A0A077ZKV9_TRITR Loading...

YfiO domain containing protein

AlphaFold DB (P0AC02), UniProt , Accession A0A077ZKV9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.8	Low	76	Confident	205 Å²	205	120.3 Å²	120.3	100%	1.01	62%	0.618	S	S	*	*				0	-28.7	0	-63	-177.3	-159.9	0	0	113.8
2	T	70.2	Confident	76.3	Confident	92 Å²	92	115.8 Å²	115.8	56%	0.564	60%	0.6	S	S	*	*	H	α-helix	trans	-65.9	-41	179	13	0	0	0	0	114.1	M4 K5 Y6	T2-M4 VanDerWaalsContact C-N 3.3Å; T2-M4 PolarHBondContact O-N 3.3Å; T2-K5 PolarHBondContact O-N 3.23Å; T2-Y6 HydrophobicContact CG2-CE2 4.33Å; T2-Y6 WeakPolarHBondContact O-CD2 3.44Å; T2-Y6 WeakPolarHBondContact O-CE2 3.35Å; T2-Y6 PolarHBondContact O-N 3.43Å
3	R	69.6	Low	76.3	Confident	217 Å²	217	115.2 Å²	115.2	82%	0.819	60%	0.598	S	S	*	*	H	α-helix	trans	-60.8	-33.3	178.7	-72.1	-165.8	175.1	-164.1	-0.7	114.2	L7	R3-L7 PolarHBondContact O-N 3.38Å
4	M	73.5	Confident	76.2	Confident	130 Å²	130	112.1 Å²	112.1	64%	0.64	59%	0.591	S	S	*	*	H	α-helix	trans	-70.6	-35.6	177.8	-165.1	68.7	83.1	0	0	112	T2 Y6 L7 V8	T2-M4 VanDerWaalsContact C-N 3.3Å; T2-M4 PolarHBondContact O-N 3.3Å; M4-Y6 VanDerWaalsContact C-N 3.34Å; M4-Y6 PolarHBondContact O-N 3.25Å; M4-L7 PolarHBondContact O-N 2.85Å; M4-V8 WeakPolarHBondContact O-CG2 3.35Å; M4-V8 PolarHBondContact O-N 3.04Å; M4-V8 VanDerWaalsContact O-N 3.1Å
5	K	77.9	Confident	76	Confident	150 Å²	150	113.9 Å²	113.9	65%	0.652	60%	0.6	S	S	*	*	H	α-helix	trans	-63.5	-39.8	177.3	-65.7	-177	176	-173.9	0	111.9	T2 A9	T2-K5 PolarHBondContact O-N 3.23Å; K5-A9 WeakPolarHBondContact O-CB 3.49Å; K5-A9 PolarHBondContact O-N 3.11Å
6	Y	80.5	Confident	75.5	Confident	163 Å²	163	116.6 Å²	116.6	64%	0.639	61%	0.606	S	S	*	*	H	α-helix	trans	-68.9	-36.1	177.6	-62.6	-65	0	0	0	112.7	T2 M4 A9 A10	T2-Y6 HydrophobicContact CG2-CE2 4.33Å; T2-Y6 WeakPolarHBondContact O-CD2 3.44Å; T2-Y6 WeakPolarHBondContact O-CE2 3.35Å; T2-Y6 PolarHBondContact O-N 3.43Å; M4-Y6 VanDerWaalsContact C-N 3.34Å; M4-Y6 PolarHBondContact O-N 3.25Å; Y6-A9 PolarHBondContact O-N 3.26Å; Y6-A10 VanDerWaalsContact O-CB 3.26Å; Y6-A10 WeakPolarHBondContact O-CB 3.46Å; Y6-A10 PolarHBondContact O-N 3.32Å
7	L	77.6	Confident	74.8	Confident	119 Å²	119	117.2 Å²	117.2	62%	0.623	61%	0.609	S	S	*	*	H	α-helix	trans	-66.6	-42.4	175.8	-74.4	169.8	0	0	0	112.2	R3 M4 A10 A11	R3-L7 PolarHBondContact O-N 3.38Å; M4-L7 PolarHBondContact O-N 2.85Å; L7-A10 PolarHBondContact O-N 3.1Å; L7-A11 WeakPolarHBondContact O-CB 3.35Å; L7-A11 PolarHBondContact O-N 3.23Å
8	V	81.8	Confident	74.2	Confident	87 Å²	87	115.7 Å²	115.7	53%	0.527	62%	0.616	S	S	.	*	H	α-helix	trans	-66.7	-43.1	175.7	175.8	0	0	0	0	111	M4 A10 A11 T12	M4-V8 WeakPolarHBondContact O-CG2 3.35Å; M4-V8 PolarHBondContact O-N 3.04Å; M4-V8 VanDerWaalsContact O-N 3.1Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 3.05Å; V8-A11 PolarHBondContact O-N 3.37Å; V8-T12 WeakPolarHBondContact O-CB 3.46Å; V8-T12 PolarHBondContact O-N 3.42Å; V8-T12 PolarHBondContact O-OG1 2.94Å
9	A	81.1	Confident	73.6	Confident	57 Å²	57	113.1 Å²	113.1	47%	0.471	62%	0.62	S	S	.	*	H	α-helix	trans	-62.4	-41.6	176.5	0	0	0	0	0	111.9	K5 Y6 T12 L13	K5-A9 WeakPolarHBondContact O-CB 3.49Å; K5-A9 PolarHBondContact O-N 3.11Å; Y6-A9 PolarHBondContact O-N 3.26Å; A9-T12 PolarHBondContact O-N 2.88Å; A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 3.42Å
10	A	81.3	Confident	72.9	Confident	51 Å²	51	113.5 Å²	113.5	42%	0.421	63%	0.63	S	S	.	*	H	α-helix	trans	-63.6	-48.1	175.5	0	0	0	0	0	111.7	Y6 L7 V8 T12 L13 S14	Y6-A10 VanDerWaalsContact O-CB 3.26Å; Y6-A10 WeakPolarHBondContact O-CB 3.46Å; Y6-A10 PolarHBondContact O-N 3.32Å; L7-A10 PolarHBondContact O-N 3.1Å; V8-A10 VanDerWaalsContact C-N 3.34Å; V8-A10 PolarHBondContact O-N 3.05Å; A10-T12 VanDerWaalsContact C-N 3.33Å; A10-T12 PolarHBondContact O-N 3.01Å; A10-L13 PolarHBondContact O-N 3.02Å; A10-S14 PolarHBondContact O-N 3.09Å; A10-S14 PolarHBondContact O-OG 3.31Å
11	A	80.7	Confident	71.8	Confident	52 Å²	52	113.8 Å²	113.8	43%	0.43	64%	0.64	S	S	.	*	H	α-helix	trans	-60	-42.1	177.6	0	0	0	0	0	112.4	L7 V8 S14 L15	L7-A11 WeakPolarHBondContact O-CB 3.35Å; L7-A11 PolarHBondContact O-N 3.23Å; V8-A11 PolarHBondContact O-N 3.37Å; A11-S14 PolarHBondContact O-N 3.26Å; A11-L15 WeakPolarHBondContact O-CD1 3.26Å; A11-L15 PolarHBondContact O-N 3.25Å; A11-L15 VanDerWaalsContact O-N 3.09Å
12	T	79.4	Confident	71.4	Confident	66 Å²	66	107.1 Å²	107.1	41%	0.405	62%	0.624	S	S	.	*	H	α-helix	trans	-64.3	-42.8	176.9	-41.3	0	0	0	0	111	V8 A9 A10 L15 F16	V8-T12 WeakPolarHBondContact O-CB 3.46Å; V8-T12 PolarHBondContact O-N 3.42Å; V8-T12 PolarHBondContact O-OG1 2.94Å; A9-T12 PolarHBondContact O-N 2.88Å; A10-T12 VanDerWaalsContact C-N 3.33Å; A10-T12 PolarHBondContact O-N 3.01Å; T12-L15 WeakPolarHBondContact O-CB 3.49Å; T12-L15 PolarHBondContact O-N 3.01Å; T12-F16 HydrophobicContact CG2-CD2 4.22Å; T12-F16 HydrophobicContact CG2-CE2 3.99Å; T12-F16 VanDerWaalsContact O-CD2 3.23Å; T12-F16 WeakPolarHBondContact O-CD2 3.39Å; T12-F16 PolarHBondContact O-N 2.93Å; T12-F16 VanDerWaalsContact O-N 3.11Å
13	L	77.2	Confident	70.7	Confident	108 Å²	108	108.1 Å²	108.1	57%	0.565	64%	0.635	S	S	*	*	H	α-helix	trans	-67.3	-36.9	178.3	-166.5	67.3	0	0	0	112.2	A9 A10 L15 F16 L17	A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 3.42Å; A10-L13 PolarHBondContact O-N 3.02Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.35Å; L13-F16 PolarHBondContact O-N 3.44Å; L13-L17 HydrophobicContact CG-CD1 4.02Å; L13-L17 WeakPolarHBondContact O-CD1 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 3.48Å
14	S	74	Confident	70.1	Confident	73 Å²	73	107.3 Å²	107.3	51%	0.51	64%	0.637	S	S	.	*	H	α-helix	trans	-61.6	-40.2	173.1	-53.1	0	0	0	0	112.2	A10 A11 F16 L17 A18	A10-S14 PolarHBondContact O-N 3.09Å; A10-S14 PolarHBondContact O-OG 3.31Å; A11-S14 PolarHBondContact O-N 3.26Å; S14-F16 VanDerWaalsContact C-N 3.32Å; S14-L17 PolarHBondContact O-N 3.23Å; S14-A18 PolarHBondContact O-N 3.08Å
15	L	73	Confident	69.8	Low	139 Å²	139	106.6 Å²	106.6	73%	0.728	63%	0.632	S	S	*	*	H	α-helix	trans	-66.2	-33.2	175.3	-84.2	150.7	0	0	0	112.2	A11 T12 L13	A11-L15 WeakPolarHBondContact O-CD1 3.26Å; A11-L15 PolarHBondContact O-N 3.25Å; A11-L15 VanDerWaalsContact O-N 3.09Å; T12-L15 WeakPolarHBondContact O-CB 3.49Å; T12-L15 PolarHBondContact O-N 3.01Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.35Å
16	F	68.3	Low	69.8	Low	157 Å²	157	107.9 Å²	107.9	69%	0.689	64%	0.641	S	S	*	*	H	α-helix	trans	-73	-36.4	172.6	-84.7	-72.9	0	0	0	113	T12 L13 S14 G19	T12-F16 HydrophobicContact CG2-CD2 4.22Å; T12-F16 HydrophobicContact CG2-CE2 3.99Å; T12-F16 VanDerWaalsContact O-CD2 3.23Å; T12-F16 WeakPolarHBondContact O-CD2 3.39Å; T12-F16 PolarHBondContact O-N 2.93Å; T12-F16 VanDerWaalsContact O-N 3.11Å; L13-F16 PolarHBondContact O-N 3.44Å; S14-F16 VanDerWaalsContact C-N 3.32Å; F16-G19 PolarHBondContact O-N 3.06Å
17	L	64.3	Low	70	Confident	127 Å²	127	100.9 Å²	100.9	67%	0.665	61%	0.614	S	S	*	*	H	α-helix	trans	-75.1	-28.4	-179.2	-77.8	156.6	0	0	0	113.2	L13 S14 G19	L13-L17 HydrophobicContact CG-CD1 4.02Å; L13-L17 WeakPolarHBondContact O-CD1 3.35Å; L13-L17 WeakPolarHBondContact O-CG 3.38Å; L13-L17 PolarHBondContact O-N 3.48Å; S14-L17 PolarHBondContact O-N 3.23Å; L17-G19 PolarHBondContact O-N 3.29Å
18	A	63.7	Low	70.4	Confident	89 Å²	89	98.5 Å²	98.5	74%	0.736	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-11.5	176.1	0	0	0	0	0	113.8	S14	S14-A18 PolarHBondContact O-N 3.08Å
19	G	62.7	Low	70.7	Confident	66 Å²	66	100.8 Å²	100.8	68%	0.68	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-6.5	-176	0	0	0	0	0	116.5	F16 L17	F16-G19 PolarHBondContact O-N 3.06Å; L17-G19 PolarHBondContact O-N 3.29Å
20	C	58.6	Low	71.1	Confident	122 Å²	122	101.1 Å²	101.1	82%	0.824	61%	0.609	S	S	*	*			trans	-118.4	25.6	-163.7	-112.6	0	0	0	0	116.2
21	S	51.7	Low	71.6	Confident	119 Å²	119	101.5 Å²	101.5	83%	0.832	61%	0.607	S	S	*	*			trans	-117.6	54	177.7	175.8	0	0	0	0	112.4
22	G	52	Low	72.1	Confident	66 Å²	66	100.8 Å²	100.8	68%	0.68	60%	0.598	S	S	*	*			trans	-109.8	82.6	172.9	0	0	0	0	0	111.3	K24	G22-K24 PolarHBondContact O-N 3.01Å
23	S	55.1	Low	72.8	Confident	113 Å²	113	101.8 Å²	101.8	79%	0.79	60%	0.601	S	S	*	*			trans	-61.7	126.8	163.2	49	0	0	0	0	108.1	E25	S23-E25 PolarHBondContact O-N 3.36Å
24	K	58.9	Low	73.6	Confident	200 Å²	200	101 Å²	101	87%	0.87	60%	0.595	S	S	*	*			trans	-60.8	113.7	171.9	-76.7	-177.1	178.3	-179.8	0	107.3	G22 E26	G22-K24 PolarHBondContact O-N 3.01Å; K24-E26 PolarHBondContact O-N 3.39Å; K24-E26 VanDerWaalsContact O-N 3.11Å
25	E	65.7	Low	74.6	Confident	115 Å²	115	97.7 Å²	97.7	54%	0.537	57%	0.571	S	S	.	*			trans	-65.3	109.1	174.7	-168	167.9	-179.5	0	0	107.6	S23 V27	S23-E25 PolarHBondContact O-N 3.36Å; E25-V27 PolarHBondContact O-N 2.89Å
26	E	79.2	Confident	75.7	Confident	177 Å²	177	92.9 Å²	92.9	83%	0.827	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-74.1	124.6	175.5	-73.2	-171.8	171.5	0	0	109.1	K24 P28	K24-E26 PolarHBondContact O-N 3.39Å; K24-E26 VanDerWaalsContact O-N 3.11Å; E26-P28 WeakPolarHBondContact O-CD 3.17Å
27	V	84.4	Confident	77	Confident	15 Å²	15	88.3 Å²	88.3	9%	0.091	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-67.8	121	174.4	177	0	0	0	0	108.4	E25 I35 T53 A57 R61	E25-V27 PolarHBondContact O-N 2.89Å; V27-I35 HydrophobicContact CG1-CD1 4.2Å; V27-I35 HydrophobicContact CG1-CG1 4.37Å; V27-I35 HydrophobicContact CG1-CG2 4.27Å; V27-T53 HydrophobicContact CG2-CG2 3.71Å; V27-A57 HydrophobicContact CB-CB 3.81Å; V27-A57 HydrophobicContact CG1-CB 3.89Å; V27-A57 HydrophobicContact CG2-CB 3.7Å; V27-R61 PolarHBondContact O-NH2 3.4Å
28	P	85.2	Confident	78.5	Confident	70 Å²	70	84.9 Å²	84.9	46%	0.455	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-54	154.9	177.2	-26	35.2	0	0	0	112.1	E26 N30 R61	E26-P28 WeakPolarHBondContact O-CD 3.17Å; P28-N30 PolarHBondContact O-N 2.9Å; P28-R61 PolarHBondContact O-NH1 2.87Å
29	D	87.4	Confident	80	Confident	135 Å²	135	80.6 Å²	80.6	72%	0.722	48%	0.484	S	S	*	.			trans	-81.3	56.7	176.6	-159.8	29.2	0	0	0	112.1	R61	D29-R61 IonicContact OD1-NH1 2.76Å; D29-R61 PolarHBondContact OD1-NH1 2.92Å
30	N	89.6	Confident	81.7	Confident	63 Å²	63	79.7 Å²	79.7	34%	0.337	46%	0.462	S	S	.	.			trans	-84	160.4	178.5	-68.3	-2.9	0	0	0	110.9	P28 E34 I35	P28-N30 PolarHBondContact O-N 2.9Å; N30-E34 HydrophobicContact CB-CB 4.16Å; N30-I35 HydrophobicContact CB-CG1 4.04Å; N30-I35 VanDerWaalsContact O-CD1 3.24Å; N30-I35 WeakPolarHBondContact O-CD1 3.39Å
31	P	91.8	Very high	83.6	Confident	59 Å²	59	78.5 Å²	78.5	38%	0.383	44%	0.444	S	S	.	.			trans	-53.5	148.7	171.7	-29.3	38.1	0	0	0	113.5	N33 E34 I35	P31-N33 VanDerWaalsContact C-N 3.27Å; P31-N33 WeakPolarHBondContact CB-OD1 3.27Å; P31-N33 PolarHBondContact O-N 3.31Å; P31-N33 VanDerWaalsContact O-N 3.14Å; P31-E34 PolarHBondContact O-N 3.05Å; P31-I35 PolarHBondContact O-N 3.19Å; P31-I35 VanDerWaalsContact O-N 3.16Å
32	P	92.1	Very high	85.7	Confident	37 Å²	37	75.4 Å²	75.4	24%	0.24	42%	0.416	C	S	.	.	H	α-helix	trans	-53.8	-38.1	-175.1	-24	27.4	0	0	0	114.9	Y36 L58 Y62	P32-Y36 VanDerWaalsContact O-CB 3.29Å; P32-Y36 WeakPolarHBondContact O-CB 3.47Å; P32-Y36 PolarHBondContact O-N 2.92Å; P32-L58 HydrophobicContact CB-CD1 3.8Å; P32-Y62 HydrophobicContact CB-CD2 4.19Å; P32-Y62 HydrophobicContact CB-CE2 4.2Å; P32-Y62 HydrophobicContact CB-CG 4.48Å; P32-Y62 HydrophobicContact CG-CD1 3.97Å; P32-Y62 HydrophobicContact CG-CD2 3.96Å; P32-Y62 HydrophobicContact CG-CE1 3.71Å; P32-Y62 HydrophobicContact CG-CE2 3.7Å; P32-Y62 HydrophobicContact CG-CG 4.08Å
33	N	94.1	Very high	87.9	Confident	87 Å²	87	72.9 Å²	72.9	47%	0.465	39%	0.387	S	S	.	.	H	α-helix	trans	-66.5	-36.6	178.9	59.9	-33.7	0	0	0	112.4	P31 A37	P31-N33 VanDerWaalsContact C-N 3.27Å; P31-N33 WeakPolarHBondContact CB-OD1 3.27Å; P31-N33 PolarHBondContact O-N 3.31Å; P31-N33 VanDerWaalsContact O-N 3.14Å; N33-A37 VanDerWaalsContact O-CB 3.3Å; N33-A37 WeakPolarHBondContact O-CB 3.47Å; N33-A37 PolarHBondContact O-N 3.31Å
34	E	94.3	Very high	89.9	Confident	93 Å²	93	74.2 Å²	74.2	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-72.4	-41.1	177.5	-69	-176.7	-163.8	0	0	111.9	N30 P31 Y36 A37 T38	N30-E34 HydrophobicContact CB-CB 4.16Å; P31-E34 PolarHBondContact O-N 3.05Å; E34-Y36 VanDerWaalsContact C-N 3.32Å; E34-A37 PolarHBondContact O-N 3.05Å; E34-T38 WeakPolarHBondContact O-CB 3.36Å; E34-T38 PolarHBondContact O-N 2.88Å; E34-T38 PolarHBondContact O-OG1 3.21Å
35	I	93.9	Very high	91.7	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-60.4	-46.9	173.3	-62.8	177.3	0	0	0	109.3	V27 N30 P31 T38 A39 Q54 L58	V27-I35 HydrophobicContact CG1-CD1 4.2Å; V27-I35 HydrophobicContact CG1-CG1 4.37Å; V27-I35 HydrophobicContact CG1-CG2 4.27Å; N30-I35 HydrophobicContact CB-CG1 4.04Å; N30-I35 VanDerWaalsContact O-CD1 3.24Å; N30-I35 WeakPolarHBondContact O-CD1 3.39Å; P31-I35 PolarHBondContact O-N 3.19Å; P31-I35 VanDerWaalsContact O-N 3.16Å; I35-T38 WeakPolarHBondContact O-CB 3.42Å; I35-T38 PolarHBondContact O-N 3.17Å; I35-A39 WeakPolarHBondContact O-CB 3.23Å; I35-A39 PolarHBondContact O-N 3.25Å; I35-Q54 HydrophobicContact CG2-CB 4.4Å; I35-Q54 WeakPolarHBondContact CG2-O 3.38Å; I35-L58 HydrophobicContact CB-CD1 4.49Å; I35-L58 HydrophobicContact CG2-CB 4.14Å; I35-L58 HydrophobicContact CG2-CD1 4.47Å
36	Y	96.1	Very high	93.2	Very high	39 Å²	39	65.3 Å²	65.3	15%	0.153	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-42.8	178.7	-173.5	-110.3	0	0	0	112.8	P32 E34 T38 A39 Q40 L55 L58 Y67 Q70 V71 D74	P32-Y36 VanDerWaalsContact O-CB 3.29Å; P32-Y36 WeakPolarHBondContact O-CB 3.47Å; P32-Y36 PolarHBondContact O-N 2.92Å; E34-Y36 VanDerWaalsContact C-N 3.32Å; Y36-T38 VanDerWaalsContact C-N 3.3Å; Y36-T38 PolarHBondContact O-N 3.02Å; Y36-A39 WeakPolarHBondContact O-CB 3.49Å; Y36-A39 PolarHBondContact O-N 3.5Å; Y36-Q40 HydrophobicContact CD1-CG 4.25Å; Y36-Q40 HydrophobicContact CE1-CG 3.81Å; Y36-Q40 HydrophobicContact CE2-CG 4.23Å; Y36-Q40 WeakPolarHBondContact O-CB 3.4Å; Y36-Q40 WeakPolarHBondContact O-CG 3.42Å; Y36-Q40 PolarHBondContact O-N 3.22Å; Y36-Q40 PolarHBondContact OH-NE2 3.12Å; Y36-L55 HydrophobicContact CD2-CD2 4.48Å; Y36-L58 HydrophobicContact CD2-CD2 3.8Å; Y36-L58 HydrophobicContact CG-CD2 4.19Å; Y36-Y67 HydrophobicContact CD1-CG 4.41Å; Y36-Y67 HydrophobicContact CE1-CD1 4.47Å; Y36-Y67 HydrophobicContact CG-CD2 4.47Å; Y36-Y67 HydrophobicContact CG-CG 4.46Å; Y36-Q70 HydrophobicContact CE2-CG 4.43Å; Y36-Q70 WeakPolarHBondContact OH-CG 3.48Å; Y36-V71 HydrophobicContact CD2-CG2 3.85Å; Y36-V71 HydrophobicContact CE2-CG2 3.97Å; Y36-D74 VanDerWaalsContact CE2-OD2 3.32Å; Y36-D74 WeakPolarHBondContact CE2-OD2 3.4Å; Y36-D74 PolarHBondContact OH-OD2 3.06Å
37	A	96.3	Very high	94.1	Very high	60 Å²	60	59.7 Å²	59.7	50%	0.496	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-40.7	175.7	0	0	0	0	0	111.7	N33 E34 Q40 Q41	N33-A37 VanDerWaalsContact O-CB 3.3Å; N33-A37 WeakPolarHBondContact O-CB 3.47Å; N33-A37 PolarHBondContact O-N 3.31Å; E34-A37 PolarHBondContact O-N 3.05Å; A37-Q40 PolarHBondContact O-N 3.41Å; A37-Q41 PolarHBondContact O-N 2.83Å
38	T	95.5	Very high	94.7	Very high	55 Å²	55	61.5 Å²	61.5	34%	0.337	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-46.7	174.7	-57.6	0	0	0	0	110.9	E34 I35 Y36 Q40 Q41 K42 Q54	E34-T38 WeakPolarHBondContact O-CB 3.36Å; E34-T38 PolarHBondContact O-N 2.88Å; E34-T38 PolarHBondContact O-OG1 3.21Å; I35-T38 WeakPolarHBondContact O-CB 3.42Å; I35-T38 PolarHBondContact O-N 3.17Å; Y36-T38 VanDerWaalsContact C-N 3.3Å; Y36-T38 PolarHBondContact O-N 3.02Å; T38-Q40 VanDerWaalsContact C-N 3.32Å; T38-Q40 PolarHBondContact O-N 3.05Å; T38-Q41 PolarHBondContact O-N 3.38Å; T38-K42 WeakPolarHBondContact O-CG 3.26Å; T38-K42 PolarHBondContact O-N 3.3Å; T38-Q54 HydrophobicContact CG2-CG 4.32Å
39	A	96.4	Very high	95.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-56.4	-46.2	175.6	0	0	0	0	0	111.9	I35 Y36 Q41 K42 L43 Q54 L55	I35-A39 WeakPolarHBondContact O-CB 3.23Å; I35-A39 PolarHBondContact O-N 3.25Å; Y36-A39 WeakPolarHBondContact O-CB 3.49Å; Y36-A39 PolarHBondContact O-N 3.5Å; A39-Q41 PolarHBondContact O-N 3.1Å; A39-K42 PolarHBondContact O-N 3.43Å; A39-K42 VanDerWaalsContact O-N 3.16Å; A39-L43 WeakPolarHBondContact O-CG 3.28Å; A39-L43 PolarHBondContact O-N 3.38Å; A39-Q54 HydrophobicContact CB-CB 3.72Å; A39-L55 HydrophobicContact CB-CD2 3.76Å; A39-L55 HydrophobicContact CB-CG 3.89Å
40	Q	97.6	Very high	95.6	Very high	46 Å²	46	62.9 Å²	62.9	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-41.7	178.1	-76.7	-66.7	-36.2	0	0	112.5	Y36 A37 T38 L43 Q44 D74	Y36-Q40 HydrophobicContact CD1-CG 4.25Å; Y36-Q40 HydrophobicContact CE1-CG 3.81Å; Y36-Q40 HydrophobicContact CE2-CG 4.23Å; Y36-Q40 WeakPolarHBondContact O-CB 3.4Å; Y36-Q40 WeakPolarHBondContact O-CG 3.42Å; Y36-Q40 PolarHBondContact O-N 3.22Å; Y36-Q40 PolarHBondContact OH-NE2 3.12Å; A37-Q40 PolarHBondContact O-N 3.41Å; T38-Q40 VanDerWaalsContact C-N 3.32Å; T38-Q40 PolarHBondContact O-N 3.05Å; Q40-L43 PolarHBondContact O-N 3.45Å; Q40-Q44 VanDerWaalsContact O-CG 3.32Å; Q40-Q44 WeakPolarHBondContact O-CG 3.43Å; Q40-Q44 PolarHBondContact O-N 3.13Å; Q40-D74 PolarHBondContact NE2-OD2 2.66Å
41	Q	97.7	Very high	96	Very high	97 Å²	97	59.9 Å²	59.9	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-46.4	173.2	-173.3	62.1	41.8	0	0	111.1	A37 T38 A39 L43 Q44 D45	A37-Q41 PolarHBondContact O-N 2.83Å; T38-Q41 PolarHBondContact O-N 3.38Å; A39-Q41 PolarHBondContact O-N 3.1Å; Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 3.41Å; Q41-Q44 PolarHBondContact O-N 2.98Å; Q41-Q44 VanDerWaalsContact O-N 3.13Å; Q41-D45 PolarHBondContact NE2-OD1 3.48Å; Q41-D45 WeakPolarHBondContact O-CB 3.36Å; Q41-D45 PolarHBondContact O-N 3.3Å
42	K	97.4	Very high	96.2	Very high	55 Å²	55	57.5 Å²	57.5	24%	0.239	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-35.2	178.4	-62	-58.7	178.3	173.2	0	112.8	T38 A39 G46 N47 Q50 A51	T38-K42 WeakPolarHBondContact O-CG 3.26Å; T38-K42 PolarHBondContact O-N 3.3Å; A39-K42 PolarHBondContact O-N 3.43Å; A39-K42 VanDerWaalsContact O-N 3.16Å; K42-G46 PolarHBondContact O-N 2.92Å; K42-N47 CarbonylContact O-C 3.56Å; K42-N47 WeakPolarHBondContact O-CA 3.45Å; K42-N47 PolarHBondContact O-N 2.96Å; K42-Q50 HydrophobicContact CB-CB 4.39Å; K42-Q50 HydrophobicContact CD-CB 4.03Å; K42-Q50 HydrophobicContact CG-CB 4.05Å; K42-A51 HydrophobicContact CB-CB 3.81Å
43	L	97.4	Very high	96.5	Very high	12 Å²	12	58 Å²	58	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-45.9	172.4	-70.2	172.1	0	0	0	111.3	A39 Q40 Q41 D45 G46 W48 A51 L55 D74 Y77 A78	A39-L43 WeakPolarHBondContact O-CG 3.28Å; A39-L43 PolarHBondContact O-N 3.38Å; Q40-L43 PolarHBondContact O-N 3.45Å; Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 3.41Å; L43-D45 VanDerWaalsContact C-N 3.31Å; L43-D45 PolarHBondContact O-N 2.73Å; L43-G46 PolarHBondContact O-N 2.94Å; L43-G46 VanDerWaalsContact O-N 3.12Å; L43-W48 HydrophobicContact CB-CZ3 4.31Å; L43-W48 HydrophobicContact CD2-CE3 3.95Å; L43-W48 HydrophobicContact CD2-CZ3 4.06Å; L43-W48 WeakPolarHBondContact O-CH2 3.46Å; L43-W48 WeakPolarHBondContact O-CZ3 3.44Å; L43-A51 HydrophobicContact CD2-CB 3.49Å; L43-A51 VanDerWaalsContact CD2-CB 3.49Å; L43-A51 HydrophobicContact CG-CB 3.7Å; L43-L55 HydrophobicContact CD1-CD1 4.39Å; L43-L55 HydrophobicContact CD2-CD1 4.48Å; L43-D74 HydrophobicContact CD1-CB 3.92Å; L43-Y77 HydrophobicContact CD2-CD1 4.18Å; L43-A78 HydrophobicContact CD2-CB 3.79Å
44	Q	97.3	Very high	96.5	Very high	141 Å²	141	54.7 Å²	54.7	66%	0.659	28%	0.275	S	S	*	.	H	α-helix	trans	-66.3	-35.6	-179.8	-68.7	171	35	0	0	112.1	Q40 Q41 G46	Q40-Q44 VanDerWaalsContact O-CG 3.32Å; Q40-Q44 WeakPolarHBondContact O-CG 3.43Å; Q40-Q44 PolarHBondContact O-N 3.13Å; Q41-Q44 PolarHBondContact O-N 2.98Å; Q41-Q44 VanDerWaalsContact O-N 3.13Å; Q44-G46 PolarHBondContact O-N 3.18Å
45	D	97	Very high	96.7	Very high	98 Å²	98	50.3 Å²	50.3	52%	0.524	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.3	175.4	-63.6	-18.3	0	0	0	113.1	Q41 L43 N47	Q41-D45 PolarHBondContact NE2-OD1 3.48Å; Q41-D45 WeakPolarHBondContact O-CB 3.36Å; Q41-D45 PolarHBondContact O-N 3.3Å; L43-D45 VanDerWaalsContact C-N 3.31Å; L43-D45 PolarHBondContact O-N 2.73Å; D45-N47 PolarHBondContact O-N 3.09Å
