A0A077ZLC4_TRITR Loading...

Map kinase interacting serine threonine protein camk mapkapk mnk protein kinase

AlphaFold DB , UniProt , Accession A0A077ZLC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 403 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	31.1	Very low	30.7	Very low	247 Å²	247	160.9 Å²	160.9	100%	1.217	86%	0.862	S	S	*	*				0	18.5	0	-81	-176.3	169	0	0	113.6
2	C	28.8	Very low	30.5	Very low	135 Å²	135	157.5 Å²	157.5	91%	0.912	84%	0.843	S	S	*	*			trans	-129.4	55.5	-171.7	-67.2	0	0	0	0	113.4
3	A	31.6	Very low	30.3	Very low	91 Å²	91	158.7 Å²	158.7	75%	0.752	84%	0.836	S	S	*	*			trans	-134.4	23.7	-179	0	0	0	0	0	114.3
4	F	31	Very low	30.2	Very low	211 Å²	211	155.1 Å²	155.1	93%	0.925	82%	0.817	S	S	*	*			trans	-113.3	13.3	-175	-106.3	-86	0	0	0	115.8
5	V	31.8	Very low	30.4	Very low	150 Å²	150	149.9 Å²	149.9	91%	0.909	79%	0.794	S	S	*	*			trans	-117.7	45.2	-179.5	-162.5	0	0	0	0	111.6
6	S	31.9	Very low	31	Very low	103 Å²	103	143.2 Å²	143.2	72%	0.72	76%	0.76	S	S	*	*	S	Bend	trans	-113	14.9	-177.8	-160.8	0	0	0	0	115.2
7	F	33.2	Very low	31.4	Very low	191 Å²	191	144.9 Å²	144.9	84%	0.838	77%	0.77	S	S	*	*	S	Bend	trans	-137.9	8.9	-174.5	-109.3	-89.1	0	0	0	117.8
8	Y	30.4	Very low	32.4	Very low	222 Å²	222	140.7 Å²	140.7	87%	0.871	74%	0.741	S	S	*	*	S	Bend	trans	-116	11.8	-176.8	-91.2	-81.8	0	0	0	116.5
9	M	31.4	Very low	33.2	Very low	158 Å²	158	135.2 Å²	135.2	78%	0.778	71%	0.711	S	S	*	*			trans	-105.9	21.8	-177.5	-85	-71.3	179.3	0	0	114.9
10	L	28.7	Very low	33.8	Very low	155 Å²	155	134.7 Å²	134.7	81%	0.812	70%	0.7	S	S	*	*	S	Bend	trans	-110	18.1	-172	-113.6	137.6	0	0	0	115.7
11	S	28	Very low	34.2	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	69%	0.691	S	S	*	*	S	Bend	trans	-126.6	21.2	-176.5	61.2	0	0	0	0	116.6
12	L	28.7	Very low	34.7	Very low	120 Å²	120	124.3 Å²	124.3	63%	0.628	64%	0.642	S	S	*	*			trans	-137.4	37.4	176	-106.3	123.1	0	0	0	114	R21	L12-R21 VanDerWaalsContact CD2-NH1 3.35Å
13	F	27.5	Very low	35.5	Very low	173 Å²	173	123 Å²	123	76%	0.759	63%	0.634	S	S	*	*			trans	-76.7	135.2	164.9	-92.7	-96.9	0	0	0	109.6
14	L	28.4	Very low	36.2	Very low	109 Å²	109	124 Å²	124	57%	0.571	64%	0.636	S	S	*	*			trans	103.9	65.1	163.8	-52.6	146.6	0	0	0	116.9
15	V	34	Very low	37.2	Very low	77 Å²	77	115.8 Å²	115.8	47%	0.467	60%	0.603	S	S	.	*	S	Bend	trans	-135.7	100.8	141.8	-179.2	0	0	0	0	106.9
16	T	39.1	Very low	38.1	Very low	42 Å²	42	110.8 Å²	110.8	26%	0.258	58%	0.582	S	S	.	*			trans	52.7	129	179.1	65.8	0	0	0	0	115.7	R18 F19 L127	T16-R18 PolarHBondContact O-N 3.26Å; T16-F19 PolarHBondContact O-N 3.13Å; T16-F19 WeakPolarHBondContact OG1-CD2 3.42Å; T16-L127 HydrophobicContact CG2-CD2 4.5Å
17	N	38.5	Very low	39.6	Very low	172 Å²	172	110.5 Å²	110.5	92%	0.92	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	20.5	-175.9	-113.1	-37.1	0	0	0	115.6
18	R	48.6	Very low	41.5	Very low	69 Å²	69	105 Å²	105	26%	0.26	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.6	-12.1	-172.8	-79.8	161.8	-179.5	-116.5	-2.1	114.3	T16 K32 Y36 D141 D143	T16-R18 PolarHBondContact O-N 3.26Å; R18-K32 HydrophobicContact CB-CD 4.12Å; R18-K32 HydrophobicContact CB-CG 4.07Å; R18-K32 HydrophobicContact CG-CD 4.38Å; R18-K32 HydrophobicContact CG-CG 4.41Å; R18-K32 WeakPolarHBondContact O-CA 3.47Å; R18-K32 WeakPolarHBondContact O-CB 3.05Å; R18-K32 WeakPolarHBondContact O-CG 3.34Å; R18-Y36 PolarHBondContact NH2-OH 3.03Å; R18-D141 WeakPolarHBondContact CD-OD2 3.4Å; R18-D141 IonicContact CZ-OD1 3.19Å; R18-D141 IonicContact CZ-OD2 3.71Å; R18-D141 IonicContact NE-OD2 3.79Å; R18-D141 PolarHBondContact NE-OD2 2.98Å; R18-D141 IonicContact NH1-OD1 2.66Å; R18-D141 PolarHBondContact NH1-OD1 3.17Å; R18-D141 IonicContact NH1-OD2 3.8Å; R18-D141 PolarHBondContact NH1-OD2 2.81Å; R18-D141 IonicContact NH2-OD2 3.98Å; R18-D143 IonicContact CZ-OD2 2.66Å; R18-D143 VanDerWaalsContact CZ-OD2 3.23Å; R18-D143 IonicContact NH1-OD1 3.91Å; R18-D143 PolarHBondContact NH1-OD1 3.36Å; R18-D143 IonicContact NH1-OD2 3.79Å; R18-D143 PolarHBondContact NH1-OD2 2.73Å; R18-D143 IonicContact NH2-OD2 3.58Å; R18-D143 PolarHBondContact NH2-OD2 3.23Å
19	F	48.3	Very low	43.8	Very low	36 Å²	36	95.6 Å²	95.6	16%	0.158	52%	0.524	C	S	.	.			trans	-121.9	101.3	-175.8	-71.5	-80.7	0	0	0	111.1	T16 S30 Y31 K32 F74	T16-F19 PolarHBondContact O-N 3.13Å; T16-F19 WeakPolarHBondContact OG1-CD2 3.42Å; F19-S30 WeakPolarHBondContact CD1-OG 3.38Å; F19-Y31 CarbonylContact C-O 3.59Å; F19-Y31 VanDerWaalsContact CA-O 3.29Å; F19-Y31 WeakPolarHBondContact CA-O 3.2Å; F19-K32 HydrophobicContact CE1-CB 4.44Å; F19-F74 HydrophobicContact CD1-CD2 4.35Å; F19-F74 HydrophobicContact CE1-CB 3.89Å; F19-F74 AromaticContact CE1-CD2 3.38Å; F19-F74 HydrophobicContact CE1-CD2 3.38Å; F19-F74 AromaticContact CE1-CE2 3.95Å; F19-F74 HydrophobicContact CE1-CE2 3.95Å; F19-F74 AromaticContact CE1-CG 3.78Å; F19-F74 HydrophobicContact CE1-CG 3.78Å; F19-F74 HydrophobicContact CZ-CD2 4.08Å; F19-F74 HydrophobicContact CZ-CE2 4.31Å; F19-F74 HydrophobicContact CZ-CG 4.37Å
20	Y	44.1	Very low	46.1	Very low	125 Å²	125	88.7 Å²	88.7	49%	0.49	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-82.4	145.7	177.9	-66.6	-90.5	0	0	0	110.5	Y31 I33	Y20-Y31 VanDerWaalsContact CB-CE2 3.41Å; Y20-Y31 WeakPolarHBondContact CB-OH 3.05Å; Y20-Y31 HydrophobicContact CD2-CD2 4.13Å; Y20-Y31 AromaticContact CD2-CE2 3.68Å; Y20-Y31 HydrophobicContact CD2-CE2 3.68Å; Y20-Y31 HydrophobicContact CG-CD2 4.45Å; Y20-Y31 HydrophobicContact CG-CE1 4.33Å; Y20-Y31 AromaticContact CG-CE2 3.74Å; Y20-Y31 HydrophobicContact CG-CE2 3.74Å; Y20-Y31 AromaticContact CG-CZ 3.69Å; Y20-Y31 PolarHBondContact N-O 2.79Å; Y20-Y31 WeakPolarHBondContact O-CD1 3.18Å; Y20-Y31 VanDerWaalsContact O-CE1 3.29Å; Y20-Y31 WeakPolarHBondContact O-CE1 3.29Å; Y20-Y31 PolarHBondContact O-N 2.93Å; Y20-I33 HydrophobicContact CD2-CD1 4.22Å; Y20-I33 HydrophobicContact CD2-CG1 4.16Å; Y20-I33 HydrophobicContact CE2-CB 4.43Å; Y20-I33 HydrophobicContact CE2-CD1 3.93Å; Y20-I33 HydrophobicContact CE2-CG1 4.02Å
21	R	44.2	Very low	48.5	Very low	138 Å²	138	83.6 Å²	83.6	52%	0.521	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-83.9	119.2	167	-166.8	175.8	-172	-177.4	2.6	107.5	L12 D27	L12-R21 VanDerWaalsContact CD2-NH1 3.35Å; R21-D27 IonicContact CZ-OD1 3.79Å; R21-D27 IonicContact NE-OD1 2.88Å; R21-D27 IonicContact NH2-OD1 3.91Å; R21-D27 PolarHBondContact NH2-OD1 3.3Å; R21-D27 IonicContact NH2-OD2 3.44Å
22	S	40.1	Very low	50.9	Low	26 Å²	26	78.6 Å²	78.6	18%	0.182	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-96.3	141.2	168.9	-174.9	0	0	0	0	108.9	S24 V25	S22-S24 VanDerWaalsContact C-N 3.28Å; S22-S24 PolarHBondContact OG-N 2.64Å; S22-S24 PolarHBondContact OG-OG 2.94Å; S22-V25 PolarHBondContact OG-N 3.37Å
23	S	46	Very low	53.3	Low	108 Å²	108	75.5 Å²	75.5	76%	0.755	41%	0.41	S	S	*	.	S	Bend	trans	-76.5	-19.5	167.1	-45.7	0	0	0	0	112
24	S	46.6	Very low	55.5	Low	111 Å²	111	67.5 Å²	67.5	78%	0.776	38%	0.375	S	S	*	.	S	Bend	trans	-95.6	-22.8	-179.6	58	0	0	0	0	113.7	S22	S22-S24 VanDerWaalsContact C-N 3.28Å; S22-S24 PolarHBondContact OG-N 2.64Å; S22-S24 PolarHBondContact OG-OG 2.94Å
25	V	52.7	Low	57.5	Low	40 Å²	40	68.6 Å²	68.6	24%	0.242	38%	0.381	C	S	.	.	S	Bend	trans	-92.3	117.5	169.1	-168.7	0	0	0	0	105.8	S22 C29 I73	S22-V25 PolarHBondContact OG-N 3.37Å; V25-C29 HydrophobicContact CG1-CB 3.62Å; V25-I73 HydrophobicContact CG1-CG2 4.39Å
26	G	50.5	Low	59.3	Low	45 Å²	45	68.8 Å²	68.8	46%	0.464	37%	0.374	S	S	.	.			trans	-48	158.2	-173.8	0	0	0	0	0	113.6	S28 C29	G26-S28 PolarHBondContact O-N 3.02Å; G26-C29 PolarHBondContact O-N 3.43Å; G26-C29 VanDerWaalsContact O-N 3.13Å
27	D	63.7	Low	61.1	Low	97 Å²	97	71.6 Å²	71.6	52%	0.519	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-0	-173.6	-109.3	-26.3	0	0	0	115.5	R21 K76	R21-D27 IonicContact CZ-OD1 3.79Å; R21-D27 IonicContact NE-OD1 2.88Å; R21-D27 IonicContact NH2-OD1 3.91Å; R21-D27 PolarHBondContact NH2-OD1 3.3Å; R21-D27 IonicContact NH2-OD2 3.44Å; D27-K76 WeakPolarHBondContact O-CD 3.25Å; D27-K76 PolarHBondContact O-NZ 3.06Å; D27-K76 IonicContact OD1-NZ 2.89Å; D27-K76 PolarHBondContact OD1-NZ 2.8Å
28	S	72.1	Confident	63.2	Low	76 Å²	76	69.8 Å²	69.8	53%	0.531	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-14.8	178.5	53.1	0	0	0	0	115.6	G26 K76	G26-S28 PolarHBondContact O-N 3.02Å; S28-K76 WeakPolarHBondContact O-CB 3.45Å; S28-K76 PolarHBondContact O-N 3.46Å; S28-K76 VanDerWaalsContact O-N 3.15Å
29	C	79.1	Confident	64.7	Low	23 Å²	23	74 Å²	74	16%	0.155	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	165.3	-173.5	-50.4	0	0	0	0	113.1	V25 G26 I61 I73 F74	V25-C29 HydrophobicContact CG1-CB 3.62Å; G26-C29 PolarHBondContact O-N 3.43Å; G26-C29 VanDerWaalsContact O-N 3.13Å; C29-I61 HydrophobicContact CB-CD1 4.39Å; C29-I73 HydrophobicContact CB-CG2 3.82Å; C29-F74 WeakPolarHBondContact CA-O 3.06Å
30	S	80.4	Confident	66.1	Low	14 Å²	14	75.4 Å²	75.4	10%	0.098	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.1	172.6	65	0	0	0	0	109.4	F19 I73 F74 E75	F19-S30 WeakPolarHBondContact CD1-OG 3.38Å; S30-I73 CarbonylContact O-C 3.45Å; S30-I73 WeakPolarHBondContact O-CA 3.39Å; S30-F74 PolarHBondContact N-O 3.13Å; S30-F74 PolarHBondContact O-N 3.49Å; S30-E75 PolarHBondContact OG-O 3.37Å
31	Y	78	Confident	67.9	Low	47 Å²	47	69.5 Å²	69.5	18%	0.184	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.3	-178.1	73.6	-89	0	0	0	113.7	F19 Y20 I33 F71 L72 I73	F19-Y31 CarbonylContact C-O 3.59Å; F19-Y31 VanDerWaalsContact CA-O 3.29Å; F19-Y31 WeakPolarHBondContact CA-O 3.2Å; Y20-Y31 VanDerWaalsContact CB-CE2 3.41Å; Y20-Y31 WeakPolarHBondContact CB-OH 3.05Å; Y20-Y31 HydrophobicContact CD2-CD2 4.13Å; Y20-Y31 AromaticContact CD2-CE2 3.68Å; Y20-Y31 HydrophobicContact CD2-CE2 3.68Å; Y20-Y31 HydrophobicContact CG-CD2 4.45Å; Y20-Y31 HydrophobicContact CG-CE1 4.33Å; Y20-Y31 AromaticContact CG-CE2 3.74Å; Y20-Y31 HydrophobicContact CG-CE2 3.74Å; Y20-Y31 AromaticContact CG-CZ 3.69Å; Y20-Y31 PolarHBondContact N-O 2.79Å; Y20-Y31 WeakPolarHBondContact O-CD1 3.18Å; Y20-Y31 VanDerWaalsContact O-CE1 3.29Å; Y20-Y31 WeakPolarHBondContact O-CE1 3.29Å; Y20-Y31 PolarHBondContact O-N 2.93Å; Y31-I33 HydrophobicContact CD2-CG1 3.99Å; Y31-I33 HydrophobicContact CE2-CD1 3.92Å; Y31-I33 HydrophobicContact CE2-CG1 3.84Å; Y31-F71 HydrophobicContact CD2-CD1 4.49Å; Y31-L72 CarbonylContact C-O 3.56Å; Y31-L72 VanDerWaalsContact CA-O 3.26Å; Y31-L72 WeakPolarHBondContact CA-O 3.4Å; Y31-I73 VanDerWaalsContact CB-CD1 3.47Å
32	K	78.8	Confident	69.8	Low	3 Å²	3	66.3 Å²	66.3	1%	0.013	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.3	178.1	-174.2	176.1	178.5	-163.4	0	110.5	R18 F19 H34 E44 F71 L72 F74 D141 D143	R18-K32 HydrophobicContact CB-CD 4.12Å; R18-K32 HydrophobicContact CB-CG 4.07Å; R18-K32 HydrophobicContact CG-CD 4.38Å; R18-K32 HydrophobicContact CG-CG 4.41Å; R18-K32 WeakPolarHBondContact O-CA 3.47Å; R18-K32 WeakPolarHBondContact O-CB 3.05Å; R18-K32 WeakPolarHBondContact O-CG 3.34Å; F19-K32 HydrophobicContact CE1-CB 4.44Å; K32-H34 WeakPolarHBondContact CE-CE1 3.33Å; K32-H34 WeakPolarHBondContact CE-NE2 3.44Å; K32-H34 PolarHBondContact NZ-CE1 3.37Å; K32-H34 PolarHBondContact NZ-NE2 3.27Å; K32-E44 IonicContact NZ-OE1 3.03Å; K32-E44 PolarHBondContact NZ-OE1 2.79Å; K32-E44 IonicContact NZ-OE2 3.9Å; K32-F71 WeakPolarHBondContact O-CA 3.44Å; K32-L72 PolarHBondContact N-O 2.82Å; K32-L72 PolarHBondContact O-N 3.33Å; K32-F74 HydrophobicContact CB-CE2 4.06Å; K32-F74 HydrophobicContact CD-CE2 4.44Å; K32-D141 IonicContact NZ-OD1 3.56Å; K32-D141 PolarHBondContact NZ-OD1 3.29Å; K32-D143 IonicContact NZ-OD1 3.64Å; K32-D143 PolarHBondContact NZ-OD1 3.03Å
33	I	78.3	Confident	71.7	Confident	55 Å²	55	69.2 Å²	69.2	28%	0.282	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.6	175.4	-51.5	178.1	0	0	0	108.3	Y20 Y31 K69 F70 F71	Y20-I33 HydrophobicContact CD2-CD1 4.22Å; Y20-I33 HydrophobicContact CD2-CG1 4.16Å; Y20-I33 HydrophobicContact CE2-CB 4.43Å; Y20-I33 HydrophobicContact CE2-CD1 3.93Å; Y20-I33 HydrophobicContact CE2-CG1 4.02Å; Y31-I33 HydrophobicContact CD2-CG1 3.99Å; Y31-I33 HydrophobicContact CE2-CD1 3.92Å; Y31-I33 HydrophobicContact CE2-CG1 3.84Å; I33-K69 HydrophobicContact CG2-CB 4.4Å; I33-K69 HydrophobicContact CG2-CD 4.4Å; I33-F70 WeakPolarHBondContact CA-O 3.45Å; I33-F71 HydrophobicContact CD1-CD1 4.45Å; I33-F71 HydrophobicContact CD1-CE1 3.98Å; I33-F71 HydrophobicContact CG1-CD1 3.94Å; I33-F71 HydrophobicContact CG1-CE1 3.94Å
34	H	74.1	Confident	73.6	Confident	5 Å²	5	64.2 Å²	64.2	2%	0.023	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.7	173.8	-71.3	110.6	0	0	0	112.2	K32 Y36 V41 E44 F70 D143	K32-H34 WeakPolarHBondContact CE-CE1 3.33Å; K32-H34 WeakPolarHBondContact CE-NE2 3.44Å; K32-H34 PolarHBondContact NZ-CE1 3.37Å; K32-H34 PolarHBondContact NZ-NE2 3.27Å; H34-Y36 HydrophobicContact CB-CD2 4.42Å; H34-Y36 AromaticContact CD2-CD2 3.33Å; H34-Y36 WeakPolarHBondContact CD2-CD2 3.11Å; H34-Y36 AromaticContact CD2-CE2 3.52Å; H34-V41 HydrophobicContact CB-CG2 3.72Å; H34-E44 VanDerWaalsContact CE1-CD 3.48Å; H34-E44 IonicContact CE1-OE1 2.93Å; H34-E44 PolarHBondContact CE1-OE1 3.47Å; H34-E44 IonicContact CE1-OE2 2.79Å; H34-E44 PolarHBondContact CE1-OE2 3.43Å; H34-E44 IonicContact ND1-OE2 2.92Å; H34-E44 IonicContact NE2-OE1 3.37Å; H34-E44 IonicContact NE2-OE2 2.64Å; H34-E44 PolarHBondContact NE2-OE2 3.4Å; H34-F70 HydrophobicContact CB-CB 4.44Å; H34-F70 PolarHBondContact N-O 3.35Å; H34-F70 PolarHBondContact O-N 2.73Å; H34-D143 IonicContact CD2-OD1 3.74Å; H34-D143 IonicContact CE1-OD1 3.49Å; H34-D143 IonicContact NE2-OD1 3.55Å; H34-D143 PolarHBondContact NE2-OD1 2.83Å
35	N	70.2	Confident	75.4	Confident	131 Å²	131	59.3 Å²	59.3	70%	0.701	30%	0.297	S	S	*	.			trans	-107.4	18.1	168.1	-60.4	-36	0	0	0	111.6
36	Y	71.2	Confident	77	Confident	82 Å²	82	61.2 Å²	61.2	32%	0.322	30%	0.303	S	S	.	.	S	Bend	trans	-77.9	168	178.7	-66.8	-52.6	0	0	0	111.9	R18 H34 R38 D143	R18-Y36 PolarHBondContact NH2-OH 3.03Å; H34-Y36 HydrophobicContact CB-CD2 4.42Å; H34-Y36 AromaticContact CD2-CD2 3.33Å; H34-Y36 WeakPolarHBondContact CD2-CD2 3.11Å; H34-Y36 AromaticContact CD2-CE2 3.52Å; Y36-R38 PolarHBondContact O-N 3.38Å; Y36-D143 WeakPolarHBondContact CE2-OD2 3.3Å
37	T	78.2	Confident	78.7	Confident	100 Å²	100	59 Å²	59	61%	0.613	28%	0.281	S	S	*	.			trans	-53.4	136.1	171.1	62.3	0	0	0	0	110.5	K39 R40 V41	T37-K39 PolarHBondContact O-N 2.93Å; T37-R40 WeakPolarHBondContact O-CB 3.47Å; T37-R40 PolarHBondContact O-N 3.22Å; T37-V41 PolarHBondContact O-N 3.11Å
38	R	81.3	Confident	79.9	Confident	134 Å²	134	54.7 Å²	54.7	51%	0.506	26%	0.258	S	S	.	.	H	α-helix	trans	-46.2	-39.9	177.6	176.6	164.6	178.1	134.7	5.5	112.5	Y36 R40 V41 W42 E65 F70	Y36-R38 PolarHBondContact O-N 3.38Å; R38-R40 VanDerWaalsContact C-N 3.35Å; R38-R40 PolarHBondContact O-N 2.88Å; R38-V41 PolarHBondContact O-N 3.31Å; R38-W42 VanDerWaalsContact CG-CD1 3.42Å; R38-W42 WeakPolarHBondContact O-CB 3.43Å; R38-W42 PolarHBondContact O-N 2.97Å; R38-E65 IonicContact CZ-OE1 3.77Å; R38-E65 IonicContact CZ-OE2 2.65Å; R38-E65 IonicContact NH1-OE1 2.7Å; R38-E65 PolarHBondContact NH1-OE1 3.26Å; R38-E65 IonicContact NH1-OE2 2.73Å; R38-E65 PolarHBondContact NH1-OE2 3.41Å; R38-E65 IonicContact NH2-OE2 3.67Å; R38-E65 PolarHBondContact NH2-OE2 3.46Å; R38-F70 HydrophobicContact CB-CE2 4.21Å; R38-F70 HydrophobicContact CB-CZ 4.26Å; R38-F70 HydrophobicContact CG-CE2 4.28Å; R38-F70 HydrophobicContact CG-CZ 3.82Å
39	K	81	Confident	80.6	Confident	157 Å²	157	59.4 Å²	59.4	68%	0.683	27%	0.265	S	S	*	.	H	α-helix	trans	-60.4	-38.1	176.9	-173.8	176.5	-178.6	177.7	0	113.6	T37 R43	T37-K39 PolarHBondContact O-N 2.93Å; K39-R43 PolarHBondContact O-N 2.92Å
40	R	78.1	Confident	81.1	Confident	67 Å²	67	63.4 Å²	63.4	25%	0.253	28%	0.277	S	S	.	.	H	α-helix	trans	-71.5	-46.7	179.3	-175.1	175	-177.6	-179.5	-3.5	110.8	T37 R38 W42 R43 E44 D143	T37-R40 WeakPolarHBondContact O-CB 3.47Å; T37-R40 PolarHBondContact O-N 3.22Å; R38-R40 VanDerWaalsContact C-N 3.35Å; R38-R40 PolarHBondContact O-N 2.88Å; R40-W42 PolarHBondContact O-N 3.44Å; R40-R43 WeakPolarHBondContact O-CB 3.21Å; R40-R43 PolarHBondContact O-N 2.86Å; R40-E44 PolarHBondContact O-N 3.48Å; R40-D143 PolarHBondContact NE-O 3.46Å; R40-D143 PolarHBondContact NH2-O 2.93Å; R40-D143 IonicContact NH2-OD2 2.71Å
41	V	82.1	Confident	81.5	Confident	0 Å²	0	63 Å²	63	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-42.5	-179.8	-173.2	0	0	0	0	111.3	H34 T37 R38 R43 E44 I45 F70 L72	H34-V41 HydrophobicContact CB-CG2 3.72Å; T37-V41 PolarHBondContact O-N 3.11Å; R38-V41 PolarHBondContact O-N 3.31Å; V41-R43 VanDerWaalsContact C-N 3.26Å; V41-R43 PolarHBondContact O-N 2.88Å; V41-E44 WeakPolarHBondContact O-CB 3.29Å; V41-E44 PolarHBondContact O-N 2.66Å; V41-E44 VanDerWaalsContact O-N 3.11Å; V41-I45 HydrophobicContact CG1-CD1 3.96Å; V41-I45 HydrophobicContact CG1-CG1 4.34Å; V41-I45 WeakPolarHBondContact O-CG1 3.36Å; V41-I45 PolarHBondContact O-N 2.9Å; V41-F70 HydrophobicContact CB-CD2 4.05Å; V41-F70 HydrophobicContact CB-CE2 4.45Å; V41-F70 HydrophobicContact CB-CG 4.13Å; V41-F70 HydrophobicContact CG1-CB 3.66Å; V41-F70 HydrophobicContact CG1-CD1 3.93Å; V41-F70 HydrophobicContact CG1-CD2 4.01Å; V41-F70 HydrophobicContact CG1-CG 3.59Å; V41-F70 HydrophobicContact CG2-CD2 3.97Å; V41-F70 HydrophobicContact CG2-CG 4.37Å; V41-L72 HydrophobicContact CG1-CD1 3.95Å
42	W	82.9	Confident	81.8	Confident	71 Å²	71	64.6 Å²	64.6	27%	0.269	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-37.2	175.6	-88.3	113.4	0	0	0	113.4	R38 R40 I45 Q46 Y63	R38-W42 VanDerWaalsContact CG-CD1 3.42Å; R38-W42 WeakPolarHBondContact O-CB 3.43Å; R38-W42 PolarHBondContact O-N 2.97Å; R40-W42 PolarHBondContact O-N 3.44Å; W42-I45 HydrophobicContact CE3-CB 4.45Å; W42-I45 HydrophobicContact CE3-CD1 4.37Å; W42-I45 HydrophobicContact CE3-CG2 4.38Å; W42-I45 HydrophobicContact CZ3-CG2 4.29Å; W42-I45 PolarHBondContact O-N 3.03Å; W42-Q46 WeakPolarHBondContact O-CB 3.47Å; W42-Q46 VanDerWaalsContact O-CG 3.23Å; W42-Q46 WeakPolarHBondContact O-CG 3.42Å; W42-Q46 PolarHBondContact O-N 2.84Å; W42-Y63 AromaticContact CH2-CE2 3.72Å; W42-Y63 HydrophobicContact CH2-CE2 3.72Å; W42-Y63 AromaticContact CH2-CZ 3.75Å; W42-Y63 WeakPolarHBondContact CH2-OH 3.41Å; W42-Y63 HydrophobicContact CZ2-CE2 4.4Å; W42-Y63 HydrophobicContact CZ3-CE2 4.22Å
43	R	81.5	Confident	82.3	Confident	87 Å²	87	67.7 Å²	67.7	33%	0.328	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-40.9	176.5	-170.6	-173.3	-61.6	138.3	-2.6	111.6	K39 R40 V41 Q46 T47	K39-R43 PolarHBondContact O-N 2.92Å; R40-R43 WeakPolarHBondContact O-CB 3.21Å; R40-R43 PolarHBondContact O-N 2.86Å; V41-R43 VanDerWaalsContact C-N 3.26Å; V41-R43 PolarHBondContact O-N 2.88Å; R43-Q46 PolarHBondContact O-N 3.29Å; R43-T47 WeakPolarHBondContact O-CB 3.09Å; R43-T47 PolarHBondContact O-N 2.82Å; R43-T47 PolarHBondContact O-OG1 3.43Å
44	E	84.2	Confident	83.1	Confident	3 Å²	3	66.1 Å²	66.1	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-47.2	176.4	-174.6	-177	175	0	0	111	K32 H34 R40 V41 Q46 T47 F48 D143	K32-E44 IonicContact NZ-OE1 3.03Å; K32-E44 PolarHBondContact NZ-OE1 2.79Å; K32-E44 IonicContact NZ-OE2 3.9Å; H34-E44 VanDerWaalsContact CE1-CD 3.48Å; H34-E44 IonicContact CE1-OE1 2.93Å; H34-E44 PolarHBondContact CE1-OE1 3.47Å; H34-E44 IonicContact CE1-OE2 2.79Å; H34-E44 PolarHBondContact CE1-OE2 3.43Å; H34-E44 IonicContact ND1-OE2 2.92Å; H34-E44 IonicContact NE2-OE1 3.37Å; H34-E44 IonicContact NE2-OE2 2.64Å; H34-E44 PolarHBondContact NE2-OE2 3.4Å; R40-E44 PolarHBondContact O-N 3.48Å; V41-E44 WeakPolarHBondContact O-CB 3.29Å; V41-E44 PolarHBondContact O-N 2.66Å; V41-E44 VanDerWaalsContact O-N 3.11Å; E44-Q46 VanDerWaalsContact C-N 3.34Å; E44-Q46 PolarHBondContact O-N 2.96Å; E44-T47 WeakPolarHBondContact O-CB 3.14Å; E44-T47 PolarHBondContact O-N 2.8Å; E44-T47 VanDerWaalsContact O-N 3.13Å; E44-F48 HydrophobicContact CG-CD2 3.87Å; E44-F48 HydrophobicContact CG-CE2 3.68Å; E44-F48 WeakPolarHBondContact O-CD2 3.36Å; E44-F48 PolarHBondContact O-N 2.83Å; E44-D143 VanDerWaalsContact OE1-OD1 3.08Å
