S	*	*			trans	-75	66.2	-172.7	-92.1	-94.1	0	0	0	114.1
380	V	43.6	Very low	48.6	Very low	142 Å²	142	115.5 Å²	115.5	86%	0.861	67%	0.665	S	S	*	*			trans	-155.6	103.2	160.1	-173.4	0	0	0	0	111.2	D378	D378-V380 PolarHBondContact O-N 2.94Å
381	A	42.3	Very low	49.2	Very low	54 Å²	54	115 Å²	115	45%	0.446	66%	0.655	S	S	.	*			trans	163.9	72.9	148.4	0	0	0	0	0	112.6	V383 G384 L385	A381-V383 PolarHBondContact O-N 2.9Å; A381-V383 VanDerWaalsContact O-N 3.08Å; A381-G384 PolarHBondContact O-N 3.5Å; A381-G384 VanDerWaalsContact O-N 3.14Å; A381-L385 WeakPolarHBondContact O-CG 3.42Å; A381-L385 PolarHBondContact O-N 3.49Å
382	L	47.5	Very low	49.9	Very low	165 Å²	165	114.3 Å²	114.3	86%	0.864	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-15	177.5	-138.2	98.5	0	0	0	113.9
383	V	45.9	Very low	51.2	Low	120 Å²	120	112 Å²	112	73%	0.727	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-20.7	177.6	-177.2	0	0	0	0	112.5	A381 S386	A381-V383 PolarHBondContact O-N 2.9Å; A381-V383 VanDerWaalsContact O-N 3.08Å; V383-S386 PolarHBondContact O-OG 3.5Å
384	G	49.8	Very low	52.7	Low	36 Å²	36	108.9 Å²	108.9	37%	0.371	60%	0.604	S	S	.	*	H	α-helix	trans	-85.4	-28.4	176.3	0	0	0	0	0	113.5	A381 N387 R388	A381-G384 PolarHBondContact O-N 3.5Å; A381-G384 VanDerWaalsContact O-N 3.14Å; G384-N387 PolarHBondContact O-N 3.37Å; G384-R388 VanDerWaalsContact O-CB 3.22Å; G384-R388 WeakPolarHBondContact O-CB 3.45Å; G384-R388 PolarHBondContact O-N 3.15Å
385	L	52.4	Low	53.8	Low	112 Å²	112	105.8 Å²	105.8	59%	0.586	58%	0.584	S	S	*	*	H	α-helix	trans	-67.1	-37.9	179.3	-75.5	162.5	0	0	0	113	A381 A389	A381-L385 WeakPolarHBondContact O-CG 3.42Å; A381-L385 PolarHBondContact O-N 3.49Å; L385-A389 WeakPolarHBondContact O-CB 3.35Å; L385-A389 PolarHBondContact O-N 3.27Å
386	S	55.3	Low	55.5	Low	65 Å²	65	103.7 Å²	103.7	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-67.5	-44.1	176.2	62.1	0	0	0	0	111.6	V383 Q390	V383-S386 PolarHBondContact O-OG 3.5Å; S386-Q390 WeakPolarHBondContact O-CB 3.23Å; S386-Q390 PolarHBondContact O-N 3.26Å
387	N	56.7	Low	57.3	Low	99 Å²	99	102.4 Å²	102.4	53%	0.529	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-38.2	175.7	-87.8	-15.2	0	0	0	112.5	G384 M391	G384-N387 PolarHBondContact O-N 3.37Å; N387-M391 WeakPolarHBondContact O-CB 3.41Å; N387-M391 WeakPolarHBondContact O-CG 3.33Å; N387-M391 PolarHBondContact O-N 3.4Å
388	R	59.2	Low	58.8	Low	180 Å²	180	95.1 Å²	95.1	68%	0.679	51%	0.508	S	S	*	.	H	α-helix	trans	-71.6	-40.5	177	-166.4	171.3	-177	158.8	-1.6	111.8	G384 M391 M392	G384-R388 VanDerWaalsContact O-CB 3.22Å; G384-R388 WeakPolarHBondContact O-CB 3.45Å; G384-R388 PolarHBondContact O-N 3.15Å; R388-M391 PolarHBondContact O-N 3.41Å; R388-M392 WeakPolarHBondContact O-CG 3.5Å; R388-M392 PolarHBondContact O-N 3.46Å
389	A	62	Low	60.4	Low	46 Å²	46	88 Å²	88	38%	0.38	47%	0.473	S	S	.	.	H	α-helix	trans	-64.6	-43.3	172.8	0	0	0	0	0	111.6	L385 M392 V393	L385-A389 WeakPolarHBondContact O-CB 3.35Å; L385-A389 PolarHBondContact O-N 3.27Å; A389-M392 PolarHBondContact O-N 3.31Å; A389-V393 VanDerWaalsContact O-CG2 3.29Å; A389-V393 WeakPolarHBondContact O-CG2 3.46Å; A389-V393 PolarHBondContact O-N 3.16Å
390	Q	63.8	Low	61.9	Low	83 Å²	83	82.4 Å²	82.4	39%	0.388	45%	0.446	S	S	.	.	H	α-helix	trans	-68.7	-35.4	177.8	-166.4	164.3	-35	0	0	112.2	S386 S394	S386-Q390 WeakPolarHBondContact O-CB 3.23Å; S386-Q390 PolarHBondContact O-N 3.26Å; Q390-S394 VanDerWaalsContact O-CB 3.23Å; Q390-S394 WeakPolarHBondContact O-CB 3.1Å; Q390-S394 PolarHBondContact O-N 3.06Å
391	M	63.3	Low	63.6	Low	104 Å²	104	76.1 Å²	76.1	51%	0.512	41%	0.408	S	S	.	.	H	α-helix	trans	-64.7	-43.1	169.8	-85.5	-168.7	-76.3	0	0	112.2	N387 R388 V393 S394 E395	N387-M391 WeakPolarHBondContact O-CB 3.41Å; N387-M391 WeakPolarHBondContact O-CG 3.33Å; N387-M391 PolarHBondContact O-N 3.4Å; R388-M391 PolarHBondContact O-N 3.41Å; M391-V393 PolarHBondContact O-N 2.93Å; M391-S394 WeakPolarHBondContact O-CB 3.28Å; M391-S394 PolarHBondContact O-N 3.45Å; M391-E395 WeakPolarHBondContact O-CG 3.38Å; M391-E395 PolarHBondContact O-N 3.41Å
392	M	66.4	Low	65.4	Low	61 Å²	61	74.8 Å²	74.8	30%	0.3	39%	0.394	S	S	.	.	H	α-helix	trans	-63.9	-41.6	176.4	-76.4	-165.3	-69.9	0	0	112.6	F372 R388 A389 S394 R396	F372-M392 HydrophobicContact CD1-SD 3.61Å; F372-M392 HydrophobicContact CE1-CG 4.24Å; F372-M392 HydrophobicContact CE1-SD 3.67Å; R388-M392 WeakPolarHBondContact O-CG 3.5Å; R388-M392 PolarHBondContact O-N 3.46Å; A389-M392 PolarHBondContact O-N 3.31Å; M392-S394 VanDerWaalsContact C-N 3.33Å; M392-R396 WeakPolarHBondContact O-CB 3.39Å; M392-R396 VanDerWaalsContact O-CG 3.26Å; M392-R396 WeakPolarHBondContact O-CG 3.26Å; M392-R396 PolarHBondContact O-N 3.18Å
393	V	71.6	Confident	66.8	Low	81 Å²	81	67.5 Å²	67.5	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-64.1	-41.4	175.4	173.3	0	0	0	0	110.4	A389 M391 T397	A389-V393 VanDerWaalsContact O-CG2 3.29Å; A389-V393 WeakPolarHBondContact O-CG2 3.46Å; A389-V393 PolarHBondContact O-N 3.16Å; M391-V393 PolarHBondContact O-N 2.93Å; V393-T397 WeakPolarHBondContact O-CB 3.35Å; V393-T397 PolarHBondContact O-N 3.01Å; V393-T397 PolarHBondContact O-OG1 3.19Å
394	S	72.7	Confident	68.3	Low	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.3	-47.4	176.9	-177.6	0	0	0	0	112.6	K135 E139 Q390 M391 M392 T397 E398	K135-S394 WeakPolarHBondContact CG-OG 3.32Å; E139-S394 WeakPolarHBondContact CG-OG 3.18Å; E139-S394 PolarHBondContact OE1-OG 3.38Å; Q390-S394 VanDerWaalsContact O-CB 3.23Å; Q390-S394 WeakPolarHBondContact O-CB 3.1Å; Q390-S394 PolarHBondContact O-N 3.06Å; M391-S394 WeakPolarHBondContact O-CB 3.28Å; M391-S394 PolarHBondContact O-N 3.45Å; M392-S394 VanDerWaalsContact C-N 3.33Å; S394-T397 PolarHBondContact O-N 3.43Å; S394-E398 PolarHBondContact O-N 3.44Å
395	E	72.8	Confident	69.7	Low	95 Å²	95	67.8 Å²	67.8	44%	0.444	34%	0.337	S	S	.	.	H	α-helix	trans	-67.5	-39.6	178.8	-73.2	-178	172.8	0	0	113.2	M391 T397 E398 A399	M391-E395 WeakPolarHBondContact O-CG 3.38Å; M391-E395 PolarHBondContact O-N 3.41Å; E395-T397 VanDerWaalsContact C-N 3.31Å; E395-E398 PolarHBondContact O-N 3.28Å; E395-A399 WeakPolarHBondContact O-CB 3.34Å; E395-A399 PolarHBondContact O-N 2.98Å
396	R	72.1	Confident	71.1	Confident	123 Å²	123	63.1 Å²	63.1	46%	0.464	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-39.6	172.2	-70.7	174.8	-175	-170.9	1.8	111.2	M392 F400	M392-R396 WeakPolarHBondContact O-CB 3.39Å; M392-R396 VanDerWaalsContact O-CG 3.26Å; M392-R396 WeakPolarHBondContact O-CG 3.26Å; M392-R396 PolarHBondContact O-N 3.18Å; R396-F400 WeakPolarHBondContact O-CB 3.22Å; R396-F400 PolarHBondContact O-N 3.38Å
397	T	78.9	Confident	72.1	Confident	41 Å²	41	62 Å²	62	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-69.9	-39.7	178.5	-51.7	0	0	0	0	112.2	V134 V138 V393 S394 E395 T401	V134-T397 HydrophobicContact CG1-CG2 3.89Å; V138-T397 HydrophobicContact CG2-CG2 4.06Å; V393-T397 WeakPolarHBondContact O-CB 3.35Å; V393-T397 PolarHBondContact O-N 3.01Å; V393-T397 PolarHBondContact O-OG1 3.19Å; S394-T397 PolarHBondContact O-N 3.43Å; E395-T397 VanDerWaalsContact C-N 3.31Å; T397-T401 VanDerWaalsContact O-CB 3.26Å; T397-T401 WeakPolarHBondContact O-CB 3.37Å; T397-T401 PolarHBondContact O-N 2.92Å; T397-T401 PolarHBondContact O-OG1 3.5Å
398	E	77.1	Confident	73.1	Confident	32 Å²	32	59.8 Å²	59.8	15%	0.15	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-54.3	172.4	179.9	-178.9	-167.4	0	0	110.5	K135 S394 E395 F400 T401 T402	K135-E398 HydrophobicContact CB-CB 4.15Å; K135-E398 HydrophobicContact CB-CG 4.43Å; K135-E398 WeakPolarHBondContact CD-OE2 3.45Å; K135-E398 WeakPolarHBondContact CE-OE2 3.37Å; K135-E398 HydrophobicContact CG-CB 4.29Å; K135-E398 IonicContact NZ-OE2 2.76Å; K135-E398 PolarHBondContact NZ-OE2 3.5Å; S394-E398 PolarHBondContact O-N 3.44Å; E395-E398 PolarHBondContact O-N 3.28Å; E398-F400 VanDerWaalsContact C-N 3.34Å; E398-F400 PolarHBondContact O-N 3.46Å; E398-T401 PolarHBondContact O-N 3.39Å; E398-T402 WeakPolarHBondContact O-CB 3.38Å; E398-T402 PolarHBondContact O-N 3.5Å; E398-T402 PolarHBondContact O-OG1 3.33Å; E398-T402 VanDerWaalsContact O-OG1 3.1Å
399	A	70.9	Confident	74	Confident	16 Å²	16	53.2 Å²	53.2	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-44.4	-179.5	0	0	0	0	0	112.3	E395 A403	E395-A399 WeakPolarHBondContact O-CB 3.34Å; E395-A399 PolarHBondContact O-N 2.98Å; A399-A403 WeakPolarHBondContact O-CB 3.12Å; A399-A403 PolarHBondContact O-N 2.81Å
400	F	76.7	Confident	74.8	Confident	75 Å²	75	51.4 Å²	51.4	33%	0.329	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-46.4	176.8	177.1	-97.8	0	0	0	111.8	L359 V362 I366 R396 E398 A403 R404	L359-F400 HydrophobicContact CD2-CZ 4.29Å; V362-F400 HydrophobicContact CG1-CD2 3.62Å; V362-F400 HydrophobicContact CG1-CE2 4.07Å; I366-F400 HydrophobicContact CD1-CB 4.28Å; I366-F400 HydrophobicContact CD1-CD2 4.04Å; R396-F400 WeakPolarHBondContact O-CB 3.22Å; R396-F400 PolarHBondContact O-N 3.38Å; E398-F400 VanDerWaalsContact C-N 3.34Å; E398-F400 PolarHBondContact O-N 3.46Å; F400-A403 PolarHBondContact O-N 2.93Å; F400-R404 VanDerWaalsContact O-CB 3.26Å; F400-R404 WeakPolarHBondContact O-CB 3.25Å; F400-R404 PolarHBondContact O-N 3.36Å
401	T	79.1	Confident	75.5	Confident	11 Å²	11	48.6 Å²	48.6	7%	0.067	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-44.4	-178.3	-56.7	0	0	0	0	111.3	V134 T397 E398 R404 N405	V134-T401 HydrophobicContact CB-CG2 4.41Å; V134-T401 HydrophobicContact CG2-CG2 4.08Å; T397-T401 VanDerWaalsContact O-CB 3.26Å; T397-T401 WeakPolarHBondContact O-CB 3.37Å; T397-T401 PolarHBondContact O-N 2.92Å; T397-T401 PolarHBondContact O-OG1 3.5Å; E398-T401 PolarHBondContact O-N 3.39Å; T401-R404 PolarHBondContact O-N 2.94Å; T401-N405 WeakPolarHBondContact O-CB 3.29Å; T401-N405 VanDerWaalsContact O-CG 3.3Å; T401-N405 PolarHBondContact O-N 3.38Å; T401-N405 PolarHBondContact O-OD1 2.96Å
402	T	79.3	Confident	76.3	Confident	26 Å²	26	47.7 Å²	47.7	16%	0.16	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-45.4	176.4	-58.6	0	0	0	0	111.3	E398 R404 N405 L406	E398-T402 WeakPolarHBondContact O-CB 3.38Å; E398-T402 PolarHBondContact O-N 3.5Å; E398-T402 PolarHBondContact O-OG1 3.33Å; E398-T402 VanDerWaalsContact O-OG1 3.1Å; T402-R404 PolarHBondContact O-N 3.43Å; T402-N405 PolarHBondContact O-N 3.48Å; T402-L406 HydrophobicContact CG2-CD1 3.95Å; T402-L406 HydrophobicContact CG2-CG 4.37Å; T402-L406 WeakPolarHBondContact O-CB 3.06Å; T402-L406 VanDerWaalsContact O-CG 3.27Å; T402-L406 WeakPolarHBondContact O-CG 3.24Å; T402-L406 PolarHBondContact O-N 2.87Å
403	A	75.9	Confident	77.1	Confident	11 Å²	11	44.9 Å²	44.9	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-41.9	177.1	0	0	0	0	0	112	L244 V362 A399 F400 L406 L407	L244-A403 HydrophobicContact CD1-CB 4.11Å; V362-A403 HydrophobicContact CG1-CB 4.05Å; V362-A403 HydrophobicContact CG2-CB 3.87Å; A399-A403 WeakPolarHBondContact O-CB 3.12Å; A399-A403 PolarHBondContact O-N 2.81Å; F400-A403 PolarHBondContact O-N 2.93Å; A403-L406 PolarHBondContact O-N 3.15Å; A403-L407 WeakPolarHBondContact O-CB 3.47Å; A403-L407 VanDerWaalsContact O-CG 3.3Å; A403-L407 WeakPolarHBondContact O-CG 3.25Å; A403-L407 PolarHBondContact O-N 3.49Å
404	R	77.4	Confident	77.4	Confident	123 Å²	123	43.1 Å²	43.1	46%	0.464	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-46.1	175.4	-175.1	-171.1	68.7	169.1	-0.5	111.9	F400 T401 T402 L407 A408	F400-R404 VanDerWaalsContact O-CB 3.26Å; F400-R404 WeakPolarHBondContact O-CB 3.25Å; F400-R404 PolarHBondContact O-N 3.36Å; T401-R404 PolarHBondContact O-N 2.94Å; T402-R404 PolarHBondContact O-N 3.43Å; R404-L407 PolarHBondContact O-N 2.65Å; R404-A408 WeakPolarHBondContact O-CB 3.46Å; R404-A408 PolarHBondContact O-N 3.27Å
405	N	81.2	Confident	77.7	Confident	39 Å²	39	44.8 Å²	44.8	21%	0.209	24%	0.235	C	C	.	.	H	α-helix	trans	-67.9	-38.8	-179.9	-71.2	2.8	0	0	0	111.8	T401 T402 A408 S409	T401-N405 WeakPolarHBondContact O-CB 3.29Å; T401-N405 VanDerWaalsContact O-CG 3.3Å; T401-N405 PolarHBondContact O-N 3.38Å; T401-N405 PolarHBondContact O-OD1 2.96Å; T402-N405 PolarHBondContact O-N 3.48Å; N405-A408 PolarHBondContact O-N 3.38Å; N405-S409 WeakPolarHBondContact O-CB 3.33Å; N405-S409 PolarHBondContact O-N 2.79Å
406	L	80.4	Confident	78.1	Confident	14 Å²	14	45.4 Å²	45.4	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-40.6	174.3	-70.6	172.7	0	0	0	111.9	A127 T240 T402 A403 S409 G410	A127-L406 HydrophobicContact CB-CD2 4.08Å; T240-L406 HydrophobicContact CG2-CD2 4.21Å; T402-L406 HydrophobicContact CG2-CD1 3.95Å; T402-L406 HydrophobicContact CG2-CG 4.37Å; T402-L406 WeakPolarHBondContact O-CB 3.06Å; T402-L406 VanDerWaalsContact O-CG 3.27Å; T402-L406 WeakPolarHBondContact O-CG 3.24Å; T402-L406 PolarHBondContact O-N 2.87Å; A403-L406 PolarHBondContact O-N 3.15Å; L406-S409 PolarHBondContact O-N 3.1Å; L406-G410 PolarHBondContact O-N 2.86Å
407	L	77	Confident	78.7	Confident	42 Å²	42	42.1 Å²	42.1	22%	0.22	22%	0.224	C	C	.	.	H	α-helix	trans	-66.6	-40.2	175.2	-77.1	173	0	0	0	112.6	L244 G358 V362 A403 R404 G410 A411	L244-L407 HydrophobicContact CD2-CD2 3.86Å; L244-L407 HydrophobicContact CD2-CG 4.44Å; G358-L407 WeakPolarHBondContact O-CD1 3.31Å; V362-L407 HydrophobicContact CG2-CD1 3.25Å; A403-L407 WeakPolarHBondContact O-CB 3.47Å; A403-L407 VanDerWaalsContact O-CG 3.3Å; A403-L407 WeakPolarHBondContact O-CG 3.25Å; A403-L407 PolarHBondContact O-N 3.49Å; R404-L407 PolarHBondContact O-N 2.65Å; L407-G410 PolarHBondContact O-N 2.81Å; L407-A411 WeakPolarHBondContact O-CB 3.3Å; L407-A411 PolarHBondContact O-N 3.19Å
408	A	77.8	Confident	78.4	Confident	53 Å²	53	42.7 Å²	42.7	44%	0.438	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-45.9	173.5	0	0	0	0	0	111	R404 N405 G410 A411 D412	R404-A408 WeakPolarHBondContact O-CB 3.46Å; R404-A408 PolarHBondContact O-N 3.27Å; N405-A408 PolarHBondContact O-N 3.38Å; A408-G410 VanDerWaalsContact C-N 3.35Å; A408-G410 PolarHBondContact O-N 2.93Å; A408-A411 PolarHBondContact O-N 3.12Å; A408-D412 PolarHBondContact O-N 3.36Å
409	S	78.6	Confident	78.3	Confident	42 Å²	42	43.5 Å²	43.5	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-64	-36.9	175.7	-173.5	0	0	0	0	112.9	N405 L406 A413	N405-S409 WeakPolarHBondContact O-CB 3.33Å; N405-S409 PolarHBondContact O-N 2.79Å; L406-S409 PolarHBondContact O-N 3.1Å; S409-A413 WeakPolarHBondContact O-CB 3.47Å; S409-A413 PolarHBondContact O-N 2.95Å
410	G	78.6	Confident	78.8	Confident	8 Å²	8	42.8 Å²	42.8	8%	0.082	23%	0.227	C	C	.	.	H	α-helix	trans	-70	-38.7	176.2	0	0	0	0	0	112.5	L406 L407 A408 A413 I414	L406-G410 PolarHBondContact O-N 2.86Å; L407-G410 PolarHBondContact O-N 2.81Å; A408-G410 VanDerWaalsContact C-N 3.35Å; A408-G410 PolarHBondContact O-N 2.93Å; G410-A413 PolarHBondContact O-N 3.22Å; G410-I414 WeakPolarHBondContact O-CG1 3.46Å; G410-I414 PolarHBondContact O-N 3.11Å
411	A	77.6	Confident	78.8	Confident	23 Å²	23	45.1 Å²	45.1	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-45.7	173.7	0	0	0	0	0	111.3	W354 L407 A408 A413 I414 E415	W354-A411 HydrophobicContact CE3-CB 4.41Å; L407-A411 WeakPolarHBondContact O-CB 3.3Å; L407-A411 PolarHBondContact O-N 3.19Å; A408-A411 PolarHBondContact O-N 3.12Å; A411-A413 VanDerWaalsContact C-N 3.28Å; A411-A413 PolarHBondContact O-N 2.88Å; A411-I414 PolarHBondContact O-N 3.5Å; A411-E415 WeakPolarHBondContact O-CB 3.26Å; A411-E415 PolarHBondContact O-N 3.37Å
412	D	79.8	Confident	78.5	Confident	85 Å²	85	47.7 Å²	47.7	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-59.2	-39.5	174.1	-77.1	-6.7	0	0	0	111.8	A408 R416	A408-D412 PolarHBondContact O-N 3.36Å; D412-R416 WeakPolarHBondContact O-CG 3.5Å; D412-R416 PolarHBondContact O-N 2.93Å; D412-R416 VanDerWaalsContact O-N 3.08Å
413	A	83.6	Confident	78.6	Confident	3 Å²	3	48.7 Å²	48.7	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-45.2	176.3	0	0	0	0	0	111.3	P233 D236 V237 S409 G410 A411 R416 I417	P233-A413 HydrophobicContact CB-CB 3.97Å; P233-A413 WeakPolarHBondContact CB-O 3.49Å; D236-A413 HydrophobicContact CB-CB 3.86Å; V237-A413 HydrophobicContact CG2-CB 3.76Å; S409-A413 WeakPolarHBondContact O-CB 3.47Å; S409-A413 PolarHBondContact O-N 2.95Å; G410-A413 PolarHBondContact O-N 3.22Å; A411-A413 VanDerWaalsContact C-N 3.28Å; A411-A413 PolarHBondContact O-N 2.88Å; A413-R416 WeakPolarHBondContact O-CB 3.43Å; A413-R416 PolarHBondContact O-N 2.98Å; A413-I417 WeakPolarHBondContact O-CG1 3.49Å; A413-I417 PolarHBondContact O-N 3.03Å
414	I	78.6	Confident	79	Confident	44 Å²	44	49.3 Å²	49.3	23%	0.226	25%	0.251	C	S	.	.	H	α-helix	trans	-69.8	-35.6	179.1	-62.4	167.2	0	0	0	111.7	V237 W354 G410 A411 R416 I417 M418	V237-I414 HydrophobicContact CG1-CD1 4.19Å; V237-I414 HydrophobicContact CG1-CG1 4.35Å; V237-I414 HydrophobicContact CG2-CD1 3.96Å; V237-I414 HydrophobicContact CG2-CG1 3.37Å; W354-I414 HydrophobicContact CH2-CB 3.89Å; W354-I414 HydrophobicContact CH2-CD1 3.85Å; W354-I414 HydrophobicContact CH2-CG1 4.38Å; W354-I414 HydrophobicContact CH2-CG2 3.26Å; W354-I414 HydrophobicContact CZ2-CG2 4.28Å; W354-I414 HydrophobicContact CZ3-CB 3.58Å; W354-I414 HydrophobicContact CZ3-CD1 3.44Å; W354-I414 VanDerWaalsContact CZ3-CD1 3.44Å; W354-I414 HydrophobicContact CZ3-CG1 4.04Å; W354-I414 HydrophobicContact CZ3-CG2 3.53Å; G410-I414 WeakPolarHBondContact O-CG1 3.46Å; G410-I414 PolarHBondContact O-N 3.11Å; A411-I414 PolarHBondContact O-N 3.5Å; I414-R416 VanDerWaalsContact C-N 3.29Å; I414-R416 PolarHBondContact O-N 3.42Å; I414-I417 PolarHBondContact O-N 3.46Å; I414-M418 PolarHBondContact O-N 3.02Å
415	E	77.6	Confident	79.1	Confident	35 Å²	35	44.4 Å²	44.4	16%	0.164	23%	0.234	C	C	.	.	H	α-helix	trans	-54.7	-46.7	170	174.2	172.2	175.2	0	0	110.6	Q347 M350 A411 I417 M418 S419	Q347-E415 PolarHBondContact NE2-OE1 3.06Å; M350-E415 HydrophobicContact SD-CB 3.72Å; M350-E415 HydrophobicContact SD-CG 3.65Å; A411-E415 WeakPolarHBondContact O-CB 3.26Å; A411-E415 PolarHBondContact O-N 3.37Å; E415-I417 PolarHBondContact O-N 3.03Å; E415-M418 PolarHBondContact O-N 2.86Å; E415-S419 WeakPolarHBondContact O-CB 3.3Å; E415-S419 PolarHBondContact O-N 3.39Å; E415-S419 PolarHBondContact O-OG 3.28Å
416	R	82.8	Confident	79	Confident	108 Å²	108	45 Å²	45	41%	0.408	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-40.4	176.3	-70	175.1	-166.4	-151.3	1.8	113.4	P233 D412 A413 I414 M418 S419 S420	P233-R416 HydrophobicContact CB-CB 4.38Å; P233-R416 HydrophobicContact CG-CB 3.86Å; D412-R416 WeakPolarHBondContact O-CG 3.5Å; D412-R416 PolarHBondContact O-N 2.93Å; D412-R416 VanDerWaalsContact O-N 3.08Å; A413-R416 WeakPolarHBondContact O-CB 3.43Å; A413-R416 PolarHBondContact O-N 2.98Å; I414-R416 VanDerWaalsContact C-N 3.29Å; I414-R416 PolarHBondContact O-N 3.42Å; R416-M418 VanDerWaalsContact C-N 3.34Å; R416-S419 WeakPolarHBondContact CA-OG 3.43Å; R416-S419 PolarHBondContact O-N 3.39Å; R416-S419 PolarHBondContact O-OG 3.46Å; R416-S420 WeakPolarHBondContact O-CB 3.28Å; R416-S420 PolarHBondContact O-N 2.91Å; R416-S420 PolarHBondContact O-OG 3.12Å
417	I	83.3	Confident	79.3	Confident	53 Å²	53	44.4 Å²	44.4	27%	0.272	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-45.4	176.6	-66.8	170.3	0	0	0	109.9	P233 I234 V237 A413 I414 E415 S420	P233-I417 HydrophobicContact CB-CD1 3.99Å; P233-I417 HydrophobicContact CB-CG1 3.58Å; I234-I417 HydrophobicContact CG1-CD1 3.98Å; I234-I417 HydrophobicContact CG1-CG1 4.45Å; V237-I417 HydrophobicContact CG2-CD1 4.13Å; A413-I417 WeakPolarHBondContact O-CG1 3.49Å; A413-I417 PolarHBondContact O-N 3.03Å; I414-I417 PolarHBondContact O-N 3.46Å; E415-I417 PolarHBondContact O-N 3.03Å; I417-S420 WeakPolarHBondContact O-CB 3.28Å; I417-S420 PolarHBondContact O-N 3.38Å
418	M	74.1	Confident	79.7	Confident	53 Å²	53	42.5 Å²	42.5	26%	0.261	22%	0.223	S	C	.	.	H	α-helix	trans	-67	-42.6	179.4	-167.9	74.9	76.4	0	0	111.4	L273 M350 I414 E415 R416 S420 Y421	L273-M418 HydrophobicContact CD1-CE 3.78Å; L273-M418 HydrophobicContact CD1-CG 4.3Å; L273-M418 HydrophobicContact CD1-SD 4.32Å; M350-M418 HydrophobicContact CE-CB 3.29Å; M350-M418 HydrophobicContact CE-CE 4.35Å; M350-M418 HydrophobicContact CE-CG 3.31Å; I414-M418 PolarHBondContact O-N 3.02Å; E415-M418 PolarHBondContact O-N 2.86Å; R416-M418 VanDerWaalsContact C-N 3.34Å; M418-S420 PolarHBondContact O-N 3.36Å; M418-Y421 VanDerWaalsContact O-CB 3.24Å; M418-Y421 WeakPolarHBondContact O-CB 3.47Å; M418-Y421 PolarHBondContact O-N 3.44Å; M418-Y421 VanDerWaalsContact O-N 3.09Å
419	S	73.4	Confident	79.9	Confident	50 Å²	50	40.6 Å²	40.6	35%	0.35	21%	0.209	S	C	.	.	H	α-helix	trans	-64	-29.3	176.5	68	0	0	0	0	112.3	E415 R416 Y421 K422	E415-S419 WeakPolarHBondContact O-CB 3.3Å; E415-S419 PolarHBondContact O-N 3.39Å; E415-S419 PolarHBondContact O-OG 3.28Å; R416-S419 WeakPolarHBondContact CA-OG 3.43Å; R416-S419 PolarHBondContact O-N 3.39Å; R416-S419 PolarHBondContact O-OG 3.46Å; S419-Y421 PolarHBondContact O-N 2.89Å; S419-K422 PolarHBondContact O-N 3.47Å
420	S	82.7	Confident	80.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-19.8	176	-59.9	0	0	0	0	112.7	N229 R416 I417 M418 K422 E423 V424	N229-S420 PolarHBondContact ND2-OG 2.85Å; R416-S420 WeakPolarHBondContact O-CB 3.28Å; R416-S420 PolarHBondContact O-N 2.91Å; R416-S420 PolarHBondContact O-OG 3.12Å; I417-S420 WeakPolarHBondContact O-CB 3.28Å; I417-S420 PolarHBondContact O-N 3.38Å; M418-S420 PolarHBondContact O-N 3.36Å; S420-K422 PolarHBondContact O-N 3.45Å; S420-E423 WeakPolarHBondContact O-CA 3.32Å; S420-E423 WeakPolarHBondContact O-CB 3.47Å; S420-E423 PolarHBondContact O-N 3.5Å; S420-V424 WeakPolarHBondContact O-CG2 3.33Å; S420-V424 PolarHBondContact O-N 3.4Å
421	Y	76.1	Confident	80.8	Confident	125 Å²	125	39.8 Å²	39.8	49%	0.49	20%	0.197	S	C	.	.	H	α-helix	trans	-56.3	-36.6	174.9	176.1	-100.4	0	0	0	112.5	M418 S419 V424 T425	M418-Y421 VanDerWaalsContact O-CB 3.24Å; M418-Y421 WeakPolarHBondContact O-CB 3.47Å; M418-Y421 PolarHBondContact O-N 3.44Å; M418-Y421 VanDerWaalsContact O-N 3.09Å; S419-Y421 PolarHBondContact O-N 2.89Å; Y421-V424 PolarHBondContact O-N 3.39Å; Y421-T425 PolarHBondContact O-N 2.84Å; Y421-T425 PolarHBondContact O-OG1 2.97Å
422	K	72.4	Confident	81.2	Confident	65 Å²	65	39.7 Å²	39.7	28%	0.283	20%	0.196	S	C	.	.	H	α-helix	trans	-63	-46.9	174.4	-176.7	-174.3	163.2	-168.6	0	110.6	S419 S420 V424 T425 E426	S419-K422 PolarHBondContact O-N 3.47Å; S420-K422 PolarHBondContact O-N 3.45Å; K422-V424 VanDerWaalsContact C-N 3.31Å; K422-V424 PolarHBondContact O-N 2.67Å; K422-T425 WeakPolarHBondContact O-CB 3.17Å; K422-T425 PolarHBondContact O-N 3.23Å; K422-T425 VanDerWaalsContact O-N 3.11Å; K422-E426 WeakPolarHBondContact CE-OE1 3.46Å; K422-E426 IonicContact NZ-OE1 2.77Å; K422-E426 PolarHBondContact NZ-OE1 3.13Å; K422-E426 WeakPolarHBondContact O-CG 3.28Å; K422-E426 PolarHBondContact O-N 3.35Å
423	E	81.8	Confident	81.5	Confident	46 Å²	46	39.6 Å²	39.6	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-39.5	178.3	-60.1	175.7	-167.3	0	0	111.4	H225 L226 N229 S420 T425 E426 L427	H225-E423 IonicContact CE1-OE1 3.91Å; H225-E423 PolarHBondContact CE1-OE1 3.25Å; H225-E423 IonicContact CE1-OE2 3.58Å; H225-E423 PolarHBondContact CE1-OE2 3.49Å; H225-E423 VanDerWaalsContact CE1-OE2 3.23Å; H225-E423 IonicContact ND1-OE1 3.76Å; H225-E423 IonicContact ND1-OE2 3.85Å; H225-E423 PolarHBondContact ND1-OE2 2.9Å; L226-E423 HydrophobicContact CD1-CB 3.99Å; N229-E423 VanDerWaalsContact ND2-CD 3.3Å; N229-E423 PolarHBondContact ND2-OE1 2.9Å; N229-E423 PolarHBondContact ND2-OE2 3.25Å; S420-E423 WeakPolarHBondContact O-CA 3.32Å; S420-E423 WeakPolarHBondContact O-CB 3.47Å; S420-E423 PolarHBondContact O-N 3.5Å; E423-T425 VanDerWaalsContact C-N 3.34Å; E423-T425 PolarHBondContact O-N 2.94Å; E423-E426 PolarHBondContact O-N 3.46Å; E423-L427 VanDerWaalsContact O-CB 3.27Å; E423-L427 WeakPolarHBondContact O-CB 2.98Å; E423-L427 PolarHBondContact O-N 2.81Å
424	V	84.6	Confident	81.9	Confident	25 Å²	25	39.4 Å²	39.4	15%	0.152	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-39.9	173.8	-178.3	0	0	0	0	111.3	V82 F86 L226 S420 Y421 K422 L427 A428	V82-V424 HydrophobicContact CG1-CG1 4.21Å; V82-V424 HydrophobicContact CG2-CG1 3.75Å; F86-V424 HydrophobicContact CE1-CG1 4.3Å; F86-V424 HydrophobicContact CZ-CG1 4.42Å; L226-V424 HydrophobicContact CD1-CG2 3.68Å; L226-V424 HydrophobicContact CD2-CG2 3.87Å; L226-V424 HydrophobicContact CG-CG2 4.39Å; S420-V424 WeakPolarHBondContact O-CG2 3.33Å; S420-V424 PolarHBondContact O-N 3.4Å; Y421-V424 PolarHBondContact O-N 3.39Å; K422-V424 VanDerWaalsContact C-N 3.31Å; K422-V424 PolarHBondContact O-N 2.67Å; V424-L427 PolarHBondContact O-N 3.37Å; V424-A428 PolarHBondContact O-N 3.19Å
425	T	78.6	Confident	82.6	Confident	19 Å²	19	38.7 Å²	38.7	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-41.1	178.5	-55.6	0	0	0	0	111.5	Y421 K422 E423 A428 G429	Y421-T425 PolarHBondContact O-N 2.84Å; Y421-T425 PolarHBondContact O-OG1 2.97Å; K422-T425 WeakPolarHBondContact O-CB 3.17Å; K422-T425 PolarHBondContact O-N 3.23Å; K422-T425 VanDerWaalsContact O-N 3.11Å; E423-T425 VanDerWaalsContact C-N 3.34Å; E423-T425 PolarHBondContact O-N 2.94Å; T425-A428 PolarHBondContact O-N 3.16Å; T425-G429 PolarHBondContact O-N 3.41Å
426	E	79.9	Confident	83.2	Confident	51 Å²	51	39.6 Å²	39.6	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-44.7	173.3	-71.5	177.2	173.8	0	0	110.9	V284 K422 E423 A428 G429 Y430	V284-E426 HydrophobicContact CG1-CG 4.41Å; K422-E426 WeakPolarHBondContact CE-OE1 3.46Å; K422-E426 IonicContact NZ-OE1 2.77Å; K422-E426 PolarHBondContact NZ-OE1 3.13Å; K422-E426 WeakPolarHBondContact O-CG 3.28Å; K422-E426 PolarHBondContact O-N 3.35Å; E423-E426 PolarHBondContact O-N 3.46Å; E426-A428 VanDerWaalsContact C-N 3.3Å; E426-A428 PolarHBondContact O-N 3.48Å; E426-G429 WeakPolarHBondContact O-CA 3.28Å; E426-G429 PolarHBondContact O-N 3.39Å; E426-Y430 HydrophobicContact CB-CE2 4.16Å; E426-Y430 WeakPolarHBondContact O-CD2 3.31Å; E426-Y430 PolarHBondContact O-N 3.08Å
427	L	86.9	Confident	83.6	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-57.8	-41.2	174.6	177.7	62	0	0	0	112	F86 I90 F219 V223 L226 E423 V424 G429 Y430 T431	F86-L427 HydrophobicContact CE2-CG 4.27Å; F86-L427 HydrophobicContact CZ-CD2 4.28Å; F86-L427 HydrophobicContact CZ-CG 4.38Å; I90-L427 HydrophobicContact CD1-CD2 3.97Å; F219-L427 HydrophobicContact CD2-CD1 3.65Å; F219-L427 HydrophobicContact CE2-CD1 3.86Å; V223-L427 HydrophobicContact CG2-CD1 3.53Å; V223-L427 HydrophobicContact CG2-CD2 4.22Å; L226-L427 HydrophobicContact CD2-CD2 3.45Å; L226-L427 VanDerWaalsContact CD2-CD2 3.45Å; E423-L427 VanDerWaalsContact O-CB 3.27Å; E423-L427 WeakPolarHBondContact O-CB 2.98Å; E423-L427 PolarHBondContact O-N 2.81Å; V424-L427 PolarHBondContact O-N 3.37Å; L427-G429 VanDerWaalsContact C-N 3.26Å; L427-G429 PolarHBondContact O-N 2.98Å; L427-Y430 PolarHBondContact O-N 3.46Å; L427-T431 VanDerWaalsContact O-CB 3.25Å; L427-T431 WeakPolarHBondContact O-CB 3.38Å; L427-T431 PolarHBondContact O-N 3.28Å; L427-T431 PolarHBondContact O-OG1 3.35Å
428	A	83.9	Confident	84	Confident	2 Å²	2	32.3 Å²	32.3	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-38.3	176.1	0	0	0	0	0	112	V82 F86 V424 T425 E426 A432	V82-A428 HydrophobicContact CG2-CB 4.41Å; F86-A428 VanDerWaalsContact CD2-CA 3.48Å; F86-A428 HydrophobicContact CD2-CB 3.56Å; F86-A428 HydrophobicContact CE2-CB 3.84Å; F86-A428 HydrophobicContact CG-CB 4.04Å; V424-A428 PolarHBondContact O-N 3.19Å; T425-A428 PolarHBondContact O-N 3.16Å; E426-A428 VanDerWaalsContact C-N 3.3Å; E426-A428 PolarHBondContact O-N 3.48Å; A428-A432 WeakPolarHBondContact O-CB 3.36Å; A428-A432 PolarHBondContact O-N 3.08Å