46	G	96.7	Very high	96.8	Very high	31 Å²	31	53.5 Å²	53.5	32%	0.32	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	12.3	-173.5	0	0	0	0	0	114.2	K42 L43 Q44 W48	K42-G46 PolarHBondContact O-N 2.92Å; L43-G46 PolarHBondContact O-N 2.94Å; L43-G46 VanDerWaalsContact O-N 3.12Å; Q44-G46 PolarHBondContact O-N 3.18Å; G46-W48 VanDerWaalsContact C-N 3.27Å; G46-W48 PolarHBondContact O-N 3.24Å; G46-W48 VanDerWaalsContact O-N 3.07Å; G46-W48 PolarHBondContact O-NE1 3.4Å
47	N	96.8	Very high	96.7	Very high	58 Å²	58	52.3 Å²	52.3	31%	0.31	27%	0.267	S	S	.	.			trans	-86.3	69.3	176.9	-166.3	-20.1	0	0	0	110.5	K42 D45 R49 Q50 A51	K42-N47 CarbonylContact O-C 3.56Å; K42-N47 WeakPolarHBondContact O-CA 3.45Å; K42-N47 PolarHBondContact O-N 2.96Å; D45-N47 PolarHBondContact O-N 3.09Å; N47-R49 VanDerWaalsContact C-N 3.3Å; N47-R49 PolarHBondContact O-N 3.44Å; N47-Q50 PolarHBondContact ND2-OE1 2.92Å; N47-Q50 VanDerWaalsContact ND2-OE1 3.07Å; N47-Q50 PolarHBondContact O-N 2.97Å; N47-Q50 WeakPolarHBondContact OD1-CB 3.39Å; N47-Q50 WeakPolarHBondContact OD1-CG 3.46Å; N47-Q50 PolarHBondContact OD1-N 2.75Å; N47-A51 PolarHBondContact O-N 2.92Å
48	W	97.4	Very high	96.6	Very high	53 Å²	53	49.8 Å²	49.8	20%	0.201	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-42.2	-173.6	-45.5	124.5	0	0	0	112.7	L43 G46 Q50 A51 I52 Y77 K81 N82	L43-W48 HydrophobicContact CB-CZ3 4.31Å; L43-W48 HydrophobicContact CD2-CE3 3.95Å; L43-W48 HydrophobicContact CD2-CZ3 4.06Å; L43-W48 WeakPolarHBondContact O-CH2 3.46Å; L43-W48 WeakPolarHBondContact O-CZ3 3.44Å; G46-W48 VanDerWaalsContact C-N 3.27Å; G46-W48 PolarHBondContact O-N 3.24Å; G46-W48 VanDerWaalsContact O-N 3.07Å; G46-W48 PolarHBondContact O-NE1 3.4Å; W48-Q50 PolarHBondContact O-N 2.97Å; W48-A51 WeakPolarHBondContact O-CB 3.45Å; W48-A51 PolarHBondContact O-N 3.21Å; W48-I52 WeakPolarHBondContact O-CB 3.36Å; W48-I52 WeakPolarHBondContact O-CD1 3.43Å; W48-I52 VanDerWaalsContact O-CG1 3.22Å; W48-I52 WeakPolarHBondContact O-CG1 3.41Å; W48-I52 PolarHBondContact O-N 3.39Å; W48-Y77 HydrophobicContact CE3-CE1 4.22Å; W48-Y77 AromaticContact CH2-CE1 3.79Å; W48-Y77 HydrophobicContact CH2-CE1 3.79Å; W48-Y77 WeakPolarHBondContact CH2-OH 3.42Å; W48-Y77 HydrophobicContact CZ3-CD1 4.28Å; W48-Y77 AromaticContact CZ3-CE1 3.44Å; W48-Y77 HydrophobicContact CZ3-CE1 3.44Å; W48-Y77 VanDerWaalsContact CZ3-CE1 3.44Å; W48-K81 HydrophobicContact CD2-CB 3.64Å; W48-K81 HydrophobicContact CD2-CG 4.42Å; W48-K81 HydrophobicContact CE3-CB 4.23Å; W48-K81 HydrophobicContact CG-CB 3.83Å; W48-K81 HydrophobicContact CZ2-CB 4.13Å; W48-K81 HydrophobicContact CZ2-CG 4.22Å; W48-N82 HydrophobicContact CB-CB 3.76Å; W48-N82 HydrophobicContact CG-CB 4.49Å
49	R	96.5	Very high	96.6	Very high	181 Å²	181	48 Å²	48	68%	0.683	23%	0.234	S	C	*	.	H	α-helix	trans	-61.7	-44.9	-179.7	-174.2	175.3	178.3	170.7	-0.5	112.4	N47 I52 T53	N47-R49 VanDerWaalsContact C-N 3.3Å; N47-R49 PolarHBondContact O-N 3.44Å; R49-I52 PolarHBondContact O-N 2.91Å; R49-T53 PolarHBondContact O-N 3.22Å; R49-T53 PolarHBondContact O-OG1 3.29Å; R49-T53 VanDerWaalsContact O-OG1 3.14Å
50	Q	95.5	Very high	96.5	Very high	53 Å²	53	54 Å²	54	25%	0.248	27%	0.266	C	S	.	.	H	α-helix	trans	-70.3	-36	176.6	-72.7	-174.1	-1.5	0	0	111.8	K42 N47 W48 T53 Q54	K42-Q50 HydrophobicContact CB-CB 4.39Å; K42-Q50 HydrophobicContact CD-CB 4.03Å; K42-Q50 HydrophobicContact CG-CB 4.05Å; N47-Q50 PolarHBondContact ND2-OE1 2.92Å; N47-Q50 VanDerWaalsContact ND2-OE1 3.07Å; N47-Q50 PolarHBondContact O-N 2.97Å; N47-Q50 WeakPolarHBondContact OD1-CB 3.39Å; N47-Q50 WeakPolarHBondContact OD1-CG 3.46Å; N47-Q50 PolarHBondContact OD1-N 2.75Å; W48-Q50 PolarHBondContact O-N 2.97Å; Q50-T53 PolarHBondContact O-N 3.49Å; Q50-Q54 WeakPolarHBondContact O-CG 3.45Å; Q50-Q54 PolarHBondContact O-N 3.35Å
51	A	97.4	Very high	96.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-46.8	173.7	0	0	0	0	0	111.8	K42 L43 N47 W48 T53 Q54 L55	K42-A51 HydrophobicContact CB-CB 3.81Å; L43-A51 HydrophobicContact CD2-CB 3.49Å; L43-A51 VanDerWaalsContact CD2-CB 3.49Å; L43-A51 HydrophobicContact CG-CB 3.7Å; N47-A51 PolarHBondContact O-N 2.92Å; W48-A51 WeakPolarHBondContact O-CB 3.45Å; W48-A51 PolarHBondContact O-N 3.21Å; A51-T53 VanDerWaalsContact C-N 3.33Å; A51-T53 PolarHBondContact O-N 3.26Å; A51-Q54 PolarHBondContact O-N 3.01Å; A51-Q54 VanDerWaalsContact O-N 3.17Å; A51-L55 WeakPolarHBondContact O-CB 3.38Å; A51-L55 VanDerWaalsContact O-CG 3.22Å; A51-L55 WeakPolarHBondContact O-CG 3.43Å; A51-L55 PolarHBondContact O-N 3.03Å
52	I	97.8	Very high	96.1	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-54.7	-49.1	176.3	-71.6	160.7	0	0	0	110.4	W48 R49 Q54 L55 E56 L75 A78 Y79 N82	W48-I52 WeakPolarHBondContact O-CB 3.36Å; W48-I52 WeakPolarHBondContact O-CD1 3.43Å; W48-I52 VanDerWaalsContact O-CG1 3.22Å; W48-I52 WeakPolarHBondContact O-CG1 3.41Å; W48-I52 PolarHBondContact O-N 3.39Å; R49-I52 PolarHBondContact O-N 2.91Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.36Å; I52-L55 PolarHBondContact O-N 2.96Å; I52-E56 HydrophobicContact CG2-CG 4.02Å; I52-E56 WeakPolarHBondContact CG2-OE1 3.38Å; I52-E56 WeakPolarHBondContact O-CB 3.24Å; I52-E56 WeakPolarHBondContact O-CG 3.46Å; I52-E56 PolarHBondContact O-N 2.96Å; I52-L75 HydrophobicContact CG2-CD2 4.47Å; I52-A78 HydrophobicContact CD1-CB 4.18Å; I52-A78 HydrophobicContact CG1-CB 3.6Å; I52-Y79 HydrophobicContact CB-CE1 4.48Å; I52-Y79 HydrophobicContact CD1-CD1 3.69Å; I52-Y79 HydrophobicContact CD1-CE1 4.12Å; I52-Y79 HydrophobicContact CG1-CD1 4.01Å; I52-Y79 HydrophobicContact CG1-CE1 4.1Å; I52-Y79 HydrophobicContact CG2-CD1 4.24Å; I52-Y79 HydrophobicContact CG2-CE1 3.52Å; I52-N82 HydrophobicContact CD1-CB 3.87Å
53	T	96.4	Very high	95.8	Very high	48 Å²	48	55.9 Å²	55.9	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-55.5	-44.7	178.5	-56.9	0	0	0	0	112.4	V27 R49 Q50 A51 A57	V27-T53 HydrophobicContact CG2-CG2 3.71Å; R49-T53 PolarHBondContact O-N 3.22Å; R49-T53 PolarHBondContact O-OG1 3.29Å; R49-T53 VanDerWaalsContact O-OG1 3.14Å; Q50-T53 PolarHBondContact O-N 3.49Å; A51-T53 VanDerWaalsContact C-N 3.33Å; A51-T53 PolarHBondContact O-N 3.26Å; T53-A57 WeakPolarHBondContact O-CB 3.31Å; T53-A57 PolarHBondContact O-N 2.91Å; T53-A57 VanDerWaalsContact O-N 3.17Å
54	Q	95.9	Very high	95.5	Very high	17 Å²	17	64.7 Å²	64.7	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-43.1	179.1	-62.6	-68	-22.5	0	0	111.9	I35 T38 A39 Q50 A51 I52 A57 L58	I35-Q54 HydrophobicContact CG2-CB 4.4Å; I35-Q54 WeakPolarHBondContact CG2-O 3.38Å; T38-Q54 HydrophobicContact CG2-CG 4.32Å; A39-Q54 HydrophobicContact CB-CB 3.72Å; Q50-Q54 WeakPolarHBondContact O-CG 3.45Å; Q50-Q54 PolarHBondContact O-N 3.35Å; A51-Q54 PolarHBondContact O-N 3.01Å; A51-Q54 VanDerWaalsContact O-N 3.17Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.36Å; Q54-A57 PolarHBondContact O-N 3.48Å; Q54-L58 PolarHBondContact O-N 3.1Å
55	L	97	Very high	95.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.8	-41.3	-179.4	-68	167.1	0	0	0	112.4	Y36 A39 L43 A51 I52 A57 L58 D59 V71 D74 L75	Y36-L55 HydrophobicContact CD2-CD2 4.48Å; A39-L55 HydrophobicContact CB-CD2 3.76Å; A39-L55 HydrophobicContact CB-CG 3.89Å; L43-L55 HydrophobicContact CD1-CD1 4.39Å; L43-L55 HydrophobicContact CD2-CD1 4.48Å; A51-L55 WeakPolarHBondContact O-CB 3.38Å; A51-L55 VanDerWaalsContact O-CG 3.22Å; A51-L55 WeakPolarHBondContact O-CG 3.43Å; A51-L55 PolarHBondContact O-N 3.03Å; I52-L55 PolarHBondContact O-N 2.96Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-L58 PolarHBondContact O-N 3.47Å; L55-D59 PolarHBondContact O-N 2.86Å; L55-V71 HydrophobicContact CB-CG1 4.21Å; L55-V71 HydrophobicContact CD2-CB 4.45Å; L55-V71 HydrophobicContact CD2-CG1 4.06Å; L55-V71 HydrophobicContact CD2-CG2 4.34Å; L55-V71 WeakPolarHBondContact O-CG1 3.48Å; L55-D74 HydrophobicContact CD1-CB 3.71Å; L55-D74 HydrophobicContact CD2-CB 3.9Å; L55-D74 HydrophobicContact CG-CB 4.47Å; L55-L75 HydrophobicContact CB-CD1 4.39Å; L55-L75 HydrophobicContact CB-CD2 3.49Å; L55-L75 VanDerWaalsContact CB-CD2 3.49Å; L55-L75 HydrophobicContact CB-CG 3.69Å; L55-L75 HydrophobicContact CD1-CD2 4.15Å; L55-L75 HydrophobicContact CD1-CG 4.24Å; L55-L75 HydrophobicContact CG-CD2 4.48Å
56	E	96.4	Very high	94.7	Very high	70 Å²	70	59.5 Å²	59.5	33%	0.327	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-41.4	174.4	-74.4	-179.6	171.1	0	0	111	I52 L58 D59 N60 L75 Y79	I52-E56 HydrophobicContact CG2-CG 4.02Å; I52-E56 WeakPolarHBondContact CG2-OE1 3.38Å; I52-E56 WeakPolarHBondContact O-CB 3.24Å; I52-E56 WeakPolarHBondContact O-CG 3.46Å; I52-E56 PolarHBondContact O-N 2.96Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.19Å; E56-D59 PolarHBondContact O-N 2.94Å; E56-N60 VanDerWaalsContact O-CB 3.27Å; E56-N60 WeakPolarHBondContact O-CB 3.35Å; E56-N60 PolarHBondContact O-N 3.46Å; E56-N60 PolarHBondContact O-ND2 3.3Å; E56-L75 HydrophobicContact CG-CD2 3.91Å; E56-Y79 WeakPolarHBondContact CG-OH 3.38Å; E56-Y79 PolarHBondContact OE1-OH 2.96Å
57	A	94.2	Very high	94.4	Very high	14 Å²	14	62.7 Å²	62.7	12%	0.116	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-40.1	174.5	0	0	0	0	0	111.4	V27 T53 Q54 L55 R61	V27-A57 HydrophobicContact CB-CB 3.81Å; V27-A57 HydrophobicContact CG1-CB 3.89Å; V27-A57 HydrophobicContact CG2-CB 3.7Å; T53-A57 WeakPolarHBondContact O-CB 3.31Å; T53-A57 PolarHBondContact O-N 2.91Å; T53-A57 VanDerWaalsContact O-N 3.17Å; Q54-A57 PolarHBondContact O-N 3.48Å; L55-A57 VanDerWaalsContact C-N 3.35Å; A57-R61 WeakPolarHBondContact O-CB 3.36Å; A57-R61 VanDerWaalsContact O-CG 3.23Å; A57-R61 WeakPolarHBondContact O-CG 3.38Å; A57-R61 PolarHBondContact O-N 3.14Å
58	L	94.4	Very high	94.2	Very high	7 Å²	7	61.3 Å²	61.3	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-44.6	177.7	-168.6	59.4	0	0	0	112.6	P32 I35 Y36 Q54 L55 E56 N60 Y62 V71	P32-L58 HydrophobicContact CB-CD1 3.8Å; I35-L58 HydrophobicContact CB-CD1 4.49Å; I35-L58 HydrophobicContact CG2-CB 4.14Å; I35-L58 HydrophobicContact CG2-CD1 4.47Å; Y36-L58 HydrophobicContact CD2-CD2 3.8Å; Y36-L58 HydrophobicContact CG-CD2 4.19Å; Q54-L58 PolarHBondContact O-N 3.1Å; L55-L58 PolarHBondContact O-N 3.47Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.19Å; L58-N60 VanDerWaalsContact C-N 3.32Å; L58-N60 PolarHBondContact O-N 3.19Å; L58-Y62 HydrophobicContact CD1-CD2 3.6Å; L58-Y62 HydrophobicContact CD1-CE2 4.26Å; L58-Y62 HydrophobicContact CD1-CG 4.43Å; L58-Y62 WeakPolarHBondContact O-CA 3.44Å; L58-Y62 PolarHBondContact O-N 3.03Å; L58-V71 HydrophobicContact CD2-CG2 3.4Å; L58-V71 VanDerWaalsContact CD2-CG2 3.4Å; L58-V71 HydrophobicContact CG-CG2 4.03Å
59	D	94.9	Very high	94.1	Very high	16 Å²	16	62.6 Å²	62.6	9%	0.086	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-38.6	176.3	-167.4	52.9	0	0	0	111.3	L55 E56 P63 V71 Q72 L75 R94	L55-D59 PolarHBondContact O-N 2.86Å; E56-D59 PolarHBondContact O-N 2.94Å; D59-P63 WeakPolarHBondContact O-CA 3.42Å; D59-V71 HydrophobicContact CB-CG1 4.11Å; D59-Q72 PolarHBondContact OD1-NE2 3.07Å; D59-L75 HydrophobicContact CB-CD1 4.3Å; D59-R94 IonicContact OD1-NH2 2.66Å; D59-R94 IonicContact OD2-CZ 3.87Å; D59-R94 VanDerWaalsContact OD2-CZ 3.27Å; D59-R94 IonicContact OD2-NH1 3.31Å; D59-R94 PolarHBondContact OD2-NH1 3.47Å; D59-R94 IonicContact OD2-NH2 2.89Å; D59-R94 PolarHBondContact OD2-NH2 3.46Å
60	N	93.9	Very high	94.1	Very high	127 Å²	127	57.6 Å²	57.6	68%	0.679	29%	0.29	S	S	*	.	H	α-helix	trans	-73.4	-43.8	179.1	-73.1	-37.9	0	0	0	113.2	E56 L58	E56-N60 VanDerWaalsContact O-CB 3.27Å; E56-N60 WeakPolarHBondContact O-CB 3.35Å; E56-N60 PolarHBondContact O-N 3.46Å; E56-N60 PolarHBondContact O-ND2 3.3Å; L58-N60 VanDerWaalsContact C-N 3.32Å; L58-N60 PolarHBondContact O-N 3.19Å
61	R	93.7	Very high	94.2	Very high	95 Å²	95	55.1 Å²	55.1	36%	0.358	28%	0.278	S	S	.	.	H	α-helix	trans	-77.9	-33.7	-177.7	-68.2	177.2	-168.3	173.7	8.8	112.5	V27 P28 D29 A57	V27-R61 PolarHBondContact O-NH2 3.4Å; P28-R61 PolarHBondContact O-NH1 2.87Å; D29-R61 IonicContact OD1-NH1 2.76Å; D29-R61 PolarHBondContact OD1-NH1 2.92Å; A57-R61 WeakPolarHBondContact O-CB 3.36Å; A57-R61 VanDerWaalsContact O-CG 3.23Å; A57-R61 WeakPolarHBondContact O-CG 3.38Å; A57-R61 PolarHBondContact O-N 3.14Å
62	Y	93.4	Very high	94.2	Very high	78 Å²	78	55.9 Å²	55.9	31%	0.306	28%	0.282	S	S	.	.			trans	-132.8	61.3	-171.9	-52.6	-79	0	0	0	112.2	P32 L58 F64 G65	P32-Y62 HydrophobicContact CB-CD2 4.19Å; P32-Y62 HydrophobicContact CB-CE2 4.2Å; P32-Y62 HydrophobicContact CB-CG 4.48Å; P32-Y62 HydrophobicContact CG-CD1 3.97Å; P32-Y62 HydrophobicContact CG-CD2 3.96Å; P32-Y62 HydrophobicContact CG-CE1 3.71Å; P32-Y62 HydrophobicContact CG-CE2 3.7Å; P32-Y62 HydrophobicContact CG-CG 4.08Å; L58-Y62 HydrophobicContact CD1-CD2 3.6Å; L58-Y62 HydrophobicContact CD1-CE2 4.26Å; L58-Y62 HydrophobicContact CD1-CG 4.43Å; L58-Y62 WeakPolarHBondContact O-CA 3.44Å; L58-Y62 PolarHBondContact O-N 3.03Å; Y62-F64 PolarHBondContact O-N 3.01Å; Y62-F64 VanDerWaalsContact O-N 3.09Å; Y62-G65 PolarHBondContact O-N 3.29Å
63	P	91.6	Very high	94.2	Very high	64 Å²	64	55.8 Å²	55.8	42%	0.416	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.6	-174.2	24.6	-35.2	0	0	0	114.2	D59 S68	D59-P63 WeakPolarHBondContact O-CA 3.42Å; P63-S68 WeakPolarHBondContact O-CB 3.11Å
64	F	92	Very high	94.3	Very high	197 Å²	197	54.1 Å²	54.1	86%	0.864	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	17.5	175	-51.9	-71.8	0	0	0	112.3	Y62	Y62-F64 PolarHBondContact O-N 3.01Å; Y62-F64 VanDerWaalsContact O-N 3.09Å
65	G	88.6	Confident	94.4	Very high	15 Å²	15	53.5 Å²	53.5	16%	0.155	27%	0.268	C	S	.	.	S	Bend	trans	-63.2	161.8	179.3	0	0	0	0	0	112.3	Y62 Y67 S68	Y62-G65 PolarHBondContact O-N 3.29Å; G65-Y67 PolarHBondContact O-N 3.03Å; G65-Y67 VanDerWaalsContact O-N 3.08Å; G65-S68 VanDerWaalsContact O-CB 3.29Å; G65-S68 WeakPolarHBondContact O-CB 3.19Å; G65-S68 PolarHBondContact O-N 3.49Å; G65-S68 PolarHBondContact O-OG 2.83Å
66	P	87.7	Confident	94.5	Very high	116 Å²	116	53.5 Å²	53.5	75%	0.753	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23	-177	25.5	-34.9	0	0	0	113.2
67	Y	90	Very high	94.6	Very high	98 Å²	98	53.8 Å²	53.8	38%	0.384	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	3.9	179	-50.1	-64.1	0	0	0	113.5	Y36 G65 Q69 Q70 V71	Y36-Y67 HydrophobicContact CD1-CG 4.41Å; Y36-Y67 HydrophobicContact CE1-CD1 4.47Å; Y36-Y67 HydrophobicContact CG-CD2 4.47Å; Y36-Y67 HydrophobicContact CG-CG 4.46Å; G65-Y67 PolarHBondContact O-N 3.03Å; G65-Y67 VanDerWaalsContact O-N 3.08Å; Y67-Q69 VanDerWaalsContact C-N 3.34Å; Y67-Q69 PolarHBondContact O-N 3.4Å; Y67-Q70 PolarHBondContact O-N 2.79Å; Y67-V71 VanDerWaalsContact O-CG2 3.29Å; Y67-V71 WeakPolarHBondContact O-CG2 3.38Å; Y67-V71 PolarHBondContact O-N 2.87Å
68	S	93.2	Very high	94.8	Very high	29 Å²	29	53.1 Å²	53.1	20%	0.203	26%	0.261	C	S	.	.	H	α-helix	trans	-50.2	-48.1	-171.2	51	0	0	0	0	113.6	P63 G65 V71 Q72	P63-S68 WeakPolarHBondContact O-CB 3.11Å; G65-S68 VanDerWaalsContact O-CB 3.29Å; G65-S68 WeakPolarHBondContact O-CB 3.19Å; G65-S68 PolarHBondContact O-N 3.49Å; G65-S68 PolarHBondContact O-OG 2.83Å; S68-V71 PolarHBondContact O-N 3.46Å; S68-Q72 WeakPolarHBondContact O-CG 3.28Å; S68-Q72 PolarHBondContact O-N 3.34Å; S68-Q72 VanDerWaalsContact O-N 3.12Å
69	Q	95.5	Very high	95	Very high	80 Å²	80	53.7 Å²	53.7	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-45	177.3	-69.9	173.8	-16.8	0	0	112	Y67 Q72 L73 F95 N99 H102	Y67-Q69 VanDerWaalsContact C-N 3.34Å; Y67-Q69 PolarHBondContact O-N 3.4Å; Q69-Q72 PolarHBondContact O-N 3.39Å; Q69-L73 WeakPolarHBondContact O-CG 3.34Å; Q69-L73 PolarHBondContact O-N 3.26Å; Q69-F95 HydrophobicContact CB-CE2 4.27Å; Q69-N99 PolarHBondContact NE2-OD1 2.8Å; Q69-H102 PolarHBondContact OE1-CD2 2.87Å
70	Q	96.8	Very high	95.1	Very high	75 Å²	75	55.7 Å²	55.7	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-40.3	179.5	-174.6	59.4	46.5	0	0	111.9	Y36 Y67 Q72 L73 D74	Y36-Q70 HydrophobicContact CE2-CG 4.43Å; Y36-Q70 WeakPolarHBondContact OH-CG 3.48Å; Y67-Q70 PolarHBondContact O-N 2.79Å; Q70-Q72 VanDerWaalsContact C-N 3.27Å; Q70-Q72 PolarHBondContact O-N 3.02Å; Q70-L73 WeakPolarHBondContact O-CB 3.25Å; Q70-L73 PolarHBondContact O-N 2.77Å; Q70-L73 VanDerWaalsContact O-N 3.1Å; Q70-D74 PolarHBondContact NE2-OD1 2.82Å; Q70-D74 VanDerWaalsContact O-CG 3.22Å; Q70-D74 PolarHBondContact O-N 3.23Å
71	V	97.2	Very high	95.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-40.9	174	169.8	0	0	0	0	111	Y36 L55 L58 D59 Y67 S68 D74 L75	Y36-V71 HydrophobicContact CD2-CG2 3.85Å; Y36-V71 HydrophobicContact CE2-CG2 3.97Å; L55-V71 HydrophobicContact CB-CG1 4.21Å; L55-V71 HydrophobicContact CD2-CB 4.45Å; L55-V71 HydrophobicContact CD2-CG1 4.06Å; L55-V71 HydrophobicContact CD2-CG2 4.34Å; L55-V71 WeakPolarHBondContact O-CG1 3.48Å; L58-V71 HydrophobicContact CD2-CG2 3.4Å; L58-V71 VanDerWaalsContact CD2-CG2 3.4Å; L58-V71 HydrophobicContact CG-CG2 4.03Å; D59-V71 HydrophobicContact CB-CG1 4.11Å; Y67-V71 VanDerWaalsContact O-CG2 3.29Å; Y67-V71 WeakPolarHBondContact O-CG2 3.38Å; Y67-V71 PolarHBondContact O-N 2.87Å; S68-V71 PolarHBondContact O-N 3.46Å; V71-D74 PolarHBondContact O-N 3.23Å; V71-L75 HydrophobicContact CG1-CD1 4.28Å; V71-L75 WeakPolarHBondContact O-CB 3.35Å; V71-L75 WeakPolarHBondContact O-CG 3.48Å; V71-L75 PolarHBondContact O-N 3.44Å
72	Q	97.4	Very high	95.4	Very high	17 Å²	17	52.5 Å²	52.5	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-67.2	-38.9	176	-69.1	177.2	-4.9	0	0	112.4	D59 S68 Q69 Q70 L75 I76 F95	D59-Q72 PolarHBondContact OD1-NE2 3.07Å; S68-Q72 WeakPolarHBondContact O-CG 3.28Å; S68-Q72 PolarHBondContact O-N 3.34Å; S68-Q72 VanDerWaalsContact O-N 3.12Å; Q69-Q72 PolarHBondContact O-N 3.39Å; Q70-Q72 VanDerWaalsContact C-N 3.27Å; Q70-Q72 PolarHBondContact O-N 3.02Å; Q72-L75 PolarHBondContact O-N 2.96Å; Q72-I76 VanDerWaalsContact O-CG1 3.26Å; Q72-I76 WeakPolarHBondContact O-CG1 3.39Å; Q72-I76 PolarHBondContact O-N 3.29Å; Q72-F95 HydrophobicContact CB-CD2 3.71Å; Q72-F95 HydrophobicContact CB-CE2 4.21Å
73	L	98.3	Very high	95.5	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-42.4	173.7	-63.3	-178.1	0	0	0	111.5	Q69 Q70 I76 Y77 F95 N104 Y107 V108	Q69-L73 WeakPolarHBondContact O-CG 3.34Å; Q69-L73 PolarHBondContact O-N 3.26Å; Q70-L73 WeakPolarHBondContact O-CB 3.25Å; Q70-L73 PolarHBondContact O-N 2.77Å; Q70-L73 VanDerWaalsContact O-N 3.1Å; L73-I76 WeakPolarHBondContact O-CB 3.17Å; L73-I76 PolarHBondContact O-N 3.22Å; L73-Y77 PolarHBondContact O-N 2.88Å; L73-F95 HydrophobicContact CD2-CD1 4.45Å; L73-F95 HydrophobicContact CD2-CD2 4.13Å; L73-F95 HydrophobicContact CD2-CE1 4.01Å; L73-F95 HydrophobicContact CD2-CE2 3.65Å; L73-F95 HydrophobicContact CD2-CG 4.49Å; L73-F95 HydrophobicContact CD2-CZ 3.59Å; L73-F95 HydrophobicContact CG-CE2 3.94Å; L73-F95 HydrophobicContact CG-CZ 4.1Å; L73-N104 HydrophobicContact CD1-CB 4.34Å; L73-Y107 HydrophobicContact CB-CE1 4.43Å; L73-Y107 HydrophobicContact CD2-CD1 4.07Å; L73-Y107 HydrophobicContact CD2-CE1 4.25Å; L73-V108 HydrophobicContact CD2-CG2 3.38Å
74	D	98.3	Very high	95.7	Very high	14 Å²	14	51.6 Å²	51.6	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-38	177.6	-66.2	-20.4	0	0	0	111.9	Y36 Q40 L43 L55 Q70 V71 Y77 A78	Y36-D74 VanDerWaalsContact CE2-OD2 3.32Å; Y36-D74 WeakPolarHBondContact CE2-OD2 3.4Å; Y36-D74 PolarHBondContact OH-OD2 3.06Å; Q40-D74 PolarHBondContact NE2-OD2 2.66Å; L43-D74 HydrophobicContact CD1-CB 3.92Å; L55-D74 HydrophobicContact CD1-CB 3.71Å; L55-D74 HydrophobicContact CD2-CB 3.9Å; L55-D74 HydrophobicContact CG-CB 4.47Å; Q70-D74 PolarHBondContact NE2-OD1 2.82Å; Q70-D74 VanDerWaalsContact O-CG 3.22Å; Q70-D74 PolarHBondContact O-N 3.23Å; V71-D74 PolarHBondContact O-N 3.23Å; D74-Y77 PolarHBondContact O-N 3.32Å; D74-A78 VanDerWaalsContact O-CB 3.26Å; D74-A78 WeakPolarHBondContact O-CB 3.49Å; D74-A78 PolarHBondContact O-N 2.93Å