45	I	85.6	Confident	84.1	Confident	9 Å²	9	69.7 Å²	69.7	5%	0.046	34%	0.34	C	S	.	.	H	α-helix	trans	-56.9	-47.3	175.1	-67.1	169.6	0	0	0	110.8	V41 W42 T47 F48 Y49 L60 Y63 F70 L72	V41-I45 HydrophobicContact CG1-CD1 3.96Å; V41-I45 HydrophobicContact CG1-CG1 4.34Å; V41-I45 WeakPolarHBondContact O-CG1 3.36Å; V41-I45 PolarHBondContact O-N 2.9Å; W42-I45 HydrophobicContact CE3-CB 4.45Å; W42-I45 HydrophobicContact CE3-CD1 4.37Å; W42-I45 HydrophobicContact CE3-CG2 4.38Å; W42-I45 HydrophobicContact CZ3-CG2 4.29Å; W42-I45 PolarHBondContact O-N 3.03Å; I45-T47 VanDerWaalsContact C-N 3.31Å; I45-T47 PolarHBondContact O-N 2.86Å; I45-F48 PolarHBondContact O-N 2.7Å; I45-Y49 WeakPolarHBondContact O-CB 3.26Å; I45-Y49 PolarHBondContact O-N 2.93Å; I45-L60 HydrophobicContact CB-CD2 4.46Å; I45-L60 HydrophobicContact CG1-CD2 4.44Å; I45-L60 HydrophobicContact CG2-CD2 4.08Å; I45-Y63 HydrophobicContact CD1-CD1 4.46Å; I45-Y63 HydrophobicContact CD1-CD2 3.92Å; I45-Y63 HydrophobicContact CD1-CE2 4.46Å; I45-Y63 HydrophobicContact CD1-CG 3.94Å; I45-Y63 HydrophobicContact CG2-CD1 4Å; I45-Y63 HydrophobicContact CG2-CE1 4.11Å; I45-F70 HydrophobicContact CD1-CD1 4.4Å; I45-L72 HydrophobicContact CD1-CD1 4.29Å; I45-L72 HydrophobicContact CG1-CD1 4.36Å; I45-L72 HydrophobicContact CG1-CD2 3.9Å; I45-L72 HydrophobicContact CG1-CG 4.14Å
46	Q	86.7	Confident	85.4	Confident	79 Å²	79	64 Å²	64	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-41	176.8	-76.9	175.6	-28.3	0	0	112.3	W42 R43 E44 Y49 W50	W42-Q46 WeakPolarHBondContact O-CB 3.47Å; W42-Q46 VanDerWaalsContact O-CG 3.23Å; W42-Q46 WeakPolarHBondContact O-CG 3.42Å; W42-Q46 PolarHBondContact O-N 2.84Å; R43-Q46 PolarHBondContact O-N 3.29Å; E44-Q46 VanDerWaalsContact C-N 3.34Å; E44-Q46 PolarHBondContact O-N 2.96Å; Q46-Y49 WeakPolarHBondContact O-CB 3.4Å; Q46-Y49 PolarHBondContact O-N 3.32Å; Q46-W50 PolarHBondContact O-N 3.01Å
47	T	86.2	Confident	86.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-46.7	178.9	-56.7	0	0	0	0	110.6	R43 E44 I45 Y49 W50 C51 I116 L142 A145	R43-T47 WeakPolarHBondContact O-CB 3.09Å; R43-T47 PolarHBondContact O-N 2.82Å; R43-T47 PolarHBondContact O-OG1 3.43Å; E44-T47 WeakPolarHBondContact O-CB 3.14Å; E44-T47 PolarHBondContact O-N 2.8Å; E44-T47 VanDerWaalsContact O-N 3.13Å; I45-T47 VanDerWaalsContact C-N 3.31Å; I45-T47 PolarHBondContact O-N 2.86Å; T47-Y49 VanDerWaalsContact C-N 3.31Å; T47-Y49 PolarHBondContact O-N 3.5Å; T47-W50 PolarHBondContact O-N 2.89Å; T47-C51 PolarHBondContact O-N 2.89Å; T47-C51 PolarHBondContact O-SG 2.66Å; T47-I116 HydrophobicContact CG2-CD1 3.89Å; T47-I116 HydrophobicContact CG2-CG2 4.38Å; T47-L142 HydrophobicContact CG2-CB 4.16Å; T47-L142 HydrophobicContact CG2-CD1 3.64Å; T47-L142 HydrophobicContact CG2-CG 4.44Å; T47-A145 HydrophobicContact CG2-CB 4.12Å
48	F	88.1	Confident	87.2	Confident	5 Å²	5	55.5 Å²	55.5	2%	0.022	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-38.7	174.6	-83.2	-65.3	0	0	0	112.6	E44 I45 W50 C51 S52 I57 V58 L60 F74 L142	E44-F48 HydrophobicContact CG-CD2 3.87Å; E44-F48 HydrophobicContact CG-CE2 3.68Å; E44-F48 WeakPolarHBondContact O-CD2 3.36Å; E44-F48 PolarHBondContact O-N 2.83Å; I45-F48 PolarHBondContact O-N 2.7Å; F48-W50 PolarHBondContact O-N 3.42Å; F48-C51 CarbonylContact O-C 3.45Å; F48-C51 PolarHBondContact O-N 3.31Å; F48-C51 VanDerWaalsContact O-N 3.12Å; F48-S52 PolarHBondContact O-N 3.22Å; F48-I57 HydrophobicContact CD1-CG2 4.49Å; F48-I57 HydrophobicContact CE1-CG2 4.37Å; F48-V58 WeakPolarHBondContact CD1-O 3.43Å; F48-V58 WeakPolarHBondContact CE1-O 3.49Å; F48-L60 HydrophobicContact CB-CB 3.74Å; F48-L60 HydrophobicContact CB-CD2 3.99Å; F48-L60 HydrophobicContact CB-CG 4.5Å; F48-L60 HydrophobicContact CG-CB 4.12Å; F48-F74 AromaticContact CD1-CE1 3.97Å; F48-F74 HydrophobicContact CD1-CE1 3.97Å; F48-F74 AromaticContact CD2-CE1 3.76Å; F48-F74 HydrophobicContact CD2-CE1 3.76Å; F48-F74 AromaticContact CD2-CZ 4Å; F48-F74 HydrophobicContact CD2-CZ 4Å; F48-F74 HydrophobicContact CE1-CD1 4.47Å; F48-F74 AromaticContact CE1-CE1 3.73Å; F48-F74 HydrophobicContact CE1-CE1 3.73Å; F48-F74 AromaticContact CE2-CE1 3.51Å; F48-F74 HydrophobicContact CE2-CE1 3.51Å; F48-F74 AromaticContact CE2-CZ 3.6Å; F48-F74 HydrophobicContact CE2-CZ 3.6Å; F48-F74 AromaticContact CG-CE1 3.99Å; F48-F74 HydrophobicContact CG-CE1 3.99Å; F48-F74 AromaticContact CZ-CE1 3.49Å; F48-F74 HydrophobicContact CZ-CE1 3.49Å; F48-F74 VanDerWaalsContact CZ-CE1 3.49Å; F48-F74 AromaticContact CZ-CZ 3.93Å; F48-F74 HydrophobicContact CZ-CZ 3.93Å; F48-L142 HydrophobicContact CD1-CD1 3.75Å; F48-L142 HydrophobicContact CD1-CG 4.46Å; F48-L142 HydrophobicContact CD2-CD1 4.39Å; F48-L142 HydrophobicContact CE1-CD1 3.63Å; F48-L142 HydrophobicContact CE1-CG 3.9Å; F48-L142 HydrophobicContact CE2-CB 4.08Å; F48-L142 HydrophobicContact CE2-CD1 4.29Å; F48-L142 HydrophobicContact CE2-CG 4.16Å; F48-L142 HydrophobicContact CG-CD1 4.12Å; F48-L142 HydrophobicContact CZ-CB 4.13Å; F48-L142 HydrophobicContact CZ-CD1 3.92Å; F48-L142 HydrophobicContact CZ-CG 3.73Å
49	Y	87.5	Confident	87.7	Confident	176 Å²	176	50.8 Å²	50.8	69%	0.69	25%	0.254	S	S	*	.	H	α-helix	trans	-59.7	-44.9	175.2	179.7	-97.6	0	0	0	111.9	I45 Q46 T47 C51 S52	I45-Y49 WeakPolarHBondContact O-CB 3.26Å; I45-Y49 PolarHBondContact O-N 2.93Å; Q46-Y49 WeakPolarHBondContact O-CB 3.4Å; Q46-Y49 PolarHBondContact O-N 3.32Å; T47-Y49 VanDerWaalsContact C-N 3.31Å; T47-Y49 PolarHBondContact O-N 3.5Å; Y49-C51 VanDerWaalsContact C-N 3.26Å; Y49-C51 PolarHBondContact O-N 3.28Å; Y49-S52 VanDerWaalsContact O-CB 3.24Å; Y49-S52 WeakPolarHBondContact O-CB 3.35Å; Y49-S52 PolarHBondContact O-N 3.21Å
50	W	87.9	Confident	88.1	Confident	107 Å²	107	44.8 Å²	44.8	41%	0.405	23%	0.229	S	C	.	.	H	α-helix	trans	-68.2	-24.9	175	-64.3	-28	0	0	0	113.7	Q46 T47 F48 S52 F110 L114 I116 T147	Q46-W50 PolarHBondContact O-N 3.01Å; T47-W50 PolarHBondContact O-N 2.89Å; F48-W50 PolarHBondContact O-N 3.42Å; W50-S52 VanDerWaalsContact C-N 3.35Å; W50-F110 WeakPolarHBondContact O-CZ 3.4Å; W50-L114 HydrophobicContact CB-CD1 4.06Å; W50-I116 HydrophobicContact CE3-CD1 4.01Å; W50-I116 HydrophobicContact CZ3-CD1 4.34Å; W50-T147 HydrophobicContact CH2-CG2 4.34Å; W50-T147 HydrophobicContact CZ3-CG2 3.8Å
51	C	89.8	Confident	88.6	Confident	4 Å²	4	46 Å²	46	3%	0.027	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.8	176.2	-58.2	0	0	0	0	114.3	T47 F48 Y49 G53 H54 I57 F110 L111	T47-C51 PolarHBondContact O-N 2.89Å; T47-C51 PolarHBondContact O-SG 2.66Å; F48-C51 CarbonylContact O-C 3.45Å; F48-C51 PolarHBondContact O-N 3.31Å; F48-C51 VanDerWaalsContact O-N 3.12Å; Y49-C51 VanDerWaalsContact C-N 3.26Å; Y49-C51 PolarHBondContact O-N 3.28Å; C51-G53 PolarHBondContact O-N 3.5Å; C51-H54 PolarHBondContact O-N 3.4Å; C51-I57 HydrophobicContact CB-CB 4.46Å; C51-I57 HydrophobicContact CB-CD1 3.84Å; C51-I57 HydrophobicContact CB-CG2 3.92Å; C51-F110 HydrophobicContact CB-CE1 4.06Å; C51-L111 WeakPolarHBondContact SG-CD2 3.49Å
52	S	85.3	Confident	88.9	Confident	81 Å²	81	50 Å²	50	57%	0.566	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	130.4	-177.6	-170.3	0	0	0	0	111	F48 Y49 W50	F48-S52 PolarHBondContact O-N 3.22Å; Y49-S52 VanDerWaalsContact O-CB 3.24Å; Y49-S52 WeakPolarHBondContact O-CB 3.35Å; Y49-S52 PolarHBondContact O-N 3.21Å; W50-S52 VanDerWaalsContact C-N 3.35Å
53	G	87.5	Confident	89.1	Confident	68 Å²	68	51.4 Å²	51.4	70%	0.701	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	-7.7	-179.5	0	0	0	0	0	115.4	C51	C51-G53 PolarHBondContact O-N 3.5Å
54	H	95	Very high	89.3	Confident	23 Å²	23	52.2 Å²	52.2	11%	0.106	27%	0.27	C	S	.	.			trans	-73.8	126.7	174.2	-167.5	-85.4	0	0	0	111	C51 N56 I57 S106 A107 F110	C51-H54 PolarHBondContact O-N 3.4Å; H54-N56 PolarHBondContact ND1-N 2.91Å; H54-N56 VanDerWaalsContact ND1-N 3.17Å; H54-N56 PolarHBondContact O-N 2.77Å; H54-N56 VanDerWaalsContact O-N 3.16Å; H54-I57 HydrophobicContact CB-CB 4.26Å; H54-I57 HydrophobicContact CB-CD1 4.08Å; H54-I57 HydrophobicContact CB-CG1 4.25Å; H54-I57 PolarHBondContact O-N 2.75Å; H54-S106 PolarHBondContact CE1-OG 2.71Å; H54-S106 PolarHBondContact NE2-O 3.43Å; H54-S106 PolarHBondContact NE2-OG 2.68Å; H54-A107 PolarHBondContact CE1-N 3.3Å; H54-F110 HydrophobicContact CB-CD1 4.48Å; H54-F110 HydrophobicContact CB-CG 4.49Å; H54-F110 AromaticContact CD2-CD2 3.61Å; H54-F110 AromaticContact CD2-CG 3.51Å
55	P	96.1	Very high	89.4	Confident	80 Å²	80	55.7 Å²	55.7	52%	0.519	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.7	-172.4	25.4	-35.1	0	0	0	114	K138	P55-K138 WeakPolarHBondContact O-CE 3.25Å; P55-K138 WeakPolarHBondContact O-CG 3.46Å
56	N	97.2	Very high	89.3	Confident	10 Å²	10	60.9 Å²	60.9	5%	0.053	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	17.7	-178.4	-51.9	108.7	0	0	0	114	H54 D103 S106 A107 V137 K138 L139	H54-N56 PolarHBondContact ND1-N 2.91Å; H54-N56 VanDerWaalsContact ND1-N 3.17Å; H54-N56 PolarHBondContact O-N 2.77Å; H54-N56 VanDerWaalsContact O-N 3.16Å; N56-D103 WeakPolarHBondContact CB-O 3.42Å; N56-D103 VanDerWaalsContact ND2-CB 3.26Å; N56-D103 WeakPolarHBondContact ND2-CB 3.21Å; N56-D103 PolarHBondContact ND2-OD2 2.99Å; N56-S106 PolarHBondContact OD1-OG 3.01Å; N56-A107 HydrophobicContact CB-CB 3.97Å; N56-A107 WeakPolarHBondContact O-CB 3.31Å; N56-V137 WeakPolarHBondContact CA-O 3.16Å; N56-V137 PolarHBondContact ND2-O 2.89Å; N56-K138 CarbonylContact O-C 3.38Å; N56-K138 WeakPolarHBondContact O-CA 3.48Å; N56-L139 PolarHBondContact O-N 2.9Å
57	I	95.1	Very high	89	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-121.8	136.6	170.3	-61.6	172.2	0	0	0	107.9	F48 C51 H54 S59 A107 F110 L111 L142	F48-I57 HydrophobicContact CD1-CG2 4.49Å; F48-I57 HydrophobicContact CE1-CG2 4.37Å; C51-I57 HydrophobicContact CB-CB 4.46Å; C51-I57 HydrophobicContact CB-CD1 3.84Å; C51-I57 HydrophobicContact CB-CG2 3.92Å; H54-I57 HydrophobicContact CB-CB 4.26Å; H54-I57 HydrophobicContact CB-CD1 4.08Å; H54-I57 HydrophobicContact CB-CG1 4.25Å; H54-I57 PolarHBondContact O-N 2.75Å; I57-S59 PolarHBondContact O-N 3.24Å; I57-A107 HydrophobicContact CD1-CB 4.39Å; I57-A107 HydrophobicContact CG1-CB 3.77Å; I57-F110 HydrophobicContact CD1-CD1 3.83Å; I57-L111 HydrophobicContact CD1-CD2 4.26Å; I57-L111 HydrophobicContact CD1-CG 4.05Å; I57-L142 HydrophobicContact CG2-CD1 4.41Å
58	V	93.1	Very high	88.6	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.012	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-63.4	131.8	179	176.6	0	0	0	0	110	F48 F74 E75 M77 L127 K138 L139 C140	F48-V58 WeakPolarHBondContact CD1-O 3.43Å; F48-V58 WeakPolarHBondContact CE1-O 3.49Å; V58-F74 HydrophobicContact CG1-CB 3.91Å; V58-F74 HydrophobicContact CG1-CD1 3.84Å; V58-F74 HydrophobicContact CG1-CG 4.25Å; V58-E75 HydrophobicContact CG1-CG 3.84Å; V58-M77 HydrophobicContact CG2-CG 4.19Å; V58-M77 HydrophobicContact CG2-SD 4.2Å; V58-L127 HydrophobicContact CG2-CD1 4.37Å; V58-K138 HydrophobicContact CG2-CB 3.67Å; V58-K138 HydrophobicContact CG2-CD 4.49Å; V58-L139 PolarHBondContact N-O 3.49Å; V58-C140 HydrophobicContact CB-CB 4.11Å; V58-C140 HydrophobicContact CG2-CB 3.61Å
59	S	91.1	Very high	88.2	Confident	36 Å²	36	74.9 Å²	74.9	25%	0.252	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-82.7	124	-177.4	-49.8	0	0	0	0	110.7	I57 F74 E75	I57-S59 PolarHBondContact O-N 3.24Å; S59-F74 WeakPolarHBondContact O-CA 3.48Å; S59-E75 VanDerWaalsContact CB-OE1 3.26Å; S59-E75 WeakPolarHBondContact CB-OE1 3.38Å; S59-E75 PolarHBondContact N-OE1 3.01Å; S59-E75 PolarHBondContact O-N 2.77Å; S59-E75 VanDerWaalsContact O-N 3.13Å; S59-E75 PolarHBondContact OG-OE1 3.23Å
60	L	89.6	Confident	88	Confident	31 Å²	31	66.7 Å²	66.7	16%	0.162	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117.5	164.7	-178.9	70.2	0	0	0	108.2	I45 F48 L72 I73 F74	I45-L60 HydrophobicContact CB-CD2 4.46Å; I45-L60 HydrophobicContact CG1-CD2 4.44Å; I45-L60 HydrophobicContact CG2-CD2 4.08Å; F48-L60 HydrophobicContact CB-CB 3.74Å; F48-L60 HydrophobicContact CB-CD2 3.99Å; F48-L60 HydrophobicContact CB-CG 4.5Å; F48-L60 HydrophobicContact CG-CB 4.12Å; L60-L72 HydrophobicContact CD1-CB 3.71Å; L60-L72 HydrophobicContact CD1-CD2 4.22Å; L60-L72 HydrophobicContact CD1-CG 3.98Å; L60-I73 WeakPolarHBondContact CD1-O 3.35Å; L60-F74 HydrophobicContact CB-CD1 4.07Å; L60-F74 HydrophobicContact CB-CE1 3.88Å; L60-F74 HydrophobicContact CD1-CD1 4Å; L60-F74 HydrophobicContact CD1-CD2 4.28Å; L60-F74 HydrophobicContact CD1-CE1 3.66Å; L60-F74 HydrophobicContact CD1-CE2 4.03Å; L60-F74 HydrophobicContact CD1-CG 4.33Å; L60-F74 HydrophobicContact CD1-CZ 3.71Å; L60-F74 HydrophobicContact CG-CE1 4.37Å
61	I	88.6	Confident	87.8	Confident	91 Å²	91	63.9 Å²	63.9	47%	0.467	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-53.1	-178.8	-61.2	175	0	0	0	109.6	C29 I73 E75	C29-I61 HydrophobicContact CB-CD1 4.39Å; I61-I73 HydrophobicContact CB-CG2 4.44Å; I61-I73 WeakPolarHBondContact CB-O 3.34Å; I61-I73 PolarHBondContact N-O 3.29Å; I61-E75 HydrophobicContact CD1-CB 4.46Å
62	E	88	Confident	87.7	Confident	84 Å²	84	63.7 Å²	63.7	39%	0.393	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	166.7	-176.4	59.7	-173.9	148.1	0	0	110.1	F64 I73	E62-F64 HydrophobicContact CG-CE2 3.81Å; E62-F64 HydrophobicContact CG-CZ 4.22Å; E62-F64 WeakPolarHBondContact OE2-CE2 3.23Å; E62-F64 WeakPolarHBondContact OE2-CZ 3.38Å; E62-I73 HydrophobicContact CG-CB 3.53Å; E62-I73 HydrophobicContact CG-CG1 3.49Å; E62-I73 VanDerWaalsContact CG-CG1 3.49Å; E62-I73 HydrophobicContact CG-CG2 4.13Å; E62-I73 PolarHBondContact N-O 2.89Å; E62-I73 PolarHBondContact O-N 3.37Å
63	Y	87.7	Confident	87.8	Confident	102 Å²	102	60.1 Å²	60.1	40%	0.4	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.8	172.6	69.9	-85.8	0	0	0	110.5	W42 I45 F71	W42-Y63 AromaticContact CH2-CE2 3.72Å; W42-Y63 HydrophobicContact CH2-CE2 3.72Å; W42-Y63 AromaticContact CH2-CZ 3.75Å; W42-Y63 WeakPolarHBondContact CH2-OH 3.41Å; W42-Y63 HydrophobicContact CZ2-CE2 4.4Å; W42-Y63 HydrophobicContact CZ3-CE2 4.22Å; I45-Y63 HydrophobicContact CD1-CD1 4.46Å; I45-Y63 HydrophobicContact CD1-CD2 3.92Å; I45-Y63 HydrophobicContact CD1-CE2 4.46Å; I45-Y63 HydrophobicContact CD1-CG 3.94Å; I45-Y63 HydrophobicContact CG2-CD1 4Å; I45-Y63 HydrophobicContact CG2-CE1 4.11Å; Y63-F71 CarbonylContact C-O 3.55Å; Y63-F71 WeakPolarHBondContact CA-O 3.41Å
64	F	85.3	Confident	87.9	Confident	104 Å²	104	57 Å²	57	46%	0.456	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	149	175.5	-55.1	-87.5	0	0	0	110	E62 F70 F71 I73	E62-F64 HydrophobicContact CG-CE2 3.81Å; E62-F64 HydrophobicContact CG-CZ 4.22Å; E62-F64 WeakPolarHBondContact OE2-CE2 3.23Å; E62-F64 WeakPolarHBondContact OE2-CZ 3.38Å; F64-F70 CarbonylContact O-C 3.54Å; F64-F70 WeakPolarHBondContact O-CA 3.48Å; F64-F71 HydrophobicContact CB-CB 4.25Å; F64-F71 HydrophobicContact CB-CD2 4.49Å; F64-F71 PolarHBondContact N-O 2.91Å; F64-F71 PolarHBondContact O-N 2.91Å; F64-I73 HydrophobicContact CD2-CG1 4.19Å; F64-I73 HydrophobicContact CE2-CG1 3.9Å
65	E	85.8	Confident	87.7	Confident	75 Å²	75	57.9 Å²	57.9	35%	0.35	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.5	170.5	-177	176.2	-162.8	0	0	107.6	R38 K69 F70	R38-E65 IonicContact CZ-OE1 3.77Å; R38-E65 IonicContact CZ-OE2 2.65Å; R38-E65 IonicContact NH1-OE1 2.7Å; R38-E65 PolarHBondContact NH1-OE1 3.26Å; R38-E65 IonicContact NH1-OE2 2.73Å; R38-E65 PolarHBondContact NH1-OE2 3.41Å; R38-E65 IonicContact NH2-OE2 3.67Å; R38-E65 PolarHBondContact NH2-OE2 3.46Å; E65-K69 WeakPolarHBondContact CA-O 3.4Å; E65-F70 HydrophobicContact CB-CD1 4.14Å; E65-F70 HydrophobicContact CB-CE1 3.96Å; E65-F70 VanDerWaalsContact CD-CZ 3.42Å; E65-F70 HydrophobicContact CG-CD1 4.27Å; E65-F70 HydrophobicContact CG-CE1 3.83Å; E65-F70 HydrophobicContact CG-CE2 4.47Å; E65-F70 HydrophobicContact CG-CZ 3.92Å; E65-F70 WeakPolarHBondContact OE1-CZ 3.49Å
66	E	83	Confident	87.4	Confident	118 Å²	118	56.9 Å²	56.9	55%	0.551	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.7	130.3	177.7	-165.5	-171.3	-174.8	0	0	109.7	D68 K69 F71	E66-D68 VanDerWaalsContact C-N 3.35Å; E66-D68 PolarHBondContact O-N 3.49Å; E66-K69 PolarHBondContact N-O 2.93Å; E66-K69 WeakPolarHBondContact O-CB 3.15Å; E66-K69 PolarHBondContact O-N 3.13Å; E66-F71 HydrophobicContact CB-CE2 4.09Å
67	N	82.2	Confident	87.1	Confident	135 Å²	135	57.4 Å²	57.4	72%	0.722	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	48.3	176.4	-58.1	-47.4	0	0	0	113.7	K69	N67-K69 PolarHBondContact O-N 2.92Å; N67-K69 VanDerWaalsContact O-N 3.13Å
68	D	77.3	Confident	86.9	Confident	148 Å²	148	64.8 Å²	64.8	79%	0.791	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	16.2	-175.9	-64.5	-42.1	0	0	0	115.5	E66	E66-D68 VanDerWaalsContact C-N 3.35Å; E66-D68 PolarHBondContact O-N 3.49Å
69	K	80.2	Confident	86.8	Confident	96 Å²	96	64.7 Å²	64.7	42%	0.417	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	139	172.5	-63.1	178	-178	175.1	0	110.1	I33 E65 E66 N67 F71	I33-K69 HydrophobicContact CG2-CB 4.4Å; I33-K69 HydrophobicContact CG2-CD 4.4Å; E65-K69 WeakPolarHBondContact CA-O 3.4Å; E66-K69 PolarHBondContact N-O 2.93Å; E66-K69 WeakPolarHBondContact O-CB 3.15Å; E66-K69 PolarHBondContact O-N 3.13Å; N67-K69 PolarHBondContact O-N 2.92Å; N67-K69 VanDerWaalsContact O-N 3.13Å; K69-F71 HydrophobicContact CB-CE2 3.91Å; K69-F71 HydrophobicContact CB-CZ 4.23Å
70	F	82.2	Confident	86.8	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131	170.9	-69.2	-91.8	0	0	0	109.7	I33 H34 R38 V41 I45 F64 E65 L72	I33-F70 WeakPolarHBondContact CA-O 3.45Å; H34-F70 HydrophobicContact CB-CB 4.44Å; H34-F70 PolarHBondContact N-O 3.35Å; H34-F70 PolarHBondContact O-N 2.73Å; R38-F70 HydrophobicContact CB-CE2 4.21Å; R38-F70 HydrophobicContact CB-CZ 4.26Å; R38-F70 HydrophobicContact CG-CE2 4.28Å; R38-F70 HydrophobicContact CG-CZ 3.82Å; V41-F70 HydrophobicContact CB-CD2 4.05Å; V41-F70 HydrophobicContact CB-CE2 4.45Å; V41-F70 HydrophobicContact CB-CG 4.13Å; V41-F70 HydrophobicContact CG1-CB 3.66Å; V41-F70 HydrophobicContact CG1-CD1 3.93Å; V41-F70 HydrophobicContact CG1-CD2 4.01Å; V41-F70 HydrophobicContact CG1-CG 3.59Å; V41-F70 HydrophobicContact CG2-CD2 3.97Å; V41-F70 HydrophobicContact CG2-CG 4.37Å; I45-F70 HydrophobicContact CD1-CD1 4.4Å; F64-F70 CarbonylContact O-C 3.54Å; F64-F70 WeakPolarHBondContact O-CA 3.48Å; E65-F70 HydrophobicContact CB-CD1 4.14Å; E65-F70 HydrophobicContact CB-CE1 3.96Å; E65-F70 VanDerWaalsContact CD-CZ 3.42Å; E65-F70 HydrophobicContact CG-CD1 4.27Å; E65-F70 HydrophobicContact CG-CE1 3.83Å; E65-F70 HydrophobicContact CG-CE2 4.47Å; E65-F70 HydrophobicContact CG-CZ 3.92Å; E65-F70 WeakPolarHBondContact OE1-CZ 3.49Å; F70-L72 HydrophobicContact CB-CD1 3.84Å