429	G	82.2	Confident	84.9	Confident	13 Å²	13	31.9 Å²	31.9	13%	0.134	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-48	172.8	0	0	0	0	0	113.1	T425 E426 L427 R433	T425-G429 PolarHBondContact O-N 3.41Å; E426-G429 WeakPolarHBondContact O-CA 3.28Å; E426-G429 PolarHBondContact O-N 3.39Å; L427-G429 VanDerWaalsContact C-N 3.26Å; L427-G429 PolarHBondContact O-N 2.98Å; G429-R433 PolarHBondContact O-N 3.33Å; G429-R433 PolarHBondContact O-NH1 2.93Å
430	Y	86.3	Confident	85.6	Confident	33 Å²	33	29.5 Å²	29.5	13%	0.129	14%	0.143	C	C	.	.	H	α-helix	trans	-65.3	-42.9	177.2	-61.5	-57.7	0	0	0	112	M218 E426 L427 A432 R433 V434	M218-Y430 HydrophobicContact CB-CD1 3.62Å; M218-Y430 HydrophobicContact CB-CD2 4.16Å; M218-Y430 HydrophobicContact CB-CE1 3.44Å; M218-Y430 VanDerWaalsContact CB-CE1 3.44Å; M218-Y430 HydrophobicContact CB-CE2 3.99Å; M218-Y430 HydrophobicContact CB-CG 4.03Å; M218-Y430 HydrophobicContact CE-CE1 4.46Å; M218-Y430 HydrophobicContact CE-CE2 4.29Å; M218-Y430 WeakPolarHBondContact CE-OH 3.47Å; M218-Y430 HydrophobicContact CG-CD1 4.47Å; M218-Y430 HydrophobicContact CG-CE1 3.88Å; E426-Y430 HydrophobicContact CB-CE2 4.16Å; E426-Y430 WeakPolarHBondContact O-CD2 3.31Å; E426-Y430 PolarHBondContact O-N 3.08Å; L427-Y430 PolarHBondContact O-N 3.46Å; Y430-A432 PolarHBondContact O-N 2.98Å; Y430-R433 PolarHBondContact O-N 2.97Å; Y430-V434 WeakPolarHBondContact O-CG2 3.34Å; Y430-V434 PolarHBondContact O-N 3.13Å
431	T	90.6	Very high	86.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.9	-48.3	178.1	-57.3	0	0	0	0	110.6	F86 Q89 I90 L93 F219 L427 R433 V434 H435	F86-T431 HydrophobicContact CD2-CG2 4.08Å; F86-T431 HydrophobicContact CE2-CG2 4.19Å; Q89-T431 HydrophobicContact CB-CG2 3.78Å; I90-T431 HydrophobicContact CB-CG2 4.11Å; L93-T431 HydrophobicContact CD1-CG2 4.03Å; F219-T431 HydrophobicContact CE2-CG2 4.35Å; F219-T431 WeakPolarHBondContact CE2-OG1 3.33Å; L427-T431 VanDerWaalsContact O-CB 3.25Å; L427-T431 WeakPolarHBondContact O-CB 3.38Å; L427-T431 PolarHBondContact O-N 3.28Å; L427-T431 PolarHBondContact O-OG1 3.35Å; T431-R433 VanDerWaalsContact C-N 3.33Å; T431-R433 PolarHBondContact O-N 3.21Å; T431-V434 PolarHBondContact O-N 3.34Å; T431-H435 WeakPolarHBondContact O-CB 3.48Å; T431-H435 PolarHBondContact O-N 3.07Å
432	A	86.3	Confident	86.8	Confident	22 Å²	22	27.6 Å²	27.6	18%	0.182	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-39.7	179	0	0	0	0	0	112.3	P80 A428 Y430 N436	P80-A432 HydrophobicContact CB-CB 4.06Å; A428-A432 WeakPolarHBondContact O-CB 3.36Å; A428-A432 PolarHBondContact O-N 3.08Å; Y430-A432 PolarHBondContact O-N 2.98Å; A432-N436 WeakPolarHBondContact O-CB 3.39Å; A432-N436 PolarHBondContact O-N 3.22Å
433	R	86.4	Confident	87.5	Confident	82 Å²	82	25.7 Å²	25.7	31%	0.309	13%	0.131	S	C	.	.	H	α-helix	trans	-70.6	-47.1	178.8	-69.1	-163.8	-59.3	-81.2	8.2	112.5	D215 G429 Y430 T431 N436 M437	D215-R433 IonicContact OD1-CZ 2.78Å; D215-R433 VanDerWaalsContact OD1-CZ 3.29Å; D215-R433 IonicContact OD1-NE 3.6Å; D215-R433 PolarHBondContact OD1-NE 3.48Å; D215-R433 IonicContact OD1-NH2 3.63Å; D215-R433 PolarHBondContact OD1-NH2 3.49Å; D215-R433 WeakPolarHBondContact OD2-CD 3.46Å; D215-R433 IonicContact OD2-CZ 3.64Å; D215-R433 IonicContact OD2-NE 3.89Å; D215-R433 PolarHBondContact OD2-NE 3.11Å; G429-R433 PolarHBondContact O-N 3.33Å; G429-R433 PolarHBondContact O-NH1 2.93Å; Y430-R433 PolarHBondContact O-N 2.97Å; T431-R433 VanDerWaalsContact C-N 3.33Å; T431-R433 PolarHBondContact O-N 3.21Å; R433-N436 PolarHBondContact O-N 3.47Å; R433-M437 WeakPolarHBondContact O-CB 3.33Å; R433-M437 PolarHBondContact O-N 2.77Å
434	V	91.5	Very high	87.8	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-42.4	178.4	174.9	0	0	0	0	111	L93 D215 V216 F219 Y430 T431 M437 F438	L93-V434 HydrophobicContact CD1-CB 4.33Å; L93-V434 HydrophobicContact CD1-CG1 4.09Å; L93-V434 HydrophobicContact CD2-CG1 4.09Å; D215-V434 HydrophobicContact CB-CG2 4.05Å; V216-V434 HydrophobicContact CG2-CG1 4.32Å; V216-V434 HydrophobicContact CG2-CG2 4.2Å; F219-V434 HydrophobicContact CB-CG2 4.07Å; F219-V434 HydrophobicContact CG-CG2 4.48Å; Y430-V434 WeakPolarHBondContact O-CG2 3.34Å; Y430-V434 PolarHBondContact O-N 3.13Å; T431-V434 PolarHBondContact O-N 3.34Å; V434-M437 WeakPolarHBondContact O-CB 3.46Å; V434-M437 PolarHBondContact O-N 3.23Å; V434-F438 HydrophobicContact CG1-CD2 3.97Å; V434-F438 HydrophobicContact CG1-CE2 3.67Å; V434-F438 WeakPolarHBondContact O-CD2 3.43Å; V434-F438 PolarHBondContact O-N 2.88Å; V434-F438 VanDerWaalsContact O-N 3.17Å
435	H	92.5	Very high	87.9	Confident	28 Å²	28	25.1 Å²	25.1	13%	0.13	13%	0.127	C	C	.	.	H	α-helix	trans	-63.2	-49.9	175.7	178.3	-91.3	0	0	0	111.8	Q89 E92 L93 T431 M437 F438 V439	Q89-H435 HydrophobicContact CB-CB 4.13Å; Q89-H435 HydrophobicContact CG-CB 4.2Å; E92-H435 IonicContact OE2-CD2 3.35Å; E92-H435 IonicContact OE2-CE1 2.94Å; E92-H435 IonicContact OE2-NE2 4Å; E92-H435 PolarHBondContact OE2-NE2 3.32Å; L93-H435 HydrophobicContact CD1-CB 4.41Å; T431-H435 WeakPolarHBondContact O-CB 3.48Å; T431-H435 PolarHBondContact O-N 3.07Å; H435-M437 PolarHBondContact O-N 3.03Å; H435-F438 PolarHBondContact O-N 3Å; H435-F438 VanDerWaalsContact O-N 3.12Å; H435-V439 WeakPolarHBondContact CE1-CG2 3.46Å; H435-V439 WeakPolarHBondContact O-CG2 3.4Å; H435-V439 PolarHBondContact O-N 3.08Å
436	N	89.9	Confident	88.2	Confident	54 Å²	54	32.9 Å²	32.9	29%	0.289	15%	0.154	S	C	.	.	H	α-helix	trans	-58.8	-36.1	177	-174.8	47.5	0	0	0	111.6	A432 R433 V439 V440	A432-N436 WeakPolarHBondContact O-CB 3.39Å; A432-N436 PolarHBondContact O-N 3.22Å; R433-N436 PolarHBondContact O-N 3.47Å; N436-V439 PolarHBondContact O-N 2.99Å; N436-V440 WeakPolarHBondContact O-CB 3.49Å; N436-V440 WeakPolarHBondContact O-CG2 3.29Å; N436-V440 PolarHBondContact O-N 3.26Å
437	M	91.8	Very high	88.2	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-51.3	173.9	-177.3	-168.2	75.4	0	0	111.9	A185 L205 S211 L212 V216 R433 V434 H435 V440 F441	A185-M437 HydrophobicContact CB-CE 4.05Å; L205-M437 HydrophobicContact CD1-CG 4.26Å; L205-M437 HydrophobicContact CD2-CB 4.42Å; S211-M437 VanDerWaalsContact CB-SD 3.52Å; L212-M437 HydrophobicContact CD2-CE 4.12Å; L212-M437 HydrophobicContact CD2-SD 3.93Å; L212-M437 HydrophobicContact CG-SD 3.94Å; V216-M437 HydrophobicContact CG2-CE 4.2Å; R433-M437 WeakPolarHBondContact O-CB 3.33Å; R433-M437 PolarHBondContact O-N 2.77Å; V434-M437 WeakPolarHBondContact O-CB 3.46Å; V434-M437 PolarHBondContact O-N 3.23Å; H435-M437 PolarHBondContact O-N 3.03Å; M437-V440 PolarHBondContact O-N 2.77Å; M437-F441 HydrophobicContact CE-CE2 4.13Å; M437-F441 HydrophobicContact CG-CD1 4.46Å; M437-F441 HydrophobicContact CG-CD2 4.45Å; M437-F441 HydrophobicContact CG-CE1 3.8Å; M437-F441 HydrophobicContact CG-CE2 3.8Å; M437-F441 HydrophobicContact CG-CZ 3.43Å; M437-F441 VanDerWaalsContact CG-CZ 3.43Å; M437-F441 VanDerWaalsContact O-CD1 3.29Å; M437-F441 WeakPolarHBondContact O-CD1 3.15Å; M437-F441 VanDerWaalsContact O-CG 3.31Å; M437-F441 WeakPolarHBondContact O-CG 3.18Å; M437-F441 PolarHBondContact O-N 2.96Å; M437-F441 HydrophobicContact SD-CE2 4.1Å; M437-F441 HydrophobicContact SD-CZ 3.91Å
438	F	92.8	Very high	87.9	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.035	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-41.6	178.3	-75.8	-65.5	0	0	0	112.7	L93 I96 L181 H184 A185 V434 H435 V440 F441 E442	L93-F438 HydrophobicContact CD2-CD2 3.78Å; L93-F438 HydrophobicContact CD2-CE2 4.07Å; I96-F438 HydrophobicContact CD1-CE2 4.48Å; L181-F438 HydrophobicContact CD2-CE2 4.22Å; L181-F438 HydrophobicContact CD2-CZ 4.44Å; H184-F438 AromaticContact CD2-CE1 3.47Å; H184-F438 VanDerWaalsContact CD2-CE1 3.47Å; H184-F438 WeakPolarHBondContact CD2-CE1 3.34Å; H184-F438 AromaticContact CD2-CZ 3.96Å; A185-F438 HydrophobicContact CB-CE1 3.82Å; A185-F438 HydrophobicContact CB-CZ 3.83Å; V434-F438 HydrophobicContact CG1-CD2 3.97Å; V434-F438 HydrophobicContact CG1-CE2 3.67Å; V434-F438 WeakPolarHBondContact O-CD2 3.43Å; V434-F438 PolarHBondContact O-N 2.88Å; V434-F438 VanDerWaalsContact O-N 3.17Å; H435-F438 PolarHBondContact O-N 3Å; H435-F438 VanDerWaalsContact O-N 3.12Å; F438-V440 VanDerWaalsContact C-N 3.32Å; F438-V440 PolarHBondContact O-N 3.08Å; F438-F441 PolarHBondContact O-N 3.23Å; F438-E442 WeakPolarHBondContact O-CG 3.16Å; F438-E442 PolarHBondContact O-N 3.21Å
439	V	91.5	Very high	87.8	Confident	45 Å²	45	35.1 Å²	35.1	27%	0.273	17%	0.168	S	C	.	.	H	α-helix	trans	-60.4	-43.2	176	171.5	0	0	0	0	111.2	H435 N436 F441 E442 D443	H435-V439 WeakPolarHBondContact CE1-CG2 3.46Å; H435-V439 WeakPolarHBondContact O-CG2 3.4Å; H435-V439 PolarHBondContact O-N 3.08Å; N436-V439 PolarHBondContact O-N 2.99Å; V439-F441 VanDerWaalsContact C-N 3.34Å; V439-E442 PolarHBondContact O-N 3.27Å; V439-D443 VanDerWaalsContact O-CB 3.3Å; V439-D443 WeakPolarHBondContact O-CB 2.99Å; V439-D443 VanDerWaalsContact O-CG 3.28Å; V439-D443 PolarHBondContact O-N 3.12Å
440	V	90	Very high	87.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-39.8	177.3	171.7	0	0	0	0	110.8	V198 R204 L205 N436 M437 F438 D443 V444	V198-V440 HydrophobicContact CG1-CG1 4.41Å; V198-V440 HydrophobicContact CG2-CG1 4.39Å; R204-V440 HydrophobicContact CB-CG2 4.08Å; L205-V440 HydrophobicContact CD1-CB 3.7Å; L205-V440 HydrophobicContact CD1-CG1 3.56Å; L205-V440 HydrophobicContact CD1-CG2 4.23Å; L205-V440 HydrophobicContact CG-CB 4.07Å; L205-V440 HydrophobicContact CG-CG1 3.95Å; L205-V440 HydrophobicContact CG-CG2 4.05Å; N436-V440 WeakPolarHBondContact O-CB 3.49Å; N436-V440 WeakPolarHBondContact O-CG2 3.29Å; N436-V440 PolarHBondContact O-N 3.26Å; M437-V440 PolarHBondContact O-N 2.77Å; F438-V440 VanDerWaalsContact C-N 3.32Å; F438-V440 PolarHBondContact O-N 3.08Å; V440-D443 PolarHBondContact O-N 3.29Å; V440-V444 HydrophobicContact CG1-CG2 4.23Å; V440-V444 VanDerWaalsContact O-CB 3.25Å; V440-V444 WeakPolarHBondContact O-CB 3.27Å; V440-V444 WeakPolarHBondContact O-CG2 3.3Å; V440-V444 PolarHBondContact O-N 3.34Å
441	F	91.6	Very high	86.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-45.9	175.8	-65.7	-3.7	0	0	0	111.5	T188 Y189 T194 V198 L205 L212 M437 F438 V439 V444 Q445	T188-F441 HydrophobicContact CG2-CB 3.77Å; T188-F441 HydrophobicContact CG2-CD2 4.26Å; Y189-F441 HydrophobicContact CD2-CD1 4.43Å; Y189-F441 AromaticContact CD2-CE1 3.71Å; Y189-F441 HydrophobicContact CD2-CE1 3.71Å; Y189-F441 AromaticContact CD2-CE2 3.85Å; Y189-F441 HydrophobicContact CD2-CE2 3.85Å; Y189-F441 AromaticContact CD2-CZ 3.37Å; Y189-F441 HydrophobicContact CD2-CZ 3.37Å; Y189-F441 HydrophobicContact CE2-CE1 4.13Å; Y189-F441 HydrophobicContact CE2-CZ 4.01Å; Y189-F441 HydrophobicContact CG-CE2 4.29Å; Y189-F441 HydrophobicContact CG-CZ 4.19Å; T194-F441 HydrophobicContact CG2-CB 4.17Å; T194-F441 HydrophobicContact CG2-CD1 4.36Å; T194-F441 HydrophobicContact CG2-CG 4.35Å; V198-F441 HydrophobicContact CG1-CD1 4.44Å; V198-F441 HydrophobicContact CG1-CE1 4.09Å; V198-F441 HydrophobicContact CG2-CD1 3.66Å; V198-F441 HydrophobicContact CG2-CE1 4.02Å; L205-F441 HydrophobicContact CD1-CD1 4.29Å; L205-F441 HydrophobicContact CD1-CE1 3.89Å; L212-F441 HydrophobicContact CD1-CZ 4.49Å; L212-F441 HydrophobicContact CD2-CE2 4.17Å; L212-F441 HydrophobicContact CD2-CZ 4.31Å; L212-F441 HydrophobicContact CG-CZ 4.44Å; M437-F441 HydrophobicContact CE-CE2 4.13Å; M437-F441 HydrophobicContact CG-CD1 4.46Å; M437-F441 HydrophobicContact CG-CD2 4.45Å; M437-F441 HydrophobicContact CG-CE1 3.8Å; M437-F441 HydrophobicContact CG-CE2 3.8Å; M437-F441 HydrophobicContact CG-CZ 3.43Å; M437-F441 VanDerWaalsContact CG-CZ 3.43Å; M437-F441 VanDerWaalsContact O-CD1 3.29Å; M437-F441 WeakPolarHBondContact O-CD1 3.15Å; M437-F441 VanDerWaalsContact O-CG 3.31Å; M437-F441 WeakPolarHBondContact O-CG 3.18Å; M437-F441 PolarHBondContact O-N 2.96Å; M437-F441 HydrophobicContact SD-CE2 4.1Å; M437-F441 HydrophobicContact SD-CZ 3.91Å; F438-F441 PolarHBondContact O-N 3.23Å; V439-F441 VanDerWaalsContact C-N 3.34Å; F441-V444 PolarHBondContact O-N 3.44Å; F441-Q445 VanDerWaalsContact O-CG 3.29Å; F441-Q445 WeakPolarHBondContact O-CG 3.27Å; F441-Q445 PolarHBondContact O-N 3.12Å
442	E	90.4	Very high	84.7	Confident	84 Å²	84	47.6 Å²	47.6	39%	0.393	23%	0.228	S	C	.	.	H	α-helix	trans	-65.5	-42.9	177.4	-71.9	-178.6	-166.2	0	0	112.7	F438 V439 V444 Q445 R446	F438-E442 WeakPolarHBondContact O-CG 3.16Å; F438-E442 PolarHBondContact O-N 3.21Å; V439-E442 PolarHBondContact O-N 3.27Å; E442-V444 VanDerWaalsContact C-N 3.33Å; E442-V444 PolarHBondContact O-N 3.34Å; E442-Q445 PolarHBondContact O-N 2.93Å; E442-R446 WeakPolarHBondContact O-CG 3.5Å; E442-R446 PolarHBondContact O-N 3.18Å
443	D	88.7	Confident	82.5	Confident	26 Å²	26	51 Å²	51	14%	0.139	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-44.8	176.7	-80.7	-9.3	0	0	0	110.8	R204 V439 V440 R446 G447 I448	R204-D443 IonicContact CZ-OD2 2.66Å; R204-D443 IonicContact NH1-OD2 3.23Å; R204-D443 PolarHBondContact NH1-OD2 2.89Å; R204-D443 IonicContact NH2-OD2 3.93Å; R204-D443 PolarHBondContact NH2-OD2 3.3Å; V439-D443 VanDerWaalsContact O-CB 3.3Å; V439-D443 WeakPolarHBondContact O-CB 2.99Å; V439-D443 VanDerWaalsContact O-CG 3.28Å; V439-D443 PolarHBondContact O-N 3.12Å; V440-D443 PolarHBondContact O-N 3.29Å; D443-R446 CarbonylContact O-C 3.58Å; D443-R446 PolarHBondContact O-N 3.39Å; D443-G447 PolarHBondContact O-N 3.26Å; D443-I448 HydrophobicContact CB-CB 4.36Å; D443-I448 WeakPolarHBondContact O-CB 3.48Å; D443-I448 PolarHBondContact O-N 2.95Å
444	V	87.6	Confident	80.4	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-37.6	179.7	165.2	0	0	0	0	111.8	T194 R197 V198 D202 V440 F441 E442 R446 G447 Y449	T194-V444 HydrophobicContact CG2-CG1 4.17Å; R197-V444 HydrophobicContact CB-CG1 3.27Å; R197-V444 HydrophobicContact CG-CG1 4.26Å; V198-V444 HydrophobicContact CG2-CB 4.23Å; V198-V444 HydrophobicContact CG2-CG1 4.12Å; V198-V444 HydrophobicContact CG2-CG2 4.09Å; D202-V444 HydrophobicContact CB-CG2 3.94Å; V440-V444 HydrophobicContact CG1-CG2 4.23Å; V440-V444 VanDerWaalsContact O-CB 3.25Å; V440-V444 WeakPolarHBondContact O-CB 3.27Å; V440-V444 WeakPolarHBondContact O-CG2 3.3Å; V440-V444 PolarHBondContact O-N 3.34Å; F441-V444 PolarHBondContact O-N 3.44Å; E442-V444 VanDerWaalsContact C-N 3.33Å; E442-V444 PolarHBondContact O-N 3.34Å; V444-R446 VanDerWaalsContact C-N 3.27Å; V444-R446 PolarHBondContact O-N 3.33Å; V444-G447 PolarHBondContact O-N 3.34Å; V444-Y449 HydrophobicContact CG1-CE1 4.05Å; V444-Y449 HydrophobicContact CG2-CD1 4.39Å
445	Q	86.6	Confident	77.6	Confident	59 Å²	59	57.6 Å²	57.6	28%	0.276	30%	0.295	S	S	.	.	H	α-helix	trans	-62.3	-36.4	172.4	-76.9	177.1	-9.1	0	0	112.1	T188 T194 F441 E442 G447	T188-Q445 VanDerWaalsContact CG2-NE2 3.34Å; T188-Q445 PolarHBondContact O-NE2 3.42Å; T194-Q445 HydrophobicContact CG2-CG 4.42Å; T194-Q445 WeakPolarHBondContact OG1-CG 3.27Å; T194-Q445 PolarHBondContact OG1-NE2 3.09Å; F441-Q445 VanDerWaalsContact O-CG 3.29Å; F441-Q445 WeakPolarHBondContact O-CG 3.27Å; F441-Q445 PolarHBondContact O-N 3.12Å; E442-Q445 PolarHBondContact O-N 2.93Å; Q445-G447 PolarHBondContact O-N 2.94Å
446	R	84.9	Confident	74.8	Confident	182 Å²	182	60.9 Å²	60.9	69%	0.687	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-0.9	174	-66.8	175.5	-173.9	-179.9	7.2	113.8	E442 D443 V444 I448	E442-R446 WeakPolarHBondContact O-CG 3.5Å; E442-R446 PolarHBondContact O-N 3.18Å; D443-R446 CarbonylContact O-C 3.58Å; D443-R446 PolarHBondContact O-N 3.39Å; V444-R446 VanDerWaalsContact C-N 3.27Å; V444-R446 PolarHBondContact O-N 3.33Å; R446-I448 HydrophobicContact CB-CD1 4.37Å; R446-I448 HydrophobicContact CB-CG1 4.35Å
447	G	79.8	Confident	71.9	Confident	11 Å²	11	64.4 Å²	64.4	11%	0.113	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	16.5	-178.2	0	0	0	0	0	114.5	D443 V444 Q445 Y449 I476	D443-G447 PolarHBondContact O-N 3.26Å; V444-G447 PolarHBondContact O-N 3.34Å; Q445-G447 PolarHBondContact O-N 2.94Å; G447-Y449 VanDerWaalsContact O-CD2 3.32Å; G447-Y449 WeakPolarHBondContact O-CD2 3.4Å; G447-Y449 WeakPolarHBondContact O-CE2 3.46Å; G447-I476 WeakPolarHBondContact O-CD1 3.46Å
448	I	81.4	Confident	69.2	Low	74 Å²	74	71.4 Å²	71.4	38%	0.379	39%	0.394	S	S	.	.			trans	-93.6	101.3	178.1	-55.5	173.3	0	0	0	108.9	D443 R446	D443-I448 HydrophobicContact CB-CB 4.36Å; D443-I448 WeakPolarHBondContact O-CB 3.48Å; D443-I448 PolarHBondContact O-N 2.95Å; R446-I448 HydrophobicContact CB-CD1 4.37Å; R446-I448 HydrophobicContact CB-CG1 4.35Å
449	Y	81.5	Confident	66.2	Low	17 Å²	17	73.4 Å²	73.4	7%	0.067	42%	0.417	C	S	.	.			trans	-98.5	131.5	178.5	-51.9	-74.6	0	0	0	110.8	R197 M201 V444 G447 I476 P538	R197-Y449 HydrophobicContact CB-CE1 4.15Å; R197-Y449 WeakPolarHBondContact CD-OH 3.42Å; R197-Y449 HydrophobicContact CG-CE1 4.44Å; M201-Y449 HydrophobicContact CB-CD1 3.76Å; M201-Y449 HydrophobicContact CB-CE1 4.04Å; M201-Y449 HydrophobicContact CB-CG 4.43Å; M201-Y449 HydrophobicContact CE-CD1 3.91Å; M201-Y449 HydrophobicContact CE-CD2 3.79Å; M201-Y449 HydrophobicContact CE-CE1 3.66Å; M201-Y449 HydrophobicContact CE-CE2 3.53Å; M201-Y449 HydrophobicContact CE-CG 3.97Å; M201-Y449 VanDerWaalsContact CE-CZ 3.47Å; M201-Y449 HydrophobicContact SD-CD1 4.36Å; M201-Y449 HydrophobicContact SD-CE1 3.79Å; V444-Y449 HydrophobicContact CG1-CE1 4.05Å; V444-Y449 HydrophobicContact CG2-CD1 4.39Å; G447-Y449 VanDerWaalsContact O-CD2 3.32Å; G447-Y449 WeakPolarHBondContact O-CD2 3.4Å; G447-Y449 WeakPolarHBondContact O-CE2 3.46Å; Y449-I476 HydrophobicContact CE2-CD1 3.96Å; Y449-P538 HydrophobicContact CE2-CG 3.94Å
450	K	73.1	Confident	63.5	Low	105 Å²	105	78.4 Å²	78.4	46%	0.457	45%	0.448	S	S	.	.			trans	-125.9	104.8	172.7	-64.9	177.8	-175.5	167.9	0	108.7	D202 G203 R204	D202-K450 PolarHBondContact OD2-N 3.1Å; D202-K450 VanDerWaalsContact OD2-N 3.1Å; G203-K450 PolarHBondContact N-O 2.91Å; R204-K450 HydrophobicContact CG-CB 4.29Å
451	R	66.4	Low	60.6	Low	114 Å²	114	84.2 Å²	84.2	43%	0.43	48%	0.483	S	S	.	.			trans	-95.9	127.4	168.5	-156.5	168.6	-173.1	139.2	4.6	107.7	N200 S453 N498	N200-R451 PolarHBondContact O-NH1 2.84Å; N200-R451 VanDerWaalsContact O-NH1 3.12Å; R451-S453 PolarHBondContact O-N 2.87Å; R451-N498 PolarHBondContact NE-OD1 3.09Å; R451-N498 PolarHBondContact NH1-OD1 3.34Å; R451-N498 VanDerWaalsContact NH1-OD1 3.13Å
452	S	53.2	Low	57.8	Low	89 Å²	89	93.2 Å²	93.2	62%	0.622	53%	0.531	S	S	*	.			trans	-60.1	109.8	164.5	-175.8	0	0	0	0	105.5	L454	S452-L454 PolarHBondContact O-N 3.24Å
453	S	41	Very low	55.4	Low	92 Å²	92	97.8 Å²	97.8	64%	0.643	55%	0.549	S	S	*	.			trans	-46.7	120.3	171.1	55.3	0	0	0	0	106.7	R451 S455	R451-S453 PolarHBondContact O-N 2.87Å; S453-S455 VanDerWaalsContact C-N 3.27Å; S453-S455 PolarHBondContact O-N 3.21Å
454	L	42.1	Very low	52.9	Low	157 Å²	157	102.3 Å²	102.3	82%	0.822	58%	0.583	S	S	*	*			trans	-54.7	107.1	162.2	-79.6	153.3	0	0	0	104.2	S452 A456	S452-L454 PolarHBondContact O-N 3.24Å; L454-A456 PolarHBondContact O-N 3.43Å; L454-A456 VanDerWaalsContact O-N 3.16Å
455	S	33	Very low	50.7	Low	64 Å²	64	111.1 Å²	111.1	45%	0.448	62%	0.621	S	S	.	*			trans	-42	128.4	174.9	-63.3	0	0	0	0	107.7	S453 T457	S453-S455 VanDerWaalsContact C-N 3.27Å; S453-S455 PolarHBondContact O-N 3.21Å; S455-T457 VanDerWaalsContact C-N 3.27Å; S455-T457 PolarHBondContact O-N 3.5Å; S455-T457 PolarHBondContact O-OG1 3.28Å
456	A	32.4	Very low	48.8	Very low	97 Å²	97	111.2 Å²	111.2	80%	0.802	63%	0.627	S	S	*	*			trans	-48.2	94.4	173.8	0	0	0	0	0	109.4	L454 T458	L454-A456 PolarHBondContact O-N 3.43Å; L454-A456 VanDerWaalsContact O-N 3.16Å; A456-T458 VanDerWaalsContact C-N 3.31Å; A456-T458 PolarHBondContact O-N 2.92Å
457	T	30.1	Very low	47	Very low	129 Å²	129	112.1 Å²	112.1	79%	0.791	64%	0.639	S	S	*	*			trans	-72.2	98.9	170.2	-44.9	0	0	0	0	105.1	S455 G459	S455-T457 VanDerWaalsContact C-N 3.27Å; S455-T457 PolarHBondContact O-N 3.5Å; S455-T457 PolarHBondContact O-OG1 3.28Å; T457-G459 VanDerWaalsContact C-N 3.3Å; T457-G459 PolarHBondContact O-N 2.99Å
458	T	35.6	Very low	46.1	Very low	146 Å²	146	117.8 Å²	117.8	90%	0.896	66%	0.664	S	S	*	*			trans	-46.1	98.5	158.2	23.1	0	0	0	0	108.6	A456	A456-T458 VanDerWaalsContact C-N 3.31Å; A456-T458 PolarHBondContact O-N 2.92Å
459	G	29.6	Very low	45.6	Very low	51 Å²	51	118.6 Å²	118.6	53%	0.526	67%	0.666	S	S	.	*			trans	-153.3	89.6	177.2	0	0	0	0	0	107	T457 T461	T457-G459 VanDerWaalsContact C-N 3.3Å; T457-G459 PolarHBondContact O-N 2.99Å; G459-T461 PolarHBondContact O-N 3.06Å
460	T	33.3	Very low	45	Very low	150 Å²	150	121.3 Å²	121.3	92%	0.92	68%	0.681	S	S	*	*			trans	-39	98.2	168.8	34	0	0	0	0	111.6
461	T	30	Very low	44.2	Very low	121 Å²	121	123.3 Å²	123.3	74%	0.742	70%	0.697	S	S	*	*			trans	-146.2	113.1	152	23.5	0	0	0	0	106.1	G459 K463	G459-T461 PolarHBondContact O-N 3.06Å; T461-K463 VanDerWaalsContact C-N 3.26Å; T461-K463 PolarHBondContact O-N 3.5Å
462	L	33.6	Very low	44	Very low	189 Å²	189	120.4 Å²	120.4	99%	0.99	70%	0.702	S	S	*	*			trans	-60.1	93.4	167.9	-83.9	98.9	0	0	0	108
463	K	38.9	Very low	44.5	Very low	180 Å²	180	120.9 Å²	120.9	78%	0.783	70%	0.703	S	S	*	*			trans	-121.1	125.5	150.9	-76	-172.7	174.8	-176.5	0	105.3	T461 K465	T461-K463 VanDerWaalsContact C-N 3.26Å; T461-K463 PolarHBondContact O-N 3.5Å; K463-K465 PolarHBondContact O-N 3.42Å
464	S	36.4	Very low	45.9	Very low	122 Å²	122	117.8 Å²	117.8	85%	0.853	68%	0.679	S	S	*	*			trans	-32.9	102.5	178.1	38.2	0	0	0	0	111.5
465	K	41.2	Very low	47.5	Very low	184 Å²	184	116.1 Å²	116.1	80%	0.8	67%	0.667	S	S	*	*			trans	-67.1	133.5	163.9	-79.8	-177.3	172.3	-174.5	0	106.5	K463 E467	K463-K465 PolarHBondContact O-N 3.42Å; K465-E467 PolarHBondContact O-N 3.45Å
466	P	47.2	Very low	49.9	Very low	62 Å²	62	116.6 Å²	116.6	40%	0.403	66%	0.664	S	S	.	*			trans	-55.5	135.6	166.9	20.6	-27.4	0	0	0	109	M468 D500	P466-M468 PolarHBondContact O-N 3.42Å; P466-D500 HydrophobicContact CG-CB 3.87Å
467	E	48.1	Very low	52.3	Low	200 Å²	200	118.9 Å²	118.9	94%	0.935	66%	0.656	S	S	*	*	S	Bend	trans	-65.5	-7.1	-167.4	-67.3	-174.4	146.8	0	0	114.4	K465	K465-E467 PolarHBondContact O-N 3.45Å
468	M	60.5	Low	54.9	Low	130 Å²	130	113.5 Å²	113.5	64%	0.64	63%	0.626	S	S	*	*			trans	-139.1	111.3	178.5	-115.5	177.4	168.7	0	0	110.9	P466 V501	P466-M468 PolarHBondContact O-N 3.42Å; M468-V501 HydrophobicContact CB-CB 3.99Å; M468-V501 HydrophobicContact CB-CG2 4.07Å; M468-V501 WeakPolarHBondContact O-CB 3.33Å; M468-V501 PolarHBondContact O-N 2.93Å
469	H	69.9	Low	57.5	Low	92 Å²	92	111.3 Å²	111.3	43%	0.426	61%	0.606	S	S	.	*	B	Isolated β-bridge	trans	-113.6	129.7	169.6	-173.9	82.7	0	0	0	108.6	D471 N498 D500	H469-D471 IonicContact CD2-OD1 3.13Å; H469-D471 PolarHBondContact CD2-OD1 3.48Å; H469-D471 IonicContact NE2-OD1 3.84Å; H469-N498 PolarHBondContact CE1-O 3.01Å; H469-D500 IonicContact CE1-OD1 3.71Å; H469-D500 PolarHBondContact CE1-OD1 3.05Å; H469-D500 IonicContact CG-OD1 3.72Å; H469-D500 IonicContact ND1-OD1 2.99Å; H469-D500 PolarHBondContact ND1-OD1 3.33Å
470	I	69.6	Low	60.4	Low	74 Å²	74	112.5 Å²	112.5	38%	0.379	60%	0.602	S	S	.	*			trans	-90.8	107.7	178.6	-58.8	175.6	0	0	0	108.7	G472 L474 I495 G499 V501	I470-G472 PolarHBondContact O-N 2.89Å; I470-L474 HydrophobicContact CB-CD2 4.1Å; I470-L474 HydrophobicContact CD1-CD2 4.25Å; I470-L474 HydrophobicContact CG2-CD2 4.11Å; I470-I495 HydrophobicContact CD1-CD1 3.92Å; I470-G499 PolarHBondContact N-O 2.82Å; I470-V501 HydrophobicContact CD1-CG2 4.1Å; I470-V501 HydrophobicContact CG1-CG2 4.16Å
471	D	55.4	Low	63.2	Low	147 Å²	147	108.3 Å²	108.3	79%	0.786	57%	0.574	S	S	*	*			trans	-77.5	108.3	172.6	-71.5	-41.3	0	0	0	110.3	H469	H469-D471 IonicContact CD2-OD1 3.13Å; H469-D471 PolarHBondContact CD2-OD1 3.48Å; H469-D471 IonicContact NE2-OD1 3.84Å
472	G	62.5	Low	66.1	Low	52 Å²	52	108 Å²	108	54%	0.536	57%	0.568	S	S	.	*	S	Bend	trans	139.7	-177.6	173.6	0	0	0	0	0	114.7	I470 L474	I470-G472 PolarHBondContact O-N 2.89Å; G472-L474 PolarHBondContact O-N 2.91Å
473	P	64	Low	68.8	Low	99 Å²	99	100.8 Å²	100.8	64%	0.643	53%	0.531	S	S	*	.			trans	-65.4	124.9	173	27.4	-31.5	0	0	0	109.8	E475	P473-E475 PolarHBondContact O-N 3.45Å
474	L	71.2	Confident	71	Confident	27 Å²	27	98.7 Å²	98.7	14%	0.141	53%	0.529	C	S	.	.			trans	-71	114.2	178.6	-64.7	168.6	0	0	0	109.8	I470 G472 I495 Y540	I470-L474 HydrophobicContact CB-CD2 4.1Å; I470-L474 HydrophobicContact CD1-CD2 4.25Å; I470-L474 HydrophobicContact CG2-CD2 4.11Å; G472-L474 PolarHBondContact O-N 2.91Å; L474-I495 HydrophobicContact CD2-CG2 4.26Å; L474-Y540 HydrophobicContact CB-CD1 3.97Å; L474-Y540 HydrophobicContact CB-CE1 3.41Å; L474-Y540 VanDerWaalsContact CB-CE1 3.41Å; L474-Y540 HydrophobicContact CD1-CE1 4.06Å; L474-Y540 HydrophobicContact CD1-CE2 4.38Å; L474-Y540 HydrophobicContact CG-CE1 4.27Å
475	E	75.9	Confident	73.4	Confident	123 Å²	123	101 Å²	101	58%	0.575	52%	0.518	S	S	*	.			trans	-83.3	126.9	175.7	-66.4	-179.6	165.8	0	0	110.4	P473 K477	P473-E475 PolarHBondContact O-N 3.45Å; E475-K477 HydrophobicContact CB-CG 4.34Å; E475-K477 PolarHBondContact O-N 2.96Å; E475-K477 WeakPolarHBondContact OE2-CE 3.43Å; E475-K477 IonicContact OE2-NZ 3.81Å; E475-K477 PolarHBondContact OE2-NZ 3.46Å
476	I	82.7	Confident	75.6	Confident	74 Å²	74	92.7 Å²	92.7	38%	0.379	49%	0.485	S	S	.	.			trans	-78.4	102.1	174.7	-52.2	173.1	0	0	0	108	G447 Y449 P538 V539 Y540	G447-I476 WeakPolarHBondContact O-CD1 3.46Å; Y449-I476 HydrophobicContact CE2-CD1 3.96Å; I476-P538 HydrophobicContact CD1-CB 3.76Å; I476-P538 HydrophobicContact CD1-CG 4.2Å; I476-P538 HydrophobicContact CG1-CB 3.93Å; I476-P538 HydrophobicContact CG1-CG 4.2Å; I476-P538 HydrophobicContact CG2-CB 4.08Å; I476-V539 WeakPolarHBondContact CG2-O 3.27Å; I476-Y540 HydrophobicContact CG1-CD1 4.49Å; I476-Y540 HydrophobicContact CG1-CE1 4.38Å
477	K	83.3	Confident	77.9	Confident	145 Å²	145	89.7 Å²	89.7	63%	0.63	47%	0.466	S	S	*	.			trans	-108.5	-5.5	178	-63.1	177.1	176.4	163.6	0	113.9	E475 Y540	E475-K477 HydrophobicContact CB-CG 4.34Å; E475-K477 PolarHBondContact O-N 2.96Å; E475-K477 WeakPolarHBondContact OE2-CE 3.43Å; E475-K477 IonicContact OE2-NZ 3.81Å; E475-K477 PolarHBondContact OE2-NZ 3.46Å; K477-Y540 WeakPolarHBondContact CB-O 3.3Å; K477-Y540 PolarHBondContact N-O 2.86Å; K477-Y540 VanDerWaalsContact N-O 3.16Å
478	G	84.3	Confident	80.1	Confident	16 Å²	16	81.8 Å²	81.8	17%	0.165	43%	0.431	C	S	.	.			trans	-80.7	153.1	-179.6	0	0	0	0	0	112.9	V539 G542	G478-V539 VanDerWaalsContact CA-O 3.24Å; G478-V539 WeakPolarHBondContact CA-O 3.4Å; G478-V539 PolarHBondContact N-O 2.85Å; G478-G542 VanDerWaalsContact CA-O 3.29Å; G478-G542 WeakPolarHBondContact CA-O 3.39Å
479	E	90	Very high	81.7	Confident	100 Å²	100	75.8 Å²	75.8	47%	0.467	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.9	176.9	-63.3	174.1	161.7	0	0	109.6	G542 R543 L544	E479-G542 PolarHBondContact N-O 2.94Å; E479-R543 HydrophobicContact CB-CG 4.32Å; E479-R543 WeakPolarHBondContact O-CA 3.45Å; E479-R543 IonicContact OE2-CZ 3.55Å; E479-R543 IonicContact OE2-NE 3.7Å; E479-R543 PolarHBondContact OE2-NE 3.34Å; E479-R543 IonicContact OE2-NH2 2.81Å; E479-R543 PolarHBondContact OE2-NH2 3.05Å; E479-L544 PolarHBondContact O-N 2.94Å
480	V	90.9	Very high	82.9	Confident	75 Å²	75	75.1 Å²	75.1	46%	0.455	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.1	171.6	-176.8	0	0	0	0	107.8	V539 L544 K546	V480-V539 HydrophobicContact CG2-CB 4.26Å; V480-V539 HydrophobicContact CG2-CG2 3.64Å; V480-L544 CarbonylContact C-O 3.55Å; V480-L544 WeakPolarHBondContact CA-O 3.44Å; V480-K546 HydrophobicContact CG1-CD 4.44Å; V480-K546 HydrophobicContact CG1-CG 4.27Å