75	L	98.4	Very high	96	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-46.1	172.8	-81.4	170.5	0	0	0	111.3	I52 L55 E56 D59 V71 Q72 Y77 A78 Y79	I52-L75 HydrophobicContact CG2-CD2 4.47Å; L55-L75 HydrophobicContact CB-CD1 4.39Å; L55-L75 HydrophobicContact CB-CD2 3.49Å; L55-L75 VanDerWaalsContact CB-CD2 3.49Å; L55-L75 HydrophobicContact CB-CG 3.69Å; L55-L75 HydrophobicContact CD1-CD2 4.15Å; L55-L75 HydrophobicContact CD1-CG 4.24Å; L55-L75 HydrophobicContact CG-CD2 4.48Å; E56-L75 HydrophobicContact CG-CD2 3.91Å; D59-L75 HydrophobicContact CB-CD1 4.3Å; V71-L75 HydrophobicContact CG1-CD1 4.28Å; V71-L75 WeakPolarHBondContact O-CB 3.35Å; V71-L75 WeakPolarHBondContact O-CG 3.48Å; V71-L75 PolarHBondContact O-N 3.44Å; Q72-L75 PolarHBondContact O-N 2.96Å; L75-Y77 VanDerWaalsContact C-N 3.29Å; L75-Y77 PolarHBondContact O-N 3.35Å; L75-A78 PolarHBondContact O-N 3.38Å; L75-Y79 HydrophobicContact CB-CD2 4.19Å; L75-Y79 HydrophobicContact CB-CE2 3.88Å; L75-Y79 HydrophobicContact CD2-CE2 3.97Å; L75-Y79 HydrophobicContact CG-CE2 4.4Å; L75-Y79 WeakPolarHBondContact O-CB 3.47Å; L75-Y79 WeakPolarHBondContact O-CD2 3.43Å; L75-Y79 VanDerWaalsContact O-CG 3.28Å; L75-Y79 PolarHBondContact O-N 3.32Å
76	I	98.6	Very high	96.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-46.7	176.4	-69.2	166.5	0	0	0	110.4	Q72 L73 Y80 A91 I92 F95 V108 M111	Q72-I76 VanDerWaalsContact O-CG1 3.26Å; Q72-I76 WeakPolarHBondContact O-CG1 3.39Å; Q72-I76 PolarHBondContact O-N 3.29Å; L73-I76 WeakPolarHBondContact O-CB 3.17Å; L73-I76 PolarHBondContact O-N 3.22Å; I76-Y80 WeakPolarHBondContact O-CB 3.34Å; I76-Y80 PolarHBondContact O-N 3.4Å; I76-Y80 VanDerWaalsContact O-N 3.12Å; I76-A91 HydrophobicContact CG1-CB 3.72Å; I76-I92 HydrophobicContact CB-CG1 4.33Å; I76-I92 HydrophobicContact CD1-CB 4.45Å; I76-I92 HydrophobicContact CD1-CG1 3.78Å; I76-I92 HydrophobicContact CG1-CG1 3.83Å; I76-I92 HydrophobicContact CG2-CD1 3.86Å; I76-I92 HydrophobicContact CG2-CG1 3.56Å; I76-F95 HydrophobicContact CD1-CB 4.17Å; I76-V108 HydrophobicContact CD1-CG1 4.2Å; I76-V108 HydrophobicContact CD1-CG2 4.36Å; I76-M111 HydrophobicContact CG2-CB 3.81Å; I76-M111 HydrophobicContact CG2-CE 4.23Å; I76-M111 HydrophobicContact CG2-CG 4.05Å
77	Y	98.5	Very high	96.8	Very high	77 Å²	77	45.2 Å²	45.2	30%	0.302	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-50.3	176.7	177	-109	0	0	0	112	L43 W48 L73 D74 L75 Y80 K81 Y107	L43-Y77 HydrophobicContact CD2-CD1 4.18Å; W48-Y77 HydrophobicContact CE3-CE1 4.22Å; W48-Y77 AromaticContact CH2-CE1 3.79Å; W48-Y77 HydrophobicContact CH2-CE1 3.79Å; W48-Y77 WeakPolarHBondContact CH2-OH 3.42Å; W48-Y77 HydrophobicContact CZ3-CD1 4.28Å; W48-Y77 AromaticContact CZ3-CE1 3.44Å; W48-Y77 HydrophobicContact CZ3-CE1 3.44Å; W48-Y77 VanDerWaalsContact CZ3-CE1 3.44Å; L73-Y77 PolarHBondContact O-N 2.88Å; D74-Y77 PolarHBondContact O-N 3.32Å; L75-Y77 VanDerWaalsContact C-N 3.29Å; L75-Y77 PolarHBondContact O-N 3.35Å; Y77-Y80 PolarHBondContact O-N 3.4Å; Y77-K81 HydrophobicContact CD2-CG 4.14Å; Y77-K81 HydrophobicContact CE1-CG 4.14Å; Y77-K81 HydrophobicContact CE2-CD 4.17Å; Y77-K81 HydrophobicContact CE2-CG 3.74Å; Y77-K81 WeakPolarHBondContact O-CB 3.16Å; Y77-K81 VanDerWaalsContact O-CG 3.31Å; Y77-K81 WeakPolarHBondContact O-CG 3.03Å; Y77-K81 PolarHBondContact O-N 3.25Å; Y77-K81 WeakPolarHBondContact OH-CE 3.36Å; Y77-Y107 WeakPolarHBondContact CB-OH 3.5Å
78	A	98.5	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-45.1	-176.1	0	0	0	0	0	112	L43 I52 D74 L75 Y80 K81 N82	L43-A78 HydrophobicContact CD2-CB 3.79Å; I52-A78 HydrophobicContact CD1-CB 4.18Å; I52-A78 HydrophobicContact CG1-CB 3.6Å; D74-A78 VanDerWaalsContact O-CB 3.26Å; D74-A78 WeakPolarHBondContact O-CB 3.49Å; D74-A78 PolarHBondContact O-N 2.93Å; L75-A78 PolarHBondContact O-N 3.38Å; A78-Y80 VanDerWaalsContact C-N 3.35Å; A78-Y80 PolarHBondContact O-N 3.38Å; A78-K81 PolarHBondContact O-N 3.24Å; A78-N82 VanDerWaalsContact O-CB 3.25Å; A78-N82 WeakPolarHBondContact O-CB 3.48Å; A78-N82 PolarHBondContact O-N 2.93Å
79	Y	98.4	Very high	97.4	Very high	19 Å²	19	41.3 Å²	41.3	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-59.5	-44.9	175.1	-70.4	-46.9	0	0	0	111.5	I52 E56 L75 K81 N82 A83 D84 L87 A91	I52-Y79 HydrophobicContact CB-CE1 4.48Å; I52-Y79 HydrophobicContact CD1-CD1 3.69Å; I52-Y79 HydrophobicContact CD1-CE1 4.12Å; I52-Y79 HydrophobicContact CG1-CD1 4.01Å; I52-Y79 HydrophobicContact CG1-CE1 4.1Å; I52-Y79 HydrophobicContact CG2-CD1 4.24Å; I52-Y79 HydrophobicContact CG2-CE1 3.52Å; E56-Y79 WeakPolarHBondContact CG-OH 3.38Å; E56-Y79 PolarHBondContact OE1-OH 2.96Å; L75-Y79 HydrophobicContact CB-CD2 4.19Å; L75-Y79 HydrophobicContact CB-CE2 3.88Å; L75-Y79 HydrophobicContact CD2-CE2 3.97Å; L75-Y79 HydrophobicContact CG-CE2 4.4Å; L75-Y79 WeakPolarHBondContact O-CB 3.47Å; L75-Y79 WeakPolarHBondContact O-CD2 3.43Å; L75-Y79 VanDerWaalsContact O-CG 3.28Å; L75-Y79 PolarHBondContact O-N 3.32Å; Y79-K81 PolarHBondContact O-N 3.14Å; Y79-N82 PolarHBondContact O-N 2.91Å; Y79-A83 PolarHBondContact O-N 3.2Å; Y79-D84 HydrophobicContact CD1-CB 3.9Å; Y79-D84 HydrophobicContact CG-CB 4.42Å; Y79-D84 PolarHBondContact O-N 3.41Å; Y79-L87 HydrophobicContact CD1-CB 3.75Å; Y79-L87 HydrophobicContact CD1-CD1 4.02Å; Y79-L87 HydrophobicContact CD2-CB 4.02Å; Y79-L87 HydrophobicContact CE1-CB 3.87Å; Y79-L87 HydrophobicContact CE1-CD1 3.67Å; Y79-L87 HydrophobicContact CE1-CG 4.39Å; Y79-L87 HydrophobicContact CE2-CB 4.13Å; Y79-L87 HydrophobicContact CG-CB 3.84Å; Y79-A91 HydrophobicContact CD2-CB 4.26Å; Y79-A91 HydrophobicContact CE2-CB 4.23Å
80	Y	98.1	Very high	97.6	Very high	58 Å²	58	40.3 Å²	40.3	23%	0.227	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-46.7	176.5	174.1	-99.5	0	0	0	111.6	I76 Y77 A78 N82 A83 L85 M111 L114 A118	I76-Y80 WeakPolarHBondContact O-CB 3.34Å; I76-Y80 PolarHBondContact O-N 3.4Å; I76-Y80 VanDerWaalsContact O-N 3.12Å; Y77-Y80 PolarHBondContact O-N 3.4Å; A78-Y80 VanDerWaalsContact C-N 3.35Å; A78-Y80 PolarHBondContact O-N 3.38Å; Y80-N82 VanDerWaalsContact C-N 3.33Å; Y80-N82 PolarHBondContact O-N 3.17Å; Y80-A83 PolarHBondContact O-N 3.02Å; Y80-L85 HydrophobicContact CD2-CD2 3.97Å; Y80-L85 HydrophobicContact CE2-CD2 4.46Å; Y80-M111 VanDerWaalsContact CB-CE 3.47Å; Y80-M111 HydrophobicContact CD1-CE 3.66Å; Y80-M111 HydrophobicContact CD2-CE 4.19Å; Y80-M111 HydrophobicContact CE1-CE 4.46Å; Y80-M111 HydrophobicContact CG-CE 3.49Å; Y80-M111 VanDerWaalsContact CG-CE 3.49Å; Y80-L114 HydrophobicContact CE2-CB 3.83Å; Y80-A118 HydrophobicContact CE2-CB 4.04Å
81	K	97.3	Very high	97.6	Very high	99 Å²	99	37.2 Å²	37.2	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-68.9	-29.7	179.7	-69.4	-65.1	-175.2	175.7	0	113.5	W48 Y77 A78 Y79 A83	W48-K81 HydrophobicContact CD2-CB 3.64Å; W48-K81 HydrophobicContact CD2-CG 4.42Å; W48-K81 HydrophobicContact CE3-CB 4.23Å; W48-K81 HydrophobicContact CG-CB 3.83Å; W48-K81 HydrophobicContact CZ2-CB 4.13Å; W48-K81 HydrophobicContact CZ2-CG 4.22Å; Y77-K81 HydrophobicContact CD2-CG 4.14Å; Y77-K81 HydrophobicContact CE1-CG 4.14Å; Y77-K81 HydrophobicContact CE2-CD 4.17Å; Y77-K81 HydrophobicContact CE2-CG 3.74Å; Y77-K81 WeakPolarHBondContact O-CB 3.16Å; Y77-K81 VanDerWaalsContact O-CG 3.31Å; Y77-K81 WeakPolarHBondContact O-CG 3.03Å; Y77-K81 PolarHBondContact O-N 3.25Å; Y77-K81 WeakPolarHBondContact OH-CE 3.36Å; A78-K81 PolarHBondContact O-N 3.24Å; Y79-K81 PolarHBondContact O-N 3.14Å; K81-A83 PolarHBondContact O-N 3.08Å
82	N	96.3	Very high	97.7	Very high	55 Å²	55	37.1 Å²	37.1	29%	0.294	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	0.8	174.8	-157.9	51.8	0	0	0	113.3	W48 I52 A78 Y79 Y80 D84	W48-N82 HydrophobicContact CB-CB 3.76Å; W48-N82 HydrophobicContact CG-CB 4.49Å; I52-N82 HydrophobicContact CD1-CB 3.87Å; A78-N82 VanDerWaalsContact O-CB 3.25Å; A78-N82 WeakPolarHBondContact O-CB 3.48Å; A78-N82 PolarHBondContact O-N 2.93Å; Y79-N82 PolarHBondContact O-N 2.91Å; Y80-N82 VanDerWaalsContact C-N 3.33Å; Y80-N82 PolarHBondContact O-N 3.17Å; N82-D84 PolarHBondContact ND2-OD2 3.4Å; N82-D84 PolarHBondContact O-N 3.13Å
83	A	95.3	Very high	97.7	Very high	73 Å²	73	39.6 Å²	39.6	60%	0.603	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	21.7	-172.3	0	0	0	0	0	114.8	Y79 Y80 K81 L85	Y79-A83 PolarHBondContact O-N 3.2Å; Y80-A83 PolarHBondContact O-N 3.02Å; K81-A83 PolarHBondContact O-N 3.08Å; A83-L85 PolarHBondContact O-N 2.79Å
84	D	96.4	Very high	97.7	Very high	51 Å²	51	43 Å²	43	27%	0.273	23%	0.231	S	C	.	.			trans	-81.9	53.9	170.5	-64.1	-34.3	0	0	0	110.3	Y79 N82 L87 A88	Y79-D84 HydrophobicContact CD1-CB 3.9Å; Y79-D84 HydrophobicContact CG-CB 4.42Å; Y79-D84 PolarHBondContact O-N 3.41Å; N82-D84 PolarHBondContact ND2-OD2 3.4Å; N82-D84 PolarHBondContact O-N 3.13Å; D84-L87 HydrophobicContact CB-CB 4.25Å; D84-L87 HydrophobicContact CB-CD1 4.18Å; D84-L87 WeakPolarHBondContact O-CB 2.9Å; D84-L87 PolarHBondContact O-N 3.09Å; D84-A88 PolarHBondContact O-N 3.3Å
85	L	96.4	Very high	97.6	Very high	20 Å²	20	42.3 Å²	42.3	11%	0.105	23%	0.228	C	C	.	.	H	α-helix	trans	-57.5	-41.3	-168.7	-52.9	179.9	0	0	0	113.5	Y80 A83 L87 A88 Q89 T115 A118 L119	Y80-L85 HydrophobicContact CD2-CD2 3.97Å; Y80-L85 HydrophobicContact CE2-CD2 4.46Å; A83-L85 PolarHBondContact O-N 2.79Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.49Å; L85-A88 WeakPolarHBondContact O-CB 3.44Å; L85-A88 PolarHBondContact O-N 2.63Å; L85-Q89 WeakPolarHBondContact O-CG 3.15Å; L85-Q89 PolarHBondContact O-N 3.23Å; L85-T115 HydrophobicContact CB-CG2 3.85Å; L85-T115 HydrophobicContact CD2-CG2 4.19Å; L85-T115 WeakPolarHBondContact O-CG2 3.16Å; L85-A118 HydrophobicContact CD1-CB 3.65Å; L85-A118 HydrophobicContact CD2-CB 4.06Å; L85-L119 HydrophobicContact CB-CD1 4.45Å; L85-L119 HydrophobicContact CB-CD2 3.79Å; L85-L119 HydrophobicContact CB-CG 3.9Å; L85-L119 HydrophobicContact CD1-CB 4.48Å; L85-L119 HydrophobicContact CD1-CD2 3.85Å; L85-L119 HydrophobicContact CD1-CG 3.79Å; L85-L119 HydrophobicContact CG-CD2 4.46Å
86	P	96.7	Very high	97.6	Very high	88 Å²	88	44 Å²	44	57%	0.571	24%	0.236	S	C	*	.	H	α-helix	trans	-61.8	-35.8	175.1	-24.5	36.1	0	0	0	113.7	Q89 A90	P86-Q89 PolarHBondContact O-N 3.34Å; P86-A90 PolarHBondContact O-N 3.45Å; P86-A90 VanDerWaalsContact O-N 3.08Å
87	L	97.7	Very high	97.5	Very high	86 Å²	86	52.5 Å²	52.5	45%	0.45	27%	0.268	S	S	.	.	H	α-helix	trans	-71.2	-39.8	175.9	-65.9	179.2	0	0	0	111	Y79 D84 L85 Q89 A90 A91	Y79-L87 HydrophobicContact CD1-CB 3.75Å; Y79-L87 HydrophobicContact CD1-CD1 4.02Å; Y79-L87 HydrophobicContact CD2-CB 4.02Å; Y79-L87 HydrophobicContact CE1-CB 3.87Å; Y79-L87 HydrophobicContact CE1-CD1 3.67Å; Y79-L87 HydrophobicContact CE1-CG 4.39Å; Y79-L87 HydrophobicContact CE2-CB 4.13Å; Y79-L87 HydrophobicContact CG-CB 3.84Å; D84-L87 HydrophobicContact CB-CB 4.25Å; D84-L87 HydrophobicContact CB-CD1 4.18Å; D84-L87 WeakPolarHBondContact O-CB 2.9Å; D84-L87 PolarHBondContact O-N 3.09Å; L85-L87 VanDerWaalsContact C-N 3.31Å; L85-L87 PolarHBondContact O-N 3.49Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 3.34Å; L87-A90 PolarHBondContact O-N 3.13Å; L87-A91 WeakPolarHBondContact O-CB 3.2Å; L87-A91 PolarHBondContact O-N 3.03Å
88	A	98.3	Very high	97.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-46.8	172.3	0	0	0	0	0	111.1	D84 L85 A90 A91 I92 T115	D84-A88 PolarHBondContact O-N 3.3Å; L85-A88 WeakPolarHBondContact O-CB 3.44Å; L85-A88 PolarHBondContact O-N 2.63Å; A88-A90 PolarHBondContact O-N 3.02Å; A88-A91 PolarHBondContact O-N 3.43Å; A88-I92 WeakPolarHBondContact O-CB 3.38Å; A88-I92 WeakPolarHBondContact O-CD1 3.39Å; A88-I92 WeakPolarHBondContact O-CG1 3.4Å; A88-I92 PolarHBondContact O-N 3.33Å; A88-T115 HydrophobicContact CB-CG2 4.07Å
89	Q	97.8	Very high	97.3	Very high	45 Å²	45	54.6 Å²	54.6	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-45.9	177	-68.4	-172.4	-38.9	0	0	112.5	L85 P86 L87 A91 I92 D93 T115 N116	L85-Q89 WeakPolarHBondContact O-CG 3.15Å; L85-Q89 PolarHBondContact O-N 3.23Å; P86-Q89 PolarHBondContact O-N 3.34Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 3.34Å; Q89-A91 VanDerWaalsContact C-N 3.34Å; Q89-A91 PolarHBondContact O-N 3.5Å; Q89-I92 WeakPolarHBondContact O-CB 3.38Å; Q89-I92 PolarHBondContact O-N 3.36Å; Q89-D93 WeakPolarHBondContact O-CB 3.46Å; Q89-D93 PolarHBondContact O-N 3.32Å; Q89-T115 HydrophobicContact CG-CG2 3.46Å; Q89-T115 VanDerWaalsContact CG-CG2 3.46Å; Q89-N116 PolarHBondContact NE2-OD1 3.28Å
90	A	98	Very high	97.2	Very high	58 Å²	58	57.3 Å²	57.3	48%	0.479	30%	0.304	S	S	.	.	H	α-helix	trans	-61.7	-42.1	178.2	0	0	0	0	0	112.1	P86 L87 A88 R94	P86-A90 PolarHBondContact O-N 3.45Å; P86-A90 VanDerWaalsContact O-N 3.08Å; L87-A90 PolarHBondContact O-N 3.13Å; A88-A90 PolarHBondContact O-N 3.02Å; A90-R94 WeakPolarHBondContact O-CB 3.03Å; A90-R94 PolarHBondContact O-N 3.05Å
91	A	98.1	Very high	97	Very high	10 Å²	10	60.9 Å²	60.9	8%	0.083	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-42.1	176.4	0	0	0	0	0	112	I76 Y79 L87 A88 Q89 R94 F95	I76-A91 HydrophobicContact CG1-CB 3.72Å; Y79-A91 HydrophobicContact CD2-CB 4.26Å; Y79-A91 HydrophobicContact CE2-CB 4.23Å; L87-A91 WeakPolarHBondContact O-CB 3.2Å; L87-A91 PolarHBondContact O-N 3.03Å; A88-A91 PolarHBondContact O-N 3.43Å; Q89-A91 VanDerWaalsContact C-N 3.34Å; Q89-A91 PolarHBondContact O-N 3.5Å; A91-R94 PolarHBondContact O-N 3.47Å; A91-F95 WeakPolarHBondContact O-CB 3.44Å; A91-F95 PolarHBondContact O-N 2.85Å
92	I	98.5	Very high	97	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-51.1	174.9	-73.7	164.2	0	0	0	111.1	I76 A88 Q89 R94 F95 I96 V108 M111 R112	I76-I92 HydrophobicContact CB-CG1 4.33Å; I76-I92 HydrophobicContact CD1-CB 4.45Å; I76-I92 HydrophobicContact CD1-CG1 3.78Å; I76-I92 HydrophobicContact CG1-CG1 3.83Å; I76-I92 HydrophobicContact CG2-CD1 3.86Å; I76-I92 HydrophobicContact CG2-CG1 3.56Å; A88-I92 WeakPolarHBondContact O-CB 3.38Å; A88-I92 WeakPolarHBondContact O-CD1 3.39Å; A88-I92 WeakPolarHBondContact O-CG1 3.4Å; A88-I92 PolarHBondContact O-N 3.33Å; Q89-I92 WeakPolarHBondContact O-CB 3.38Å; Q89-I92 PolarHBondContact O-N 3.36Å; I92-R94 VanDerWaalsContact C-N 3.31Å; I92-R94 PolarHBondContact O-N 2.87Å; I92-F95 PolarHBondContact O-N 3.34Å; I92-F95 VanDerWaalsContact O-N 3.16Å; I92-I96 HydrophobicContact CG2-CD1 3.79Å; I92-I96 HydrophobicContact CG2-CG1 4.49Å; I92-I96 WeakPolarHBondContact O-CG1 3.31Å; I92-I96 PolarHBondContact O-N 3.25Å; I92-V108 HydrophobicContact CB-CG1 4.29Å; I92-V108 HydrophobicContact CG1-CG1 4.28Å; I92-V108 HydrophobicContact CG2-CG1 3.83Å; I92-M111 HydrophobicContact CD1-CB 4.07Å; I92-R112 HydrophobicContact CD1-CB 4.29Å; I92-R112 HydrophobicContact CG2-CB 3.79Å; I92-R112 HydrophobicContact CG2-CG 3.8Å
93	D	98.1	Very high	97	Very high	68 Å²	68	60.2 Å²	60.2	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-40.1	-179.1	-82.4	-33.9	0	0	0	111.8	Q89 R97 R112	Q89-D93 WeakPolarHBondContact O-CB 3.46Å; Q89-D93 PolarHBondContact O-N 3.32Å; D93-R97 VanDerWaalsContact O-CB 3.3Å; D93-R97 WeakPolarHBondContact O-CB 3.2Å; D93-R97 PolarHBondContact O-N 3.47Å; D93-R97 VanDerWaalsContact O-N 3.16Å; D93-R112 IonicContact OD1-CZ 3.82Å; D93-R112 IonicContact OD1-NH1 2.63Å; D93-R112 PolarHBondContact OD1-NH1 3.17Å; D93-R112 IonicContact OD1-NH2 3.56Å; D93-R112 PolarHBondContact OD1-NH2 3.46Å; D93-R112 IonicContact OD2-NH2 2.87Å; D93-R112 PolarHBondContact OD2-NH2 3.3Å
94	R	97.2	Very high	97.1	Very high	79 Å²	79	60 Å²	60	30%	0.298	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-47.4	172.8	-175.1	178.1	70.8	164.8	3.4	111	D59 A90 A91 I92 R97 L98	D59-R94 IonicContact OD1-NH2 2.66Å; D59-R94 IonicContact OD2-CZ 3.87Å; D59-R94 VanDerWaalsContact OD2-CZ 3.27Å; D59-R94 IonicContact OD2-NH1 3.31Å; D59-R94 PolarHBondContact OD2-NH1 3.47Å; D59-R94 IonicContact OD2-NH2 2.89Å; D59-R94 PolarHBondContact OD2-NH2 3.46Å; A90-R94 WeakPolarHBondContact O-CB 3.03Å; A90-R94 PolarHBondContact O-N 3.05Å; A91-R94 PolarHBondContact O-N 3.47Å; I92-R94 VanDerWaalsContact C-N 3.31Å; I92-R94 PolarHBondContact O-N 2.87Å; R94-R97 PolarHBondContact O-N 2.89Å; R94-L98 HydrophobicContact CG-CD1 3.77Å; R94-L98 HydrophobicContact CG-CG 4.44Å; R94-L98 WeakPolarHBondContact O-CB 3.31Å; R94-L98 VanDerWaalsContact O-CG 3.29Å; R94-L98 WeakPolarHBondContact O-CG 3.31Å; R94-L98 PolarHBondContact O-N 3.36Å
95	F	97.9	Very high	97.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-47.8	-178	-170.4	-82	0	0	0	112.2	Q69 Q72 L73 I76 A91 I92 R97 L98 N99 H102 I105 V108	Q69-F95 HydrophobicContact CB-CE2 4.27Å; Q72-F95 HydrophobicContact CB-CD2 3.71Å; Q72-F95 HydrophobicContact CB-CE2 4.21Å; L73-F95 HydrophobicContact CD2-CD1 4.45Å; L73-F95 HydrophobicContact CD2-CD2 4.13Å; L73-F95 HydrophobicContact CD2-CE1 4.01Å; L73-F95 HydrophobicContact CD2-CE2 3.65Å; L73-F95 HydrophobicContact CD2-CG 4.49Å; L73-F95 HydrophobicContact CD2-CZ 3.59Å; L73-F95 HydrophobicContact CG-CE2 3.94Å; L73-F95 HydrophobicContact CG-CZ 4.1Å; I76-F95 HydrophobicContact CD1-CB 4.17Å; A91-F95 WeakPolarHBondContact O-CB 3.44Å; A91-F95 PolarHBondContact O-N 2.85Å; I92-F95 PolarHBondContact O-N 3.34Å; I92-F95 VanDerWaalsContact O-N 3.16Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 3.41Å; F95-L98 PolarHBondContact O-N 2.97Å; F95-N99 HydrophobicContact CD1-CB 4.36Å; F95-N99 HydrophobicContact CE1-CB 4.02Å; F95-N99 HydrophobicContact CZ-CB 4.21Å; F95-N99 PolarHBondContact O-N 2.88Å; F95-N99 PolarHBondContact O-ND2 2.97Å; F95-H102 HydrophobicContact CE1-CB 3.95Å; F95-H102 AromaticContact CE1-CG 3.97Å; F95-H102 HydrophobicContact CZ-CB 4.16Å; F95-H102 AromaticContact CZ-CD2 3.99Å; F95-H102 AromaticContact CZ-CG 3.72Å; F95-H102 AromaticContact CZ-ND1 3.79Å; F95-I105 HydrophobicContact CD1-CD1 4.3Å; F95-I105 HydrophobicContact CE1-CD1 4.39Å; F95-V108 HydrophobicContact CB-CG1 4.43Å; F95-V108 HydrophobicContact CD1-CB 4.31Å; F95-V108 HydrophobicContact CD1-CG1 4.12Å; F95-V108 HydrophobicContact CD1-CG2 3.67Å; F95-V108 HydrophobicContact CE1-CG2 3.81Å; F95-V108 HydrophobicContact CG-CG2 4.31Å
96	I	97.4	Very high	97.2	Very high	39 Å²	39	57.8 Å²	57.8	20%	0.2	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-42.7	179.3	-67.4	170.6	0	0	0	110.7	I92 P100 I105 V108	I92-I96 HydrophobicContact CG2-CD1 3.79Å; I92-I96 HydrophobicContact CG2-CG1 4.49Å; I92-I96 WeakPolarHBondContact O-CG1 3.31Å; I92-I96 PolarHBondContact O-N 3.25Å; I96-P100 WeakPolarHBondContact O-CA 3.3Å; I96-I105 HydrophobicContact CB-CD1 4.32Å; I96-I105 HydrophobicContact CG1-CD1 3.84Å; I96-V108 HydrophobicContact CD1-CG1 4.04Å; I96-V108 HydrophobicContact CG1-CG1 3.67Å
97	R	97.1	Very high	97.3	Very high	178 Å²	178	55.2 Å²	55.2	67%	0.672	30%	0.295	S	S	*	.	H	α-helix	trans	-65.7	-39.4	180	179.2	172.4	56	92.3	0.4	112.6	D93 R94 F95	D93-R97 VanDerWaalsContact O-CB 3.3Å; D93-R97 WeakPolarHBondContact O-CB 3.2Å; D93-R97 PolarHBondContact O-N 3.47Å; D93-R97 VanDerWaalsContact O-N 3.16Å; R94-R97 PolarHBondContact O-N 2.89Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 3.41Å
98	L	96.1	Very high	97.4	Very high	94 Å²	94	51.1 Å²	51.1	49%	0.492	27%	0.273	S	S	.	.	H	α-helix	trans	-84.8	-29.8	-177.2	-65.1	178	0	0	0	113	R94 F95 P100	R94-L98 HydrophobicContact CG-CD1 3.77Å; R94-L98 HydrophobicContact CG-CG 4.44Å; R94-L98 WeakPolarHBondContact O-CB 3.31Å; R94-L98 VanDerWaalsContact O-CG 3.29Å; R94-L98 WeakPolarHBondContact O-CG 3.31Å; R94-L98 PolarHBondContact O-N 3.36Å; F95-L98 PolarHBondContact O-N 2.97Å; L98-P100 VanDerWaalsContact C-CD 3.48Å
99	N	96.1	Very high	97.4	Very high	26 Å²	26	53 Å²	53	14%	0.139	28%	0.282	C	S	.	.			trans	-131.8	55.6	-172.5	-46.7	-83.4	0	0	0	112.4	Q69 F95 T101 H102	Q69-N99 PolarHBondContact NE2-OD1 2.8Å; F95-N99 HydrophobicContact CD1-CB 4.36Å; F95-N99 HydrophobicContact CE1-CB 4.02Å; F95-N99 HydrophobicContact CZ-CB 4.21Å; F95-N99 PolarHBondContact O-N 2.88Å; F95-N99 PolarHBondContact O-ND2 2.97Å; N99-T101 PolarHBondContact O-N 3.2Å; N99-T101 VanDerWaalsContact O-N 3.1Å; N99-H102 HydrophobicContact CB-CB 3.96Å; N99-H102 WeakPolarHBondContact O-CB 3.15Å; N99-H102 PolarHBondContact O-N 3.39Å; N99-H102 VanDerWaalsContact O-N 3.11Å