71	F	84.2	Confident	86.9	Confident	47 Å²	47	61.9 Å²	61.9	21%	0.206	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.8	173.3	-59.3	-95.7	0	0	0	107.7	Y31 K32 I33 Y63 F64 E66 K69	Y31-F71 HydrophobicContact CD2-CD1 4.49Å; K32-F71 WeakPolarHBondContact O-CA 3.44Å; I33-F71 HydrophobicContact CD1-CD1 4.45Å; I33-F71 HydrophobicContact CD1-CE1 3.98Å; I33-F71 HydrophobicContact CG1-CD1 3.94Å; I33-F71 HydrophobicContact CG1-CE1 3.94Å; Y63-F71 CarbonylContact C-O 3.55Å; Y63-F71 WeakPolarHBondContact CA-O 3.41Å; F64-F71 HydrophobicContact CB-CB 4.25Å; F64-F71 HydrophobicContact CB-CD2 4.49Å; F64-F71 PolarHBondContact N-O 2.91Å; F64-F71 PolarHBondContact O-N 2.91Å; E66-F71 HydrophobicContact CB-CE2 4.09Å; K69-F71 HydrophobicContact CB-CE2 3.91Å; K69-F71 HydrophobicContact CB-CZ 4.23Å
72	L	86.2	Confident	87	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.1	176.7	-78.3	65.6	0	0	0	108.1	Y31 K32 V41 I45 L60 F70 F74	Y31-L72 CarbonylContact C-O 3.56Å; Y31-L72 VanDerWaalsContact CA-O 3.26Å; Y31-L72 WeakPolarHBondContact CA-O 3.4Å; K32-L72 PolarHBondContact N-O 2.82Å; K32-L72 PolarHBondContact O-N 3.33Å; V41-L72 HydrophobicContact CG1-CD1 3.95Å; I45-L72 HydrophobicContact CD1-CD1 4.29Å; I45-L72 HydrophobicContact CG1-CD1 4.36Å; I45-L72 HydrophobicContact CG1-CD2 3.9Å; I45-L72 HydrophobicContact CG1-CG 4.14Å; L60-L72 HydrophobicContact CD1-CB 3.71Å; L60-L72 HydrophobicContact CD1-CD2 4.22Å; L60-L72 HydrophobicContact CD1-CG 3.98Å; F70-L72 HydrophobicContact CB-CD1 3.84Å; L72-F74 HydrophobicContact CB-CD2 4.12Å; L72-F74 HydrophobicContact CB-CE2 3.36Å; L72-F74 HydrophobicContact CB-CZ 3.89Å; L72-F74 HydrophobicContact CD2-CE2 4.15Å; L72-F74 HydrophobicContact CD2-CZ 3.88Å; L72-F74 HydrophobicContact CG-CE2 4.4Å; L72-F74 WeakPolarHBondContact O-CD2 3.16Å
73	I	88.2	Confident	87	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124	-178.9	-48.2	-54.6	0	0	0	108.6	V25 C29 S30 Y31 L60 I61 E62 F64	V25-I73 HydrophobicContact CG1-CG2 4.39Å; C29-I73 HydrophobicContact CB-CG2 3.82Å; S30-I73 CarbonylContact O-C 3.45Å; S30-I73 WeakPolarHBondContact O-CA 3.39Å; Y31-I73 VanDerWaalsContact CB-CD1 3.47Å; L60-I73 WeakPolarHBondContact CD1-O 3.35Å; I61-I73 HydrophobicContact CB-CG2 4.44Å; I61-I73 WeakPolarHBondContact CB-O 3.34Å; I61-I73 PolarHBondContact N-O 3.29Å; E62-I73 HydrophobicContact CG-CB 3.53Å; E62-I73 HydrophobicContact CG-CG1 3.49Å; E62-I73 VanDerWaalsContact CG-CG1 3.49Å; E62-I73 HydrophobicContact CG-CG2 4.13Å; E62-I73 PolarHBondContact N-O 2.89Å; E62-I73 PolarHBondContact O-N 3.37Å; F64-I73 HydrophobicContact CD2-CG1 4.19Å; F64-I73 HydrophobicContact CE2-CG1 3.9Å
74	F	90.2	Very high	87.1	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	160.9	-178	-63.7	-92.8	0	0	0	111	F19 C29 S30 K32 F48 V58 S59 L60 L72	F19-F74 HydrophobicContact CD1-CD2 4.35Å; F19-F74 HydrophobicContact CE1-CB 3.89Å; F19-F74 AromaticContact CE1-CD2 3.38Å; F19-F74 HydrophobicContact CE1-CD2 3.38Å; F19-F74 AromaticContact CE1-CE2 3.95Å; F19-F74 HydrophobicContact CE1-CE2 3.95Å; F19-F74 AromaticContact CE1-CG 3.78Å; F19-F74 HydrophobicContact CE1-CG 3.78Å; F19-F74 HydrophobicContact CZ-CD2 4.08Å; F19-F74 HydrophobicContact CZ-CE2 4.31Å; F19-F74 HydrophobicContact CZ-CG 4.37Å; C29-F74 WeakPolarHBondContact CA-O 3.06Å; S30-F74 PolarHBondContact N-O 3.13Å; S30-F74 PolarHBondContact O-N 3.49Å; K32-F74 HydrophobicContact CB-CE2 4.06Å; K32-F74 HydrophobicContact CD-CE2 4.44Å; F48-F74 AromaticContact CD1-CE1 3.97Å; F48-F74 HydrophobicContact CD1-CE1 3.97Å; F48-F74 AromaticContact CD2-CE1 3.76Å; F48-F74 HydrophobicContact CD2-CE1 3.76Å; F48-F74 AromaticContact CD2-CZ 4Å; F48-F74 HydrophobicContact CD2-CZ 4Å; F48-F74 HydrophobicContact CE1-CD1 4.47Å; F48-F74 AromaticContact CE1-CE1 3.73Å; F48-F74 HydrophobicContact CE1-CE1 3.73Å; F48-F74 AromaticContact CE2-CE1 3.51Å; F48-F74 HydrophobicContact CE2-CE1 3.51Å; F48-F74 AromaticContact CE2-CZ 3.6Å; F48-F74 HydrophobicContact CE2-CZ 3.6Å; F48-F74 AromaticContact CG-CE1 3.99Å; F48-F74 HydrophobicContact CG-CE1 3.99Å; F48-F74 AromaticContact CZ-CE1 3.49Å; F48-F74 HydrophobicContact CZ-CE1 3.49Å; F48-F74 VanDerWaalsContact CZ-CE1 3.49Å; F48-F74 AromaticContact CZ-CZ 3.93Å; F48-F74 HydrophobicContact CZ-CZ 3.93Å; V58-F74 HydrophobicContact CG1-CB 3.91Å; V58-F74 HydrophobicContact CG1-CD1 3.84Å; V58-F74 HydrophobicContact CG1-CG 4.25Å; S59-F74 WeakPolarHBondContact O-CA 3.48Å; L60-F74 HydrophobicContact CB-CD1 4.07Å; L60-F74 HydrophobicContact CB-CE1 3.88Å; L60-F74 HydrophobicContact CD1-CD1 4Å; L60-F74 HydrophobicContact CD1-CD2 4.28Å; L60-F74 HydrophobicContact CD1-CE1 3.66Å; L60-F74 HydrophobicContact CD1-CE2 4.03Å; L60-F74 HydrophobicContact CD1-CG 4.33Å; L60-F74 HydrophobicContact CD1-CZ 3.71Å; L60-F74 HydrophobicContact CG-CE1 4.37Å; L72-F74 HydrophobicContact CB-CD2 4.12Å; L72-F74 HydrophobicContact CB-CE2 3.36Å; L72-F74 HydrophobicContact CB-CZ 3.89Å; L72-F74 HydrophobicContact CD2-CE2 4.15Å; L72-F74 HydrophobicContact CD2-CZ 3.88Å; L72-F74 HydrophobicContact CG-CE2 4.4Å; L72-F74 WeakPolarHBondContact O-CD2 3.16Å
75	E	90.5	Very high	87.4	Confident	42 Å²	42	45.4 Å²	45.4	20%	0.196	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	144	166.8	64.3	178.2	129.5	0	0	111.3	S30 V58 S59 I61 M77 K138	S30-E75 PolarHBondContact OG-O 3.37Å; V58-E75 HydrophobicContact CG1-CG 3.84Å; S59-E75 VanDerWaalsContact CB-OE1 3.26Å; S59-E75 WeakPolarHBondContact CB-OE1 3.38Å; S59-E75 PolarHBondContact N-OE1 3.01Å; S59-E75 PolarHBondContact O-N 2.77Å; S59-E75 VanDerWaalsContact O-N 3.13Å; S59-E75 PolarHBondContact OG-OE1 3.23Å; I61-E75 HydrophobicContact CD1-CB 4.46Å; E75-M77 HydrophobicContact CG-SD 4.21Å; E75-K138 WeakPolarHBondContact OE1-CD 3.42Å; E75-K138 IonicContact OE1-NZ 3.38Å; E75-K138 PolarHBondContact OE1-NZ 3.15Å; E75-K138 IonicContact OE2-NZ 3.17Å; E75-K138 PolarHBondContact OE2-NZ 3.13Å
76	K	89.1	Confident	87.7	Confident	59 Å²	59	41.9 Å²	41.9	26%	0.257	20%	0.197	S	C	.	.			trans	-85.8	120.9	-179.5	-171.6	179.3	-176.6	174.3	0	111.5	D27 S28 R78	D27-K76 WeakPolarHBondContact O-CD 3.25Å; D27-K76 PolarHBondContact O-NZ 3.06Å; D27-K76 IonicContact OD1-NZ 2.89Å; D27-K76 PolarHBondContact OD1-NZ 2.8Å; S28-K76 WeakPolarHBondContact O-CB 3.45Å; S28-K76 PolarHBondContact O-N 3.46Å; S28-K76 VanDerWaalsContact O-N 3.15Å; K76-R78 PolarHBondContact O-N 3.44Å
77	M	92.4	Very high	88	Confident	20 Å²	20	38.4 Å²	38.4	10%	0.099	18%	0.181	C	C	.	.			trans	-87.9	100.4	175.4	-55.5	-57.2	-68.3	0	0	110.3	V58 E75 G79 L127 T129 K138	V58-M77 HydrophobicContact CG2-CG 4.19Å; V58-M77 HydrophobicContact CG2-SD 4.2Å; E75-M77 HydrophobicContact CG-SD 4.21Å; M77-G79 VanDerWaalsContact C-N 3.33Å; M77-G79 PolarHBondContact O-N 3.29Å; M77-L127 HydrophobicContact CB-CB 3.71Å; M77-L127 HydrophobicContact CB-CD1 3.95Å; M77-L127 HydrophobicContact CB-CG 4.41Å; M77-L127 HydrophobicContact CE-CB 3.82Å; M77-L127 VanDerWaalsContact CE-O 3.24Å; M77-L127 WeakPolarHBondContact CE-O 3.42Å; M77-L127 HydrophobicContact CG-CB 3.68Å; M77-L127 HydrophobicContact CG-CD1 3.6Å; M77-L127 HydrophobicContact CG-CG 4.29Å; M77-T129 HydrophobicContact CE-CG2 3.51Å; M77-T129 HydrophobicContact SD-CG2 4.38Å; M77-K138 HydrophobicContact CE-CB 3.67Å; M77-K138 HydrophobicContact CE-CD 3.86Å; M77-K138 HydrophobicContact CE-CG 3.69Å; M77-K138 HydrophobicContact SD-CB 4.45Å; M77-K138 HydrophobicContact SD-CD 3.96Å; M77-K138 HydrophobicContact SD-CG 4.43Å
78	R	90.9	Very high	88.3	Confident	157 Å²	157	39.7 Å²	39.7	59%	0.592	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-20	-170.6	-61.2	-177.3	178	-140.2	-1.7	113.6	K76 G80 T129	K76-R78 PolarHBondContact O-N 3.44Å; R78-G80 VanDerWaalsContact C-N 3.34Å; R78-T129 PolarHBondContact N-O 3.42Å; R78-T129 VanDerWaalsContact N-O 3.11Å
79	G	90.3	Very high	88.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.3	-179.9	0	0	0	0	0	114.7	M77 H85 C128 H130	M77-G79 VanDerWaalsContact C-N 3.33Å; M77-G79 PolarHBondContact O-N 3.29Å; G79-H85 PolarHBondContact O-ND1 3.13Å; G79-C128 WeakPolarHBondContact CA-O 3.13Å; G79-C128 PolarHBondContact N-O 3.05Å; G79-H130 VanDerWaalsContact CA-O 3.29Å; G79-H130 WeakPolarHBondContact CA-O 3.37Å
80	G	90.3	Very high	89.3	Confident	6 Å²	6	37.7 Å²	37.7	6%	0.062	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.3	-163.7	-175.4	0	0	0	0	0	113	R78 L127 C128	R78-G80 VanDerWaalsContact C-N 3.34Å; G80-L127 CarbonylContact O-C 3.55Å; G80-L127 WeakPolarHBondContact O-CA 3.49Å; G80-C128 PolarHBondContact O-N 3.24Å
81	S	91.2	Very high	89.7	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	151.1	177.8	63.8	0	0	0	0	112.2	L83 Q84 H85	S81-L83 PolarHBondContact O-N 3.44Å; S81-Q84 PolarHBondContact O-N 3.17Å; S81-Q84 WeakPolarHBondContact OG-CB 3.38Å; S81-Q84 WeakPolarHBondContact OG-CG 2.88Å; S81-Q84 PolarHBondContact OG-OE1 3.16Å; S81-H85 PolarHBondContact O-N 2.91Å
82	L	91.9	Very high	90.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-49.5	-54.7	-176.6	179.2	62.6	0	0	0	114.7	Q84 H85 I86 V100 I126 V134 I196 M200	L82-Q84 PolarHBondContact O-N 3.36Å; L82-H85 WeakPolarHBondContact O-CB 3.5Å; L82-H85 PolarHBondContact O-N 3.49Å; L82-H85 VanDerWaalsContact O-N 3.14Å; L82-I86 HydrophobicContact CD1-CD1 3.95Å; L82-I86 HydrophobicContact CD1-CG1 4.38Å; L82-I86 HydrophobicContact CG-CD1 4.06Å; L82-I86 WeakPolarHBondContact O-CG1 3.33Å; L82-I86 PolarHBondContact O-N 2.9Å; L82-V100 HydrophobicContact CD1-CG1 3.85Å; L82-V100 HydrophobicContact CD1-CG2 4.15Å; L82-V100 HydrophobicContact CD2-CG1 3.91Å; L82-I126 HydrophobicContact CB-CB 4.12Å; L82-I126 HydrophobicContact CB-CG2 4.1Å; L82-I126 HydrophobicContact CD2-CB 4.31Å; L82-I126 HydrophobicContact CD2-CD1 4.07Å; L82-I126 HydrophobicContact CD2-CG2 4.08Å; L82-I126 PolarHBondContact N-O 2.72Å; L82-V134 HydrophobicContact CD1-CG2 3.97Å; L82-I196 HydrophobicContact CD2-CG2 3.9Å; L82-M200 HydrophobicContact CD1-SD 4.3Å; L82-M200 HydrophobicContact CD2-CG 4.31Å; L82-M200 HydrophobicContact CD2-SD 3.79Å; L82-M200 HydrophobicContact CG-SD 4.39Å
83	L	88.8	Confident	90.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.5	-37.4	-176.6	-65.1	-173.7	0	0	0	112.6	S81 H85 I86 Q87 P123 M199 A302 L305 N306	S81-L83 PolarHBondContact O-N 3.44Å; L83-H85 VanDerWaalsContact C-N 3.25Å; L83-H85 PolarHBondContact O-N 3.31Å; L83-I86 HydrophobicContact CD2-CD1 4.41Å; L83-I86 PolarHBondContact O-N 3.44Å; L83-Q87 WeakPolarHBondContact O-CB 3.37Å; L83-Q87 PolarHBondContact O-N 2.99Å; L83-P123 HydrophobicContact CD1-CB 3.91Å; L83-P123 HydrophobicContact CD1-CG 3.91Å; L83-P123 HydrophobicContact CD2-CB 4.46Å; L83-P123 HydrophobicContact CG-CB 3.65Å; L83-P123 HydrophobicContact CG-CG 4.13Å; L83-M199 HydrophobicContact CD1-CE 3.68Å; L83-A302 HydrophobicContact CB-CB 4.27Å; L83-L305 HydrophobicContact CD1-CB 3.94Å; L83-N306 WeakPolarHBondContact CD1-OD1 3.49Å
84	Q	88.2	Confident	91.1	Very high	32 Å²	32	38.3 Å²	38.3	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-34.4	173.5	-67.7	178	4	0	0	111.7	S81 L82 R88 A302	S81-Q84 PolarHBondContact O-N 3.17Å; S81-Q84 WeakPolarHBondContact OG-CB 3.38Å; S81-Q84 WeakPolarHBondContact OG-CG 2.88Å; S81-Q84 PolarHBondContact OG-OE1 3.16Å; L82-Q84 PolarHBondContact O-N 3.36Å; Q84-R88 WeakPolarHBondContact O-CG 3.3Å; Q84-R88 PolarHBondContact O-N 2.85Å; Q84-A302 HydrophobicContact CG-CB 4.28Å
85	H	91.3	Very high	91.4	Very high	4 Å²	4	43 Å²	43	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-50.5	174.7	-171.5	99.6	0	0	0	110.5	G79 S81 L82 L83 Q87 R88 R89 C128 H130 P131 N133 V134	G79-H85 PolarHBondContact O-ND1 3.13Å; S81-H85 PolarHBondContact O-N 2.91Å; L82-H85 WeakPolarHBondContact O-CB 3.5Å; L82-H85 PolarHBondContact O-N 3.49Å; L82-H85 VanDerWaalsContact O-N 3.14Å; L83-H85 VanDerWaalsContact C-N 3.25Å; L83-H85 PolarHBondContact O-N 3.31Å; H85-Q87 VanDerWaalsContact C-N 3.32Å; H85-Q87 PolarHBondContact O-N 3.1Å; H85-R88 PolarHBondContact O-N 3.36Å; H85-R88 VanDerWaalsContact O-N 3.16Å; H85-R89 WeakPolarHBondContact O-CG 3.31Å; H85-C128 HydrophobicContact CB-CB 4.38Å; H85-H130 PolarHBondContact CE1-O 3.38Å; H85-P131 PolarHBondContact CE1-O 2.8Å; H85-N133 PolarHBondContact CE1-O 3.41Å; H85-V134 WeakPolarHBondContact NE2-CA 3.21Å; H85-V134 PolarHBondContact NE2-N 3.45Å
86	I	92.3	Very high	91.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-41.3	178.4	-63.7	167.6	0	0	0	111.4	L82 L83 R88 R89 F92 M200 T292 P293 L296	L82-I86 HydrophobicContact CD1-CD1 3.95Å; L82-I86 HydrophobicContact CD1-CG1 4.38Å; L82-I86 HydrophobicContact CG-CD1 4.06Å; L82-I86 WeakPolarHBondContact O-CG1 3.33Å; L82-I86 PolarHBondContact O-N 2.9Å; L83-I86 HydrophobicContact CD2-CD1 4.41Å; L83-I86 PolarHBondContact O-N 3.44Å; I86-R88 PolarHBondContact O-N 3.46Å; I86-R89 WeakPolarHBondContact O-CB 3.39Å; I86-R89 PolarHBondContact O-N 3.5Å; I86-R89 VanDerWaalsContact O-N 3.08Å; I86-F92 HydrophobicContact CD1-CD1 4.3Å; I86-F92 HydrophobicContact CD1-CE1 3.78Å; I86-F92 HydrophobicContact CD1-CE2 4.2Å; I86-F92 HydrophobicContact CD1-CZ 3.71Å; I86-F92 HydrophobicContact CG1-CD1 4.38Å; I86-F92 HydrophobicContact CG1-CD2 4.2Å; I86-F92 HydrophobicContact CG1-CE1 4.24Å; I86-F92 HydrophobicContact CG1-CE2 4.04Å; I86-F92 HydrophobicContact CG1-CG 4.36Å; I86-F92 HydrophobicContact CG1-CZ 4.06Å; I86-F92 HydrophobicContact CG2-CB 4.14Å; I86-F92 HydrophobicContact CG2-CD1 3.83Å; I86-F92 HydrophobicContact CG2-CE1 4.38Å; I86-F92 HydrophobicContact CG2-CG 3.92Å; I86-M200 HydrophobicContact CD1-CG 3.85Å; I86-M200 HydrophobicContact CD1-SD 4.23Å; I86-T292 HydrophobicContact CG2-CG2 3.8Å; I86-P293 HydrophobicContact CG2-CG 4.15Å; I86-L296 HydrophobicContact CB-CD1 4.03Å; I86-L296 HydrophobicContact CG2-CD1 3.82Å
87	Q	90.2	Very high	92.1	Very high	44 Å²	44	39.4 Å²	39.4	21%	0.206	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	-29.8	178.6	-171.9	-176	25.6	0	0	113.2	L83 H85 L296 M297	L83-Q87 WeakPolarHBondContact O-CB 3.37Å; L83-Q87 PolarHBondContact O-N 2.99Å; H85-Q87 VanDerWaalsContact C-N 3.32Å; H85-Q87 PolarHBondContact O-N 3.1Å; Q87-L296 HydrophobicContact CB-CB 4.01Å; Q87-L296 HydrophobicContact CB-CD1 4.22Å; Q87-L296 HydrophobicContact CG-CB 3.94Å; Q87-L296 PolarHBondContact NE2-O 3.01Å; Q87-M297 HydrophobicContact CG-CG 4.19Å
88	R	89	Confident	92.4	Very high	163 Å²	163	38.6 Å²	38.6	62%	0.615	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.6	-179.7	-67.6	172.6	-168.5	149.8	6.3	113.6	Q84 H85 I86	Q84-R88 WeakPolarHBondContact O-CG 3.3Å; Q84-R88 PolarHBondContact O-N 2.85Å; H85-R88 PolarHBondContact O-N 3.36Å; H85-R88 VanDerWaalsContact O-N 3.16Å; I86-R88 PolarHBondContact O-N 3.46Å
89	R	89.2	Confident	92.7	Very high	55 Å²	55	32.2 Å²	32.2	21%	0.208	16%	0.156	C	C	.	.			trans	-85.3	142.2	-174.3	-65.5	-74.1	-60.5	-88.3	-19.1	110	H85 I86 C91 E96 P293	H85-R89 WeakPolarHBondContact O-CG 3.31Å; I86-R89 WeakPolarHBondContact O-CB 3.39Å; I86-R89 PolarHBondContact O-N 3.5Å; I86-R89 VanDerWaalsContact O-N 3.08Å; R89-C91 PolarHBondContact NH2-O 2.87Å; R89-C91 VanDerWaalsContact NH2-O 3.13Å; R89-E96 IonicContact CZ-OE1 3.4Å; R89-E96 IonicContact NH1-OE1 3.15Å; R89-E96 PolarHBondContact NH1-OE1 3.06Å; R89-E96 VanDerWaalsContact NH1-OE1 3.17Å; R89-E96 VanDerWaalsContact NH2-CD 3.35Å; R89-E96 IonicContact NH2-OE1 2.91Å; R89-E96 PolarHBondContact NH2-OE1 3.26Å; R89-E96 IonicContact NH2-OE2 3.66Å; R89-E96 PolarHBondContact NH2-OE2 3.47Å; R89-P293 VanDerWaalsContact O-CB 3.26Å; R89-P293 WeakPolarHBondContact O-CB 3.19Å
90	V	87.9	Confident	93.1	Very high	147 Å²	147	32.2 Å²	32.2	89%	0.891	16%	0.156	S	C	*	.	S	Bend	trans	-72.1	-36.1	171.5	179.1	0	0	0	0	111.1
91	C	91	Very high	93.4	Very high	58 Å²	58	32 Å²	32	39%	0.392	15%	0.153	S	C	.	.			trans	-139	136.1	179.4	-175.7	0	0	0	0	109.4	R89	R89-C91 PolarHBondContact NH2-O 2.87Å; R89-C91 VanDerWaalsContact NH2-O 3.13Å
92	F	94.8	Very high	93.8	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.			trans	-134.7	130.3	172.3	-177.4	-115.7	0	0	0	108.2	I86 E96 A97 V134 M200 L290 P293	I86-F92 HydrophobicContact CD1-CD1 4.3Å; I86-F92 HydrophobicContact CD1-CE1 3.78Å; I86-F92 HydrophobicContact CD1-CE2 4.2Å; I86-F92 HydrophobicContact CD1-CZ 3.71Å; I86-F92 HydrophobicContact CG1-CD1 4.38Å; I86-F92 HydrophobicContact CG1-CD2 4.2Å; I86-F92 HydrophobicContact CG1-CE1 4.24Å; I86-F92 HydrophobicContact CG1-CE2 4.04Å; I86-F92 HydrophobicContact CG1-CG 4.36Å; I86-F92 HydrophobicContact CG1-CZ 4.06Å; I86-F92 HydrophobicContact CG2-CB 4.14Å; I86-F92 HydrophobicContact CG2-CD1 3.83Å; I86-F92 HydrophobicContact CG2-CE1 4.38Å; I86-F92 HydrophobicContact CG2-CG 3.92Å; F92-E96 VanDerWaalsContact CA-OE2 3.32Å; F92-E96 WeakPolarHBondContact CA-OE2 3.33Å; F92-E96 HydrophobicContact CD2-CB 3.83Å; F92-E96 HydrophobicContact CE2-CB 3.58Å; F92-E96 HydrophobicContact CZ-CB 4.4Å; F92-A97 HydrophobicContact CE1-CB 3.91Å; F92-A97 HydrophobicContact CZ-CB 3.76Å; F92-V134 HydrophobicContact CE2-CG1 4.26Å; F92-V134 HydrophobicContact CE2-CG2 4.08Å; F92-M200 HydrophobicContact CE1-CB 4.1Å; F92-M200 HydrophobicContact CZ-SD 4.19Å; F92-L290 HydrophobicContact CD1-CB 4.49Å; F92-L290 HydrophobicContact CD1-CD1 3.61Å; F92-L290 HydrophobicContact CE1-CD1 3.8Å; F92-L290 VanDerWaalsContact O-CB 3.29Å; F92-L290 WeakPolarHBondContact O-CB 3.34Å; F92-L290 PolarHBondContact O-N 2.89Å; F92-P293 HydrophobicContact CB-CG 3.75Å
93	T	96.6	Very high	94	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.08	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-114.4	164.6	-172.4	66.3	0	0	0	0	113.3	W95 E96 A97 T288	T93-W95 PolarHBondContact O-N 3.45Å; T93-E96 PolarHBondContact N-OE2 2.79Å; T93-E96 PolarHBondContact O-N 2.66Å; T93-E96 PolarHBondContact OG1-N 2.7Å; T93-A97 PolarHBondContact O-N 3.34Å; T93-T288 VanDerWaalsContact CA-O 3.26Å; T93-T288 WeakPolarHBondContact CA-O 3.42Å; T93-T288 WeakPolarHBondContact CB-O 3.39Å
94	E	97.6	Very high	94.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.2	-39.5	171	-70.4	-173	-115	0	0	111.9	E96 A97 S98 L201 S251 W280 A285 P286 T288 L290	E94-E96 PolarHBondContact O-N 3.46Å; E94-A97 WeakPolarHBondContact O-CB 3.12Å; E94-A97 PolarHBondContact O-N 2.81Å; E94-S98 PolarHBondContact O-N 2.65Å; E94-L201 HydrophobicContact CG-CD2 4.03Å; E94-S251 PolarHBondContact OE1-N 3.44Å; E94-S251 VanDerWaalsContact OE1-N 3.09Å; E94-S251 VanDerWaalsContact OE2-CB 3.28Å; E94-S251 WeakPolarHBondContact OE2-CB 3.25Å; E94-S251 PolarHBondContact OE2-N 3.43Å; E94-S251 PolarHBondContact OE2-OG 3.37Å; E94-W280 HydrophobicContact CB-CZ2 4.17Å; E94-W280 WeakPolarHBondContact O-CZ2 3.32Å; E94-W280 PolarHBondContact OE2-NE1 2.65Å; E94-A285 HydrophobicContact CB-CB 4.08Å; E94-P286 WeakPolarHBondContact CB-O 3.43Å; E94-T288 PolarHBondContact N-O 3.1Å; E94-T288 VanDerWaalsContact N-O 3.14Å; E94-T288 VanDerWaalsContact OE1-CB 3.24Å; E94-T288 WeakPolarHBondContact OE1-CB 3.43Å; E94-T288 PolarHBondContact OE1-OG1 2.99Å; E94-L290 HydrophobicContact CG-CD2 3.76Å; E94-L290 HydrophobicContact CG-CG 4.45Å
95	W	97.2	Very high	94.9	Very high	99 Å²	99	36 Å²	36	38%	0.375	17%	0.168	S	C	.	.	H	α-helix	trans	-56.4	-46.9	174	-176.7	81	0	0	0	112.4	T93 S98 L99 P286 M287	T93-W95 PolarHBondContact O-N 3.45Å; W95-S98 PolarHBondContact O-N 2.83Å; W95-S98 PolarHBondContact O-OG 2.97Å; W95-L99 HydrophobicContact CD2-CD1 4.16Å; W95-L99 HydrophobicContact CE3-CD1 3.94Å; W95-L99 HydrophobicContact CH2-CD1 3.56Å; W95-L99 HydrophobicContact CZ2-CD1 3.76Å; W95-L99 HydrophobicContact CZ2-CG 4.5Å; W95-L99 HydrophobicContact CZ3-CD1 3.65Å; W95-L99 WeakPolarHBondContact O-CG 3.29Å; W95-L99 PolarHBondContact O-N 3Å; W95-L99 VanDerWaalsContact O-N 3.17Å; W95-P286 PolarHBondContact N-O 3.1Å; W95-M287 HydrophobicContact CB-CE 4.01Å; W95-M287 HydrophobicContact CB-SD 3.65Å; W95-M287 HydrophobicContact CD2-CE 3.44Å; W95-M287 VanDerWaalsContact CD2-CE 3.44Å; W95-M287 HydrophobicContact CD2-SD 4.1Å; W95-M287 HydrophobicContact CE3-CE 3.74Å; W95-M287 HydrophobicContact CE3-SD 4.17Å; W95-M287 HydrophobicContact CG-CE 3.55Å; W95-M287 HydrophobicContact CG-SD 3.89Å; W95-M287 HydrophobicContact CZ2-CE 4.47Å; W95-M287 HydrophobicContact CZ3-CE 4.37Å