481	I	92.2	Very high	83.9	Confident	63 Å²	63	75.9 Å²	75.9	32%	0.323	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.6	-176.7	-59.4	166.6	0	0	0	107.4	V483 L544 H545 K546	I481-V483 HydrophobicContact CG2-CG1 4.21Å; I481-V483 PolarHBondContact O-N 3.38Å; I481-L544 PolarHBondContact N-O 3.18Å; I481-H545 WeakPolarHBondContact CD1-CE1 3.23Å; I481-H545 VanDerWaalsContact O-CA 3.31Å; I481-H545 WeakPolarHBondContact O-CA 3.45Å; I481-K546 PolarHBondContact O-N 2.94Å; I481-K546 VanDerWaalsContact O-N 3.1Å
482	D	90.4	Very high	85.7	Confident	114 Å²	114	68.9 Å²	68.9	61%	0.61	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	126.8	175.3	-63.8	-44	0	0	0	109.5	K546	D482-K546 WeakPolarHBondContact CA-O 3.18Å
483	V	91.4	Very high	87.1	Confident	38 Å²	38	67.2 Å²	67.2	23%	0.23	35%	0.346	C	S	.	.			trans	-126.4	154.9	-179.6	-64.8	0	0	0	0	110.6	I481 R485 G486 H545 K546 P547	I481-V483 HydrophobicContact CG2-CG1 4.21Å; I481-V483 PolarHBondContact O-N 3.38Å; V483-R485 VanDerWaalsContact C-N 3.34Å; V483-R485 PolarHBondContact O-N 2.63Å; V483-G486 WeakPolarHBondContact CG2-O 3.31Å; V483-H545 HydrophobicContact CG1-CB 4Å; V483-H545 HydrophobicContact CG2-CB 4.12Å; V483-K546 PolarHBondContact N-O 2.86Å; V483-P547 VanDerWaalsContact O-CA 3.23Å; V483-P547 WeakPolarHBondContact O-CA 3.2Å
484	D	84.5	Confident	88.4	Confident	135 Å²	135	62.5 Å²	62.5	72%	0.722	32%	0.316	S	S	*	.	S	Bend	trans	-74.1	-27.4	-178.7	-67	-30.2	0	0	0	113.6	K637	D484-K637 PolarHBondContact O-NZ 3.24Å
485	R	85.6	Confident	89.3	Confident	170 Å²	170	61.8 Å²	61.8	64%	0.642	31%	0.312	S	S	*	.	S	Bend	trans	-147.7	144.9	-172.2	-54	-172.8	-178.5	-149	10.5	111.3	V483 E512	V483-R485 VanDerWaalsContact C-N 3.34Å; V483-R485 PolarHBondContact O-N 2.63Å; R485-E512 HydrophobicContact CB-CG 4.35Å; R485-E512 WeakPolarHBondContact CD-OE2 3.32Å; R485-E512 VanDerWaalsContact CG-OE1 3.31Å; R485-E512 WeakPolarHBondContact CG-OE1 3.35Å; R485-E512 IonicContact CZ-OE2 2.68Å; R485-E512 IonicContact NE-OE1 3.43Å; R485-E512 IonicContact NE-OE2 3.29Å; R485-E512 IonicContact NH1-OE2 3.95Å; R485-E512 PolarHBondContact NH1-OE2 2.82Å
486	G	88.8	Confident	89.8	Confident	10 Å²	10	56.9 Å²	56.9	10%	0.103	29%	0.29	C	S	.	.			trans	81.8	152.8	176.2	0	0	0	0	0	114.1	V483 V510 P547 Y638	V483-G486 WeakPolarHBondContact CG2-O 3.31Å; G486-V510 CarbonylContact C-O 3.52Å; G486-V510 WeakPolarHBondContact CA-O 3.14Å; G486-P547 WeakPolarHBondContact O-CD 3.24Å; G486-Y638 VanDerWaalsContact CA-OH 3.26Å; G486-Y638 WeakPolarHBondContact CA-OH 3.42Å; G486-Y638 PolarHBondContact N-OH 3.33Å
487	I	93.9	Very high	89.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.6	171.1	-60.3	168.3	0	0	0	107.3	K509 V510 L533 H545 P547 M552 Y638 L668	I487-K509 CarbonylContact O-C 3.6Å; I487-K509 WeakPolarHBondContact O-CA 3.22Å; I487-V510 HydrophobicContact CB-CB 4.27Å; I487-V510 PolarHBondContact N-O 2.88Å; I487-V510 PolarHBondContact O-N 3.31Å; I487-L533 HydrophobicContact CG2-CD2 3.71Å; I487-H545 WeakPolarHBondContact CA-O 3.24Å; I487-P547 HydrophobicContact CG1-CG 4.43Å; I487-M552 HydrophobicContact CD1-CE 3.99Å; I487-Y638 HydrophobicContact CD1-CD1 4.14Å; I487-Y638 HydrophobicContact CD1-CG 4.29Å; I487-L668 HydrophobicContact CD1-CD2 3.95Å
488	V	94.9	Very high	89.2	Confident	34 Å²	34	51 Å²	51	21%	0.206	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.6	179.6	-165.7	0	0	0	0	110.2	E490 L508 K509 H545	V488-E490 HydrophobicContact CG1-CG 4.07Å; V488-L508 CarbonylContact C-O 3.51Å; V488-L508 VanDerWaalsContact CA-O 3.27Å; V488-L508 WeakPolarHBondContact CA-O 3.44Å; V488-K509 HydrophobicContact CG2-CG 4.1Å; V488-H545 HydrophobicContact CB-CB 3.94Å; V488-H545 HydrophobicContact CG2-CB 4.3Å; V488-H545 PolarHBondContact N-O 3.27Å; V488-H545 PolarHBondContact O-N 2.7Å
489	C	94.5	Very high	88.8	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.02	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.9	168.3	-59.4	0	0	0	0	108.2	V492 N507 L508	C489-V492 HydrophobicContact CB-CB 4.22Å; C489-V492 HydrophobicContact CB-CG2 3.96Å; C489-N507 VanDerWaalsContact O-CA 3.27Å; C489-N507 WeakPolarHBondContact O-CA 3.46Å; C489-L508 HydrophobicContact CB-CB 4.09Å; C489-L508 PolarHBondContact N-O 3.37Å; C489-L508 PolarHBondContact O-N 3.49Å
490	E	94.1	Very high	88.5	Confident	79 Å²	79	47.5 Å²	47.5	37%	0.369	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	106.9	173.5	-57.8	-175.6	164.9	0	0	109.4	V488 V492 N507 G542 R543	V488-E490 HydrophobicContact CG1-CG 4.07Å; E490-V492 VanDerWaalsContact C-N 3.26Å; E490-V492 PolarHBondContact O-N 3.19Å; E490-N507 WeakPolarHBondContact CA-OD1 3.46Å; E490-G542 CarbonylContact O-C 3.5Å; E490-G542 VanDerWaalsContact O-CA 3.24Å; E490-G542 WeakPolarHBondContact O-CA 3.25Å; E490-R543 HydrophobicContact CB-CB 4.21Å; E490-R543 PolarHBondContact N-O 3.43Å; E490-R543 PolarHBondContact O-N 3.28Å
491	N	92.3	Very high	88.3	Confident	90 Å²	90	44.9 Å²	44.9	48%	0.481	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.2	41	-179.4	-58.2	-49.1	0	0	0	113.8	P493 L506 N507 G542	N491-P493 WeakPolarHBondContact O-CD 3.39Å; N491-L506 PolarHBondContact N-O 2.92Å; N491-N507 PolarHBondContact N-OD1 3.43Å; N491-N507 PolarHBondContact OD1-ND2 3Å; N491-N507 PolarHBondContact OD1-OD1 2.95Å; N491-G542 WeakPolarHBondContact O-CA 3.45Å
492	V	93.1	Very high	88.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.6	-178.3	174.7	0	0	0	0	110	C489 E490 L506 I532 V539 R543	C489-V492 HydrophobicContact CB-CB 4.22Å; C489-V492 HydrophobicContact CB-CG2 3.96Å; E490-V492 VanDerWaalsContact C-N 3.26Å; E490-V492 PolarHBondContact O-N 3.19Å; V492-L506 PolarHBondContact N-O 3.24Å; V492-L506 VanDerWaalsContact O-CB 3.28Å; V492-L506 WeakPolarHBondContact O-CB 3.34Å; V492-L506 PolarHBondContact O-N 2.95Å; V492-I532 HydrophobicContact CG1-CG2 4.49Å; V492-V539 HydrophobicContact CG1-CG1 4.12Å; V492-V539 HydrophobicContact CG2-CG1 4.38Å; V492-R543 VanDerWaalsContact CG2-O 3.27Å; V492-R543 WeakPolarHBondContact CG2-O 3.35Å
493	P	92.1	Very high	88.1	Confident	17 Å²	17	37.9 Å²	37.9	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.2	172.8	31.9	-30.3	0	0	0	110.6	N491 I495 V503 S504 G541	N491-P493 WeakPolarHBondContact O-CD 3.39Å; P493-I495 HydrophobicContact CB-CD1 4.19Å; P493-I495 HydrophobicContact CB-CG1 3.97Å; P493-I495 HydrophobicContact CG-CD1 4.19Å; P493-I495 HydrophobicContact CG-CG1 4.33Å; P493-V503 CarbonylContact C-O 3.59Å; P493-V503 WeakPolarHBondContact CA-O 3.43Å; P493-S504 WeakPolarHBondContact CB-O 3.22Å; P493-G541 WeakPolarHBondContact CD-O 3.14Å
494	I	91	Very high	87.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	103.1	169	-56.1	-178.9	0	0	0	107.8	V502 V503 L506 L529 I532 F686	I494-V502 HydrophobicContact CB-CB 4.49Å; I494-V502 HydrophobicContact CG2-CB 4.25Å; I494-V502 PolarHBondContact O-N 3.3Å; I494-V503 HydrophobicContact CB-CB 3.98Å; I494-V503 HydrophobicContact CB-CG2 4.32Å; I494-V503 HydrophobicContact CD1-CB 4.16Å; I494-V503 HydrophobicContact CD1-CG2 3.97Å; I494-V503 HydrophobicContact CG1-CB 4.04Å; I494-V503 HydrophobicContact CG1-CG2 4.37Å; I494-V503 PolarHBondContact N-O 3.19Å; I494-V503 PolarHBondContact O-N 3Å; I494-L506 HydrophobicContact CD1-CD2 4.37Å; I494-L529 HydrophobicContact CD1-CB 4Å; I494-L529 HydrophobicContact CD1-CD1 4.43Å; I494-I532 HydrophobicContact CB-CD1 4.3Å; I494-I532 HydrophobicContact CG1-CD1 4.05Å; I494-I532 HydrophobicContact CG2-CD1 4.13Å; I494-F686 HydrophobicContact CD1-CE1 4.37Å; I494-F686 HydrophobicContact CD1-CZ 4.44Å
495	I	89.1	Confident	88	Confident	11 Å²	11	36.1 Å²	36.1	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.7	179.7	-46.1	-177.1	0	0	0	108.6	I470 L474 P493 D500 V501 Y540	I470-I495 HydrophobicContact CD1-CD1 3.92Å; L474-I495 HydrophobicContact CD2-CG2 4.26Å; P493-I495 HydrophobicContact CB-CD1 4.19Å; P493-I495 HydrophobicContact CB-CG1 3.97Å; P493-I495 HydrophobicContact CG-CD1 4.19Å; P493-I495 HydrophobicContact CG-CG1 4.33Å; I495-D500 CarbonylContact C-O 3.58Å; I495-D500 WeakPolarHBondContact CA-O 3.37Å; I495-V501 HydrophobicContact CD1-CG2 4.45Å; I495-V501 HydrophobicContact CG1-CG2 4.34Å; I495-V501 HydrophobicContact CG2-CG2 4.49Å; I495-Y540 HydrophobicContact CB-CD2 3.7Å; I495-Y540 HydrophobicContact CB-CE2 4.06Å; I495-Y540 HydrophobicContact CD1-CD2 4.11Å; I495-Y540 HydrophobicContact CD1-CG 4.1Å; I495-Y540 HydrophobicContact CG1-CD2 4.13Å; I495-Y540 HydrophobicContact CG2-CD2 4.49Å
496	T	86.1	Confident	88.3	Confident	21 Å²	21	28 Å²	28	13%	0.129	17%	0.166	C	C	.	.			trans	-69.6	156.5	175	72.9	0	0	0	0	110.6	N498 G499 D500 V502	T496-N498 PolarHBondContact O-N 2.69Å; T496-N498 PolarHBondContact OG1-N 3.41Å; T496-G499 PolarHBondContact O-N 2.92Å; T496-D500 HydrophobicContact CG2-CB 4.1Å; T496-D500 PolarHBondContact N-O 3.42Å; T496-D500 WeakPolarHBondContact OG1-CB 3.41Å; T496-D500 PolarHBondContact OG1-N 2.96Å; T496-D500 VanDerWaalsContact OG1-N 3.15Å; T496-D500 PolarHBondContact OG1-OD2 2.99Å; T496-V502 HydrophobicContact CG2-CG2 3.47Å; T496-V502 VanDerWaalsContact CG2-CG2 3.47Å
497	P	78.1	Confident	88.6	Confident	19 Å²	19	30.6 Å²	30.6	12%	0.123	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-11.5	169.8	-25.1	33.3	0	0	0	114.3	M201 W537	M201-P497 HydrophobicContact CG-CB 4.48Å; M201-P497 HydrophobicContact CG-CG 4.35Å; P497-W537 HydrophobicContact CG-CD2 4.17Å; P497-W537 HydrophobicContact CG-CH2 4.18Å; P497-W537 HydrophobicContact CG-CZ2 3.63Å
498	N	75.4	Confident	88.5	Confident	76 Å²	76	30.9 Å²	30.9	41%	0.406	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.2	174.1	-65.3	-17	0	0	0	112.6	R451 H469 T496	R451-N498 PolarHBondContact NE-OD1 3.09Å; R451-N498 PolarHBondContact NH1-OD1 3.34Å; R451-N498 VanDerWaalsContact NH1-OD1 3.13Å; H469-N498 PolarHBondContact CE1-O 3.01Å; T496-N498 PolarHBondContact O-N 2.69Å; T496-N498 PolarHBondContact OG1-N 3.41Å
499	G	77.4	Confident	88.5	Confident	2 Å²	2	34.7 Å²	34.7	2%	0.021	19%	0.192	C	C	.	.	S	Bend	trans	93.1	4.8	-176.6	0	0	0	0	0	114.5	I470 T496	I470-G499 PolarHBondContact N-O 2.82Å; T496-G499 PolarHBondContact O-N 2.92Å
500	D	83.7	Confident	88.4	Confident	40 Å²	40	34.6 Å²	34.6	21%	0.214	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-77.8	123.6	176.4	-51.3	-52.4	0	0	0	110.1	P466 H469 I495 T496 V502	P466-D500 HydrophobicContact CG-CB 3.87Å; H469-D500 IonicContact CE1-OD1 3.71Å; H469-D500 PolarHBondContact CE1-OD1 3.05Å; H469-D500 IonicContact CG-OD1 3.72Å; H469-D500 IonicContact ND1-OD1 2.99Å; H469-D500 PolarHBondContact ND1-OD1 3.33Å; I495-D500 CarbonylContact C-O 3.58Å; I495-D500 WeakPolarHBondContact CA-O 3.37Å; T496-D500 HydrophobicContact CG2-CB 4.1Å; T496-D500 PolarHBondContact N-O 3.42Å; T496-D500 WeakPolarHBondContact OG1-CB 3.41Å; T496-D500 PolarHBondContact OG1-N 2.96Å; T496-D500 VanDerWaalsContact OG1-N 3.15Å; T496-D500 PolarHBondContact OG1-OD2 2.99Å; D500-V502 PolarHBondContact O-N 3Å
501	V	86.1	Confident	88.2	Confident	21 Å²	21	34.9 Å²	34.9	13%	0.127	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	110.4	172.3	-176.2	0	0	0	0	108	M468 I470 I495	M468-V501 HydrophobicContact CB-CB 3.99Å; M468-V501 HydrophobicContact CB-CG2 4.07Å; M468-V501 WeakPolarHBondContact O-CB 3.33Å; M468-V501 PolarHBondContact O-N 2.93Å; I470-V501 HydrophobicContact CD1-CG2 4.1Å; I470-V501 HydrophobicContact CG1-CG2 4.16Å; I495-V501 HydrophobicContact CD1-CG2 4.45Å; I495-V501 HydrophobicContact CG1-CG2 4.34Å; I495-V501 HydrophobicContact CG2-CG2 4.49Å
502	V	88.1	Confident	88	Confident	29 Å²	29	34 Å²	34	18%	0.176	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-39.9	179.4	-172.2	0	0	0	0	110.7	I494 T496 D500 C524 G690	I494-V502 HydrophobicContact CB-CB 4.49Å; I494-V502 HydrophobicContact CG2-CB 4.25Å; I494-V502 PolarHBondContact O-N 3.3Å; T496-V502 HydrophobicContact CG2-CG2 3.47Å; T496-V502 VanDerWaalsContact CG2-CG2 3.47Å; D500-V502 PolarHBondContact O-N 3Å; V502-C524 VanDerWaalsContact CG1-O 3.26Å; V502-C524 WeakPolarHBondContact CG1-O 3.4Å; V502-G690 WeakPolarHBondContact O-CA 3.3Å
503	V	89.1	Confident	87.6	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	126.4	175.2	179.4	0	0	0	0	107.5	P493 I494 L506 F686	P493-V503 CarbonylContact C-O 3.59Å; P493-V503 WeakPolarHBondContact CA-O 3.43Å; I494-V503 HydrophobicContact CB-CB 3.98Å; I494-V503 HydrophobicContact CB-CG2 4.32Å; I494-V503 HydrophobicContact CD1-CB 4.16Å; I494-V503 HydrophobicContact CD1-CG2 3.97Å; I494-V503 HydrophobicContact CG1-CB 4.04Å; I494-V503 HydrophobicContact CG1-CG2 4.37Å; I494-V503 PolarHBondContact N-O 3.19Å; I494-V503 PolarHBondContact O-N 3Å; V503-L506 HydrophobicContact CG1-CB 4.31Å; V503-F686 HydrophobicContact CG2-CD1 4.05Å; V503-F686 HydrophobicContact CG2-CE1 3.85Å
504	S	85.5	Confident	87.6	Confident	76 Å²	76	37.5 Å²	37.5	53%	0.531	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-42.8	-174.2	54	0	0	0	0	112.7	P493	P493-S504 WeakPolarHBondContact CB-O 3.22Å
505	C	89.1	Confident	87.7	Confident	59 Å²	59	38.4 Å²	38.4	40%	0.399	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	111.4	-179.7	-74.9	0	0	0	0	109.9	W692	C505-W692 PolarHBondContact O-NE1 3.35Å
506	L	92.5	Very high	88	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.2	174	-176.7	67.7	0	0	0	110.4	N491 V492 I494 V503 L508 L529 L684 W692	N491-L506 PolarHBondContact N-O 2.92Å; V492-L506 PolarHBondContact N-O 3.24Å; V492-L506 VanDerWaalsContact O-CB 3.28Å; V492-L506 WeakPolarHBondContact O-CB 3.34Å; V492-L506 PolarHBondContact O-N 2.95Å; I494-L506 HydrophobicContact CD1-CD2 4.37Å; V503-L506 HydrophobicContact CG1-CB 4.31Å; L506-L508 HydrophobicContact CG-CB 4.47Å; L506-L529 HydrophobicContact CD2-CD1 3.54Å; L506-L529 HydrophobicContact CD2-CD2 4.12Å; L506-L529 HydrophobicContact CD2-CG 4.45Å; L506-L684 HydrophobicContact CD1-CD1 4.38Å; L506-W692 HydrophobicContact CD1-CB 4.47Å; L506-W692 HydrophobicContact CD1-CD2 3.69Å; L506-W692 HydrophobicContact CD1-CE3 4.16Å; L506-W692 HydrophobicContact CD1-CG 3.79Å
507	N	93.5	Very high	88.4	Confident	64 Å²	64	37 Å²	37	34%	0.342	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.6	170.2	-70.1	-67	0	0	0	109	C489 E490 N491 W692	C489-N507 VanDerWaalsContact O-CA 3.27Å; C489-N507 WeakPolarHBondContact O-CA 3.46Å; E490-N507 WeakPolarHBondContact CA-OD1 3.46Å; N491-N507 PolarHBondContact N-OD1 3.43Å; N491-N507 PolarHBondContact OD1-ND2 3Å; N491-N507 PolarHBondContact OD1-OD1 2.95Å; N507-W692 HydrophobicContact CB-CH2 3.8Å; N507-W692 HydrophobicContact CB-CZ2 3.89Å; N507-W692 WeakPolarHBondContact O-CH2 3.42Å; N507-W692 VanDerWaalsContact O-CZ3 3.22Å; N507-W692 WeakPolarHBondContact O-CZ3 3.33Å
508	L	93.8	Very high	89.2	Confident	7 Å²	7	36.2 Å²	36.2	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	138.5	-174.3	176.3	67	0	0	0	109.4	V488 C489 L506 V510 L516 L684 F694	V488-L508 CarbonylContact C-O 3.51Å; V488-L508 VanDerWaalsContact CA-O 3.27Å; V488-L508 WeakPolarHBondContact CA-O 3.44Å; C489-L508 HydrophobicContact CB-CB 4.09Å; C489-L508 PolarHBondContact N-O 3.37Å; C489-L508 PolarHBondContact O-N 3.49Å; L506-L508 HydrophobicContact CG-CB 4.47Å; L508-V510 HydrophobicContact CD1-CG2 4.11Å; L508-V510 HydrophobicContact CD2-CG2 4.06Å; L508-V510 HydrophobicContact CG-CG2 3.95Å; L508-L516 HydrophobicContact CD1-CD2 4.16Å; L508-L516 HydrophobicContact CD2-CD2 4.13Å; L508-L684 HydrophobicContact CD2-CD2 4.3Å; L508-F694 HydrophobicContact CD1-CD2 3.54Å; L508-F694 HydrophobicContact CD1-CE2 3.47Å; L508-F694 VanDerWaalsContact CD1-CE2 3.47Å; L508-F694 HydrophobicContact CD1-CG 4.27Å; L508-F694 HydrophobicContact CD1-CZ 4.17Å
509	K	93.8	Very high	89.9	Confident	113 Å²	113	33.6 Å²	33.6	49%	0.491	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.8	172	-169.5	-174.1	-173.4	-155.4	0	109.3	I487 V488 E511	I487-K509 CarbonylContact O-C 3.6Å; I487-K509 WeakPolarHBondContact O-CA 3.22Å; V488-K509 HydrophobicContact CG2-CG 4.1Å; K509-E511 VanDerWaalsContact CE-OE1 3.23Å; K509-E511 WeakPolarHBondContact CE-OE1 3.4Å; K509-E511 IonicContact NZ-OE1 3.54Å; K509-E511 PolarHBondContact NZ-OE1 3.32Å
510	V	92.9	Very high	90.5	Very high	2 Å²	2	34 Å²	34	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.8	177.2	-173.6	0	0	0	0	108.5	G486 I487 L508 M514 L516 Y638 L668	G486-V510 CarbonylContact C-O 3.52Å; G486-V510 WeakPolarHBondContact CA-O 3.14Å; I487-V510 HydrophobicContact CB-CB 4.27Å; I487-V510 PolarHBondContact N-O 2.88Å; I487-V510 PolarHBondContact O-N 3.31Å; L508-V510 HydrophobicContact CD1-CG2 4.11Å; L508-V510 HydrophobicContact CD2-CG2 4.06Å; L508-V510 HydrophobicContact CG-CG2 3.95Å; V510-M514 HydrophobicContact CG1-CB 4.09Å; V510-L516 HydrophobicContact CG2-CD2 3.9Å; V510-Y638 HydrophobicContact CG1-CE1 4.49Å; V510-L668 HydrophobicContact CG1-CD1 4.27Å
511	E	90.4	Very high	90.7	Very high	84 Å²	84	35.2 Å²	35.2	39%	0.393	21%	0.206	S	C	.	.			trans	-93.7	166.5	178.9	-57.2	-176.4	170.2	0	0	111.3	K509 G513 M514	K509-E511 VanDerWaalsContact CE-OE1 3.23Å; K509-E511 WeakPolarHBondContact CE-OE1 3.4Å; K509-E511 IonicContact NZ-OE1 3.54Å; K509-E511 PolarHBondContact NZ-OE1 3.32Å; E511-G513 PolarHBondContact O-N 3.33Å; E511-M514 HydrophobicContact CB-CE 3.91Å; E511-M514 HydrophobicContact CB-CG 4.04Å; E511-M514 HydrophobicContact CB-SD 3.75Å; E511-M514 HydrophobicContact CG-CE 3.86Å; E511-M514 HydrophobicContact CG-SD 3.97Å; E511-M514 PolarHBondContact N-SD 3.32Å; E511-M514 WeakPolarHBondContact O-CB 3.36Å; E511-M514 PolarHBondContact O-N 3.5Å; E511-M514 VanDerWaalsContact O-N 3.17Å
512	E	86.1	Confident	90.8	Very high	73 Å²	73	40.8 Å²	40.8	34%	0.341	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	133.8	173.4	-71.5	-178.2	159.5	0	0	109.9	R485 M514 K637 Y638	R485-E512 HydrophobicContact CB-CG 4.35Å; R485-E512 WeakPolarHBondContact CD-OE2 3.32Å; R485-E512 VanDerWaalsContact CG-OE1 3.31Å; R485-E512 WeakPolarHBondContact CG-OE1 3.35Å; R485-E512 IonicContact CZ-OE2 2.68Å; R485-E512 IonicContact NE-OE1 3.43Å; R485-E512 IonicContact NE-OE2 3.29Å; R485-E512 IonicContact NH1-OE2 3.95Å; R485-E512 PolarHBondContact NH1-OE2 2.82Å; E512-M514 VanDerWaalsContact C-N 3.26Å; E512-M514 PolarHBondContact O-N 3.05Å; E512-K637 IonicContact OE1-NZ 2.73Å; E512-K637 PolarHBondContact OE1-NZ 3.46Å; E512-Y638 HydrophobicContact CG-CE2 4.39Å; E512-Y638 WeakPolarHBondContact CG-OH 3.45Å; E512-Y638 PolarHBondContact N-OH 2.77Å
513	G	85.1	Confident	90.5	Very high	47 Å²	47	43 Å²	43	49%	0.485	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-8.7	-175.9	0	0	0	0	0	114.5	E511 H515 S666	E511-G513 PolarHBondContact O-N 3.33Å; G513-H515 PolarHBondContact O-CD2 3.43Å; G513-H515 PolarHBondContact O-N 3.2Å; G513-S666 PolarHBondContact N-OG 3Å
514	M	91.9	Very high	90.4	Very high	42 Å²	42	43.2 Å²	43.2	21%	0.207	27%	0.265	C	S	.	.			trans	-77	123.4	169.8	-67.2	-173.9	172.1	0	0	110.2	V510 E511 E512	V510-M514 HydrophobicContact CG1-CB 4.09Å; E511-M514 HydrophobicContact CB-CE 3.91Å; E511-M514 HydrophobicContact CB-CG 4.04Å; E511-M514 HydrophobicContact CB-SD 3.75Å; E511-M514 HydrophobicContact CG-CE 3.86Å; E511-M514 HydrophobicContact CG-SD 3.97Å; E511-M514 PolarHBondContact N-SD 3.32Å; E511-M514 WeakPolarHBondContact O-CB 3.36Å; E511-M514 PolarHBondContact O-N 3.5Å; E511-M514 VanDerWaalsContact O-N 3.17Å; E512-M514 VanDerWaalsContact C-N 3.26Å; E512-M514 PolarHBondContact O-N 3.05Å
515	H	94.3	Very high	90.5	Very high	20 Å²	20	39.9 Å²	39.9	9%	0.093	24%	0.243	C	C	.	.			trans	-100.9	113.8	173.2	-55.3	-75.6	0	0	0	108.9	G513 K661 I665 L667 H680 T681 H682	G513-H515 PolarHBondContact O-CD2 3.43Å; G513-H515 PolarHBondContact O-N 3.2Å; H515-K661 WeakPolarHBondContact NE2-CE 3.3Å; H515-I665 PolarHBondContact CE1-O 3.28Å; H515-L667 CarbonylContact C-O 3.46Å; H515-L667 WeakPolarHBondContact CA-O 3.36Å; H515-L667 PolarHBondContact ND1-N 3.14Å; H515-H680 HydrophobicContact CB-CB 4.48Å; H515-T681 PolarHBondContact N-OG1 2.92Å; H515-T681 PolarHBondContact O-N 3.04Å; H515-T681 PolarHBondContact O-OG1 3.26Å; H515-H682 PolarHBondContact O-N 2.96Å
516	L	94.9	Very high	90.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.8	-174.7	-178.5	61.5	0	0	0	111.1	L508 V510 I518 L667 L668 S669 H680 H682 L684 F694	L508-L516 HydrophobicContact CD1-CD2 4.16Å; L508-L516 HydrophobicContact CD2-CD2 4.13Å; V510-L516 HydrophobicContact CG2-CD2 3.9Å; L516-I518 HydrophobicContact CD2-CD1 4.32Å; L516-I518 HydrophobicContact CD2-CG1 4.15Å; L516-I518 HydrophobicContact CG-CG1 4.08Å; L516-L667 PolarHBondContact N-O 2.93Å; L516-L668 HydrophobicContact CB-CG 4.18Å; L516-L668 HydrophobicContact CD2-CD2 4.49Å; L516-L668 WeakPolarHBondContact O-CA 3.46Å; L516-S669 PolarHBondContact O-N 3.31Å; L516-H680 VanDerWaalsContact C-CD2 3.43Å; L516-H680 PolarHBondContact O-CD2 3Å; L516-H682 HydrophobicContact CD1-CB 3.91Å; L516-L684 HydrophobicContact CD1-CB 3.95Å; L516-L684 HydrophobicContact CD2-CB 4.44Å; L516-L684 HydrophobicContact CG-CB 4.45Å; L516-F694 HydrophobicContact CD1-CD2 4.26Å; L516-F694 HydrophobicContact CD1-CE2 3.75Å
517	L	94.3	Very high	90.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132	168.9	-180	65.1	0	0	0	109.4	T519 T671 W677 H680 H682 L683 L684 L697	L517-T519 HydrophobicContact CD1-CG2 4.34Å; L517-T519 HydrophobicContact CD2-CG2 4.02Å; L517-T519 HydrophobicContact CG-CG2 3.84Å; L517-T671 HydrophobicContact CD1-CG2 3.33Å; L517-W677 HydrophobicContact CD2-CD2 4.48Å; L517-W677 HydrophobicContact CD2-CG 3.89Å; L517-H680 HydrophobicContact CB-CB 3.77Å; L517-H682 PolarHBondContact N-O 3.5Å; L517-L683 HydrophobicContact CB-CD1 4.21Å; L517-L683 HydrophobicContact CD2-CD1 3.96Å; L517-L683 HydrophobicContact CG-CD1 3.99Å; L517-L683 CarbonylContact O-C 3.51Å; L517-L683 WeakPolarHBondContact O-CA 3.26Å; L517-L684 PolarHBondContact O-N 2.88Å; L517-L697 HydrophobicContact CD2-CD2 4.16Å
518	I	94.6	Very high	90.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.3	178.7	-55.5	175.5	0	0	0	109.2	L516 K526 L529 F530 S669 I670 L684 F686	L516-I518 HydrophobicContact CD2-CD1 4.32Å; L516-I518 HydrophobicContact CD2-CG1 4.15Å; L516-I518 HydrophobicContact CG-CG1 4.08Å; I518-K526 HydrophobicContact CG2-CB 4.26Å; I518-K526 HydrophobicContact CG2-CD 4.29Å; I518-K526 HydrophobicContact CG2-CG 4.18Å; I518-L529 HydrophobicContact CD1-CD2 4.23Å; I518-F530 HydrophobicContact CD1-CD1 4.38Å; I518-F530 HydrophobicContact CD1-CE1 3.42Å; I518-F530 VanDerWaalsContact CD1-CE1 3.42Å; I518-F530 HydrophobicContact CD1-CZ 3.77Å; I518-S669 PolarHBondContact N-O 3.11Å; I518-I670 HydrophobicContact CB-CG1 3.91Å; I518-I670 HydrophobicContact CD1-CG1 4.21Å; I518-I670 HydrophobicContact CG2-CG1 4.13Å; I518-L684 WeakPolarHBondContact CA-O 3.18Å; I518-L684 HydrophobicContact CG1-CB 4.32Å; I518-L684 HydrophobicContact CG1-CD2 4.35Å; I518-L684 HydrophobicContact CG2-CD2 4.5Å; I518-F686 HydrophobicContact CG2-CD2 4.04Å; I518-F686 HydrophobicContact CG2-CE2 3.66Å
519	T	91.7	Very high	90.6	Very high	21 Å²	21	36.2 Å²	36.2	13%	0.129	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	164	-179.2	76.2	0	0	0	0	111.7	L517 L683 L684 Q685 F686	L517-T519 HydrophobicContact CD1-CG2 4.34Å; L517-T519 HydrophobicContact CD2-CG2 4.02Å; L517-T519 HydrophobicContact CG-CG2 3.84Å; T519-L683 HydrophobicContact CG2-CD1 3.69Å; T519-L684 PolarHBondContact N-O 3.24Å; T519-Q685 WeakPolarHBondContact O-CA 3.43Å; T519-F686 PolarHBondContact O-N 2.94Å
520	G	90	Very high	90.6	Very high	10 Å²	10	30.8 Å²	30.8	10%	0.103	20%	0.198	C	C	.	.			trans	148.3	170.7	177.9	0	0	0	0	0	111.9	K526 H672 F686	G520-K526 PolarHBondContact O-NZ 3Å; G520-H672 PolarHBondContact O-CE1 3.4Å; G520-F686 VanDerWaalsContact CA-O 3.31Å; G520-F686 WeakPolarHBondContact CA-O 3.01Å
521	P	87.8	Confident	90.6	Very high	66 Å²	66	34.5 Å²	34.5	43%	0.429	21%	0.212	S	C	.	.			trans	-58.6	165.7	-178.2	-24.6	34.7	0	0	0	114.5	C524 K526 F686	P521-C524 PolarHBondContact O-SG 3.48Å; P521-K526 PolarHBondContact O-NZ 3.19Å; P521-F686 VanDerWaalsContact CD-O 3.27Å; P521-F686 WeakPolarHBondContact CD-O 3.32Å
522	N	87.2	Confident	90.7	Very high	138 Å²	138	30.7 Å²	30.7	74%	0.738	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	136.2	174.3	-70.8	-11.9	0	0	0	110.2
523	G	82.5	Confident	90.9	Very high	75 Å²	75	27.3 Å²	27.3	77%	0.773	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	0.1	179	0	0	0	0	0	116	G525	G523-G525 PolarHBondContact O-N 2.93Å; G523-G525 VanDerWaalsContact O-N 3.16Å
524	C	86.8	Confident	91.1	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.041	17%	0.166	C	C	.	.	S	Bend	trans	-76.5	7.2	179.7	69	0	0	0	0	115.4	V502 P521 K526 F686	V502-C524 VanDerWaalsContact CG1-O 3.26Å; V502-C524 WeakPolarHBondContact CG1-O 3.4Å; P521-C524 PolarHBondContact O-SG 3.48Å; C524-K526 WeakPolarHBondContact SG-CG 3.46Å; C524-F686 HydrophobicContact CB-CB 4Å; C524-F686 WeakPolarHBondContact SG-CB 3.26Å
525	G	87.3	Confident	91	Very high	6 Å²	6	25.7 Å²	25.7	6%	0.062	17%	0.168	C	C	.	.	S	Bend	trans	95.1	9.4	174.9	0	0	0	0	0	116.8	G523 S527 S528 L529	G523-G525 PolarHBondContact O-N 2.93Å; G523-G525 VanDerWaalsContact O-N 3.16Å; G525-S527 PolarHBondContact O-N 3.2Å; G525-S528 CarbonylContact O-C 3.45Å; G525-S528 WeakPolarHBondContact O-CA 2.85Å; G525-S528 VanDerWaalsContact O-CB 3.27Å; G525-S528 WeakPolarHBondContact O-CB 3.37Å; G525-S528 PolarHBondContact O-N 3.21Å; G525-L529 PolarHBondContact O-N 2.91Å
526	K	91.9	Very high	90.7	Very high	10 Å²	10	26 Å²	26	4%	0.043	17%	0.17	C	C	.	.	H	α-helix	trans	-52.3	-57.6	177.4	-50.6	-173.6	-65.7	-89.2	0	113	I518 G520 P521 C524 S528 L529 F530 I670 H672 F686	I518-K526 HydrophobicContact CG2-CB 4.26Å; I518-K526 HydrophobicContact CG2-CD 4.29Å; I518-K526 HydrophobicContact CG2-CG 4.18Å; G520-K526 PolarHBondContact O-NZ 3Å; P521-K526 PolarHBondContact O-NZ 3.19Å; C524-K526 WeakPolarHBondContact SG-CG 3.46Å; K526-S528 PolarHBondContact O-N 3.12Å; K526-L529 WeakPolarHBondContact O-CB 3.47Å; K526-L529 PolarHBondContact O-N 2.99Å; K526-F530 PolarHBondContact O-N 3.27Å; K526-I670 VanDerWaalsContact C-CD1 3.5Å; K526-I670 HydrophobicContact CB-CD1 3.77Å; K526-I670 HydrophobicContact CB-CG1 4.13Å; K526-I670 HydrophobicContact CB-CG2 4.05Å; K526-I670 HydrophobicContact CD-CG2 3.93Å; K526-I670 WeakPolarHBondContact O-CD1 3.38Å; K526-H672 PolarHBondContact NZ-NE2 3.39Å; K526-F686 HydrophobicContact CG-CD2 3.96Å; K526-F686 HydrophobicContact CG-CE2 4.33Å
527	S	92.1	Very high	90.5	Very high	29 Å²	29	26.8 Å²	26.8	20%	0.203	17%	0.173	C	C	.	.	H	α-helix	trans	-69.5	-23.1	178	-45.5	0	0	0	0	112.2	G525 F530 R531 D642	G525-S527 PolarHBondContact O-N 3.2Å; S527-F530 PolarHBondContact O-N 3.46Å; S527-R531 WeakPolarHBondContact O-CG 3.5Å; S527-R531 PolarHBondContact O-N 3.34Å; S527-D642 WeakPolarHBondContact CB-OD2 3.5Å; S527-D642 PolarHBondContact OG-OD1 3Å; S527-D642 VanDerWaalsContact OG-OD1 3.07Å; S527-D642 PolarHBondContact OG-OD2 3.08Å
528	S	92.6	Very high	90.3	Very high	13 Å²	13	27.7 Å²	27.7	9%	0.091	18%	0.179	C	C	.	.	H	α-helix	trans	-68	-38.6	173.1	-58.8	0	0	0	0	111.7	G525 K526 F530 R531 I532 W537	G525-S528 CarbonylContact O-C 3.45Å; G525-S528 WeakPolarHBondContact O-CA 2.85Å; G525-S528 VanDerWaalsContact O-CB 3.27Å; G525-S528 WeakPolarHBondContact O-CB 3.37Å; G525-S528 PolarHBondContact O-N 3.21Å; K526-S528 PolarHBondContact O-N 3.12Å; S528-F530 VanDerWaalsContact C-N 3.33Å; S528-F530 PolarHBondContact O-N 3.1Å; S528-R531 WeakPolarHBondContact O-CB 3.48Å; S528-R531 PolarHBondContact O-N 2.97Å; S528-I532 WeakPolarHBondContact O-CG1 3.48Å; S528-I532 PolarHBondContact O-N 3.5Å; S528-W537 VanDerWaalsContact CB-CZ3 3.42Å; S528-W537 VanDerWaalsContact OG-CH2 3.3Å; S528-W537 WeakPolarHBondContact OG-CH2 3.35Å; S528-W537 WeakPolarHBondContact OG-CZ3 3.38Å