100	P	95.6	Very high	97.4	Very high	77 Å²	77	52.2 Å²	52.2	50%	0.5	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.4	-172.2	26.1	-35.9	0	0	0	114.3	I96 L98	I96-P100 WeakPolarHBondContact O-CA 3.3Å; L98-P100 VanDerWaalsContact C-CD 3.48Å
101	T	95.8	Very high	97.4	Very high	133 Å²	133	49.8 Å²	49.8	82%	0.816	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	15.4	-179.4	62.3	0	0	0	0	113	N99	N99-T101 PolarHBondContact O-N 3.2Å; N99-T101 VanDerWaalsContact O-N 3.1Å
102	H	96.7	Very high	97.5	Very high	28 Å²	28	52.4 Å²	52.4	13%	0.13	26%	0.264	C	S	.	.			trans	-62.4	140.6	180	-171.1	-94.8	0	0	0	111.1	Q69 F95 N99 N104 I105	Q69-H102 PolarHBondContact OE1-CD2 2.87Å; F95-H102 HydrophobicContact CE1-CB 3.95Å; F95-H102 AromaticContact CE1-CG 3.97Å; F95-H102 HydrophobicContact CZ-CB 4.16Å; F95-H102 AromaticContact CZ-CD2 3.99Å; F95-H102 AromaticContact CZ-CG 3.72Å; F95-H102 AromaticContact CZ-ND1 3.79Å; N99-H102 HydrophobicContact CB-CB 3.96Å; N99-H102 WeakPolarHBondContact O-CB 3.15Å; N99-H102 PolarHBondContact O-N 3.39Å; N99-H102 VanDerWaalsContact O-N 3.11Å; H102-N104 PolarHBondContact ND1-N 2.89Å; H102-N104 PolarHBondContact O-N 3.12Å; H102-N104 VanDerWaalsContact O-N 3.13Å; H102-I105 VanDerWaalsContact O-CB 3.27Å; H102-I105 WeakPolarHBondContact O-CB 3.39Å; H102-I105 VanDerWaalsContact O-CG2 3.26Å; H102-I105 WeakPolarHBondContact O-CG2 3.38Å; H102-I105 PolarHBondContact O-N 3.45Å
103	P	96.2	Very high	97.4	Very high	112 Å²	112	52.4 Å²	52.4	73%	0.727	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.7	-179.4	-28.5	36	0	0	0	114.5
104	N	96.7	Very high	97.4	Very high	69 Å²	69	49.7 Å²	49.7	37%	0.369	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	25.2	179	-56.3	-27.2	0	0	0	113.3	L73 H102 D106 Y107 V108	L73-N104 HydrophobicContact CD1-CB 4.34Å; H102-N104 PolarHBondContact ND1-N 2.89Å; H102-N104 PolarHBondContact O-N 3.12Å; H102-N104 VanDerWaalsContact O-N 3.13Å; N104-D106 VanDerWaalsContact C-OD1 3.28Å; N104-D106 WeakPolarHBondContact CA-OD1 3.44Å; N104-D106 PolarHBondContact O-N 2.71Å; N104-Y107 WeakPolarHBondContact O-CB 3.4Å; N104-Y107 PolarHBondContact O-N 2.88Å; N104-V108 PolarHBondContact O-N 2.95Å
105	I	98	Very high	97.5	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-28.6	179.4	-168.1	63.9	0	0	0	112	F95 I96 H102 V108 M109 Y154	F95-I105 HydrophobicContact CD1-CD1 4.3Å; F95-I105 HydrophobicContact CE1-CD1 4.39Å; I96-I105 HydrophobicContact CB-CD1 4.32Å; I96-I105 HydrophobicContact CG1-CD1 3.84Å; H102-I105 VanDerWaalsContact O-CB 3.27Å; H102-I105 WeakPolarHBondContact O-CB 3.39Å; H102-I105 VanDerWaalsContact O-CG2 3.26Å; H102-I105 WeakPolarHBondContact O-CG2 3.38Å; H102-I105 PolarHBondContact O-N 3.45Å; I105-V108 PolarHBondContact O-N 3.03Å; I105-M109 HydrophobicContact CG1-CE 4.2Å; I105-M109 WeakPolarHBondContact O-CG 3.36Å; I105-M109 PolarHBondContact O-N 3.28Å; I105-Y154 HydrophobicContact CG2-CE1 3.73Å; I105-Y154 HydrophobicContact CG2-CE2 4.14Å; I105-Y154 VanDerWaalsContact CG2-CZ 3.4Å; I105-Y154 WeakPolarHBondContact CG2-OH 3.36Å
106	D	98.2	Very high	97.4	Very high	20 Å²	20	46.4 Å²	46.4	11%	0.107	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-42.2	173.4	65.3	-31.3	0	0	0	112.1	N104 V108 M109 Y110 L150 Y154 S157 Y159	N104-D106 VanDerWaalsContact C-OD1 3.28Å; N104-D106 WeakPolarHBondContact CA-OD1 3.44Å; N104-D106 PolarHBondContact O-N 2.71Å; D106-V108 VanDerWaalsContact C-N 3.31Å; D106-V108 PolarHBondContact O-N 3.4Å; D106-M109 PolarHBondContact O-N 3Å; D106-Y110 WeakPolarHBondContact O-CB 3.38Å; D106-Y110 PolarHBondContact O-N 3.4Å; D106-L150 HydrophobicContact CB-CD1 3.77Å; D106-L150 WeakPolarHBondContact O-CD1 3.42Å; D106-Y154 HydrophobicContact CB-CD1 4.25Å; D106-Y154 HydrophobicContact CB-CD2 4.23Å; D106-Y154 HydrophobicContact CB-CG 3.93Å; D106-S157 VanDerWaalsContact OD2-CB 3.22Å; D106-S157 WeakPolarHBondContact OD2-CB 3.23Å; D106-S157 PolarHBondContact OD2-OG 3.14Å; D106-Y159 HydrophobicContact CB-CD2 4.49Å
107	Y	98.4	Very high	97.3	Very high	34 Å²	34	45.6 Å²	45.6	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-45	171	167.9	-108.9	0	0	0	111.5	L73 Y77 N104 Y110 M111 Y159	L73-Y107 HydrophobicContact CB-CE1 4.43Å; L73-Y107 HydrophobicContact CD2-CD1 4.07Å; L73-Y107 HydrophobicContact CD2-CE1 4.25Å; Y77-Y107 WeakPolarHBondContact CB-OH 3.5Å; N104-Y107 WeakPolarHBondContact O-CB 3.4Å; N104-Y107 PolarHBondContact O-N 2.88Å; Y107-Y110 WeakPolarHBondContact O-CB 3.26Å; Y107-Y110 PolarHBondContact O-N 3.16Å; Y107-M111 HydrophobicContact CD1-CG 4.44Å; Y107-M111 HydrophobicContact CD2-CG 3.98Å; Y107-M111 HydrophobicContact CE1-CG 3.95Å; Y107-M111 HydrophobicContact CE2-CG 3.44Å; Y107-M111 VanDerWaalsContact CE2-CG 3.44Å; Y107-M111 HydrophobicContact CE2-SD 3.75Å; Y107-M111 HydrophobicContact CG-CG 4.45Å; Y107-M111 VanDerWaalsContact CZ-CG 3.41Å; Y107-M111 WeakPolarHBondContact O-CG 3.47Å; Y107-M111 PolarHBondContact O-N 3.31Å; Y107-Y159 VanDerWaalsContact CB-CE2 3.47Å; Y107-Y159 HydrophobicContact CD2-CE1 4.01Å; Y107-Y159 HydrophobicContact CD2-CE2 4.2Å; Y107-Y159 AromaticContact CD2-CZ 3.59Å; Y107-Y159 VanDerWaalsContact CD2-OH 3.3Å; Y107-Y159 WeakPolarHBondContact CD2-OH 3.3Å; Y107-Y159 HydrophobicContact CG-CE2 4.33Å
108	V	98.5	Very high	97.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.7	-39.9	-178.1	178.4	0	0	0	0	111.3	L73 I76 I92 F95 I96 N104 I105 D106 Y110 M111 R112	L73-V108 HydrophobicContact CD2-CG2 3.38Å; I76-V108 HydrophobicContact CD1-CG1 4.2Å; I76-V108 HydrophobicContact CD1-CG2 4.36Å; I92-V108 HydrophobicContact CB-CG1 4.29Å; I92-V108 HydrophobicContact CG1-CG1 4.28Å; I92-V108 HydrophobicContact CG2-CG1 3.83Å; F95-V108 HydrophobicContact CB-CG1 4.43Å; F95-V108 HydrophobicContact CD1-CB 4.31Å; F95-V108 HydrophobicContact CD1-CG1 4.12Å; F95-V108 HydrophobicContact CD1-CG2 3.67Å; F95-V108 HydrophobicContact CE1-CG2 3.81Å; F95-V108 HydrophobicContact CG-CG2 4.31Å; I96-V108 HydrophobicContact CD1-CG1 4.04Å; I96-V108 HydrophobicContact CG1-CG1 3.67Å; N104-V108 PolarHBondContact O-N 2.95Å; I105-V108 PolarHBondContact O-N 3.03Å; D106-V108 VanDerWaalsContact C-N 3.31Å; D106-V108 PolarHBondContact O-N 3.4Å; V108-Y110 VanDerWaalsContact C-N 3.35Å; V108-M111 PolarHBondContact O-N 3.47Å; V108-R112 PolarHBondContact O-N 2.9Å
109	M	98.4	Very high	96.9	Very high	39 Å²	39	36 Å²	36	19%	0.192	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-41.2	172	-67.8	-171.4	-176.4	0	0	112	I105 D106 R112 G113 L150 Y154	I105-M109 HydrophobicContact CG1-CE 4.2Å; I105-M109 WeakPolarHBondContact O-CG 3.36Å; I105-M109 PolarHBondContact O-N 3.28Å; D106-M109 PolarHBondContact O-N 3Å; M109-R112 WeakPolarHBondContact O-CB 3.49Å; M109-R112 PolarHBondContact O-N 3.08Å; M109-G113 PolarHBondContact O-N 3.4Å; M109-G113 VanDerWaalsContact O-N 3.16Å; M109-L150 HydrophobicContact CB-CB 4.17Å; M109-L150 HydrophobicContact CB-CD1 4.33Å; M109-Y154 HydrophobicContact CE-CE2 3.74Å; M109-Y154 HydrophobicContact SD-CD2 4.09Å; M109-Y154 HydrophobicContact SD-CE2 3.67Å
110	Y	98.7	Very high	96.6	Very high	29 Å²	29	35.1 Å²	35.1	11%	0.114	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-46.6	175.7	177.3	-111.2	0	0	0	111.9	D106 Y107 V108 R112 G113 L114 F147 L150 Y159 D162 A163	D106-Y110 WeakPolarHBondContact O-CB 3.38Å; D106-Y110 PolarHBondContact O-N 3.4Å; Y107-Y110 WeakPolarHBondContact O-CB 3.26Å; Y107-Y110 PolarHBondContact O-N 3.16Å; V108-Y110 VanDerWaalsContact C-N 3.35Å; Y110-R112 PolarHBondContact O-N 3.23Å; Y110-G113 PolarHBondContact O-N 2.84Å; Y110-L114 HydrophobicContact CD1-CD1 3.92Å; Y110-L114 HydrophobicContact CD1-CG 4.43Å; Y110-L114 HydrophobicContact CE1-CD1 3.34Å; Y110-L114 HydrophobicContact CE1-CG 4.01Å; Y110-L114 HydrophobicContact CE2-CD1 4.45Å; Y110-L114 HydrophobicContact CE2-CD2 4.44Å; Y110-L114 HydrophobicContact CE2-CG 4.26Å; Y110-L114 PolarHBondContact O-N 3.42Å; Y110-F147 HydrophobicContact CD2-CD1 4.22Å; Y110-F147 AromaticContact CD2-CE1 3.65Å; Y110-F147 HydrophobicContact CD2-CE1 3.65Å; Y110-F147 AromaticContact CE2-CE1 3.88Å; Y110-F147 HydrophobicContact CE2-CE1 3.88Å; Y110-L150 HydrophobicContact CD2-CD2 3.97Å; Y110-L150 HydrophobicContact CG-CD2 4.28Å; Y110-Y159 AromaticContact CD1-CD1 3.59Å; Y110-Y159 HydrophobicContact CD1-CD1 3.59Å; Y110-Y159 HydrophobicContact CD1-CE1 4.2Å; Y110-Y159 AromaticContact CD1-CG 3.97Å; Y110-Y159 HydrophobicContact CD1-CG 3.97Å; Y110-Y159 HydrophobicContact CD2-CG 4.47Å; Y110-Y159 AromaticContact CE1-CD1 3.91Å; Y110-Y159 HydrophobicContact CE1-CD1 3.91Å; Y110-Y159 AromaticContact CG-CD1 3.99Å; Y110-Y159 HydrophobicContact CG-CD1 3.99Å; Y110-Y159 AromaticContact CG-CG 3.89Å; Y110-Y159 HydrophobicContact CG-CG 3.89Å; Y110-D162 HydrophobicContact CE2-CB 4.35Å; Y110-D162 PolarHBondContact OH-OD2 2.66Å; Y110-A163 HydrophobicContact CD2-CB 4.32Å
111	M	98.7	Very high	95.8	Very high	7 Å²	7	35.4 Å²	35.4	3%	0.034	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-32.6	175.5	-71.7	-59.1	-62.9	0	0	112.4	I76 Y80 I92 Y107 V108 L114 T115	I76-M111 HydrophobicContact CG2-CB 3.81Å; I76-M111 HydrophobicContact CG2-CE 4.23Å; I76-M111 HydrophobicContact CG2-CG 4.05Å; Y80-M111 VanDerWaalsContact CB-CE 3.47Å; Y80-M111 HydrophobicContact CD1-CE 3.66Å; Y80-M111 HydrophobicContact CD2-CE 4.19Å; Y80-M111 HydrophobicContact CE1-CE 4.46Å; Y80-M111 HydrophobicContact CG-CE 3.49Å; Y80-M111 VanDerWaalsContact CG-CE 3.49Å; I92-M111 HydrophobicContact CD1-CB 4.07Å; Y107-M111 HydrophobicContact CD1-CG 4.44Å; Y107-M111 HydrophobicContact CD2-CG 3.98Å; Y107-M111 HydrophobicContact CE1-CG 3.95Å; Y107-M111 HydrophobicContact CE2-CG 3.44Å; Y107-M111 VanDerWaalsContact CE2-CG 3.44Å; Y107-M111 HydrophobicContact CE2-SD 3.75Å; Y107-M111 HydrophobicContact CG-CG 4.45Å; Y107-M111 VanDerWaalsContact CZ-CG 3.41Å; Y107-M111 WeakPolarHBondContact O-CG 3.47Å; Y107-M111 PolarHBondContact O-N 3.31Å; V108-M111 PolarHBondContact O-N 3.47Å; M111-L114 PolarHBondContact O-N 3.44Å; M111-L114 HydrophobicContact SD-CD1 3.93Å; M111-T115 VanDerWaalsContact O-CB 3.3Å; M111-T115 WeakPolarHBondContact O-CB 3.16Å; M111-T115 PolarHBondContact O-N 3.38Å; M111-T115 PolarHBondContact O-OG1 2.93Å
112	R	98.6	Very high	94.3	Very high	65 Å²	65	31.4 Å²	31.4	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-48.2	173.9	-159.9	-175.3	173	131.5	18.9	111.7	I92 D93 V108 M109 Y110 T115 N116 D146	I92-R112 HydrophobicContact CD1-CB 4.29Å; I92-R112 HydrophobicContact CG2-CB 3.79Å; I92-R112 HydrophobicContact CG2-CG 3.8Å; D93-R112 IonicContact OD1-CZ 3.82Å; D93-R112 IonicContact OD1-NH1 2.63Å; D93-R112 PolarHBondContact OD1-NH1 3.17Å; D93-R112 IonicContact OD1-NH2 3.56Å; D93-R112 PolarHBondContact OD1-NH2 3.46Å; D93-R112 IonicContact OD2-NH2 2.87Å; D93-R112 PolarHBondContact OD2-NH2 3.3Å; V108-R112 PolarHBondContact O-N 2.9Å; M109-R112 WeakPolarHBondContact O-CB 3.49Å; M109-R112 PolarHBondContact O-N 3.08Å; Y110-R112 PolarHBondContact O-N 3.23Å; R112-T115 PolarHBondContact O-N 2.95Å; R112-N116 PolarHBondContact O-N 2.72Å; R112-D146 HydrophobicContact CB-CB 4.36Å; R112-D146 VanDerWaalsContact CD-CG 3.43Å; R112-D146 WeakPolarHBondContact CD-OD1 3.33Å; R112-D146 WeakPolarHBondContact CD-OD2 3.29Å; R112-D146 HydrophobicContact CG-CB 4.43Å; R112-D146 VanDerWaalsContact CG-OD2 3.26Å; R112-D146 WeakPolarHBondContact CG-OD2 3.35Å; R112-D146 IonicContact NE-OD1 3.27Å; R112-D146 PolarHBondContact NE-OD1 3.33Å; R112-D146 IonicContact NE-OD2 2.73Å; R112-D146 PolarHBondContact NE-OD2 3.47Å
113	G	98.3	Very high	92.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-44.7	175.5	0	0	0	0	0	112.1	M109 Y110 T115 N116 M117 A143	M109-G113 PolarHBondContact O-N 3.4Å; M109-G113 VanDerWaalsContact O-N 3.16Å; Y110-G113 PolarHBondContact O-N 2.84Å; G113-T115 PolarHBondContact O-N 3.4Å; G113-N116 PolarHBondContact O-N 3.45Å; G113-M117 WeakPolarHBondContact O-CB 3.39Å; G113-M117 PolarHBondContact O-N 3.02Å; G113-A143 WeakPolarHBondContact O-CB 3.43Å
114	L	97.9	Very high	90.6	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-43.2	175.3	-74.7	-178.2	0	0	0	112.5	Y80 Y110 M111 M117 A118 F147	Y80-L114 HydrophobicContact CE2-CB 3.83Å; Y110-L114 HydrophobicContact CD1-CD1 3.92Å; Y110-L114 HydrophobicContact CD1-CG 4.43Å; Y110-L114 HydrophobicContact CE1-CD1 3.34Å; Y110-L114 HydrophobicContact CE1-CG 4.01Å; Y110-L114 HydrophobicContact CE2-CD1 4.45Å; Y110-L114 HydrophobicContact CE2-CD2 4.44Å; Y110-L114 HydrophobicContact CE2-CG 4.26Å; Y110-L114 PolarHBondContact O-N 3.42Å; M111-L114 PolarHBondContact O-N 3.44Å; M111-L114 HydrophobicContact SD-CD1 3.93Å; L114-M117 PolarHBondContact O-N 2.98Å; L114-A118 WeakPolarHBondContact O-CB 3.26Å; L114-A118 PolarHBondContact O-N 3.46Å; L114-F147 HydrophobicContact CD2-CZ 4.19Å; L114-F147 HydrophobicContact CG-CZ 4.32Å; L114-F147 VanDerWaalsContact N-CZ 3.33Å
115	T	97.6	Very high	88.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-43.4	-179.3	-57.9	0	0	0	0	111.1	L85 A88 Q89 M111 R112 G113 A118 L119	L85-T115 HydrophobicContact CB-CG2 3.85Å; L85-T115 HydrophobicContact CD2-CG2 4.19Å; L85-T115 WeakPolarHBondContact O-CG2 3.16Å; A88-T115 HydrophobicContact CB-CG2 4.07Å; Q89-T115 HydrophobicContact CG-CG2 3.46Å; Q89-T115 VanDerWaalsContact CG-CG2 3.46Å; M111-T115 VanDerWaalsContact O-CB 3.3Å; M111-T115 WeakPolarHBondContact O-CB 3.16Å; M111-T115 PolarHBondContact O-N 3.38Å; M111-T115 PolarHBondContact O-OG1 2.93Å; R112-T115 PolarHBondContact O-N 2.95Å; G113-T115 PolarHBondContact O-N 3.4Å; T115-A118 PolarHBondContact O-N 3.47Å; T115-L119 WeakPolarHBondContact O-CG 3.34Å; T115-L119 PolarHBondContact O-N 2.76Å
116	N	97.1	Very high	87.2	Confident	11 Å²	11	38.1 Å²	38.1	6%	0.059	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-41.2	173.1	-86.9	-47.9	0	0	0	111.9	Q89 R112 G113 A118 L119 D120 H139 A142 A143 D146	Q89-N116 PolarHBondContact NE2-OD1 3.28Å; R112-N116 PolarHBondContact O-N 2.72Å; G113-N116 PolarHBondContact O-N 3.45Å; N116-A118 VanDerWaalsContact C-N 3.32Å; N116-A118 PolarHBondContact O-N 2.9Å; N116-L119 PolarHBondContact O-N 2.79Å; N116-D120 PolarHBondContact O-N 3.38Å; N116-D120 VanDerWaalsContact O-N 3.11Å; N116-H139 WeakPolarHBondContact O-CB 3.23Å; N116-A142 HydrophobicContact CB-CB 4.24Å; N116-A143 HydrophobicContact CB-CB 3.71Å; N116-D146 PolarHBondContact ND2-OD2 3.42Å
117	M	95.1	Very high	85.4	Confident	21 Å²	21	45.4 Å²	45.4	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-64.1	-37.4	175.9	-170.4	174.1	175.6	0	0	111.9	G113 L114 D120 D121 A143 F147 R166 F169	G113-M117 WeakPolarHBondContact O-CB 3.39Å; G113-M117 PolarHBondContact O-N 3.02Å; L114-M117 PolarHBondContact O-N 2.98Å; M117-D120 WeakPolarHBondContact O-CB 3.41Å; M117-D120 PolarHBondContact O-N 2.83Å; M117-D121 PolarHBondContact O-N 3.38Å; M117-A143 HydrophobicContact CB-CB 4.19Å; M117-F147 HydrophobicContact SD-CE2 4.44Å; M117-R166 HydrophobicContact SD-CB 4.49Å; M117-R166 HydrophobicContact SD-CG 4.2Å; M117-R166 PolarHBondContact SD-NH1 2.85Å; M117-F169 HydrophobicContact CE-CD1 3.61Å; M117-F169 HydrophobicContact CE-CE1 3.58Å
118	A	93.2	Very high	84.1	Confident	28 Å²	28	51 Å²	51	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-69.4	-34.3	175.3	0	0	0	0	0	112.8	Y80 L85 L114 T115 N116 D120 D121	Y80-A118 HydrophobicContact CE2-CB 4.04Å; L85-A118 HydrophobicContact CD1-CB 3.65Å; L85-A118 HydrophobicContact CD2-CB 4.06Å; L114-A118 WeakPolarHBondContact O-CB 3.26Å; L114-A118 PolarHBondContact O-N 3.46Å; T115-A118 PolarHBondContact O-N 3.47Å; N116-A118 VanDerWaalsContact C-N 3.32Å; N116-A118 PolarHBondContact O-N 2.9Å; A118-D120 PolarHBondContact O-N 2.81Å; A118-D121 PolarHBondContact O-N 3.36Å
119	L	92	Very high	82.8	Confident	44 Å²	44	54.2 Å²	54.2	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-30.1	172.5	-77.1	166.6	0	0	0	112.2	L85 T115 N116 D121 H139	L85-L119 HydrophobicContact CB-CD1 4.45Å; L85-L119 HydrophobicContact CB-CD2 3.79Å; L85-L119 HydrophobicContact CB-CG 3.9Å; L85-L119 HydrophobicContact CD1-CB 4.48Å; L85-L119 HydrophobicContact CD1-CD2 3.85Å; L85-L119 HydrophobicContact CD1-CG 3.79Å; L85-L119 HydrophobicContact CG-CD2 4.46Å; T115-L119 WeakPolarHBondContact O-CG 3.34Å; T115-L119 PolarHBondContact O-N 2.76Å; N116-L119 PolarHBondContact O-N 2.79Å; L119-D121 VanDerWaalsContact C-N 3.3Å; L119-H139 HydrophobicContact CB-CB 4.1Å
120	D	88.7	Confident	81.5	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-75.8	-18.4	176.9	-164.4	40.5	0	0	0	113	N116 M117 A118 R132 H139 A140 R173	N116-D120 PolarHBondContact O-N 3.38Å; N116-D120 VanDerWaalsContact O-N 3.11Å; M117-D120 WeakPolarHBondContact O-CB 3.41Å; M117-D120 PolarHBondContact O-N 2.83Å; A118-D120 PolarHBondContact O-N 2.81Å; D120-R132 PolarHBondContact O-NH1 3.3Å; D120-H139 HydrophobicContact CB-CB 3.69Å; D120-A140 WeakPolarHBondContact OD2-CB 3.46Å; D120-R173 PolarHBondContact O-NH2 2.73Å; D120-R173 IonicContact OD1-CZ 3.2Å; D120-R173 IonicContact OD1-NE 2.97Å; D120-R173 IonicContact OD1-NH2 2.72Å; D120-R173 PolarHBondContact OD1-NH2 3.28Å; D120-R173 WeakPolarHBondContact OD2-CD 3.22Å; D120-R173 IonicContact OD2-CZ 3.36Å; D120-R173 IonicContact OD2-NE 2.79Å; D120-R173 PolarHBondContact OD2-NE 2.97Å; D120-R173 IonicContact OD2-NH1 2.69Å; D120-R173 PolarHBondContact OD2-NH1 3.18Å; D120-R173 IonicContact OD2-NH2 2.89Å; D120-R173 PolarHBondContact OD2-NH2 3.12Å
121	D	78.9	Confident	80.1	Confident	82 Å²	82	60.1 Å²	60.1	44%	0.439	35%	0.353	S	S	.	.			trans	-104.5	112.3	178.3	-78.1	-10.4	0	0	0	111.1	M117 A118 L119 R173	M117-D121 PolarHBondContact O-N 3.38Å; A118-D121 PolarHBondContact O-N 3.36Å; L119-D121 VanDerWaalsContact C-N 3.3Å; D121-R173 IonicContact OD1-NH1 3.14Å; D121-R173 PolarHBondContact OD1-NH1 2.71Å
122	S	65.2	Low	78.5	Confident	50 Å²	50	61.5 Å²	61.5	35%	0.35	36%	0.358	S	S	.	.			trans	-90.1	110.5	172.5	-68.5	0	0	0	0	107.8	L124 Q125 G126 R132	S122-L124 PolarHBondContact O-N 3.48Å; S122-Q125 PolarHBondContact O-N 3.28Å; S122-G126 PolarHBondContact O-N 3.08Å; S122-R132 VanDerWaalsContact CB-NH1 3.35Å; S122-R132 PolarHBondContact OG-NH1 3.27Å
123	A	57.9	Low	77.1	Confident	95 Å²	95	59 Å²	59	79%	0.785	35%	0.35	S	S	*	.	H	α-helix	trans	-48	-37.9	-174.9	0	0	0	0	0	114.2	F127	A123-F127 PolarHBondContact O-N 3.26Å
124	L	57.4	Low	75.5	Confident	138 Å²	138	64.1 Å²	64.1	72%	0.723	38%	0.377	S	S	*	.	H	α-helix	trans	-65.5	-37.6	176.8	-83.2	154.4	0	0	0	113.1	S122 F128	S122-L124 PolarHBondContact O-N 3.48Å; L124-F128 WeakPolarHBondContact O-CD2 3.44Å
125	Q	59.7	Low	74.7	Confident	58 Å²	58	69.2 Å²	69.2	27%	0.271	40%	0.396	S	S	.	.	H	α-helix	trans	-79.3	-36.1	-175.3	-67.3	-171.5	-29.1	0	0	112.3	S122 F127 F128 G129 V130 R135	S122-Q125 PolarHBondContact O-N 3.28Å; Q125-F127 PolarHBondContact O-N 3.45Å; Q125-F128 PolarHBondContact O-N 2.79Å; Q125-F128 VanDerWaalsContact O-N 3.16Å; Q125-G129 PolarHBondContact O-N 3.27Å; Q125-V130 PolarHBondContact O-N 3.43Å; Q125-R135 VanDerWaalsContact NE2-NH1 3.14Å
126	G	62.1	Low	74.1	Confident	62 Å²	62	73.8 Å²	73.8	64%	0.639	42%	0.421	S	S	*	.	H	α-helix	trans	-60.7	-34.6	173.5	0	0	0	0	0	112.4	S122 F128 G129	S122-G126 PolarHBondContact O-N 3.08Å; G126-F128 VanDerWaalsContact C-N 3.32Å; G126-F128 PolarHBondContact O-N 3.11Å; G126-G129 PolarHBondContact O-N 3.34Å
127	F	62.1	Low	73.8	Confident	173 Å²	173	73.4 Å²	73.4	76%	0.759	42%	0.419	S	S	*	.	H	α-helix	trans	-64.4	-33.8	176.3	-172.1	-95.7	0	0	0	113.2	A123 Q125 G129	A123-F127 PolarHBondContact O-N 3.26Å; Q125-F127 PolarHBondContact O-N 3.45Å; F127-G129 VanDerWaalsContact C-N 3.35Å
128	F	71.1	Confident	73.7	Confident	150 Å²	150	77.7 Å²	77.7	66%	0.658	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	2.6	179.1	-70	-69.9	0	0	0	113.8	L124 Q125 G126 V130	L124-F128 WeakPolarHBondContact O-CD2 3.44Å; Q125-F128 PolarHBondContact O-N 2.79Å; Q125-F128 VanDerWaalsContact O-N 3.16Å; G126-F128 VanDerWaalsContact C-N 3.32Å; G126-F128 PolarHBondContact O-N 3.11Å; F128-V130 HydrophobicContact CB-CG2 3.93Å; F128-V130 PolarHBondContact O-N 2.97Å