96	E	96.8	Very high	95.2	Very high	26 Å²	26	37.5 Å²	37.5	12%	0.121	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-41.4	176.4	-73.9	-173.5	114.2	0	0	112.3	R89 F92 T93 E94 S98 L99 V100 V134	R89-E96 IonicContact CZ-OE1 3.4Å; R89-E96 IonicContact NH1-OE1 3.15Å; R89-E96 PolarHBondContact NH1-OE1 3.06Å; R89-E96 VanDerWaalsContact NH1-OE1 3.17Å; R89-E96 VanDerWaalsContact NH2-CD 3.35Å; R89-E96 IonicContact NH2-OE1 2.91Å; R89-E96 PolarHBondContact NH2-OE1 3.26Å; R89-E96 IonicContact NH2-OE2 3.66Å; R89-E96 PolarHBondContact NH2-OE2 3.47Å; F92-E96 VanDerWaalsContact CA-OE2 3.32Å; F92-E96 WeakPolarHBondContact CA-OE2 3.33Å; F92-E96 HydrophobicContact CD2-CB 3.83Å; F92-E96 HydrophobicContact CE2-CB 3.58Å; F92-E96 HydrophobicContact CZ-CB 4.4Å; T93-E96 PolarHBondContact N-OE2 2.79Å; T93-E96 PolarHBondContact O-N 2.66Å; T93-E96 PolarHBondContact OG1-N 2.7Å; E94-E96 PolarHBondContact O-N 3.46Å; E96-S98 VanDerWaalsContact C-N 3.28Å; E96-S98 PolarHBondContact O-N 3.16Å; E96-L99 PolarHBondContact O-N 2.66Å; E96-V100 WeakPolarHBondContact O-CG2 3.37Å; E96-V100 PolarHBondContact O-N 3.13Å; E96-V100 VanDerWaalsContact O-N 3.14Å; E96-V134 HydrophobicContact CB-CG1 4.03Å; E96-V134 HydrophobicContact CG-CG1 4.3Å
97	A	97.4	Very high	95.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-38	174.7	0	0	0	0	0	111.9	F92 T93 E94 V100 I101 M200 L201 W280 L290	F92-A97 HydrophobicContact CE1-CB 3.91Å; F92-A97 HydrophobicContact CZ-CB 3.76Å; T93-A97 PolarHBondContact O-N 3.34Å; E94-A97 WeakPolarHBondContact O-CB 3.12Å; E94-A97 PolarHBondContact O-N 2.81Å; A97-V100 PolarHBondContact O-N 3.49Å; A97-I101 WeakPolarHBondContact O-CG1 3.39Å; A97-I101 PolarHBondContact O-N 3.31Å; A97-M200 HydrophobicContact CB-CB 4.44Å; A97-M200 HydrophobicContact CB-CE 4.34Å; A97-L201 HydrophobicContact CB-CD2 4.17Å; A97-W280 HydrophobicContact CB-CH2 3.9Å; A97-W280 HydrophobicContact CB-CZ2 4.37Å; A97-L290 HydrophobicContact CB-CD1 4.44Å
98	S	97.9	Very high	95.7	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-69.5	-35.3	179.2	85.8	0	0	0	0	112.8	E94 W95 E96 I101 R102 W280	E94-S98 PolarHBondContact O-N 2.65Å; W95-S98 PolarHBondContact O-N 2.83Å; W95-S98 PolarHBondContact O-OG 2.97Å; E96-S98 VanDerWaalsContact C-N 3.28Å; E96-S98 PolarHBondContact O-N 3.16Å; S98-I101 PolarHBondContact O-N 2.84Å; S98-R102 WeakPolarHBondContact O-CB 3.09Å; S98-R102 PolarHBondContact O-N 3.07Å; S98-W280 VanDerWaalsContact CA-CH2 3.45Å; S98-W280 VanDerWaalsContact CB-CZ3 3.41Å; S98-W280 WeakPolarHBondContact CB-O 3.44Å; S98-W280 VanDerWaalsContact N-CH2 3.33Å
99	L	97.4	Very high	96	Very high	23 Å²	23	28.7 Å²	28.7	12%	0.12	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-41.7	171.6	-63	178.5	0	0	0	111.9	W95 E96 R102 D103 T135	W95-L99 HydrophobicContact CD2-CD1 4.16Å; W95-L99 HydrophobicContact CE3-CD1 3.94Å; W95-L99 HydrophobicContact CH2-CD1 3.56Å; W95-L99 HydrophobicContact CZ2-CD1 3.76Å; W95-L99 HydrophobicContact CZ2-CG 4.5Å; W95-L99 HydrophobicContact CZ3-CD1 3.65Å; W95-L99 WeakPolarHBondContact O-CG 3.29Å; W95-L99 PolarHBondContact O-N 3Å; W95-L99 VanDerWaalsContact O-N 3.17Å; E96-L99 PolarHBondContact O-N 2.66Å; L99-R102 WeakPolarHBondContact O-CB 3.31Å; L99-R102 PolarHBondContact O-N 2.6Å; L99-D103 PolarHBondContact O-N 3.07Å; L99-T135 HydrophobicContact CB-CG2 3.67Å
100	V	97.6	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-47.2	175.3	174	0	0	0	0	110.6	L82 E96 A97 R102 D103 V104 V134 T135 V137 M200	L82-V100 HydrophobicContact CD1-CG1 3.85Å; L82-V100 HydrophobicContact CD1-CG2 4.15Å; L82-V100 HydrophobicContact CD2-CG1 3.91Å; E96-V100 WeakPolarHBondContact O-CG2 3.37Å; E96-V100 PolarHBondContact O-N 3.13Å; E96-V100 VanDerWaalsContact O-N 3.14Å; A97-V100 PolarHBondContact O-N 3.49Å; V100-R102 VanDerWaalsContact C-N 3.32Å; V100-R102 PolarHBondContact O-N 3.12Å; V100-D103 PolarHBondContact O-N 3.17Å; V100-V104 HydrophobicContact CG1-CG2 4.43Å; V100-V104 WeakPolarHBondContact O-CG2 3.24Å; V100-V104 PolarHBondContact O-N 3.45Å; V100-V134 HydrophobicContact CG2-CG1 4.17Å; V100-V134 HydrophobicContact CG2-CG2 3.64Å; V100-T135 HydrophobicContact CG2-CG2 3.81Å; V100-V137 HydrophobicContact CG1-CG1 4.28Å; V100-V137 HydrophobicContact CG1-CG2 4.18Å; V100-V137 HydrophobicContact CG2-CG1 4.23Å; V100-M200 HydrophobicContact CB-CE 4.3Å; V100-M200 HydrophobicContact CB-SD 4.06Å; V100-M200 HydrophobicContact CG1-CE 4.07Å; V100-M200 HydrophobicContact CG1-SD 3.74Å
101	I	98.1	Very high	96.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-41.7	177.5	-68.1	-54.8	0	0	0	111.7	A97 S98 D103 V104 A105 L193 L197 M200 L257 V275 W280 V281	A97-I101 WeakPolarHBondContact O-CG1 3.39Å; A97-I101 PolarHBondContact O-N 3.31Å; S98-I101 PolarHBondContact O-N 2.84Å; I101-D103 VanDerWaalsContact C-N 3.35Å; I101-D103 PolarHBondContact O-N 2.9Å; I101-V104 PolarHBondContact O-N 3.45Å; I101-A105 WeakPolarHBondContact O-CB 3.38Å; I101-A105 PolarHBondContact O-N 3.42Å; I101-L193 HydrophobicContact CD1-CD1 3.59Å; I101-L193 HydrophobicContact CD1-CG 4.13Å; I101-L193 HydrophobicContact CG2-CD2 4.41Å; I101-L197 HydrophobicContact CD1-CB 3.8Å; I101-L197 HydrophobicContact CD1-CD1 4.22Å; I101-L197 HydrophobicContact CD1-CG 4.42Å; I101-L197 HydrophobicContact CG1-CB 4.3Å; I101-L197 HydrophobicContact CG1-CD1 3.81Å; I101-L197 HydrophobicContact CG1-CD2 4.39Å; I101-L197 HydrophobicContact CG1-CG 4.37Å; I101-M200 HydrophobicContact CD1-CE 3.42Å; I101-M200 VanDerWaalsContact CD1-CE 3.42Å; I101-M200 HydrophobicContact CG1-CE 3.69Å; I101-L257 HydrophobicContact CG2-CD2 4.41Å; I101-V275 HydrophobicContact CG2-CG1 3.94Å; I101-W280 HydrophobicContact CB-CZ3 4.3Å; I101-W280 HydrophobicContact CG1-CZ3 4.06Å; I101-V281 HydrophobicContact CG2-CG2 4.18Å
102	R	98	Very high	96.4	Very high	107 Å²	107	19.8 Å²	19.8	40%	0.404	9%	0.092	S	C	.	.	H	α-helix	trans	-58	-48	176.6	-171.3	-168.5	64.8	-165.3	-4.3	111.6	S98 L99 V100 A105 S106 L276 V281	S98-R102 WeakPolarHBondContact O-CB 3.09Å; S98-R102 PolarHBondContact O-N 3.07Å; L99-R102 WeakPolarHBondContact O-CB 3.31Å; L99-R102 PolarHBondContact O-N 2.6Å; V100-R102 VanDerWaalsContact C-N 3.32Å; V100-R102 PolarHBondContact O-N 3.12Å; R102-A105 PolarHBondContact O-N 3.25Å; R102-S106 WeakPolarHBondContact O-CB 3.46Å; R102-S106 PolarHBondContact O-N 3.37Å; R102-L276 HydrophobicContact CG-CD2 4.42Å; R102-V281 HydrophobicContact CB-CG1 3.75Å; R102-V281 HydrophobicContact CG-CG1 3.92Å
103	D	98	Very high	96.2	Very high	10 Å²	10	26 Å²	26	5%	0.053	13%	0.125	C	C	.	.	H	α-helix	trans	-64.7	-43.1	-178.8	-79.9	13	0	0	0	111.7	N56 L99 V100 I101 S106 A107 P136 V137	N56-D103 WeakPolarHBondContact CB-O 3.42Å; N56-D103 VanDerWaalsContact ND2-CB 3.26Å; N56-D103 WeakPolarHBondContact ND2-CB 3.21Å; N56-D103 PolarHBondContact ND2-OD2 2.99Å; L99-D103 PolarHBondContact O-N 3.07Å; V100-D103 PolarHBondContact O-N 3.17Å; I101-D103 VanDerWaalsContact C-N 3.35Å; I101-D103 PolarHBondContact O-N 2.9Å; D103-S106 WeakPolarHBondContact O-CB 3.38Å; D103-S106 PolarHBondContact O-N 3.48Å; D103-A107 PolarHBondContact O-N 3.14Å; D103-A107 VanDerWaalsContact O-N 3.14Å; D103-P136 VanDerWaalsContact OD2-CA 3.23Å; D103-P136 WeakPolarHBondContact OD2-CA 3.2Å; D103-V137 HydrophobicContact CB-CG2 3.43Å; D103-V137 VanDerWaalsContact CB-CG2 3.43Å; D103-V137 PolarHBondContact OD2-N 2.66Å; D103-V137 VanDerWaalsContact OD2-N 3.1Å
104	V	97.7	Very high	95.7	Very high	2 Å²	2	29 Å²	29	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-67.8	-42.8	176	-178.8	0	0	0	0	111	V100 I101 S106 A107 L108 I126 V137 L193	V100-V104 HydrophobicContact CG1-CG2 4.43Å; V100-V104 WeakPolarHBondContact O-CG2 3.24Å; V100-V104 PolarHBondContact O-N 3.45Å; I101-V104 PolarHBondContact O-N 3.45Å; V104-S106 VanDerWaalsContact C-N 3.27Å; V104-S106 PolarHBondContact O-N 3.01Å; V104-A107 WeakPolarHBondContact O-CB 3.36Å; V104-A107 PolarHBondContact O-N 3.1Å; V104-L108 HydrophobicContact CG1-CD1 4.19Å; V104-L108 HydrophobicContact CG1-CG 4.39Å; V104-L108 WeakPolarHBondContact O-CG 3.26Å; V104-L108 PolarHBondContact O-N 3.01Å; V104-I126 HydrophobicContact CG1-CD1 4.4Å; V104-I126 HydrophobicContact CG2-CD1 3.78Å; V104-I126 HydrophobicContact CG2-CG1 4.11Å; V104-I126 HydrophobicContact CG2-CG2 4.05Å; V104-V137 HydrophobicContact CG2-CG2 3.93Å; V104-L193 HydrophobicContact CB-CD1 3.91Å; V104-L193 HydrophobicContact CG1-CD1 3.62Å
105	A	97.7	Very high	95	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-34.8	176	0	0	0	0	0	111.8	I101 R102 L108 S109 L193 V272 V275 L276	I101-A105 WeakPolarHBondContact O-CB 3.38Å; I101-A105 PolarHBondContact O-N 3.42Å; R102-A105 PolarHBondContact O-N 3.25Å; A105-L108 PolarHBondContact O-N 2.85Å; A105-S109 VanDerWaalsContact O-CB 3.24Å; A105-S109 WeakPolarHBondContact O-CB 3.48Å; A105-S109 PolarHBondContact O-N 3.4Å; A105-L193 HydrophobicContact CB-CD2 4.35Å; A105-V272 HydrophobicContact CB-CG2 4.15Å; A105-V272 WeakPolarHBondContact O-CG2 3.26Å; A105-V275 HydrophobicContact CB-CB 4.46Å; A105-V275 HydrophobicContact CB-CG1 3.95Å; A105-L276 HydrophobicContact CB-CD2 3.72Å; A105-L276 HydrophobicContact CB-CG 3.97Å
106	S	97.6	Very high	94.4	Very high	36 Å²	36	25.3 Å²	25.3	25%	0.252	13%	0.133	S	C	.	.	H	α-helix	trans	-59.9	-49.8	172.3	-177.4	0	0	0	0	111.1	H54 N56 R102 D103 V104 L108 S109 F110	H54-S106 PolarHBondContact CE1-OG 2.71Å; H54-S106 PolarHBondContact NE2-O 3.43Å; H54-S106 PolarHBondContact NE2-OG 2.68Å; N56-S106 PolarHBondContact OD1-OG 3.01Å; R102-S106 WeakPolarHBondContact O-CB 3.46Å; R102-S106 PolarHBondContact O-N 3.37Å; D103-S106 WeakPolarHBondContact O-CB 3.38Å; D103-S106 PolarHBondContact O-N 3.48Å; V104-S106 VanDerWaalsContact C-N 3.27Å; V104-S106 PolarHBondContact O-N 3.01Å; S106-L108 PolarHBondContact O-N 2.99Å; S106-S109 WeakPolarHBondContact O-CB 3.29Å; S106-S109 PolarHBondContact O-N 2.87Å; S106-F110 PolarHBondContact O-N 3.45Å
107	A	96.8	Very high	93.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-45.3	175.8	0	0	0	0	0	112.8	H54 N56 I57 D103 V104 F110 L111 L139	H54-A107 PolarHBondContact CE1-N 3.3Å; N56-A107 HydrophobicContact CB-CB 3.97Å; N56-A107 WeakPolarHBondContact O-CB 3.31Å; I57-A107 HydrophobicContact CD1-CB 4.39Å; I57-A107 HydrophobicContact CG1-CB 3.77Å; D103-A107 PolarHBondContact O-N 3.14Å; D103-A107 VanDerWaalsContact O-N 3.14Å; V104-A107 WeakPolarHBondContact O-CB 3.36Å; V104-A107 PolarHBondContact O-N 3.1Å; A107-F110 PolarHBondContact O-N 3.45Å; A107-L111 WeakPolarHBondContact O-CG 3.46Å; A107-L111 PolarHBondContact O-N 3.49Å; A107-L139 HydrophobicContact CB-CB 4.09Å; A107-L139 HydrophobicContact CB-CD2 4.25Å
108	L	95.6	Very high	93.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.2	-39.3	177.7	-69.2	178.1	0	0	0	111.9	V104 A105 S106 F110 L111 H112 H118 V121 L139 D189 L193 V272	V104-L108 HydrophobicContact CG1-CD1 4.19Å; V104-L108 HydrophobicContact CG1-CG 4.39Å; V104-L108 WeakPolarHBondContact O-CG 3.26Å; V104-L108 PolarHBondContact O-N 3.01Å; A105-L108 PolarHBondContact O-N 2.85Å; S106-L108 PolarHBondContact O-N 2.99Å; L108-F110 VanDerWaalsContact C-N 3.32Å; L108-F110 PolarHBondContact O-N 3.12Å; L108-L111 PolarHBondContact O-N 3.47Å; L108-H112 WeakPolarHBondContact O-CB 3.49Å; L108-H112 PolarHBondContact O-CD2 3.4Å; L108-H112 PolarHBondContact O-N 3.25Å; L108-H118 HydrophobicContact CD2-CB 4.04Å; L108-V121 HydrophobicContact CD2-CG2 3.82Å; L108-L139 HydrophobicContact CD2-CD2 3.95Å; L108-D189 HydrophobicContact CD1-CB 4.01Å; L108-D189 HydrophobicContact CD2-CB 3.85Å; L108-L193 HydrophobicContact CD1-CD2 4.4Å; L108-V272 HydrophobicContact CB-CG2 4.06Å
109	S	95.4	Very high	92.8	Very high	23 Å²	23	27.3 Å²	27.3	16%	0.161	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-46.4	176.4	-175.1	0	0	0	0	110.8	A105 S106 H112 N113	A105-S109 VanDerWaalsContact O-CB 3.24Å; A105-S109 WeakPolarHBondContact O-CB 3.48Å; A105-S109 PolarHBondContact O-N 3.4Å; S106-S109 WeakPolarHBondContact O-CB 3.29Å; S106-S109 PolarHBondContact O-N 2.87Å; S109-H112 PolarHBondContact O-N 2.73Å; S109-N113 WeakPolarHBondContact O-CB 3.41Å; S109-N113 PolarHBondContact O-N 2.71Å; S109-N113 PolarHBondContact O-ND2 3.5Å; S109-N113 VanDerWaalsContact O-ND2 3.15Å
110	F	94.5	Very high	92.2	Very high	61 Å²	61	27 Å²	27	27%	0.268	14%	0.138	S	C	.	.	H	α-helix	trans	-59.6	-50.5	175.9	-176.8	-90.3	0	0	0	112.2	W50 C51 H54 I57 S106 A107 L108 H112 N113 L114	W50-F110 WeakPolarHBondContact O-CZ 3.4Å; C51-F110 HydrophobicContact CB-CE1 4.06Å; H54-F110 HydrophobicContact CB-CD1 4.48Å; H54-F110 HydrophobicContact CB-CG 4.49Å; H54-F110 AromaticContact CD2-CD2 3.61Å; H54-F110 AromaticContact CD2-CG 3.51Å; I57-F110 HydrophobicContact CD1-CD1 3.83Å; S106-F110 PolarHBondContact O-N 3.45Å; A107-F110 PolarHBondContact O-N 3.45Å; L108-F110 VanDerWaalsContact C-N 3.32Å; L108-F110 PolarHBondContact O-N 3.12Å; F110-H112 PolarHBondContact O-N 3.4Å; F110-N113 PolarHBondContact O-N 3.05Å; F110-L114 HydrophobicContact CD1-CD1 4.09Å; F110-L114 HydrophobicContact CE1-CD1 3.38Å; F110-L114 HydrophobicContact CE1-CG 4.17Å; F110-L114 HydrophobicContact CZ-CD1 3.89Å; F110-L114 HydrophobicContact CZ-CG 4.43Å; F110-L114 PolarHBondContact O-N 2.79Å; F110-L114 VanDerWaalsContact O-N 3.16Å
111	L	91.7	Very high	91.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-46.6	177.1	-71.4	170.5	0	0	0	111.9	C51 I57 A107 L108 N113 L114 G115 I116 H118 L139 L142	C51-L111 WeakPolarHBondContact SG-CD2 3.49Å; I57-L111 HydrophobicContact CD1-CD2 4.26Å; I57-L111 HydrophobicContact CD1-CG 4.05Å; A107-L111 WeakPolarHBondContact O-CG 3.46Å; A107-L111 PolarHBondContact O-N 3.49Å; L108-L111 PolarHBondContact O-N 3.47Å; L111-N113 VanDerWaalsContact C-N 3.28Å; L111-N113 PolarHBondContact O-N 2.93Å; L111-L114 CarbonylContact O-C 3.56Å; L111-L114 WeakPolarHBondContact O-CA 3.48Å; L111-L114 WeakPolarHBondContact O-CB 3.46Å; L111-L114 PolarHBondContact O-N 2.8Å; L111-G115 PolarHBondContact O-N 3.39Å; L111-I116 CarbonylContact C-O 3.54Å; L111-I116 HydrophobicContact CB-CB 4.44Å; L111-I116 HydrophobicContact CD2-CB 4.38Å; L111-I116 HydrophobicContact CD2-CG2 4.14Å; L111-I116 WeakPolarHBondContact O-CA 3.47Å; L111-I116 WeakPolarHBondContact O-CB 3.39Å; L111-I116 PolarHBondContact O-N 3.4Å; L111-H118 HydrophobicContact CD1-CB 4.17Å; L111-L139 HydrophobicContact CD1-CD2 4.07Å; L111-L142 HydrophobicContact CD1-CD2 4.25Å
112	H	90.9	Very high	91.3	Very high	12 Å²	12	28 Å²	28	6%	0.056	14%	0.142	C	C	.	.	H	α-helix	trans	-64.3	-35.1	-177.8	-71.8	-172.1	0	0	0	111.7	L108 S109 F110 L114 G115 I116 K186 D189	L108-H112 WeakPolarHBondContact O-CB 3.49Å; L108-H112 PolarHBondContact O-CD2 3.4Å; L108-H112 PolarHBondContact O-N 3.25Å; S109-H112 PolarHBondContact O-N 2.73Å; F110-H112 PolarHBondContact O-N 3.4Å; H112-L114 VanDerWaalsContact C-N 3.34Å; H112-G115 PolarHBondContact O-N 3.11Å; H112-I116 PolarHBondContact CD2-O 3.07Å; H112-I116 VanDerWaalsContact CD2-O 3.32Å; H112-I116 PolarHBondContact N-O 3.06Å; H112-K186 HydrophobicContact CB-CD 3.95Å; H112-K186 HydrophobicContact CB-CG 4.25Å; H112-K186 PolarHBondContact CE1-O 2.92Å; H112-K186 WeakPolarHBondContact O-CE 3.37Å; H112-K186 PolarHBondContact O-NZ 2.89Å; H112-D189 IonicContact CD2-OD2 3.21Å; H112-D189 IonicContact CE1-OD2 3.24Å; H112-D189 IonicContact NE2-OD2 2.77Å; H112-D189 PolarHBondContact NE2-OD2 3.34Å
113	N	89.2	Confident	90.7	Very high	131 Å²	131	23 Å²	23	70%	0.701	12%	0.123	S	C	*	.	H	α-helix	trans	-68.3	-31.9	174.1	-70.7	-21	0	0	0	112.5	S109 F110 L111 G115	S109-N113 WeakPolarHBondContact O-CB 3.41Å; S109-N113 PolarHBondContact O-N 2.71Å; S109-N113 PolarHBondContact O-ND2 3.5Å; S109-N113 VanDerWaalsContact O-ND2 3.15Å; F110-N113 PolarHBondContact O-N 3.05Å; L111-N113 VanDerWaalsContact C-N 3.28Å; L111-N113 PolarHBondContact O-N 2.93Å; N113-G115 PolarHBondContact O-N 3.22Å
114	L	86.8	Confident	90.1	Very high	75 Å²	75	24.7 Å²	24.7	39%	0.393	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-1.6	169.5	-66.1	-179.6	0	0	0	113.5	W50 F110 L111 H112 I116	W50-L114 HydrophobicContact CB-CD1 4.06Å; F110-L114 HydrophobicContact CD1-CD1 4.09Å; F110-L114 HydrophobicContact CE1-CD1 3.38Å; F110-L114 HydrophobicContact CE1-CG 4.17Å; F110-L114 HydrophobicContact CZ-CD1 3.89Å; F110-L114 HydrophobicContact CZ-CG 4.43Å; F110-L114 PolarHBondContact O-N 2.79Å; F110-L114 VanDerWaalsContact O-N 3.16Å; L111-L114 CarbonylContact O-C 3.56Å; L111-L114 WeakPolarHBondContact O-CA 3.48Å; L111-L114 WeakPolarHBondContact O-CB 3.46Å; L111-L114 PolarHBondContact O-N 2.8Å; H112-L114 VanDerWaalsContact C-N 3.34Å; L114-I116 VanDerWaalsContact C-N 3.31Å; L114-I116 HydrophobicContact CB-CD1 4.06Å; L114-I116 HydrophobicContact CB-CG1 4.06Å; L114-I116 HydrophobicContact CD1-CD1 4.42Å
115	G	83.8	Confident	89.8	Confident	21 Å²	21	25 Å²	25	22%	0.216	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	14.8	-174.9	0	0	0	0	0	113.8	L111 H112 N113	L111-G115 PolarHBondContact O-N 3.39Å; H112-G115 PolarHBondContact O-N 3.11Å; N113-G115 PolarHBondContact O-N 3.22Å
116	I	84.5	Confident	89.6	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.			trans	-105.3	127.4	-175.6	-57	-179.9	0	0	0	108.9	T47 W50 L111 H112 L114 A145 T147	T47-I116 HydrophobicContact CG2-CD1 3.89Å; T47-I116 HydrophobicContact CG2-CG2 4.38Å; W50-I116 HydrophobicContact CE3-CD1 4.01Å; W50-I116 HydrophobicContact CZ3-CD1 4.34Å; L111-I116 CarbonylContact C-O 3.54Å; L111-I116 HydrophobicContact CB-CB 4.44Å; L111-I116 HydrophobicContact CD2-CB 4.38Å; L111-I116 HydrophobicContact CD2-CG2 4.14Å; L111-I116 WeakPolarHBondContact O-CA 3.47Å; L111-I116 WeakPolarHBondContact O-CB 3.39Å; L111-I116 PolarHBondContact O-N 3.4Å; H112-I116 PolarHBondContact CD2-O 3.07Å; H112-I116 VanDerWaalsContact CD2-O 3.32Å; H112-I116 PolarHBondContact N-O 3.06Å; L114-I116 VanDerWaalsContact C-N 3.31Å; L114-I116 HydrophobicContact CB-CD1 4.06Å; L114-I116 HydrophobicContact CB-CG1 4.06Å; L114-I116 HydrophobicContact CD1-CD1 4.42Å; I116-A145 HydrophobicContact CG2-CB 3.76Å; I116-T147 HydrophobicContact CD1-CG2 4.46Å; I116-T147 HydrophobicContact CG1-CG2 4.22Å
117	A	85.9	Confident	89.4	Confident	3 Å²	3	23.7 Å²	23.7	3%	0.025	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-95.9	138.8	164.7	0	0	0	0	0	108.9	R119 A145 D185 K186	A117-R119 HydrophobicContact CB-CG 3.94Å; A117-A145 WeakPolarHBondContact O-CA 3.21Å; A117-D185 HydrophobicContact CB-CB 3.73Å; A117-K186 HydrophobicContact CB-CG 4.34Å
118	H	87.3	Confident	89.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.			trans	-70.1	-43.1	178.9	-175.2	-78.8	0	0	0	111	L108 L111 D120 V121 L139 C140 D141 L142 D189	L108-H118 HydrophobicContact CD2-CB 4.04Å; L111-H118 HydrophobicContact CD1-CB 4.17Å; H118-D120 VanDerWaalsContact CE1-C 3.41Å; H118-D120 PolarHBondContact CE1-O 3.31Å; H118-D120 VanDerWaalsContact CE1-O 3.24Å; H118-D120 WeakPolarHBondContact ND1-CA 3.27Å; H118-D120 PolarHBondContact ND1-N 3.04Å; H118-D120 VanDerWaalsContact ND1-N 3.15Å; H118-D120 PolarHBondContact ND1-O 2.91Å; H118-D120 PolarHBondContact O-N 2.9Å; H118-V121 HydrophobicContact CB-CG2 3.77Å; H118-V121 PolarHBondContact ND1-N 3.5Å; H118-L139 HydrophobicContact CB-CD2 4.48Å; H118-L139 WeakPolarHBondContact CD2-CD2 3.33Å; H118-C140 PolarHBondContact NE2-O 3.4Å; H118-D141 PolarHBondContact NE2-O 3.2Å; H118-L142 WeakPolarHBondContact CD2-CD2 3.48Å; H118-D189 PolarHBondContact N-OD2 2.78Å