529	L	93.6	Very high	90.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-57.2	-47.1	171.4	176.1	59.9	0	0	0	110.6	I494 L506 I518 G525 K526 R531 I532 L533 L684 F686	I494-L529 HydrophobicContact CD1-CB 4Å; I494-L529 HydrophobicContact CD1-CD1 4.43Å; L506-L529 HydrophobicContact CD2-CD1 3.54Å; L506-L529 HydrophobicContact CD2-CD2 4.12Å; L506-L529 HydrophobicContact CD2-CG 4.45Å; I518-L529 HydrophobicContact CD1-CD2 4.23Å; G525-L529 PolarHBondContact O-N 2.91Å; K526-L529 WeakPolarHBondContact O-CB 3.47Å; K526-L529 PolarHBondContact O-N 2.99Å; L529-R531 VanDerWaalsContact C-N 3.3Å; L529-R531 PolarHBondContact O-N 3.26Å; L529-I532 WeakPolarHBondContact O-CB 3.49Å; L529-I532 PolarHBondContact O-N 3.08Å; L529-I532 VanDerWaalsContact O-N 3.09Å; L529-L533 HydrophobicContact CD1-CD1 4.37Å; L529-L533 HydrophobicContact CD1-CG 4.19Å; L529-L533 HydrophobicContact CG-CD1 4.21Å; L529-L533 HydrophobicContact CG-CG 4.42Å; L529-L533 WeakPolarHBondContact O-CG 3.37Å; L529-L533 PolarHBondContact O-N 2.96Å; L529-L684 HydrophobicContact CD2-CD2 3.91Å; L529-F686 HydrophobicContact CD2-CZ 4.24Å
530	F	94.1	Very high	89.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-33.5	176.8	-76	-0.2	0	0	0	113.5	I518 K526 S527 S528 I532 L533 S534 Y554 L640 D642 L668 I670	I518-F530 HydrophobicContact CD1-CD1 4.38Å; I518-F530 HydrophobicContact CD1-CE1 3.42Å; I518-F530 VanDerWaalsContact CD1-CE1 3.42Å; I518-F530 HydrophobicContact CD1-CZ 3.77Å; K526-F530 PolarHBondContact O-N 3.27Å; S527-F530 PolarHBondContact O-N 3.46Å; S528-F530 VanDerWaalsContact C-N 3.33Å; S528-F530 PolarHBondContact O-N 3.1Å; F530-I532 VanDerWaalsContact C-N 3.33Å; F530-L533 HydrophobicContact CD1-CD1 4.2Å; F530-L533 PolarHBondContact O-N 2.76Å; F530-S534 VanDerWaalsContact O-CB 3.31Å; F530-S534 WeakPolarHBondContact O-CB 3.27Å; F530-S534 PolarHBondContact O-N 3.29Å; F530-S534 PolarHBondContact O-OG 3.07Å; F530-Y554 HydrophobicContact CB-CD2 4.48Å; F530-Y554 HydrophobicContact CB-CE2 3.86Å; F530-Y554 HydrophobicContact CD2-CD2 4.45Å; F530-Y554 AromaticContact CD2-CE2 3.8Å; F530-Y554 HydrophobicContact CD2-CE2 3.8Å; F530-Y554 HydrophobicContact CG-CE2 4.24Å; F530-L640 HydrophobicContact CB-CD2 4.44Å; F530-L640 HydrophobicContact CD1-CD2 3.86Å; F530-L640 HydrophobicContact CD1-CG 4.4Å; F530-L640 HydrophobicContact CD2-CB 4.36Å; F530-L640 HydrophobicContact CE1-CB 4.5Å; F530-L640 HydrophobicContact CE1-CD2 4.24Å; F530-L640 HydrophobicContact CE1-CG 4.32Å; F530-L640 HydrophobicContact CE2-CB 4.26Å; F530-L640 HydrophobicContact CG-CD2 4.14Å; F530-L640 HydrophobicContact CZ-CB 4.33Å; F530-D642 HydrophobicContact CD2-CB 3.94Å; F530-D642 HydrophobicContact CE2-CB 4.25Å; F530-L668 HydrophobicContact CE1-CB 4.25Å; F530-L668 HydrophobicContact CZ-CB 4.19Å; F530-L668 VanDerWaalsContact CZ-O 3.3Å; F530-L668 WeakPolarHBondContact CZ-O 3.12Å; F530-I670 HydrophobicContact CD1-CD1 4.3Å; F530-I670 HydrophobicContact CD2-CD1 3.32Å; F530-I670 HydrophobicContact CD2-CG1 4.1Å; F530-I670 HydrophobicContact CE1-CD1 4.28Å; F530-I670 HydrophobicContact CE1-CG1 4.38Å; F530-I670 HydrophobicContact CE2-CB 4.34Å; F530-I670 HydrophobicContact CE2-CD1 3.29Å; F530-I670 HydrophobicContact CE2-CG1 3.52Å; F530-I670 HydrophobicContact CG-CD1 3.89Å; F530-I670 HydrophobicContact CZ-CD1 3.81Å; F530-I670 HydrophobicContact CZ-CG1 3.68Å
531	R	92.8	Very high	89.8	Confident	79 Å²	79	28 Å²	28	30%	0.298	18%	0.18	S	C	.	.	H	α-helix	trans	-65.6	-35.4	172.3	-69.6	172.1	-169.4	141.5	2.2	112.4	S527 S528 L529 S534 G535 L536 W537	S527-R531 WeakPolarHBondContact O-CG 3.5Å; S527-R531 PolarHBondContact O-N 3.34Å; S528-R531 WeakPolarHBondContact O-CB 3.48Å; S528-R531 PolarHBondContact O-N 2.97Å; L529-R531 VanDerWaalsContact C-N 3.3Å; L529-R531 PolarHBondContact O-N 3.26Å; R531-S534 WeakPolarHBondContact CA-OG 3.44Å; R531-S534 PolarHBondContact O-OG 3.13Å; R531-G535 PolarHBondContact O-N 3.44Å; R531-L536 HydrophobicContact CB-CB 4.18Å; R531-L536 HydrophobicContact CG-CD1 4.19Å; R531-L536 WeakPolarHBondContact O-CB 3.15Å; R531-L536 PolarHBondContact O-N 3.4Å; R531-W537 HydrophobicContact CB-CB 4.29Å; R531-W537 HydrophobicContact CB-CD2 3.98Å; R531-W537 HydrophobicContact CB-CG 3.81Å; R531-W537 VanDerWaalsContact CD-CE2 3.46Å; R531-W537 PolarHBondContact O-N 3.38Å
532	I	92.4	Very high	90	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-69.6	-49.3	174.5	-65.1	167.1	0	0	0	110.2	V492 I494 S528 L529 F530 S534 G535 W537 V539 L544	V492-I532 HydrophobicContact CG1-CG2 4.49Å; I494-I532 HydrophobicContact CB-CD1 4.3Å; I494-I532 HydrophobicContact CG1-CD1 4.05Å; I494-I532 HydrophobicContact CG2-CD1 4.13Å; S528-I532 WeakPolarHBondContact O-CG1 3.48Å; S528-I532 PolarHBondContact O-N 3.5Å; L529-I532 WeakPolarHBondContact O-CB 3.49Å; L529-I532 PolarHBondContact O-N 3.08Å; L529-I532 VanDerWaalsContact O-N 3.09Å; F530-I532 VanDerWaalsContact C-N 3.33Å; I532-S534 VanDerWaalsContact C-N 3.32Å; I532-S534 PolarHBondContact O-N 2.97Å; I532-G535 PolarHBondContact O-N 3.39Å; I532-W537 HydrophobicContact CG1-CB 3.92Å; I532-V539 HydrophobicContact CG2-CG2 3.9Å; I532-L544 HydrophobicContact CG2-CD2 4.13Å
533	L	92.1	Very high	90.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-40	179.8	-65.9	-178.7	0	0	0	112.6	I487 L529 F530 G535 L544 K546 L640 L668	I487-L533 HydrophobicContact CG2-CD2 3.71Å; L529-L533 HydrophobicContact CD1-CD1 4.37Å; L529-L533 HydrophobicContact CD1-CG 4.19Å; L529-L533 HydrophobicContact CG-CD1 4.21Å; L529-L533 HydrophobicContact CG-CG 4.42Å; L529-L533 WeakPolarHBondContact O-CG 3.37Å; L529-L533 PolarHBondContact O-N 2.96Å; F530-L533 HydrophobicContact CD1-CD1 4.2Å; F530-L533 PolarHBondContact O-N 2.76Å; L533-G535 PolarHBondContact O-N 3.39Å; L533-L544 HydrophobicContact CD2-CD1 3.69Å; L533-L544 HydrophobicContact CD2-CD2 4.48Å; L533-K546 WeakPolarHBondContact O-CD 3.37Å; L533-K546 PolarHBondContact O-NZ 3.44Å; L533-L640 HydrophobicContact CB-CD2 3.8Å; L533-L640 HydrophobicContact CD1-CD2 3.98Å; L533-L668 HydrophobicContact CD1-CD2 4.36Å
534	S	88.8	Confident	91	Very high	32 Å²	32	21.8 Å²	21.8	22%	0.224	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.6	176.2	56	0	0	0	0	114.3	F530 R531 I532 L536	F530-S534 VanDerWaalsContact O-CB 3.31Å; F530-S534 WeakPolarHBondContact O-CB 3.27Å; F530-S534 PolarHBondContact O-N 3.29Å; F530-S534 PolarHBondContact O-OG 3.07Å; R531-S534 WeakPolarHBondContact CA-OG 3.44Å; R531-S534 PolarHBondContact O-OG 3.13Å; I532-S534 VanDerWaalsContact C-N 3.32Å; I532-S534 PolarHBondContact O-N 2.97Å; S534-L536 VanDerWaalsContact C-N 3.33Å
535	G	88.5	Confident	91.3	Very high	23 Å²	23	23.3 Å²	23.3	24%	0.237	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	8.6	-179.3	0	0	0	0	0	115.3	R531 I532 L533	R531-G535 PolarHBondContact O-N 3.44Å; I532-G535 PolarHBondContact O-N 3.39Å; L533-G535 PolarHBondContact O-N 3.39Å
536	L	89.4	Confident	91.6	Very high	28 Å²	28	24 Å²	24	15%	0.147	13%	0.132	C	C	.	.	S	Bend	trans	-68.7	-40.3	174.1	-68.5	174.8	0	0	0	111.5	Y196 R531 S534	Y196-L536 HydrophobicContact CD1-CB 4.34Å; Y196-L536 HydrophobicContact CD1-CD2 3.96Å; Y196-L536 HydrophobicContact CD2-CD2 4.26Å; Y196-L536 HydrophobicContact CE1-CB 3.85Å; Y196-L536 HydrophobicContact CE1-CD2 4.18Å; Y196-L536 HydrophobicContact CE1-CG 4.46Å; Y196-L536 HydrophobicContact CE2-CD1 4.38Å; Y196-L536 HydrophobicContact CE2-CD2 4.43Å; Y196-L536 HydrophobicContact CG-CD2 4.02Å; R531-L536 HydrophobicContact CB-CB 4.18Å; R531-L536 HydrophobicContact CG-CD1 4.19Å; R531-L536 WeakPolarHBondContact O-CB 3.15Å; R531-L536 PolarHBondContact O-N 3.4Å; S534-L536 VanDerWaalsContact C-N 3.33Å
537	W	90.5	Very high	91.6	Very high	17 Å²	17	23.5 Å²	23.5	6%	0.064	13%	0.129	C	C	.	.	S	Bend	trans	-105.9	136	174.2	-71.2	9.6	0	0	0	109.8	Y196 P497 S528 R531 I532	Y196-W537 PolarHBondContact OH-NE1 3.07Å; P497-W537 HydrophobicContact CG-CD2 4.17Å; P497-W537 HydrophobicContact CG-CH2 4.18Å; P497-W537 HydrophobicContact CG-CZ2 3.63Å; S528-W537 VanDerWaalsContact CB-CZ3 3.42Å; S528-W537 VanDerWaalsContact OG-CH2 3.3Å; S528-W537 WeakPolarHBondContact OG-CH2 3.35Å; S528-W537 WeakPolarHBondContact OG-CZ3 3.38Å; R531-W537 HydrophobicContact CB-CB 4.29Å; R531-W537 HydrophobicContact CB-CD2 3.98Å; R531-W537 HydrophobicContact CB-CG 3.81Å; R531-W537 VanDerWaalsContact CD-CE2 3.46Å; R531-W537 PolarHBondContact O-N 3.38Å; I532-W537 HydrophobicContact CG1-CB 3.92Å
538	P	89	Confident	91.4	Very high	21 Å²	21	24.4 Å²	24.4	14%	0.136	14%	0.135	C	C	.	.			trans	-70.5	155.3	177.6	32.7	-37.8	0	0	0	110.9	M201 Y449 I476 Y540	M201-P538 HydrophobicContact CE-CG 3.87Å; Y449-P538 HydrophobicContact CE2-CG 3.94Å; I476-P538 HydrophobicContact CD1-CB 3.76Å; I476-P538 HydrophobicContact CD1-CG 4.2Å; I476-P538 HydrophobicContact CG1-CB 3.93Å; I476-P538 HydrophobicContact CG1-CG 4.2Å; I476-P538 HydrophobicContact CG2-CB 4.08Å; P538-Y540 HydrophobicContact CG-CE1 3.83Å; P538-Y540 HydrophobicContact CG-CE2 4.1Å; P538-Y540 PolarHBondContact O-N 3.02Å
539	V	90.2	Very high	91.1	Very high	4 Å²	4	28 Å²	28	2%	0.024	16%	0.159	C	C	.	.			trans	-83.9	109.1	173.3	-175.2	0	0	0	0	108.4	I476 G478 V480 V492 I532 G541 L544	I476-V539 WeakPolarHBondContact CG2-O 3.27Å; G478-V539 VanDerWaalsContact CA-O 3.24Å; G478-V539 WeakPolarHBondContact CA-O 3.4Å; G478-V539 PolarHBondContact N-O 2.85Å; V480-V539 HydrophobicContact CG2-CB 4.26Å; V480-V539 HydrophobicContact CG2-CG2 3.64Å; V492-V539 HydrophobicContact CG1-CG1 4.12Å; V492-V539 HydrophobicContact CG2-CG1 4.38Å; I532-V539 HydrophobicContact CG2-CG2 3.9Å; V539-G541 WeakPolarHBondContact CG1-O 3.27Å; V539-L544 HydrophobicContact CG2-CB 4Å; V539-L544 HydrophobicContact CG2-CD2 3.91Å
540	Y	87.5	Confident	90.7	Very high	18 Å²	18	35.9 Å²	35.9	7%	0.071	20%	0.196	C	C	.	.			trans	-77.9	-19.1	-176.9	-67	-71.2	0	0	0	113.9	L474 I476 K477 I495 P538	L474-Y540 HydrophobicContact CB-CD1 3.97Å; L474-Y540 HydrophobicContact CB-CE1 3.41Å; L474-Y540 VanDerWaalsContact CB-CE1 3.41Å; L474-Y540 HydrophobicContact CD1-CE1 4.06Å; L474-Y540 HydrophobicContact CD1-CE2 4.38Å; L474-Y540 HydrophobicContact CG-CE1 4.27Å; I476-Y540 HydrophobicContact CG1-CD1 4.49Å; I476-Y540 HydrophobicContact CG1-CE1 4.38Å; K477-Y540 WeakPolarHBondContact CB-O 3.3Å; K477-Y540 PolarHBondContact N-O 2.86Å; K477-Y540 VanDerWaalsContact N-O 3.16Å; I495-Y540 HydrophobicContact CB-CD2 3.7Å; I495-Y540 HydrophobicContact CB-CE2 4.06Å; I495-Y540 HydrophobicContact CD1-CD2 4.11Å; I495-Y540 HydrophobicContact CD1-CG 4.1Å; I495-Y540 HydrophobicContact CG1-CD2 4.13Å; I495-Y540 HydrophobicContact CG2-CD2 4.49Å; P538-Y540 HydrophobicContact CG-CE1 3.83Å; P538-Y540 HydrophobicContact CG-CE2 4.1Å; P538-Y540 PolarHBondContact O-N 3.02Å
541	G	88.8	Confident	90.5	Very high	16 Å²	16	39 Å²	39	17%	0.165	21%	0.21	C	C	.	.	S	Bend	trans	-165.1	167.3	176.2	0	0	0	0	0	112	P493 V539	P493-G541 WeakPolarHBondContact CD-O 3.14Å; V539-G541 WeakPolarHBondContact CG1-O 3.27Å
542	G	91.9	Very high	90.5	Very high	30 Å²	30	36.4 Å²	36.4	31%	0.309	20%	0.201	S	C	.	.	S	Bend	trans	73.4	-164.8	-176.4	0	0	0	0	0	113.4	G478 E479 E490 N491	G478-G542 VanDerWaalsContact CA-O 3.29Å; G478-G542 WeakPolarHBondContact CA-O 3.39Å; E479-G542 PolarHBondContact N-O 2.94Å; E490-G542 CarbonylContact O-C 3.5Å; E490-G542 VanDerWaalsContact O-CA 3.24Å; E490-G542 WeakPolarHBondContact O-CA 3.25Å; N491-G542 WeakPolarHBondContact O-CA 3.45Å
543	R	94.6	Very high	90.6	Very high	118 Å²	118	37.7 Å²	37.7	45%	0.445	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.1	-179.1	-60.4	-177.1	164.6	157.9	0.7	111.3	E479 E490 V492	E479-R543 HydrophobicContact CB-CG 4.32Å; E479-R543 WeakPolarHBondContact O-CA 3.45Å; E479-R543 IonicContact OE2-CZ 3.55Å; E479-R543 IonicContact OE2-NE 3.7Å; E479-R543 PolarHBondContact OE2-NE 3.34Å; E479-R543 IonicContact OE2-NH2 2.81Å; E479-R543 PolarHBondContact OE2-NH2 3.05Å; E490-R543 HydrophobicContact CB-CB 4.21Å; E490-R543 PolarHBondContact N-O 3.43Å; E490-R543 PolarHBondContact O-N 3.28Å; V492-R543 VanDerWaalsContact CG2-O 3.27Å; V492-R543 WeakPolarHBondContact CG2-O 3.35Å
544	L	95.3	Very high	90.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.9	173.7	175.7	62.4	0	0	0	109.5	E479 V480 I481 I532 L533 V539 K546	E479-L544 PolarHBondContact O-N 2.94Å; V480-L544 CarbonylContact C-O 3.55Å; V480-L544 WeakPolarHBondContact CA-O 3.44Å; I481-L544 PolarHBondContact N-O 3.18Å; I532-L544 HydrophobicContact CG2-CD2 4.13Å; L533-L544 HydrophobicContact CD2-CD1 3.69Å; L533-L544 HydrophobicContact CD2-CD2 4.48Å; V539-L544 HydrophobicContact CG2-CB 4Å; V539-L544 HydrophobicContact CG2-CD2 3.91Å; L544-K546 HydrophobicContact CD2-CD 4.24Å; L544-K546 HydrophobicContact CG-CB 4.43Å; L544-K546 HydrophobicContact CG-CG 4.43Å
545	H	94.4	Very high	90.9	Very high	38 Å²	38	39.1 Å²	39.1	18%	0.176	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.8	166.5	-59.1	-98.9	0	0	0	108.6	I481 V483 I487 V488	I481-H545 WeakPolarHBondContact CD1-CE1 3.23Å; I481-H545 VanDerWaalsContact O-CA 3.31Å; I481-H545 WeakPolarHBondContact O-CA 3.45Å; V483-H545 HydrophobicContact CG1-CB 4Å; V483-H545 HydrophobicContact CG2-CB 4.12Å; I487-H545 WeakPolarHBondContact CA-O 3.24Å; V488-H545 HydrophobicContact CB-CB 3.94Å; V488-H545 HydrophobicContact CG2-CB 4.3Å; V488-H545 PolarHBondContact N-O 3.27Å; V488-H545 PolarHBondContact O-N 2.7Å
546	K	92.6	Very high	91.2	Very high	20 Å²	20	40 Å²	40	9%	0.087	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.5	177.1	64.2	165.4	-170	149	0	112.8	V480 I481 D482 V483 L533 L544	V480-K546 HydrophobicContact CG1-CD 4.44Å; V480-K546 HydrophobicContact CG1-CG 4.27Å; I481-K546 PolarHBondContact O-N 2.94Å; I481-K546 VanDerWaalsContact O-N 3.1Å; D482-K546 WeakPolarHBondContact CA-O 3.18Å; V483-K546 PolarHBondContact N-O 2.86Å; L533-K546 WeakPolarHBondContact O-CD 3.37Å; L533-K546 PolarHBondContact O-NZ 3.44Å; L544-K546 HydrophobicContact CD2-CD 4.24Å; L544-K546 HydrophobicContact CG-CB 4.43Å; L544-K546 HydrophobicContact CG-CG 4.43Å
547	P	91.6	Very high	91.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.			trans	-64.2	157	170.8	-21.3	34.2	0	0	0	114.1	V483 G486 I487 H551 M552 Y638	V483-P547 VanDerWaalsContact O-CA 3.23Å; V483-P547 WeakPolarHBondContact O-CA 3.2Å; G486-P547 WeakPolarHBondContact O-CD 3.24Å; I487-P547 HydrophobicContact CG1-CG 4.43Å; P547-H551 HydrophobicContact CB-CB 4.06Å; P547-M552 HydrophobicContact CB-CG 4.12Å; P547-M552 HydrophobicContact CB-SD 4.27Å; P547-M552 HydrophobicContact CG-CG 4.44Å; P547-M552 HydrophobicContact CG-SD 4.4Å; P547-Y638 HydrophobicContact CG-CD2 3.78Å; P547-Y638 HydrophobicContact CG-CE2 3.62Å
548	S	88.5	Confident	91.1	Very high	47 Å²	47	52.3 Å²	52.3	33%	0.329	26%	0.258	S	S	.	.			trans	-52.1	144.4	167.3	176.3	0	0	0	0	110.5	E550 H551	S548-E550 PolarHBondContact O-N 3.29Å; S548-H551 PolarHBondContact O-N 3.13Å
549	P	85.8	Confident	91.2	Very high	90 Å²	90	52.5 Å²	52.5	58%	0.584	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-51.5	-28.9	178.9	-28.3	35.5	0	0	0	114.9	H551 M552	P549-H551 PolarHBondContact O-N 2.98Å; P549-M552 PolarHBondContact O-N 2.71Å; P549-M552 VanDerWaalsContact O-N 3.16Å
550	E	85.6	Confident	91.3	Very high	166 Å²	166	58.3 Å²	58.3	78%	0.776	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-64.5	-24.1	178	-63.1	177.8	-172.3	0	0	113.4	S548	S548-E550 PolarHBondContact O-N 3.29Å
551	H	90.4	Very high	91.6	Very high	64 Å²	64	58.3 Å²	58.3	30%	0.296	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-94.7	-1.1	178.7	-66.4	-36.8	0	0	0	113.3	P547 S548 P549 K637 Y638	P547-H551 HydrophobicContact CB-CB 4.06Å; S548-H551 PolarHBondContact O-N 3.13Å; P549-H551 PolarHBondContact O-N 2.98Å; H551-K637 HydrophobicContact CB-CB 4.26Å; H551-K637 HydrophobicContact CB-CD 4.13Å; H551-K637 HydrophobicContact CB-CG 4.15Å; H551-K637 PolarHBondContact O-N 3.44Å; H551-Y638 PolarHBondContact O-N 3.07Å
552	M	92.3	Very high	91.7	Very high	25 Å²	25	58.1 Å²	58.1	12%	0.123	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.5	-177	-61.2	-178.8	70.2	0	0	110.5	I487 P547 P549 Y638 L640	I487-M552 HydrophobicContact CD1-CE 3.99Å; P547-M552 HydrophobicContact CB-CG 4.12Å; P547-M552 HydrophobicContact CB-SD 4.27Å; P547-M552 HydrophobicContact CG-CG 4.44Å; P547-M552 HydrophobicContact CG-SD 4.4Å; P549-M552 PolarHBondContact O-N 2.71Å; P549-M552 VanDerWaalsContact O-N 3.16Å; M552-Y638 CarbonylContact C-O 3.59Å; M552-Y638 WeakPolarHBondContact CA-O 3.21Å; M552-L640 HydrophobicContact CE-CD1 3.54Å; M552-L640 HydrophobicContact CE-CD2 4.27Å
553	F	94.4	Very high	91.7	Very high	32 Å²	32	64 Å²	64	14%	0.14	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130	172.2	-157.8	-101.8	0	0	0	110.7	I555 R630 M631 H634 P636 Y638 A639 L640	F553-I555 HydrophobicContact CD1-CG1 4.07Å; F553-I555 HydrophobicContact CE1-CG1 4.24Å; F553-R630 HydrophobicContact CE1-CB 3.79Å; F553-R630 HydrophobicContact CZ-CB 3.64Å; F553-M631 HydrophobicContact CD1-CB 3.89Å; F553-M631 HydrophobicContact CD1-CG 4.43Å; F553-M631 HydrophobicContact CE1-CB 4.3Å; F553-H634 HydrophobicContact CD2-CB 4.03Å; F553-H634 AromaticContact CD2-CD2 3.93Å; F553-H634 HydrophobicContact CE2-CB 4.22Å; F553-H634 AromaticContact CE2-CD2 3.22Å; F553-H634 WeakPolarHBondContact CE2-CD2 3.47Å; F553-H634 AromaticContact CE2-CG 3.8Å; F553-H634 AromaticContact CE2-NE2 3.95Å; F553-H634 AromaticContact CZ-CD2 3.69Å; F553-P636 HydrophobicContact CB-CB 3.74Å; F553-P636 HydrophobicContact CB-CG 3.56Å; F553-Y638 PolarHBondContact N-O 2.87Å; F553-A639 WeakPolarHBondContact O-CA 3.46Å; F553-L640 PolarHBondContact O-N 2.88Å
554	Y	94.2	Very high	91.6	Very high	61 Å²	61	59.3 Å²	59.3	24%	0.239	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.3	-179.7	175.7	-111.1	0	0	0	110.7	F530 P556 L640 D642	F530-Y554 HydrophobicContact CB-CD2 4.48Å; F530-Y554 HydrophobicContact CB-CE2 3.86Å; F530-Y554 HydrophobicContact CD2-CD2 4.45Å; F530-Y554 AromaticContact CD2-CE2 3.8Å; F530-Y554 HydrophobicContact CD2-CE2 3.8Å; F530-Y554 HydrophobicContact CG-CE2 4.24Å; Y554-P556 HydrophobicContact CD1-CB 4.48Å; Y554-P556 HydrophobicContact CE1-CB 3.7Å; Y554-P556 HydrophobicContact CE1-CG 4.46Å; Y554-L640 HydrophobicContact CD2-CB 3.74Å; Y554-D642 HydrophobicContact CE2-CB 4.02Å; Y554-D642 PolarHBondContact OH-OD2 3.39Å
555	I	94.7	Very high	91.6	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.7	172	-51.7	-174.7	0	0	0	108.5	F553 G627 M628 M631 L640 L641 D642 C644	F553-I555 HydrophobicContact CD1-CG1 4.07Å; F553-I555 HydrophobicContact CE1-CG1 4.24Å; I555-G627 WeakPolarHBondContact CD1-O 3.12Å; I555-M628 HydrophobicContact CD1-CG 4.46Å; I555-M628 HydrophobicContact CD1-SD 3.52Å; I555-M628 VanDerWaalsContact CD1-SD 3.52Å; I555-M631 HydrophobicContact CD1-CB 3.97Å; I555-M631 HydrophobicContact CD1-SD 4.34Å; I555-L640 PolarHBondContact N-O 3.22Å; I555-L641 HydrophobicContact CB-CD2 4.09Å; I555-L641 HydrophobicContact CD1-CD2 3.45Å; I555-L641 VanDerWaalsContact CD1-CD2 3.45Å; I555-L641 HydrophobicContact CG1-CD2 3.84Å; I555-D642 PolarHBondContact O-N 2.96Å; I555-D642 VanDerWaalsContact O-N 3.09Å; I555-C644 HydrophobicContact CB-CB 4.3Å; I555-C644 HydrophobicContact CG2-CB 3.63Å
556	P	92.8	Very high	91.6	Very high	42 Å²	42	57.8 Å²	57.8	27%	0.273	28%	0.282	S	S	.	.			trans	-72.9	158	178.9	29.6	-34.5	0	0	0	112.1	Y554 R558	Y554-P556 HydrophobicContact CD1-CB 4.48Å; Y554-P556 HydrophobicContact CE1-CB 3.7Å; Y554-P556 HydrophobicContact CE1-CG 4.46Å; P556-R558 PolarHBondContact O-N 2.94Å
557	Q	90.7	Very high	91.7	Very high	88 Å²	88	58.1 Å²	58.1	41%	0.411	28%	0.283	S	S	.	.	S	Bend	trans	-54.5	-35.2	172.9	-174.7	-173.9	34.3	0	0	113.2	P559 D642 E643	Q557-P559 WeakPolarHBondContact O-CD 3.26Å; Q557-D642 WeakPolarHBondContact CA-O 2.96Å; Q557-D642 WeakPolarHBondContact CB-O 3.33Å; Q557-D642 PolarHBondContact N-O 3.4Å; Q557-E643 HydrophobicContact CG-CB 4.11Å; Q557-E643 PolarHBondContact NE2-OE2 3.43Å
558	R	88.9	Confident	91.9	Very high	216 Å²	216	60.1 Å²	60.1	82%	0.815	29%	0.293	S	S	*	.	S	Bend	trans	-113.7	97.5	173.6	-65.2	-176.2	-177.1	-171.7	-1.3	109.1	P556 Y560	P556-R558 PolarHBondContact O-N 2.94Å; R558-Y560 PolarHBondContact O-N 3.48Å
559	P	90.1	Very high	92.2	Very high	24 Å²	24	57.9 Å²	57.9	16%	0.156	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-58	132.3	178.7	-25.2	33.8	0	0	0	112.1	Q557 M561 K623 Q624	Q557-P559 WeakPolarHBondContact O-CD 3.26Å; P559-M561 HydrophobicContact CB-CE 3.59Å; P559-K623 HydrophobicContact CB-CB 4.46Å; P559-K623 WeakPolarHBondContact CB-O 3.31Å; P559-K623 WeakPolarHBondContact CG-O 3.42Å; P559-Q624 HydrophobicContact CG-CG 4.07Å
560	Y	92.3	Very high	92.6	Very high	127 Å²	127	53.6 Å²	53.6	50%	0.498	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-80.8	130.1	172.9	172.1	-112	0	0	0	110.5	R558 Y572 R630	R558-Y560 PolarHBondContact O-N 3.48Å; Y560-Y572 HydrophobicContact CD1-CE1 4.27Å; Y560-Y572 HydrophobicContact CD1-CE2 4.5Å; Y560-Y572 HydrophobicContact CE1-CE2 4.13Å; Y560-R630 VanDerWaalsContact O-CZ 3.3Å; Y560-R630 PolarHBondContact O-NH1 3.46Å; Y560-R630 PolarHBondContact O-NH2 3.43Å
561	M	93.7	Very high	93.1	Very high	18 Å²	18	45.7 Å²	45.7	9%	0.089	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-100.3	123.4	171.4	-61.5	-59.9	118.6	0	0	108.6	P559 W614 L618 K623 M626	P559-M561 HydrophobicContact CB-CE 3.59Å; M561-W614 HydrophobicContact CB-CB 4.04Å; M561-W614 HydrophobicContact CG-CB 4.39Å; M561-L618 HydrophobicContact SD-CD1 3.84Å; M561-K623 HydrophobicContact CE-CB 3.94Å; M561-K623 HydrophobicContact CE-CG 4.08Å; M561-K623 HydrophobicContact CG-CG 4.26Å; M561-K623 HydrophobicContact SD-CG 4.27Å; M561-M626 HydrophobicContact CE-CB 4.39Å; M561-M626 HydrophobicContact CE-CG 4.49Å; M561-M626 HydrophobicContact SD-CG 4.4Å
562	S	92	Very high	93.3	Very high	11 Å²	11	47.1 Å²	47.1	8%	0.077	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-73.3	157.6	-180	40.2	0	0	0	0	110.5	D568 Q569	S562-D568 PolarHBondContact OG-O 3.33Å; S562-Q569 PolarHBondContact O-NE2 2.98Å; S562-Q569 PolarHBondContact OG-NE2 2.63Å; S562-Q569 VanDerWaalsContact OG-NE2 3.07Å; S562-Q569 PolarHBondContact OG-OE1 3.4Å
563	M	91	Very high	93.3	Very high	153 Å²	153	49.8 Å²	49.8	75%	0.754	24%	0.235	S	C	*	.	S	Bend	trans	-74.6	145	164.9	-61.2	-61.9	-66.2	0	0	109.1
564	G	92.4	Very high	93.3	Very high	21 Å²	21	50.1 Å²	50.1	22%	0.216	24%	0.239	C	C	.	.	S	Bend	trans	123.5	-152.3	177	0	0	0	0	0	113.3	W614	G564-W614 PolarHBondContact O-NE1 2.91Å
565	S	94.7	Very high	93.3	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.049	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-78.4	170.6	-173.8	69.2	0	0	0	0	113.5	R567 D568 Q569 W608 A610	S565-R567 PolarHBondContact O-N 2.93Å; S565-R567 PolarHBondContact OG-N 3.34Å; S565-D568 WeakPolarHBondContact CB-OD2 3.44Å; S565-D568 PolarHBondContact N-OD2 2.89Å; S565-D568 PolarHBondContact O-N 2.92Å; S565-D568 PolarHBondContact OG-N 3.41Å; S565-D568 PolarHBondContact OG-OD2 3.26Å; S565-Q569 PolarHBondContact O-N 2.96Å; S565-Q569 PolarHBondContact O-NE2 3.12Å; S565-W608 WeakPolarHBondContact CB-O 3.47Å; S565-A610 CarbonylContact C-O 3.56Å; S565-A610 WeakPolarHBondContact CA-O 3.36Å
566	L	94.5	Very high	93.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-36.7	170.8	-178.4	58.1	0	0	0	110.8	D568 Q569 I601 V602 W608 A610 W614 M626	L566-D568 VanDerWaalsContact C-N 3.33Å; L566-D568 PolarHBondContact O-N 3.08Å; L566-Q569 VanDerWaalsContact O-CB 3.32Å; L566-Q569 WeakPolarHBondContact O-CB 3.38Å; L566-Q569 PolarHBondContact O-N 3.37Å; L566-Q569 VanDerWaalsContact O-N 3.09Å; L566-I601 HydrophobicContact CD1-CG2 4.16Å; L566-I601 HydrophobicContact CD2-CG2 4.19Å; L566-V602 HydrophobicContact CD2-CB 4.31Å; L566-V602 HydrophobicContact CD2-CG2 3.89Å; L566-W608 HydrophobicContact CD2-CE3 4.45Å; L566-W608 HydrophobicContact CG-CE3 4.21Å; L566-W608 HydrophobicContact CG-CZ3 4.33Å; L566-W608 PolarHBondContact N-O 2.84Å; L566-A610 PolarHBondContact N-O 3.2Å; L566-W614 HydrophobicContact CB-CH2 3.68Å; L566-W614 HydrophobicContact CB-CZ2 3.55Å; L566-W614 HydrophobicContact CD1-CE3 4.44Å; L566-W614 HydrophobicContact CD1-CH2 3.78Å; L566-W614 HydrophobicContact CD1-CZ2 4.18Å; L566-W614 HydrophobicContact CD1-CZ3 3.92Å; L566-W614 HydrophobicContact CD2-CH2 4.45Å; L566-W614 HydrophobicContact CG-CH2 4.16Å; L566-W614 HydrophobicContact CG-CZ2 4.42Å; L566-M626 HydrophobicContact CD1-CE 3.98Å
567	R	95.1	Very high	93.2	Very high	26 Å²	26	58.6 Å²	58.6	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-47.2	175.6	-169.5	-178.7	-61.5	96.3	-4	111	S565 Q569 V570 I571 M579 D586 L589 W608 D609	S565-R567 PolarHBondContact O-N 2.93Å; S565-R567 PolarHBondContact OG-N 3.34Å; R567-Q569 PolarHBondContact O-N 3.2Å; R567-Q569 VanDerWaalsContact O-N 3.14Å; R567-V570 PolarHBondContact O-N 3.37Å; R567-I571 HydrophobicContact CG-CD1 4.37Å; R567-I571 HydrophobicContact CG-CG2 4.48Å; R567-I571 WeakPolarHBondContact O-CG1 3.5Å; R567-I571 PolarHBondContact O-N 3.11Å; R567-I571 VanDerWaalsContact O-N 3.16Å; R567-M579 HydrophobicContact CG-SD 4.33Å; R567-D586 IonicContact CZ-OD1 3.54Å; R567-D586 IonicContact CZ-OD2 2.71Å; R567-D586 IonicContact NE-OD1 2.84Å; R567-D586 PolarHBondContact NE-OD1 2.83Å; R567-D586 IonicContact NE-OD2 3.83Å; R567-D586 IonicContact NH2-OD1 3.83Å; R567-D586 IonicContact NH2-OD2 3.77Å; R567-D586 PolarHBondContact NH2-OD2 3.09Å; R567-L589 HydrophobicContact CG-CD1 3.84Å; R567-W608 HydrophobicContact CB-CE3 4.06Å; R567-W608 PolarHBondContact N-O 2.96Å; R567-W608 VanDerWaalsContact N-O 3.15Å; R567-W608 VanDerWaalsContact NH2-CB 3.34Å; R567-D609 IonicContact CZ-OD1 3.48Å; R567-D609 VanDerWaalsContact CZ-OD1 3.28Å; R567-D609 IonicContact NH1-OD1 3.13Å; R567-D609 PolarHBondContact NH1-OD1 3.32Å; R567-D609 IonicContact NH2-OD1 3.92Å; R567-D609 PolarHBondContact NH2-OD1 3.31Å
568	D	95.1	Very high	93.4	Very high	42 Å²	42	58 Å²	58	23%	0.225	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-29	178	-59.9	-45.2	0	0	0	112	S562 S565 L566 Y572	S562-D568 PolarHBondContact OG-O 3.33Å; S565-D568 WeakPolarHBondContact CB-OD2 3.44Å; S565-D568 PolarHBondContact N-OD2 2.89Å; S565-D568 PolarHBondContact O-N 2.92Å; S565-D568 PolarHBondContact OG-N 3.41Å; S565-D568 PolarHBondContact OG-OD2 3.26Å; L566-D568 VanDerWaalsContact C-N 3.33Å; L566-D568 PolarHBondContact O-N 3.08Å; D568-Y572 WeakPolarHBondContact O-CB 3.36Å; D568-Y572 PolarHBondContact O-N 2.73Å
569	Q	95	Very high	93.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.3	-35.4	175.5	-55.7	-48	-54.7	0	0	113	S562 S565 L566 R567 W614 M626 R630	S562-Q569 PolarHBondContact O-NE2 2.98Å; S562-Q569 PolarHBondContact OG-NE2 2.63Å; S562-Q569 VanDerWaalsContact OG-NE2 3.07Å; S562-Q569 PolarHBondContact OG-OE1 3.4Å; S565-Q569 PolarHBondContact O-N 2.96Å; S565-Q569 PolarHBondContact O-NE2 3.12Å; L566-Q569 VanDerWaalsContact O-CB 3.32Å; L566-Q569 WeakPolarHBondContact O-CB 3.38Å; L566-Q569 PolarHBondContact O-N 3.37Å; L566-Q569 VanDerWaalsContact O-N 3.09Å; R567-Q569 PolarHBondContact O-N 3.2Å; R567-Q569 VanDerWaalsContact O-N 3.14Å; Q569-W614 HydrophobicContact CG-CB 4.43Å; Q569-W614 HydrophobicContact CG-CD2 4.08Å; Q569-W614 HydrophobicContact CG-CG 3.83Å; Q569-M626 HydrophobicContact CB-CE 4.28Å; Q569-M626 HydrophobicContact CB-CG 4.17Å; Q569-M626 HydrophobicContact CB-SD 4.01Å; Q569-R630 PolarHBondContact O-NE 3.46Å; Q569-R630 PolarHBondContact O-NH2 3.16Å