129	G	71.3	Confident	73.7	Confident	68 Å²	68	78.8 Å²	78.8	70%	0.701	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	23.4	-179.5	0	0	0	0	0	113.9	Q125 G126 F127 D131	Q125-G129 PolarHBondContact O-N 3.27Å; G126-G129 PolarHBondContact O-N 3.34Å; F127-G129 VanDerWaalsContact C-N 3.35Å; G129-D131 PolarHBondContact O-N 2.9Å
130	V	70	Confident	73.9	Confident	82 Å²	82	76.7 Å²	76.7	50%	0.497	43%	0.428	S	S	.	.			trans	-75.1	119.8	178.9	-179.3	0	0	0	0	108.5	Q125 F128 R132	Q125-V130 PolarHBondContact O-N 3.43Å; F128-V130 HydrophobicContact CB-CG2 3.93Å; F128-V130 PolarHBondContact O-N 2.97Å; V130-R132 PolarHBondContact O-N 3.2Å
131	D	68.4	Low	74.2	Confident	110 Å²	110	81.6 Å²	81.6	59%	0.588	45%	0.446	S	S	*	.			trans	-63.3	132.5	172.6	-169.1	3.5	0	0	0	109.6	G129 S133	G129-D131 PolarHBondContact O-N 2.9Å; D131-S133 VanDerWaalsContact OD1-CB 3.31Å; D131-S133 WeakPolarHBondContact OD1-CB 3.36Å; D131-S133 PolarHBondContact OD1-N 3.27Å; D131-S133 PolarHBondContact OD1-OG 3.39Å; D131-S133 PolarHBondContact OD2-OG 3.01Å
132	R	66.4	Low	75	Confident	37 Å²	37	79.2 Å²	79.2	14%	0.14	44%	0.437	C	S	.	.			trans	-105.8	5.7	179.1	-64.8	-168.1	69.3	169.3	13.7	112.4	D120 S122 V130 D134 R135	D120-R132 PolarHBondContact O-NH1 3.3Å; S122-R132 VanDerWaalsContact CB-NH1 3.35Å; S122-R132 PolarHBondContact OG-NH1 3.27Å; V130-R132 PolarHBondContact O-N 3.2Å; R132-D134 PolarHBondContact O-N 3.25Å; R132-D134 VanDerWaalsContact O-N 3.13Å; R132-R135 PolarHBondContact O-N 3.43Å; R132-R135 VanDerWaalsContact O-N 3.08Å
133	S	68	Low	76.6	Confident	13 Å²	13	76.9 Å²	76.9	9%	0.091	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.9	-176	56.3	0	0	0	0	113.1	D131 Y177	D131-S133 VanDerWaalsContact OD1-CB 3.31Å; D131-S133 WeakPolarHBondContact OD1-CB 3.36Å; D131-S133 PolarHBondContact OD1-N 3.27Å; D131-S133 PolarHBondContact OD1-OG 3.39Å; D131-S133 PolarHBondContact OD2-OG 3.01Å; S133-Y177 WeakPolarHBondContact O-CA 3.47Å; S133-Y177 WeakPolarHBondContact O-CB 3.45Å; S133-Y177 WeakPolarHBondContact O-CD2 3.38Å
134	D	65.7	Low	78.4	Confident	106 Å²	106	74.7 Å²	74.7	57%	0.567	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.5	179.8	70.7	-28.7	0	0	0	115.1	R132	R132-D134 PolarHBondContact O-N 3.25Å; R132-D134 VanDerWaalsContact O-N 3.13Å
135	R	80.5	Confident	80.3	Confident	118 Å²	118	70.5 Å²	70.5	45%	0.445	38%	0.376	S	S	.	.	S	Bend	trans	-89	145.8	179.8	-59.7	-173.7	70.5	-179.9	5.7	110.9	Q125 R132 P137 Y177	Q125-R135 VanDerWaalsContact NE2-NH1 3.14Å; R132-R135 PolarHBondContact O-N 3.43Å; R132-R135 VanDerWaalsContact O-N 3.08Å; R135-P137 WeakPolarHBondContact O-CD 3.13Å; R135-Y177 WeakPolarHBondContact O-CD2 3.37Å
136	D	85.6	Confident	82.2	Confident	97 Å²	97	68.2 Å²	68.2	52%	0.519	37%	0.366	S	S	.	.			trans	-52.6	111.8	179.9	-174.5	-3.9	0	0	0	111.4	Q138	D136-Q138 PolarHBondContact O-N 3.25Å; D136-Q138 PolarHBondContact OD1-N 2.97Å
137	P	89.9	Confident	83.9	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.019	34%	0.335	C	S	.	.			trans	-87.6	44.5	-171.8	37.5	-37.4	0	0	0	110.8	R135 H139 A140 R141 L174 Y177	R135-P137 WeakPolarHBondContact O-CD 3.13Å; P137-H139 PolarHBondContact O-N 2.69Å; P137-A140 HydrophobicContact CB-CB 3.82Å; P137-A140 WeakPolarHBondContact O-CB 3.34Å; P137-A140 PolarHBondContact O-N 2.84Å; P137-A140 VanDerWaalsContact O-N 3.12Å; P137-R141 PolarHBondContact O-N 3.35Å; P137-L174 HydrophobicContact CB-CD2 3.85Å; P137-L174 HydrophobicContact CG-CD2 3.64Å; P137-Y177 HydrophobicContact CG-CD1 3.79Å; P137-Y177 HydrophobicContact CG-CD2 4.27Å; P137-Y177 HydrophobicContact CG-CE1 4.37Å; P137-Y177 HydrophobicContact CG-CG 3.72Å
138	Q	93.8	Very high	85.6	Confident	110 Å²	110	57.6 Å²	57.6	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-54.3	-41.3	-176.4	70	173.8	-0.4	0	0	112	D136 R141 A142	D136-Q138 PolarHBondContact O-N 3.25Å; D136-Q138 PolarHBondContact OD1-N 2.97Å; Q138-R141 PolarHBondContact O-N 3.16Å; Q138-A142 PolarHBondContact O-N 3.24Å
139	H	94.2	Very high	86.8	Confident	52 Å²	52	55.8 Å²	55.8	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-77.2	-35.7	-178.6	-68.5	-57	0	0	0	111.3	N116 L119 D120 P137 R141 A142 A143	N116-H139 WeakPolarHBondContact O-CB 3.23Å; L119-H139 HydrophobicContact CB-CB 4.1Å; D120-H139 HydrophobicContact CB-CB 3.69Å; P137-H139 PolarHBondContact O-N 2.69Å; H139-R141 VanDerWaalsContact C-N 3.33Å; H139-R141 PolarHBondContact O-N 3.41Å; H139-A142 PolarHBondContact O-N 3.27Å; H139-A143 WeakPolarHBondContact O-CB 3Å; H139-A143 PolarHBondContact O-N 2.94Å
140	A	94.3	Very high	88.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-42.5	170.1	0	0	0	0	0	111.8	D120 P137 A143 F144 L170 L174	D120-A140 WeakPolarHBondContact OD2-CB 3.46Å; P137-A140 HydrophobicContact CB-CB 3.82Å; P137-A140 WeakPolarHBondContact O-CB 3.34Å; P137-A140 PolarHBondContact O-N 2.84Å; P137-A140 VanDerWaalsContact O-N 3.12Å; A140-A143 PolarHBondContact O-N 3.04Å; A140-F144 WeakPolarHBondContact O-CB 3.43Å; A140-F144 PolarHBondContact O-N 3.26Å; A140-L170 HydrophobicContact CB-CD2 3.88Å; A140-L174 HydrophobicContact CB-CD2 4.11Å; A140-L174 HydrophobicContact CB-CG 4.5Å
141	R	95.6	Very high	89.5	Confident	110 Å²	110	50.3 Å²	50.3	42%	0.415	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-40.1	178.1	-156.6	-175.1	-65.5	128.5	1.4	111.3	P137 Q138 H139 F144 S145 L174	P137-R141 PolarHBondContact O-N 3.35Å; Q138-R141 PolarHBondContact O-N 3.16Å; H139-R141 VanDerWaalsContact C-N 3.33Å; H139-R141 PolarHBondContact O-N 3.41Å; R141-F144 PolarHBondContact O-N 3.34Å; R141-S145 PolarHBondContact O-N 3.37Å; R141-L174 HydrophobicContact CB-CD2 4.04Å; R141-L174 HydrophobicContact CG-CD2 4.43Å
142	A	97	Very high	90.9	Very high	32 Å²	32	54.8 Å²	54.8	26%	0.264	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-47.1	172.9	0	0	0	0	0	111.8	N116 Q138 H139 F144 S145 D146	N116-A142 HydrophobicContact CB-CB 4.24Å; Q138-A142 PolarHBondContact O-N 3.24Å; H139-A142 PolarHBondContact O-N 3.27Å; A142-F144 VanDerWaalsContact C-N 3.31Å; A142-F144 PolarHBondContact O-N 2.64Å; A142-S145 WeakPolarHBondContact O-CB 3.12Å; A142-S145 PolarHBondContact O-N 3.46Å; A142-S145 VanDerWaalsContact O-N 3.13Å; A142-D146 VanDerWaalsContact O-CG 3.31Å; A142-D146 PolarHBondContact O-N 2.96Å
143	A	97.6	Very high	92.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-43.3	175.7	0	0	0	0	0	111.7	G113 N116 M117 H139 A140 S145 D146 F147 L170	G113-A143 WeakPolarHBondContact O-CB 3.43Å; N116-A143 HydrophobicContact CB-CB 3.71Å; M117-A143 HydrophobicContact CB-CB 4.19Å; H139-A143 WeakPolarHBondContact O-CB 3Å; H139-A143 PolarHBondContact O-N 2.94Å; A140-A143 PolarHBondContact O-N 3.04Å; A143-S145 VanDerWaalsContact C-N 3.33Å; A143-S145 PolarHBondContact O-N 3.5Å; A143-D146 PolarHBondContact O-N 3.1Å; A143-F147 HydrophobicContact CB-CD2 4.4Å; A143-F147 HydrophobicContact CB-CE2 4.25Å; A143-F147 WeakPolarHBondContact O-CD2 3.44Å; A143-F147 PolarHBondContact O-N 3.18Å; A143-L170 HydrophobicContact CB-CD1 3.74Å; A143-L170 HydrophobicContact CB-CD2 4.26Å
144	F	96.8	Very high	93.7	Very high	50 Å²	50	58.5 Å²	58.5	22%	0.219	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-42.8	176.5	-174.3	-86.1	0	0	0	111.3	A140 R141 A142 S148 L167 L170 K171 L174	A140-F144 WeakPolarHBondContact O-CB 3.43Å; A140-F144 PolarHBondContact O-N 3.26Å; R141-F144 PolarHBondContact O-N 3.34Å; A142-F144 VanDerWaalsContact C-N 3.31Å; A142-F144 PolarHBondContact O-N 2.64Å; F144-S148 WeakPolarHBondContact CE1-OG 3.37Å; F144-S148 WeakPolarHBondContact O-CB 3.47Å; F144-S148 PolarHBondContact O-N 3.3Å; F144-S148 PolarHBondContact O-OG 3.1Å; F144-L167 HydrophobicContact CD1-CD2 4.44Å; F144-L167 HydrophobicContact CD2-CD2 3.55Å; F144-L167 HydrophobicContact CE2-CB 4.46Å; F144-L167 HydrophobicContact CE2-CD2 3.71Å; F144-L167 HydrophobicContact CG-CD2 3.94Å; F144-L167 HydrophobicContact CZ-CD2 4.23Å; F144-L167 WeakPolarHBondContact O-CD2 3.48Å; F144-L170 HydrophobicContact CB-CB 4.36Å; F144-L170 HydrophobicContact CB-CD1 4.39Å; F144-L170 HydrophobicContact CD2-CB 3.98Å; F144-K171 HydrophobicContact CE2-CB 4Å; F144-K171 HydrophobicContact CE2-CG 4.23Å; F144-L174 HydrophobicContact CB-CD1 3.97Å; F144-L174 HydrophobicContact CD2-CD1 4.24Å; F144-L174 HydrophobicContact CG-CD1 4.08Å
145	S	97.3	Very high	95.3	Very high	50 Å²	50	57.2 Å²	57.2	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-45.5	174.7	-168.3	0	0	0	0	111.8	R141 A142 A143 S148 K149	R141-S145 PolarHBondContact O-N 3.37Å; A142-S145 WeakPolarHBondContact O-CB 3.12Å; A142-S145 PolarHBondContact O-N 3.46Å; A142-S145 VanDerWaalsContact O-N 3.13Å; A143-S145 VanDerWaalsContact C-N 3.33Å; A143-S145 PolarHBondContact O-N 3.5Å; S145-S148 PolarHBondContact O-N 2.82Å; S145-K149 VanDerWaalsContact O-CG 3.31Å; S145-K149 WeakPolarHBondContact O-CG 3.4Å; S145-K149 PolarHBondContact O-N 3.11Å; S145-K149 PolarHBondContact OG-NZ 3.29Å
146	D	98.2	Very high	96.1	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.053	30%	0.3	C	S	.	.	H	α-helix	trans	-69.5	-46.6	-176.2	-65.9	-30.3	0	0	0	112.2	R112 N116 A142 A143 S148 K149 L150	R112-D146 HydrophobicContact CB-CB 4.36Å; R112-D146 VanDerWaalsContact CD-CG 3.43Å; R112-D146 WeakPolarHBondContact CD-OD1 3.33Å; R112-D146 WeakPolarHBondContact CD-OD2 3.29Å; R112-D146 HydrophobicContact CG-CB 4.43Å; R112-D146 VanDerWaalsContact CG-OD2 3.26Å; R112-D146 WeakPolarHBondContact CG-OD2 3.35Å; R112-D146 IonicContact NE-OD1 3.27Å; R112-D146 PolarHBondContact NE-OD1 3.33Å; R112-D146 IonicContact NE-OD2 2.73Å; R112-D146 PolarHBondContact NE-OD2 3.47Å; N116-D146 PolarHBondContact ND2-OD2 3.42Å; A142-D146 VanDerWaalsContact O-CG 3.31Å; A142-D146 PolarHBondContact O-N 2.96Å; A143-D146 PolarHBondContact O-N 3.1Å; D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.32Å; D146-K149 PolarHBondContact O-N 3.37Å; D146-K149 IonicContact OD1-NZ 3.71Å; D146-L150 PolarHBondContact O-N 3.05Å
147	F	98.5	Very high	96.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-36	173.6	-68.3	-52.2	0	0	0	112	Y110 L114 M117 A143 K149 L150 V151 A163 R166 L167 L170	Y110-F147 HydrophobicContact CD2-CD1 4.22Å; Y110-F147 AromaticContact CD2-CE1 3.65Å; Y110-F147 HydrophobicContact CD2-CE1 3.65Å; Y110-F147 AromaticContact CE2-CE1 3.88Å; Y110-F147 HydrophobicContact CE2-CE1 3.88Å; L114-F147 HydrophobicContact CD2-CZ 4.19Å; L114-F147 HydrophobicContact CG-CZ 4.32Å; L114-F147 VanDerWaalsContact N-CZ 3.33Å; M117-F147 HydrophobicContact SD-CE2 4.44Å; A143-F147 HydrophobicContact CB-CD2 4.4Å; A143-F147 HydrophobicContact CB-CE2 4.25Å; A143-F147 WeakPolarHBondContact O-CD2 3.44Å; A143-F147 PolarHBondContact O-N 3.18Å; F147-K149 VanDerWaalsContact C-N 3.34Å; F147-K149 PolarHBondContact O-N 2.93Å; F147-L150 PolarHBondContact O-N 2.74Å; F147-V151 WeakPolarHBondContact O-CG2 3.32Å; F147-V151 PolarHBondContact O-N 2.83Å; F147-A163 HydrophobicContact CB-CB 4.32Å; F147-A163 HydrophobicContact CD1-CB 3.68Å; F147-A163 HydrophobicContact CE1-CB 4.38Å; F147-A163 HydrophobicContact CG-CB 4.28Å; F147-R166 HydrophobicContact CD2-CB 4.1Å; F147-R166 HydrophobicContact CE2-CB 3.9Å; F147-R166 HydrophobicContact CE2-CG 4.44Å; F147-R166 HydrophobicContact CZ-CB 4.32Å; F147-R166 HydrophobicContact CZ-CG 4.47Å; F147-L167 HydrophobicContact CB-CD1 4.28Å; F147-L167 HydrophobicContact CB-CD2 3.68Å; F147-L167 HydrophobicContact CB-CG 3.74Å; F147-L170 HydrophobicContact CD2-CD1 3.62Å; F147-L170 HydrophobicContact CE2-CD1 3.9Å
148	S	97.4	Very high	97	Very high	12 Å²	12	62.3 Å²	62.3	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-40.6	176	-68.1	0	0	0	0	111.8	F144 S145 D146 R152 L167	F144-S148 WeakPolarHBondContact CE1-OG 3.37Å; F144-S148 WeakPolarHBondContact O-CB 3.47Å; F144-S148 PolarHBondContact O-N 3.3Å; F144-S148 PolarHBondContact O-OG 3.1Å; S145-S148 PolarHBondContact O-N 2.82Å; D146-S148 VanDerWaalsContact C-N 3.31Å; D146-S148 PolarHBondContact O-N 3.32Å; S148-R152 VanDerWaalsContact O-CB 3.31Å; S148-R152 WeakPolarHBondContact O-CB 3.34Å; S148-R152 WeakPolarHBondContact O-CG 3.4Å; S148-R152 PolarHBondContact O-N 2.86Å; S148-R152 VanDerWaalsContact O-N 3.08Å; S148-L167 WeakPolarHBondContact OG-CD2 3.45Å
149	K	97.5	Very high	97.3	Very high	112 Å²	112	59.4 Å²	59.4	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-44.1	174.9	-71.6	166	-170	161.7	0	111.3	S145 D146 F147 G153	S145-K149 VanDerWaalsContact O-CG 3.31Å; S145-K149 WeakPolarHBondContact O-CG 3.4Å; S145-K149 PolarHBondContact O-N 3.11Å; S145-K149 PolarHBondContact OG-NZ 3.29Å; D146-K149 PolarHBondContact O-N 3.37Å; D146-K149 IonicContact OD1-NZ 3.71Å; F147-K149 VanDerWaalsContact C-N 3.34Å; F147-K149 PolarHBondContact O-N 2.93Å; K149-G153 PolarHBondContact O-N 3.05Å
150	L	98.1	Very high	97.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-54.6	176.4	170.6	63.5	0	0	0	111.9	D106 M109 Y110 D146 F147 R152 G153 Y154 A163	D106-L150 HydrophobicContact CB-CD1 3.77Å; D106-L150 WeakPolarHBondContact O-CD1 3.42Å; M109-L150 HydrophobicContact CB-CB 4.17Å; M109-L150 HydrophobicContact CB-CD1 4.33Å; Y110-L150 HydrophobicContact CD2-CD2 3.97Å; Y110-L150 HydrophobicContact CG-CD2 4.28Å; D146-L150 PolarHBondContact O-N 3.05Å; F147-L150 PolarHBondContact O-N 2.74Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.3Å; L150-G153 PolarHBondContact O-N 2.93Å; L150-Y154 HydrophobicContact CD1-CD2 4.26Å; L150-Y154 WeakPolarHBondContact O-CA 3.37Å; L150-Y154 PolarHBondContact O-N 3.31Å; L150-A163 HydrophobicContact CD2-CB 3.72Å
151	V	98.1	Very high	97.6	Very high	34 Å²	34	62.2 Å²	62.2	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-37.3	-175.8	173.8	0	0	0	0	111.5	F147 T160 A163 L167	F147-V151 WeakPolarHBondContact O-CG2 3.32Å; F147-V151 PolarHBondContact O-N 2.83Å; V151-T160 HydrophobicContact CB-CG2 4.45Å; V151-T160 HydrophobicContact CG1-CG2 4.12Å; V151-T160 HydrophobicContact CG2-CG2 4.18Å; V151-A163 HydrophobicContact CG2-CB 3.84Å; V151-L167 HydrophobicContact CB-CD1 4.3Å; V151-L167 HydrophobicContact CG2-CD1 3.85Å
152	R	97.8	Very high	97.8	Very high	205 Å²	205	59.6 Å²	59.6	77%	0.774	31%	0.313	S	S	*	.	H	α-helix	trans	-73.8	-40.4	177	-69.7	174.9	-171	171	3.2	112.9	S148 L150	S148-R152 VanDerWaalsContact O-CB 3.31Å; S148-R152 WeakPolarHBondContact O-CB 3.34Å; S148-R152 WeakPolarHBondContact O-CG 3.4Å; S148-R152 PolarHBondContact O-N 2.86Å; S148-R152 VanDerWaalsContact O-N 3.08Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.3Å
153	G	97.2	Very high	97.8	Very high	47 Å²	47	58 Å²	58	49%	0.485	30%	0.3	S	S	.	.	H	α-helix	trans	-81.9	-33.9	-175.6	0	0	0	0	0	113.9	K149 L150	K149-G153 PolarHBondContact O-N 3.05Å; L150-G153 PolarHBondContact O-N 2.93Å
154	Y	97.8	Very high	97.9	Very high	81 Å²	81	60.9 Å²	60.9	32%	0.318	32%	0.318	S	S	.	.			trans	-133	61.7	-174.2	-54.4	-87.8	0	0	0	111.2	I105 D106 M109 L150 N156 S157 T160	I105-Y154 HydrophobicContact CG2-CE1 3.73Å; I105-Y154 HydrophobicContact CG2-CE2 4.14Å; I105-Y154 VanDerWaalsContact CG2-CZ 3.4Å; I105-Y154 WeakPolarHBondContact CG2-OH 3.36Å; D106-Y154 HydrophobicContact CB-CD1 4.25Å; D106-Y154 HydrophobicContact CB-CD2 4.23Å; D106-Y154 HydrophobicContact CB-CG 3.93Å; M109-Y154 HydrophobicContact CE-CE2 3.74Å; M109-Y154 HydrophobicContact SD-CD2 4.09Å; M109-Y154 HydrophobicContact SD-CE2 3.67Å; L150-Y154 HydrophobicContact CD1-CD2 4.26Å; L150-Y154 WeakPolarHBondContact O-CA 3.37Å; L150-Y154 PolarHBondContact O-N 3.31Å; Y154-N156 PolarHBondContact O-N 2.9Å; Y154-S157 VanDerWaalsContact O-CB 3.24Å; Y154-S157 WeakPolarHBondContact O-CB 3.37Å; Y154-S157 PolarHBondContact O-N 3.24Å; Y154-T160 PolarHBondContact O-OG1 2.96Å
155	P	97.7	Very high	97.9	Very high	78 Å²	78	65.4 Å²	65.4	51%	0.506	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.6	-175.7	24.3	-34.9	0	0	0	113.9	T160	P155-T160 WeakPolarHBondContact O-CG2 3.15Å
156	N	97.5	Very high	97.9	Very high	160 Å²	160	66.1 Å²	66.1	86%	0.856	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	5.4	179.2	-58.4	-33	0	0	0	113.6	Y154	Y154-N156 PolarHBondContact O-N 2.9Å
157	S	97.5	Very high	97.9	Very high	14 Å²	14	66.7 Å²	66.7	10%	0.098	34%	0.335	C	S	.	.	S	Bend	trans	-62.9	144.6	175.6	171.9	0	0	0	0	111.1	D106 Y154 Y159 T160	D106-S157 VanDerWaalsContact OD2-CB 3.22Å; D106-S157 WeakPolarHBondContact OD2-CB 3.23Å; D106-S157 PolarHBondContact OD2-OG 3.14Å; Y154-S157 VanDerWaalsContact O-CB 3.24Å; Y154-S157 WeakPolarHBondContact O-CB 3.37Å; Y154-S157 PolarHBondContact O-N 3.24Å; S157-Y159 PolarHBondContact O-N 3.25Å; S157-Y159 VanDerWaalsContact O-N 3.09Å; S157-Y159 VanDerWaalsContact OG-CD2 3.23Å; S157-Y159 WeakPolarHBondContact OG-CD2 3.49Å; S157-Y159 PolarHBondContact OG-N 3.37Å; S157-Y159 VanDerWaalsContact OG-N 3.1Å; S157-T160 WeakPolarHBondContact O-CB 3.34Å; S157-T160 PolarHBondContact O-N 3.16Å; S157-T160 VanDerWaalsContact O-N 3.1Å
158	Q	97.9	Very high	97.8	Very high	151 Å²	151	71.6 Å²	71.6	71%	0.706	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-21.9	171.6	64.5	-178.4	-11	0	0	113.2
159	Y	98.3	Very high	97.6	Very high	49 Å²	49	75.8 Å²	75.8	19%	0.192	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-14.4	-179.1	-51.6	-68.1	0	0	0	113.6	D106 Y107 Y110 S157 T161 D162 A163	D106-Y159 HydrophobicContact CB-CD2 4.49Å; Y107-Y159 VanDerWaalsContact CB-CE2 3.47Å; Y107-Y159 HydrophobicContact CD2-CE1 4.01Å; Y107-Y159 HydrophobicContact CD2-CE2 4.2Å; Y107-Y159 AromaticContact CD2-CZ 3.59Å; Y107-Y159 VanDerWaalsContact CD2-OH 3.3Å; Y107-Y159 WeakPolarHBondContact CD2-OH 3.3Å; Y107-Y159 HydrophobicContact CG-CE2 4.33Å; Y110-Y159 AromaticContact CD1-CD1 3.59Å; Y110-Y159 HydrophobicContact CD1-CD1 3.59Å; Y110-Y159 HydrophobicContact CD1-CE1 4.2Å; Y110-Y159 AromaticContact CD1-CG 3.97Å; Y110-Y159 HydrophobicContact CD1-CG 3.97Å; Y110-Y159 HydrophobicContact CD2-CG 4.47Å; Y110-Y159 AromaticContact CE1-CD1 3.91Å; Y110-Y159 HydrophobicContact CE1-CD1 3.91Å; Y110-Y159 AromaticContact CG-CD1 3.99Å; Y110-Y159 HydrophobicContact CG-CD1 3.99Å; Y110-Y159 AromaticContact CG-CG 3.89Å; Y110-Y159 HydrophobicContact CG-CG 3.89Å; S157-Y159 PolarHBondContact O-N 3.25Å; S157-Y159 VanDerWaalsContact O-N 3.09Å; S157-Y159 VanDerWaalsContact OG-CD2 3.23Å; S157-Y159 WeakPolarHBondContact OG-CD2 3.49Å; S157-Y159 PolarHBondContact OG-N 3.37Å; S157-Y159 VanDerWaalsContact OG-N 3.1Å; Y159-T161 VanDerWaalsContact C-N 3.35Å; Y159-T161 PolarHBondContact O-N 3.28Å; Y159-D162 PolarHBondContact O-N 2.88Å; Y159-A163 WeakPolarHBondContact O-CB 3.38Å; Y159-A163 PolarHBondContact O-N 3.25Å
160	T	98.4	Very high	97.5	Very high	13 Å²	13	70.4 Å²	70.4	8%	0.08	36%	0.359	C	S	.	.	H	α-helix	trans	-64	-36.8	-172	-74.8	0	0	0	0	113.1	V151 Y154 P155 S157 A163 T164	V151-T160 HydrophobicContact CB-CG2 4.45Å; V151-T160 HydrophobicContact CG1-CG2 4.12Å; V151-T160 HydrophobicContact CG2-CG2 4.18Å; Y154-T160 PolarHBondContact O-OG1 2.96Å; P155-T160 WeakPolarHBondContact O-CG2 3.15Å; S157-T160 WeakPolarHBondContact O-CB 3.34Å; S157-T160 PolarHBondContact O-N 3.16Å; S157-T160 VanDerWaalsContact O-N 3.1Å; T160-A163 PolarHBondContact O-N 3.3Å; T160-T164 WeakPolarHBondContact O-CB 3.38Å; T160-T164 PolarHBondContact O-N 2.9Å; T160-T164 PolarHBondContact O-OG1 3.29Å
161	T	98.3	Very high	97.4	Very high	98 Å²	98	72.5 Å²	72.5	60%	0.601	37%	0.368	S	S	*	.	H	α-helix	trans	-62.3	-46.1	178.4	-57.2	0	0	0	0	111.8	Y159 K165	Y159-T161 VanDerWaalsContact C-N 3.35Å; Y159-T161 PolarHBondContact O-N 3.28Å; T161-K165 PolarHBondContact O-N 3Å
162	D	98.5	Very high	97.2	Very high	55 Å²	55	72.9 Å²	72.9	29%	0.294	37%	0.369	S	S	.	.	H	α-helix	trans	-71.1	-43.5	178.3	-170.2	71.2	0	0	0	111.4	Y110 Y159 T164 K165 R166	Y110-D162 HydrophobicContact CE2-CB 4.35Å; Y110-D162 PolarHBondContact OH-OD2 2.66Å; Y159-D162 PolarHBondContact O-N 2.88Å; D162-T164 VanDerWaalsContact C-N 3.26Å; D162-T164 PolarHBondContact O-N 3.16Å; D162-K165 WeakPolarHBondContact O-CB 3.42Å; D162-K165 PolarHBondContact O-N 3.33Å; D162-K165 VanDerWaalsContact O-N 3.1Å; D162-R166 WeakPolarHBondContact O-CG 3.45Å; D162-R166 PolarHBondContact O-N 3.29Å; D162-R166 IonicContact OD2-CZ 2.97Å; D162-R166 IonicContact OD2-NE 3.47Å; D162-R166 PolarHBondContact OD2-NE 2.7Å; D162-R166 IonicContact OD2-NH2 3.39Å; D162-R166 PolarHBondContact OD2-NH2 2.85Å; D162-R166 VanDerWaalsContact OD2-NH2 3.14Å