119	R	84.5	Confident	89.2	Confident	68 Å²	68	24.5 Å²	24.5	26%	0.257	13%	0.127	S	C	.	.			trans	66.8	-25.1	-179.4	-59.1	-179.6	172	171.6	0.3	115.6	A117 S146 D185 D189 R317	A117-R119 HydrophobicContact CB-CG 3.94Å; R119-S146 VanDerWaalsContact CZ-CB 3.4Å; R119-D185 IonicContact CZ-OD2 2.91Å; R119-D185 IonicContact NE-OD1 2.78Å; R119-D185 IonicContact NE-OD2 2.7Å; R119-D185 VanDerWaalsContact NH2-CG 3.33Å; R119-D185 IonicContact NH2-OD1 3.31Å; R119-D185 IonicContact NH2-OD2 3.23Å; R119-D185 PolarHBondContact NH2-OD2 3.16Å; R119-D189 WeakPolarHBondContact CA-OD1 3.49Å; R119-D189 PolarHBondContact N-OD1 2.89Å; R119-R317 VanDerWaalsContact O-CZ 3.27Å; R119-R317 PolarHBondContact O-NE 3.19Å; R119-R317 VanDerWaalsContact O-NE 3.1Å; R119-R317 PolarHBondContact O-NH2 2.85Å
120	D	85.3	Confident	89	Confident	18 Å²	18	27.9 Å²	27.9	10%	0.096	14%	0.141	C	C	.	.			trans	-112.7	38.5	-179.4	-152.6	51.9	0	0	0	113.8	H118 K122 N125 L144 R317	H118-D120 VanDerWaalsContact CE1-C 3.41Å; H118-D120 PolarHBondContact CE1-O 3.31Å; H118-D120 VanDerWaalsContact CE1-O 3.24Å; H118-D120 WeakPolarHBondContact ND1-CA 3.27Å; H118-D120 PolarHBondContact ND1-N 3.04Å; H118-D120 VanDerWaalsContact ND1-N 3.15Å; H118-D120 PolarHBondContact ND1-O 2.91Å; H118-D120 PolarHBondContact O-N 2.9Å; D120-K122 PolarHBondContact O-N 3.47Å; D120-K122 VanDerWaalsContact OD2-CE 3.29Å; D120-K122 WeakPolarHBondContact OD2-CE 3.35Å; D120-K122 IonicContact OD2-NZ 3.95Å; D120-N125 PolarHBondContact O-ND2 3.42Å; D120-N125 PolarHBondContact OD2-ND2 2.92Å; D120-L144 HydrophobicContact CB-CD1 3.89Å; D120-R317 VanDerWaalsContact CA-NH2 3.26Å; D120-R317 VanDerWaalsContact CB-NH2 3.35Å; D120-R317 IonicContact OD1-CZ 3.23Å; D120-R317 IonicContact OD1-NH2 2.66Å; D120-R317 PolarHBondContact OD1-NH2 3.02Å
121	V	89.3	Confident	88.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.			trans	-70.3	115.2	177.7	-175.4	0	0	0	0	108.2	L108 H118 D189 S192 I196	L108-V121 HydrophobicContact CD2-CG2 3.82Å; H118-V121 HydrophobicContact CB-CG2 3.77Å; H118-V121 PolarHBondContact ND1-N 3.5Å; V121-D189 HydrophobicContact CG2-CB 3.92Å; V121-S192 WeakPolarHBondContact O-CB 3.38Å; V121-S192 PolarHBondContact O-OG 2.9Å; V121-I196 HydrophobicContact CG1-CD1 3.75Å
122	K	86.2	Confident	88.8	Confident	22 Å²	22	35.2 Å²	35.2	10%	0.096	18%	0.182	C	C	.	.			trans	-152.3	160.4	179.2	61	179.5	175.2	176.9	0	109.8	D120 E124 N125 I126 E310	D120-K122 PolarHBondContact O-N 3.47Å; D120-K122 VanDerWaalsContact OD2-CE 3.29Å; D120-K122 WeakPolarHBondContact OD2-CE 3.35Å; D120-K122 IonicContact OD2-NZ 3.95Å; K122-E124 HydrophobicContact CD-CB 4.37Å; K122-E124 HydrophobicContact CG-CB 4.31Å; K122-E124 PolarHBondContact O-N 2.84Å; K122-E124 VanDerWaalsContact O-N 3.14Å; K122-N125 VanDerWaalsContact CE-ND2 3.33Å; K122-N125 WeakPolarHBondContact CE-ND2 3.35Å; K122-N125 HydrophobicContact CG-CB 4.12Å; K122-N125 PolarHBondContact O-N 2.97Å; K122-I126 PolarHBondContact O-N 3.18Å; K122-E310 HydrophobicContact CD-CG 3.72Å; K122-E310 IonicContact NZ-OE1 3.75Å; K122-E310 PolarHBondContact NZ-OE1 2.6Å
123	P	86.8	Confident	88.9	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-60.6	-27.1	-175.7	-17.7	26.3	0	0	0	114.6	L83 N125 I126 I196 A309	L83-P123 HydrophobicContact CD1-CB 3.91Å; L83-P123 HydrophobicContact CD1-CG 3.91Å; L83-P123 HydrophobicContact CD2-CB 4.46Å; L83-P123 HydrophobicContact CG-CB 3.65Å; L83-P123 HydrophobicContact CG-CG 4.13Å; P123-N125 VanDerWaalsContact C-N 3.29Å; P123-N125 PolarHBondContact O-N 3.02Å; P123-I126 PolarHBondContact O-N 2.97Å; P123-I196 HydrophobicContact CG-CG1 4.08Å; P123-A309 HydrophobicContact CG-CB 4.35Å
124	E	85.7	Confident	89.1	Confident	46 Å²	46	33 Å²	33	22%	0.215	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-66.3	-30.5	175.2	-57.3	-156	152.8	0	0	113.8	K122 I126 N306	K122-E124 HydrophobicContact CD-CB 4.37Å; K122-E124 HydrophobicContact CG-CB 4.31Å; K122-E124 PolarHBondContact O-N 2.84Å; K122-E124 VanDerWaalsContact O-N 3.14Å; E124-I126 VanDerWaalsContact C-N 3.29Å; E124-N306 HydrophobicContact CG-CB 3.64Å; E124-N306 VanDerWaalsContact CG-CG 3.42Å; E124-N306 WeakPolarHBondContact CG-ND2 3.45Å; E124-N306 WeakPolarHBondContact OE1-CB 3.42Å; E124-N306 PolarHBondContact OE1-ND2 2.78Å
125	N	90.8	Very high	89.4	Confident	9 Å²	9	30.9 Å²	30.9	5%	0.048	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-89	1.6	-179.9	-69.6	-11	0	0	0	111.9	D120 K122 P123 L139 C140	D120-N125 PolarHBondContact O-ND2 3.42Å; D120-N125 PolarHBondContact OD2-ND2 2.92Å; K122-N125 VanDerWaalsContact CE-ND2 3.33Å; K122-N125 WeakPolarHBondContact CE-ND2 3.35Å; K122-N125 HydrophobicContact CG-CB 4.12Å; K122-N125 PolarHBondContact O-N 2.97Å; P123-N125 VanDerWaalsContact C-N 3.29Å; P123-N125 PolarHBondContact O-N 3.02Å; N125-L139 CarbonylContact O-C 3.46Å; N125-L139 WeakPolarHBondContact O-CA 3.36Å; N125-C140 PolarHBondContact O-N 2.95Å; N125-C140 PolarHBondContact O-SG 2.89Å
126	I	93.5	Very high	90	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.9	173	-58.6	166.9	0	0	0	108	L82 V104 K122 P123 E124 V137 L139 I196	L82-I126 HydrophobicContact CB-CB 4.12Å; L82-I126 HydrophobicContact CB-CG2 4.1Å; L82-I126 HydrophobicContact CD2-CB 4.31Å; L82-I126 HydrophobicContact CD2-CD1 4.07Å; L82-I126 HydrophobicContact CD2-CG2 4.08Å; L82-I126 PolarHBondContact N-O 2.72Å; V104-I126 HydrophobicContact CG1-CD1 4.4Å; V104-I126 HydrophobicContact CG2-CD1 3.78Å; V104-I126 HydrophobicContact CG2-CG1 4.11Å; V104-I126 HydrophobicContact CG2-CG2 4.05Å; K122-I126 PolarHBondContact O-N 3.18Å; P123-I126 PolarHBondContact O-N 2.97Å; E124-I126 VanDerWaalsContact C-N 3.29Å; I126-V137 HydrophobicContact CG2-CB 3.74Å; I126-V137 HydrophobicContact CG2-CG1 4.06Å; I126-V137 HydrophobicContact CG2-CG2 3.97Å; I126-L139 HydrophobicContact CG1-CD1 4.12Å; I126-I196 HydrophobicContact CD1-CD1 3.65Å; I126-I196 HydrophobicContact CD1-CG2 4.07Å
127	L	93.7	Very high	90.6	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.5	-173.6	-58.8	-179.4	0	0	0	110.9	T16 V58 M77 G80 V137 K138 C140	T16-L127 HydrophobicContact CG2-CD2 4.5Å; V58-L127 HydrophobicContact CG2-CD1 4.37Å; M77-L127 HydrophobicContact CB-CB 3.71Å; M77-L127 HydrophobicContact CB-CD1 3.95Å; M77-L127 HydrophobicContact CB-CG 4.41Å; M77-L127 HydrophobicContact CE-CB 3.82Å; M77-L127 VanDerWaalsContact CE-O 3.24Å; M77-L127 WeakPolarHBondContact CE-O 3.42Å; M77-L127 HydrophobicContact CG-CB 3.68Å; M77-L127 HydrophobicContact CG-CD1 3.6Å; M77-L127 HydrophobicContact CG-CG 4.29Å; G80-L127 CarbonylContact O-C 3.55Å; G80-L127 WeakPolarHBondContact O-CA 3.49Å; L127-V137 WeakPolarHBondContact O-CA 3.41Å; L127-K138 PolarHBondContact N-O 3.35Å; L127-K138 PolarHBondContact O-N 2.91Å; L127-C140 HydrophobicContact CD1-CB 4Å
128	C	94.4	Very high	91.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.9	172.5	-65.2	0	0	0	0	109.5	G79 G80 H85 V134	G79-C128 WeakPolarHBondContact CA-O 3.13Å; G79-C128 PolarHBondContact N-O 3.05Å; G80-C128 PolarHBondContact O-N 3.24Å; H85-C128 HydrophobicContact CB-CB 4.38Å; C128-V134 PolarHBondContact SG-O 2.92Å; C128-V134 VanDerWaalsContact SG-O 3.35Å
129	T	93.3	Very high	91.4	Very high	16 Å²	16	33.9 Å²	33.9	10%	0.098	17%	0.173	C	C	.	.	S	Bend	trans	-65.8	-43	179.1	45	0	0	0	0	112.2	M77 R78 P136 K138	M77-T129 HydrophobicContact CE-CG2 3.51Å; M77-T129 HydrophobicContact SD-CG2 4.38Å; R78-T129 PolarHBondContact N-O 3.42Å; R78-T129 VanDerWaalsContact N-O 3.11Å; T129-P136 WeakPolarHBondContact CB-O 3.1Å; T129-P136 HydrophobicContact CG2-CG 4.01Å; T129-P136 WeakPolarHBondContact CG2-O 3.34Å; T129-P136 PolarHBondContact N-O 3.02Å; T129-P136 WeakPolarHBondContact OG1-CD 3.14Å; T129-P136 WeakPolarHBondContact OG1-CG 3.24Å; T129-P136 PolarHBondContact OG1-O 2.81Å; T129-K138 HydrophobicContact CG2-CD 4.27Å; T129-K138 HydrophobicContact CG2-CG 4.17Å
130	H	92.2	Very high	91.7	Very high	95 Å²	95	30.9 Å²	30.9	44%	0.44	16%	0.162	S	C	.	.			trans	-121.2	151.8	-174.8	-58.5	-65.6	0	0	0	111.7	G79 H85 N133	G79-H130 VanDerWaalsContact CA-O 3.29Å; G79-H130 WeakPolarHBondContact CA-O 3.37Å; H85-H130 PolarHBondContact CE1-O 3.38Å; H130-N133 VanDerWaalsContact O-O 3.09Å
131	P	90.7	Very high	91.6	Very high	69 Å²	69	30.4 Å²	30.4	45%	0.448	16%	0.16	S	C	.	.	S	Bend	trans	-73.5	-25.1	174.9	28.7	-34.2	0	0	0	113.6	H85	H85-P131 PolarHBondContact CE1-O 2.8Å
132	E	91.1	Very high	91.1	Very high	146 Å²	146	30.5 Å²	30.5	68%	0.682	16%	0.161	S	C	*	.	S	Bend	trans	-87	-29	-175.8	-53.8	-54.4	148.5	0	0	113.6
133	N	92.4	Very high	90.2	Very high	93 Å²	93	30 Å²	30	50%	0.497	16%	0.159	S	C	.	.			trans	-121.9	136.2	-174.6	-60.3	-46.7	0	0	0	109.9	H85 H130 T135	H85-N133 PolarHBondContact CE1-O 3.41Å; H130-N133 VanDerWaalsContact O-O 3.09Å; N133-T135 VanDerWaalsContact C-N 3.29Å; N133-T135 WeakPolarHBondContact CB-O 3.03Å; N133-T135 PolarHBondContact O-N 3.23Å
134	V	93.3	Very high	88.9	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.018	17%	0.173	C	C	.	.	S	Bend	trans	-71.6	-28.1	178.2	69	0	0	0	0	111.8	L82 H85 F92 E96 V100 C128 V137	L82-V134 HydrophobicContact CD1-CG2 3.97Å; H85-V134 WeakPolarHBondContact NE2-CA 3.21Å; H85-V134 PolarHBondContact NE2-N 3.45Å; F92-V134 HydrophobicContact CE2-CG1 4.26Å; F92-V134 HydrophobicContact CE2-CG2 4.08Å; E96-V134 HydrophobicContact CB-CG1 4.03Å; E96-V134 HydrophobicContact CG-CG1 4.3Å; V100-V134 HydrophobicContact CG2-CG1 4.17Å; V100-V134 HydrophobicContact CG2-CG2 3.64Å; C128-V134 PolarHBondContact SG-O 2.92Å; C128-V134 VanDerWaalsContact SG-O 3.35Å; V134-V137 WeakPolarHBondContact O-CG1 3.12Å
135	T	93.7	Very high	87.6	Confident	31 Å²	31	30.6 Å²	30.6	19%	0.19	16%	0.164	C	C	.	.			trans	-116.7	154.8	175.2	55.6	0	0	0	0	111.9	L99 V100 N133	L99-T135 HydrophobicContact CB-CG2 3.67Å; V100-T135 HydrophobicContact CG2-CG2 3.81Å; N133-T135 VanDerWaalsContact C-N 3.29Å; N133-T135 WeakPolarHBondContact CB-O 3.03Å; N133-T135 PolarHBondContact O-N 3.23Å
136	P	96	Very high	86	Confident	57 Å²	57	31.6 Å²	31.6	37%	0.37	17%	0.171	S	C	.	.	S	Bend	cis	-70.6	144.8	-2	28.5	-33.2	0	0	0	112.9	D103 T129	D103-P136 VanDerWaalsContact OD2-CA 3.23Å; D103-P136 WeakPolarHBondContact OD2-CA 3.2Å; T129-P136 WeakPolarHBondContact CB-O 3.1Å; T129-P136 HydrophobicContact CG2-CG 4.01Å; T129-P136 WeakPolarHBondContact CG2-O 3.34Å; T129-P136 PolarHBondContact N-O 3.02Å; T129-P136 WeakPolarHBondContact OG1-CD 3.14Å; T129-P136 WeakPolarHBondContact OG1-CG 3.24Å; T129-P136 PolarHBondContact OG1-O 2.81Å
137	V	96.9	Very high	83.8	Confident	1 Å²	1	33 Å²	33	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	152	169.7	-62.7	0	0	0	0	111	N56 V100 D103 V104 I126 L127 V134	N56-V137 WeakPolarHBondContact CA-O 3.16Å; N56-V137 PolarHBondContact ND2-O 2.89Å; V100-V137 HydrophobicContact CG1-CG1 4.28Å; V100-V137 HydrophobicContact CG1-CG2 4.18Å; V100-V137 HydrophobicContact CG2-CG1 4.23Å; D103-V137 HydrophobicContact CB-CG2 3.43Å; D103-V137 VanDerWaalsContact CB-CG2 3.43Å; D103-V137 PolarHBondContact OD2-N 2.66Å; D103-V137 VanDerWaalsContact OD2-N 3.1Å; V104-V137 HydrophobicContact CG2-CG2 3.93Å; I126-V137 HydrophobicContact CG2-CB 3.74Å; I126-V137 HydrophobicContact CG2-CG1 4.06Å; I126-V137 HydrophobicContact CG2-CG2 3.97Å; L127-V137 WeakPolarHBondContact O-CA 3.41Å; V134-V137 WeakPolarHBondContact O-CG1 3.12Å
138	K	96.5	Very high	81.2	Confident	27 Å²	27	36.1 Å²	36.1	12%	0.117	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.9	174.3	-56.6	-170	178.8	-166.1	0	111.4	P55 N56 V58 E75 M77 L127 T129	P55-K138 WeakPolarHBondContact O-CE 3.25Å; P55-K138 WeakPolarHBondContact O-CG 3.46Å; N56-K138 CarbonylContact O-C 3.38Å; N56-K138 WeakPolarHBondContact O-CA 3.48Å; V58-K138 HydrophobicContact CG2-CB 3.67Å; V58-K138 HydrophobicContact CG2-CD 4.49Å; E75-K138 WeakPolarHBondContact OE1-CD 3.42Å; E75-K138 IonicContact OE1-NZ 3.38Å; E75-K138 PolarHBondContact OE1-NZ 3.15Å; E75-K138 IonicContact OE2-NZ 3.17Å; E75-K138 PolarHBondContact OE2-NZ 3.13Å; M77-K138 HydrophobicContact CE-CB 3.67Å; M77-K138 HydrophobicContact CE-CD 3.86Å; M77-K138 HydrophobicContact CE-CG 3.69Å; M77-K138 HydrophobicContact SD-CB 4.45Å; M77-K138 HydrophobicContact SD-CD 3.96Å; M77-K138 HydrophobicContact SD-CG 4.43Å; L127-K138 PolarHBondContact N-O 3.35Å; L127-K138 PolarHBondContact O-N 2.91Å; T129-K138 HydrophobicContact CG2-CD 4.27Å; T129-K138 HydrophobicContact CG2-CG 4.17Å
139	L	94.3	Very high	78.2	Confident	2 Å²	2	42 Å²	42	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.4	172	-167.3	64.4	0	0	0	109.5	N56 V58 A107 L108 L111 H118 N125 I126	N56-L139 PolarHBondContact O-N 2.9Å; V58-L139 PolarHBondContact N-O 3.49Å; A107-L139 HydrophobicContact CB-CB 4.09Å; A107-L139 HydrophobicContact CB-CD2 4.25Å; L108-L139 HydrophobicContact CD2-CD2 3.95Å; L111-L139 HydrophobicContact CD1-CD2 4.07Å; H118-L139 HydrophobicContact CB-CD2 4.48Å; H118-L139 WeakPolarHBondContact CD2-CD2 3.33Å; N125-L139 CarbonylContact O-C 3.46Å; N125-L139 WeakPolarHBondContact O-CA 3.36Å; I126-L139 HydrophobicContact CG1-CD1 4.12Å
140	C	89.9	Confident	75.2	Confident	4 Å²	4	46.9 Å²	46.9	3%	0.027	27%	0.265	C	S	.	.			trans	-128.4	177.8	178	79.8	0	0	0	0	111.2	V58 H118 N125 L127	V58-C140 HydrophobicContact CB-CB 4.11Å; V58-C140 HydrophobicContact CG2-CB 3.61Å; H118-C140 PolarHBondContact NE2-O 3.4Å; N125-C140 PolarHBondContact O-N 2.95Å; N125-C140 PolarHBondContact O-SG 2.89Å; L127-C140 HydrophobicContact CD1-CB 4Å
141	D	82.4	Confident	72.1	Confident	9 Å²	9	53.8 Å²	53.8	5%	0.048	29%	0.288	C	S	.	.			trans	64.2	71.3	175.6	-154.1	5.6	0	0	0	116.4	R18 K32 H118 D143	R18-D141 WeakPolarHBondContact CD-OD2 3.4Å; R18-D141 IonicContact CZ-OD1 3.19Å; R18-D141 IonicContact CZ-OD2 3.71Å; R18-D141 IonicContact NE-OD2 3.79Å; R18-D141 PolarHBondContact NE-OD2 2.98Å; R18-D141 IonicContact NH1-OD1 2.66Å; R18-D141 PolarHBondContact NH1-OD1 3.17Å; R18-D141 IonicContact NH1-OD2 3.8Å; R18-D141 PolarHBondContact NH1-OD2 2.81Å; R18-D141 IonicContact NH2-OD2 3.98Å; K32-D141 IonicContact NZ-OD1 3.56Å; K32-D141 PolarHBondContact NZ-OD1 3.29Å; H118-D141 PolarHBondContact NE2-O 3.2Å; D141-D143 PolarHBondContact O-N 3.24Å; D141-D143 VanDerWaalsContact OD1-CB 3.31Å; D141-D143 WeakPolarHBondContact OD1-CB 3.31Å; D141-D143 VanDerWaalsContact OD1-CG 3.25Å
142	L	79.6	Confident	69.1	Low	2 Å²	2	56 Å²	56	1%	0.01	30%	0.295	C	S	.	.			trans	-85.4	19.4	177.8	-53.6	-179.8	0	0	0	112.9	T47 F48 I57 L111 H118 L144 A145	T47-L142 HydrophobicContact CG2-CB 4.16Å; T47-L142 HydrophobicContact CG2-CD1 3.64Å; T47-L142 HydrophobicContact CG2-CG 4.44Å; F48-L142 HydrophobicContact CD1-CD1 3.75Å; F48-L142 HydrophobicContact CD1-CG 4.46Å; F48-L142 HydrophobicContact CD2-CD1 4.39Å; F48-L142 HydrophobicContact CE1-CD1 3.63Å; F48-L142 HydrophobicContact CE1-CG 3.9Å; F48-L142 HydrophobicContact CE2-CB 4.08Å; F48-L142 HydrophobicContact CE2-CD1 4.29Å; F48-L142 HydrophobicContact CE2-CG 4.16Å; F48-L142 HydrophobicContact CG-CD1 4.12Å; F48-L142 HydrophobicContact CZ-CB 4.13Å; F48-L142 HydrophobicContact CZ-CD1 3.92Å; F48-L142 HydrophobicContact CZ-CG 3.73Å; I57-L142 HydrophobicContact CG2-CD1 4.41Å; L111-L142 HydrophobicContact CD1-CD2 4.25Å; H118-L142 WeakPolarHBondContact CD2-CD2 3.48Å; L142-L144 PolarHBondContact O-N 3.15Å; L142-L144 VanDerWaalsContact O-N 3.12Å; L142-A145 HydrophobicContact CB-CB 3.9Å; L142-A145 WeakPolarHBondContact O-CB 3.34Å; L142-A145 PolarHBondContact O-N 2.87Å
143	D	67.6	Low	66.2	Low	11 Å²	11	54.3 Å²	54.3	6%	0.059	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-32.4	-179.9	-104.6	33.2	0	0	0	115	R18 K32 H34 Y36 R40 E44 D141	R18-D143 IonicContact CZ-OD2 2.66Å; R18-D143 VanDerWaalsContact CZ-OD2 3.23Å; R18-D143 IonicContact NH1-OD1 3.91Å; R18-D143 PolarHBondContact NH1-OD1 3.36Å; R18-D143 IonicContact NH1-OD2 3.79Å; R18-D143 PolarHBondContact NH1-OD2 2.73Å; R18-D143 IonicContact NH2-OD2 3.58Å; R18-D143 PolarHBondContact NH2-OD2 3.23Å; K32-D143 IonicContact NZ-OD1 3.64Å; K32-D143 PolarHBondContact NZ-OD1 3.03Å; H34-D143 IonicContact CD2-OD1 3.74Å; H34-D143 IonicContact CE1-OD1 3.49Å; H34-D143 IonicContact NE2-OD1 3.55Å; H34-D143 PolarHBondContact NE2-OD1 2.83Å; Y36-D143 WeakPolarHBondContact CE2-OD2 3.3Å; R40-D143 PolarHBondContact NE-O 3.46Å; R40-D143 PolarHBondContact NH2-O 2.93Å; R40-D143 IonicContact NH2-OD2 2.71Å; E44-D143 VanDerWaalsContact OE1-OD1 3.08Å; D141-D143 PolarHBondContact O-N 3.24Å; D141-D143 VanDerWaalsContact OD1-CB 3.31Å; D141-D143 WeakPolarHBondContact OD1-CB 3.31Å; D141-D143 VanDerWaalsContact OD1-CG 3.25Å
144	L	59.1	Low	63.1	Low	57 Å²	57	55.6 Å²	55.6	30%	0.298	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	0.3	-176.2	-67.2	172.8	0	0	0	111.7	D120 L142 S146 R317	D120-L144 HydrophobicContact CB-CD1 3.89Å; L142-L144 PolarHBondContact O-N 3.15Å; L142-L144 VanDerWaalsContact O-N 3.12Å; L144-S146 PolarHBondContact O-N 2.95Å; L144-S146 VanDerWaalsContact O-N 3.13Å; L144-R317 VanDerWaalsContact CD1-NH1 3.31Å
145	A	58.6	Low	60.2	Low	3 Å²	3	61.3 Å²	61.3	3%	0.025	34%	0.343	C	S	.	.			trans	-60.2	119.5	172.5	0	0	0	0	0	108.1	T47 I116 A117 L142	T47-A145 HydrophobicContact CG2-CB 4.12Å; I116-A145 HydrophobicContact CG2-CB 3.76Å; A117-A145 WeakPolarHBondContact O-CA 3.21Å; L142-A145 HydrophobicContact CB-CB 3.9Å; L142-A145 WeakPolarHBondContact O-CB 3.34Å; L142-A145 PolarHBondContact O-N 2.87Å
146	S	56.8	Low	57.4	Low	30 Å²	30	64.6 Å²	64.6	21%	0.21	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-112.1	105.3	-177.5	179.7	0	0	0	0	108	R119 L144 T148	R119-S146 VanDerWaalsContact CZ-CB 3.4Å; L144-S146 PolarHBondContact O-N 2.95Å; L144-S146 VanDerWaalsContact O-N 3.13Å; S146-T148 PolarHBondContact O-N 3.36Å
147	T	47.9	Very low	54.3	Low	29 Å²	29	64.8 Å²	64.8	18%	0.178	37%	0.369	C	S	.	.			trans	-65.8	120.9	151.3	1.9	0	0	0	0	106.7	W50 I116 S149	W50-T147 HydrophobicContact CH2-CG2 4.34Å; W50-T147 HydrophobicContact CZ3-CG2 3.8Å; I116-T147 HydrophobicContact CD1-CG2 4.46Å; I116-T147 HydrophobicContact CG1-CG2 4.22Å; T147-S149 PolarHBondContact O-N 2.88Å
148	T	38.8	Very low	51.1	Low	74 Å²	74	70.9 Å²	70.9	45%	0.454	41%	0.41	S	S	.	.			trans	-51.4	140.8	164.4	13	0	0	0	0	108.7	S146 L150 L182	S146-T148 PolarHBondContact O-N 3.36Å; T148-L150 VanDerWaalsContact C-N 3.28Å; T148-L150 PolarHBondContact O-N 3.32Å; T148-L182 HydrophobicContact CG2-CD2 3.88Å; T148-L182 HydrophobicContact CG2-CG 4.35Å; T148-L182 WeakPolarHBondContact OG1-CD2 3.32Å
149	S	30.7	Very low	48.1	Very low	124 Å²	124	78 Å²	78	87%	0.867	44%	0.444	S	S	*	.			trans	-37.7	82.6	-179.8	-67.7	0	0	0	0	114.5	T147 R151	T147-S149 PolarHBondContact O-N 2.88Å; S149-R151 VanDerWaalsContact C-N 3.3Å; S149-R151 PolarHBondContact O-N 3.37Å; S149-R151 VanDerWaalsContact O-N 3.1Å
150	L	31.3	Very low	45.2	Very low	117 Å²	117	84.2 Å²	84.2	61%	0.613	48%	0.476	S	S	*	.			trans	-71.5	99.5	150.5	-69.5	179.2	0	0	0	104.8	T148 L152	T148-L150 VanDerWaalsContact C-N 3.28Å; T148-L150 PolarHBondContact O-N 3.32Å; L150-L152 PolarHBondContact O-N 2.97Å
151	R	27.2	Very low	42.5	Very low	241 Å²	241	91.8 Å²	91.8	91%	0.909	51%	0.509	S	S	*	.			trans	-52.6	92.2	141.2	-67.1	-179	178.9	171.7	0	105.9	S149	S149-R151 VanDerWaalsContact C-N 3.3Å; S149-R151 PolarHBondContact O-N 3.37Å; S149-R151 VanDerWaalsContact O-N 3.1Å