570	V	95.3	Very high	93.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-83.6	-38	-176.5	-177	0	0	0	0	111.4	R567 L589 L593 W608 M626 A629 R630	R567-V570 PolarHBondContact O-N 3.37Å; V570-L589 HydrophobicContact CG1-CD2 3.99Å; V570-L593 HydrophobicContact CG2-CD2 3.98Å; V570-W608 HydrophobicContact CG2-CH2 4.3Å; V570-W608 HydrophobicContact CG2-CZ3 3.87Å; V570-M626 HydrophobicContact CG2-CE 4.29Å; V570-M626 HydrophobicContact CG2-SD 3.66Å; V570-A629 HydrophobicContact CG1-CB 4.33Å; V570-R630 WeakPolarHBondContact O-CG 3.13Å
571	I	95.3	Very high	93.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-85.5	-19	-173.4	67.2	178.4	0	0	0	113.6	R567 D574 V576 M579 L589 Y633 H634	R567-I571 HydrophobicContact CG-CD1 4.37Å; R567-I571 HydrophobicContact CG-CG2 4.48Å; R567-I571 WeakPolarHBondContact O-CG1 3.5Å; R567-I571 PolarHBondContact O-N 3.11Å; R567-I571 VanDerWaalsContact O-N 3.16Å; I571-D574 WeakPolarHBondContact CG1-O 3.27Å; I571-D574 WeakPolarHBondContact O-CB 3.43Å; I571-D574 PolarHBondContact O-N 3.33Å; I571-V576 HydrophobicContact CD1-CG2 4.1Å; I571-M579 HydrophobicContact CD1-CB 4.5Å; I571-M579 HydrophobicContact CG2-CG 4.45Å; I571-M579 HydrophobicContact CG2-SD 3.82Å; I571-L589 HydrophobicContact CG2-CD1 4.11Å; I571-L589 HydrophobicContact CG2-CD2 4.1Å; I571-Y633 HydrophobicContact CB-CD1 4.48Å; I571-Y633 HydrophobicContact CB-CE1 3.94Å; I571-Y633 HydrophobicContact CB-CE2 4.21Å; I571-Y633 HydrophobicContact CG2-CD2 4.14Å; I571-Y633 HydrophobicContact CG2-CE1 4.28Å; I571-Y633 HydrophobicContact CG2-CE2 3.64Å; I571-Y633 WeakPolarHBondContact O-CE1 3.32Å; I571-H634 PolarHBondContact O-NE2 3.46Å
572	Y	95.1	Very high	93.7	Very high	94 Å²	94	52.8 Å²	52.8	37%	0.369	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	131.9	-179	-177.4	-87.6	0	0	0	112.6	Y560 D568 H634	Y560-Y572 HydrophobicContact CD1-CE1 4.27Å; Y560-Y572 HydrophobicContact CD1-CE2 4.5Å; Y560-Y572 HydrophobicContact CE1-CE2 4.13Å; D568-Y572 WeakPolarHBondContact O-CB 3.36Å; D568-Y572 PolarHBondContact O-N 2.73Å; Y572-H634 PolarHBondContact O-NE2 3.43Å; Y572-H634 VanDerWaalsContact O-NE2 3.12Å
573	P	92.8	Very high	93.7	Very high	81 Å²	81	55.1 Å²	55.1	53%	0.526	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.1	5.4	10.9	36.1	-38.5	0	0	0	116.6	H634	P573-H634 WeakPolarHBondContact CD-NE2 3.29Å
574	D	94.3	Very high	93.8	Very high	40 Å²	40	49.7 Å²	49.7	21%	0.214	30%	0.295	C	S	.	.	S	Bend	trans	-71.4	153	178.5	-72.3	2.4	0	0	0	110.9	I571 D578 R582 Y633 H634	I571-D574 WeakPolarHBondContact CG1-O 3.27Å; I571-D574 WeakPolarHBondContact O-CB 3.43Å; I571-D574 PolarHBondContact O-N 3.33Å; D574-D578 HydrophobicContact CB-CB 3.86Å; D574-R582 IonicContact OD2-CZ 3.44Å; D574-R582 IonicContact OD2-NH1 3.28Å; D574-R582 PolarHBondContact OD2-NH1 3.28Å; D574-Y633 HydrophobicContact CB-CE1 4.1Å; D574-Y633 WeakPolarHBondContact OD2-CE1 3.2Å; D574-Y633 PolarHBondContact OD2-OH 3.11Å; D574-H634 IonicContact OD1-CE1 2.81Å; D574-H634 IonicContact OD2-CE1 3.32Å; D574-H634 PolarHBondContact OD2-CE1 3.4Å; D574-H634 IonicContact OD2-ND1 3.98Å
575	S	93.8	Very high	93.9	Very high	47 Å²	47	52 Å²	52	33%	0.329	31%	0.306	S	S	.	.			trans	-89.8	169.3	169.3	70.8	0	0	0	0	111.8	E577 D578 M579	S575-E577 PolarHBondContact O-N 3.42Å; S575-E577 PolarHBondContact OG-N 3.45Å; S575-D578 WeakPolarHBondContact CB-OD2 3.43Å; S575-D578 PolarHBondContact N-OD2 3.33Å; S575-D578 WeakPolarHBondContact O-CB 3.44Å; S575-D578 PolarHBondContact O-N 2.83Å; S575-D578 VanDerWaalsContact O-N 3.08Å; S575-D578 VanDerWaalsContact OG-CG 3.24Å; S575-D578 PolarHBondContact OG-N 3.45Å; S575-D578 PolarHBondContact OG-OD2 3.04Å; S575-M579 PolarHBondContact O-N 3.4Å
576	V	92.5	Very high	93.9	Very high	70 Å²	70	54.1 Å²	54.1	42%	0.424	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-32.6	173.9	-178	0	0	0	0	111.6	I571 M579 A580	I571-V576 HydrophobicContact CD1-CG2 4.1Å; V576-M579 PolarHBondContact O-N 2.95Å; V576-A580 PolarHBondContact O-N 2.96Å; V576-A580 VanDerWaalsContact O-N 3.08Å
577	E	93.8	Very high	93.8	Very high	166 Å²	166	61.7 Å²	61.7	78%	0.776	35%	0.349	S	S	*	.	H	α-helix	trans	-66.3	-40.7	175.1	-62.1	178.5	-176.5	0	0	111.2	S575 A580 A581	S575-E577 PolarHBondContact O-N 3.42Å; S575-E577 PolarHBondContact OG-N 3.45Å; E577-A580 PolarHBondContact O-N 2.84Å; E577-A581 PolarHBondContact O-N 2.9Å
578	D	93.9	Very high	93.8	Very high	75 Å²	75	63.6 Å²	63.6	40%	0.401	36%	0.362	S	S	.	.	H	α-helix	trans	-67.7	-40.8	177	-59	-49.8	0	0	0	111.5	D574 S575 A580 A581 R582	D574-D578 HydrophobicContact CB-CB 3.86Å; S575-D578 WeakPolarHBondContact CB-OD2 3.43Å; S575-D578 PolarHBondContact N-OD2 3.33Å; S575-D578 WeakPolarHBondContact O-CB 3.44Å; S575-D578 PolarHBondContact O-N 2.83Å; S575-D578 VanDerWaalsContact O-N 3.08Å; S575-D578 VanDerWaalsContact OG-CG 3.24Å; S575-D578 PolarHBondContact OG-N 3.45Å; S575-D578 PolarHBondContact OG-OD2 3.04Å; D578-A580 VanDerWaalsContact C-N 3.31Å; D578-A580 PolarHBondContact O-N 3.19Å; D578-A581 WeakPolarHBondContact O-CB 3.32Å; D578-A581 PolarHBondContact O-N 3.42Å; D578-A581 VanDerWaalsContact O-N 3.16Å; D578-R582 WeakPolarHBondContact O-CG 3.41Å; D578-R582 PolarHBondContact O-N 2.95Å
579	M	93.8	Very high	93.8	Very high	9 Å²	9	61.6 Å²	61.6	4%	0.044	35%	0.351	C	S	.	.	H	α-helix	trans	-57.6	-45.4	173.4	176.3	-176.5	160.9	0	0	111.5	R567 I571 S575 V576 A581 R582 G583 L584 L589 Y633	R567-M579 HydrophobicContact CG-SD 4.33Å; I571-M579 HydrophobicContact CD1-CB 4.5Å; I571-M579 HydrophobicContact CG2-CG 4.45Å; I571-M579 HydrophobicContact CG2-SD 3.82Å; S575-M579 PolarHBondContact O-N 3.4Å; V576-M579 PolarHBondContact O-N 2.95Å; M579-A581 VanDerWaalsContact C-N 3.34Å; M579-R582 PolarHBondContact O-N 3.46Å; M579-G583 PolarHBondContact O-N 3.32Å; M579-L584 VanDerWaalsContact CE-O 3.3Å; M579-L584 WeakPolarHBondContact CE-O 3.44Å; M579-L584 HydrophobicContact CG-CB 4.05Å; M579-L584 PolarHBondContact O-N 2.83Å; M579-L589 HydrophobicContact CE-CD1 3.73Å; M579-L589 HydrophobicContact CE-CG 3.98Å; M579-L589 HydrophobicContact SD-CD1 3.89Å; M579-Y633 WeakPolarHBondContact CA-OH 3.45Å; M579-Y633 WeakPolarHBondContact CB-OH 3.45Å; M579-Y633 HydrophobicContact CG-CE2 4.34Å
580	A	92.3	Very high	93.8	Very high	71 Å²	71	64.5 Å²	64.5	59%	0.587	36%	0.364	S	S	*	.	H	α-helix	trans	-64.4	-39.6	176.5	0	0	0	0	0	111.6	V576 E577 D578 R582 G583	V576-A580 PolarHBondContact O-N 2.96Å; V576-A580 VanDerWaalsContact O-N 3.08Å; E577-A580 PolarHBondContact O-N 2.84Å; D578-A580 VanDerWaalsContact C-N 3.31Å; D578-A580 PolarHBondContact O-N 3.19Å; A580-R582 VanDerWaalsContact C-N 3.28Å; A580-R582 PolarHBondContact O-N 2.9Å; A580-G583 PolarHBondContact O-N 3.08Å
581	A	93.8	Very high	93.7	Very high	88 Å²	88	67 Å²	67	73%	0.727	39%	0.385	S	S	*	.	H	α-helix	trans	-63.9	-32.1	175.6	0	0	0	0	0	112.8	E577 D578 M579 G583	E577-A581 PolarHBondContact O-N 2.9Å; D578-A581 WeakPolarHBondContact O-CB 3.32Å; D578-A581 PolarHBondContact O-N 3.42Å; D578-A581 VanDerWaalsContact O-N 3.16Å; M579-A581 VanDerWaalsContact C-N 3.34Å; A581-G583 PolarHBondContact O-N 2.9Å
582	R	92	Very high	93.7	Very high	108 Å²	108	67.9 Å²	67.9	41%	0.408	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.4	173.2	-65.7	176.4	82.7	178.6	3.8	113.3	D574 D578 M579 A580 L584 Y633 H634	D574-R582 IonicContact OD2-CZ 3.44Å; D574-R582 IonicContact OD2-NH1 3.28Å; D574-R582 PolarHBondContact OD2-NH1 3.28Å; D578-R582 WeakPolarHBondContact O-CG 3.41Å; D578-R582 PolarHBondContact O-N 2.95Å; M579-R582 PolarHBondContact O-N 3.46Å; A580-R582 VanDerWaalsContact C-N 3.28Å; A580-R582 PolarHBondContact O-N 2.9Å; R582-L584 VanDerWaalsContact C-N 3.27Å; R582-L584 HydrophobicContact CB-CD1 4.23Å; R582-L584 HydrophobicContact CB-CG 4.28Å; R582-L584 PolarHBondContact O-N 3.38Å; R582-Y633 VanDerWaalsContact NH1-CE1 3.29Å; R582-H634 PolarHBondContact NH1-ND1 3.35Å; R582-H634 PolarHBondContact NH2-O 2.96Å
583	G	91.9	Very high	93.8	Very high	59 Å²	59	63.4 Å²	63.4	61%	0.608	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	20.5	-179.7	0	0	0	0	0	114	M579 A580 A581	M579-G583 PolarHBondContact O-N 3.32Å; A580-G583 PolarHBondContact O-N 3.08Å; A581-G583 PolarHBondContact O-N 2.9Å
584	L	93.3	Very high	93.8	Very high	39 Å²	39	64.2 Å²	64.2	20%	0.204	37%	0.372	C	S	.	.			trans	-89.2	144.5	178.5	-66.7	171.2	0	0	0	110.4	M579 R582 D588 Y633	M579-L584 VanDerWaalsContact CE-O 3.3Å; M579-L584 WeakPolarHBondContact CE-O 3.44Å; M579-L584 HydrophobicContact CG-CB 4.05Å; M579-L584 PolarHBondContact O-N 2.83Å; R582-L584 VanDerWaalsContact C-N 3.27Å; R582-L584 HydrophobicContact CB-CD1 4.23Å; R582-L584 HydrophobicContact CB-CG 4.28Å; R582-L584 PolarHBondContact O-N 3.38Å; L584-D588 HydrophobicContact CD2-CB 4.12Å; L584-Y633 HydrophobicContact CD1-CD2 3.85Å; L584-Y633 HydrophobicContact CD1-CE2 3.38Å
585	T	94.3	Very high	93.8	Very high	70 Å²	70	65.9 Å²	65.9	43%	0.429	38%	0.38	S	S	.	.			trans	-118.6	165.7	-178	64.8	0	0	0	0	111.5	K587 D588 L589	T585-K587 PolarHBondContact O-N 3.14Å; T585-K587 VanDerWaalsContact O-N 3.12Å; T585-D588 PolarHBondContact N-OD2 3.13Å; T585-D588 WeakPolarHBondContact O-CB 3.49Å; T585-D588 PolarHBondContact O-N 2.85Å; T585-D588 PolarHBondContact OG1-OD2 2.98Å; T585-L589 PolarHBondContact O-N 3.21Å
586	D	93.3	Very high	93.8	Very high	51 Å²	51	63.6 Å²	63.6	27%	0.273	36%	0.364	S	S	.	.	H	α-helix	trans	-56.8	-28.7	176.4	-73.2	-5	0	0	0	112	R567 D588 L589 E590	R567-D586 IonicContact CZ-OD1 3.54Å; R567-D586 IonicContact CZ-OD2 2.71Å; R567-D586 IonicContact NE-OD1 2.84Å; R567-D586 PolarHBondContact NE-OD1 2.83Å; R567-D586 IonicContact NE-OD2 3.83Å; R567-D586 IonicContact NH2-OD1 3.83Å; R567-D586 IonicContact NH2-OD2 3.77Å; R567-D586 PolarHBondContact NH2-OD2 3.09Å; D586-D588 VanDerWaalsContact C-N 3.34Å; D586-D588 PolarHBondContact O-N 3.37Å; D586-L589 WeakPolarHBondContact O-CB 3.48Å; D586-L589 PolarHBondContact O-N 3.49Å; D586-E590 WeakPolarHBondContact O-CG 3.32Å; D586-E590 PolarHBondContact O-N 3.33Å
587	K	93.6	Very high	93.9	Very high	160 Å²	160	64.8 Å²	64.8	70%	0.696	37%	0.368	S	S	*	.	H	α-helix	trans	-65.2	-35	174.3	-66.4	-173.9	178.4	-178.7	0	113.2	T585 L589 E590 A591	T585-K587 PolarHBondContact O-N 3.14Å; T585-K587 VanDerWaalsContact O-N 3.12Å; K587-L589 VanDerWaalsContact C-N 3.31Å; K587-E590 PolarHBondContact O-N 3.3Å; K587-A591 PolarHBondContact O-N 2.91Å
588	D	94.2	Very high	93.9	Very high	66 Å²	66	56.9 Å²	56.9	35%	0.353	33%	0.331	S	S	.	.	H	α-helix	trans	-69.1	-36.9	175.5	-57.6	-63.2	0	0	0	110.1	L584 T585 D586 A591 I592	L584-D588 HydrophobicContact CD2-CB 4.12Å; T585-D588 PolarHBondContact N-OD2 3.13Å; T585-D588 WeakPolarHBondContact O-CB 3.49Å; T585-D588 PolarHBondContact O-N 2.85Å; T585-D588 PolarHBondContact OG1-OD2 2.98Å; D586-D588 VanDerWaalsContact C-N 3.34Å; D586-D588 PolarHBondContact O-N 3.37Å; D588-A591 PolarHBondContact O-N 3.39Å; D588-I592 VanDerWaalsContact O-CG1 3.31Å; D588-I592 WeakPolarHBondContact O-CG1 3.49Å; D588-I592 PolarHBondContact O-N 3.04Å
589	L	94.9	Very high	93.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-67.3	-39	174.2	-54.6	-174.7	0	0	0	111.8	R567 V570 I571 M579 T585 D586 K587 I592 L593 W608 Y633	R567-L589 HydrophobicContact CG-CD1 3.84Å; V570-L589 HydrophobicContact CG1-CD2 3.99Å; I571-L589 HydrophobicContact CG2-CD1 4.11Å; I571-L589 HydrophobicContact CG2-CD2 4.1Å; M579-L589 HydrophobicContact CE-CD1 3.73Å; M579-L589 HydrophobicContact CE-CG 3.98Å; M579-L589 HydrophobicContact SD-CD1 3.89Å; T585-L589 PolarHBondContact O-N 3.21Å; D586-L589 WeakPolarHBondContact O-CB 3.48Å; D586-L589 PolarHBondContact O-N 3.49Å; K587-L589 VanDerWaalsContact C-N 3.31Å; L589-I592 HydrophobicContact CD2-CD1 4.42Å; L589-I592 PolarHBondContact O-N 3.39Å; L589-L593 WeakPolarHBondContact O-CG 3.41Å; L589-L593 PolarHBondContact O-N 3.49Å; L589-W608 HydrophobicContact CB-CH2 3.36Å; L589-W608 HydrophobicContact CB-CZ2 3.66Å; L589-W608 HydrophobicContact CB-CZ3 4.06Å; L589-W608 HydrophobicContact CD1-CE3 4.4Å; L589-W608 HydrophobicContact CD1-CH2 4.15Å; L589-W608 HydrophobicContact CD1-CZ3 4Å; L589-W608 HydrophobicContact CG-CH2 4.41Å; L589-Y633 HydrophobicContact CD2-CD2 3.61Å; L589-Y633 HydrophobicContact CD2-CE2 3.97Å
590	E	94.9	Very high	93.8	Very high	60 Å²	60	61.3 Å²	61.3	28%	0.28	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-47	173.1	-72.7	171.8	-174.2	0	0	111.1	D586 K587 I592 L593 D594 Y599 W608	D586-E590 WeakPolarHBondContact O-CG 3.32Å; D586-E590 PolarHBondContact O-N 3.33Å; K587-E590 PolarHBondContact O-N 3.3Å; E590-I592 VanDerWaalsContact C-N 3.29Å; E590-I592 PolarHBondContact O-N 3.09Å; E590-L593 PolarHBondContact O-N 3.31Å; E590-L593 VanDerWaalsContact O-N 3.14Å; E590-D594 PolarHBondContact O-N 3.37Å; E590-Y599 HydrophobicContact CB-CD2 4.23Å; E590-Y599 HydrophobicContact CB-CE2 4.07Å; E590-Y599 HydrophobicContact CG-CD2 4.31Å; E590-Y599 HydrophobicContact CG-CE2 3.88Å; E590-W608 HydrophobicContact CG-CZ2 3.82Å
591	A	94.8	Very high	93.8	Very high	53 Å²	53	58 Å²	58	44%	0.438	32%	0.318	S	S	.	.	H	α-helix	trans	-60.6	-38.3	176.1	0	0	0	0	0	112.4	K587 D588 D594 I595	K587-A591 PolarHBondContact O-N 2.91Å; D588-A591 PolarHBondContact O-N 3.39Å; A591-D594 PolarHBondContact O-N 2.86Å; A591-I595 WeakPolarHBondContact O-CG1 3.3Å; A591-I595 PolarHBondContact O-N 3.21Å
592	I	95.6	Very high	93.6	Very high	18 Å²	18	54.4 Å²	54.4	9%	0.092	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-44.9	174.3	-70.1	163.2	0	0	0	111	D588 L589 E590 D594 I595 V596 A629 F632 Y633	D588-I592 VanDerWaalsContact O-CG1 3.31Å; D588-I592 WeakPolarHBondContact O-CG1 3.49Å; D588-I592 PolarHBondContact O-N 3.04Å; L589-I592 HydrophobicContact CD2-CD1 4.42Å; L589-I592 PolarHBondContact O-N 3.39Å; E590-I592 VanDerWaalsContact C-N 3.29Å; E590-I592 PolarHBondContact O-N 3.09Å; I592-D594 VanDerWaalsContact C-N 3.27Å; I592-D594 PolarHBondContact O-N 3.04Å; I592-I595 WeakPolarHBondContact O-CB 3.49Å; I592-I595 PolarHBondContact O-N 3.06Å; I592-V596 PolarHBondContact O-N 2.71Å; I592-A629 HydrophobicContact CG2-CB 3.91Å; I592-A629 WeakPolarHBondContact CG2-O 3.3Å; I592-F632 HydrophobicContact CG1-CB 4.29Å; I592-F632 HydrophobicContact CG2-CB 3.82Å; I592-Y633 HydrophobicContact CD1-CD2 4.47Å
593	L	95.3	Very high	93.6	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-31.1	178.1	-71.1	-173.3	0	0	0	112.4	V570 L589 E590 V596 N597 L598 V602 W608 M626 A629	V570-L593 HydrophobicContact CG2-CD2 3.98Å; L589-L593 WeakPolarHBondContact O-CG 3.41Å; L589-L593 PolarHBondContact O-N 3.49Å; E590-L593 PolarHBondContact O-N 3.31Å; E590-L593 VanDerWaalsContact O-N 3.14Å; L593-V596 HydrophobicContact CD2-CG2 4.31Å; L593-V596 CarbonylContact O-C 3.55Å; L593-V596 WeakPolarHBondContact O-CG2 3.44Å; L593-V596 PolarHBondContact O-N 3.17Å; L593-N597 PolarHBondContact O-N 3.08Å; L593-L598 HydrophobicContact CB-CB 4.38Å; L593-L598 HydrophobicContact CD2-CB 3.89Å; L593-L598 HydrophobicContact CD2-CD1 4.37Å; L593-L598 PolarHBondContact O-N 3.4Å; L593-V602 HydrophobicContact CD1-CG2 3.44Å; L593-V602 VanDerWaalsContact CD1-CG2 3.44Å; L593-W608 HydrophobicContact CD1-CH2 3.3Å; L593-W608 HydrophobicContact CD1-CZ2 3.88Å; L593-W608 HydrophobicContact CD1-CZ3 4.05Å; L593-W608 HydrophobicContact CG-CH2 3.99Å; L593-M626 HydrophobicContact CD2-CE 4.4Å; L593-A629 HydrophobicContact CD2-CB 4.12Å
594	D	94.7	Very high	93.6	Very high	97 Å²	97	57 Å²	57	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-43.3	172.6	-83.7	-24.2	0	0	0	112	E590 A591 I592 V596 N597 Y599	E590-D594 PolarHBondContact O-N 3.37Å; A591-D594 PolarHBondContact O-N 2.86Å; I592-D594 VanDerWaalsContact C-N 3.27Å; I592-D594 PolarHBondContact O-N 3.04Å; D594-V596 VanDerWaalsContact C-N 3.25Å; D594-V596 PolarHBondContact O-N 3.41Å; D594-N597 PolarHBondContact O-N 3.43Å; D594-Y599 WeakPolarHBondContact OD1-CB 3.31Å
595	I	93.6	Very high	93.4	Very high	75 Å²	75	57.3 Å²	57.3	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-57.1	-41.4	176.7	-66.4	165.8	0	0	0	111	A591 I592 N597 F632 A659	A591-I595 WeakPolarHBondContact O-CG1 3.3Å; A591-I595 PolarHBondContact O-N 3.21Å; I592-I595 WeakPolarHBondContact O-CB 3.49Å; I592-I595 PolarHBondContact O-N 3.06Å; I595-N597 VanDerWaalsContact C-N 3.35Å; I595-F632 HydrophobicContact CG2-CD2 4.27Å; I595-F632 HydrophobicContact CG2-CE1 4.39Å; I595-F632 HydrophobicContact CG2-CE2 3.74Å; I595-F632 HydrophobicContact CG2-CZ 3.81Å; I595-A659 HydrophobicContact CG2-CB 3.78Å
596	V	94.2	Very high	93	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	8.7	179.3	-59.2	0	0	0	0	113.7	I592 L593 D594 L598 R625 M628 A629 F632 I656	I592-V596 PolarHBondContact O-N 2.71Å; L593-V596 HydrophobicContact CD2-CG2 4.31Å; L593-V596 CarbonylContact O-C 3.55Å; L593-V596 WeakPolarHBondContact O-CG2 3.44Å; L593-V596 PolarHBondContact O-N 3.17Å; D594-V596 VanDerWaalsContact C-N 3.25Å; D594-V596 PolarHBondContact O-N 3.41Å; V596-L598 VanDerWaalsContact C-N 3.34Å; V596-L598 HydrophobicContact CG2-CB 3.96Å; V596-L598 HydrophobicContact CG2-CD1 3.9Å; V596-L598 HydrophobicContact CG2-CG 3.77Å; V596-L598 PolarHBondContact O-N 3.36Å; V596-R625 HydrophobicContact CB-CB 4.37Å; V596-R625 VanDerWaalsContact O-CD 3.24Å; V596-R625 WeakPolarHBondContact O-CD 3.35Å; V596-M628 HydrophobicContact CG1-CB 3.89Å; V596-A629 HydrophobicContact CG2-CB 3.98Å; V596-F632 HydrophobicContact CG1-CD2 3.85Å; V596-F632 HydrophobicContact CG1-CE2 3.79Å; V596-I656 HydrophobicContact CB-CD1 4.26Å; V596-I656 HydrophobicContact CG1-CD1 4.23Å; V596-I656 HydrophobicContact CG1-CG1 4.31Å
597	N	93.8	Very high	93	Very high	94 Å²	94	55.8 Å²	55.8	50%	0.503	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	43.5	179.6	-164.2	35	0	0	0	114	L593 D594 I595 H600 V652	L593-N597 PolarHBondContact O-N 3.08Å; D594-N597 PolarHBondContact O-N 3.43Å; I595-N597 VanDerWaalsContact C-N 3.35Å; N597-H600 PolarHBondContact O-CE1 2.97Å; N597-V652 HydrophobicContact CB-CG1 4.43Å
598	L	94.6	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.			trans	-117.4	0.3	180	-69.4	-169.9	0	0	0	114.3	L593 V596 H600 I601 E622 R625 M626	L593-L598 HydrophobicContact CB-CB 4.38Å; L593-L598 HydrophobicContact CD2-CB 3.89Å; L593-L598 HydrophobicContact CD2-CD1 4.37Å; L593-L598 PolarHBondContact O-N 3.4Å; V596-L598 VanDerWaalsContact C-N 3.34Å; V596-L598 HydrophobicContact CG2-CB 3.96Å; V596-L598 HydrophobicContact CG2-CD1 3.9Å; V596-L598 HydrophobicContact CG2-CG 3.77Å; V596-L598 PolarHBondContact O-N 3.36Å; L598-H600 PolarHBondContact O-N 3.47Å; L598-H600 VanDerWaalsContact O-N 3.1Å; L598-I601 HydrophobicContact CB-CD1 4.29Å; L598-I601 HydrophobicContact CD2-CD1 3.77Å; L598-I601 HydrophobicContact CG-CD1 4.41Å; L598-I601 WeakPolarHBondContact O-CB 3.24Å; L598-I601 PolarHBondContact O-N 3.04Å; L598-E622 HydrophobicContact CD2-CB 4.27Å; L598-E622 HydrophobicContact CD2-CG 4.05Å; L598-R625 HydrophobicContact CD1-CB 3.71Å; L598-R625 HydrophobicContact CD2-CB 4.01Å; L598-R625 VanDerWaalsContact CD2-NE 3.33Å; L598-R625 HydrophobicContact CG-CB 3.89Å; L598-M626 HydrophobicContact CD1-CB 4.29Å; L598-M626 HydrophobicContact CD1-CE 4.15Å
599	Y	92	Very high	92.8	Very high	96 Å²	96	51.4 Å²	51.4	38%	0.376	28%	0.284	S	S	.	.	H	α-helix	trans	-53.6	-35.4	-178	179	-97.1	0	0	0	113.8	E590 D594 I601 V602	E590-Y599 HydrophobicContact CB-CD2 4.23Å; E590-Y599 HydrophobicContact CB-CE2 4.07Å; E590-Y599 HydrophobicContact CG-CD2 4.31Å; E590-Y599 HydrophobicContact CG-CE2 3.88Å; D594-Y599 WeakPolarHBondContact OD1-CB 3.31Å; Y599-I601 PolarHBondContact O-N 3.4Å; Y599-V602 WeakPolarHBondContact O-CB 3.4Å; Y599-V602 PolarHBondContact O-N 3Å; Y599-V602 VanDerWaalsContact O-N 3.08Å
600	H	92.3	Very high	92.7	Very high	82 Å²	82	52.1 Å²	52.1	38%	0.38	29%	0.29	S	S	.	.	H	α-helix	trans	-57.3	-23.9	177	66.6	-82.8	0	0	0	114.5	N597 L598 T603 R604 E622	N597-H600 PolarHBondContact O-CE1 2.97Å; L598-H600 PolarHBondContact O-N 3.47Å; L598-H600 VanDerWaalsContact O-N 3.1Å; H600-T603 PolarHBondContact O-N 3.47Å; H600-R604 VanDerWaalsContact O-CB 3.29Å; H600-R604 WeakPolarHBondContact O-CB 3.36Å; H600-R604 PolarHBondContact O-N 3.35Å; H600-E622 IonicContact NE2-OE1 3.58Å
601	I	92.2	Very high	92.6	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-67.7	-37.6	178.3	-62.8	-179.7	0	0	0	110.9	L566 L598 Y599 T603 R604 E605 W614 L618 E622	L566-I601 HydrophobicContact CD1-CG2 4.16Å; L566-I601 HydrophobicContact CD2-CG2 4.19Å; L598-I601 HydrophobicContact CB-CD1 4.29Å; L598-I601 HydrophobicContact CD2-CD1 3.77Å; L598-I601 HydrophobicContact CG-CD1 4.41Å; L598-I601 WeakPolarHBondContact O-CB 3.24Å; L598-I601 PolarHBondContact O-N 3.04Å; Y599-I601 PolarHBondContact O-N 3.4Å; I601-T603 VanDerWaalsContact C-N 3.27Å; I601-T603 PolarHBondContact O-N 2.89Å; I601-R604 PolarHBondContact O-N 3.31Å; I601-E605 HydrophobicContact CG2-CG 3.97Å; I601-E605 PolarHBondContact O-N 3.36Å; I601-W614 HydrophobicContact CG2-CZ3 4.47Å; I601-L618 HydrophobicContact CD1-CD2 3.85Å; I601-L618 HydrophobicContact CG2-CD2 4.29Å; I601-E622 HydrophobicContact CD1-CB 4.21Å; I601-E622 HydrophobicContact CD1-CG 4.02Å
602	V	91.4	Very high	92.5	Very high	13 Å²	13	57.3 Å²	57.3	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-44.6	178.7	-175.5	0	0	0	0	109.9	L566 L593 Y599 G607 W608	L566-V602 HydrophobicContact CD2-CB 4.31Å; L566-V602 HydrophobicContact CD2-CG2 3.89Å; L593-V602 HydrophobicContact CD1-CG2 3.44Å; L593-V602 VanDerWaalsContact CD1-CG2 3.44Å; Y599-V602 WeakPolarHBondContact O-CB 3.4Å; Y599-V602 PolarHBondContact O-N 3Å; Y599-V602 VanDerWaalsContact O-N 3.08Å; V602-G607 VanDerWaalsContact O-CA 3.31Å; V602-G607 WeakPolarHBondContact O-CA 3.42Å; V602-G607 PolarHBondContact O-N 2.98Å; V602-W608 HydrophobicContact CG1-CD2 4.42Å; V602-W608 HydrophobicContact CG1-CG 4.39Å; V602-W608 HydrophobicContact CG2-CH2 4.25Å; V602-W608 HydrophobicContact CG2-CZ2 3.92Å
603	T	90.5	Very high	92.2	Very high	107 Å²	107	60.6 Å²	60.6	66%	0.656	33%	0.325	S	S	*	.	H	α-helix	trans	-72.2	-37.5	177.5	-46.7	0	0	0	0	112.5	H600 I601	H600-T603 PolarHBondContact O-N 3.47Å; I601-T603 VanDerWaalsContact C-N 3.27Å; I601-T603 PolarHBondContact O-N 2.89Å
604	R	91.9	Very high	92.1	Very high	113 Å²	113	60.6 Å²	60.6	43%	0.426	33%	0.325	S	S	.	.	H	α-helix	trans	-67.8	-41.6	-175.9	-171.6	-178.2	79.6	-163.6	5.8	112.7	H600 I601 E622	H600-R604 VanDerWaalsContact O-CB 3.29Å; H600-R604 WeakPolarHBondContact O-CB 3.36Å; H600-R604 PolarHBondContact O-N 3.35Å; I601-R604 PolarHBondContact O-N 3.31Å; R604-E622 IonicContact CZ-OE1 3.9Å; R604-E622 IonicContact NH1-OE1 3.29Å; R604-E622 PolarHBondContact NH1-OE1 2.93Å; R604-E622 IonicContact NH2-OE1 2.79Å
605	E	90.1	Very high	91.9	Very high	47 Å²	47	62 Å²	62	22%	0.22	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	9	-167.6	-57.6	-62.4	168.5	0	0	114	I601 A610 L612 W614 V617	I601-E605 HydrophobicContact CG2-CG 3.97Å; I601-E605 PolarHBondContact O-N 3.36Å; E605-A610 WeakPolarHBondContact O-CB 3.49Å; E605-L612 HydrophobicContact CB-CD1 3.96Å; E605-L612 HydrophobicContact CG-CD1 4.33Å; E605-L612 WeakPolarHBondContact OE2-CD1 3.33Å; E605-W614 HydrophobicContact CB-CH2 4.02Å; E605-W614 HydrophobicContact CB-CZ3 4.24Å; E605-W614 HydrophobicContact CG-CH2 4.36Å; E605-W614 HydrophobicContact CG-CZ3 4.06Å; E605-V617 HydrophobicContact CG-CG1 4.4Å; E605-V617 WeakPolarHBondContact OE1-CG1 3.38Å
606	G	85.8	Confident	91.6	Very high	68 Å²	68	64.2 Å²	64.2	70%	0.701	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	23	173.9	0	0	0	0	0	115.5
607	G	92.2	Very high	91.4	Very high	21 Å²	21	66.7 Å²	66.7	22%	0.216	35%	0.354	C	S	.	.	S	Bend	trans	96.6	-172.3	173.2	0	0	0	0	0	114.9	V602 D609 A610	V602-G607 VanDerWaalsContact O-CA 3.31Å; V602-G607 WeakPolarHBondContact O-CA 3.42Å; V602-G607 PolarHBondContact O-N 2.98Å; G607-D609 VanDerWaalsContact C-N 3.34Å; G607-D609 PolarHBondContact O-N 3.39Å; G607-A610 WeakPolarHBondContact O-CB 3.44Å; G607-A610 PolarHBondContact O-N 3.33Å
608	W	92.4	Very high	91.4	Very high	18 Å²	18	62.4 Å²	62.4	7%	0.068	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.7	-174.1	-73.8	110.4	0	0	0	114.5	S565 L566 R567 V570 L589 E590 L593 V602	S565-W608 WeakPolarHBondContact CB-O 3.47Å; L566-W608 HydrophobicContact CD2-CE3 4.45Å; L566-W608 HydrophobicContact CG-CE3 4.21Å; L566-W608 HydrophobicContact CG-CZ3 4.33Å; L566-W608 PolarHBondContact N-O 2.84Å; R567-W608 HydrophobicContact CB-CE3 4.06Å; R567-W608 PolarHBondContact N-O 2.96Å; R567-W608 VanDerWaalsContact N-O 3.15Å; R567-W608 VanDerWaalsContact NH2-CB 3.34Å; V570-W608 HydrophobicContact CG2-CH2 4.3Å; V570-W608 HydrophobicContact CG2-CZ3 3.87Å; L589-W608 HydrophobicContact CB-CH2 3.36Å; L589-W608 HydrophobicContact CB-CZ2 3.66Å; L589-W608 HydrophobicContact CB-CZ3 4.06Å; L589-W608 HydrophobicContact CD1-CE3 4.4Å; L589-W608 HydrophobicContact CD1-CH2 4.15Å; L589-W608 HydrophobicContact CD1-CZ3 4Å; L589-W608 HydrophobicContact CG-CH2 4.41Å; E590-W608 HydrophobicContact CG-CZ2 3.82Å; L593-W608 HydrophobicContact CD1-CH2 3.3Å; L593-W608 HydrophobicContact CD1-CZ2 3.88Å; L593-W608 HydrophobicContact CD1-CZ3 4.05Å; L593-W608 HydrophobicContact CG-CH2 3.99Å; V602-W608 HydrophobicContact CG1-CD2 4.42Å; V602-W608 HydrophobicContact CG1-CG 4.39Å; V602-W608 HydrophobicContact CG2-CH2 4.25Å; V602-W608 HydrophobicContact CG2-CZ2 3.92Å
609	D	92.1	Very high	91.2	Very high	116 Å²	116	65.2 Å²	65.2	62%	0.62	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	5	-177.2	-56.9	-39	0	0	0	113.1	R567 G607 E611	R567-D609 IonicContact CZ-OD1 3.48Å; R567-D609 VanDerWaalsContact CZ-OD1 3.28Å; R567-D609 IonicContact NH1-OD1 3.13Å; R567-D609 PolarHBondContact NH1-OD1 3.32Å; R567-D609 IonicContact NH2-OD1 3.92Å; R567-D609 PolarHBondContact NH2-OD1 3.31Å; G607-D609 VanDerWaalsContact C-N 3.34Å; G607-D609 PolarHBondContact O-N 3.39Å; D609-E611 PolarHBondContact O-N 2.92Å
610	A	92.6	Very high	91.1	Very high	15 Å²	15	62.6 Å²	62.6	12%	0.124	35%	0.353	C	S	.	.			trans	-62.8	128.3	176.9	0	0	0	0	0	110.4	S565 L566 E605 G607 W614	S565-A610 CarbonylContact C-O 3.56Å; S565-A610 WeakPolarHBondContact CA-O 3.36Å; L566-A610 PolarHBondContact N-O 3.2Å; E605-A610 WeakPolarHBondContact O-CB 3.49Å; G607-A610 WeakPolarHBondContact O-CB 3.44Å; G607-A610 PolarHBondContact O-N 3.33Å; A610-W614 HydrophobicContact CB-CH2 4.45Å; A610-W614 HydrophobicContact CB-CZ2 4.42Å; A610-W614 VanDerWaalsContact O-CZ2 3.28Å; A610-W614 WeakPolarHBondContact O-CZ2 3.2Å
611	E	93.6	Very high	91.1	Very high	152 Å²	152	59.1 Å²	59.1	71%	0.71	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-110	110.8	175.3	-69.1	-174.2	179.4	0	0	109.7	D609	D609-E611 PolarHBondContact O-N 2.92Å
612	L	91.4	Very high	91.2	Very high	70 Å²	70	59.8 Å²	59.8	37%	0.366	34%	0.343	S	S	.	.			trans	-136.5	165.9	-176.8	-62.9	171.8	0	0	0	110.3	E605 W614 V617	E605-L612 HydrophobicContact CB-CD1 3.96Å; E605-L612 HydrophobicContact CG-CD1 4.33Å; E605-L612 WeakPolarHBondContact OE2-CD1 3.33Å; L612-W614 HydrophobicContact CB-CD2 4.45Å; L612-W614 HydrophobicContact CB-CZ2 4.37Å; L612-W614 HydrophobicContact CD1-CH2 4.09Å; L612-W614 HydrophobicContact CD1-CZ3 4.3Å; L612-W614 PolarHBondContact O-N 2.94Å; L612-V617 HydrophobicContact CB-CG2 4.16Å; L612-V617 HydrophobicContact CD1-CG1 4.46Å; L612-V617 HydrophobicContact CD1-CG2 4.44Å