163	A	98.4	Very high	97	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-56.4	-39.9	175.4	0	0	0	0	0	112.3	Y110 F147 L150 V151 Y159 T160 R166 L167	Y110-A163 HydrophobicContact CD2-CB 4.32Å; F147-A163 HydrophobicContact CB-CB 4.32Å; F147-A163 HydrophobicContact CD1-CB 3.68Å; F147-A163 HydrophobicContact CE1-CB 4.38Å; F147-A163 HydrophobicContact CG-CB 4.28Å; L150-A163 HydrophobicContact CD2-CB 3.72Å; V151-A163 HydrophobicContact CG2-CB 3.84Å; Y159-A163 WeakPolarHBondContact O-CB 3.38Å; Y159-A163 PolarHBondContact O-N 3.25Å; T160-A163 PolarHBondContact O-N 3.3Å; A163-R166 PolarHBondContact O-N 3.1Å; A163-L167 WeakPolarHBondContact O-CG 3.48Å; A163-L167 PolarHBondContact O-N 3.47Å
164	T	97.9	Very high	96.9	Very high	60 Å²	60	62.3 Å²	62.3	37%	0.368	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-41.9	176.8	-58	0	0	0	0	111.8	T160 D162 R166 L167 V168	T160-T164 WeakPolarHBondContact O-CB 3.38Å; T160-T164 PolarHBondContact O-N 2.9Å; T160-T164 PolarHBondContact O-OG1 3.29Å; D162-T164 VanDerWaalsContact C-N 3.26Å; D162-T164 PolarHBondContact O-N 3.16Å; T164-R166 VanDerWaalsContact C-N 3.33Å; T164-R166 PolarHBondContact O-N 2.9Å; T164-L167 WeakPolarHBondContact O-CB 3.46Å; T164-L167 PolarHBondContact O-N 3.44Å; T164-V168 PolarHBondContact O-N 3.48Å; T164-V168 VanDerWaalsContact O-N 3.17Å
165	K	97.8	Very high	96.8	Very high	144 Å²	144	58.4 Å²	58.4	63%	0.626	30%	0.299	S	S	*	.	H	α-helix	trans	-62	-42	174.2	-69.7	179.1	-179.8	-179.6	0	111.6	T161 D162 L167 V168 F169	T161-K165 PolarHBondContact O-N 3Å; D162-K165 WeakPolarHBondContact O-CB 3.42Å; D162-K165 PolarHBondContact O-N 3.33Å; D162-K165 VanDerWaalsContact O-N 3.1Å; K165-L167 VanDerWaalsContact C-N 3.34Å; K165-V168 PolarHBondContact O-N 2.89Å; K165-F169 PolarHBondContact O-N 2.73Å
166	R	97.4	Very high	96.7	Very high	65 Å²	65	58.7 Å²	58.7	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-36.7	175.2	-67.9	-179.7	-171.9	-78.6	-12.1	112.5	M117 F147 D162 A163 T164 V168 F169 L170	M117-R166 HydrophobicContact SD-CB 4.49Å; M117-R166 HydrophobicContact SD-CG 4.2Å; M117-R166 PolarHBondContact SD-NH1 2.85Å; F147-R166 HydrophobicContact CD2-CB 4.1Å; F147-R166 HydrophobicContact CE2-CB 3.9Å; F147-R166 HydrophobicContact CE2-CG 4.44Å; F147-R166 HydrophobicContact CZ-CB 4.32Å; F147-R166 HydrophobicContact CZ-CG 4.47Å; D162-R166 WeakPolarHBondContact O-CG 3.45Å; D162-R166 PolarHBondContact O-N 3.29Å; D162-R166 IonicContact OD2-CZ 2.97Å; D162-R166 IonicContact OD2-NE 3.47Å; D162-R166 PolarHBondContact OD2-NE 2.7Å; D162-R166 IonicContact OD2-NH2 3.39Å; D162-R166 PolarHBondContact OD2-NH2 2.85Å; D162-R166 VanDerWaalsContact OD2-NH2 3.14Å; A163-R166 PolarHBondContact O-N 3.1Å; T164-R166 VanDerWaalsContact C-N 3.33Å; T164-R166 PolarHBondContact O-N 2.9Å; R166-V168 VanDerWaalsContact C-N 3.32Å; R166-V168 PolarHBondContact O-N 3.44Å; R166-F169 PolarHBondContact O-N 2.89Å; R166-L170 WeakPolarHBondContact O-CB 3.49Å; R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.47Å; R166-L170 PolarHBondContact O-N 2.93Å
167	L	97	Very high	96.6	Very high	23 Å²	23	53 Å²	53	12%	0.12	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-43.4	174.2	-77.7	172.3	0	0	0	111.5	F144 F147 S148 V151 A163 T164 K165 L170 K171	F144-L167 HydrophobicContact CD1-CD2 4.44Å; F144-L167 HydrophobicContact CD2-CD2 3.55Å; F144-L167 HydrophobicContact CE2-CB 4.46Å; F144-L167 HydrophobicContact CE2-CD2 3.71Å; F144-L167 HydrophobicContact CG-CD2 3.94Å; F144-L167 HydrophobicContact CZ-CD2 4.23Å; F144-L167 WeakPolarHBondContact O-CD2 3.48Å; F147-L167 HydrophobicContact CB-CD1 4.28Å; F147-L167 HydrophobicContact CB-CD2 3.68Å; F147-L167 HydrophobicContact CB-CG 3.74Å; S148-L167 WeakPolarHBondContact OG-CD2 3.45Å; V151-L167 HydrophobicContact CB-CD1 4.3Å; V151-L167 HydrophobicContact CG2-CD1 3.85Å; A163-L167 WeakPolarHBondContact O-CG 3.48Å; A163-L167 PolarHBondContact O-N 3.47Å; T164-L167 WeakPolarHBondContact O-CB 3.46Å; T164-L167 PolarHBondContact O-N 3.44Å; K165-L167 VanDerWaalsContact C-N 3.34Å; L167-L170 PolarHBondContact O-N 3.42Å; L167-K171 VanDerWaalsContact O-CB 3.23Å; L167-K171 WeakPolarHBondContact O-CB 3.33Å; L167-K171 PolarHBondContact O-N 2.94Å
168	V	96.7	Very high	96.5	Very high	103 Å²	103	53.6 Å²	53.6	62%	0.624	26%	0.26	S	S	*	.	H	α-helix	trans	-60.5	-47.5	175.8	176.4	0	0	0	0	110.9	T164 K165 R166 K171 D172	T164-V168 PolarHBondContact O-N 3.48Å; T164-V168 VanDerWaalsContact O-N 3.17Å; K165-V168 PolarHBondContact O-N 2.89Å; R166-V168 VanDerWaalsContact C-N 3.32Å; R166-V168 PolarHBondContact O-N 3.44Å; V168-K171 WeakPolarHBondContact O-CB 3.43Å; V168-K171 PolarHBondContact O-N 3.44Å; V168-D172 PolarHBondContact O-N 3.19Å; V168-D172 VanDerWaalsContact O-N 3.12Å
169	F	94.2	Very high	96.5	Very high	99 Å²	99	48.8 Å²	48.8	43%	0.434	24%	0.236	S	C	.	.	H	α-helix	trans	-59.9	-47.9	176.4	170.8	-93.7	0	0	0	112.7	M117 K165 R166 K171 D172 R173	M117-F169 HydrophobicContact CE-CD1 3.61Å; M117-F169 HydrophobicContact CE-CE1 3.58Å; K165-F169 PolarHBondContact O-N 2.73Å; R166-F169 PolarHBondContact O-N 2.89Å; F169-K171 VanDerWaalsContact C-N 3.32Å; F169-K171 PolarHBondContact O-N 3.47Å; F169-D172 PolarHBondContact O-N 3.33Å; F169-R173 PolarHBondContact O-N 2.54Å
170	L	94.9	Very high	96.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-36.8	180	-73.5	167.2	0	0	0	111.5	A140 A143 F144 F147 R166 L167 R173 L174	A140-L170 HydrophobicContact CB-CD2 3.88Å; A143-L170 HydrophobicContact CB-CD1 3.74Å; A143-L170 HydrophobicContact CB-CD2 4.26Å; F144-L170 HydrophobicContact CB-CB 4.36Å; F144-L170 HydrophobicContact CB-CD1 4.39Å; F144-L170 HydrophobicContact CD2-CB 3.98Å; F147-L170 HydrophobicContact CD2-CD1 3.62Å; F147-L170 HydrophobicContact CE2-CD1 3.9Å; R166-L170 WeakPolarHBondContact O-CB 3.49Å; R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.47Å; R166-L170 PolarHBondContact O-N 2.93Å; L167-L170 PolarHBondContact O-N 3.42Å; L170-R173 PolarHBondContact O-N 2.98Å; L170-L174 WeakPolarHBondContact O-CB 3.39Å; L170-L174 WeakPolarHBondContact O-CG 3.23Å; L170-L174 PolarHBondContact O-N 3.32Å
171	K	95.5	Very high	96.3	Very high	43 Å²	43	48.3 Å²	48.3	19%	0.187	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-46.1	175.4	-158	-179.8	-173.5	176	0	111.1	F144 L167 V168 F169 L174 A175 Y205 D207 T208	F144-K171 HydrophobicContact CE2-CB 4Å; F144-K171 HydrophobicContact CE2-CG 4.23Å; L167-K171 VanDerWaalsContact O-CB 3.23Å; L167-K171 WeakPolarHBondContact O-CB 3.33Å; L167-K171 PolarHBondContact O-N 2.94Å; V168-K171 WeakPolarHBondContact O-CB 3.43Å; V168-K171 PolarHBondContact O-N 3.44Å; F169-K171 VanDerWaalsContact C-N 3.32Å; F169-K171 PolarHBondContact O-N 3.47Å; K171-L174 PolarHBondContact O-N 3.47Å; K171-A175 WeakPolarHBondContact O-CB 3.26Å; K171-A175 PolarHBondContact O-N 3.33Å; K171-Y205 HydrophobicContact CG-CD1 3.57Å; K171-Y205 HydrophobicContact CG-CE1 4.3Å; K171-Y205 HydrophobicContact CG-CG 4.43Å; K171-D207 WeakPolarHBondContact CD-OD1 3.49Å; K171-D207 WeakPolarHBondContact CE-OD1 3.39Å; K171-D207 IonicContact NZ-OD1 2.87Å; K171-D207 PolarHBondContact NZ-OD1 2.95Å; K171-D207 IonicContact NZ-OD2 3.94Å; K171-D207 PolarHBondContact NZ-OD2 2.83Å; K171-T208 HydrophobicContact CB-CG2 4.31Å; K171-T208 HydrophobicContact CD-CG2 4.11Å; K171-T208 HydrophobicContact CG-CG2 3.79Å
172	D	94.6	Very high	96.2	Very high	42 Å²	42	43.7 Å²	43.7	23%	0.225	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-46.5	175.7	-175.2	67.9	0	0	0	111.8	V168 F169 L174 A175 K176	V168-D172 PolarHBondContact O-N 3.19Å; V168-D172 VanDerWaalsContact O-N 3.12Å; F169-D172 PolarHBondContact O-N 3.33Å; D172-L174 PolarHBondContact O-N 3.42Å; D172-A175 PolarHBondContact O-N 2.94Å; D172-K176 WeakPolarHBondContact O-CG 3.26Å; D172-K176 PolarHBondContact O-N 3.29Å; D172-K176 WeakPolarHBondContact OD2-CE 3.27Å; D172-K176 IonicContact OD2-NZ 3.66Å; D172-K176 PolarHBondContact OD2-NZ 3.26Å
173	R	92.8	Very high	96.2	Very high	28 Å²	28	44.5 Å²	44.5	11%	0.106	21%	0.213	C	C	.	.	H	α-helix	trans	-57.4	-46.3	176	179.8	172.8	-177.4	151.8	-11.5	112.5	D120 D121 F169 L170 K176 Y177	D120-R173 PolarHBondContact O-NH2 2.73Å; D120-R173 IonicContact OD1-CZ 3.2Å; D120-R173 IonicContact OD1-NE 2.97Å; D120-R173 IonicContact OD1-NH2 2.72Å; D120-R173 PolarHBondContact OD1-NH2 3.28Å; D120-R173 WeakPolarHBondContact OD2-CD 3.22Å; D120-R173 IonicContact OD2-CZ 3.36Å; D120-R173 IonicContact OD2-NE 2.79Å; D120-R173 PolarHBondContact OD2-NE 2.97Å; D120-R173 IonicContact OD2-NH1 2.69Å; D120-R173 PolarHBondContact OD2-NH1 3.18Å; D120-R173 IonicContact OD2-NH2 2.89Å; D120-R173 PolarHBondContact OD2-NH2 3.12Å; D121-R173 IonicContact OD1-NH1 3.14Å; D121-R173 PolarHBondContact OD1-NH1 2.71Å; F169-R173 PolarHBondContact O-N 2.54Å; L170-R173 PolarHBondContact O-N 2.98Å; R173-K176 PolarHBondContact O-N 3.09Å; R173-Y177 PolarHBondContact O-N 3.49Å
174	L	95.1	Very high	96.1	Very high	2 Å²	2	50 Å²	50	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-39	179	-70.9	169.2	0	0	0	111.9	P137 A140 R141 F144 L170 K171 D172 Y177 E178 Y205	P137-L174 HydrophobicContact CB-CD2 3.85Å; P137-L174 HydrophobicContact CG-CD2 3.64Å; A140-L174 HydrophobicContact CB-CD2 4.11Å; A140-L174 HydrophobicContact CB-CG 4.5Å; R141-L174 HydrophobicContact CB-CD2 4.04Å; R141-L174 HydrophobicContact CG-CD2 4.43Å; F144-L174 HydrophobicContact CB-CD1 3.97Å; F144-L174 HydrophobicContact CD2-CD1 4.24Å; F144-L174 HydrophobicContact CG-CD1 4.08Å; L170-L174 WeakPolarHBondContact O-CB 3.39Å; L170-L174 WeakPolarHBondContact O-CG 3.23Å; L170-L174 PolarHBondContact O-N 3.32Å; K171-L174 PolarHBondContact O-N 3.47Å; D172-L174 PolarHBondContact O-N 3.42Å; L174-Y177 PolarHBondContact O-N 3.23Å; L174-E178 PolarHBondContact O-N 3.48Å; L174-Y205 HydrophobicContact CB-CE1 3.91Å; L174-Y205 HydrophobicContact CB-CE2 4.12Å; L174-Y205 HydrophobicContact CD1-CE1 4.13Å
175	A	96.4	Very high	96.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-40	175.5	0	0	0	0	0	112	K171 D172 Y177 E178 Y179 M201 Y205 T208 A210	K171-A175 WeakPolarHBondContact O-CB 3.26Å; K171-A175 PolarHBondContact O-N 3.33Å; D172-A175 PolarHBondContact O-N 2.94Å; A175-Y177 VanDerWaalsContact C-N 3.29Å; A175-Y177 PolarHBondContact O-N 3.21Å; A175-E178 PolarHBondContact O-N 3.11Å; A175-Y179 WeakPolarHBondContact O-CB 3.24Å; A175-Y179 PolarHBondContact O-N 2.95Å; A175-M201 WeakPolarHBondContact O-CE 3.45Å; A175-Y205 HydrophobicContact CB-CD2 4.02Å; A175-Y205 HydrophobicContact CB-CG 4.01Å; A175-T208 HydrophobicContact CB-CG2 3.91Å; A175-T208 WeakPolarHBondContact CB-OG1 3.32Å; A175-A210 HydrophobicContact CB-CB 3.91Å
176	K	95.3	Very high	96.1	Very high	84 Å²	84	44.7 Å²	44.7	37%	0.365	21%	0.207	S	C	.	.	H	α-helix	trans	-59.9	-38.6	174.6	-74.8	172.6	170.9	158.8	0	112.4	D172 R173 Y179 S180 A210	D172-K176 WeakPolarHBondContact O-CG 3.26Å; D172-K176 PolarHBondContact O-N 3.29Å; D172-K176 WeakPolarHBondContact OD2-CE 3.27Å; D172-K176 IonicContact OD2-NZ 3.66Å; D172-K176 PolarHBondContact OD2-NZ 3.26Å; R173-K176 PolarHBondContact O-N 3.09Å; K176-Y179 WeakPolarHBondContact O-CB 3.41Å; K176-Y179 PolarHBondContact O-N 3.4Å; K176-S180 PolarHBondContact O-N 2.94Å; K176-S180 PolarHBondContact O-OG 3.46Å; K176-S180 VanDerWaalsContact O-OG 3.14Å; K176-A210 HydrophobicContact CG-CB 4.04Å
177	Y	94.8	Very high	96.1	Very high	39 Å²	39	49 Å²	49	15%	0.153	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-50	173.1	173.9	-101.6	0	0	0	112.9	S133 R135 P137 R173 L174 A175 Y179 S180 V181	S133-Y177 WeakPolarHBondContact O-CA 3.47Å; S133-Y177 WeakPolarHBondContact O-CB 3.45Å; S133-Y177 WeakPolarHBondContact O-CD2 3.38Å; R135-Y177 WeakPolarHBondContact O-CD2 3.37Å; P137-Y177 HydrophobicContact CG-CD1 3.79Å; P137-Y177 HydrophobicContact CG-CD2 4.27Å; P137-Y177 HydrophobicContact CG-CE1 4.37Å; P137-Y177 HydrophobicContact CG-CG 3.72Å; R173-Y177 PolarHBondContact O-N 3.49Å; L174-Y177 PolarHBondContact O-N 3.23Å; A175-Y177 VanDerWaalsContact C-N 3.29Å; A175-Y177 PolarHBondContact O-N 3.21Å; Y177-Y179 PolarHBondContact O-N 3.48Å; Y177-S180 PolarHBondContact O-N 3.4Å; Y177-V181 HydrophobicContact CE1-CG2 4.1Å; Y177-V181 HydrophobicContact CE2-CG2 4.09Å; Y177-V181 WeakPolarHBondContact O-CG2 3.47Å; Y177-V181 PolarHBondContact O-N 3.34Å
178	E	96.5	Very high	96.1	Very high	28 Å²	28	54.6 Å²	54.6	13%	0.131	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-34.5	177.7	-66.6	-63.8	152.4	0	0	111.8	L174 A175 V181 A182 R197 M201 Y205	L174-E178 PolarHBondContact O-N 3.48Å; A175-E178 PolarHBondContact O-N 3.11Å; E178-V181 PolarHBondContact O-N 2.89Å; E178-A182 WeakPolarHBondContact O-CB 3.42Å; E178-A182 PolarHBondContact O-N 3.22Å; E178-R197 IonicContact OE1-NH1 3.79Å; E178-R197 VanDerWaalsContact OE2-CD 3.24Å; E178-R197 WeakPolarHBondContact OE2-CD 3.31Å; E178-R197 IonicContact OE2-CZ 3.25Å; E178-R197 IonicContact OE2-NE 2.73Å; E178-R197 IonicContact OE2-NH1 2.94Å; E178-R197 PolarHBondContact OE2-NH1 3.12Å; E178-M201 HydrophobicContact CB-CE 4.36Å; E178-M201 HydrophobicContact CB-CG 3.43Å; E178-M201 VanDerWaalsContact CB-CG 3.43Å; E178-M201 HydrophobicContact CB-SD 3.79Å; E178-M201 HydrophobicContact CG-CG 4.25Å; E178-Y205 HydrophobicContact CG-CE2 4.24Å
179	Y	97.1	Very high	96.2	Very high	49 Å²	49	51.2 Å²	51.2	19%	0.192	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-50.4	172.9	179.1	-97.2	0	0	0	111.7	A175 K176 Y177 V181 A182 E183 A210 D213 A214 L217	A175-Y179 WeakPolarHBondContact O-CB 3.24Å; A175-Y179 PolarHBondContact O-N 2.95Å; K176-Y179 WeakPolarHBondContact O-CB 3.41Å; K176-Y179 PolarHBondContact O-N 3.4Å; Y177-Y179 PolarHBondContact O-N 3.48Å; Y179-V181 VanDerWaalsContact C-N 3.26Å; Y179-V181 PolarHBondContact O-N 3.03Å; Y179-A182 CarbonylContact O-C 3.11Å; Y179-A182 WeakPolarHBondContact O-CA 3.41Å; Y179-A182 WeakPolarHBondContact O-CB 3.33Å; Y179-A182 PolarHBondContact O-N 3.01Å; Y179-E183 HydrophobicContact CD1-CG 4.19Å; Y179-E183 HydrophobicContact CE1-CG 3.67Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.26Å; Y179-E183 WeakPolarHBondContact CE1-OE2 3.36Å; Y179-E183 HydrophobicContact CE2-CG 4.37Å; Y179-E183 VanDerWaalsContact CZ-CD 3.45Å; Y179-E183 VanDerWaalsContact CZ-OE1 3.31Å; Y179-E183 PolarHBondContact O-N 2.84Å; Y179-E183 PolarHBondContact OH-OE1 2.53Å; Y179-A210 WeakPolarHBondContact CD2-O 3.26Å; Y179-D213 HydrophobicContact CD2-CB 4.36Å; Y179-D213 HydrophobicContact CE2-CB 3.85Å; Y179-A214 HydrophobicContact CD2-CB 3.82Å; Y179-A214 HydrophobicContact CE2-CB 4.35Å; Y179-L217 HydrophobicContact CD2-CD1 4.27Å; Y179-L217 HydrophobicContact CE2-CD1 3.79Å
180	S	95.9	Very high	96.4	Very high	31 Å²	31	48.2 Å²	48.2	22%	0.217	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-35.7	177.2	-60.1	0	0	0	0	112.6	K176 Y177 E183 Y184	K176-S180 PolarHBondContact O-N 2.94Å; K176-S180 PolarHBondContact O-OG 3.46Å; K176-S180 VanDerWaalsContact O-OG 3.14Å; Y177-S180 PolarHBondContact O-N 3.4Å; S180-E183 PolarHBondContact O-N 2.89Å; S180-Y184 WeakPolarHBondContact O-CB 3.49Å; S180-Y184 PolarHBondContact O-N 3.37Å
181	V	96.5	Very high	96.5	Very high	22 Å²	22	51.1 Å²	51.1	13%	0.133	24%	0.241	C	C	.	.	H	α-helix	trans	-67.9	-39.7	173.2	177	0	0	0	0	111.3	Y177 E178 Y179 Y184 Y185 R197	Y177-V181 HydrophobicContact CE1-CG2 4.1Å; Y177-V181 HydrophobicContact CE2-CG2 4.09Å; Y177-V181 WeakPolarHBondContact O-CG2 3.47Å; Y177-V181 PolarHBondContact O-N 3.34Å; E178-V181 PolarHBondContact O-N 2.89Å; Y179-V181 VanDerWaalsContact C-N 3.26Å; Y179-V181 PolarHBondContact O-N 3.03Å; V181-Y184 PolarHBondContact O-N 2.75Å; V181-Y185 HydrophobicContact CG1-CD2 3.89Å; V181-Y185 HydrophobicContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact O-CD2 3.26Å; V181-Y185 WeakPolarHBondContact O-CD2 3.38Å; V181-Y185 PolarHBondContact O-N 2.95Å; V181-Y185 VanDerWaalsContact O-N 3.09Å; V181-R197 HydrophobicContact CG1-CG 4.16Å
182	A	98	Very high	96.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.9	-40.1	174.6	0	0	0	0	0	112.1	E178 Y179 Y185 T186 R197 V198 L217	E178-A182 WeakPolarHBondContact O-CB 3.42Å; E178-A182 PolarHBondContact O-N 3.22Å; Y179-A182 CarbonylContact O-C 3.11Å; Y179-A182 WeakPolarHBondContact O-CA 3.41Å; Y179-A182 WeakPolarHBondContact O-CB 3.33Å; Y179-A182 PolarHBondContact O-N 3.01Å; A182-Y185 PolarHBondContact O-N 3.35Å; A182-T186 WeakPolarHBondContact O-CB 3.37Å; A182-T186 PolarHBondContact O-N 3.4Å; A182-T186 PolarHBondContact O-OG1 3.19Å; A182-R197 HydrophobicContact CB-CB 4.04Å; A182-V198 HydrophobicContact CB-CG2 4.14Å; A182-L217 HydrophobicContact CB-CD1 4.13Å
183	E	97.4	Very high	96.9	Very high	73 Å²	73	52.8 Å²	52.8	34%	0.341	26%	0.258	S	S	.	.	H	α-helix	trans	-60.6	-49.3	172.4	-74.9	-173	129.3	0	0	111.3	Y179 S180 Y185 T186 E187 L217	Y179-E183 HydrophobicContact CD1-CG 4.19Å; Y179-E183 HydrophobicContact CE1-CG 3.67Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.26Å; Y179-E183 WeakPolarHBondContact CE1-OE2 3.36Å; Y179-E183 HydrophobicContact CE2-CG 4.37Å; Y179-E183 VanDerWaalsContact CZ-CD 3.45Å; Y179-E183 VanDerWaalsContact CZ-OE1 3.31Å; Y179-E183 PolarHBondContact O-N 2.84Å; Y179-E183 PolarHBondContact OH-OE1 2.53Å; S180-E183 PolarHBondContact O-N 2.89Å; E183-Y185 VanDerWaalsContact C-N 3.27Å; E183-Y185 PolarHBondContact O-N 2.95Å; E183-T186 WeakPolarHBondContact O-CA 3.46Å; E183-T186 VanDerWaalsContact O-CB 3.28Å; E183-T186 WeakPolarHBondContact O-CB 3.5Å; E183-T186 PolarHBondContact O-N 3.27Å; E183-E187 PolarHBondContact O-N 3.13Å; E183-L217 HydrophobicContact CG-CD1 3.84Å
184	Y	96.5	Very high	97.1	Very high	114 Å²	114	51.5 Å²	51.5	45%	0.447	25%	0.253	S	S	.	.	H	α-helix	trans	-55.8	-39.6	177.5	173.9	-87.7	0	0	0	113.1	S180 V181 R188	S180-Y184 WeakPolarHBondContact O-CB 3.49Å; S180-Y184 PolarHBondContact O-N 3.37Å; V181-Y184 PolarHBondContact O-N 2.75Å; Y184-R188 VanDerWaalsContact CZ-NH2 3.35Å; Y184-R188 PolarHBondContact O-N 3.48Å; Y184-R188 PolarHBondContact O-NH1 2.96Å; Y184-R188 PolarHBondContact OH-NE 2.96Å; Y184-R188 PolarHBondContact OH-NH2 3.1Å
185	Y	97.9	Very high	97.3	Very high	67 Å²	67	51.9 Å²	51.9	26%	0.263	26%	0.256	S	S	.	.	H	α-helix	trans	-74	-32.6	174.9	-71.8	-41.7	0	0	0	113	V181 A182 E183 R188 G189 A190 A193 R197	V181-Y185 HydrophobicContact CG1-CD2 3.89Å; V181-Y185 HydrophobicContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact CG1-CE2 3.44Å; V181-Y185 VanDerWaalsContact O-CD2 3.26Å; V181-Y185 WeakPolarHBondContact O-CD2 3.38Å; V181-Y185 PolarHBondContact O-N 2.95Å; V181-Y185 VanDerWaalsContact O-N 3.09Å; A182-Y185 PolarHBondContact O-N 3.35Å; E183-Y185 VanDerWaalsContact C-N 3.27Å; E183-Y185 PolarHBondContact O-N 2.95Å; Y185-R188 PolarHBondContact O-N 3.5Å; Y185-G189 PolarHBondContact O-N 3.32Å; Y185-A190 HydrophobicContact CD1-CB 4.11Å; Y185-A190 HydrophobicContact CG-CB 4.39Å; Y185-A190 PolarHBondContact O-N 3.43Å; Y185-A193 HydrophobicContact CD1-CB 4.13Å; Y185-A193 HydrophobicContact CD2-CB 3.64Å; Y185-A193 HydrophobicContact CE1-CB 4.41Å; Y185-A193 HydrophobicContact CE2-CB 3.93Å; Y185-A193 HydrophobicContact CG-CB 3.76Å; Y185-R197 HydrophobicContact CD2-CG 3.99Å; Y185-R197 HydrophobicContact CE2-CG 4.01Å
186	T	98.2	Very high	97.4	Very high	26 Å²	26	56.5 Å²	56.5	16%	0.16	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-47.1	174	-60.4	0	0	0	0	110.3	A182 E183 R188 G189 W191 V194 L217	A182-T186 WeakPolarHBondContact O-CB 3.37Å; A182-T186 PolarHBondContact O-N 3.4Å; A182-T186 PolarHBondContact O-OG1 3.19Å; E183-T186 WeakPolarHBondContact O-CA 3.46Å; E183-T186 VanDerWaalsContact O-CB 3.28Å; E183-T186 WeakPolarHBondContact O-CB 3.5Å; E183-T186 PolarHBondContact O-N 3.27Å; T186-R188 PolarHBondContact O-N 3.43Å; T186-R188 VanDerWaalsContact O-N 3.17Å; T186-G189 PolarHBondContact O-N 3.09Å; T186-W191 HydrophobicContact CG2-CZ3 3.97Å; T186-V194 WeakPolarHBondContact OG1-CG2 3.37Å; T186-L217 HydrophobicContact CG2-CD2 4.17Å
187	E	97.3	Very high	97.5	Very high	157 Å²	157	56.2 Å²	56.2	73%	0.734	28%	0.277	S	S	*	.	H	α-helix	trans	-59.3	-27.2	176.6	-69.3	179.2	170.3	0	0	113.4	E183	E183-E187 PolarHBondContact O-N 3.13Å