152	L	27.3	Very low	39.8	Very low	115 Å²	115	100.4 Å²	100.4	60%	0.602	55%	0.546	S	S	*	.			trans	-58	134.9	148.9	-78.6	156.4	0	0	0	105	L150	L150-L152 PolarHBondContact O-N 2.97Å
153	P	29.3	Very low	37.5	Very low	111 Å²	111	107.3 Å²	107.3	72%	0.721	59%	0.588	S	S	*	*				-150.3	102.1	68	35.6	-13.7	0	0	0	113.4
154	T	29	Very low	35.7	Very low	120 Å²	120	109.5 Å²	109.5	74%	0.736	61%	0.613	S	S	*	*			trans	-160.9	105.5	144.2	6.9	0	0	0	0	107.3
155	V	30.7	Very low	34.5	Very low	123 Å²	123	109.8 Å²	109.8	75%	0.745	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-31.7	145.8	156.5	-172.4	0	0	0	0	108.8
156	T	35.3	Very low	33.6	Very low	99 Å²	99	113.4 Å²	113.4	61%	0.607	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.4	-5	167.4	22.5	0	0	0	0	122.2
157	A	30.6	Very low	32.6	Very low	61 Å²	61	118.7 Å²	118.7	50%	0.504	67%	0.671	S	S	.	*	G	3₁₀ helix	trans	-81.1	-24.4	-168	0	0	0	0	0	118.5
158	C	30.9	Very low	32.3	Very low	129 Å²	129	125.1 Å²	125.1	87%	0.872	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-93.6	-5.2	-177.1	-93.4	0	0	0	0	115.5	L160	C158-L160 VanDerWaalsContact C-N 3.28Å; C158-L160 PolarHBondContact O-N 3.5Å
159	Q	34	Very low	32.2	Very low	177 Å²	177	126 Å²	126	83%	0.827	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-84.1	1.8	175.7	-84	164.1	-34.6	0	0	113.6
160	L	33.5	Very low	32.7	Very low	132 Å²	132	121.8 Å²	121.8	69%	0.691	67%	0.67	S	S	*	*			trans	-121.6	-7.1	-166.3	-96.6	153.2	0	0	0	116.8	C158 K162	C158-L160 VanDerWaalsContact C-N 3.28Å; C158-L160 PolarHBondContact O-N 3.5Å; L160-K162 PolarHBondContact O-N 2.97Å
161	F	31.7	Very low	33.2	Very low	164 Å²	164	120.6 Å²	120.6	72%	0.719	67%	0.669	S	S	*	*			trans	-85.5	64.6	175.9	-71.1	-75.7	0	0	0	112.1
162	K	27.1	Very low	33.7	Very low	189 Å²	189	115 Å²	115	82%	0.822	65%	0.653	S	S	*	*			trans	-64.5	121.5	146.4	-79.3	178.8	174.6	175.9	0	107.2	L160	L160-K162 PolarHBondContact O-N 2.97Å
163	V	30.2	Very low	34.5	Very low	148 Å²	148	112.2 Å²	112.2	90%	0.897	64%	0.641	S	S	*	*	S	Bend	trans	45.3	103.6	146.5	-166.6	0	0	0	0	116.4
164	G	29.3	Very low	35.1	Very low	56 Å²	56	109 Å²	109	58%	0.577	62%	0.62	S	S	*	*	S	Bend	trans	115.1	37.5	152.4	0	0	0	0	0	119.4
165	S	33.6	Very low	35.7	Very low	63 Å²	63	109 Å²	109	44%	0.441	62%	0.615	S	S	.	*			trans	-144.8	24.6	172.6	-59.5	0	0	0	0	114.9	E167	S165-E167 PolarHBondContact O-N 3.27Å
166	A	40.9	Very low	36.3	Very low	79 Å²	79	106.9 Å²	106.9	65%	0.653	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-69.9	-21.1	179.8	0	0	0	0	0	112.8	F168 M169	A166-F168 PolarHBondContact O-N 2.87Å; A166-M169 PolarHBondContact O-N 2.83Å
167	E	34.6	Very low	36.6	Very low	141 Å²	141	108.8 Å²	108.8	66%	0.659	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-69	-9.9	-179.1	58.5	-101.5	-142	0	0	115.4	S165	S165-E167 PolarHBondContact O-N 3.27Å
168	F	43.4	Very low	37.2	Very low	165 Å²	165	112.6 Å²	112.6	72%	0.724	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-104.7	4.2	-177.9	-57.7	-73.3	0	0	0	114.1	A166 A170	A166-F168 PolarHBondContact O-N 2.87Å; F168-A170 PolarHBondContact O-N 3.46Å
169	M	36	Very low	38	Very low	91 Å²	91	108.6 Å²	108.6	45%	0.448	60%	0.6	S	S	.	*			trans	-79.9	123.6	179.5	-64.7	-175.5	71.8	0	0	110.7	A166 V173 V174	A166-M169 PolarHBondContact O-N 2.83Å; M169-V173 HydrophobicContact CE-CG1 4.01Å; M169-V174 HydrophobicContact CB-CG2 3.57Å; M169-V174 HydrophobicContact CE-CG2 4.29Å
170	A	40.3	Very low	38.7	Very low	37 Å²	37	107.7 Å²	107.7	31%	0.306	60%	0.596	S	S	.	*			trans	-65.1	141.2	173.1	0	0	0	0	0	110.3	F168 E172 V173 V174	F168-A170 PolarHBondContact O-N 3.46Å; A170-E172 VanDerWaalsContact C-N 3.28Å; A170-E172 VanDerWaalsContact CB-OE1 3.3Å; A170-E172 WeakPolarHBondContact CB-OE1 3.38Å; A170-E172 WeakPolarHBondContact CB-OE2 3.33Å; A170-E172 PolarHBondContact O-N 3.34Å; A170-V173 HydrophobicContact CB-CG2 4.06Å; A170-V173 WeakPolarHBondContact O-CA 3.5Å; A170-V173 VanDerWaalsContact O-CB 3.24Å; A170-V173 WeakPolarHBondContact O-CB 3.48Å; A170-V173 PolarHBondContact O-N 3.28Å; A170-V174 PolarHBondContact O-N 3.23Å
171	P	42.5	Very low	39.6	Very low	92 Å²	92	106.9 Å²	106.9	60%	0.597	59%	0.587	S	S	*	*	H	α-helix	trans	-59.9	-34.2	-171.1	19.8	-30.3	0	0	0	113.5	V173 V174 D175	P171-V173 VanDerWaalsContact C-N 3.25Å; P171-V173 PolarHBondContact O-N 3.36Å; P171-V174 CarbonylContact O-C 3.1Å; P171-V174 PolarHBondContact O-N 2.89Å; P171-V174 VanDerWaalsContact O-N 3.15Å; P171-D175 WeakPolarHBondContact O-CB 3.43Å; P171-D175 PolarHBondContact O-N 2.96Å
172	E	38.7	Very low	40.7	Very low	123 Å²	123	101.1 Å²	101.1	58%	0.575	56%	0.563	S	S	*	*	H	α-helix	trans	-67.3	-26.6	173.4	72.1	-77.7	-172.9	0	0	113.1	A170 A176	A170-E172 VanDerWaalsContact C-N 3.28Å; A170-E172 VanDerWaalsContact CB-OE1 3.3Å; A170-E172 WeakPolarHBondContact CB-OE1 3.38Å; A170-E172 WeakPolarHBondContact CB-OE2 3.33Å; A170-E172 PolarHBondContact O-N 3.34Å; E172-A176 WeakPolarHBondContact O-CB 3.48Å; E172-A176 PolarHBondContact O-N 3.42Å
173	V	42.6	Very low	42.1	Very low	56 Å²	56	95 Å²	95	34%	0.339	55%	0.545	S	S	.	.	H	α-helix	trans	-76.1	-38.7	172.6	-177.7	0	0	0	0	108.8	M169 A170 P171 F177	M169-V173 HydrophobicContact CE-CG1 4.01Å; A170-V173 HydrophobicContact CB-CG2 4.06Å; A170-V173 WeakPolarHBondContact O-CA 3.5Å; A170-V173 VanDerWaalsContact O-CB 3.24Å; A170-V173 WeakPolarHBondContact O-CB 3.48Å; A170-V173 PolarHBondContact O-N 3.28Å; P171-V173 VanDerWaalsContact C-N 3.25Å; P171-V173 PolarHBondContact O-N 3.36Å; V173-F177 HydrophobicContact CG1-CD2 3.85Å; V173-F177 HydrophobicContact CG1-CE2 3.91Å; V173-F177 WeakPolarHBondContact O-CB 3.47Å; V173-F177 WeakPolarHBondContact O-CD2 3.43Å; V173-F177 PolarHBondContact O-N 3.14Å
174	V	42.5	Very low	43.3	Very low	45 Å²	45	89.9 Å²	89.9	27%	0.273	51%	0.51	S	S	.	.	H	α-helix	trans	-67.1	-42.9	174	-175.7	0	0	0	0	111.5	M169 A170 P171 F177 M178	M169-V174 HydrophobicContact CB-CG2 3.57Å; M169-V174 HydrophobicContact CE-CG2 4.29Å; A170-V174 PolarHBondContact O-N 3.23Å; P171-V174 CarbonylContact O-C 3.1Å; P171-V174 PolarHBondContact O-N 2.89Å; P171-V174 VanDerWaalsContact O-N 3.15Å; V174-F177 CarbonylContact O-C 3.56Å; V174-F177 PolarHBondContact O-N 2.92Å; V174-M178 HydrophobicContact CG1-CE 4.49Å; V174-M178 HydrophobicContact CG1-SD 4.46Å; V174-M178 VanDerWaalsContact O-CB 3.32Å; V174-M178 WeakPolarHBondContact O-CB 3.45Å; V174-M178 PolarHBondContact O-N 2.95Å
175	D	42.4	Very low	45.1	Very low	118 Å²	118	89.1 Å²	89.1	63%	0.631	49%	0.492	S	S	*	.	H	α-helix	trans	-71.1	-27.3	177.6	-77.5	-14.8	0	0	0	113.2	P171 M178	P171-D175 WeakPolarHBondContact O-CB 3.43Å; P171-D175 PolarHBondContact O-N 2.96Å; D175-M178 CarbonylContact C-O 3.58Å; D175-M178 WeakPolarHBondContact CA-O 3.32Å; D175-M178 CarbonylContact O-C 3.59Å
176	A	42.1	Very low	47.5	Very low	80 Å²	80	88.5 Å²	88.5	66%	0.661	48%	0.481	S	S	*	.	H	α-helix	trans	-78.8	-26.7	172.4	0	0	0	0	0	112.6	E172	E172-A176 WeakPolarHBondContact O-CB 3.48Å; E172-A176 PolarHBondContact O-N 3.42Å
177	F	42	Very low	49.7	Very low	138 Å²	138	85.4 Å²	85.4	61%	0.605	45%	0.453	S	S	*	.	H	α-helix	trans	-89.2	-22.9	175.1	-87.3	-96.9	0	0	0	113.1	V173 V174	V173-F177 HydrophobicContact CG1-CD2 3.85Å; V173-F177 HydrophobicContact CG1-CE2 3.91Å; V173-F177 WeakPolarHBondContact O-CB 3.47Å; V173-F177 WeakPolarHBondContact O-CD2 3.43Å; V173-F177 PolarHBondContact O-N 3.14Å; V174-F177 CarbonylContact O-C 3.56Å; V174-F177 PolarHBondContact O-N 2.92Å
178	M	43.1	Very low	52.1	Low	141 Å²	141	79.2 Å²	79.2	70%	0.695	43%	0.425	S	S	*	.	S	Bend	trans	-130.2	109.1	176.9	-58.9	-161.9	-166.6	0	0	108.7	V174 D175	V174-M178 HydrophobicContact CG1-CE 4.49Å; V174-M178 HydrophobicContact CG1-SD 4.46Å; V174-M178 VanDerWaalsContact O-CB 3.32Å; V174-M178 WeakPolarHBondContact O-CB 3.45Å; V174-M178 PolarHBondContact O-N 2.95Å; D175-M178 CarbonylContact C-O 3.58Å; D175-M178 WeakPolarHBondContact CA-O 3.32Å; D175-M178 CarbonylContact O-C 3.59Å
179	G	47.3	Very low	54.4	Low	45 Å²	45	71.4 Å²	71.4	46%	0.464	39%	0.391	S	S	.	.	S	Bend	trans	-174.2	70.4	179.1	0	0	0	0	0	114.8	K181	G179-K181 PolarHBondContact O-N 2.83Å
180	E	48.6	Very low	57.2	Low	158 Å²	158	67.1 Å²	67.1	74%	0.738	37%	0.37	S	S	*	.	S	Bend	trans	60.7	-48.2	166.6	-60.7	-178.2	168.8	0	0	117.6	L182 S183 Y184	E180-L182 VanDerWaalsContact C-N 3.32Å; E180-L182 PolarHBondContact O-N 3.19Å; E180-S183 PolarHBondContact O-N 2.88Å; E180-S183 PolarHBondContact O-OG 2.95Å; E180-Y184 WeakPolarHBondContact O-CB 3.36Å; E180-Y184 PolarHBondContact O-N 3.35Å
181	K	52.3	Low	59.6	Low	116 Å²	116	65.4 Å²	65.4	50%	0.504	36%	0.356	S	S	.	.	H	α-helix	trans	-59.9	-40.9	-179.4	-72.9	-169.4	172.3	-171.5	0	112.7	G179 Y184 D185	G179-K181 PolarHBondContact O-N 2.83Å; K181-Y184 PolarHBondContact O-N 3.19Å; K181-D185 WeakPolarHBondContact O-CB 3.45Å; K181-D185 VanDerWaalsContact O-CG 3.27Å; K181-D185 PolarHBondContact O-N 3.27Å
182	L	54.4	Low	61.9	Low	42 Å²	42	61.2 Å²	61.2	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-70.4	-40.3	-177.6	-76.5	168.5	0	0	0	113	T148 E180 Y184 K186	T148-L182 HydrophobicContact CG2-CD2 3.88Å; T148-L182 HydrophobicContact CG2-CG 4.35Å; T148-L182 WeakPolarHBondContact OG1-CD2 3.32Å; E180-L182 VanDerWaalsContact C-N 3.32Å; E180-L182 PolarHBondContact O-N 3.19Å; L182-Y184 VanDerWaalsContact C-N 3.32Å; L182-K186 WeakPolarHBondContact O-CD 3.37Å; L182-K186 VanDerWaalsContact O-CG 3.22Å; L182-K186 WeakPolarHBondContact O-CG 3.22Å; L182-K186 PolarHBondContact O-N 3.47Å
183	S	57.5	Low	64.6	Low	62 Å²	62	55.4 Å²	55.4	43%	0.434	30%	0.301	S	S	.	.	H	α-helix	trans	-66	-44.2	173.6	54.3	0	0	0	0	109.2	E180 K186 R187	E180-S183 PolarHBondContact O-N 2.88Å; E180-S183 PolarHBondContact O-OG 2.95Å; S183-K186 WeakPolarHBondContact O-CB 3.4Å; S183-K186 PolarHBondContact O-N 3.38Å; S183-R187 VanDerWaalsContact O-CG 3.29Å; S183-R187 WeakPolarHBondContact O-CG 3.24Å; S183-R187 PolarHBondContact O-N 3.16Å
184	Y	56.5	Low	67.2	Low	40 Å²	40	52.7 Å²	52.7	16%	0.157	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-45	-176.7	-167.3	-89.8	0	0	0	114.2	E180 K181 L182 K186 R187 C188 A266 F320	E180-Y184 WeakPolarHBondContact O-CB 3.36Å; E180-Y184 PolarHBondContact O-N 3.35Å; K181-Y184 PolarHBondContact O-N 3.19Å; L182-Y184 VanDerWaalsContact C-N 3.32Å; Y184-K186 VanDerWaalsContact C-N 3.28Å; Y184-K186 PolarHBondContact O-N 3.35Å; Y184-R187 WeakPolarHBondContact O-CB 3.43Å; Y184-R187 PolarHBondContact O-N 3.08Å; Y184-R187 VanDerWaalsContact O-N 3.09Å; Y184-C188 PolarHBondContact O-N 2.9Å; Y184-A266 HydrophobicContact CD2-CB 3.5Å; Y184-A266 HydrophobicContact CE2-CB 3.5Å; Y184-A266 VanDerWaalsContact CE2-CB 3.5Å; Y184-A266 HydrophobicContact CG-CB 4.39Å; Y184-F320 HydrophobicContact CE1-CB 3.82Å; Y184-F320 HydrophobicContact CE1-CD1 4.33Å; Y184-F320 HydrophobicContact CE1-CG 4.04Å; Y184-F320 AromaticContact CZ-CD1 3.74Å; Y184-F320 AromaticContact CZ-CG 3.93Å; Y184-F320 VanDerWaalsContact OH-CB 3.29Å; Y184-F320 WeakPolarHBondContact OH-CB 3.39Å; Y184-F320 WeakPolarHBondContact OH-CD1 3.32Å; Y184-F320 VanDerWaalsContact OH-CG 3.25Å; Y184-F320 WeakPolarHBondContact OH-CG 3.34Å
185	D	66.5	Low	69.5	Low	39 Å²	39	50.8 Å²	50.8	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-38.2	176.3	-73	-34.9	0	0	0	111.4	A117 R119 K181 R187 C188	A117-D185 HydrophobicContact CB-CB 3.73Å; R119-D185 IonicContact CZ-OD2 2.91Å; R119-D185 IonicContact NE-OD1 2.78Å; R119-D185 IonicContact NE-OD2 2.7Å; R119-D185 VanDerWaalsContact NH2-CG 3.33Å; R119-D185 IonicContact NH2-OD1 3.31Å; R119-D185 IonicContact NH2-OD2 3.23Å; R119-D185 PolarHBondContact NH2-OD2 3.16Å; K181-D185 WeakPolarHBondContact O-CB 3.45Å; K181-D185 VanDerWaalsContact O-CG 3.27Å; K181-D185 PolarHBondContact O-N 3.27Å; D185-R187 VanDerWaalsContact C-N 3.31Å; D185-R187 PolarHBondContact O-N 3.2Å; D185-C188 PolarHBondContact O-N 2.83Å; D185-C188 PolarHBondContact O-SG 3.47Å
186	K	82.7	Confident	71.9	Confident	50 Å²	50	45.3 Å²	45.3	22%	0.217	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-36.7	175.2	-67.1	171.6	-169.5	-172.3	0	111.2	H112 A117 L182 S183 Y184 C188 D189 L190	H112-K186 HydrophobicContact CB-CD 3.95Å; H112-K186 HydrophobicContact CB-CG 4.25Å; H112-K186 PolarHBondContact CE1-O 2.92Å; H112-K186 WeakPolarHBondContact O-CE 3.37Å; H112-K186 PolarHBondContact O-NZ 2.89Å; A117-K186 HydrophobicContact CB-CG 4.34Å; L182-K186 WeakPolarHBondContact O-CD 3.37Å; L182-K186 VanDerWaalsContact O-CG 3.22Å; L182-K186 WeakPolarHBondContact O-CG 3.22Å; L182-K186 PolarHBondContact O-N 3.47Å; S183-K186 WeakPolarHBondContact O-CB 3.4Å; S183-K186 PolarHBondContact O-N 3.38Å; Y184-K186 VanDerWaalsContact C-N 3.28Å; Y184-K186 PolarHBondContact O-N 3.35Å; K186-C188 VanDerWaalsContact C-N 3.28Å; K186-C188 PolarHBondContact O-N 3.01Å; K186-D189 WeakPolarHBondContact O-CB 3.38Å; K186-D189 PolarHBondContact O-N 2.83Å; K186-L190 WeakPolarHBondContact O-CD2 3.39Å
187	R	87.1	Confident	74.5	Confident	14 Å²	14	41.5 Å²	41.5	5%	0.053	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-25.7	176.2	-58	-49.9	-166.1	134.1	24.9	113.6	S183 Y184 D185 D189 L190 W191 A266 E267 R269 Y270 F271	S183-R187 VanDerWaalsContact O-CG 3.29Å; S183-R187 WeakPolarHBondContact O-CG 3.24Å; S183-R187 PolarHBondContact O-N 3.16Å; Y184-R187 WeakPolarHBondContact O-CB 3.43Å; Y184-R187 PolarHBondContact O-N 3.08Å; Y184-R187 VanDerWaalsContact O-N 3.09Å; D185-R187 VanDerWaalsContact C-N 3.31Å; D185-R187 PolarHBondContact O-N 3.2Å; R187-D189 VanDerWaalsContact C-N 3.28Å; R187-D189 PolarHBondContact O-N 3.49Å; R187-L190 PolarHBondContact O-N 3.34Å; R187-W191 PolarHBondContact O-N 3.31Å; R187-A266 HydrophobicContact CB-CB 3.89Å; R187-A266 HydrophobicContact CG-CB 4.11Å; R187-A266 WeakPolarHBondContact CG-O 3.35Å; R187-E267 PolarHBondContact NH2-O 2.74Å; R187-R269 VanDerWaalsContact C-NH1 3.33Å; R187-R269 VanDerWaalsContact CZ-O 3.23Å; R187-R269 PolarHBondContact NH1-O 3.32Å; R187-R269 PolarHBondContact NH2-O 3Å; R187-R269 WeakPolarHBondContact O-CD 3.37Å; R187-R269 PolarHBondContact O-NH1 3.24Å; R187-Y270 PolarHBondContact NH1-O 2.91Å; R187-F271 VanDerWaalsContact CZ-CZ 3.44Å; R187-F271 VanDerWaalsContact NH1-CA 3.25Å; R187-F271 VanDerWaalsContact NH1-CD1 3.32Å; R187-F271 VanDerWaalsContact NH1-CD2 3.34Å; R187-F271 VanDerWaalsContact NH2-CE1 3.29Å
188	C	86.4	Confident	77	Confident	12 Å²	12	35.1 Å²	35.1	8%	0.081	18%	0.184	C	C	.	.	H	α-helix	trans	-66.2	-35.2	179	85.2	0	0	0	0	111.2	Y184 D185 K186 L190 W191 S192	Y184-C188 PolarHBondContact O-N 2.9Å; D185-C188 PolarHBondContact O-N 2.83Å; D185-C188 PolarHBondContact O-SG 3.47Å; K186-C188 VanDerWaalsContact C-N 3.28Å; K186-C188 PolarHBondContact O-N 3.01Å; C188-L190 VanDerWaalsContact C-N 3.27Å; C188-L190 PolarHBondContact O-N 3.38Å; C188-W191 WeakPolarHBondContact O-CB 3.37Å; C188-W191 PolarHBondContact O-N 2.83Å; C188-S192 PolarHBondContact O-N 3.35Å; C188-S192 VanDerWaalsContact O-N 3.08Å
189	D	90.8	Very high	79.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.2	-37.4	173.2	-64.3	-26.8	0	0	0	111.8	L108 H112 H118 R119 V121 K186 R187 S192 L193	L108-D189 HydrophobicContact CD1-CB 4.01Å; L108-D189 HydrophobicContact CD2-CB 3.85Å; H112-D189 IonicContact CD2-OD2 3.21Å; H112-D189 IonicContact CE1-OD2 3.24Å; H112-D189 IonicContact NE2-OD2 2.77Å; H112-D189 PolarHBondContact NE2-OD2 3.34Å; H118-D189 PolarHBondContact N-OD2 2.78Å; R119-D189 WeakPolarHBondContact CA-OD1 3.49Å; R119-D189 PolarHBondContact N-OD1 2.89Å; V121-D189 HydrophobicContact CG2-CB 3.92Å; K186-D189 WeakPolarHBondContact O-CB 3.38Å; K186-D189 PolarHBondContact O-N 2.83Å; R187-D189 VanDerWaalsContact C-N 3.28Å; R187-D189 PolarHBondContact O-N 3.49Å; D189-S192 WeakPolarHBondContact O-CB 3.49Å; D189-S192 PolarHBondContact O-N 3.33Å; D189-L193 WeakPolarHBondContact O-CB 3.18Å; D189-L193 PolarHBondContact O-N 3.46Å
190	L	94.3	Very high	81.6	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-71.3	-34	178.9	-74.6	-44.8	0	0	0	112.3	K186 R187 C188 L193 G194 L261 R269 V272 V275	K186-L190 WeakPolarHBondContact O-CD2 3.39Å; R187-L190 PolarHBondContact O-N 3.34Å; C188-L190 VanDerWaalsContact C-N 3.27Å; C188-L190 PolarHBondContact O-N 3.38Å; L190-L193 HydrophobicContact CD1-CD2 4.09Å; L190-L193 PolarHBondContact O-N 2.85Å; L190-G194 PolarHBondContact O-N 2.96Å; L190-L261 HydrophobicContact CB-CD2 3.96Å; L190-L261 HydrophobicContact CD1-CD2 4.26Å; L190-L261 HydrophobicContact CG-CD2 4.45Å; L190-L261 WeakPolarHBondContact O-CD2 3.32Å; L190-R269 HydrophobicContact CB-CG 4.45Å; L190-V272 HydrophobicContact CD1-CB 4.21Å; L190-V272 HydrophobicContact CD1-CG2 4.46Å; L190-V275 HydrophobicContact CD1-CG2 3.97Å
191	W	91.4	Very high	83.8	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-64.5	-46.8	172.3	175	-79.9	0	0	0	111	R187 C188 L193 G194 V195 F207 I235 L262 V263 F312 N316	R187-W191 PolarHBondContact O-N 3.31Å; C188-W191 WeakPolarHBondContact O-CB 3.37Å; C188-W191 PolarHBondContact O-N 2.83Å; W191-L193 VanDerWaalsContact C-N 3.3Å; W191-L193 PolarHBondContact O-N 3.38Å; W191-G194 PolarHBondContact O-N 2.96Å; W191-G194 VanDerWaalsContact O-N 3.1Å; W191-V195 PolarHBondContact O-N 3.32Å; W191-V195 VanDerWaalsContact O-N 3.09Å; W191-F207 HydrophobicContact CH2-CE2 4.42Å; W191-F207 HydrophobicContact CH2-CZ 4.03Å; W191-F207 AromaticContact CZ2-CE2 3.94Å; W191-F207 HydrophobicContact CZ2-CE2 3.94Å; W191-F207 AromaticContact CZ2-CZ 3.97Å; W191-F207 HydrophobicContact CZ2-CZ 3.97Å; W191-I235 HydrophobicContact CZ2-CG2 4.17Å; W191-L262 HydrophobicContact CD2-CD2 4.17Å; W191-L262 HydrophobicContact CE3-CD2 4.35Å; W191-L262 VanDerWaalsContact CZ3-C 3.43Å; W191-L262 HydrophobicContact CZ3-CB 4.4Å; W191-V263 WeakPolarHBondContact CZ3-O 3.2Å; W191-F312 AromaticContact CD1-CE1 3.5Å; W191-F312 VanDerWaalsContact CD1-CE1 3.5Å; W191-F312 AromaticContact CD1-CZ 3.95Å; W191-F312 AromaticContact CE2-CE1 3.99Å; W191-F312 AromaticContact CE2-CZ 3.59Å; W191-F312 AromaticContact CZ2-CZ 3.74Å; W191-F312 HydrophobicContact CZ2-CZ 3.74Å; W191-F312 AromaticContact NE1-CE1 2.92Å; W191-F312 AromaticContact NE1-CZ 2.95Å; W191-N316 PolarHBondContact NE1-ND2 2.92Å; W191-N316 PolarHBondContact NE1-OD1 3.47Å
192	S	91.5	Very high	85.7	Confident	4 Å²	4	13.5 Å²	13.5	3%	0.028	7%	0.072	C	C	.	.	H	α-helix	trans	-57.8	-42.5	173.7	-72.3	0	0	0	0	112.2	V121 C188 D189 G194 V195 I196	V121-S192 WeakPolarHBondContact O-CB 3.38Å; V121-S192 PolarHBondContact O-OG 2.9Å; C188-S192 PolarHBondContact O-N 3.35Å; C188-S192 VanDerWaalsContact O-N 3.08Å; D189-S192 WeakPolarHBondContact O-CB 3.49Å; D189-S192 PolarHBondContact O-N 3.33Å; S192-G194 VanDerWaalsContact C-N 3.3Å; S192-G194 PolarHBondContact O-N 2.91Å; S192-V195 PolarHBondContact O-N 3.17Å; S192-I196 VanDerWaalsContact O-CG1 3.3Å; S192-I196 WeakPolarHBondContact O-CG1 3.33Å; S192-I196 PolarHBondContact O-N 2.94Å
193	L	95.4	Very high	87.4	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.1	-40.4	174.7	-173.9	64.2	0	0	0	112	I101 V104 A105 L108 D189 L190 W191 I196 L197 V275	I101-L193 HydrophobicContact CD1-CD1 3.59Å; I101-L193 HydrophobicContact CD1-CG 4.13Å; I101-L193 HydrophobicContact CG2-CD2 4.41Å; V104-L193 HydrophobicContact CB-CD1 3.91Å; V104-L193 HydrophobicContact CG1-CD1 3.62Å; A105-L193 HydrophobicContact CB-CD2 4.35Å; L108-L193 HydrophobicContact CD1-CD2 4.4Å; D189-L193 WeakPolarHBondContact O-CB 3.18Å; D189-L193 PolarHBondContact O-N 3.46Å; L190-L193 HydrophobicContact CD1-CD2 4.09Å; L190-L193 PolarHBondContact O-N 2.85Å; W191-L193 VanDerWaalsContact C-N 3.3Å; W191-L193 PolarHBondContact O-N 3.38Å; L193-I196 PolarHBondContact O-N 3.21Å; L193-L197 WeakPolarHBondContact O-CB 3.38Å; L193-L197 PolarHBondContact O-N 3.47Å; L193-V275 HydrophobicContact CD2-CG1 4.14Å