613	D	90.6	Very high	91.4	Very high	86 Å²	86	61.4 Å²	61.4	46%	0.46	35%	0.348	S	S	.	.			trans	-76.8	81.4	166.8	-164.4	-16.7	0	0	0	109.7	K615 D616 V617	D613-K615 PolarHBondContact O-N 3.32Å; D613-K615 WeakPolarHBondContact OD1-CB 3.47Å; D613-K615 PolarHBondContact OD1-N 3.48Å; D613-D616 PolarHBondContact O-N 3.31Å; D613-V617 WeakPolarHBondContact O-CG2 3.45Å; D613-V617 PolarHBondContact O-N 2.7Å
614	W	92.9	Very high	91.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-55.6	-23.3	-177.5	-62.8	109.7	0	0	0	113.7	M561 G564 L566 Q569 I601 E605 A610 L612 D616 L618	M561-W614 HydrophobicContact CB-CB 4.04Å; M561-W614 HydrophobicContact CG-CB 4.39Å; G564-W614 PolarHBondContact O-NE1 2.91Å; L566-W614 HydrophobicContact CB-CH2 3.68Å; L566-W614 HydrophobicContact CB-CZ2 3.55Å; L566-W614 HydrophobicContact CD1-CE3 4.44Å; L566-W614 HydrophobicContact CD1-CH2 3.78Å; L566-W614 HydrophobicContact CD1-CZ2 4.18Å; L566-W614 HydrophobicContact CD1-CZ3 3.92Å; L566-W614 HydrophobicContact CD2-CH2 4.45Å; L566-W614 HydrophobicContact CG-CH2 4.16Å; L566-W614 HydrophobicContact CG-CZ2 4.42Å; Q569-W614 HydrophobicContact CG-CB 4.43Å; Q569-W614 HydrophobicContact CG-CD2 4.08Å; Q569-W614 HydrophobicContact CG-CG 3.83Å; I601-W614 HydrophobicContact CG2-CZ3 4.47Å; E605-W614 HydrophobicContact CB-CH2 4.02Å; E605-W614 HydrophobicContact CB-CZ3 4.24Å; E605-W614 HydrophobicContact CG-CH2 4.36Å; E605-W614 HydrophobicContact CG-CZ3 4.06Å; A610-W614 HydrophobicContact CB-CH2 4.45Å; A610-W614 HydrophobicContact CB-CZ2 4.42Å; A610-W614 VanDerWaalsContact O-CZ2 3.28Å; A610-W614 WeakPolarHBondContact O-CZ2 3.2Å; L612-W614 HydrophobicContact CB-CD2 4.45Å; L612-W614 HydrophobicContact CB-CZ2 4.37Å; L612-W614 HydrophobicContact CD1-CH2 4.09Å; L612-W614 HydrophobicContact CD1-CZ3 4.3Å; L612-W614 PolarHBondContact O-N 2.94Å; W614-D616 VanDerWaalsContact C-N 3.29Å; W614-D616 PolarHBondContact O-N 2.95Å; W614-L618 HydrophobicContact CB-CD1 4.39Å; W614-L618 HydrophobicContact CE3-CD1 4.26Å; W614-L618 HydrophobicContact CE3-CD2 4.19Å; W614-L618 HydrophobicContact CE3-CG 4.06Å; W614-L618 HydrophobicContact CZ3-CD2 4.48Å; W614-L618 WeakPolarHBondContact O-CB 3.26Å; W614-L618 WeakPolarHBondContact O-CG 3.36Å; W614-L618 PolarHBondContact O-N 3.43Å
615	K	89.9	Confident	91.7	Very high	127 Å²	127	53 Å²	53	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-65.1	-34.4	174.9	-173.8	-169.1	166	-156.7	0	111.4	D613 K623	D613-K615 PolarHBondContact O-N 3.32Å; D613-K615 WeakPolarHBondContact OD1-CB 3.47Å; D613-K615 PolarHBondContact OD1-N 3.48Å; K615-K623 WeakPolarHBondContact O-CE 3.39Å; K615-K623 PolarHBondContact O-NZ 3.24Å
616	D	87.6	Confident	92	Very high	121 Å²	121	50.8 Å²	50.8	65%	0.647	30%	0.295	S	S	*	.	H	α-helix	trans	-100.2	-28.1	-177.5	-66.2	-11.9	0	0	0	111.7	D613 W614	D613-D616 PolarHBondContact O-N 3.31Å; W614-D616 VanDerWaalsContact C-N 3.29Å; W614-D616 PolarHBondContact O-N 2.95Å
617	V	90.9	Very high	92.4	Very high	52 Å²	52	47.8 Å²	47.8	32%	0.315	26%	0.264	S	S	.	.	H	α-helix	trans	-72.8	-40.1	179.2	173.9	0	0	0	0	112.9	E605 L612 D613	E605-V617 HydrophobicContact CG-CG1 4.4Å; E605-V617 WeakPolarHBondContact OE1-CG1 3.38Å; L612-V617 HydrophobicContact CB-CG2 4.16Å; L612-V617 HydrophobicContact CD1-CG1 4.46Å; L612-V617 HydrophobicContact CD1-CG2 4.44Å; D613-V617 WeakPolarHBondContact O-CG2 3.45Å; D613-V617 PolarHBondContact O-N 2.7Å
618	L	92.2	Very high	92.5	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	25%	0.254	C	S	.	.	S	Bend	trans	-84.4	134	-177.5	-61.3	179.4	0	0	0	111.8	M561 I601 W614 E622 K623	M561-L618 HydrophobicContact SD-CD1 3.84Å; I601-L618 HydrophobicContact CD1-CD2 3.85Å; I601-L618 HydrophobicContact CG2-CD2 4.29Å; W614-L618 HydrophobicContact CB-CD1 4.39Å; W614-L618 HydrophobicContact CE3-CD1 4.26Å; W614-L618 HydrophobicContact CE3-CD2 4.19Å; W614-L618 HydrophobicContact CE3-CG 4.06Å; W614-L618 HydrophobicContact CZ3-CD2 4.48Å; W614-L618 WeakPolarHBondContact O-CB 3.26Å; W614-L618 WeakPolarHBondContact O-CG 3.36Å; W614-L618 PolarHBondContact O-N 3.43Å; L618-E622 HydrophobicContact CB-CB 4.31Å; L618-E622 HydrophobicContact CD2-CB 4.37Å; L618-K623 HydrophobicContact CB-CG 3.71Å; L618-K623 HydrophobicContact CD1-CG 4.48Å; L618-K623 WeakPolarHBondContact O-CE 3.3Å; L618-K623 PolarHBondContact O-NZ 3.1Å
619	S	91.9	Very high	92.7	Very high	59 Å²	59	46 Å²	46	41%	0.413	25%	0.251	S	S	.	.			trans	-66	161.2	169.8	67.7	0	0	0	0	111.7	G621 E622 K623	S619-G621 VanDerWaalsContact C-N 3.29Å; S619-G621 PolarHBondContact O-N 2.98Å; S619-E622 VanDerWaalsContact CB-OE2 3.27Å; S619-E622 WeakPolarHBondContact CB-OE2 3.41Å; S619-E622 PolarHBondContact N-OE2 3.48Å; S619-E622 PolarHBondContact O-N 3.4Å; S619-E622 VanDerWaalsContact O-N 3.16Å; S619-E622 WeakPolarHBondContact OG-CB 3.33Å; S619-E622 WeakPolarHBondContact OG-CG 3.29Å; S619-E622 PolarHBondContact OG-N 3.34Å; S619-E622 PolarHBondContact OG-OE2 3.18Å; S619-K623 WeakPolarHBondContact O-CG 3.38Å; S619-K623 PolarHBondContact O-N 3.42Å
620	G	89.8	Confident	92.9	Very high	42 Å²	42	41.2 Å²	41.2	43%	0.433	22%	0.224	S	C	.	.	H	α-helix	trans	-56.9	-39.9	179.4	0	0	0	0	0	113.7	Q624	G620-Q624 PolarHBondContact O-N 2.95Å
621	G	92.1	Very high	93	Very high	9 Å²	9	40.5 Å²	40.5	9%	0.093	22%	0.218	C	C	.	.	H	α-helix	trans	-69.6	-38.6	176.3	0	0	0	0	0	113	S619 Q624 R625 A647	S619-G621 VanDerWaalsContact C-N 3.29Å; S619-G621 PolarHBondContact O-N 2.98Å; G621-Q624 PolarHBondContact O-N 3.4Å; G621-R625 WeakPolarHBondContact O-CG 3.38Å; G621-R625 PolarHBondContact O-N 3.42Å; G621-R625 VanDerWaalsContact O-N 3.07Å; G621-A647 WeakPolarHBondContact CA-O 3.45Å
622	E	94.3	Very high	93.1	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-42.1	174.9	-70.3	163.7	144.6	0	0	111.6	L598 H600 I601 R604 L618 S619 Q624 R625 M626	L598-E622 HydrophobicContact CD2-CB 4.27Å; L598-E622 HydrophobicContact CD2-CG 4.05Å; H600-E622 IonicContact NE2-OE1 3.58Å; I601-E622 HydrophobicContact CD1-CB 4.21Å; I601-E622 HydrophobicContact CD1-CG 4.02Å; R604-E622 IonicContact CZ-OE1 3.9Å; R604-E622 IonicContact NH1-OE1 3.29Å; R604-E622 PolarHBondContact NH1-OE1 2.93Å; R604-E622 IonicContact NH2-OE1 2.79Å; L618-E622 HydrophobicContact CB-CB 4.31Å; L618-E622 HydrophobicContact CD2-CB 4.37Å; S619-E622 VanDerWaalsContact CB-OE2 3.27Å; S619-E622 WeakPolarHBondContact CB-OE2 3.41Å; S619-E622 PolarHBondContact N-OE2 3.48Å; S619-E622 PolarHBondContact O-N 3.4Å; S619-E622 VanDerWaalsContact O-N 3.16Å; S619-E622 WeakPolarHBondContact OG-CB 3.33Å; S619-E622 WeakPolarHBondContact OG-CG 3.29Å; S619-E622 PolarHBondContact OG-N 3.34Å; S619-E622 PolarHBondContact OG-OE2 3.18Å; E622-Q624 VanDerWaalsContact C-N 3.31Å; E622-Q624 PolarHBondContact O-N 3.48Å; E622-R625 PolarHBondContact O-N 3.02Å; E622-M626 WeakPolarHBondContact O-CB 3.34Å; E622-M626 PolarHBondContact O-N 3.39Å
623	K	94.9	Very high	93.3	Very high	46 Å²	46	30.7 Å²	30.7	20%	0.2	17%	0.17	C	C	.	.	H	α-helix	trans	-57.6	-42.3	175	-72.9	170	179.3	141.7	0	112.4	P559 M561 K615 L618 S619 M626 G627	P559-K623 HydrophobicContact CB-CB 4.46Å; P559-K623 WeakPolarHBondContact CB-O 3.31Å; P559-K623 WeakPolarHBondContact CG-O 3.42Å; M561-K623 HydrophobicContact CE-CB 3.94Å; M561-K623 HydrophobicContact CE-CG 4.08Å; M561-K623 HydrophobicContact CG-CG 4.26Å; M561-K623 HydrophobicContact SD-CG 4.27Å; K615-K623 WeakPolarHBondContact O-CE 3.39Å; K615-K623 PolarHBondContact O-NZ 3.24Å; L618-K623 HydrophobicContact CB-CG 3.71Å; L618-K623 HydrophobicContact CD1-CG 4.48Å; L618-K623 WeakPolarHBondContact O-CE 3.3Å; L618-K623 PolarHBondContact O-NZ 3.1Å; S619-K623 WeakPolarHBondContact O-CG 3.38Å; S619-K623 PolarHBondContact O-N 3.42Å; K623-M626 WeakPolarHBondContact O-CB 3.4Å; K623-M626 PolarHBondContact O-N 3.33Å; K623-G627 PolarHBondContact O-N 2.88Å; K623-G627 VanDerWaalsContact O-N 3.14Å
624	Q	94.4	Very high	93.5	Very high	11 Å²	11	28 Å²	28	5%	0.051	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-45.7	176.1	-84	-176.2	-6.7	0	0	112.3	P559 G620 G621 E622 M626 G627 M628 C644 S646 V648	P559-Q624 HydrophobicContact CG-CG 4.07Å; G620-Q624 PolarHBondContact O-N 2.95Å; G621-Q624 PolarHBondContact O-N 3.4Å; E622-Q624 VanDerWaalsContact C-N 3.31Å; E622-Q624 PolarHBondContact O-N 3.48Å; Q624-M626 VanDerWaalsContact C-N 3.29Å; Q624-M626 PolarHBondContact O-N 3.34Å; Q624-G627 PolarHBondContact O-N 3.35Å; Q624-G627 VanDerWaalsContact O-N 3.14Å; Q624-M628 PolarHBondContact O-N 3.45Å; Q624-C644 VanDerWaalsContact CB-O 3.26Å; Q624-C644 WeakPolarHBondContact CB-O 3.47Å; Q624-C644 VanDerWaalsContact CD-O 3.31Å; Q624-C644 WeakPolarHBondContact CG-O 3.42Å; Q624-C644 PolarHBondContact OE1-O 3.01Å; Q624-S646 PolarHBondContact NE2-OG 2.85Å; Q624-V648 HydrophobicContact CB-CG2 4.12Å
625	R	94.9	Very high	93.5	Very high	33 Å²	33	35.3 Å²	35.3	13%	0.125	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-31.1	175.9	-67.6	-169.3	-53.6	-102.9	0.1	112.6	V596 L598 G621 E622 G627 M628 A629 V648 I656	V596-R625 HydrophobicContact CB-CB 4.37Å; V596-R625 VanDerWaalsContact O-CD 3.24Å; V596-R625 WeakPolarHBondContact O-CD 3.35Å; L598-R625 HydrophobicContact CD1-CB 3.71Å; L598-R625 HydrophobicContact CD2-CB 4.01Å; L598-R625 VanDerWaalsContact CD2-NE 3.33Å; L598-R625 HydrophobicContact CG-CB 3.89Å; G621-R625 WeakPolarHBondContact O-CG 3.38Å; G621-R625 PolarHBondContact O-N 3.42Å; G621-R625 VanDerWaalsContact O-N 3.07Å; E622-R625 PolarHBondContact O-N 3.02Å; R625-G627 VanDerWaalsContact C-N 3.33Å; R625-M628 WeakPolarHBondContact O-CB 3.46Å; R625-M628 PolarHBondContact O-N 3.21Å; R625-M628 VanDerWaalsContact O-N 3.14Å; R625-A629 PolarHBondContact O-N 3.05Å; R625-V648 HydrophobicContact CG-CG1 4.32Å; R625-V648 HydrophobicContact CG-CG2 3.88Å; R625-I656 HydrophobicContact CG-CD1 4.27Å
626	M	95.6	Very high	93.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-39	172.3	-172	58.7	73	0	0	111.4	M561 L566 Q569 V570 L593 L598 E622 K623 Q624 M628 A629 R630	M561-M626 HydrophobicContact CE-CB 4.39Å; M561-M626 HydrophobicContact CE-CG 4.49Å; M561-M626 HydrophobicContact SD-CG 4.4Å; L566-M626 HydrophobicContact CD1-CE 3.98Å; Q569-M626 HydrophobicContact CB-CE 4.28Å; Q569-M626 HydrophobicContact CB-CG 4.17Å; Q569-M626 HydrophobicContact CB-SD 4.01Å; V570-M626 HydrophobicContact CG2-CE 4.29Å; V570-M626 HydrophobicContact CG2-SD 3.66Å; L593-M626 HydrophobicContact CD2-CE 4.4Å; L598-M626 HydrophobicContact CD1-CB 4.29Å; L598-M626 HydrophobicContact CD1-CE 4.15Å; E622-M626 WeakPolarHBondContact O-CB 3.34Å; E622-M626 PolarHBondContact O-N 3.39Å; K623-M626 WeakPolarHBondContact O-CB 3.4Å; K623-M626 PolarHBondContact O-N 3.33Å; Q624-M626 VanDerWaalsContact C-N 3.29Å; Q624-M626 PolarHBondContact O-N 3.34Å; M626-M628 VanDerWaalsContact C-N 3.27Å; M626-M628 PolarHBondContact O-N 2.97Å; M626-A629 WeakPolarHBondContact O-CB 3.37Å; M626-A629 PolarHBondContact O-N 3.43Å; M626-A629 HydrophobicContact SD-CB 4.29Å; M626-R630 PolarHBondContact O-N 2.95Å; M626-R630 VanDerWaalsContact O-N 3.1Å
627	G	94.7	Very high	94	Very high	4 Å²	4	26.9 Å²	26.9	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-57.4	-40.3	170.2	0	0	0	0	0	112.8	I555 K623 Q624 R625 R630 M631	I555-G627 WeakPolarHBondContact CD1-O 3.12Å; K623-G627 PolarHBondContact O-N 2.88Å; K623-G627 VanDerWaalsContact O-N 3.14Å; Q624-G627 PolarHBondContact O-N 3.35Å; Q624-G627 VanDerWaalsContact O-N 3.14Å; R625-G627 VanDerWaalsContact C-N 3.33Å; G627-R630 WeakPolarHBondContact O-CB 3.43Å; G627-R630 PolarHBondContact O-N 3.25Å; G627-M631 PolarHBondContact O-N 3.47Å
628	M	94.6	Very high	94.2	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	13%	0.13	C	C	.	.	H	α-helix	trans	-68.4	-38.4	175.2	-61.6	-65.7	-163	0	0	112.4	I555 V596 Q624 R625 M626 R630 M631 F632 L641 C644 T645 I656 F657	I555-M628 HydrophobicContact CD1-CG 4.46Å; I555-M628 HydrophobicContact CD1-SD 3.52Å; I555-M628 VanDerWaalsContact CD1-SD 3.52Å; V596-M628 HydrophobicContact CG1-CB 3.89Å; Q624-M628 PolarHBondContact O-N 3.45Å; R625-M628 WeakPolarHBondContact O-CB 3.46Å; R625-M628 PolarHBondContact O-N 3.21Å; R625-M628 VanDerWaalsContact O-N 3.14Å; M626-M628 VanDerWaalsContact C-N 3.27Å; M626-M628 PolarHBondContact O-N 2.97Å; M628-R630 VanDerWaalsContact C-N 3.27Å; M628-R630 PolarHBondContact O-N 2.99Å; M628-M631 WeakPolarHBondContact O-CB 3.42Å; M628-M631 PolarHBondContact O-N 2.87Å; M628-M631 VanDerWaalsContact O-N 3.12Å; M628-M631 HydrophobicContact SD-CE 4.45Å; M628-F632 WeakPolarHBondContact O-CD2 3.44Å; M628-F632 PolarHBondContact O-N 2.93Å; M628-F632 VanDerWaalsContact O-N 3.08Å; M628-L641 HydrophobicContact CE-CD2 4.46Å; M628-L641 HydrophobicContact SD-CD2 4.25Å; M628-C644 HydrophobicContact CE-CB 4.23Å; M628-C644 WeakPolarHBondContact CE-SG 3.41Å; M628-T645 HydrophobicContact CE-CG2 3.55Å; M628-I656 HydrophobicContact CB-CG2 4.18Å; M628-I656 HydrophobicContact CE-CG2 4.4Å; M628-I656 HydrophobicContact CG-CG2 4.04Å; M628-I656 HydrophobicContact SD-CG2 4.16Å; M628-F657 HydrophobicContact CE-CE2 4.13Å
629	A	95.8	Very high	94.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.2	-43.1	174.5	0	0	0	0	0	111.1	V570 I592 L593 V596 R625 M626 M631 F632 Y633	V570-A629 HydrophobicContact CG1-CB 4.33Å; I592-A629 HydrophobicContact CG2-CB 3.91Å; I592-A629 WeakPolarHBondContact CG2-O 3.3Å; L593-A629 HydrophobicContact CD2-CB 4.12Å; V596-A629 HydrophobicContact CG2-CB 3.98Å; R625-A629 PolarHBondContact O-N 3.05Å; M626-A629 WeakPolarHBondContact O-CB 3.37Å; M626-A629 PolarHBondContact O-N 3.43Å; M626-A629 HydrophobicContact SD-CB 4.29Å; A629-M631 VanDerWaalsContact C-N 3.34Å; A629-M631 PolarHBondContact O-N 3.41Å; A629-F632 PolarHBondContact O-N 3.44Å; A629-Y633 PolarHBondContact O-N 2.91Å
630	R	95.8	Very high	94.5	Very high	14 Å²	14	21.6 Å²	21.6	5%	0.053	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-42.9	174.8	-65.1	174	-177.2	166.3	3.5	112.3	F553 Y560 Q569 V570 M626 G627 M628 F632 Y633 H634	F553-R630 HydrophobicContact CE1-CB 3.79Å; F553-R630 HydrophobicContact CZ-CB 3.64Å; Y560-R630 VanDerWaalsContact O-CZ 3.3Å; Y560-R630 PolarHBondContact O-NH1 3.46Å; Y560-R630 PolarHBondContact O-NH2 3.43Å; Q569-R630 PolarHBondContact O-NE 3.46Å; Q569-R630 PolarHBondContact O-NH2 3.16Å; V570-R630 WeakPolarHBondContact O-CG 3.13Å; M626-R630 PolarHBondContact O-N 2.95Å; M626-R630 VanDerWaalsContact O-N 3.1Å; G627-R630 WeakPolarHBondContact O-CB 3.43Å; G627-R630 PolarHBondContact O-N 3.25Å; M628-R630 VanDerWaalsContact C-N 3.27Å; M628-R630 PolarHBondContact O-N 2.99Å; R630-F632 VanDerWaalsContact C-N 3.31Å; R630-F632 PolarHBondContact O-N 3.4Å; R630-Y633 WeakPolarHBondContact O-CB 3.48Å; R630-Y633 PolarHBondContact O-N 3.45Å; R630-H634 PolarHBondContact O-CD2 2.92Å; R630-H634 PolarHBondContact O-N 2.92Å
631	M	95.4	Very high	94.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-59.7	-42.9	176.3	178.5	-163.9	72.7	0	0	111.6	F553 I555 G627 M628 A629 H634 K635 P636 A639 L641 A660 I665	F553-M631 HydrophobicContact CD1-CB 3.89Å; F553-M631 HydrophobicContact CD1-CG 4.43Å; F553-M631 HydrophobicContact CE1-CB 4.3Å; I555-M631 HydrophobicContact CD1-CB 3.97Å; I555-M631 HydrophobicContact CD1-SD 4.34Å; G627-M631 PolarHBondContact O-N 3.47Å; M628-M631 WeakPolarHBondContact O-CB 3.42Å; M628-M631 PolarHBondContact O-N 2.87Å; M628-M631 VanDerWaalsContact O-N 3.12Å; M628-M631 HydrophobicContact SD-CE 4.45Å; A629-M631 VanDerWaalsContact C-N 3.34Å; A629-M631 PolarHBondContact O-N 3.41Å; M631-H634 PolarHBondContact O-N 3.32Å; M631-K635 PolarHBondContact O-N 2.88Å; M631-P636 HydrophobicContact CG-CG 4.04Å; M631-P636 WeakPolarHBondContact O-CD 3.44Å; M631-A639 HydrophobicContact CG-CB 4.09Å; M631-A639 HydrophobicContact SD-CB 3.47Å; M631-A639 WeakPolarHBondContact SD-CB 3.1Å; M631-L641 HydrophobicContact SD-CD2 4.22Å; M631-A660 HydrophobicContact CE-CB 3.76Å; M631-I665 HydrophobicContact CE-CD1 4.25Å; M631-I665 HydrophobicContact CG-CD1 4.32Å; M631-I665 HydrophobicContact SD-CD1 4.48Å
632	F	95.8	Very high	94.9	Very high	13 Å²	13	19.4 Å²	19.4	6%	0.057	9%	0.086	C	C	.	.	H	α-helix	trans	-68.4	-34.3	176.9	-73	-63.2	0	0	0	113.5	I592 I595 V596 M628 A629 R630 K635 I656 A659 A660	I592-F632 HydrophobicContact CG1-CB 4.29Å; I592-F632 HydrophobicContact CG2-CB 3.82Å; I595-F632 HydrophobicContact CG2-CD2 4.27Å; I595-F632 HydrophobicContact CG2-CE1 4.39Å; I595-F632 HydrophobicContact CG2-CE2 3.74Å; I595-F632 HydrophobicContact CG2-CZ 3.81Å; V596-F632 HydrophobicContact CG1-CD2 3.85Å; V596-F632 HydrophobicContact CG1-CE2 3.79Å; M628-F632 WeakPolarHBondContact O-CD2 3.44Å; M628-F632 PolarHBondContact O-N 2.93Å; M628-F632 VanDerWaalsContact O-N 3.08Å; A629-F632 PolarHBondContact O-N 3.44Å; R630-F632 VanDerWaalsContact C-N 3.31Å; R630-F632 PolarHBondContact O-N 3.4Å; F632-K635 WeakPolarHBondContact O-CG 3.43Å; F632-I656 HydrophobicContact CE2-CG2 4.06Å; F632-I656 HydrophobicContact CZ-CG2 4.29Å; F632-A659 HydrophobicContact CE1-CB 4.23Å; F632-A659 HydrophobicContact CZ-CB 4.01Å; F632-A660 HydrophobicContact CE1-CB 4.11Å; F632-A660 HydrophobicContact CZ-CB 4.12Å
633	Y	95.4	Very high	94.7	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-46.2	172.6	172.2	-97.9	0	0	0	111.3	I571 D574 M579 R582 L584 L589 I592 A629 R630	I571-Y633 HydrophobicContact CB-CD1 4.48Å; I571-Y633 HydrophobicContact CB-CE1 3.94Å; I571-Y633 HydrophobicContact CB-CE2 4.21Å; I571-Y633 HydrophobicContact CG2-CD2 4.14Å; I571-Y633 HydrophobicContact CG2-CE1 4.28Å; I571-Y633 HydrophobicContact CG2-CE2 3.64Å; I571-Y633 WeakPolarHBondContact O-CE1 3.32Å; D574-Y633 HydrophobicContact CB-CE1 4.1Å; D574-Y633 WeakPolarHBondContact OD2-CE1 3.2Å; D574-Y633 PolarHBondContact OD2-OH 3.11Å; M579-Y633 WeakPolarHBondContact CA-OH 3.45Å; M579-Y633 WeakPolarHBondContact CB-OH 3.45Å; M579-Y633 HydrophobicContact CG-CE2 4.34Å; R582-Y633 VanDerWaalsContact NH1-CE1 3.29Å; L584-Y633 HydrophobicContact CD1-CD2 3.85Å; L584-Y633 HydrophobicContact CD1-CE2 3.38Å; L589-Y633 HydrophobicContact CD2-CD2 3.61Å; L589-Y633 HydrophobicContact CD2-CE2 3.97Å; I592-Y633 HydrophobicContact CD1-CD2 4.47Å; A629-Y633 PolarHBondContact O-N 2.91Å; R630-Y633 WeakPolarHBondContact O-CB 3.48Å; R630-Y633 PolarHBondContact O-N 3.45Å
634	H	94.3	Very high	94.4	Very high	29 Å²	29	18.5 Å²	18.5	13%	0.134	8%	0.083	C	C	.	.	H	α-helix	trans	-76.8	-26.6	-176.4	-75.1	-63.2	0	0	0	114.5	F553 I571 Y572 P573 D574 R582 R630 M631	F553-H634 HydrophobicContact CD2-CB 4.03Å; F553-H634 AromaticContact CD2-CD2 3.93Å; F553-H634 HydrophobicContact CE2-CB 4.22Å; F553-H634 AromaticContact CE2-CD2 3.22Å; F553-H634 WeakPolarHBondContact CE2-CD2 3.47Å; F553-H634 AromaticContact CE2-CG 3.8Å; F553-H634 AromaticContact CE2-NE2 3.95Å; F553-H634 AromaticContact CZ-CD2 3.69Å; I571-H634 PolarHBondContact O-NE2 3.46Å; Y572-H634 PolarHBondContact O-NE2 3.43Å; Y572-H634 VanDerWaalsContact O-NE2 3.12Å; P573-H634 WeakPolarHBondContact CD-NE2 3.29Å; D574-H634 IonicContact OD1-CE1 2.81Å; D574-H634 IonicContact OD2-CE1 3.32Å; D574-H634 PolarHBondContact OD2-CE1 3.4Å; D574-H634 IonicContact OD2-ND1 3.98Å; R582-H634 PolarHBondContact NH1-ND1 3.35Å; R582-H634 PolarHBondContact NH2-O 2.96Å; R630-H634 PolarHBondContact O-CD2 2.92Å; R630-H634 PolarHBondContact O-N 2.92Å; M631-H634 PolarHBondContact O-N 3.32Å
635	K	93.4	Very high	94.1	Very high	157 Å²	157	18.2 Å²	18.2	68%	0.683	8%	0.082	S	C	*	.			trans	50.6	56.2	-178.8	-57.8	-177.5	-178.8	174.8	0	113	M631 F632	M631-K635 PolarHBondContact O-N 2.88Å; F632-K635 WeakPolarHBondContact O-CG 3.43Å
636	P	94.3	Very high	93.7	Very high	7 Å²	7	19.7 Å²	19.7	5%	0.045	10%	0.097	C	C	.	.			trans	-68.3	159.7	178.8	34.9	-40.5	0	0	0	111.5	F553 M631 A639 I665	F553-P636 HydrophobicContact CB-CB 3.74Å; F553-P636 HydrophobicContact CB-CG 3.56Å; M631-P636 HydrophobicContact CG-CG 4.04Å; M631-P636 WeakPolarHBondContact O-CD 3.44Å; P636-A639 HydrophobicContact CG-CB 4.49Å; P636-I665 HydrophobicContact CG-CG2 4.21Å
637	K	93.3	Very high	93.2	Very high	64 Å²	64	22.3 Å²	22.3	28%	0.278	12%	0.119	S	C	.	.	S	Bend	trans	-73.1	-37.6	168.8	-64.2	-172.6	179.2	-173.9	0	111.8	D484 E512 H551 S666	D484-K637 PolarHBondContact O-NZ 3.24Å; E512-K637 IonicContact OE1-NZ 2.73Å; E512-K637 PolarHBondContact OE1-NZ 3.46Å; H551-K637 HydrophobicContact CB-CB 4.26Å; H551-K637 HydrophobicContact CB-CD 4.13Å; H551-K637 HydrophobicContact CB-CG 4.15Å; H551-K637 PolarHBondContact O-N 3.44Å; K637-S666 WeakPolarHBondContact O-CB 3.35Å; K637-S666 PolarHBondContact O-N 2.75Å
638	Y	94.8	Very high	92.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.7	179.7	-62.4	-86.6	0	0	0	110.7	G486 I487 V510 E512 P547 H551 M552 F553 S666 L668	G486-Y638 VanDerWaalsContact CA-OH 3.26Å; G486-Y638 WeakPolarHBondContact CA-OH 3.42Å; G486-Y638 PolarHBondContact N-OH 3.33Å; I487-Y638 HydrophobicContact CD1-CD1 4.14Å; I487-Y638 HydrophobicContact CD1-CG 4.29Å; V510-Y638 HydrophobicContact CG1-CE1 4.49Å; E512-Y638 HydrophobicContact CG-CE2 4.39Å; E512-Y638 WeakPolarHBondContact CG-OH 3.45Å; E512-Y638 PolarHBondContact N-OH 2.77Å; P547-Y638 HydrophobicContact CG-CD2 3.78Å; P547-Y638 HydrophobicContact CG-CE2 3.62Å; H551-Y638 PolarHBondContact O-N 3.07Å; M552-Y638 CarbonylContact C-O 3.59Å; M552-Y638 WeakPolarHBondContact CA-O 3.21Å; F553-Y638 PolarHBondContact N-O 2.87Å; Y638-S666 WeakPolarHBondContact CA-O 3.21Å; Y638-L668 HydrophobicContact CD1-CD1 3.99Å
639	A	95.4	Very high	92.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.8	172.3	0	0	0	0	0	110.6	F553 M631 P636 L641 I665 S666 L667 L668	F553-A639 WeakPolarHBondContact O-CA 3.46Å; M631-A639 HydrophobicContact CG-CB 4.09Å; M631-A639 HydrophobicContact SD-CB 3.47Å; M631-A639 WeakPolarHBondContact SD-CB 3.1Å; P636-A639 HydrophobicContact CG-CB 4.49Å; A639-L641 HydrophobicContact CB-CD2 4.22Å; A639-L641 HydrophobicContact CB-CG 4.41Å; A639-I665 HydrophobicContact CB-CG2 3.64Å; A639-S666 PolarHBondContact N-O 2.95Å; A639-L667 HydrophobicContact CB-CD2 4.16Å; A639-L668 PolarHBondContact O-N 3.1Å
640	L	95.6	Very high	92.3	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.2	176.3	-74.4	76.2	0	0	0	108.4	F530 L533 M552 F553 Y554 I555 L668	F530-L640 HydrophobicContact CB-CD2 4.44Å; F530-L640 HydrophobicContact CD1-CD2 3.86Å; F530-L640 HydrophobicContact CD1-CG 4.4Å; F530-L640 HydrophobicContact CD2-CB 4.36Å; F530-L640 HydrophobicContact CE1-CB 4.5Å; F530-L640 HydrophobicContact CE1-CD2 4.24Å; F530-L640 HydrophobicContact CE1-CG 4.32Å; F530-L640 HydrophobicContact CE2-CB 4.26Å; F530-L640 HydrophobicContact CG-CD2 4.14Å; F530-L640 HydrophobicContact CZ-CB 4.33Å; L533-L640 HydrophobicContact CB-CD2 3.8Å; L533-L640 HydrophobicContact CD1-CD2 3.98Å; M552-L640 HydrophobicContact CE-CD1 3.54Å; M552-L640 HydrophobicContact CE-CD2 4.27Å; F553-L640 PolarHBondContact O-N 2.88Å; Y554-L640 HydrophobicContact CD2-CB 3.74Å; I555-L640 PolarHBondContact N-O 3.22Å; L640-L668 WeakPolarHBondContact CA-O 3.49Å; L640-L668 HydrophobicContact CG-CB 4.45Å
641	L	95.3	Very high	91.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	98.9	-166.7	-60.8	-175.7	0	0	0	110.3	I555 M628 M631 A639 E643 F657 L667 L668 S669 I670	I555-L641 HydrophobicContact CB-CD2 4.09Å; I555-L641 HydrophobicContact CD1-CD2 3.45Å; I555-L641 VanDerWaalsContact CD1-CD2 3.45Å; I555-L641 HydrophobicContact CG1-CD2 3.84Å; M628-L641 HydrophobicContact CE-CD2 4.46Å; M628-L641 HydrophobicContact SD-CD2 4.25Å; M631-L641 HydrophobicContact SD-CD2 4.22Å; A639-L641 HydrophobicContact CB-CD2 4.22Å; A639-L641 HydrophobicContact CB-CG 4.41Å; L641-E643 PolarHBondContact O-N 3.42Å; L641-F657 HydrophobicContact CD1-CE1 3.87Å; L641-F657 HydrophobicContact CD1-CE2 4.46Å; L641-F657 HydrophobicContact CD1-CZ 3.67Å; L641-L667 HydrophobicContact CD1-CD2 4.16Å; L641-L668 PolarHBondContact N-O 2.95Å; L641-S669 WeakPolarHBondContact O-CA 3.47Å; L641-I670 PolarHBondContact O-N 3.32Å
642	D	94.3	Very high	91.5	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	92.7	-176.3	-161.6	0	0	0	0	110.7	S527 F530 Y554 I555 Q557 C644 I670	S527-D642 WeakPolarHBondContact CB-OD2 3.5Å; S527-D642 PolarHBondContact OG-OD1 3Å; S527-D642 VanDerWaalsContact OG-OD1 3.07Å; S527-D642 PolarHBondContact OG-OD2 3.08Å; F530-D642 HydrophobicContact CD2-CB 3.94Å; F530-D642 HydrophobicContact CE2-CB 4.25Å; Y554-D642 HydrophobicContact CE2-CB 4.02Å; Y554-D642 PolarHBondContact OH-OD2 3.39Å; I555-D642 PolarHBondContact O-N 2.96Å; I555-D642 VanDerWaalsContact O-N 3.09Å; Q557-D642 WeakPolarHBondContact CA-O 2.96Å; Q557-D642 WeakPolarHBondContact CB-O 3.33Å; Q557-D642 PolarHBondContact N-O 3.4Å; D642-C644 PolarHBondContact O-N 2.98Å; D642-I670 WeakPolarHBondContact OD1-CD1 3.35Å
643	E	90.8	Very high	91.3	Very high	39 Å²	39	35.8 Å²	35.8	18%	0.182	20%	0.197	C	C	.	.	S	Bend	trans	48.7	31.6	179.4	-65.5	-173.4	-178.5	0	0	115.1	Q557 L641 T645 S646 I670 H672	Q557-E643 HydrophobicContact CG-CB 4.11Å; Q557-E643 PolarHBondContact NE2-OE2 3.43Å; L641-E643 PolarHBondContact O-N 3.42Å; E643-T645 PolarHBondContact O-N 3.49Å; E643-T645 VanDerWaalsContact O-N 3.11Å; E643-S646 PolarHBondContact O-N 2.89Å; E643-S646 PolarHBondContact O-OG 3.36Å; E643-I670 WeakPolarHBondContact CA-O 3.43Å; E643-I670 HydrophobicContact CG-CG2 4.12Å; E643-I670 PolarHBondContact N-O 3.04Å; E643-H672 IonicContact OE1-CD2 3.79Å; E643-H672 IonicContact OE1-NE2 2.92Å
644	C	88.1	Confident	91.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.02	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	4.7	-168.2	58.2	0	0	0	0	114.8	I555 Q624 M628 D642	I555-C644 HydrophobicContact CB-CB 4.3Å; I555-C644 HydrophobicContact CG2-CB 3.63Å; Q624-C644 VanDerWaalsContact CB-O 3.26Å; Q624-C644 WeakPolarHBondContact CB-O 3.47Å; Q624-C644 VanDerWaalsContact CD-O 3.31Å; Q624-C644 WeakPolarHBondContact CG-O 3.42Å; Q624-C644 PolarHBondContact OE1-O 3.01Å; M628-C644 HydrophobicContact CE-CB 4.23Å; M628-C644 WeakPolarHBondContact CE-SG 3.41Å; D642-C644 PolarHBondContact O-N 2.98Å
645	T	88.9	Confident	91	Very high	4 Å²	4	42 Å²	42	3%	0.025	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	11.9	177.6	54.1	0	0	0	0	113.7	M628 E643 A647 V648 E653 F657 R673	M628-T645 HydrophobicContact CE-CG2 3.55Å; E643-T645 PolarHBondContact O-N 3.49Å; E643-T645 VanDerWaalsContact O-N 3.11Å; T645-A647 PolarHBondContact O-N 3.36Å; T645-A647 VanDerWaalsContact O-N 3.13Å; T645-V648 PolarHBondContact O-N 3.03Å; T645-E653 WeakPolarHBondContact CB-OE1 3.45Å; T645-E653 HydrophobicContact CG2-CG 4.18Å; T645-E653 PolarHBondContact OG1-OE1 2.77Å; T645-F657 HydrophobicContact CG2-CE2 3.82Å; T645-R673 VanDerWaalsContact O-CZ 3.29Å; T645-R673 PolarHBondContact O-NH1 3Å; T645-R673 PolarHBondContact O-NH2 3.31Å
646	S	86.2	Confident	91	Very high	64 Å²	64	34.6 Å²	34.6	45%	0.448	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.9	-177.5	51.6	0	0	0	0	114.5	Q624 E643 R673	Q624-S646 PolarHBondContact NE2-OG 2.85Å; E643-S646 PolarHBondContact O-N 2.89Å; E643-S646 PolarHBondContact O-OG 3.36Å; S646-R673 PolarHBondContact O-NH2 2.72Å
647	A	85.7	Confident	91.1	Very high	56 Å²	56	34.4 Å²	34.4	46%	0.463	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	14.3	176.4	0	0	0	0	0	113.3	G621 T645	G621-A647 WeakPolarHBondContact CA-O 3.45Å; T645-A647 PolarHBondContact O-N 3.36Å; T645-A647 VanDerWaalsContact O-N 3.13Å