188	R	97.4	Very high	97.7	Very high	139 Å²	139	54.4 Å²	54.4	53%	0.525	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-0.5	179.5	-75.6	169.1	175.4	66.5	3.9	114	Y184 Y185 T186 A190	Y184-R188 VanDerWaalsContact CZ-NH2 3.35Å; Y184-R188 PolarHBondContact O-N 3.48Å; Y184-R188 PolarHBondContact O-NH1 2.96Å; Y184-R188 PolarHBondContact OH-NE 2.96Å; Y184-R188 PolarHBondContact OH-NH2 3.1Å; Y185-R188 PolarHBondContact O-N 3.5Å; T186-R188 PolarHBondContact O-N 3.43Å; T186-R188 VanDerWaalsContact O-N 3.17Å; R188-A190 PolarHBondContact O-N 3.1Å
189	G	97.5	Very high	97.8	Very high	33 Å²	33	57.3 Å²	57.3	34%	0.34	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	23.4	-174.5	0	0	0	0	0	114.1	Y185 T186 W191	Y185-G189 PolarHBondContact O-N 3.32Å; T186-G189 PolarHBondContact O-N 3.09Å; G189-W191 VanDerWaalsContact CA-CZ2 3.48Å; G189-W191 PolarHBondContact O-N 3.35Å; G189-W191 PolarHBondContact O-NE1 2.85Å
190	A	98.4	Very high	97.8	Very high	35 Å²	35	55.5 Å²	55.5	29%	0.289	28%	0.28	S	S	.	.			trans	-83.4	62.5	178.8	0	0	0	0	0	110.9	Y185 R188 V192 A193 V194	Y185-A190 HydrophobicContact CD1-CB 4.11Å; Y185-A190 HydrophobicContact CG-CB 4.39Å; Y185-A190 PolarHBondContact O-N 3.43Å; R188-A190 PolarHBondContact O-N 3.1Å; A190-V192 VanDerWaalsContact C-N 3.35Å; A190-V192 PolarHBondContact O-N 2.77Å; A190-A193 HydrophobicContact CB-CB 4.16Å; A190-A193 WeakPolarHBondContact O-CA 3.04Å; A190-A193 WeakPolarHBondContact O-CB 3.27Å; A190-A193 PolarHBondContact O-N 3.14Å; A190-V194 PolarHBondContact O-N 3.07Å; A190-V194 VanDerWaalsContact O-N 3.08Å
191	W	98.4	Very high	97.9	Very high	62 Å²	62	54 Å²	54	24%	0.235	27%	0.27	C	S	.	.	H	α-helix	trans	-57.5	-38.3	-167.2	-49.9	126.2	0	0	0	115	T186 G189 A193 V194 V195 A221 Q224 M225	T186-W191 HydrophobicContact CG2-CZ3 3.97Å; G189-W191 VanDerWaalsContact CA-CZ2 3.48Å; G189-W191 PolarHBondContact O-N 3.35Å; G189-W191 PolarHBondContact O-NE1 2.85Å; W191-A193 VanDerWaalsContact C-N 3.3Å; W191-A193 PolarHBondContact O-N 2.98Å; W191-V194 HydrophobicContact CE3-CG2 4.47Å; W191-V194 WeakPolarHBondContact O-CB 3.36Å; W191-V194 PolarHBondContact O-N 3.22Å; W191-V195 PolarHBondContact O-N 3.12Å; W191-A221 HydrophobicContact CB-CB 4.06Å; W191-A221 HydrophobicContact CE3-CB 4.08Å; W191-Q224 HydrophobicContact CD2-CB 3.73Å; W191-Q224 HydrophobicContact CD2-CG 3.97Å; W191-Q224 VanDerWaalsContact CE2-CB 3.49Å; W191-Q224 HydrophobicContact CE3-CB 4.47Å; W191-Q224 HydrophobicContact CE3-CG 4.33Å; W191-Q224 HydrophobicContact CG-CB 3.83Å; W191-Q224 HydrophobicContact CH2-CG 4.04Å; W191-Q224 HydrophobicContact CZ2-CB 4.07Å; W191-Q224 HydrophobicContact CZ2-CG 3.62Å; W191-Q224 HydrophobicContact CZ3-CG 4.36Å; W191-M225 HydrophobicContact CB-CE 4.21Å; W191-M225 HydrophobicContact CB-CG 3.58Å; W191-M225 HydrophobicContact CB-SD 3.74Å; W191-M225 HydrophobicContact CG-CG 4.23Å
192	V	98.4	Very high	97.9	Very high	93 Å²	93	55.6 Å²	55.6	56%	0.564	28%	0.277	S	S	*	.	H	α-helix	trans	-62.5	-39.8	175.1	178.6	0	0	0	0	111	A190 V195 N196 M225	A190-V192 VanDerWaalsContact C-N 3.35Å; A190-V192 PolarHBondContact O-N 2.77Å; V192-V195 PolarHBondContact O-N 2.69Å; V192-N196 VanDerWaalsContact O-CG 3.24Å; V192-N196 PolarHBondContact O-N 3.43Å; V192-N196 PolarHBondContact O-ND2 3.39Å; V192-M225 HydrophobicContact CB-SD 4.49Å; V192-M225 HydrophobicContact CG2-SD 3.61Å
193	A	98.3	Very high	97.8	Very high	27 Å²	27	64.2 Å²	64.2	22%	0.223	31%	0.309	C	S	.	.	H	α-helix	trans	-69.4	-37.3	178.2	0	0	0	0	0	111.6	Y185 A190 W191 N196 R197	Y185-A193 HydrophobicContact CD1-CB 4.13Å; Y185-A193 HydrophobicContact CD2-CB 3.64Å; Y185-A193 HydrophobicContact CE1-CB 4.41Å; Y185-A193 HydrophobicContact CE2-CB 3.93Å; Y185-A193 HydrophobicContact CG-CB 3.76Å; A190-A193 HydrophobicContact CB-CB 4.16Å; A190-A193 WeakPolarHBondContact O-CA 3.04Å; A190-A193 WeakPolarHBondContact O-CB 3.27Å; A190-A193 PolarHBondContact O-N 3.14Å; W191-A193 VanDerWaalsContact C-N 3.3Å; W191-A193 PolarHBondContact O-N 2.98Å; A193-N196 PolarHBondContact O-N 3.42Å; A193-R197 WeakPolarHBondContact O-CB 3.4Å; A193-R197 VanDerWaalsContact O-CG 3.23Å; A193-R197 WeakPolarHBondContact O-CG 3.25Å; A193-R197 PolarHBondContact O-N 3.03Å
194	V	98.6	Very high	97.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.7	-53.3	172.9	178.6	0	0	0	0	110.3	T186 A190 W191 N196 R197 V198 L217 A221	T186-V194 WeakPolarHBondContact OG1-CG2 3.37Å; A190-V194 PolarHBondContact O-N 3.07Å; A190-V194 VanDerWaalsContact O-N 3.08Å; W191-V194 HydrophobicContact CE3-CG2 4.47Å; W191-V194 WeakPolarHBondContact O-CB 3.36Å; W191-V194 PolarHBondContact O-N 3.22Å; V194-N196 VanDerWaalsContact C-N 3.35Å; V194-N196 PolarHBondContact O-N 2.87Å; V194-R197 PolarHBondContact O-N 3.35Å; V194-R197 VanDerWaalsContact O-N 3.13Å; V194-V198 HydrophobicContact CG1-CG2 4.33Å; V194-V198 WeakPolarHBondContact O-CG2 3.36Å; V194-V198 PolarHBondContact O-N 3.31Å; V194-L217 HydrophobicContact CG1-CB 3.98Å; V194-A221 HydrophobicContact CB-CB 3.95Å; V194-A221 HydrophobicContact CG1-CB 3.91Å
195	V	98.5	Very high	97.5	Very high	10 Å²	10	59.9 Å²	59.9	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-47.7	179	171.2	0	0	0	0	111.3	W191 V192 R197 V198 E199 M218 A221 Y222 M225	W191-V195 PolarHBondContact O-N 3.12Å; V192-V195 PolarHBondContact O-N 2.69Å; V195-R197 VanDerWaalsContact C-N 3.28Å; V195-R197 PolarHBondContact O-N 3.46Å; V195-V198 PolarHBondContact O-N 2.95Å; V195-E199 HydrophobicContact CG1-CG 4.18Å; V195-E199 WeakPolarHBondContact O-CB 3.5Å; V195-E199 WeakPolarHBondContact O-CG 3.45Å; V195-E199 PolarHBondContact O-N 2.87Å; V195-M218 HydrophobicContact CG1-CE 4.28Å; V195-M218 HydrophobicContact CG2-CG 4.36Å; V195-A221 HydrophobicContact CG2-CB 3.87Å; V195-Y222 HydrophobicContact CB-CE1 4.45Å; V195-Y222 HydrophobicContact CG1-CE1 3.81Å; V195-Y222 WeakPolarHBondContact CG1-OH 3.03Å; V195-Y222 HydrophobicContact CG2-CD1 4Å; V195-Y222 HydrophobicContact CG2-CE1 3.75Å; V195-Y222 HydrophobicContact CG2-CE2 4.44Å; V195-Y222 HydrophobicContact CG2-CG 4.42Å; V195-M225 HydrophobicContact CG2-CE 3.62Å
196	N	98.4	Very high	97.4	Very high	97 Å²	97	60.3 Å²	60.3	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-37.1	178.9	-71	-15.9	0	0	0	112.9	V192 A193 V194 G200	V192-N196 VanDerWaalsContact O-CG 3.24Å; V192-N196 PolarHBondContact O-N 3.43Å; V192-N196 PolarHBondContact O-ND2 3.39Å; A193-N196 PolarHBondContact O-N 3.42Å; V194-N196 VanDerWaalsContact C-N 3.35Å; V194-N196 PolarHBondContact O-N 2.87Å; N196-G200 PolarHBondContact O-N 3.05Å; N196-G200 VanDerWaalsContact O-N 3.1Å
197	R	97.9	Very high	97.2	Very high	79 Å²	79	63.6 Å²	63.6	30%	0.298	32%	0.323	S	S	.	.	H	α-helix	trans	-68.3	-50.7	176.9	-71.5	-70.3	172.4	-175.1	3.8	111.3	E178 V181 A182 Y185 A193 V194 V195 E199 G200 M201	E178-R197 IonicContact OE1-NH1 3.79Å; E178-R197 VanDerWaalsContact OE2-CD 3.24Å; E178-R197 WeakPolarHBondContact OE2-CD 3.31Å; E178-R197 IonicContact OE2-CZ 3.25Å; E178-R197 IonicContact OE2-NE 2.73Å; E178-R197 IonicContact OE2-NH1 2.94Å; E178-R197 PolarHBondContact OE2-NH1 3.12Å; V181-R197 HydrophobicContact CG1-CG 4.16Å; A182-R197 HydrophobicContact CB-CB 4.04Å; Y185-R197 HydrophobicContact CD2-CG 3.99Å; Y185-R197 HydrophobicContact CE2-CG 4.01Å; A193-R197 WeakPolarHBondContact O-CB 3.4Å; A193-R197 VanDerWaalsContact O-CG 3.23Å; A193-R197 WeakPolarHBondContact O-CG 3.25Å; A193-R197 PolarHBondContact O-N 3.03Å; V194-R197 PolarHBondContact O-N 3.35Å; V194-R197 VanDerWaalsContact O-N 3.13Å; V195-R197 VanDerWaalsContact C-N 3.28Å; V195-R197 PolarHBondContact O-N 3.46Å; R197-E199 PolarHBondContact O-N 3.25Å; R197-G200 CarbonylContact O-C 3.55Å; R197-G200 WeakPolarHBondContact O-CA 3.3Å; R197-G200 PolarHBondContact O-N 3.41Å; R197-G200 VanDerWaalsContact O-N 3.1Å; R197-M201 WeakPolarHBondContact O-CG 3.22Å; R197-M201 PolarHBondContact O-N 3.21Å
198	V	98.4	Very high	97.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.1	-35.2	-178.5	-175	0	0	0	0	111.9	A182 V194 V195 G200 M201 L202 A214 M218	A182-V198 HydrophobicContact CB-CG2 4.14Å; V194-V198 HydrophobicContact CG1-CG2 4.33Å; V194-V198 WeakPolarHBondContact O-CG2 3.36Å; V194-V198 PolarHBondContact O-N 3.31Å; V195-V198 PolarHBondContact O-N 2.95Å; V198-G200 VanDerWaalsContact C-N 3.32Å; V198-G200 PolarHBondContact O-N 2.81Å; V198-M201 WeakPolarHBondContact O-CB 3.48Å; V198-M201 PolarHBondContact O-N 3.3Å; V198-L202 HydrophobicContact CG1-CD1 4.48Å; V198-L202 WeakPolarHBondContact O-CG 3.49Å; V198-L202 PolarHBondContact O-N 2.82Å; V198-A214 HydrophobicContact CB-CB 4.45Å; V198-A214 HydrophobicContact CG1-CB 3.83Å; V198-A214 HydrophobicContact CG2-CB 3.86Å; V198-M218 HydrophobicContact CB-CB 3.93Å; V198-M218 HydrophobicContact CB-CG 4.27Å; V198-M218 HydrophobicContact CB-SD 4.07Å; V198-M218 HydrophobicContact CG1-CB 3.81Å; V198-M218 HydrophobicContact CG1-CG 4.28Å; V198-M218 HydrophobicContact CG1-SD 3.72Å; V198-M218 HydrophobicContact CG2-CB 4.17Å
199	E	98	Very high	97	Very high	89 Å²	89	54.3 Å²	54.3	42%	0.416	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-40.6	169.8	-77.2	-172.7	175.8	0	0	111.9	V195 R197 M201 L202 R203 M218 Y222	V195-E199 HydrophobicContact CG1-CG 4.18Å; V195-E199 WeakPolarHBondContact O-CB 3.5Å; V195-E199 WeakPolarHBondContact O-CG 3.45Å; V195-E199 PolarHBondContact O-N 2.87Å; R197-E199 PolarHBondContact O-N 3.25Å; E199-M201 VanDerWaalsContact C-N 3.35Å; E199-L202 PolarHBondContact O-N 2.94Å; E199-R203 WeakPolarHBondContact O-CB 3.5Å; E199-R203 PolarHBondContact O-N 3.43Å; E199-M218 HydrophobicContact CG-CE 3.45Å; E199-M218 VanDerWaalsContact CG-CE 3.45Å; E199-Y222 PolarHBondContact OE1-OH 3.17Å
200	G	97.5	Very high	96.9	Very high	11 Å²	11	53 Å²	53	11%	0.113	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-45.3	171.1	0	0	0	0	0	112.2	N196 R197 V198 R203 D204	N196-G200 PolarHBondContact O-N 3.05Å; N196-G200 VanDerWaalsContact O-N 3.1Å; R197-G200 CarbonylContact O-C 3.55Å; R197-G200 WeakPolarHBondContact O-CA 3.3Å; R197-G200 PolarHBondContact O-N 3.41Å; R197-G200 VanDerWaalsContact O-N 3.1Å; V198-G200 VanDerWaalsContact C-N 3.32Å; V198-G200 PolarHBondContact O-N 2.81Å; G200-R203 PolarHBondContact O-N 2.81Å; G200-D204 WeakPolarHBondContact O-CB 3.29Å; G200-D204 PolarHBondContact O-N 3.45Å
201	M	97.8	Very high	96.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-42.8	176.4	-64.9	173.5	74.1	0	0	112.7	A175 E178 R197 V198 E199 R203 D204 Y205 A210 T211 A214	A175-M201 WeakPolarHBondContact O-CE 3.45Å; E178-M201 HydrophobicContact CB-CE 4.36Å; E178-M201 HydrophobicContact CB-CG 3.43Å; E178-M201 VanDerWaalsContact CB-CG 3.43Å; E178-M201 HydrophobicContact CB-SD 3.79Å; E178-M201 HydrophobicContact CG-CG 4.25Å; R197-M201 WeakPolarHBondContact O-CG 3.22Å; R197-M201 PolarHBondContact O-N 3.21Å; V198-M201 WeakPolarHBondContact O-CB 3.48Å; V198-M201 PolarHBondContact O-N 3.3Å; E199-M201 VanDerWaalsContact C-N 3.35Å; M201-R203 VanDerWaalsContact C-N 3.27Å; M201-R203 PolarHBondContact O-N 3.26Å; M201-D204 PolarHBondContact O-N 3.47Å; M201-Y205 CarbonylContact O-C 3.52Å; M201-Y205 VanDerWaalsContact O-CA 3.25Å; M201-Y205 WeakPolarHBondContact O-CA 3.29Å; M201-Y205 PolarHBondContact O-N 3.35Å; M201-A210 HydrophobicContact CE-CB 4.25Å; M201-A210 WeakPolarHBondContact CE-O 3.43Å; M201-T211 HydrophobicContact CB-CG2 4.11Å; M201-A214 HydrophobicContact CE-CB 3.83Å; M201-A214 HydrophobicContact SD-CB 3.79Å
202	L	97.3	Very high	96.8	Very high	56 Å²	56	53.2 Å²	53.2	29%	0.293	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-32.9	175.7	-76.3	168.3	0	0	0	112.4	V198 E199 P206 T211 L215 M218	V198-L202 HydrophobicContact CG1-CD1 4.48Å; V198-L202 WeakPolarHBondContact O-CG 3.49Å; V198-L202 PolarHBondContact O-N 2.82Å; E199-L202 PolarHBondContact O-N 2.94Å; L202-P206 WeakPolarHBondContact O-CB 3.43Å; L202-T211 HydrophobicContact CD2-CG2 3.77Å; L202-T211 HydrophobicContact CG-CG2 4.12Å; L202-L215 HydrophobicContact CD1-CD2 4.01Å; L202-L215 HydrophobicContact CD2-CD2 3.92Å; L202-L215 HydrophobicContact CG-CD2 4.3Å; L202-M218 HydrophobicContact CD1-CE 4.44Å; L202-M218 HydrophobicContact CD1-SD 4Å
203	R	96.1	Very high	96.7	Very high	180 Å²	180	52.2 Å²	52.2	68%	0.679	26%	0.257	S	S	*	.	H	α-helix	trans	-75.5	-45.9	176.6	-176.1	-172	64.3	-134.2	-9.8	112	E199 G200 M201	E199-R203 WeakPolarHBondContact O-CB 3.5Å; E199-R203 PolarHBondContact O-N 3.43Å; G200-R203 PolarHBondContact O-N 2.81Å; M201-R203 VanDerWaalsContact C-N 3.27Å; M201-R203 PolarHBondContact O-N 3.26Å
204	D	92.2	Very high	96.7	Very high	74 Å²	74	51 Å²	51	40%	0.396	25%	0.246	S	C	.	.	H	α-helix	trans	-95.7	-32.4	-166.6	-59	-25.4	0	0	0	112.2	G200 M201	G200-D204 WeakPolarHBondContact O-CB 3.29Å; G200-D204 PolarHBondContact O-N 3.45Å; M201-D204 PolarHBondContact O-N 3.47Å
205	Y	94.5	Very high	96.7	Very high	23 Å²	23	51.2 Å²	51.2	9%	0.09	25%	0.247	C	C	.	.			trans	-135.7	48.8	-174.4	-43.6	-61	0	0	0	113.9	K171 L174 A175 E178 M201 D207 T208 T211	K171-Y205 HydrophobicContact CG-CD1 3.57Å; K171-Y205 HydrophobicContact CG-CE1 4.3Å; K171-Y205 HydrophobicContact CG-CG 4.43Å; L174-Y205 HydrophobicContact CB-CE1 3.91Å; L174-Y205 HydrophobicContact CB-CE2 4.12Å; L174-Y205 HydrophobicContact CD1-CE1 4.13Å; A175-Y205 HydrophobicContact CB-CD2 4.02Å; A175-Y205 HydrophobicContact CB-CG 4.01Å; E178-Y205 HydrophobicContact CG-CE2 4.24Å; M201-Y205 CarbonylContact O-C 3.52Å; M201-Y205 VanDerWaalsContact O-CA 3.25Å; M201-Y205 WeakPolarHBondContact O-CA 3.29Å; M201-Y205 PolarHBondContact O-N 3.35Å; Y205-D207 PolarHBondContact O-N 3.48Å; Y205-D207 VanDerWaalsContact O-N 3.09Å; Y205-T208 PolarHBondContact O-N 2.95Å; Y205-T208 PolarHBondContact O-OG1 3.35Å; Y205-T211 VanDerWaalsContact O-CB 3.28Å; Y205-T211 WeakPolarHBondContact O-CB 3.49Å; Y205-T211 PolarHBondContact O-OG1 3.05Å
206	P	95.4	Very high	96.7	Very high	75 Å²	75	53.9 Å²	53.9	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.7	-171.3	21.7	-33.1	0	0	0	115.9	L202	L202-P206 WeakPolarHBondContact O-CB 3.43Å
207	D	94.5	Very high	96.7	Very high	96 Å²	96	50.5 Å²	50.5	51%	0.513	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	2.5	-172.1	59.5	-13.6	0	0	0	113.7	K171 Y205	K171-D207 WeakPolarHBondContact CD-OD1 3.49Å; K171-D207 WeakPolarHBondContact CE-OD1 3.39Å; K171-D207 IonicContact NZ-OD1 2.87Å; K171-D207 PolarHBondContact NZ-OD1 2.95Å; K171-D207 IonicContact NZ-OD2 3.94Å; K171-D207 PolarHBondContact NZ-OD2 2.83Å; Y205-D207 PolarHBondContact O-N 3.48Å; Y205-D207 VanDerWaalsContact O-N 3.09Å
208	T	96	Very high	96.7	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	23%	0.234	C	C	.	.	S	Bend	trans	-86.8	154.7	179.2	63.3	0	0	0	0	111.7	K171 A175 Y205 T211 R212	K171-T208 HydrophobicContact CB-CG2 4.31Å; K171-T208 HydrophobicContact CD-CG2 4.11Å; K171-T208 HydrophobicContact CG-CG2 3.79Å; A175-T208 HydrophobicContact CB-CG2 3.91Å; A175-T208 WeakPolarHBondContact CB-OG1 3.32Å; Y205-T208 PolarHBondContact O-N 2.95Å; Y205-T208 PolarHBondContact O-OG1 3.35Å; T208-T211 PolarHBondContact O-N 3.18Å; T208-T211 PolarHBondContact OG1-N 3.19Å; T208-T211 PolarHBondContact OG1-OG1 3.09Å; T208-R212 PolarHBondContact O-N 3.09Å
209	Q	95	Very high	96.7	Very high	92 Å²	92	49.1 Å²	49.1	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-64	-43.6	177.7	-174.6	56.6	40	0	0	111.3	T211 R212 D213	Q209-T211 PolarHBondContact O-N 3.47Å; Q209-R212 WeakPolarHBondContact O-CA 3.23Å; Q209-R212 WeakPolarHBondContact O-CB 3.32Å; Q209-R212 PolarHBondContact O-N 3.1Å; Q209-D213 PolarHBondContact NE2-OD1 3Å; Q209-D213 VanDerWaalsContact O-CG 3.31Å; Q209-D213 PolarHBondContact O-N 2.88Å
210	A	96.2	Very high	96.8	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-56.9	-35.3	177.8	0	0	0	0	0	113	A175 K176 Y179 M201 D213 A214	A175-A210 HydrophobicContact CB-CB 3.91Å; K176-A210 HydrophobicContact CG-CB 4.04Å; Y179-A210 WeakPolarHBondContact CD2-O 3.26Å; M201-A210 HydrophobicContact CE-CB 4.25Å; M201-A210 WeakPolarHBondContact CE-O 3.43Å; A210-D213 PolarHBondContact O-N 2.84Å; A210-A214 WeakPolarHBondContact O-CB 3.48Å; A210-A214 PolarHBondContact O-N 2.88Å
211	T	97.6	Very high	96.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-36.7	175.1	-60.7	0	0	0	0	112.4	M201 L202 Y205 T208 Q209 A214 L215	M201-T211 HydrophobicContact CB-CG2 4.11Å; L202-T211 HydrophobicContact CD2-CG2 3.77Å; L202-T211 HydrophobicContact CG-CG2 4.12Å; Y205-T211 VanDerWaalsContact O-CB 3.28Å; Y205-T211 WeakPolarHBondContact O-CB 3.49Å; Y205-T211 PolarHBondContact O-OG1 3.05Å; T208-T211 PolarHBondContact O-N 3.18Å; T208-T211 PolarHBondContact OG1-N 3.19Å; T208-T211 PolarHBondContact OG1-OG1 3.09Å; Q209-T211 PolarHBondContact O-N 3.47Å; T211-A214 WeakPolarHBondContact O-CB 3.46Å; T211-A214 PolarHBondContact O-N 3.36Å; T211-L215 PolarHBondContact O-N 3.49Å
212	R	96.6	Very high	96.9	Very high	100 Å²	100	48.2 Å²	48.2	38%	0.377	24%	0.237	S	C	.	.	H	α-helix	trans	-66.6	-43.5	173.8	-62.8	178.7	-173.4	158.9	-0.7	111	T208 Q209 A214 L215 P216	T208-R212 PolarHBondContact O-N 3.09Å; Q209-R212 WeakPolarHBondContact O-CA 3.23Å; Q209-R212 WeakPolarHBondContact O-CB 3.32Å; Q209-R212 PolarHBondContact O-N 3.1Å; R212-A214 PolarHBondContact O-N 3.08Å; R212-L215 WeakPolarHBondContact O-CB 3.22Å; R212-L215 PolarHBondContact O-N 2.81Å; R212-P216 WeakPolarHBondContact O-CD 3.43Å
213	D	97	Very high	96.9	Very high	73 Å²	73	49.4 Å²	49.4	39%	0.39	24%	0.238	S	C	.	.	H	α-helix	trans	-65.7	-25.8	178	-58.8	-21.5	0	0	0	111.8	Y179 Q209 A210 P216	Y179-D213 HydrophobicContact CD2-CB 4.36Å; Y179-D213 HydrophobicContact CE2-CB 3.85Å; Q209-D213 PolarHBondContact NE2-OD1 3Å; Q209-D213 VanDerWaalsContact O-CG 3.31Å; Q209-D213 PolarHBondContact O-N 2.88Å; A210-D213 PolarHBondContact O-N 2.84Å; D213-P216 WeakPolarHBondContact O-CD 3.43Å
214	A	98.1	Very high	97	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-75.1	-22.5	175.9	0	0	0	0	0	114.2	Y179 V198 M201 A210 T211 R212 L217 M218	Y179-A214 HydrophobicContact CD2-CB 3.82Å; Y179-A214 HydrophobicContact CE2-CB 4.35Å; V198-A214 HydrophobicContact CB-CB 4.45Å; V198-A214 HydrophobicContact CG1-CB 3.83Å; V198-A214 HydrophobicContact CG2-CB 3.86Å; M201-A214 HydrophobicContact CE-CB 3.83Å; M201-A214 HydrophobicContact SD-CB 3.79Å; A210-A214 WeakPolarHBondContact O-CB 3.48Å; A210-A214 PolarHBondContact O-N 2.88Å; T211-A214 WeakPolarHBondContact O-CB 3.46Å; T211-A214 PolarHBondContact O-N 3.36Å; R212-A214 PolarHBondContact O-N 3.08Å; A214-L217 VanDerWaalsContact O-CB 3.31Å; A214-L217 WeakPolarHBondContact O-CB 3.47Å; A214-L217 PolarHBondContact O-N 3.2Å; A214-M218 PolarHBondContact O-N 2.89Å
215	L	98.2	Very high	97.3	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-43.9	-175.9	-68	174.5	0	0	0	112.8	L202 T211 R212 L217 M218 E219 V234 I237 I238	L202-L215 HydrophobicContact CD1-CD2 4.01Å; L202-L215 HydrophobicContact CD2-CD2 3.92Å; L202-L215 HydrophobicContact CG-CD2 4.3Å; T211-L215 PolarHBondContact O-N 3.49Å; R212-L215 WeakPolarHBondContact O-CB 3.22Å; R212-L215 PolarHBondContact O-N 2.81Å; L215-L217 VanDerWaalsContact C-N 3.25Å; L215-L217 PolarHBondContact O-N 2.99Å; L215-M218 WeakPolarHBondContact O-CB 2.94Å; L215-M218 PolarHBondContact O-N 2.86Å; L215-M218 VanDerWaalsContact O-N 3.14Å; L215-E219 PolarHBondContact O-N 2.75Å; L215-V234 HydrophobicContact CB-CG1 4.22Å; L215-V234 HydrophobicContact CD2-CG1 4.37Å; L215-V234 WeakPolarHBondContact O-CG1 3.36Å; L215-I237 HydrophobicContact CD1-CG2 3.82Å; L215-I238 HydrophobicContact CB-CD1 3.88Å; L215-I238 HydrophobicContact CB-CG1 3.52Å; L215-I238 HydrophobicContact CD1-CG1 3.98Å; L215-I238 HydrophobicContact CG-CG1 4.39Å
216	P	98.2	Very high	97.5	Very high	66 Å²	66	50.5 Å²	50.5	43%	0.429	25%	0.25	S	S	.	.	H	α-helix	trans	-55	-35.7	171	-28.6	34.6	0	0	0	114.5	R212 D213 E219 N220 I238	R212-P216 WeakPolarHBondContact O-CD 3.43Å; D213-P216 WeakPolarHBondContact O-CD 3.43Å; P216-E219 PolarHBondContact O-N 3.38Å; P216-N220 WeakPolarHBondContact O-CB 3.36Å; P216-N220 PolarHBondContact O-N 2.91Å; P216-I238 HydrophobicContact CG-CD1 4.2Å