194	G	95.9	Very high	88.8	Confident	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.5	-39.1	175.6	0	0	0	0	0	113.4	L190 W191 S192 L197 Y198	L190-G194 PolarHBondContact O-N 2.96Å; W191-G194 PolarHBondContact O-N 2.96Å; W191-G194 VanDerWaalsContact O-N 3.1Å; S192-G194 VanDerWaalsContact C-N 3.3Å; S192-G194 PolarHBondContact O-N 2.91Å; G194-L197 PolarHBondContact O-N 3.45Å; G194-Y198 WeakPolarHBondContact O-CB 3.49Å; G194-Y198 PolarHBondContact O-N 3.5Å
195	V	91.9	Very high	90.2	Very high	4 Å²	4	9.3 Å²	9.3	2%	0.024	5%	0.045	C	C	.	.	H	α-helix	trans	-67.4	-42.6	175.2	168	0	0	0	0	111.7	W191 S192 L197 Y198 M199 P206 L262 F312	W191-V195 PolarHBondContact O-N 3.32Å; W191-V195 VanDerWaalsContact O-N 3.09Å; S192-V195 PolarHBondContact O-N 3.17Å; V195-L197 VanDerWaalsContact C-N 3.33Å; V195-L197 PolarHBondContact O-N 3.06Å; V195-Y198 PolarHBondContact O-N 2.98Å; V195-M199 HydrophobicContact CG1-CG 4.45Å; V195-M199 HydrophobicContact CG1-SD 3.87Å; V195-M199 VanDerWaalsContact O-CG 3.28Å; V195-M199 WeakPolarHBondContact O-CG 3.49Å; V195-M199 PolarHBondContact O-N 3.45Å; V195-P206 HydrophobicContact CB-CG 4.39Å; V195-P206 HydrophobicContact CG1-CG 4.35Å; V195-P206 HydrophobicContact CG2-CG 3.84Å; V195-L262 HydrophobicContact CG2-CD2 3.71Å; V195-F312 HydrophobicContact CB-CD1 4.47Å; V195-F312 HydrophobicContact CB-CE1 4.06Å; V195-F312 HydrophobicContact CG1-CD1 4.27Å; V195-F312 HydrophobicContact CG1-CE1 4.29Å; V195-F312 HydrophobicContact CG2-CD1 3.95Å; V195-F312 HydrophobicContact CG2-CE1 3.15Å; V195-F312 HydrophobicContact CG2-CE2 4.26Å; V195-F312 HydrophobicContact CG2-CZ 3.34Å
196	I	93.1	Very high	91.2	Very high	4 Å²	4	7.8 Å²	7.8	2%	0.021	4%	0.037	C	C	.	.	H	α-helix	trans	-62.5	-43.1	176.5	-64.6	168.6	0	0	0	110.3	L82 V121 P123 I126 S192 L193 M199 M200	L82-I196 HydrophobicContact CD2-CG2 3.9Å; V121-I196 HydrophobicContact CG1-CD1 3.75Å; P123-I196 HydrophobicContact CG-CG1 4.08Å; I126-I196 HydrophobicContact CD1-CD1 3.65Å; I126-I196 HydrophobicContact CD1-CG2 4.07Å; S192-I196 VanDerWaalsContact O-CG1 3.3Å; S192-I196 WeakPolarHBondContact O-CG1 3.33Å; S192-I196 PolarHBondContact O-N 2.94Å; L193-I196 PolarHBondContact O-N 3.21Å; I196-M199 PolarHBondContact O-N 3.44Å; I196-M200 HydrophobicContact CG2-CE 4.31Å; I196-M200 HydrophobicContact CG2-CG 4.46Å; I196-M200 WeakPolarHBondContact O-CB 3.14Å; I196-M200 WeakPolarHBondContact O-CG 3.24Å; I196-M200 PolarHBondContact O-N 3.44Å
197	L	96.5	Very high	91.3	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-58.9	-49.2	174.4	178.8	50.5	0	0	0	111.4	I101 L193 G194 V195 M199 M200 L201 L257 I258 L261 W280	I101-L197 HydrophobicContact CD1-CB 3.8Å; I101-L197 HydrophobicContact CD1-CD1 4.22Å; I101-L197 HydrophobicContact CD1-CG 4.42Å; I101-L197 HydrophobicContact CG1-CB 4.3Å; I101-L197 HydrophobicContact CG1-CD1 3.81Å; I101-L197 HydrophobicContact CG1-CD2 4.39Å; I101-L197 HydrophobicContact CG1-CG 4.37Å; L193-L197 WeakPolarHBondContact O-CB 3.38Å; L193-L197 PolarHBondContact O-N 3.47Å; G194-L197 PolarHBondContact O-N 3.45Å; V195-L197 VanDerWaalsContact C-N 3.33Å; V195-L197 PolarHBondContact O-N 3.06Å; L197-M199 VanDerWaalsContact C-N 3.31Å; L197-M199 PolarHBondContact O-N 2.89Å; L197-M200 HydrophobicContact CD1-CE 4.27Å; L197-M200 PolarHBondContact O-N 2.9Å; L197-L201 HydrophobicContact CD1-CD1 3.76Å; L197-L201 HydrophobicContact CD1-CD2 4.42Å; L197-L201 HydrophobicContact CD1-CG 3.87Å; L197-L201 HydrophobicContact CG-CD1 4.11Å; L197-L201 WeakPolarHBondContact O-CG 3.2Å; L197-L201 PolarHBondContact O-N 2.79Å; L197-L201 VanDerWaalsContact O-N 3.09Å; L197-L257 HydrophobicContact CD2-CB 4.33Å; L197-L257 HydrophobicContact CD2-CD2 3.68Å; L197-L257 HydrophobicContact CD2-CG 3.87Å; L197-I258 HydrophobicContact CB-CG1 4.4Å; L197-I258 HydrophobicContact CD2-CD1 4.44Å; L197-I258 HydrophobicContact CD2-CG1 3.73Å; L197-I258 HydrophobicContact CG-CD1 4.08Å; L197-I258 HydrophobicContact CG-CG1 3.82Å; L197-L261 HydrophobicContact CD2-CD1 4.35Å; L197-W280 HydrophobicContact CD1-CH2 3.45Å; L197-W280 VanDerWaalsContact CD1-CH2 3.45Å; L197-W280 HydrophobicContact CD1-CZ2 4.33Å; L197-W280 HydrophobicContact CD1-CZ3 3.7Å; L197-W280 HydrophobicContact CD2-CZ3 4.25Å
198	Y	94.6	Very high	90.9	Very high	3 Å²	3	9.5 Å²	9.5	1%	0.012	4%	0.043	C	C	.	.	H	α-helix	trans	-55.8	-47.4	177.7	-172.1	-75.2	0	0	0	111.4	G194 V195 M200 L201 C202 Y204 P206 Y240 Q241 F242 W247 I258	G194-Y198 WeakPolarHBondContact O-CB 3.49Å; G194-Y198 PolarHBondContact O-N 3.5Å; V195-Y198 PolarHBondContact O-N 2.98Å; Y198-M200 PolarHBondContact O-N 3.31Å; Y198-L201 PolarHBondContact O-N 2.98Å; Y198-C202 VanDerWaalsContact CD1-SG 3.58Å; Y198-C202 WeakPolarHBondContact CE1-SG 3.42Å; Y198-C202 PolarHBondContact O-N 2.86Å; Y198-C202 PolarHBondContact O-SG 3.22Å; Y198-Y204 VanDerWaalsContact CD1-O 3.25Å; Y198-Y204 WeakPolarHBondContact CD1-O 3.35Å; Y198-Y204 AromaticContact CE1-CD2 3.85Å; Y198-Y204 HydrophobicContact CE1-CD2 3.85Å; Y198-Y204 AromaticContact CE1-CE2 3.74Å; Y198-Y204 HydrophobicContact CE1-CE2 3.74Å; Y198-Y204 WeakPolarHBondContact CE1-O 3.48Å; Y198-Y204 WeakPolarHBondContact OH-CE2 3.39Å; Y198-P206 HydrophobicContact CD1-CB 3.78Å; Y198-P206 HydrophobicContact CD1-CG 3.94Å; Y198-P206 HydrophobicContact CD2-CB 3.72Å; Y198-P206 HydrophobicContact CD2-CG 4.23Å; Y198-P206 HydrophobicContact CE1-CB 3.91Å; Y198-P206 HydrophobicContact CE2-CB 3.84Å; Y198-P206 HydrophobicContact CG-CB 3.7Å; Y198-P206 HydrophobicContact CG-CG 3.78Å; Y198-Y240 HydrophobicContact CD2-CD2 4.44Å; Y198-Y240 HydrophobicContact CE2-CD2 4.04Å; Y198-Q241 PolarHBondContact OH-O 3.19Å; Y198-F242 HydrophobicContact CD2-CD1 4.4Å; Y198-F242 AromaticContact CD2-CE1 3.97Å; Y198-F242 HydrophobicContact CD2-CE1 3.97Å; Y198-F242 AromaticContact CE2-CD1 3.8Å; Y198-F242 HydrophobicContact CE2-CD1 3.8Å; Y198-F242 AromaticContact CE2-CE1 3.81Å; Y198-F242 HydrophobicContact CE2-CE1 3.81Å; Y198-W247 AromaticContact CD1-CZ2 3.97Å; Y198-W247 HydrophobicContact CD1-CZ2 3.97Å; Y198-W247 AromaticContact CD2-CH2 3.77Å; Y198-W247 HydrophobicContact CD2-CH2 3.77Å; Y198-W247 AromaticContact CD2-CZ2 3.52Å; Y198-W247 HydrophobicContact CD2-CZ2 3.52Å; Y198-W247 AromaticContact CE1-CZ2 3.85Å; Y198-W247 HydrophobicContact CE1-CZ2 3.85Å; Y198-W247 AromaticContact CE2-CE2 3.96Å; Y198-W247 HydrophobicContact CE2-CH2 4.02Å; Y198-W247 AromaticContact CE2-CZ2 3.38Å; Y198-W247 HydrophobicContact CE2-CZ2 3.38Å; Y198-W247 HydrophobicContact CG-CH2 4.12Å; Y198-W247 AromaticContact CG-CZ2 3.81Å; Y198-W247 HydrophobicContact CG-CZ2 3.81Å; Y198-W247 AromaticContact CZ-CE2 3.93Å; Y198-W247 AromaticContact CZ-CZ2 3.55Å; Y198-W247 AromaticContact CZ-NE1 3.9Å; Y198-I258 HydrophobicContact CD2-CD1 4.21Å; Y198-I258 HydrophobicContact CD2-CG2 4.23Å
199	M	92.3	Very high	90.3	Very high	1 Å²	1	9 Å²	9	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-64.3	-39	178.5	-68.7	171.3	75.7	0	0	112.8	L83 V195 I196 L197 L201 G203 P205 L305 A309	L83-M199 HydrophobicContact CD1-CE 3.68Å; V195-M199 HydrophobicContact CG1-CG 4.45Å; V195-M199 HydrophobicContact CG1-SD 3.87Å; V195-M199 VanDerWaalsContact O-CG 3.28Å; V195-M199 WeakPolarHBondContact O-CG 3.49Å; V195-M199 PolarHBondContact O-N 3.45Å; I196-M199 PolarHBondContact O-N 3.44Å; L197-M199 VanDerWaalsContact C-N 3.31Å; L197-M199 PolarHBondContact O-N 2.89Å; M199-L201 VanDerWaalsContact C-N 3.25Å; M199-L201 PolarHBondContact O-N 3.38Å; M199-G203 WeakPolarHBondContact O-CA 3.35Å; M199-G203 PolarHBondContact O-N 3.37Å; M199-P205 HydrophobicContact CG-CB 4.32Å; M199-P205 HydrophobicContact SD-CB 4.42Å; M199-L305 HydrophobicContact CE-CB 3.67Å; M199-L305 HydrophobicContact CE-CD2 4.13Å; M199-L305 HydrophobicContact CE-CG 4.38Å; M199-L305 WeakPolarHBondContact CE-O 3.29Å; M199-A309 HydrophobicContact CE-CB 4.38Å; M199-A309 HydrophobicContact SD-CB 4.23Å
200	M	94.5	Very high	89.9	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.9	-32.6	176.6	-78.4	-165	-60.6	0	0	112.5	L82 I86 F92 A97 V100 I101 I196 L197 Y198 T292	L82-M200 HydrophobicContact CD1-SD 4.3Å; L82-M200 HydrophobicContact CD2-CG 4.31Å; L82-M200 HydrophobicContact CD2-SD 3.79Å; L82-M200 HydrophobicContact CG-SD 4.39Å; I86-M200 HydrophobicContact CD1-CG 3.85Å; I86-M200 HydrophobicContact CD1-SD 4.23Å; F92-M200 HydrophobicContact CE1-CB 4.1Å; F92-M200 HydrophobicContact CZ-SD 4.19Å; A97-M200 HydrophobicContact CB-CB 4.44Å; A97-M200 HydrophobicContact CB-CE 4.34Å; V100-M200 HydrophobicContact CB-CE 4.3Å; V100-M200 HydrophobicContact CB-SD 4.06Å; V100-M200 HydrophobicContact CG1-CE 4.07Å; V100-M200 HydrophobicContact CG1-SD 3.74Å; I101-M200 HydrophobicContact CD1-CE 3.42Å; I101-M200 VanDerWaalsContact CD1-CE 3.42Å; I101-M200 HydrophobicContact CG1-CE 3.69Å; I196-M200 HydrophobicContact CG2-CE 4.31Å; I196-M200 HydrophobicContact CG2-CG 4.46Å; I196-M200 WeakPolarHBondContact O-CB 3.14Å; I196-M200 WeakPolarHBondContact O-CG 3.24Å; I196-M200 PolarHBondContact O-N 3.44Å; L197-M200 HydrophobicContact CD1-CE 4.27Å; L197-M200 PolarHBondContact O-N 2.9Å; Y198-M200 PolarHBondContact O-N 3.31Å; M200-T292 WeakPolarHBondContact O-CB 3.35Å; M200-T292 WeakPolarHBondContact O-CG2 3.29Å; M200-T292 PolarHBondContact O-OG1 3.09Å
201	L	95.3	Very high	89.5	Confident	2 Å²	2	14.7 Å²	14.7	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-82.4	-31.3	-175.4	-71.7	-177.7	0	0	0	113.9	E94 A97 L197 Y198 M199 W247 I250 A254 I258 W280 L290 T292	E94-L201 HydrophobicContact CG-CD2 4.03Å; A97-L201 HydrophobicContact CB-CD2 4.17Å; L197-L201 HydrophobicContact CD1-CD1 3.76Å; L197-L201 HydrophobicContact CD1-CD2 4.42Å; L197-L201 HydrophobicContact CD1-CG 3.87Å; L197-L201 HydrophobicContact CG-CD1 4.11Å; L197-L201 WeakPolarHBondContact O-CG 3.2Å; L197-L201 PolarHBondContact O-N 2.79Å; L197-L201 VanDerWaalsContact O-N 3.09Å; Y198-L201 PolarHBondContact O-N 2.98Å; M199-L201 VanDerWaalsContact C-N 3.25Å; M199-L201 PolarHBondContact O-N 3.38Å; L201-W247 HydrophobicContact CB-CH2 3.79Å; L201-W247 HydrophobicContact CB-CZ2 4.43Å; L201-W247 HydrophobicContact CB-CZ3 4.15Å; L201-W247 HydrophobicContact CD1-CH2 3.97Å; L201-W247 HydrophobicContact CD1-CZ3 3.86Å; L201-I250 HydrophobicContact CB-CD1 4.07Å; L201-I250 HydrophobicContact CD1-CG2 4.14Å; L201-I250 WeakPolarHBondContact O-CD1 3.33Å; L201-A254 HydrophobicContact CD1-CB 3.75Å; L201-I258 HydrophobicContact CD1-CD1 3.84Å; L201-W280 HydrophobicContact CD2-CZ2 4.13Å; L201-L290 HydrophobicContact CD2-CD1 3.86Å; L201-L290 HydrophobicContact CD2-CD2 4.04Å; L201-L290 WeakPolarHBondContact O-CD2 3.47Å; L201-T292 PolarHBondContact O-OG1 3.38Å
202	C	91.8	Very high	89.3	Confident	3 Å²	3	20.1 Å²	20.1	2%	0.02	11%	0.109	C	C	.	.	H	α-helix	trans	-126.9	-15.8	-177	67.7	0	0	0	0	115.6	Y198 Y204 D246 W247	Y198-C202 VanDerWaalsContact CD1-SG 3.58Å; Y198-C202 WeakPolarHBondContact CE1-SG 3.42Å; Y198-C202 PolarHBondContact O-N 2.86Å; Y198-C202 PolarHBondContact O-SG 3.22Å; C202-Y204 HydrophobicContact CB-CD1 4.15Å; C202-Y204 HydrophobicContact CB-CE1 3.68Å; C202-Y204 PolarHBondContact SG-O 3.15Å; C202-D246 HydrophobicContact CB-CB 4.4Å; C202-W247 HydrophobicContact CB-CZ2 3.85Å
203	G	89.5	Confident	89	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	88.4	7.3	179	0	0	0	0	0	116.4	M199 V295 L305	M199-G203 WeakPolarHBondContact O-CA 3.35Å; M199-G203 PolarHBondContact O-N 3.37Å; G203-V295 WeakPolarHBondContact O-CG1 3.47Å; G203-L305 WeakPolarHBondContact O-CD1 3.33Å
204	Y	86.5	Confident	88.2	Confident	45 Å²	45	31.7 Å²	31.7	18%	0.176	17%	0.167	C	C	.	.	S	Bend	trans	-139.9	159.1	175.4	54	-95.2	0	0	0	111.6	Y198 C202 D246 W247	Y198-Y204 VanDerWaalsContact CD1-O 3.25Å; Y198-Y204 WeakPolarHBondContact CD1-O 3.35Å; Y198-Y204 AromaticContact CE1-CD2 3.85Å; Y198-Y204 HydrophobicContact CE1-CD2 3.85Å; Y198-Y204 AromaticContact CE1-CE2 3.74Å; Y198-Y204 HydrophobicContact CE1-CE2 3.74Å; Y198-Y204 WeakPolarHBondContact CE1-O 3.48Å; Y198-Y204 WeakPolarHBondContact OH-CE2 3.39Å; C202-Y204 HydrophobicContact CB-CD1 4.15Å; C202-Y204 HydrophobicContact CB-CE1 3.68Å; C202-Y204 PolarHBondContact SG-O 3.15Å; Y204-D246 HydrophobicContact CE1-CB 4.41Å; Y204-D246 WeakPolarHBondContact CE1-OD2 3.36Å; Y204-D246 PolarHBondContact OH-OD2 3.27Å; Y204-W247 PolarHBondContact OH-NE1 3.01Å
205	P	86.2	Confident	87.3	Confident	12 Å²	12	39.2 Å²	39.2	8%	0.078	21%	0.207	C	C	.	.			trans	-75.8	151.2	-178.8	32	-35.3	0	0	0	111.5	M199 F207 L305 L308	M199-P205 HydrophobicContact CG-CB 4.32Å; M199-P205 HydrophobicContact SD-CB 4.42Å; P205-F207 PolarHBondContact O-N 2.66Å; P205-L305 HydrophobicContact CG-CD2 4.5Å; P205-L308 HydrophobicContact CG-CD1 4.32Å
206	P	87.5	Confident	86.9	Confident	7 Å²	7	40.3 Å²	40.3	5%	0.045	22%	0.215	C	C	.	.	S	Bend	trans	-67.4	-19.2	178.7	17.4	-20.7	0	0	0	113.7	V195 Y198 Y240 L262	V195-P206 HydrophobicContact CB-CG 4.39Å; V195-P206 HydrophobicContact CG1-CG 4.35Å; V195-P206 HydrophobicContact CG2-CG 3.84Å; Y198-P206 HydrophobicContact CD1-CB 3.78Å; Y198-P206 HydrophobicContact CD1-CG 3.94Å; Y198-P206 HydrophobicContact CD2-CB 3.72Å; Y198-P206 HydrophobicContact CD2-CG 4.23Å; Y198-P206 HydrophobicContact CE1-CB 3.91Å; Y198-P206 HydrophobicContact CE2-CB 3.84Å; Y198-P206 HydrophobicContact CG-CB 3.7Å; Y198-P206 HydrophobicContact CG-CG 3.78Å; P206-Y240 HydrophobicContact CB-CG 4.38Å; P206-L262 HydrophobicContact CB-CD1 4.12Å; P206-L262 HydrophobicContact CG-CD1 3.94Å
207	F	84.8	Confident	86.3	Confident	3 Å²	3	40.4 Å²	40.4	1%	0.013	22%	0.216	C	C	.	.	S	Bend	trans	-133.7	135.4	-178.3	-46.8	-90.3	0	0	0	108.9	W191 P205 L231 R234 I235 K239 Y240 L262 F312	W191-F207 HydrophobicContact CH2-CE2 4.42Å; W191-F207 HydrophobicContact CH2-CZ 4.03Å; W191-F207 AromaticContact CZ2-CE2 3.94Å; W191-F207 HydrophobicContact CZ2-CE2 3.94Å; W191-F207 AromaticContact CZ2-CZ 3.97Å; W191-F207 HydrophobicContact CZ2-CZ 3.97Å; P205-F207 PolarHBondContact O-N 2.66Å; F207-L231 HydrophobicContact CB-CD1 3.88Å; F207-R234 HydrophobicContact CB-CB 4.44Å; F207-R234 HydrophobicContact CD1-CB 4.08Å; F207-I235 HydrophobicContact CB-CG1 4.36Å; F207-I235 HydrophobicContact CG-CG1 4.39Å; F207-K239 WeakPolarHBondContact CE1-O 3.47Å; F207-Y240 HydrophobicContact CE1-CD1 4.32Å; F207-Y240 AromaticContact CZ-CD1 3.94Å; F207-Y240 HydrophobicContact CZ-CD1 3.94Å; F207-Y240 HydrophobicContact CZ-CG 4.38Å; F207-L262 HydrophobicContact CE2-CD1 4.25Å; F207-F312 HydrophobicContact CB-CD2 4.27Å; F207-F312 HydrophobicContact CB-CE2 3.91Å; F207-F312 HydrophobicContact CD2-CD2 4.12Å; F207-F312 AromaticContact CD2-CE2 3.1Å; F207-F312 HydrophobicContact CD2-CE2 3.1Å; F207-F312 AromaticContact CD2-CZ 3.57Å; F207-F312 HydrophobicContact CD2-CZ 3.57Å; F207-F312 AromaticContact CE2-CE2 3.71Å; F207-F312 HydrophobicContact CE2-CE2 3.71Å; F207-F312 AromaticContact CE2-CZ 3.69Å; F207-F312 HydrophobicContact CE2-CZ 3.69Å; F207-F312 AromaticContact CG-CE2 3.74Å; F207-F312 HydrophobicContact CG-CE2 3.74Å
208	Y	78.3	Confident	85.2	Confident	96 Å²	96	41.3 Å²	41.3	38%	0.376	22%	0.22	S	C	.	.			trans	-143.6	148.2	-175.6	53.3	-78.2	0	0	0	110.3	E210 R234	Y208-E210 HydrophobicContact CD2-CG 3.96Å; Y208-E210 HydrophobicContact CE2-CG 3.98Å; Y208-E210 WeakPolarHBondContact CE2-OE1 3.47Å; Y208-R234 VanDerWaalsContact CZ-NH1 3.26Å; Y208-R234 WeakPolarHBondContact O-CD 3.33Å; Y208-R234 PolarHBondContact O-NH1 3.09Å
209	G	74.7	Confident	83.9	Confident	3 Å²	3	46.4 Å²	46.4	3%	0.031	24%	0.244	C	C	.	.			trans	-82.8	132.2	176.8	0	0	0	0	0	111.5	C227	G209-C227 WeakPolarHBondContact CA-O 3.47Å
210	E	82.2	Confident	82.8	Confident	86 Å²	86	54.2 Å²	54.2	40%	0.402	28%	0.278	S	S	.	.			trans	-123.6	147.3	173.8	-76.1	173.3	-136.4	0	0	110.1	Y208 T230 R234	Y208-E210 HydrophobicContact CD2-CG 3.96Å; Y208-E210 HydrophobicContact CE2-CG 3.98Å; Y208-E210 WeakPolarHBondContact CE2-OE1 3.47Å; E210-T230 PolarHBondContact N-OG1 3.08Å; E210-T230 VanDerWaalsContact O-CG2 3.27Å; E210-T230 WeakPolarHBondContact O-CG2 3.29Å; E210-T230 PolarHBondContact O-OG1 3.39Å; E210-R234 VanDerWaalsContact CD-NH2 3.27Å; E210-R234 IonicContact OE1-CZ 3.2Å; E210-R234 IonicContact OE1-NH1 3.07Å; E210-R234 PolarHBondContact OE1-NH1 2.83Å; E210-R234 IonicContact OE1-NH2 3.32Å; E210-R234 PolarHBondContact OE1-NH2 2.86Å; E210-R234 IonicContact OE2-NH2 3.67Å
211	C	86.1	Confident	81.4	Confident	33 Å²	33	56.6 Å²	56.6	22%	0.223	30%	0.302	C	S	.	.			trans	-142.9	163.1	173.2	71.2	0	0	0	0	109.5	R213 C216 E226	C211-R213 PolarHBondContact O-N 3.38Å; C211-R213 PolarHBondContact SG-O 2.97Å; C211-C216 VanDerWaalsContact SG-CB 3.52Å; C211-C216 PolarHBondContact SG-SG 3.27Å; C211-E226 HydrophobicContact CB-CB 3.49Å; C211-E226 VanDerWaalsContact CB-CB 3.49Å; C211-E226 HydrophobicContact CB-CG 4.41Å; C211-E226 WeakPolarHBondContact CB-OE2 3.24Å
212	S	86.6	Confident	80.3	Confident	117 Å²	117	61.1 Å²	61.1	82%	0.818	33%	0.326	S	S	*	.	S	Bend	trans	-72.5	-13.3	-179.6	-55.8	0	0	0	0	113.1	P214	S212-P214 WeakPolarHBondContact O-CD 3.39Å
213	R	84.7	Confident	79.4	Confident	129 Å²	129	66.4 Å²	66.4	49%	0.487	36%	0.36	S	S	.	.	S	Bend	trans	-83.6	114.1	-178.1	-71	-178.7	-85.7	164.1	-6.5	110.6	C211 N215 C216 E226	C211-R213 PolarHBondContact O-N 3.38Å; C211-R213 PolarHBondContact SG-O 2.97Å; R213-N215 PolarHBondContact O-N 3.33Å; R213-C216 HydrophobicContact CB-CB 4.15Å; R213-E226 IonicContact CZ-OE1 2.81Å; R213-E226 IonicContact NE-OE1 2.83Å; R213-E226 PolarHBondContact NE-OE1 3.35Å; R213-E226 IonicContact NH2-OE1 3.79Å; R213-E226 PolarHBondContact NH2-OE1 3.08Å
214	P	79.1	Confident	78.9	Confident	118 Å²	118	66.6 Å²	66.6	77%	0.766	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	138.3	170.8	27.4	-33	0	0	0	109.1	S212 C216	S212-P214 WeakPolarHBondContact O-CD 3.39Å; P214-C216 VanDerWaalsContact C-N 3.32Å; P214-C216 PolarHBondContact O-N 2.96Å
215	N	77.7	Confident	78.6	Confident	158 Å²	158	70.1 Å²	70.1	85%	0.845	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	36.7	178	-56.7	-34.6	0	0	0	115	R213 G217	R213-N215 PolarHBondContact O-N 3.33Å; N215-G217 PolarHBondContact O-N 2.88Å
216	C	84	Confident	78.6	Confident	26 Å²	26	73 Å²	73	18%	0.176	40%	0.396	C	S	.	.			trans	-56.3	-15.2	174.6	68.2	0	0	0	0	114	C211 R213 P214 W218 C224 C227	C211-C216 VanDerWaalsContact SG-CB 3.52Å; C211-C216 PolarHBondContact SG-SG 3.27Å; R213-C216 HydrophobicContact CB-CB 4.15Å; P214-C216 VanDerWaalsContact C-N 3.32Å; P214-C216 PolarHBondContact O-N 2.96Å; C216-W218 WeakPolarHBondContact SG-CB 2.83Å; C216-W218 PolarHBondContact SG-N 2.67Å; C216-W218 VanDerWaalsContact SG-N 3.44Å; C216-C224 HydrophobicContact CB-CB 4.4Å; C216-C227 VanDerWaalsContact SG-SG 3.7Å
217	G	78.9	Confident	78.2	Confident	6 Å²	6	72.7 Å²	72.7	6%	0.062	39%	0.394	C	S	.	.	S	Bend	trans	89.7	-0.8	177.8	0	0	0	0	0	113.9	N215 Q219 K220 G221 L222	N215-G217 PolarHBondContact O-N 2.88Å; G217-Q219 VanDerWaalsContact C-N 3.28Å; G217-Q219 PolarHBondContact O-N 2.93Å; G217-K220 CarbonylContact O-C 3.54Å; G217-K220 WeakPolarHBondContact O-CA 3.25Å; G217-K220 WeakPolarHBondContact O-CB 3.29Å; G217-K220 PolarHBondContact O-N 3.42Å; G217-G221 PolarHBondContact O-N 2.76Å; G217-L222 WeakPolarHBondContact O-CB 3.42Å; G217-L222 PolarHBondContact O-N 3.25Å