648	V	88.7	Confident	91.1	Very high	6 Å²	6	35 Å²	35	4%	0.036	20%	0.196	C	C	.	.	S	Bend	trans	-105.7	144.3	179.5	-174.8	0	0	0	0	110.1	Q624 R625 T645 V652 E653 R673	Q624-V648 HydrophobicContact CB-CG2 4.12Å; R625-V648 HydrophobicContact CG-CG1 4.32Å; R625-V648 HydrophobicContact CG-CG2 3.88Å; T645-V648 PolarHBondContact O-N 3.03Å; V648-V652 HydrophobicContact CG1-CB 4Å; V648-V652 HydrophobicContact CG1-CG1 4Å; V648-E653 HydrophobicContact CG1-CB 4.34Å; V648-R673 PolarHBondContact O-NH1 2.88Å; V648-R673 PolarHBondContact O-NH2 2.95Å
649	S	88.9	Confident	91.1	Very high	63 Å²	63	36.2 Å²	36.2	44%	0.441	21%	0.206	S	C	.	.			trans	-69.6	148.9	175.1	57.7	0	0	0	0	111.5	D651 V652 E653	S649-D651 VanDerWaalsContact C-N 3.29Å; S649-D651 PolarHBondContact O-N 3.26Å; S649-V652 PolarHBondContact O-N 3.1Å; S649-V652 WeakPolarHBondContact OG-CG2 3.38Å; S649-E653 VanDerWaalsContact O-CB 3.27Å; S649-E653 WeakPolarHBondContact O-CB 3.43Å; S649-E653 PolarHBondContact O-N 3.34Å
650	I	87.8	Confident	91.1	Very high	105 Å²	105	36.3 Å²	36.3	54%	0.538	21%	0.207	S	C	.	.	H	α-helix	trans	-59.3	-38.7	-173.7	-61.2	170.7	0	0	0	111.7	V652 E653 G654	I650-V652 PolarHBondContact O-N 3.05Å; I650-E653 PolarHBondContact O-N 3.07Å; I650-G654 PolarHBondContact O-N 3.12Å
651	D	85.8	Confident	91	Very high	127 Å²	127	38.9 Å²	38.9	68%	0.679	22%	0.218	S	C	*	.	H	α-helix	trans	-65.6	-41	-178.5	-54.6	-30.8	0	0	0	112.4	S649 K655	S649-D651 VanDerWaalsContact C-N 3.29Å; S649-D651 PolarHBondContact O-N 3.26Å; D651-K655 WeakPolarHBondContact O-CG 3.37Å; D651-K655 PolarHBondContact O-N 3.38Å
652	V	89.8	Confident	90.9	Very high	17 Å²	17	44.4 Å²	44.4	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-75.7	-41.3	178.9	178	0	0	0	0	110	N597 V648 S649 I650 G654 K655 I656	N597-V652 HydrophobicContact CB-CG1 4.43Å; V648-V652 HydrophobicContact CG1-CB 4Å; V648-V652 HydrophobicContact CG1-CG1 4Å; S649-V652 PolarHBondContact O-N 3.1Å; S649-V652 WeakPolarHBondContact OG-CG2 3.38Å; I650-V652 PolarHBondContact O-N 3.05Å; V652-G654 VanDerWaalsContact C-N 3.34Å; V652-G654 PolarHBondContact O-N 3.49Å; V652-K655 PolarHBondContact O-N 3.11Å; V652-I656 HydrophobicContact CG1-CD1 3.75Å; V652-I656 HydrophobicContact CG1-CG1 4.33Å; V652-I656 WeakPolarHBondContact O-CG1 3.35Å; V652-I656 PolarHBondContact O-N 3.08Å
653	E	91.6	Very high	90.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-53.9	-49.2	174.6	170.7	173.9	-129.6	0	0	111.4	T645 V648 S649 I650 K655 I656 F657 R673 L676	T645-E653 WeakPolarHBondContact CB-OE1 3.45Å; T645-E653 HydrophobicContact CG2-CG 4.18Å; T645-E653 PolarHBondContact OG1-OE1 2.77Å; V648-E653 HydrophobicContact CG1-CB 4.34Å; S649-E653 VanDerWaalsContact O-CB 3.27Å; S649-E653 WeakPolarHBondContact O-CB 3.43Å; S649-E653 PolarHBondContact O-N 3.34Å; I650-E653 PolarHBondContact O-N 3.07Å; E653-K655 PolarHBondContact O-N 3Å; E653-I656 PolarHBondContact O-N 3.48Å; E653-F657 HydrophobicContact CG-CD2 4.43Å; E653-F657 WeakPolarHBondContact O-CD2 3.38Å; E653-F657 PolarHBondContact O-N 3.03Å; E653-F657 VanDerWaalsContact O-N 3.08Å; E653-R673 WeakPolarHBondContact OE1-CD 3.47Å; E653-R673 IonicContact OE1-NH1 2.73Å; E653-R673 IonicContact OE2-CZ 3.35Å; E653-R673 IonicContact OE2-NH1 2.65Å; E653-R673 PolarHBondContact OE2-NH1 3.38Å; E653-L676 HydrophobicContact CG-CD1 4.38Å; E653-L676 HydrophobicContact CG-CD2 3.57Å; E653-L676 HydrophobicContact CG-CG 4.11Å; E653-L676 WeakPolarHBondContact OE1-CD1 3.36Å
654	G	90.1	Very high	90.9	Very high	9 Å²	9	48.2 Å²	48.2	9%	0.093	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-39.5	178.5	0	0	0	0	0	114	I650 V652 Q658 Y679	I650-G654 PolarHBondContact O-N 3.12Å; V652-G654 VanDerWaalsContact C-N 3.34Å; V652-G654 PolarHBondContact O-N 3.49Å; G654-Q658 WeakPolarHBondContact O-CB 3Å; G654-Q658 PolarHBondContact O-N 2.92Å; G654-Y679 WeakPolarHBondContact CA-OH 3.31Å; G654-Y679 PolarHBondContact O-OH 3.49Å; G654-Y679 VanDerWaalsContact O-OH 3.06Å
655	K	92.3	Very high	91.3	Very high	151 Å²	151	48.2 Å²	48.2	66%	0.657	29%	0.292	S	S	*	.	H	α-helix	trans	-63.8	-44.7	176.4	-73.1	175.6	-176.6	-178.5	0	111.9	D651 V652 E653 Q658 A659	D651-K655 WeakPolarHBondContact O-CG 3.37Å; D651-K655 PolarHBondContact O-N 3.38Å; V652-K655 PolarHBondContact O-N 3.11Å; E653-K655 PolarHBondContact O-N 3Å; K655-Q658 PolarHBondContact O-N 2.88Å; K655-A659 WeakPolarHBondContact O-CB 2.99Å; K655-A659 PolarHBondContact O-N 3.48Å
656	I	94.3	Very high	91.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-46.7	179.9	-69.7	170.9	0	0	0	110.8	V596 R625 M628 F632 V652 E653 Q658 A659 A660	V596-I656 HydrophobicContact CB-CD1 4.26Å; V596-I656 HydrophobicContact CG1-CD1 4.23Å; V596-I656 HydrophobicContact CG1-CG1 4.31Å; R625-I656 HydrophobicContact CG-CD1 4.27Å; M628-I656 HydrophobicContact CB-CG2 4.18Å; M628-I656 HydrophobicContact CE-CG2 4.4Å; M628-I656 HydrophobicContact CG-CG2 4.04Å; M628-I656 HydrophobicContact SD-CG2 4.16Å; F632-I656 HydrophobicContact CE2-CG2 4.06Å; F632-I656 HydrophobicContact CZ-CG2 4.29Å; V652-I656 HydrophobicContact CG1-CD1 3.75Å; V652-I656 HydrophobicContact CG1-CG1 4.33Å; V652-I656 WeakPolarHBondContact O-CG1 3.35Å; V652-I656 PolarHBondContact O-N 3.08Å; E653-I656 PolarHBondContact O-N 3.48Å; I656-Q658 PolarHBondContact O-N 3.2Å; I656-A659 PolarHBondContact O-N 2.91Å; I656-A660 WeakPolarHBondContact O-CB 3.32Å; I656-A660 PolarHBondContact O-N 3.21Å
657	F	94.4	Very high	92	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-40.5	179.2	-90.2	-106.5	0	0	0	112	M628 L641 T645 E653 A660 K661 L667 L676 Y679 H680	M628-F657 HydrophobicContact CE-CE2 4.13Å; L641-F657 HydrophobicContact CD1-CE1 3.87Å; L641-F657 HydrophobicContact CD1-CE2 4.46Å; L641-F657 HydrophobicContact CD1-CZ 3.67Å; T645-F657 HydrophobicContact CG2-CE2 3.82Å; E653-F657 HydrophobicContact CG-CD2 4.43Å; E653-F657 WeakPolarHBondContact O-CD2 3.38Å; E653-F657 PolarHBondContact O-N 3.03Å; E653-F657 VanDerWaalsContact O-N 3.08Å; F657-A660 PolarHBondContact O-N 3.38Å; F657-K661 WeakPolarHBondContact O-CG 3.41Å; F657-K661 PolarHBondContact O-N 2.87Å; F657-K661 VanDerWaalsContact O-N 3.1Å; F657-L667 HydrophobicContact CD1-CD1 3.66Å; F657-L667 HydrophobicContact CE1-CD1 4.16Å; F657-L667 HydrophobicContact CG-CD1 4.47Å; F657-L676 HydrophobicContact CB-CD2 4.43Å; F657-L676 HydrophobicContact CD1-CD2 3.92Å; F657-L676 HydrophobicContact CD2-CD2 3.65Å; F657-L676 HydrophobicContact CE1-CD1 4.35Å; F657-L676 HydrophobicContact CE1-CD2 4.03Å; F657-L676 HydrophobicContact CE2-CD1 4.1Å; F657-L676 HydrophobicContact CE2-CD2 3.76Å; F657-L676 HydrophobicContact CG-CD2 3.72Å; F657-L676 HydrophobicContact CZ-CD1 3.85Å; F657-L676 HydrophobicContact CZ-CD2 3.95Å; F657-Y679 HydrophobicContact CB-CD1 4.13Å; F657-Y679 HydrophobicContact CB-CD2 3.95Å; F657-Y679 HydrophobicContact CB-CE1 4.41Å; F657-Y679 HydrophobicContact CB-CE2 4.25Å; F657-Y679 HydrophobicContact CB-CG 3.89Å; F657-Y679 HydrophobicContact CG-CD2 4.47Å; F657-H680 AromaticContact CE1-CE1 3.79Å
658	Q	93.9	Very high	92.4	Very high	76 Å²	76	42.6 Å²	42.6	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-63.5	-47.6	175.3	-170.1	58.6	48.5	0	0	111.3	G654 K655 I656 A660 K661 D662 Y679	G654-Q658 WeakPolarHBondContact O-CB 3Å; G654-Q658 PolarHBondContact O-N 2.92Å; K655-Q658 PolarHBondContact O-N 2.88Å; I656-Q658 PolarHBondContact O-N 3.2Å; Q658-A660 VanDerWaalsContact C-N 3.26Å; Q658-A660 PolarHBondContact O-N 3.19Å; Q658-K661 WeakPolarHBondContact O-CB 3.46Å; Q658-K661 PolarHBondContact O-N 3.02Å; Q658-D662 PolarHBondContact NE2-OD1 3.34Å; Q658-D662 PolarHBondContact O-N 3.4Å; Q658-Y679 HydrophobicContact CB-CE1 4Å
659	A	95.1	Very high	92.8	Very high	26 Å²	26	42.4 Å²	42.4	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-36.2	177.6	0	0	0	0	0	112.6	I595 F632 K655 I656 D662 A663	I595-A659 HydrophobicContact CG2-CB 3.78Å; F632-A659 HydrophobicContact CE1-CB 4.23Å; F632-A659 HydrophobicContact CZ-CB 4.01Å; K655-A659 WeakPolarHBondContact O-CB 2.99Å; K655-A659 PolarHBondContact O-N 3.48Å; I656-A659 PolarHBondContact O-N 2.91Å; A659-D662 PolarHBondContact O-N 3.01Å; A659-A663 WeakPolarHBondContact O-CB 3.35Å; A659-A663 PolarHBondContact O-N 2.76Å
660	A	95.1	Very high	93	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-39	175.4	0	0	0	0	0	112.5	M631 F632 I656 F657 Q658 A663 I665 L667	M631-A660 HydrophobicContact CE-CB 3.76Å; F632-A660 HydrophobicContact CE1-CB 4.11Å; F632-A660 HydrophobicContact CZ-CB 4.12Å; I656-A660 WeakPolarHBondContact O-CB 3.32Å; I656-A660 PolarHBondContact O-N 3.21Å; F657-A660 PolarHBondContact O-N 3.38Å; Q658-A660 VanDerWaalsContact C-N 3.26Å; Q658-A660 PolarHBondContact O-N 3.19Å; A660-A663 PolarHBondContact O-N 3.5Å; A660-I665 WeakPolarHBondContact O-CB 3.43Å; A660-I665 PolarHBondContact O-N 3.19Å; A660-L667 HydrophobicContact CB-CD1 4.39Å; A660-L667 HydrophobicContact CB-CD2 3.98Å
661	K	93.3	Very high	93.1	Very high	55 Å²	55	34.9 Å²	34.9	24%	0.239	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-44.1	173.2	-67.8	-177.8	65.2	163.4	0	111.8	H515 F657 Q658 A663 G664 L667 Y679	H515-K661 WeakPolarHBondContact NE2-CE 3.3Å; F657-K661 WeakPolarHBondContact O-CG 3.41Å; F657-K661 PolarHBondContact O-N 2.87Å; F657-K661 VanDerWaalsContact O-N 3.1Å; Q658-K661 WeakPolarHBondContact O-CB 3.46Å; Q658-K661 PolarHBondContact O-N 3.02Å; K661-A663 PolarHBondContact O-N 3.29Å; K661-G664 WeakPolarHBondContact O-CA 3.48Å; K661-G664 PolarHBondContact O-N 3.48Å; K661-L667 HydrophobicContact CG-CD1 3.91Å; K661-Y679 HydrophobicContact CD-CD1 4.15Å; K661-Y679 PolarHBondContact NZ-O 3.34Å
662	D	93.8	Very high	93.1	Very high	118 Å²	118	33.4 Å²	33.4	63%	0.631	19%	0.193	S	C	*	.	H	α-helix	trans	-64.3	-30.6	179.1	-61.1	-18.7	0	0	0	111.4	Q658 A659 G664	Q658-D662 PolarHBondContact NE2-OD1 3.34Å; Q658-D662 PolarHBondContact O-N 3.4Å; A659-D662 PolarHBondContact O-N 3.01Å; D662-G664 PolarHBondContact O-N 3.47Å
663	A	93	Very high	92.9	Very high	64 Å²	64	35.8 Å²	35.8	53%	0.529	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-0.4	171.5	0	0	0	0	0	114.2	A659 A660 K661 I665	A659-A663 WeakPolarHBondContact O-CB 3.35Å; A659-A663 PolarHBondContact O-N 2.76Å; A660-A663 PolarHBondContact O-N 3.5Å; K661-A663 PolarHBondContact O-N 3.29Å; A663-I665 HydrophobicContact CB-CD1 4.23Å; A663-I665 HydrophobicContact CB-CG1 4.16Å
664	G	92.8	Very high	92.5	Very high	59 Å²	59	38.9 Å²	38.9	61%	0.608	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	17	178.9	0	0	0	0	0	114.7	K661 D662	K661-G664 WeakPolarHBondContact O-CA 3.48Å; K661-G664 PolarHBondContact O-N 3.48Å; D662-G664 PolarHBondContact O-N 3.47Å
665	I	94.8	Very high	92.2	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	23%	0.227	C	C	.	.			trans	-84.6	124.1	-178.4	-52.6	176.2	0	0	0	109.5	H515 M631 P636 A639 A660 A663 L667	H515-I665 PolarHBondContact CE1-O 3.28Å; M631-I665 HydrophobicContact CE-CD1 4.25Å; M631-I665 HydrophobicContact CG-CD1 4.32Å; M631-I665 HydrophobicContact SD-CD1 4.48Å; P636-I665 HydrophobicContact CG-CG2 4.21Å; A639-I665 HydrophobicContact CB-CG2 3.64Å; A660-I665 WeakPolarHBondContact O-CB 3.43Å; A660-I665 PolarHBondContact O-N 3.19Å; A663-I665 HydrophobicContact CB-CD1 4.23Å; A663-I665 HydrophobicContact CB-CG1 4.16Å; I665-L667 HydrophobicContact CB-CD2 4.42Å; I665-L667 HydrophobicContact CG2-CD2 4.04Å
666	S	95.1	Very high	92	Very high	4 Å²	4	33 Å²	33	3%	0.028	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	124.9	173.6	-57.7	0	0	0	0	109.7	G513 K637 Y638 A639	G513-S666 PolarHBondContact N-OG 3Å; K637-S666 WeakPolarHBondContact O-CB 3.35Å; K637-S666 PolarHBondContact O-N 2.75Å; Y638-S666 WeakPolarHBondContact CA-O 3.21Å; A639-S666 PolarHBondContact N-O 2.95Å
667	L	95	Very high	91.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.8	-169	-56.8	178.6	0	0	0	110.2	H515 L516 A639 L641 F657 A660 K661 I665	H515-L667 CarbonylContact C-O 3.46Å; H515-L667 WeakPolarHBondContact CA-O 3.36Å; H515-L667 PolarHBondContact ND1-N 3.14Å; L516-L667 PolarHBondContact N-O 2.93Å; A639-L667 HydrophobicContact CB-CD2 4.16Å; L641-L667 HydrophobicContact CD1-CD2 4.16Å; F657-L667 HydrophobicContact CD1-CD1 3.66Å; F657-L667 HydrophobicContact CE1-CD1 4.16Å; F657-L667 HydrophobicContact CG-CD1 4.47Å; A660-L667 HydrophobicContact CB-CD1 4.39Å; A660-L667 HydrophobicContact CB-CD2 3.98Å; K661-L667 HydrophobicContact CG-CD1 3.91Å; I665-L667 HydrophobicContact CB-CD2 4.42Å; I665-L667 HydrophobicContact CG2-CD2 4.04Å
668	L	95.8	Very high	91.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	104.2	168.5	-71.8	74.6	0	0	0	107	I487 V510 L516 F530 L533 Y638 A639 L640 L641	I487-L668 HydrophobicContact CD1-CD2 3.95Å; V510-L668 HydrophobicContact CG1-CD1 4.27Å; L516-L668 HydrophobicContact CB-CG 4.18Å; L516-L668 HydrophobicContact CD2-CD2 4.49Å; L516-L668 WeakPolarHBondContact O-CA 3.46Å; F530-L668 HydrophobicContact CE1-CB 4.25Å; F530-L668 HydrophobicContact CZ-CB 4.19Å; F530-L668 VanDerWaalsContact CZ-O 3.3Å; F530-L668 WeakPolarHBondContact CZ-O 3.12Å; L533-L668 HydrophobicContact CD1-CD2 4.36Å; Y638-L668 HydrophobicContact CD1-CD1 3.99Å; A639-L668 PolarHBondContact O-N 3.1Å; L640-L668 WeakPolarHBondContact CA-O 3.49Å; L640-L668 HydrophobicContact CG-CB 4.45Å; L641-L668 PolarHBondContact N-O 2.95Å
669	S	95.1	Very high	91.1	Very high	2 Å²	2	38 Å²	38	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.1	-173.9	78.1	0	0	0	0	113.4	L516 I518 L641 H680	L516-S669 PolarHBondContact O-N 3.31Å; I518-S669 PolarHBondContact N-O 3.11Å; L641-S669 WeakPolarHBondContact O-CA 3.47Å; S669-H680 PolarHBondContact OG-CE1 3.29Å; S669-H680 PolarHBondContact OG-NE2 2.93Å
670	I	94.8	Very high	91	Very high	2 Å²	2	37 Å²	37	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114.3	165.7	-62.3	165.3	0	0	0	106.6	I518 K526 F530 L641 D642 E643	I518-I670 HydrophobicContact CB-CG1 3.91Å; I518-I670 HydrophobicContact CD1-CG1 4.21Å; I518-I670 HydrophobicContact CG2-CG1 4.13Å; K526-I670 VanDerWaalsContact C-CD1 3.5Å; K526-I670 HydrophobicContact CB-CD1 3.77Å; K526-I670 HydrophobicContact CB-CG1 4.13Å; K526-I670 HydrophobicContact CB-CG2 4.05Å; K526-I670 HydrophobicContact CD-CG2 3.93Å; K526-I670 WeakPolarHBondContact O-CD1 3.38Å; F530-I670 HydrophobicContact CD1-CD1 4.3Å; F530-I670 HydrophobicContact CD2-CD1 3.32Å; F530-I670 HydrophobicContact CD2-CG1 4.1Å; F530-I670 HydrophobicContact CE1-CD1 4.28Å; F530-I670 HydrophobicContact CE1-CG1 4.38Å; F530-I670 HydrophobicContact CE2-CB 4.34Å; F530-I670 HydrophobicContact CE2-CD1 3.29Å; F530-I670 HydrophobicContact CE2-CG1 3.52Å; F530-I670 HydrophobicContact CG-CD1 3.89Å; F530-I670 HydrophobicContact CZ-CD1 3.81Å; F530-I670 HydrophobicContact CZ-CG1 3.68Å; L641-I670 PolarHBondContact O-N 3.32Å; D642-I670 WeakPolarHBondContact OD1-CD1 3.35Å; E643-I670 WeakPolarHBondContact CA-O 3.43Å; E643-I670 HydrophobicContact CG-CG2 4.12Å; E643-I670 PolarHBondContact N-O 3.04Å
671	T	89.5	Confident	90.9	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.049	22%	0.221	C	C	.	.			trans	-153.8	149.9	177.1	-176.1	0	0	0	0	111.5	L517 R673 L676	L517-T671 HydrophobicContact CD1-CG2 3.33Å; T671-R673 PolarHBondContact OG1-N 3.46Å; T671-R673 VanDerWaalsContact OG1-N 3.07Å; T671-L676 HydrophobicContact CG2-CB 4.05Å; T671-L676 HydrophobicContact CG2-CD1 3.72Å
672	H	85.1	Confident	90.9	Very high	97 Å²	97	37.9 Å²	37.9	45%	0.449	22%	0.215	S	C	.	.			trans	-100.9	0.7	172.4	-71.3	-83.7	0	0	0	112.4	G520 K526 E643 P674	G520-H672 PolarHBondContact O-CE1 3.4Å; K526-H672 PolarHBondContact NZ-NE2 3.39Å; E643-H672 IonicContact OE1-CD2 3.79Å; E643-H672 IonicContact OE1-NE2 2.92Å; H672-P674 WeakPolarHBondContact O-CD 3.29Å
673	R	85.4	Confident	90.9	Very high	67 Å²	67	32.6 Å²	32.6	25%	0.253	19%	0.186	S	C	.	.			trans	-87	119.7	-174.8	-67	-175.5	167.3	-154.6	1.7	111.4	T645 S646 V648 E653 T671 S675 L676	T645-R673 VanDerWaalsContact O-CZ 3.29Å; T645-R673 PolarHBondContact O-NH1 3Å; T645-R673 PolarHBondContact O-NH2 3.31Å; S646-R673 PolarHBondContact O-NH2 2.72Å; V648-R673 PolarHBondContact O-NH1 2.88Å; V648-R673 PolarHBondContact O-NH2 2.95Å; E653-R673 WeakPolarHBondContact OE1-CD 3.47Å; E653-R673 IonicContact OE1-NH1 2.73Å; E653-R673 IonicContact OE2-CZ 3.35Å; E653-R673 IonicContact OE2-NH1 2.65Å; E653-R673 PolarHBondContact OE2-NH1 3.38Å; T671-R673 PolarHBondContact OG1-N 3.46Å; T671-R673 VanDerWaalsContact OG1-N 3.07Å; R673-S675 PolarHBondContact O-N 3.33Å; R673-L676 PolarHBondContact O-N 3.48Å
674	P	83.6	Confident	90.9	Very high	65 Å²	65	29.6 Å²	29.6	42%	0.422	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-62.7	-29	177.3	-24.3	35.4	0	0	0	113.9	H672 L676 W677	H672-P674 WeakPolarHBondContact O-CD 3.29Å; P674-L676 PolarHBondContact O-N 3.21Å; P674-W677 WeakPolarHBondContact O-CB 3.14Å; P674-W677 PolarHBondContact O-N 3.24Å
675	S	84.2	Confident	90.9	Very high	35 Å²	35	30.6 Å²	30.6	25%	0.245	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-56.1	-25.2	178.6	53.3	0	0	0	0	113.7	R673	R673-S675 PolarHBondContact O-N 3.33Å
676	L	87.4	Confident	90.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-87.9	-11.3	-178.5	-74.3	-179.4	0	0	0	114.2	E653 F657 T671 R673 P674 K678 Y679 H680	E653-L676 HydrophobicContact CG-CD1 4.38Å; E653-L676 HydrophobicContact CG-CD2 3.57Å; E653-L676 HydrophobicContact CG-CG 4.11Å; E653-L676 WeakPolarHBondContact OE1-CD1 3.36Å; F657-L676 HydrophobicContact CB-CD2 4.43Å; F657-L676 HydrophobicContact CD1-CD2 3.92Å; F657-L676 HydrophobicContact CD2-CD2 3.65Å; F657-L676 HydrophobicContact CE1-CD1 4.35Å; F657-L676 HydrophobicContact CE1-CD2 4.03Å; F657-L676 HydrophobicContact CE2-CD1 4.1Å; F657-L676 HydrophobicContact CE2-CD2 3.76Å; F657-L676 HydrophobicContact CG-CD2 3.72Å; F657-L676 HydrophobicContact CZ-CD1 3.85Å; F657-L676 HydrophobicContact CZ-CD2 3.95Å; T671-L676 HydrophobicContact CG2-CB 4.05Å; T671-L676 HydrophobicContact CG2-CD1 3.72Å; R673-L676 PolarHBondContact O-N 3.48Å; P674-L676 PolarHBondContact O-N 3.21Å; L676-K678 VanDerWaalsContact C-N 3.28Å; L676-K678 PolarHBondContact O-N 3.33Å; L676-Y679 HydrophobicContact CD2-CD2 3.92Å; L676-Y679 HydrophobicContact CD2-CE2 4.27Å; L676-Y679 PolarHBondContact O-N 3.47Å; L676-Y679 VanDerWaalsContact O-N 3.12Å; L676-H680 PolarHBondContact O-ND1 3.39Å
677	W	87.5	Confident	90.4	Very high	45 Å²	45	34.4 Å²	34.4	17%	0.17	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-61.8	-37.2	-174.3	-67.9	8.7	0	0	0	112.2	L517 P674 Y679 H680 L697 R702 L703	L517-W677 HydrophobicContact CD2-CD2 4.48Å; L517-W677 HydrophobicContact CD2-CG 3.89Å; P674-W677 WeakPolarHBondContact O-CB 3.14Å; P674-W677 PolarHBondContact O-N 3.24Å; W677-Y679 PolarHBondContact O-N 3.03Å; W677-Y679 VanDerWaalsContact O-N 3.11Å; W677-H680 PolarHBondContact O-N 2.91Å; W677-L697 HydrophobicContact CB-CD2 4.32Å; W677-L697 WeakPolarHBondContact O-CD2 3.43Å; W677-R702 HydrophobicContact CE3-CB 4.14Å; W677-R702 HydrophobicContact CZ3-CB 4Å; W677-R702 HydrophobicContact CZ3-CG 4.49Å; W677-L703 HydrophobicContact CB-CD1 4.22Å
678	K	87.6	Confident	89.8	Confident	124 Å²	124	36.4 Å²	36.4	54%	0.539	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-60.7	-19.3	177.7	66.7	-177.8	-179.4	174.4	0	114.9	L676	L676-K678 VanDerWaalsContact C-N 3.28Å; L676-K678 PolarHBondContact O-N 3.33Å
679	Y	90.1	Very high	89.2	Confident	20 Å²	20	45 Å²	45	8%	0.078	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-88	-12.9	178.5	-61.2	-71.7	0	0	0	112.7	G654 F657 Q658 K661 L676 W677	G654-Y679 WeakPolarHBondContact CA-OH 3.31Å; G654-Y679 PolarHBondContact O-OH 3.49Å; G654-Y679 VanDerWaalsContact O-OH 3.06Å; F657-Y679 HydrophobicContact CB-CD1 4.13Å; F657-Y679 HydrophobicContact CB-CD2 3.95Å; F657-Y679 HydrophobicContact CB-CE1 4.41Å; F657-Y679 HydrophobicContact CB-CE2 4.25Å; F657-Y679 HydrophobicContact CB-CG 3.89Å; F657-Y679 HydrophobicContact CG-CD2 4.47Å; Q658-Y679 HydrophobicContact CB-CE1 4Å; K661-Y679 HydrophobicContact CD-CD1 4.15Å; K661-Y679 PolarHBondContact NZ-O 3.34Å; L676-Y679 HydrophobicContact CD2-CD2 3.92Å; L676-Y679 HydrophobicContact CD2-CE2 4.27Å; L676-Y679 PolarHBondContact O-N 3.47Å; L676-Y679 VanDerWaalsContact O-N 3.12Å; W677-Y679 PolarHBondContact O-N 3.03Å; W677-Y679 VanDerWaalsContact O-N 3.11Å
680	H	92.8	Very high	88.5	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.023	24%	0.24	C	C	.	.			trans	-106.6	149	-174.9	-60.8	85	0	0	0	111.8	H515 L516 L517 F657 S669 L676 W677 L697	H515-H680 HydrophobicContact CB-CB 4.48Å; L516-H680 VanDerWaalsContact C-CD2 3.43Å; L516-H680 PolarHBondContact O-CD2 3Å; L517-H680 HydrophobicContact CB-CB 3.77Å; F657-H680 AromaticContact CE1-CE1 3.79Å; S669-H680 PolarHBondContact OG-CE1 3.29Å; S669-H680 PolarHBondContact OG-NE2 2.93Å; L676-H680 PolarHBondContact O-ND1 3.39Å; W677-H680 PolarHBondContact O-N 2.91Å; H680-L697 HydrophobicContact CB-CD2 4.08Å
681	T	92.3	Very high	88.1	Confident	53 Å²	53	47 Å²	47	33%	0.325	25%	0.252	S	S	.	.	S	Bend	trans	-103.9	-27	-178	52.9	0	0	0	0	112.7	H515 L697	H515-T681 PolarHBondContact N-OG1 2.92Å; H515-T681 PolarHBondContact O-N 3.04Å; H515-T681 PolarHBondContact O-OG1 3.26Å; T681-L697 WeakPolarHBondContact O-CB 3.42Å; T681-L697 PolarHBondContact O-N 3.22Å
682	H	93.8	Very high	88.2	Confident	22 Å²	22	50.1 Å²	50.1	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.1	-174.9	-68.3	76.5	0	0	0	109.8	H515 L516 L517 F694 E695	H515-H682 PolarHBondContact O-N 2.96Å; L516-H682 HydrophobicContact CD1-CB 3.91Å; L517-H682 PolarHBondContact N-O 3.5Å; H682-F694 HydrophobicContact CB-CE2 4.16Å; H682-F694 HydrophobicContact CB-CZ 4.33Å; H682-F694 AromaticContact CD2-CZ 3.74Å; H682-E695 WeakPolarHBondContact CA-O 3.35Å
683	L	92.8	Very high	88.6	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.037	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.2	176.5	175.6	67.9	0	0	0	110.4	L517 T519 Q685 F694 E695 L697	L517-L683 HydrophobicContact CB-CD1 4.21Å; L517-L683 HydrophobicContact CD2-CD1 3.96Å; L517-L683 HydrophobicContact CG-CD1 3.99Å; L517-L683 CarbonylContact O-C 3.51Å; L517-L683 WeakPolarHBondContact O-CA 3.26Å; T519-L683 HydrophobicContact CG2-CD1 3.69Å; L683-Q685 HydrophobicContact CD2-CB 4.31Å; L683-Q685 HydrophobicContact CG-CB 4.33Å; L683-F694 WeakPolarHBondContact O-CA 3.45Å; L683-E695 HydrophobicContact CB-CG 4.28Å; L683-E695 PolarHBondContact N-O 3.46Å; L683-E695 PolarHBondContact O-N 3.17Å; L683-L697 HydrophobicContact CB-CB 4.44Å; L683-L697 HydrophobicContact CB-CD1 4.27Å
684	L	94.2	Very high	88.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.1	162.4	178.6	65.9	0	0	0	108.6	L506 L508 L516 L517 I518 T519 L529 F686 W692 R693 F694	L506-L684 HydrophobicContact CD1-CD1 4.38Å; L508-L684 HydrophobicContact CD2-CD2 4.3Å; L516-L684 HydrophobicContact CD1-CB 3.95Å; L516-L684 HydrophobicContact CD2-CB 4.44Å; L516-L684 HydrophobicContact CG-CB 4.45Å; L517-L684 PolarHBondContact O-N 2.88Å; I518-L684 WeakPolarHBondContact CA-O 3.18Å; I518-L684 HydrophobicContact CG1-CB 4.32Å; I518-L684 HydrophobicContact CG1-CD2 4.35Å; I518-L684 HydrophobicContact CG2-CD2 4.5Å; T519-L684 PolarHBondContact N-O 3.24Å; L529-L684 HydrophobicContact CD2-CD2 3.91Å; L684-F686 HydrophobicContact CD2-CE2 3.9Å; L684-F686 HydrophobicContact CD2-CZ 3.94Å; L684-F686 HydrophobicContact CG-CE2 4.1Å; L684-F686 HydrophobicContact CG-CZ 4.34Å; L684-W692 HydrophobicContact CD1-CB 4.44Å; L684-W692 HydrophobicContact CD1-CE3 4.02Å; L684-R693 CarbonylContact C-O 3.59Å; L684-R693 WeakPolarHBondContact CA-O 3.23Å; L684-F694 HydrophobicContact CB-CD2 4.43Å; L684-F694 HydrophobicContact CD1-CB 4.34Å; L684-F694 HydrophobicContact CD1-CD2 4.49Å
685	Q	92.4	Very high	89.3	Confident	80 Å²	80	54.9 Å²	54.9	37%	0.374	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.7	-179.8	-173.2	175.1	7.8	0	0	110.7	T519 L683 W692 R693	T519-Q685 WeakPolarHBondContact O-CA 3.43Å; L683-Q685 HydrophobicContact CD2-CB 4.31Å; L683-Q685 HydrophobicContact CG-CB 4.33Å; Q685-W692 CarbonylContact O-C 3.56Å; Q685-W692 VanDerWaalsContact O-CA 3.25Å; Q685-W692 WeakPolarHBondContact O-CA 3.26Å; Q685-R693 PolarHBondContact N-O 3.03Å; Q685-R693 PolarHBondContact O-N 2.92Å
686	F	91.7	Very high	89.5	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.8	169.8	-67.3	-83.1	0	0	0	110.5	I494 V503 I518 T519 G520 P521 C524 K526 L529 L684 W692	I494-F686 HydrophobicContact CD1-CE1 4.37Å; I494-F686 HydrophobicContact CD1-CZ 4.44Å; V503-F686 HydrophobicContact CG2-CD1 4.05Å; V503-F686 HydrophobicContact CG2-CE1 3.85Å; I518-F686 HydrophobicContact CG2-CD2 4.04Å; I518-F686 HydrophobicContact CG2-CE2 3.66Å; T519-F686 PolarHBondContact O-N 2.94Å; G520-F686 VanDerWaalsContact CA-O 3.31Å; G520-F686 WeakPolarHBondContact CA-O 3.01Å; P521-F686 VanDerWaalsContact CD-O 3.27Å; P521-F686 WeakPolarHBondContact CD-O 3.32Å; C524-F686 HydrophobicContact CB-CB 4Å; C524-F686 WeakPolarHBondContact SG-CB 3.26Å; K526-F686 HydrophobicContact CG-CD2 3.96Å; K526-F686 HydrophobicContact CG-CE2 4.33Å; L529-F686 HydrophobicContact CD2-CZ 4.24Å; L684-F686 HydrophobicContact CD2-CE2 3.9Å; L684-F686 HydrophobicContact CD2-CZ 3.94Å; L684-F686 HydrophobicContact CG-CE2 4.1Å; L684-F686 HydrophobicContact CG-CZ 4.34Å; F686-W692 HydrophobicContact CD1-CB 4.08Å; F686-W692 HydrophobicContact CE1-CB 4.24Å
687	D	87.1	Confident	89.3	Confident	85 Å²	85	61.4 Å²	61.4	46%	0.455	30%	0.301	S	S	.	.			trans	-84.4	-23	177.7	60.7	16.1	0	0	0	113.7	E689 G690 G691	D687-E689 PolarHBondContact OD1-N 2.68Å; D687-G690 PolarHBondContact OD1-N 2.7Å; D687-G691 VanDerWaalsContact CG-N 3.35Å; D687-G691 PolarHBondContact N-O 3.19Å; D687-G691 VanDerWaalsContact N-O 3.14Å; D687-G691 WeakPolarHBondContact OD1-CA 3.42Å; D687-G691 PolarHBondContact OD1-N 2.93Å; D687-G691 WeakPolarHBondContact OD2-CA 3.38Å; D687-G691 PolarHBondContact OD2-N 2.87Å; D687-G691 VanDerWaalsContact OD2-N 3.13Å
688	G	83.1	Confident	88.9	Confident	43 Å²	43	63.8 Å²	63.8	44%	0.443	32%	0.317	S	S	.	.	S	Bend	trans	92.9	-7.5	-176.9	0	0	0	0	0	115
689	E	82.8	Confident	88.1	Confident	183 Å²	183	59.3 Å²	59.3	86%	0.855	30%	0.302	S	S	*	.	S	Bend	trans	-108.4	3.7	177.4	-63.3	-176	167.4	0	0	112.1	D687	D687-E689 PolarHBondContact OD1-N 2.68Å
690	G	80	Confident	87	Confident	20 Å²	20	61.7 Å²	61.7	21%	0.206	33%	0.325	C	S	.	.	S	Bend	trans	109.7	-3.5	173.4	0	0	0	0	0	114	V502 D687	V502-G690 WeakPolarHBondContact O-CA 3.3Å; D687-G690 PolarHBondContact OD1-N 2.7Å
691	G	86.9	Confident	85.9	Confident	25 Å²	25	64.6 Å²	64.6	26%	0.258	34%	0.343	S	S	.	.			trans	-90.1	161.7	169.8	0	0	0	0	0	112.9	D687	D687-G691 VanDerWaalsContact CG-N 3.35Å; D687-G691 PolarHBondContact N-O 3.19Å; D687-G691 VanDerWaalsContact N-O 3.14Å; D687-G691 WeakPolarHBondContact OD1-CA 3.42Å; D687-G691 PolarHBondContact OD1-N 2.93Å; D687-G691 WeakPolarHBondContact OD2-CA 3.38Å; D687-G691 PolarHBondContact OD2-N 2.87Å; D687-G691 VanDerWaalsContact OD2-N 3.13Å
692	W	92.7	Very high	84.9	Confident	74 Å²	74	65.3 Å²	65.3	28%	0.28	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	155.7	-179	57.9	-89.1	0	0	0	110	C505 L506 N507 L684 Q685 F686 F694	C505-W692 PolarHBondContact O-NE1 3.35Å; L506-W692 HydrophobicContact CD1-CB 4.47Å; L506-W692 HydrophobicContact CD1-CD2 3.69Å; L506-W692 HydrophobicContact CD1-CE3 4.16Å; L506-W692 HydrophobicContact CD1-CG 3.79Å; N507-W692 HydrophobicContact CB-CH2 3.8Å; N507-W692 HydrophobicContact CB-CZ2 3.89Å; N507-W692 WeakPolarHBondContact O-CH2 3.42Å; N507-W692 VanDerWaalsContact O-CZ3 3.22Å; N507-W692 WeakPolarHBondContact O-CZ3 3.33Å; L684-W692 HydrophobicContact CD1-CB 4.44Å; L684-W692 HydrophobicContact CD1-CE3 4.02Å; Q685-W692 CarbonylContact O-C 3.56Å; Q685-W692 VanDerWaalsContact O-CA 3.25Å; Q685-W692 WeakPolarHBondContact O-CA 3.26Å; F686-W692 HydrophobicContact CD1-CB 4.08Å; F686-W692 HydrophobicContact CE1-CB 4.24Å; W692-F694 HydrophobicContact CE3-CB 4.27Å; W692-F694 HydrophobicContact CZ3-CB 3.91Å