217	L	98.5	Very high	97.6	Very high	26 Å²	26	50.2 Å²	50.2	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-42.4	176.8	-53.7	-179.6	0	0	0	110.9	Y179 A182 E183 T186 V194 A214 L215 N220 A221	Y179-L217 HydrophobicContact CD2-CD1 4.27Å; Y179-L217 HydrophobicContact CE2-CD1 3.79Å; A182-L217 HydrophobicContact CB-CD1 4.13Å; E183-L217 HydrophobicContact CG-CD1 3.84Å; T186-L217 HydrophobicContact CG2-CD2 4.17Å; V194-L217 HydrophobicContact CG1-CB 3.98Å; A214-L217 VanDerWaalsContact O-CB 3.31Å; A214-L217 WeakPolarHBondContact O-CB 3.47Å; A214-L217 PolarHBondContact O-N 3.2Å; L215-L217 VanDerWaalsContact C-N 3.25Å; L215-L217 PolarHBondContact O-N 2.99Å; L217-N220 PolarHBondContact O-N 3.39Å; L217-A221 VanDerWaalsContact O-CB 3.32Å; L217-A221 WeakPolarHBondContact O-CB 3.47Å; L217-A221 PolarHBondContact O-N 3.22Å
218	M	98.5	Very high	97.7	Very high	9 Å²	9	49.5 Å²	49.5	4%	0.044	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-41.5	176.3	-172.7	-179.1	-174.2	0	0	112.2	V195 V198 E199 L202 A214 L215 A221 Y222 V234	V195-M218 HydrophobicContact CG1-CE 4.28Å; V195-M218 HydrophobicContact CG2-CG 4.36Å; V198-M218 HydrophobicContact CB-CB 3.93Å; V198-M218 HydrophobicContact CB-CG 4.27Å; V198-M218 HydrophobicContact CB-SD 4.07Å; V198-M218 HydrophobicContact CG1-CB 3.81Å; V198-M218 HydrophobicContact CG1-CG 4.28Å; V198-M218 HydrophobicContact CG1-SD 3.72Å; V198-M218 HydrophobicContact CG2-CB 4.17Å; E199-M218 HydrophobicContact CG-CE 3.45Å; E199-M218 VanDerWaalsContact CG-CE 3.45Å; L202-M218 HydrophobicContact CD1-CE 4.44Å; L202-M218 HydrophobicContact CD1-SD 4Å; A214-M218 PolarHBondContact O-N 2.89Å; L215-M218 WeakPolarHBondContact O-CB 2.94Å; L215-M218 PolarHBondContact O-N 2.86Å; L215-M218 VanDerWaalsContact O-N 3.14Å; M218-A221 PolarHBondContact O-N 2.91Å; M218-Y222 HydrophobicContact CE-CE2 3.59Å; M218-Y222 WeakPolarHBondContact CE-OH 3.29Å; M218-Y222 HydrophobicContact CG-CD2 4.1Å; M218-Y222 HydrophobicContact CG-CE2 3.68Å; M218-Y222 VanDerWaalsContact O-CD2 3.27Å; M218-Y222 WeakPolarHBondContact O-CD2 3.44Å; M218-Y222 PolarHBondContact O-N 3.06Å; M218-Y222 HydrophobicContact SD-CE2 4.3Å; M218-V234 HydrophobicContact CE-CG2 4.39Å; M218-V234 HydrophobicContact CG-CG2 4.12Å; M218-V234 HydrophobicContact SD-CG2 4.03Å
219	E	98.6	Very high	97.8	Very high	41 Å²	41	52.4 Å²	52.4	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-51.3	173.9	-173.5	-171.3	162.7	0	0	111	L215 P216 A221 Y222 R223 A231 V234 I238	L215-E219 PolarHBondContact O-N 2.75Å; P216-E219 PolarHBondContact O-N 3.38Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.81Å; E219-Y222 PolarHBondContact O-N 2.89Å; E219-R223 WeakPolarHBondContact O-CG 3.37Å; E219-R223 PolarHBondContact O-N 3.4Å; E219-R223 IonicContact OE1-CZ 2.88Å; E219-R223 VanDerWaalsContact OE1-CZ 3.25Å; E219-R223 IonicContact OE1-NE 3.01Å; E219-R223 PolarHBondContact OE1-NE 3.49Å; E219-R223 IonicContact OE1-NH2 3.42Å; E219-R223 PolarHBondContact OE1-NH2 3.2Å; E219-A231 HydrophobicContact CG-CB 4.18Å; E219-V234 HydrophobicContact CB-CB 4.26Å; E219-V234 HydrophobicContact CB-CG1 3.91Å; E219-I238 HydrophobicContact CB-CD1 4.49Å; E219-I238 WeakPolarHBondContact OE2-CD1 3.22Å
220	N	98.4	Very high	98	Very high	60 Å²	60	51.2 Å²	51.2	32%	0.321	26%	0.259	S	S	.	.	H	α-helix	trans	-58.3	-46.9	177.8	179.2	47.6	0	0	0	110.8	P216 L217 Y222 R223 Q224	P216-N220 WeakPolarHBondContact O-CB 3.36Å; P216-N220 PolarHBondContact O-N 2.91Å; L217-N220 PolarHBondContact O-N 3.39Å; N220-Y222 VanDerWaalsContact C-N 3.34Å; N220-Y222 PolarHBondContact O-N 3.5Å; N220-R223 PolarHBondContact O-N 3.17Å; N220-R223 VanDerWaalsContact O-N 3.09Å; N220-Q224 VanDerWaalsContact O-CG 3.26Å; N220-Q224 WeakPolarHBondContact O-CG 3.48Å; N220-Q224 PolarHBondContact O-N 3.14Å; N220-Q224 PolarHBondContact OD1-NE2 3.21Å
221	A	98.6	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-44.3	177.6	0	0	0	0	0	112.6	W191 V194 V195 L217 M218 E219 Q224 M225	W191-A221 HydrophobicContact CB-CB 4.06Å; W191-A221 HydrophobicContact CE3-CB 4.08Å; V194-A221 HydrophobicContact CB-CB 3.95Å; V194-A221 HydrophobicContact CG1-CB 3.91Å; V195-A221 HydrophobicContact CG2-CB 3.87Å; L217-A221 VanDerWaalsContact O-CB 3.32Å; L217-A221 WeakPolarHBondContact O-CB 3.47Å; L217-A221 PolarHBondContact O-N 3.22Å; M218-A221 PolarHBondContact O-N 2.91Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.81Å; A221-Q224 PolarHBondContact O-N 3.38Å; A221-M225 WeakPolarHBondContact O-CE 3.24Å; A221-M225 WeakPolarHBondContact O-CG 3.43Å; A221-M225 PolarHBondContact O-N 3.25Å
222	Y	98.7	Very high	98.1	Very high	21 Å²	21	55.3 Å²	55.3	8%	0.082	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-40.6	174.7	-75.6	-49.9	0	0	0	112.9	V195 E199 M218 E219 N220 M225 Q226 M227 Q230 V234	V195-Y222 HydrophobicContact CB-CE1 4.45Å; V195-Y222 HydrophobicContact CG1-CE1 3.81Å; V195-Y222 WeakPolarHBondContact CG1-OH 3.03Å; V195-Y222 HydrophobicContact CG2-CD1 4Å; V195-Y222 HydrophobicContact CG2-CE1 3.75Å; V195-Y222 HydrophobicContact CG2-CE2 4.44Å; V195-Y222 HydrophobicContact CG2-CG 4.42Å; E199-Y222 PolarHBondContact OE1-OH 3.17Å; M218-Y222 HydrophobicContact CE-CE2 3.59Å; M218-Y222 WeakPolarHBondContact CE-OH 3.29Å; M218-Y222 HydrophobicContact CG-CD2 4.1Å; M218-Y222 HydrophobicContact CG-CE2 3.68Å; M218-Y222 VanDerWaalsContact O-CD2 3.27Å; M218-Y222 WeakPolarHBondContact O-CD2 3.44Å; M218-Y222 PolarHBondContact O-N 3.06Å; M218-Y222 HydrophobicContact SD-CE2 4.3Å; E219-Y222 PolarHBondContact O-N 2.89Å; N220-Y222 VanDerWaalsContact C-N 3.34Å; N220-Y222 PolarHBondContact O-N 3.5Å; Y222-M225 HydrophobicContact CD1-CE 3.91Å; Y222-M225 HydrophobicContact CE1-CE 4.41Å; Y222-M225 CarbonylContact O-C 3.6Å; Y222-M225 PolarHBondContact O-N 2.85Å; Y222-Q226 PolarHBondContact O-N 3.01Å; Y222-M227 HydrophobicContact CD1-CB 4Å; Y222-M227 HydrophobicContact CD1-CE 4.18Å; Y222-M227 HydrophobicContact CD1-SD 4.02Å; Y222-M227 HydrophobicContact CE1-CE 4.12Å; Y222-M227 HydrophobicContact CE1-SD 4.39Å; Y222-M227 PolarHBondContact O-N 3.23Å; Y222-Q230 HydrophobicContact CD1-CB 3.74Å; Y222-Q230 HydrophobicContact CD1-CG 4.41Å; Y222-Q230 HydrophobicContact CD2-CB 3.77Å; Y222-Q230 HydrophobicContact CE1-CB 3.85Å; Y222-Q230 HydrophobicContact CE1-CG 4.2Å; Y222-Q230 HydrophobicContact CE2-CB 3.84Å; Y222-Q230 HydrophobicContact CG-CB 3.72Å; Y222-V234 HydrophobicContact CD2-CG2 3.88Å; Y222-V234 HydrophobicContact CE2-CG2 3.71Å
223	R	98.4	Very high	98.1	Very high	82 Å²	82	57.4 Å²	57.4	31%	0.309	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-41.7	176.6	-67.4	-173	-172.4	-72.8	1.4	111.5	E219 N220 M225 Q226 A231 E232	E219-R223 WeakPolarHBondContact O-CG 3.37Å; E219-R223 PolarHBondContact O-N 3.4Å; E219-R223 IonicContact OE1-CZ 2.88Å; E219-R223 VanDerWaalsContact OE1-CZ 3.25Å; E219-R223 IonicContact OE1-NE 3.01Å; E219-R223 PolarHBondContact OE1-NE 3.49Å; E219-R223 IonicContact OE1-NH2 3.42Å; E219-R223 PolarHBondContact OE1-NH2 3.2Å; N220-R223 PolarHBondContact O-N 3.17Å; N220-R223 VanDerWaalsContact O-N 3.09Å; R223-M225 VanDerWaalsContact C-N 3.28Å; R223-M225 PolarHBondContact O-N 2.79Å; R223-Q226 PolarHBondContact O-N 3.3Å; R223-A231 HydrophobicContact CG-CB 3.56Å; R223-E232 IonicContact CZ-OE1 2.71Å; R223-E232 IonicContact NH1-OE1 2.9Å; R223-E232 PolarHBondContact NH1-OE1 3.16Å; R223-E232 IonicContact NH2-OE1 3.38Å; R223-E232 PolarHBondContact NH2-OE1 3.3Å
224	Q	98.3	Very high	98.2	Very high	100 Å²	100	54.2 Å²	54.2	47%	0.467	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-33.3	176	-63.7	-64.5	-24.2	0	0	112.4	W191 N220 A221 Q226	W191-Q224 HydrophobicContact CD2-CB 3.73Å; W191-Q224 HydrophobicContact CD2-CG 3.97Å; W191-Q224 VanDerWaalsContact CE2-CB 3.49Å; W191-Q224 HydrophobicContact CE3-CB 4.47Å; W191-Q224 HydrophobicContact CE3-CG 4.33Å; W191-Q224 HydrophobicContact CG-CB 3.83Å; W191-Q224 HydrophobicContact CH2-CG 4.04Å; W191-Q224 HydrophobicContact CZ2-CB 4.07Å; W191-Q224 HydrophobicContact CZ2-CG 3.62Å; W191-Q224 HydrophobicContact CZ3-CG 4.36Å; N220-Q224 VanDerWaalsContact O-CG 3.26Å; N220-Q224 WeakPolarHBondContact O-CG 3.48Å; N220-Q224 PolarHBondContact O-N 3.14Å; N220-Q224 PolarHBondContact OD1-NE2 3.21Å; A221-Q224 PolarHBondContact O-N 3.38Å; Q224-Q226 VanDerWaalsContact C-N 3.26Å; Q224-Q226 PolarHBondContact O-N 3.47Å
225	M	98	Very high	98.1	Very high	52 Å²	52	55.3 Å²	55.3	26%	0.256	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	7.1	174.1	-65.5	-172.9	-65.5	0	0	114.1	W191 V192 V195 A221 Y222 R223 M227	W191-M225 HydrophobicContact CB-CE 4.21Å; W191-M225 HydrophobicContact CB-CG 3.58Å; W191-M225 HydrophobicContact CB-SD 3.74Å; W191-M225 HydrophobicContact CG-CG 4.23Å; V192-M225 HydrophobicContact CB-SD 4.49Å; V192-M225 HydrophobicContact CG2-SD 3.61Å; V195-M225 HydrophobicContact CG2-CE 3.62Å; A221-M225 WeakPolarHBondContact O-CE 3.24Å; A221-M225 WeakPolarHBondContact O-CG 3.43Å; A221-M225 PolarHBondContact O-N 3.25Å; Y222-M225 HydrophobicContact CD1-CE 3.91Å; Y222-M225 HydrophobicContact CE1-CE 4.41Å; Y222-M225 CarbonylContact O-C 3.6Å; Y222-M225 PolarHBondContact O-N 2.85Å; R223-M225 VanDerWaalsContact C-N 3.28Å; R223-M225 PolarHBondContact O-N 2.79Å; M225-M227 HydrophobicContact CB-CG 4.12Å; M225-M227 HydrophobicContact CB-SD 4.17Å; M225-M227 HydrophobicContact CE-SD 4.12Å; M225-M227 PolarHBondContact O-N 3.29Å
226	Q	98.1	Very high	98.1	Very high	148 Å²	148	62.5 Å²	62.5	69%	0.692	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	23.6	-177	-55.4	-65.8	-42.7	0	0	114.1	Y222 R223 Q224 N228	Y222-Q226 PolarHBondContact O-N 3.01Å; R223-Q226 PolarHBondContact O-N 3.3Å; Q224-Q226 VanDerWaalsContact C-N 3.26Å; Q224-Q226 PolarHBondContact O-N 3.47Å; Q226-N228 PolarHBondContact O-N 3.07Å
227	M	98.1	Very high	98	Very high	69 Å²	69	62.9 Å²	62.9	34%	0.34	31%	0.309	S	S	.	.			trans	-95.6	59	179.5	-65.1	179.1	69.8	0	0	111	Y222 M225 A229 Q230 A231	Y222-M227 HydrophobicContact CD1-CB 4Å; Y222-M227 HydrophobicContact CD1-CE 4.18Å; Y222-M227 HydrophobicContact CD1-SD 4.02Å; Y222-M227 HydrophobicContact CE1-CE 4.12Å; Y222-M227 HydrophobicContact CE1-SD 4.39Å; Y222-M227 PolarHBondContact O-N 3.23Å; M225-M227 HydrophobicContact CB-CG 4.12Å; M225-M227 HydrophobicContact CB-SD 4.17Å; M225-M227 HydrophobicContact CE-SD 4.12Å; M225-M227 PolarHBondContact O-N 3.29Å; M227-A229 VanDerWaalsContact C-N 3.29Å; M227-A229 PolarHBondContact O-N 3.11Å; M227-Q230 HydrophobicContact CB-CB 4.42Å; M227-Q230 HydrophobicContact CE-CG 4Å; M227-Q230 PolarHBondContact O-N 3.06Å; M227-Q230 VanDerWaalsContact O-N 3.1Å; M227-Q230 PolarHBondContact O-OE1 2.95Å; M227-A231 PolarHBondContact O-N 2.89Å; M227-A231 VanDerWaalsContact O-N 3.11Å
228	N	97.4	Very high	97.8	Very high	81 Å²	81	63.4 Å²	63.4	43%	0.433	31%	0.312	S	S	.	.	H	α-helix	trans	-59.3	-36	-171.6	-65.6	-50	0	0	0	113.3	Q226 Q230 A231 E232	Q226-N228 PolarHBondContact O-N 3.07Å; N228-Q230 VanDerWaalsContact C-N 3.26Å; N228-Q230 PolarHBondContact O-N 3.23Å; N228-A231 PolarHBondContact O-N 3.24Å; N228-E232 WeakPolarHBondContact O-CG 3.43Å; N228-E232 PolarHBondContact O-N 3.33Å
229	A	98.1	Very high	97.7	Very high	69 Å²	69	66.1 Å²	66.1	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-62	-34.4	178.9	0	0	0	0	0	112.8	M227 K233	M227-A229 VanDerWaalsContact C-N 3.29Å; M227-A229 PolarHBondContact O-N 3.11Å; A229-K233 WeakPolarHBondContact O-CG 3.5Å; A229-K233 PolarHBondContact O-N 3.06Å
230	Q	97.9	Very high	97.5	Very high	68 Å²	68	66.8 Å²	66.8	32%	0.318	35%	0.349	S	S	.	.	H	α-helix	trans	-77.5	-41.7	176.7	-69.4	76.6	-1.6	0	0	110.7	Y222 M227 N228 E232 K233 V234	Y222-Q230 HydrophobicContact CD1-CB 3.74Å; Y222-Q230 HydrophobicContact CD1-CG 4.41Å; Y222-Q230 HydrophobicContact CD2-CB 3.77Å; Y222-Q230 HydrophobicContact CE1-CB 3.85Å; Y222-Q230 HydrophobicContact CE1-CG 4.2Å; Y222-Q230 HydrophobicContact CE2-CB 3.84Å; Y222-Q230 HydrophobicContact CG-CB 3.72Å; M227-Q230 HydrophobicContact CB-CB 4.42Å; M227-Q230 HydrophobicContact CE-CG 4Å; M227-Q230 PolarHBondContact O-N 3.06Å; M227-Q230 VanDerWaalsContact O-N 3.1Å; M227-Q230 PolarHBondContact O-OE1 2.95Å; N228-Q230 VanDerWaalsContact C-N 3.26Å; N228-Q230 PolarHBondContact O-N 3.23Å; Q230-E232 VanDerWaalsContact C-N 3.31Å; Q230-E232 PolarHBondContact O-N 3.14Å; Q230-K233 WeakPolarHBondContact O-CB 3.5Å; Q230-K233 PolarHBondContact O-N 2.88Å; Q230-V234 PolarHBondContact O-N 3.41Å
231	A	98.1	Very high	97	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-55.5	-45.8	173.4	0	0	0	0	0	111.7	E219 R223 M227 N228 K233 V234 A235	E219-A231 HydrophobicContact CG-CB 4.18Å; R223-A231 HydrophobicContact CG-CB 3.56Å; M227-A231 PolarHBondContact O-N 2.89Å; M227-A231 VanDerWaalsContact O-N 3.11Å; N228-A231 PolarHBondContact O-N 3.24Å; A231-K233 VanDerWaalsContact C-N 3.28Å; A231-K233 PolarHBondContact O-N 3.16Å; A231-V234 PolarHBondContact O-N 3.38Å; A231-V234 VanDerWaalsContact O-N 3.12Å; A231-A235 PolarHBondContact O-N 3.42Å
232	E	98.1	Very high	96.2	Very high	92 Å²	92	70.2 Å²	70.2	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-29	177	-67.2	-51.8	131.8	0	0	113.3	R223 N228 Q230 K236	R223-E232 IonicContact CZ-OE1 2.71Å; R223-E232 IonicContact NH1-OE1 2.9Å; R223-E232 PolarHBondContact NH1-OE1 3.16Å; R223-E232 IonicContact NH2-OE1 3.38Å; R223-E232 PolarHBondContact NH2-OE1 3.3Å; N228-E232 WeakPolarHBondContact O-CG 3.43Å; N228-E232 PolarHBondContact O-N 3.33Å; Q230-E232 VanDerWaalsContact C-N 3.31Å; Q230-E232 PolarHBondContact O-N 3.14Å; E232-K236 WeakPolarHBondContact O-CG 3.34Å; E232-K236 PolarHBondContact O-N 2.92Å
233	K	98	Very high	94.4	Very high	144 Å²	144	73.4 Å²	73.4	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-68.3	-44.3	171.9	-71.4	176.3	-178.4	-175.7	0	111.1	A229 Q230 A231 K236 I237	A229-K233 WeakPolarHBondContact O-CG 3.5Å; A229-K233 PolarHBondContact O-N 3.06Å; Q230-K233 WeakPolarHBondContact O-CB 3.5Å; Q230-K233 PolarHBondContact O-N 2.88Å; A231-K233 VanDerWaalsContact C-N 3.28Å; A231-K233 PolarHBondContact O-N 3.16Å; K233-K236 PolarHBondContact O-N 3.03Å; K233-I237 WeakPolarHBondContact O-CG1 3.3Å; K233-I237 PolarHBondContact O-N 3.01Å
234	V	97.7	Very high	92.4	Very high	6 Å²	6	75.8 Å²	75.8	4%	0.036	42%	0.417	C	S	.	.	H	α-helix	trans	-64.1	-43.8	177.3	179.8	0	0	0	0	110.7	L215 M218 E219 Y222 Q230 A231 K236 I237 I238	L215-V234 HydrophobicContact CB-CG1 4.22Å; L215-V234 HydrophobicContact CD2-CG1 4.37Å; L215-V234 WeakPolarHBondContact O-CG1 3.36Å; M218-V234 HydrophobicContact CE-CG2 4.39Å; M218-V234 HydrophobicContact CG-CG2 4.12Å; M218-V234 HydrophobicContact SD-CG2 4.03Å; E219-V234 HydrophobicContact CB-CB 4.26Å; E219-V234 HydrophobicContact CB-CG1 3.91Å; Y222-V234 HydrophobicContact CD2-CG2 3.88Å; Y222-V234 HydrophobicContact CE2-CG2 3.71Å; Q230-V234 PolarHBondContact O-N 3.41Å; A231-V234 PolarHBondContact O-N 3.38Å; A231-V234 VanDerWaalsContact O-N 3.12Å; V234-K236 VanDerWaalsContact C-N 3.28Å; V234-K236 PolarHBondContact O-N 3.46Å; V234-I237 WeakPolarHBondContact O-CA 3.49Å; V234-I237 WeakPolarHBondContact O-CB 3.15Å; V234-I237 PolarHBondContact O-N 3.13Å; V234-I238 HydrophobicContact CG1-CD1 4.04Å; V234-I238 HydrophobicContact CG1-CG1 4.38Å; V234-I238 WeakPolarHBondContact O-CG1 3.39Å; V234-I238 PolarHBondContact O-N 3.35Å
235	A	97.3	Very high	90	Very high	23 Å²	23	78.7 Å²	78.7	19%	0.19	44%	0.441	C	S	.	.	H	α-helix	trans	-56.6	-40.4	176.5	0	0	0	0	0	112.5	A231 I237 I238 A239	A231-A235 PolarHBondContact O-N 3.42Å; A235-I237 PolarHBondContact O-N 3.46Å; A235-I238 PolarHBondContact O-N 2.9Å; A235-A239 WeakPolarHBondContact O-CB 3.32Å; A235-A239 PolarHBondContact O-N 2.91Å
236	K	97	Very high	89.6	Confident	155 Å²	155	80 Å²	80	67%	0.674	45%	0.451	S	S	*	.	H	α-helix	trans	-63.4	-38	173.3	-73.9	176.1	-177.9	-177.9	0	112.8	E232 K233 V234 A240	E232-K236 WeakPolarHBondContact O-CG 3.34Å; E232-K236 PolarHBondContact O-N 2.92Å; K233-K236 PolarHBondContact O-N 3.03Å; V234-K236 VanDerWaalsContact C-N 3.28Å; V234-K236 PolarHBondContact O-N 3.46Å; K236-A240 WeakPolarHBondContact O-CB 3.5Å; K236-A240 PolarHBondContact O-N 3.25Å
237	I	95.6	Very high	89.1	Confident	74 Å²	74	76.4 Å²	76.4	38%	0.379	44%	0.438	S	S	.	.	H	α-helix	trans	-67	-43.3	176.3	-63.2	168.2	0	0	0	110.2	L215 K233 V234 A235 A240 N241	L215-I237 HydrophobicContact CD1-CG2 3.82Å; K233-I237 WeakPolarHBondContact O-CG1 3.3Å; K233-I237 PolarHBondContact O-N 3.01Å; V234-I237 WeakPolarHBondContact O-CA 3.49Å; V234-I237 WeakPolarHBondContact O-CB 3.15Å; V234-I237 PolarHBondContact O-N 3.13Å; A235-I237 PolarHBondContact O-N 3.46Å; I237-A240 PolarHBondContact O-N 3.12Å; I237-N241 PolarHBondContact O-N 3.32Å; I237-N241 PolarHBondContact O-ND2 3.42Å
238	I	95.5	Very high	88.6	Confident	38 Å²	38	76.8 Å²	76.8	20%	0.195	44%	0.444	C	S	.	.	H	α-helix	trans	-58	-52.3	175.8	-65.9	168.1	0	0	0	109.6	L215 P216 E219 V234 A235 A240 N241 S242	L215-I238 HydrophobicContact CB-CD1 3.88Å; L215-I238 HydrophobicContact CB-CG1 3.52Å; L215-I238 HydrophobicContact CD1-CG1 3.98Å; L215-I238 HydrophobicContact CG-CG1 4.39Å; P216-I238 HydrophobicContact CG-CD1 4.2Å; E219-I238 HydrophobicContact CB-CD1 4.49Å; E219-I238 WeakPolarHBondContact OE2-CD1 3.22Å; V234-I238 HydrophobicContact CG1-CD1 4.04Å; V234-I238 HydrophobicContact CG1-CG1 4.38Å; V234-I238 WeakPolarHBondContact O-CG1 3.39Å; V234-I238 PolarHBondContact O-N 3.35Å; A235-I238 PolarHBondContact O-N 2.9Å; I238-A240 VanDerWaalsContact C-N 3.3Å; I238-A240 PolarHBondContact O-N 3.07Å; I238-N241 PolarHBondContact O-N 3Å; I238-S242 PolarHBondContact O-N 3.4Å; I238-S242 VanDerWaalsContact O-N 3.07Å; I238-S242 PolarHBondContact O-OG 3.39Å
239	A	95.3	Very high	88.1	Confident	65 Å²	65	76.6 Å²	76.6	54%	0.537	44%	0.444	S	S	.	.	H	α-helix	trans	-58.8	-38.5	-179.9	0	0	0	0	0	113.1	A235 N241	A235-A239 WeakPolarHBondContact O-CB 3.32Å; A235-A239 PolarHBondContact O-N 2.91Å; A239-N241 VanDerWaalsContact C-N 3.27Å; A239-N241 PolarHBondContact O-N 2.89Å
240	A	94.2	Very high	87.5	Confident	56 Å²	56	77.1 Å²	77.1	46%	0.463	44%	0.436	S	S	.	.	H	α-helix	trans	-68.4	-22.9	177.5	0	0	0	0	0	113.7	K236 I237 I238 S243 N244	K236-A240 WeakPolarHBondContact O-CB 3.5Å; K236-A240 PolarHBondContact O-N 3.25Å; I237-A240 PolarHBondContact O-N 3.12Å; I238-A240 VanDerWaalsContact C-N 3.3Å; I238-A240 PolarHBondContact O-N 3.07Å; A240-S243 PolarHBondContact O-OG 3.03Å; A240-N244 PolarHBondContact O-ND2 2.87Å
241	N	87.6	Confident	86.8	Confident	58 Å²	58	77.7 Å²	77.7	31%	0.31	44%	0.444	S	S	.	.	H	α-helix	trans	-91.3	-30.2	178.2	-75.1	-67.6	0	0	0	112.7	I237 I238 A239 S243 N244	I237-N241 PolarHBondContact O-N 3.32Å; I237-N241 PolarHBondContact O-ND2 3.42Å; I238-N241 PolarHBondContact O-N 3Å; A239-N241 VanDerWaalsContact C-N 3.27Å; A239-N241 PolarHBondContact O-N 2.89Å; N241-S243 PolarHBondContact O-N 2.96Å; N241-N244 PolarHBondContact O-N 2.9Å
242	S	82	Confident	86	Confident	74 Å²	74	83.2 Å²	83.2	52%	0.517	48%	0.476	S	S	.	.	H	α-helix	trans	-67.7	-20.8	177	-57.8	0	0	0	0	113.8	I238 N244 T245	I238-S242 PolarHBondContact O-N 3.4Å; I238-S242 VanDerWaalsContact O-N 3.07Å; I238-S242 PolarHBondContact O-OG 3.39Å; S242-N244 VanDerWaalsContact C-N 3.28Å; S242-N244 PolarHBondContact O-N 3.23Å; S242-T245 PolarHBondContact O-OG1 2.86Å
243	S	62.1	Low	85	Confident	88 Å²	88	82.5 Å²	82.5	62%	0.615	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.4	177	60.1	0	0	0	0	114.3	A240 N241	A240-S243 PolarHBondContact O-OG 3.03Å; N241-S243 PolarHBondContact O-N 2.96Å
244	N	56.9	Low	84	Confident	131 Å²	131	77.4 Å²	77.4	70%	0.701	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	10.7	-174.8	-68.5	-30.9	0	0	0	113.8	A240 N241 S242	A240-N244 PolarHBondContact O-ND2 2.87Å; N241-N244 PolarHBondContact O-N 2.9Å; S242-N244 VanDerWaalsContact C-N 3.28Å; S242-N244 PolarHBondContact O-N 3.23Å
245	T	46.2	Very low	82.7	Confident	161 Å²	161	83.9 Å²	83.9	99%	0.988	51%	0.506	S	S	*	.			trans	-121	0	173.5	43.2	0	0	0	0	109.8	S242	S242-T245 PolarHBondContact O-OG1 2.86Å

Retrieved 245 of 245 residues in 120.9 ms (Link to these results)

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