693	R	91.8	Very high	83.8	Confident	182 Å²	182	66.9 Å²	66.9	69%	0.687	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	137	175.5	-62.6	-176.1	-174.4	-178.9	1.9	109.8	L684 Q685	L684-R693 CarbonylContact C-O 3.59Å; L684-R693 WeakPolarHBondContact CA-O 3.23Å; Q685-R693 PolarHBondContact N-O 3.03Å; Q685-R693 PolarHBondContact O-N 2.92Å
694	F	92.6	Very high	82.8	Confident	74 Å²	74	69.3 Å²	69.3	33%	0.325	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.6	176.9	-179.8	-105.7	0	0	0	109.3	L508 L516 H682 L683 L684 W692	L508-F694 HydrophobicContact CD1-CD2 3.54Å; L508-F694 HydrophobicContact CD1-CE2 3.47Å; L508-F694 VanDerWaalsContact CD1-CE2 3.47Å; L508-F694 HydrophobicContact CD1-CG 4.27Å; L508-F694 HydrophobicContact CD1-CZ 4.17Å; L516-F694 HydrophobicContact CD1-CD2 4.26Å; L516-F694 HydrophobicContact CD1-CE2 3.75Å; H682-F694 HydrophobicContact CB-CE2 4.16Å; H682-F694 HydrophobicContact CB-CZ 4.33Å; H682-F694 AromaticContact CD2-CZ 3.74Å; L683-F694 WeakPolarHBondContact O-CA 3.45Å; L684-F694 HydrophobicContact CB-CD2 4.43Å; L684-F694 HydrophobicContact CD1-CB 4.34Å; L684-F694 HydrophobicContact CD1-CD2 4.49Å; W692-F694 HydrophobicContact CE3-CB 4.27Å; W692-F694 HydrophobicContact CZ3-CB 3.91Å
695	E	91.1	Very high	81.9	Confident	73 Å²	73	73.9 Å²	73.9	34%	0.341	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.9	-175.4	60.8	-176.4	-166.6	0	0	111.8	H682 L683 R702	H682-E695 WeakPolarHBondContact CA-O 3.35Å; L683-E695 HydrophobicContact CB-CG 4.28Å; L683-E695 PolarHBondContact N-O 3.46Å; L683-E695 PolarHBondContact O-N 3.17Å; E695-R702 IonicContact OE1-CZ 2.79Å; E695-R702 IonicContact OE1-NH1 3.06Å; E695-R702 PolarHBondContact OE1-NH1 3.41Å; E695-R702 IonicContact OE1-NH2 3.01Å; E695-R702 PolarHBondContact OE1-NH2 3.31Å
696	E	89.1	Confident	81.1	Confident	158 Å²	158	72.1 Å²	72.1	74%	0.738	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.5	169.2	-74.8	-178.4	-173.2	0	0	110.3	D698	E696-D698 PolarHBondContact O-N 3.14Å
697	L	83.6	Confident	80.5	Confident	14 Å²	14	77.8 Å²	77.8	7%	0.073	41%	0.412	C	S	.	.			trans	-92.2	102.3	-176.1	-177	66	0	0	0	110.1	L517 W677 H680 T681 L683 S699	L517-L697 HydrophobicContact CD2-CD2 4.16Å; W677-L697 HydrophobicContact CB-CD2 4.32Å; W677-L697 WeakPolarHBondContact O-CD2 3.43Å; H680-L697 HydrophobicContact CB-CD2 4.08Å; T681-L697 WeakPolarHBondContact O-CB 3.42Å; T681-L697 PolarHBondContact O-N 3.22Å; L683-L697 HydrophobicContact CB-CB 4.44Å; L683-L697 HydrophobicContact CB-CD1 4.27Å; L697-S699 VanDerWaalsContact C-N 3.29Å; L697-S699 PolarHBondContact O-N 3.34Å
698	D	79.3	Confident	80.1	Confident	95 Å²	95	79 Å²	79	51%	0.508	41%	0.414	S	S	.	.			trans	-77.3	84.9	162.6	-171.8	-0.8	0	0	0	110.1	E696 A700 T701 R702	E696-D698 PolarHBondContact O-N 3.14Å; D698-A700 VanDerWaalsContact C-N 3.31Å; D698-A700 PolarHBondContact O-N 3.28Å; D698-T701 PolarHBondContact O-N 3.49Å; D698-T701 PolarHBondContact OD1-OG1 2.82Å; D698-T701 VanDerWaalsContact OD2-CB 3.27Å; D698-T701 WeakPolarHBondContact OD2-CB 3.41Å; D698-T701 PolarHBondContact OD2-OG1 3Å; D698-R702 PolarHBondContact O-N 3.22Å
699	S	69.6	Low	80	Confident	31 Å²	31	82.6 Å²	82.6	22%	0.217	42%	0.418	C	S	.	.	H	α-helix	trans	-61.9	-34.4	-173.3	53.9	0	0	0	0	113.5	L697 L703	L697-S699 VanDerWaalsContact C-N 3.29Å; L697-S699 PolarHBondContact O-N 3.34Å; S699-L703 WeakPolarHBondContact O-CB 3.21Å; S699-L703 VanDerWaalsContact O-CD1 3.26Å; S699-L703 WeakPolarHBondContact O-CD1 3.21Å; S699-L703 PolarHBondContact O-N 3.44Å; S699-L703 VanDerWaalsContact O-N 3.07Å
700	A	67	Low	79.9	Confident	70 Å²	70	79.6 Å²	79.6	58%	0.579	40%	0.404	S	S	*	.	H	α-helix	trans	-68	-49.2	-179.6	0	0	0	0	0	111.2	D698 R702 L703 S704	D698-A700 VanDerWaalsContact C-N 3.31Å; D698-A700 PolarHBondContact O-N 3.28Å; A700-R702 PolarHBondContact O-N 2.86Å; A700-L703 PolarHBondContact O-N 3.22Å; A700-S704 PolarHBondContact O-N 3.35Å; A700-S704 VanDerWaalsContact O-N 3.07Å; A700-S704 PolarHBondContact O-OG 2.9Å
701	T	69.1	Low	80.1	Confident	65 Å²	65	87.1 Å²	87.1	40%	0.399	43%	0.426	S	S	.	.	H	α-helix	trans	-68.8	-35.3	-178.2	-46.8	0	0	0	0	111.5	D698 S704 L705	D698-T701 PolarHBondContact O-N 3.49Å; D698-T701 PolarHBondContact OD1-OG1 2.82Å; D698-T701 VanDerWaalsContact OD2-CB 3.27Å; D698-T701 WeakPolarHBondContact OD2-CB 3.41Å; D698-T701 PolarHBondContact OD2-OG1 3Å; T701-S704 PolarHBondContact O-OG 3.1Å; T701-L705 HydrophobicContact CG2-CD1 4.19Å; T701-L705 VanDerWaalsContact O-CB 3.32Å; T701-L705 WeakPolarHBondContact O-CB 3.41Å; T701-L705 WeakPolarHBondContact O-CD1 3.46Å; T701-L705 WeakPolarHBondContact O-CG 3.31Å; T701-L705 PolarHBondContact O-N 2.9Å
702	R	71.5	Confident	79.8	Confident	68 Å²	68	90 Å²	90	26%	0.257	44%	0.435	S	S	.	.	H	α-helix	trans	-69.7	-40	174.6	-99.6	-163.2	168.6	121.9	-1.3	113.7	W677 E695 D698 A700 T706	W677-R702 HydrophobicContact CE3-CB 4.14Å; W677-R702 HydrophobicContact CZ3-CB 4Å; W677-R702 HydrophobicContact CZ3-CG 4.49Å; E695-R702 IonicContact OE1-CZ 2.79Å; E695-R702 IonicContact OE1-NH1 3.06Å; E695-R702 PolarHBondContact OE1-NH1 3.41Å; E695-R702 IonicContact OE1-NH2 3.01Å; E695-R702 PolarHBondContact OE1-NH2 3.31Å; D698-R702 PolarHBondContact O-N 3.22Å; A700-R702 PolarHBondContact O-N 2.86Å; R702-T706 WeakPolarHBondContact O-CB 3.4Å; R702-T706 PolarHBondContact O-N 3.28Å; R702-T706 PolarHBondContact O-OG1 3.23Å
703	L	71.3	Confident	79.4	Confident	55 Å²	55	91.2 Å²	91.2	29%	0.288	44%	0.444	S	S	.	.	H	α-helix	trans	-62.9	-47	175.4	-101.3	111.3	0	0	0	110.5	W677 S699 A700 L705 T706 E707	W677-L703 HydrophobicContact CB-CD1 4.22Å; S699-L703 WeakPolarHBondContact O-CB 3.21Å; S699-L703 VanDerWaalsContact O-CD1 3.26Å; S699-L703 WeakPolarHBondContact O-CD1 3.21Å; S699-L703 PolarHBondContact O-N 3.44Å; S699-L703 VanDerWaalsContact O-N 3.07Å; A700-L703 PolarHBondContact O-N 3.22Å; L703-L705 PolarHBondContact O-N 3.33Å; L703-T706 PolarHBondContact O-N 2.93Å; L703-T706 VanDerWaalsContact O-N 3.14Å; L703-E707 WeakPolarHBondContact O-CG 3.42Å; L703-E707 PolarHBondContact O-N 2.96Å
704	S	72.5	Confident	78.9	Confident	58 Å²	58	85.8 Å²	85.8	41%	0.406	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-43.1	178.4	65.1	0	0	0	0	112.2	A700 T701 T706 E707 E708	A700-S704 PolarHBondContact O-N 3.35Å; A700-S704 VanDerWaalsContact O-N 3.07Å; A700-S704 PolarHBondContact O-OG 2.9Å; T701-S704 PolarHBondContact O-OG 3.1Å; S704-T706 VanDerWaalsContact C-N 3.3Å; S704-T706 PolarHBondContact O-N 3.21Å; S704-E707 PolarHBondContact O-N 3.37Å; S704-E708 VanDerWaalsContact O-CB 3.24Å; S704-E708 WeakPolarHBondContact O-CB 3.22Å; S704-E708 PolarHBondContact O-N 2.95Å
705	L	75.3	Confident	78.4	Confident	97 Å²	97	87.4 Å²	87.4	51%	0.508	45%	0.447	S	S	.	.	H	α-helix	trans	-65.2	-33.2	176.4	-73	170.2	0	0	0	112.5	T701 L703 K709	T701-L705 HydrophobicContact CG2-CD1 4.19Å; T701-L705 VanDerWaalsContact O-CB 3.32Å; T701-L705 WeakPolarHBondContact O-CB 3.41Å; T701-L705 WeakPolarHBondContact O-CD1 3.46Å; T701-L705 WeakPolarHBondContact O-CG 3.31Å; T701-L705 PolarHBondContact O-N 2.9Å; L703-L705 PolarHBondContact O-N 3.33Å; L705-K709 WeakPolarHBondContact O-CB 3.29Å; L705-K709 PolarHBondContact O-N 2.83Å
706	T	74.8	Confident	77.8	Confident	42 Å²	42	89.2 Å²	89.2	26%	0.258	46%	0.458	S	S	.	.	H	α-helix	trans	-74.5	-41.1	178.2	-51.2	0	0	0	0	111.1	R702 L703 S704 K709 Q710	R702-T706 WeakPolarHBondContact O-CB 3.4Å; R702-T706 PolarHBondContact O-N 3.28Å; R702-T706 PolarHBondContact O-OG1 3.23Å; L703-T706 PolarHBondContact O-N 2.93Å; L703-T706 VanDerWaalsContact O-N 3.14Å; S704-T706 VanDerWaalsContact C-N 3.3Å; S704-T706 PolarHBondContact O-N 3.21Å; T706-K709 PolarHBondContact O-N 2.92Å; T706-Q710 WeakPolarHBondContact O-CB 3.22Å; T706-Q710 WeakPolarHBondContact O-CG 3.48Å; T706-Q710 PolarHBondContact O-N 3.14Å
707	E	79.9	Confident	77.4	Confident	122 Å²	122	85.3 Å²	85.3	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-63	-43.1	172.6	-72.6	176.3	176.9	0	0	111.2	L703 S704 Q710 R711	L703-E707 WeakPolarHBondContact O-CG 3.42Å; L703-E707 PolarHBondContact O-N 2.96Å; S704-E707 PolarHBondContact O-N 3.37Å; E707-Q710 PolarHBondContact O-N 3.08Å; E707-R711 VanDerWaalsContact O-CB 3.27Å; E707-R711 WeakPolarHBondContact O-CB 3.2Å; E707-R711 PolarHBondContact O-N 3.36Å
708	E	78.2	Confident	77.2	Confident	109 Å²	109	85.8 Å²	85.8	51%	0.509	46%	0.462	S	S	.	.	H	α-helix	trans	-62.2	-46.4	174.4	-174.9	174.8	-169	0	0	111.3	S704 Q710 R711 L712	S704-E708 VanDerWaalsContact O-CB 3.24Å; S704-E708 WeakPolarHBondContact O-CB 3.22Å; S704-E708 PolarHBondContact O-N 2.95Å; E708-Q710 PolarHBondContact O-N 3.2Å; E708-R711 WeakPolarHBondContact O-CB 3.13Å; E708-R711 PolarHBondContact O-N 2.85Å; E708-L712 HydrophobicContact CG-CD1 4.12Å; E708-L712 WeakPolarHBondContact O-CB 3.44Å; E708-L712 VanDerWaalsContact O-CG 3.31Å; E708-L712 WeakPolarHBondContact O-CG 3.47Å; E708-L712 PolarHBondContact O-N 3.02Å
709	K	79.9	Confident	77.4	Confident	120 Å²	120	84.4 Å²	84.4	52%	0.522	45%	0.453	S	S	.	.	H	α-helix	trans	-56.5	-50.7	173.9	177.3	-174.7	167.6	-178	0	111.4	L705 T706 R711 L712 E713	L705-K709 WeakPolarHBondContact O-CB 3.29Å; L705-K709 PolarHBondContact O-N 2.83Å; T706-K709 PolarHBondContact O-N 2.92Å; K709-R711 VanDerWaalsContact C-N 3.3Å; K709-R711 PolarHBondContact O-N 3.05Å; K709-L712 PolarHBondContact O-N 3.38Å; K709-E713 WeakPolarHBondContact CE-OE1 3.16Å; K709-E713 HydrophobicContact CG-CG 4.41Å; K709-E713 IonicContact NZ-OE1 3.71Å; K709-E713 WeakPolarHBondContact O-CB 3.32Å; K709-E713 WeakPolarHBondContact O-CG 3.49Å; K709-E713 PolarHBondContact O-N 3.47Å
710	Q	82.1	Confident	77.8	Confident	120 Å²	120	86.1 Å²	86.1	56%	0.561	46%	0.464	S	S	*	.	H	α-helix	trans	-61.8	-39.5	179.4	-77.7	-178.7	-10.7	0	0	111.8	T706 E707 E708 E713 A714	T706-Q710 WeakPolarHBondContact O-CB 3.22Å; T706-Q710 WeakPolarHBondContact O-CG 3.48Å; T706-Q710 PolarHBondContact O-N 3.14Å; E707-Q710 PolarHBondContact O-N 3.08Å; E708-Q710 PolarHBondContact O-N 3.2Å; Q710-E713 PolarHBondContact O-N 2.87Å; Q710-A714 WeakPolarHBondContact O-CB 3.49Å; Q710-A714 PolarHBondContact O-N 3.5Å
711	R	83.7	Confident	78.5	Confident	177 Å²	177	90 Å²	90	67%	0.668	47%	0.47	S	S	*	.	H	α-helix	trans	-63	-45	175.7	-174.2	-178.7	-176.8	-178.6	1.7	111.5	E707 E708 K709 A714 Q715	E707-R711 VanDerWaalsContact O-CB 3.27Å; E707-R711 WeakPolarHBondContact O-CB 3.2Å; E707-R711 PolarHBondContact O-N 3.36Å; E708-R711 WeakPolarHBondContact O-CB 3.13Å; E708-R711 PolarHBondContact O-N 2.85Å; K709-R711 VanDerWaalsContact C-N 3.3Å; K709-R711 PolarHBondContact O-N 3.05Å; R711-A714 PolarHBondContact O-N 2.86Å; R711-Q715 WeakPolarHBondContact O-CG 3.31Å; R711-Q715 PolarHBondContact O-N 3.33Å
712	L	81	Confident	78.9	Confident	85 Å²	85	92.7 Å²	92.7	45%	0.445	48%	0.48	S	S	.	.	H	α-helix	trans	-64.9	-43.9	176.4	-71.8	170.7	0	0	0	111.4	E708 K709 A714 Q715 L716	E708-L712 HydrophobicContact CG-CD1 4.12Å; E708-L712 WeakPolarHBondContact O-CB 3.44Å; E708-L712 VanDerWaalsContact O-CG 3.31Å; E708-L712 WeakPolarHBondContact O-CG 3.47Å; E708-L712 PolarHBondContact O-N 3.02Å; K709-L712 PolarHBondContact O-N 3.38Å; L712-A714 VanDerWaalsContact C-N 3.34Å; L712-A714 PolarHBondContact O-N 3.25Å; L712-Q715 PolarHBondContact O-N 3.02Å; L712-L716 WeakPolarHBondContact O-CB 3.46Å; L712-L716 WeakPolarHBondContact O-CD1 3.47Å; L712-L716 PolarHBondContact O-N 2.99Å
713	E	83.5	Confident	79.3	Confident	100 Å²	100	93.4 Å²	93.4	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-60.4	-42.2	175.5	-76.1	176.9	163.6	0	0	111.8	K709 Q710 L716 A717	K709-E713 WeakPolarHBondContact CE-OE1 3.16Å; K709-E713 HydrophobicContact CG-CG 4.41Å; K709-E713 IonicContact NZ-OE1 3.71Å; K709-E713 WeakPolarHBondContact O-CB 3.32Å; K709-E713 WeakPolarHBondContact O-CG 3.49Å; K709-E713 PolarHBondContact O-N 3.47Å; Q710-E713 PolarHBondContact O-N 2.87Å; E713-L716 PolarHBondContact O-N 3.39Å; E713-A717 WeakPolarHBondContact O-CB 3.31Å; E713-A717 PolarHBondContact O-N 3.45Å
714	A	82.4	Confident	79.7	Confident	69 Å²	69	95.8 Å²	95.8	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-64.6	-39.2	175.2	0	0	0	0	0	112.3	Q710 R711 L712 G718	Q710-A714 WeakPolarHBondContact O-CB 3.49Å; Q710-A714 PolarHBondContact O-N 3.5Å; R711-A714 PolarHBondContact O-N 2.86Å; L712-A714 VanDerWaalsContact C-N 3.34Å; L712-A714 PolarHBondContact O-N 3.25Å; A714-G718 PolarHBondContact O-N 3.21Å
715	Q	81.1	Confident	80.1	Confident	107 Å²	107	100 Å²	100	50%	0.5	51%	0.505	S	S	.	.	H	α-helix	trans	-66	-43.6	174.3	-74.8	177.3	-18.6	0	0	111.8	R711 L712 A717 G718 I719	R711-Q715 WeakPolarHBondContact O-CG 3.31Å; R711-Q715 PolarHBondContact O-N 3.33Å; L712-Q715 PolarHBondContact O-N 3.02Å; Q715-A717 VanDerWaalsContact C-N 3.35Å; Q715-A717 PolarHBondContact O-N 3.32Å; Q715-G718 PolarHBondContact O-N 3.15Å; Q715-I719 PolarHBondContact O-N 2.83Å
716	L	79.8	Confident	80.2	Confident	112 Å²	112	99.2 Å²	99.2	59%	0.586	50%	0.502	S	S	*	.	H	α-helix	trans	-60.7	-40.7	176.2	-91.4	145.8	0	0	0	112.2	L712 E713 G718 I719	L712-L716 WeakPolarHBondContact O-CB 3.46Å; L712-L716 WeakPolarHBondContact O-CD1 3.47Å; L712-L716 PolarHBondContact O-N 2.99Å; E713-L716 PolarHBondContact O-N 3.39Å; L716-G718 PolarHBondContact O-N 3.03Å; L716-I719 HydrophobicContact CD2-CD1 4.08Å; L716-I719 HydrophobicContact CG-CD1 4.31Å; L716-I719 WeakPolarHBondContact O-CB 3.13Å; L716-I719 PolarHBondContact O-N 3.47Å
717	A	79.9	Confident	80.3	Confident	76 Å²	76	100 Å²	100	63%	0.628	50%	0.504	S	S	*	.	H	α-helix	trans	-62.3	-28.4	177.4	0	0	0	0	0	113.3	E713 Q715 P720	E713-A717 WeakPolarHBondContact O-CB 3.31Å; E713-A717 PolarHBondContact O-N 3.45Å; Q715-A717 VanDerWaalsContact C-N 3.35Å; Q715-A717 PolarHBondContact O-N 3.32Å; A717-P720 WeakPolarHBondContact O-CD 3.12Å
718	G	79.9	Confident	80.3	Confident	24 Å²	24	98.8 Å²	98.8	25%	0.247	50%	0.499	C	S	.	.	H	α-helix	trans	-84.6	-11.3	177.5	0	0	0	0	0	115.2	A714 Q715 L716 E721 M722	A714-G718 PolarHBondContact O-N 3.21Å; Q715-G718 PolarHBondContact O-N 3.15Å; L716-G718 PolarHBondContact O-N 3.03Å; G718-E721 PolarHBondContact O-N 2.67Å; G718-M722 WeakPolarHBondContact O-CG 3.29Å; G718-M722 PolarHBondContact O-N 2.9Å; G718-M722 VanDerWaalsContact O-N 3.15Å
719	I	83.1	Confident	80.2	Confident	66 Å²	66	97.1 Å²	97.1	34%	0.338	49%	0.493	S	S	.	.	H	α-helix	trans	-59.3	-43.3	-178.2	-66.9	178.3	0	0	0	113.2	Q715 L716 E721 M722 Q723	Q715-I719 PolarHBondContact O-N 2.83Å; L716-I719 HydrophobicContact CD2-CD1 4.08Å; L716-I719 HydrophobicContact CG-CD1 4.31Å; L716-I719 WeakPolarHBondContact O-CB 3.13Å; L716-I719 PolarHBondContact O-N 3.47Å; I719-E721 PolarHBondContact O-N 3.43Å; I719-M722 HydrophobicContact CG1-CE 4.22Å; I719-M722 PolarHBondContact O-N 2.93Å; I719-Q723 HydrophobicContact CG2-CG 4.11Å; I719-Q723 WeakPolarHBondContact O-CB 3.32Å; I719-Q723 WeakPolarHBondContact O-CG 3.48Å; I719-Q723 PolarHBondContact O-N 3.27Å
720	P	78.6	Confident	80.1	Confident	67 Å²	67	92.6 Å²	92.6	44%	0.435	48%	0.476	S	S	.	.	H	α-helix	trans	-63	-38.2	-179.1	-22.2	33.5	0	0	0	113.3	A717 Q723 N724	A717-P720 WeakPolarHBondContact O-CD 3.12Å; P720-Q723 PolarHBondContact O-N 2.86Å; P720-N724 PolarHBondContact O-N 3.45Å
721	E	80.1	Confident	79.8	Confident	152 Å²	152	95.6 Å²	95.6	71%	0.71	49%	0.487	S	S	*	.	H	α-helix	trans	-68.8	-41.4	176.2	-71.3	-172.4	163.1	0	0	111.5	G718 I719 Q723 N724 R725	G718-E721 PolarHBondContact O-N 2.67Å; I719-E721 PolarHBondContact O-N 3.43Å; E721-Q723 VanDerWaalsContact C-N 3.33Å; E721-Q723 PolarHBondContact O-N 2.84Å; E721-N724 PolarHBondContact O-N 3.35Å; E721-R725 WeakPolarHBondContact O-CB 3.27Å; E721-R725 PolarHBondContact O-N 2.9Å
722	M	78.3	Confident	79.7	Confident	121 Å²	121	93.5 Å²	93.5	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-63.3	-38.9	174.3	-70.5	-168.2	-72	0	0	111.8	G718 I719 R725 L726	G718-M722 WeakPolarHBondContact O-CG 3.29Å; G718-M722 PolarHBondContact O-N 2.9Å; G718-M722 VanDerWaalsContact O-N 3.15Å; I719-M722 HydrophobicContact CG1-CE 4.22Å; I719-M722 PolarHBondContact O-N 2.93Å; M722-R725 PolarHBondContact O-N 2.9Å; M722-L726 VanDerWaalsContact O-CB 3.28Å; M722-L726 WeakPolarHBondContact O-CB 3.21Å; M722-L726 PolarHBondContact O-N 2.83Å
723	Q	79.6	Confident	79.5	Confident	82 Å²	82	95.4 Å²	95.4	38%	0.383	50%	0.498	S	S	.	.	H	α-helix	trans	-65.1	-43.7	174.5	-76.7	175.9	-22	0	0	112.1	I719 P720 E721 L726 N727 L739	I719-Q723 HydrophobicContact CG2-CG 4.11Å; I719-Q723 WeakPolarHBondContact O-CB 3.32Å; I719-Q723 WeakPolarHBondContact O-CG 3.48Å; I719-Q723 PolarHBondContact O-N 3.27Å; P720-Q723 PolarHBondContact O-N 2.86Å; E721-Q723 VanDerWaalsContact C-N 3.33Å; E721-Q723 PolarHBondContact O-N 2.84Å; Q723-L726 PolarHBondContact O-N 3.45Å; Q723-N727 WeakPolarHBondContact O-CB 3.25Å; Q723-N727 PolarHBondContact O-N 3.04Å; Q723-N727 PolarHBondContact O-ND2 3.29Å; Q723-L739 HydrophobicContact CG-CD1 4.49Å
724	N	80.6	Confident	78.8	Confident	105 Å²	105	93.9 Å²	93.9	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-62.7	-43.7	175.2	-78.9	-22.2	0	0	0	111.7	P720 E721 L726 N727 E728	P720-N724 PolarHBondContact O-N 3.45Å; E721-N724 PolarHBondContact O-N 3.35Å; N724-L726 VanDerWaalsContact C-N 3.34Å; N724-L726 PolarHBondContact O-N 2.89Å; N724-N727 PolarHBondContact O-N 2.88Å; N724-E728 PolarHBondContact O-N 2.86Å
725	R	80.7	Confident	78.3	Confident	146 Å²	146	95.8 Å²	95.8	55%	0.551	51%	0.509	S	S	*	.	H	α-helix	trans	-65.7	-38	178	-171	56.7	172	179.5	-1.1	112.3	E721 M722 E728 L729	E721-R725 WeakPolarHBondContact O-CB 3.27Å; E721-R725 PolarHBondContact O-N 2.9Å; M722-R725 PolarHBondContact O-N 2.9Å; R725-E728 WeakPolarHBondContact CD-OE2 3.38Å; R725-E728 IonicContact CZ-OE2 3.75Å; R725-E728 IonicContact NH1-OE2 2.81Å; R725-E728 PolarHBondContact NH1-OE2 2.81Å; R725-E728 PolarHBondContact O-N 3.39Å; R725-L729 HydrophobicContact CG-CD1 4.38Å; R725-L729 VanDerWaalsContact O-CG 3.3Å; R725-L729 WeakPolarHBondContact O-CG 3.32Å; R725-L729 PolarHBondContact O-N 3.43Å
726	L	76.9	Confident	77.2	Confident	81 Å²	81	98 Å²	98	42%	0.424	52%	0.524	S	S	.	.	H	α-helix	trans	-64.2	-42.7	173.8	-171.9	71.6	0	0	0	111.2	M722 Q723 N724 E728 L729 C730 L739	M722-L726 VanDerWaalsContact O-CB 3.28Å; M722-L726 WeakPolarHBondContact O-CB 3.21Å; M722-L726 PolarHBondContact O-N 2.83Å; Q723-L726 PolarHBondContact O-N 3.45Å; N724-L726 VanDerWaalsContact C-N 3.34Å; N724-L726 PolarHBondContact O-N 2.89Å; L726-E728 VanDerWaalsContact C-N 3.34Å; L726-E728 PolarHBondContact O-N 3.42Å; L726-L729 PolarHBondContact O-N 3.39Å; L726-C730 WeakPolarHBondContact O-CB 3.4Å; L726-C730 PolarHBondContact O-N 3.4Å; L726-C730 PolarHBondContact O-SG 3.24Å; L726-L739 HydrophobicContact CD2-CD1 3.74Å
727	N	76.9	Confident	76	Confident	58 Å²	58	94.1 Å²	94.1	31%	0.31	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-37.5	175.1	-76.3	-22.4	0	0	0	112.7	Q723 N724 K731	Q723-N727 WeakPolarHBondContact O-CB 3.25Å; Q723-N727 PolarHBondContact O-N 3.04Å; Q723-N727 PolarHBondContact O-ND2 3.29Å; N724-N727 PolarHBondContact O-N 2.88Å; N727-K731 WeakPolarHBondContact O-CG 3.42Å; N727-K731 PolarHBondContact O-N 3.5Å; N727-K731 VanDerWaalsContact O-N 3.09Å
728	E	79.5	Confident	74.8	Confident	98 Å²	98	97.1 Å²	97.1	46%	0.458	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-45.9	171.5	-75.1	-177.6	166.3	0	0	111.8	N724 R725 L726 K731 I732	N724-E728 PolarHBondContact O-N 2.86Å; R725-E728 WeakPolarHBondContact CD-OE2 3.38Å; R725-E728 IonicContact CZ-OE2 3.75Å; R725-E728 IonicContact NH1-OE2 2.81Å; R725-E728 PolarHBondContact NH1-OE2 2.81Å; R725-E728 PolarHBondContact O-N 3.39Å; L726-E728 VanDerWaalsContact C-N 3.34Å; L726-E728 PolarHBondContact O-N 3.42Å; E728-K731 WeakPolarHBondContact O-CB 3.29Å; E728-K731 PolarHBondContact O-N 3.48Å; E728-I732 VanDerWaalsContact O-CG1 3.29Å; E728-I732 WeakPolarHBondContact O-CG1 3.37Å; E728-I732 PolarHBondContact O-N 3.19Å
729	L	77.7	Confident	73.5	Confident	74 Å²	74	100.8 Å²	100.8	39%	0.387	53%	0.53	S	S	.	.	H	α-helix	trans	-65.2	-42.4	179.6	-72.2	169.8	0	0	0	112	R725 L726 K731 I732 L733	R725-L729 HydrophobicContact CG-CD1 4.38Å; R725-L729 VanDerWaalsContact O-CG 3.3Å; R725-L729 WeakPolarHBondContact O-CG 3.32Å; R725-L729 PolarHBondContact O-N 3.43Å; L726-L729 PolarHBondContact O-N 3.39Å; L729-K731 VanDerWaalsContact C-N 3.32Å; L729-K731 PolarHBondContact O-N 2.9Å; L729-I732 PolarHBondContact O-N 3.47Å; L729-I732 VanDerWaalsContact O-N 3.14Å; L729-L733 WeakPolarHBondContact O-CB 3.29Å; L729-L733 WeakPolarHBondContact O-CG 3.2Å; L729-L733 PolarHBondContact O-N 3.05Å
730	C	76.4	Confident	71.7	Confident	24 Å²	24	106.2 Å²	106.2	16%	0.162	55%	0.552	C	S	.	*	H	α-helix	trans	-60.1	-41.3	174.1	-72.2	0	0	0	0	111.6	L726 I732 L733 G734 D735	L726-C730 WeakPolarHBondContact O-CB 3.4Å; L726-C730 PolarHBondContact O-N 3.4Å; L726-C730 PolarHBondContact O-SG 3.24Å; C730-I732 VanDerWaalsContact C-N 3.32Å; C730-I732 PolarHBondContact O-N 3.08Å; C730-L733 PolarHBondContact O-N 3.27Å; C730-G734 PolarHBondContact O-N 3.06Å; C730-D735 WeakPolarHBondContact CB-O 3.44Å; C730-D735 PolarHBondContact O-N 3.14Å
731	K	77.4	Confident	70	Confident	183 Å²	183	109.2 Å²	109.2	80%	0.796	57%	0.569	S	S	*	*	H	α-helix	trans	-62.4	-36.1	173.5	-79.7	177.9	179.4	177.2	0	113.4	N727 E728 L729	N727-K731 WeakPolarHBondContact O-CG 3.42Å; N727-K731 PolarHBondContact O-N 3.5Å; N727-K731 VanDerWaalsContact O-N 3.09Å; E728-K731 WeakPolarHBondContact O-CB 3.29Å; E728-K731 PolarHBondContact O-N 3.48Å; L729-K731 VanDerWaalsContact C-N 3.32Å; L729-K731 PolarHBondContact O-N 2.9Å
732	I	79.9	Confident	68.1	Low	134 Å²	134	106.8 Å²	106.8	69%	0.687	57%	0.574	S	S	*	*	H	α-helix	trans	-74.9	-37.7	179.7	-68.3	164.7	0	0	0	111.3	E728 L729 C730	E728-I732 VanDerWaalsContact O-CG1 3.29Å; E728-I732 WeakPolarHBondContact O-CG1 3.37Å; E728-I732 PolarHBondContact O-N 3.19Å; L729-I732 PolarHBondContact O-N 3.47Å; L729-I732 VanDerWaalsContact O-N 3.14Å; C730-I732 VanDerWaalsContact C-N 3.32Å; C730-I732 PolarHBondContact O-N 3.08Å
733	L	78.4	Confident	66.1	Low	125 Å²	125	110.1 Å²	110.1	65%	0.654	59%	0.589	S	S	*	*	H	α-helix	trans	-83.8	-13.6	-176.9	-70.5	164.5	0	0	0	113.5	L729 C730 D735	L729-L733 WeakPolarHBondContact O-CB 3.29Å; L729-L733 WeakPolarHBondContact O-CG 3.2Å; L729-L733 PolarHBondContact O-N 3.05Å; C730-L733 PolarHBondContact O-N 3.27Å; L733-D735 VanDerWaalsContact C-N 3.31Å
734	G	68.1	Low	64.2	Low	67 Å²	67	115.9 Å²	115.9	69%	0.691	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.8	14.1	-179.6	0	0	0	0	0	114	C730	C730-G734 PolarHBondContact O-N 3.06Å
735	D	72.4	Confident	61.8	Low	109 Å²	109	115 Å²	115	58%	0.583	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-94.6	138.1	178	-71.3	-27.4	0	0	0	110.6	C730 L733 S737	C730-D735 WeakPolarHBondContact CB-O 3.44Å; C730-D735 PolarHBondContact O-N 3.14Å; L733-D735 VanDerWaalsContact C-N 3.31Å; D735-S737 PolarHBondContact O-N 3.2Å
736	D	58	Low	59.3	Low	154 Å²	154	111.8 Å²	111.8	82%	0.824	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-67.2	118.8	171	-87.8	-29.8	0	0	0	109.7	V738	D736-V738 PolarHBondContact O-N 3.46Å
737	S	54.1	Low	57.1	Low	31 Å²	31	112.1 Å²	112.1	22%	0.217	67%	0.667	C	S	.	*	P	Polyproline II helix	trans	-59.7	120.4	177.3	58.7	0	0	0	0	110.7	D735 L739	D735-S737 PolarHBondContact O-N 3.2Å; S737-L739 PolarHBondContact O-N 3.5Å
738	V	55.2	Low	54.8	Low	139 Å²	139	112.9 Å²	112.9	84%	0.842	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-10	-177.6	177.7	0	0	0	0	113.9	D736 K740	D736-V738 PolarHBondContact O-N 3.46Å; V738-K740 VanDerWaalsContact C-N 3.34Å; V738-K740 PolarHBondContact O-N 3.32Å
739	L	51.5	Low	52.5	Low	101 Å²	101	118 Å²	118	53%	0.529	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.7	12.4	-177.8	-86.9	152	0	0	0	115.7	Q723 L726 S737 T741	Q723-L739 HydrophobicContact CG-CD1 4.49Å; L726-L739 HydrophobicContact CD2-CD1 3.74Å; S737-L739 PolarHBondContact O-N 3.5Å; L739-T741 PolarHBondContact O-N 3.14Å; L739-T741 VanDerWaalsContact O-N 3.1Å
740	K	45.8	Very low	50.2	Low	180 Å²	180	118.3 Å²	118.3	78%	0.783	73%	0.733	S	S	*	*			trans	-81.4	60.5	167.2	-88.7	-174	175.3	175.9	0	112.1	V738	V738-K740 VanDerWaalsContact C-N 3.34Å; V738-K740 PolarHBondContact O-N 3.32Å
741	T	42.1	Very low	48.1	Very low	130 Å²	130	124.4 Å²	124.4	80%	0.798	76%	0.764	S	S	*	*			trans	-156.9	82.9	164.5	31.9	0	0	0	0	110.6	L739	L739-T741 PolarHBondContact O-N 3.14Å; L739-T741 VanDerWaalsContact O-N 3.1Å
742	A	39.7	Very low	45.9	Very low	100 Å²	100	124.3 Å²	124.3	83%	0.826	77%	0.766	S	S	*	*	S	Bend	trans	-164.2	-5.8	157.2	0	0	0	0	0	115.8
743	E	37.8	Very low	43.5	Very low	192 Å²	192	121.7 Å²	121.7	90%	0.897	77%	0.773	S	S	*	*	S	Bend	trans	-134.9	49.1	-178	-69.9	-168.4	163.4	0	0	114
744	E	38.3	Very low	41.3	Very low	202 Å²	202	124.9 Å²	124.9	94%	0.944	78%	0.781	S	S	*	*			trans	-141.5	94.5	157.3	-75.8	-168.1	167.1	0	0	109.2
745	G	31.8	Very low	39.5	Very low	86 Å²	86	129.1 Å²	129.1	89%	0.887	78%	0.783	S	S	*	*			trans	176.7	66.8	178.7	0	0	0	0	0	113.8
746	G	28.3	Very low	37.5	Very low	79 Å²	79	130.4 Å²	130.4	81%	0.814	79%	0.79	S	S	*	*			trans	163.3	73	170.2	0	0	0	0	0	113.9
747	G	29.5	Very low	36.1	Very low	89 Å²	89	131.7 Å²	131.7	92%	0.918	80%	0.796	S	S	*	*			trans	-66.4	143.6	168.8	0	0	0	0	0	111.8
748	G	28.6	Very low	35	Very low	73 Å²	73	134.4 Å²	134.4	75%	0.753	82%	0.82	S	S	*	*			trans	163.4	68.3	168.6	0	0	0	0	0	116.9
749	H	30.9	Very low	33.9	Very low	206 Å²	206	134 Å²	134	95%	0.954	82%	0.818	S	S	*	*			trans	58.7	121	144.8	-103.2	45.2	0	0	0	120.7
750	G	29.5	Very low	33	Very low	81 Å²	81	138.6 Å²	138.6	84%	0.835	83%	0.834	S	S	*	*			trans	164.6	96.1	160.5	0	0	0	0	0	113.6
751	D	32.4	Very low	32.6	Very low	151 Å²	151	142.1 Å²	142.1	81%	0.807	85%	0.852	S	S	*	*			trans	-69	162.7	-169.2	-142.8	-13.4	0	0	0	116.2
752	E	32	Very low	32.1	Very low	181 Å²	181	142.7 Å²	142.7	85%	0.846	86%	0.855	S	S	*	*			trans	68.8	123.6	154.9	-61.4	-170.3	150.2	0	0	122.6
753	G	29.1	Very low	31.7	Very low	80 Å²	80	144.9 Å²	144.9	83%	0.825	86%	0.857	S	S	*	*			trans	161.7	60.4	156.4	0	0	0	0	0	117.4
754	K	32.2	Very low	31.3	Very low	192 Å²	192	142.3 Å²	142.3	84%	0.835	85%	0.854	S	S	*	*			trans	-57.6	145.9	172	-92	178	178.9	171.9	0	113.7
755	Q	30.6	Very low	30.9	Very low	156 Å²	156	138.8 Å²	138.8	73%	0.729	85%	0.849	S	S	*	*			trans	104.6	118	135.1	-86.3	172.5	-6.8	0	0	121.8
756	N	29.4	Very low	30.9	Very low	136 Å²	136	142.1 Å²	142.1	73%	0.727	85%	0.847	S	S	*	*			trans	90	101.5	136.8	-64.4	-12.3	0	0	0	118.9
757	L	29.5	Very low	31.1	Very low	180 Å²	180	146.3 Å²	146.3	94%	0.942	85%	0.849	S	S	*	*			trans	-130.1	115.4	131.9	-125.3	97.3	0	0	0	109.7
758	A	31	Very low	31.2	Very low	88 Å²	88	150.4 Å²	150.4	73%	0.727	84%	0.844	S	S	*	*			trans	-74.8	138.3	173.8	0	0	0	0	0	110.4
759	V	32.2	Very low	31.4	Very low	131 Å²	131	156.4 Å²	156.4	79%	0.794	85%	0.851	S	S	*	*			trans	-55.8	131.8	156.5	174.1	0	0	0	0	109.3
760	F	32.6	Very low	31.4	Very low	197 Å²	197	152.3 Å²	152.3	86%	0.864	84%	0.842	S	S	*	*			trans	-148.5	140.3	144.1	-100.6	-76.8	0	0	0	110.1
761	H	36.4	Very low	31.6	Very low	254 Å²	254	158.7 Å²	158.7	100%	1.176	84%	0.843	S	S	*	*			trans	-45.2	0	173.8	-96.5	-80.6	0	0	0	115.8

Retrieved 761 of 761 residues in 343.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).