218	W	74.4	Confident	77.7	Confident	20 Å²	20	77 Å²	77	8%	0.076	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-52.3	-46.2	177.7	-178.2	-96.2	0	0	0	112.2	C216 K220 G221 L222 C224 C227 Q228 L231	C216-W218 WeakPolarHBondContact SG-CB 2.83Å; C216-W218 PolarHBondContact SG-N 2.67Å; C216-W218 VanDerWaalsContact SG-N 3.44Å; W218-K220 PolarHBondContact O-N 3.04Å; W218-K220 VanDerWaalsContact O-N 3.16Å; W218-G221 PolarHBondContact O-N 3.5Å; W218-L222 WeakPolarHBondContact CA-O 3.4Å; W218-C224 HydrophobicContact CB-CB 4.3Å; W218-C224 HydrophobicContact CE3-CB 3.74Å; W218-C224 HydrophobicContact CZ3-CB 4.49Å; W218-C224 WeakPolarHBondContact CZ3-O 3.09Å; W218-C227 HydrophobicContact CB-CB 4Å; W218-C227 HydrophobicContact CD2-CB 3.29Å; W218-C227 HydrophobicContact CE3-CB 3.54Å; W218-C227 HydrophobicContact CG-CB 3.5Å; W218-C227 HydrophobicContact CZ2-CB 4.37Å; W218-C227 HydrophobicContact CZ3-CB 4.15Å; W218-Q228 HydrophobicContact CH2-CB 3.61Å; W218-Q228 HydrophobicContact CH2-CG 4.14Å; W218-Q228 HydrophobicContact CZ3-CB 3.81Å; W218-L231 HydrophobicContact CZ2-CD2 3.97Å
219	Q	68	Low	77.6	Confident	109 Å²	109	76 Å²	76	51%	0.509	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-64	-20.5	177.4	-62.8	82.6	-0.7	0	0	113.1	G217	G217-Q219 VanDerWaalsContact C-N 3.28Å; G217-Q219 PolarHBondContact O-N 2.93Å
220	K	68.9	Low	78	Confident	166 Å²	166	78.2 Å²	78.2	72%	0.722	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-96.1	10.8	176.8	-56.9	-178.6	179.8	-179.8	0	112.6	G217 W218	G217-K220 CarbonylContact O-C 3.54Å; G217-K220 WeakPolarHBondContact O-CA 3.25Å; G217-K220 WeakPolarHBondContact O-CB 3.29Å; G217-K220 PolarHBondContact O-N 3.42Å; W218-K220 PolarHBondContact O-N 3.04Å; W218-K220 VanDerWaalsContact O-N 3.16Å
221	G	64.8	Low	77.8	Confident	49 Å²	49	74.4 Å²	74.4	51%	0.505	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	14.1	-177.1	0	0	0	0	0	115.1	G217 W218	G217-G221 PolarHBondContact O-N 2.76Å; W218-G221 PolarHBondContact O-N 3.5Å
222	L	71.6	Confident	77.3	Confident	98 Å²	98	74.9 Å²	74.9	51%	0.513	42%	0.415	S	S	.	.			trans	-82.3	142.2	172.8	-60	-178.2	0	0	0	110.7	G217 W218	G217-L222 WeakPolarHBondContact O-CB 3.42Å; G217-L222 PolarHBondContact O-N 3.25Å; W218-L222 WeakPolarHBondContact CA-O 3.4Å
223	P	72.8	Confident	76.8	Confident	114 Å²	114	72.6 Å²	72.6	74%	0.74	40%	0.399	S	S	*	.			trans	-64.6	137.9	179.8	27.5	-34.7	0	0	0	111.2
224	C	78.8	Confident	76.6	Confident	4 Å²	4	69.7 Å²	69.7	3%	0.027	39%	0.388	C	S	.	.			trans	-147.8	108	172.6	178.3	0	0	0	0	109.6	C216 W218 E226 C227 Q228	C216-C224 HydrophobicContact CB-CB 4.4Å; W218-C224 HydrophobicContact CB-CB 4.3Å; W218-C224 HydrophobicContact CE3-CB 3.74Å; W218-C224 HydrophobicContact CZ3-CB 4.49Å; W218-C224 WeakPolarHBondContact CZ3-O 3.09Å; C224-E226 VanDerWaalsContact C-N 3.26Å; C224-E226 PolarHBondContact O-N 3.48Å; C224-C227 HydrophobicContact CB-CB 3.94Å; C224-C227 PolarHBondContact O-N 3.36Å; C224-C227 VanDerWaalsContact O-N 3.13Å; C224-Q228 PolarHBondContact O-N 3.23Å
225	D	80.9	Confident	76.5	Confident	119 Å²	119	64.3 Å²	64.3	64%	0.636	35%	0.352	S	S	*	.	H	α-helix	trans	-58.1	-36.9	-175.8	-59.1	-22.8	0	0	0	113	S229	D225-S229 VanDerWaalsContact O-CB 3.25Å; D225-S229 WeakPolarHBondContact O-CB 3.42Å; D225-S229 PolarHBondContact O-N 3.4Å; D225-S229 PolarHBondContact O-OG 3.09Å
226	E	85.8	Confident	76.4	Confident	72 Å²	72	60.2 Å²	60.2	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-66	-47.3	176.6	-74.2	169.6	-114.3	0	0	111.5	C211 R213 C224 Q228 S229 T230	C211-E226 HydrophobicContact CB-CB 3.49Å; C211-E226 VanDerWaalsContact CB-CB 3.49Å; C211-E226 HydrophobicContact CB-CG 4.41Å; C211-E226 WeakPolarHBondContact CB-OE2 3.24Å; R213-E226 IonicContact CZ-OE1 2.81Å; R213-E226 IonicContact NE-OE1 2.83Å; R213-E226 PolarHBondContact NE-OE1 3.35Å; R213-E226 IonicContact NH2-OE1 3.79Å; R213-E226 PolarHBondContact NH2-OE1 3.08Å; C224-E226 VanDerWaalsContact C-N 3.26Å; C224-E226 PolarHBondContact O-N 3.48Å; E226-Q228 VanDerWaalsContact C-N 3.34Å; E226-Q228 PolarHBondContact O-N 3.25Å; E226-S229 PolarHBondContact O-N 3.35Å; E226-T230 WeakPolarHBondContact O-CG2 3.28Å; E226-T230 PolarHBondContact O-N 3.2Å; E226-T230 PolarHBondContact O-OG1 3.23Å; E226-T230 VanDerWaalsContact O-OG1 3.07Å
227	C	78.5	Confident	76.4	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-41.1	177.1	-75	0	0	0	0	111.4	G209 C216 W218 C224 T230 L231	G209-C227 WeakPolarHBondContact CA-O 3.47Å; C216-C227 VanDerWaalsContact SG-SG 3.7Å; W218-C227 HydrophobicContact CB-CB 4Å; W218-C227 HydrophobicContact CD2-CB 3.29Å; W218-C227 HydrophobicContact CE3-CB 3.54Å; W218-C227 HydrophobicContact CG-CB 3.5Å; W218-C227 HydrophobicContact CZ2-CB 4.37Å; W218-C227 HydrophobicContact CZ3-CB 4.15Å; C224-C227 HydrophobicContact CB-CB 3.94Å; C224-C227 PolarHBondContact O-N 3.36Å; C224-C227 VanDerWaalsContact O-N 3.13Å; C227-T230 WeakPolarHBondContact CA-OG1 2.83Å; C227-T230 PolarHBondContact O-N 3.05Å; C227-T230 PolarHBondContact O-OG1 3.44Å; C227-T230 VanDerWaalsContact O-OG1 3.04Å; C227-L231 VanDerWaalsContact O-CB 3.24Å; C227-L231 WeakPolarHBondContact O-CB 3.41Å; C227-L231 PolarHBondContact O-N 3.45Å
228	Q	74.7	Confident	76.5	Confident	93 Å²	93	61.7 Å²	61.7	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-43.4	176.3	-171.8	174.6	-16.5	0	0	111.5	W218 C224 E226 L231 F232	W218-Q228 HydrophobicContact CH2-CB 3.61Å; W218-Q228 HydrophobicContact CH2-CG 4.14Å; W218-Q228 HydrophobicContact CZ3-CB 3.81Å; C224-Q228 PolarHBondContact O-N 3.23Å; E226-Q228 VanDerWaalsContact C-N 3.34Å; E226-Q228 PolarHBondContact O-N 3.25Å; Q228-L231 PolarHBondContact O-N 3.19Å; Q228-F232 WeakPolarHBondContact O-CB 3.35Å; Q228-F232 PolarHBondContact O-N 3.02Å
229	S	76.5	Confident	76.9	Confident	76 Å²	76	68.7 Å²	68.7	53%	0.531	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-42.3	178.9	-61.4	0	0	0	0	112.2	D225 E226 F232 S233	D225-S229 VanDerWaalsContact O-CB 3.25Å; D225-S229 WeakPolarHBondContact O-CB 3.42Å; D225-S229 PolarHBondContact O-N 3.4Å; D225-S229 PolarHBondContact O-OG 3.09Å; E226-S229 PolarHBondContact O-N 3.35Å; S229-F232 PolarHBondContact O-N 3.27Å; S229-S233 WeakPolarHBondContact O-CB 3.3Å; S229-S233 PolarHBondContact O-N 3.45Å
230	T	82.1	Confident	78	Confident	49 Å²	49	65.7 Å²	65.7	30%	0.301	36%	0.356	S	S	.	.	H	α-helix	trans	-69.4	-38.8	176.9	54.4	0	0	0	0	112	E210 E226 C227 S233 R234	E210-T230 PolarHBondContact N-OG1 3.08Å; E210-T230 VanDerWaalsContact O-CG2 3.27Å; E210-T230 WeakPolarHBondContact O-CG2 3.29Å; E210-T230 PolarHBondContact O-OG1 3.39Å; E226-T230 WeakPolarHBondContact O-CG2 3.28Å; E226-T230 PolarHBondContact O-N 3.2Å; E226-T230 PolarHBondContact O-OG1 3.23Å; E226-T230 VanDerWaalsContact O-OG1 3.07Å; C227-T230 WeakPolarHBondContact CA-OG1 2.83Å; C227-T230 PolarHBondContact O-N 3.05Å; C227-T230 PolarHBondContact O-OG1 3.44Å; C227-T230 VanDerWaalsContact O-OG1 3.04Å; T230-S233 PolarHBondContact O-N 2.94Å; T230-R234 WeakPolarHBondContact O-CB 2.77Å; T230-R234 WeakPolarHBondContact O-CG 3.35Å; T230-R234 PolarHBondContact O-N 3.2Å
231	L	79.4	Confident	79.1	Confident	5 Å²	5	64 Å²	64	3%	0.026	35%	0.351	C	S	.	.	H	α-helix	trans	-57.2	-50.8	171.1	175.1	61.3	0	0	0	110.7	F207 W218 C227 Q228 S233 R234 I235 D311 F312	F207-L231 HydrophobicContact CB-CD1 3.88Å; W218-L231 HydrophobicContact CZ2-CD2 3.97Å; C227-L231 VanDerWaalsContact O-CB 3.24Å; C227-L231 WeakPolarHBondContact O-CB 3.41Å; C227-L231 PolarHBondContact O-N 3.45Å; Q228-L231 PolarHBondContact O-N 3.19Å; L231-S233 VanDerWaalsContact C-N 3.35Å; L231-S233 PolarHBondContact O-N 3.41Å; L231-R234 PolarHBondContact O-N 3.39Å; L231-I235 HydrophobicContact CD1-CD1 4.08Å; L231-I235 HydrophobicContact CD1-CG1 4.41Å; L231-I235 HydrophobicContact CG-CD1 3.97Å; L231-I235 VanDerWaalsContact O-CG1 3.29Å; L231-I235 WeakPolarHBondContact O-CG1 3.22Å; L231-I235 PolarHBondContact O-N 3.34Å; L231-D311 HydrophobicContact CD2-CB 4.42Å; L231-F312 HydrophobicContact CD1-CD2 4.37Å
232	F	74.2	Confident	80.5	Confident	43 Å²	43	63.8 Å²	63.8	19%	0.189	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-43.5	179.1	-170.9	-102	0	0	0	112.2	Q228 S229 R234 I235 Q236 A315 I318 A319 E322	Q228-F232 WeakPolarHBondContact O-CB 3.35Å; Q228-F232 PolarHBondContact O-N 3.02Å; S229-F232 PolarHBondContact O-N 3.27Å; F232-R234 VanDerWaalsContact C-N 3.35Å; F232-R234 PolarHBondContact O-N 3.1Å; F232-I235 WeakPolarHBondContact O-CB 3.12Å; F232-I235 PolarHBondContact O-N 3.47Å; F232-Q236 HydrophobicContact CD1-CG 4.14Å; F232-Q236 HydrophobicContact CE1-CG 3.99Å; F232-Q236 HydrophobicContact CZ-CG 4.34Å; F232-Q236 VanDerWaalsContact CZ-NE2 3.32Å; F232-Q236 WeakPolarHBondContact O-CB 3.32Å; F232-Q236 WeakPolarHBondContact O-CG 3.05Å; F232-Q236 PolarHBondContact O-N 2.81Å; F232-A315 HydrophobicContact CD2-CB 4.02Å; F232-A315 WeakPolarHBondContact CE2-O 3.46Å; F232-I318 HydrophobicContact CE2-CB 4.1Å; F232-I318 HydrophobicContact CE2-CG2 3.92Å; F232-I318 HydrophobicContact CZ-CG2 4.14Å; F232-A319 HydrophobicContact CD2-CB 4.37Å; F232-A319 HydrophobicContact CE2-CB 3.55Å; F232-A319 HydrophobicContact CZ-CB 3.71Å; F232-E322 WeakPolarHBondContact CZ-OE2 3.43Å
233	S	76.3	Confident	81.5	Confident	69 Å²	69	62.2 Å²	62.2	48%	0.483	33%	0.326	S	S	.	.	H	α-helix	trans	-60.2	-43	175.6	-174.8	0	0	0	0	112.1	S229 T230 L231 Q236 S237	S229-S233 WeakPolarHBondContact O-CB 3.3Å; S229-S233 PolarHBondContact O-N 3.45Å; T230-S233 PolarHBondContact O-N 2.94Å; L231-S233 VanDerWaalsContact C-N 3.35Å; L231-S233 PolarHBondContact O-N 3.41Å; S233-Q236 PolarHBondContact O-N 3.39Å; S233-S237 WeakPolarHBondContact O-CB 3.13Å; S233-S237 PolarHBondContact O-N 2.88Å; S233-S237 PolarHBondContact O-OG 3.4Å
234	R	81	Confident	82.4	Confident	68 Å²	68	64.8 Å²	64.8	26%	0.257	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-44.5	176.8	-75.9	176.8	172.8	-177.7	-6.5	111.7	F207 Y208 E210 T230 L231 F232 S237 G238	F207-R234 HydrophobicContact CB-CB 4.44Å; F207-R234 HydrophobicContact CD1-CB 4.08Å; Y208-R234 VanDerWaalsContact CZ-NH1 3.26Å; Y208-R234 WeakPolarHBondContact O-CD 3.33Å; Y208-R234 PolarHBondContact O-NH1 3.09Å; E210-R234 VanDerWaalsContact CD-NH2 3.27Å; E210-R234 IonicContact OE1-CZ 3.2Å; E210-R234 IonicContact OE1-NH1 3.07Å; E210-R234 PolarHBondContact OE1-NH1 2.83Å; E210-R234 IonicContact OE1-NH2 3.32Å; E210-R234 PolarHBondContact OE1-NH2 2.86Å; E210-R234 IonicContact OE2-NH2 3.67Å; T230-R234 WeakPolarHBondContact O-CB 2.77Å; T230-R234 WeakPolarHBondContact O-CG 3.35Å; T230-R234 PolarHBondContact O-N 3.2Å; L231-R234 PolarHBondContact O-N 3.39Å; F232-R234 VanDerWaalsContact C-N 3.35Å; F232-R234 PolarHBondContact O-N 3.1Å; R234-S237 PolarHBondContact O-N 2.75Å; R234-S237 PolarHBondContact O-OG 3.28Å; R234-G238 PolarHBondContact O-N 3.5Å
235	I	77.9	Confident	83	Confident	5 Å²	5	72.3 Å²	72.3	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-56.9	-52.4	173.7	-68.1	168	0	0	0	110.9	W191 F207 L231 F232 S237 G238 F312 A315	W191-I235 HydrophobicContact CZ2-CG2 4.17Å; F207-I235 HydrophobicContact CB-CG1 4.36Å; F207-I235 HydrophobicContact CG-CG1 4.39Å; L231-I235 HydrophobicContact CD1-CD1 4.08Å; L231-I235 HydrophobicContact CD1-CG1 4.41Å; L231-I235 HydrophobicContact CG-CD1 3.97Å; L231-I235 VanDerWaalsContact O-CG1 3.29Å; L231-I235 WeakPolarHBondContact O-CG1 3.22Å; L231-I235 PolarHBondContact O-N 3.34Å; F232-I235 WeakPolarHBondContact O-CB 3.12Å; F232-I235 PolarHBondContact O-N 3.47Å; I235-S237 VanDerWaalsContact C-N 3.26Å; I235-S237 PolarHBondContact O-N 3.05Å; I235-G238 PolarHBondContact O-N 3.49Å; I235-F312 HydrophobicContact CD1-CD2 3.41Å; I235-F312 VanDerWaalsContact CD1-CD2 3.41Å; I235-F312 HydrophobicContact CD1-CE2 3.59Å; I235-F312 HydrophobicContact CD1-CG 4.21Å; I235-F312 HydrophobicContact CG1-CD2 3.7Å; I235-F312 HydrophobicContact CG1-CE2 3.33Å; I235-F312 HydrophobicContact CG1-CZ 4.22Å; I235-A315 HydrophobicContact CD1-CB 3.56Å
236	Q	75.5	Confident	83.4	Confident	72 Å²	72	68.7 Å²	68.7	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-33.4	-179.2	-75.2	-170.9	-29	0	0	112.6	F232 S233 G238 R264 A319	F232-Q236 HydrophobicContact CD1-CG 4.14Å; F232-Q236 HydrophobicContact CE1-CG 3.99Å; F232-Q236 HydrophobicContact CZ-CG 4.34Å; F232-Q236 VanDerWaalsContact CZ-NE2 3.32Å; F232-Q236 WeakPolarHBondContact O-CB 3.32Å; F232-Q236 WeakPolarHBondContact O-CG 3.05Å; F232-Q236 PolarHBondContact O-N 2.81Å; S233-Q236 PolarHBondContact O-N 3.39Å; Q236-G238 VanDerWaalsContact C-N 3.29Å; Q236-R264 WeakPolarHBondContact O-CD 3.46Å; Q236-R264 VanDerWaalsContact O-CZ 3.3Å; Q236-R264 PolarHBondContact O-NE 3.19Å; Q236-A319 HydrophobicContact CG-CB 3.89Å
237	S	82.5	Confident	83.8	Confident	47 Å²	47	65.3 Å²	65.3	33%	0.329	33%	0.328	S	S	.	.	H	α-helix	trans	-72.3	-24.1	175.5	79.6	0	0	0	0	112.9	S233 R234 I235 K239	S233-S237 WeakPolarHBondContact O-CB 3.13Å; S233-S237 PolarHBondContact O-N 2.88Å; S233-S237 PolarHBondContact O-OG 3.4Å; R234-S237 PolarHBondContact O-N 2.75Å; R234-S237 PolarHBondContact O-OG 3.28Å; I235-S237 VanDerWaalsContact C-N 3.26Å; I235-S237 PolarHBondContact O-N 3.05Å; S237-K239 PolarHBondContact O-N 3.31Å; S237-K239 WeakPolarHBondContact OG-CB 3.48Å; S237-K239 PolarHBondContact OG-N 3.43Å
238	G	80.8	Confident	84.6	Confident	17 Å²	17	69.2 Å²	69.2	18%	0.175	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	14.6	-173.4	0	0	0	0	0	113.9	R234 I235 Q236	R234-G238 PolarHBondContact O-N 3.5Å; I235-G238 PolarHBondContact O-N 3.49Å; Q236-G238 VanDerWaalsContact C-N 3.29Å
239	K	84.2	Confident	85.5	Confident	167 Å²	167	70.7 Å²	70.7	73%	0.726	37%	0.365	S	S	*	.			trans	-90.4	115.2	-177.9	-63.8	-177.8	-179.9	-178.6	0	110.5	F207 S237	F207-K239 WeakPolarHBondContact CE1-O 3.47Å; S237-K239 PolarHBondContact O-N 3.31Å; S237-K239 WeakPolarHBondContact OG-CB 3.48Å; S237-K239 PolarHBondContact OG-N 3.43Å
240	Y	90	Very high	86.4	Confident	46 Å²	46	67.4 Å²	67.4	18%	0.18	34%	0.342	C	S	.	.			trans	-131.7	166.8	169.5	64.1	-85.1	0	0	0	108.5	Y198 P206 F207 F242 I258 R259 L262	Y198-Y240 HydrophobicContact CD2-CD2 4.44Å; Y198-Y240 HydrophobicContact CE2-CD2 4.04Å; P206-Y240 HydrophobicContact CB-CG 4.38Å; F207-Y240 HydrophobicContact CE1-CD1 4.32Å; F207-Y240 AromaticContact CZ-CD1 3.94Å; F207-Y240 HydrophobicContact CZ-CD1 3.94Å; F207-Y240 HydrophobicContact CZ-CG 4.38Å; Y240-F242 HydrophobicContact CD2-CE1 4.35Å; Y240-F242 HydrophobicContact CD2-CZ 4.45Å; Y240-F242 AromaticContact CE2-CE1 3.85Å; Y240-F242 HydrophobicContact CE2-CE1 3.85Å; Y240-F242 AromaticContact CE2-CE2 3.96Å; Y240-F242 HydrophobicContact CE2-CE2 3.96Å; Y240-F242 AromaticContact CE2-CZ 3.56Å; Y240-F242 HydrophobicContact CE2-CZ 3.56Å; Y240-I258 HydrophobicContact CE2-CG2 3.89Å; Y240-R259 WeakPolarHBondContact OH-CA 3.21Å; Y240-R259 WeakPolarHBondContact OH-CG 3.43Å; Y240-L262 HydrophobicContact CD1-CB 4.21Å; Y240-L262 HydrophobicContact CD1-CD1 4.12Å; Y240-L262 HydrophobicContact CD2-CD1 4.49Å; Y240-L262 HydrophobicContact CE1-CB 3.65Å; Y240-L262 HydrophobicContact CE1-CD1 4.1Å; Y240-L262 HydrophobicContact CE2-CD1 4.46Å; Y240-L262 HydrophobicContact CG-CD1 4.33Å
241	Q	92.6	Very high	87.1	Confident	130 Å²	130	65.8 Å²	65.8	61%	0.607	33%	0.332	S	S	*	.			trans	-130.5	154.3	-177.8	-64.4	-179.2	6.3	0	0	110.9	Y198 H243	Y198-Q241 PolarHBondContact OH-O 3.19Å; Q241-H243 PolarHBondContact OE1-CE1 2.88Å
242	F	94.9	Very high	88	Confident	44 Å²	44	70.3 Å²	70.3	19%	0.193	35%	0.353	C	S	.	.			trans	-105.7	89.3	169.1	-62.4	-54.3	0	0	0	107.5	Y198 Y240 E244 W247 K255 I258 R259	Y198-F242 HydrophobicContact CD2-CD1 4.4Å; Y198-F242 AromaticContact CD2-CE1 3.97Å; Y198-F242 HydrophobicContact CD2-CE1 3.97Å; Y198-F242 AromaticContact CE2-CD1 3.8Å; Y198-F242 HydrophobicContact CE2-CD1 3.8Å; Y198-F242 AromaticContact CE2-CE1 3.81Å; Y198-F242 HydrophobicContact CE2-CE1 3.81Å; Y240-F242 HydrophobicContact CD2-CE1 4.35Å; Y240-F242 HydrophobicContact CD2-CZ 4.45Å; Y240-F242 AromaticContact CE2-CE1 3.85Å; Y240-F242 HydrophobicContact CE2-CE1 3.85Å; Y240-F242 AromaticContact CE2-CE2 3.96Å; Y240-F242 HydrophobicContact CE2-CE2 3.96Å; Y240-F242 AromaticContact CE2-CZ 3.56Å; Y240-F242 HydrophobicContact CE2-CZ 3.56Å; F242-E244 PolarHBondContact O-N 3.39Å; F242-W247 HydrophobicContact CB-CB 3.81Å; F242-W247 HydrophobicContact CB-CD2 3.97Å; F242-W247 HydrophobicContact CB-CE3 4.38Å; F242-W247 HydrophobicContact CB-CG 3.7Å; F242-W247 AromaticContact CD1-CD2 3.44Å; F242-W247 HydrophobicContact CD1-CD2 3.44Å; F242-W247 VanDerWaalsContact CD1-CD2 3.44Å; F242-W247 AromaticContact CD1-CE2 3.65Å; F242-W247 AromaticContact CD1-CE3 3.42Å; F242-W247 HydrophobicContact CD1-CE3 3.42Å; F242-W247 VanDerWaalsContact CD1-CE3 3.42Å; F242-W247 HydrophobicContact CD1-CG 4.1Å; F242-W247 AromaticContact CD1-CH2 3.86Å; F242-W247 HydrophobicContact CD1-CH2 3.86Å; F242-W247 AromaticContact CD1-CZ2 3.87Å; F242-W247 HydrophobicContact CD1-CZ2 3.87Å; F242-W247 AromaticContact CD1-CZ3 3.64Å; F242-W247 HydrophobicContact CD1-CZ3 3.64Å; F242-W247 HydrophobicContact CE1-CD2 4.26Å; F242-W247 AromaticContact CE1-CE3 3.86Å; F242-W247 HydrophobicContact CE1-CE3 3.86Å; F242-W247 AromaticContact CE1-CH2 3.74Å; F242-W247 HydrophobicContact CE1-CH2 3.74Å; F242-W247 HydrophobicContact CE1-CZ2 4.13Å; F242-W247 AromaticContact CE1-CZ3 3.59Å; F242-W247 HydrophobicContact CE1-CZ3 3.59Å; F242-W247 HydrophobicContact CG-CD2 4.08Å; F242-W247 HydrophobicContact CG-CE3 4.11Å; F242-W247 HydrophobicContact CG-CG 4.34Å; F242-K255 HydrophobicContact CD1-CG 4.41Å; F242-K255 HydrophobicContact CD2-CB 4.26Å; F242-K255 HydrophobicContact CD2-CD 4.07Å; F242-K255 HydrophobicContact CD2-CG 4.13Å; F242-K255 HydrophobicContact CE1-CG 4.27Å; F242-K255 HydrophobicContact CE2-CB 3.7Å; F242-K255 HydrophobicContact CE2-CD 4.36Å; F242-K255 HydrophobicContact CE2-CG 4Å; F242-K255 HydrophobicContact CG-CD 4.31Å; F242-K255 HydrophobicContact CG-CG 4.32Å; F242-K255 HydrophobicContact CZ-CB 3.81Å; F242-K255 HydrophobicContact CZ-CG 4.04Å; F242-I258 HydrophobicContact CE1-CB 4.36Å; F242-I258 HydrophobicContact CE1-CD1 4.05Å; F242-I258 HydrophobicContact CE1-CG2 3.97Å; F242-I258 HydrophobicContact CZ-CB 4.02Å; F242-I258 HydrophobicContact CZ-CD1 4.46Å; F242-I258 HydrophobicContact CZ-CG2 3.79Å; F242-R259 HydrophobicContact CE2-CG 4.21Å
243	H	92.5	Very high	89.1	Confident	66 Å²	66	73 Å²	73	31%	0.306	37%	0.367	S	S	.	.			trans	-61.1	126.2	-177.2	-64.7	-72.3	0	0	0	110.7	Q241 E245 D246 W247	Q241-H243 PolarHBondContact OE1-CE1 2.88Å; H243-E245 PolarHBondContact O-N 3.22Å; H243-E245 VanDerWaalsContact O-N 3.1Å; H243-D246 PolarHBondContact O-N 2.92Å; H243-D246 VanDerWaalsContact O-N 3.09Å; H243-W247 WeakPolarHBondContact O-CB 3.45Å; H243-W247 PolarHBondContact O-N 2.8Å
244	E	91.6	Very high	90.1	Very high	167 Å²	167	69.8 Å²	69.8	78%	0.78	34%	0.344	S	S	*	.	H	α-helix	trans	-57.5	-30.7	-172.6	-66.8	-171.1	165.2	0	0	113.3	F242 D246 S248	F242-E244 PolarHBondContact O-N 3.39Å; E244-D246 PolarHBondContact O-N 2.82Å; E244-S248 WeakPolarHBondContact O-CB 3.22Å; E244-S248 PolarHBondContact O-N 3.34Å; E244-S248 VanDerWaalsContact O-N 3.12Å; E244-S248 PolarHBondContact O-OG 3.4Å
245	E	90.4	Very high	90.9	Very high	162 Å²	162	67.4 Å²	67.4	76%	0.757	34%	0.335	S	S	*	.	H	α-helix	trans	-58.5	-33.8	179	-60.9	-179.5	-169.7	0	0	113.3	H243 K291	H243-E245 PolarHBondContact O-N 3.22Å; H243-E245 VanDerWaalsContact O-N 3.1Å; E245-K291 PolarHBondContact O-NZ 3.36Å
246	D	89.4	Confident	91.8	Very high	43 Å²	43	69.8 Å²	69.8	23%	0.23	35%	0.348	C	S	.	.	H	α-helix	trans	-109.4	-32.8	-178.1	-56.6	-50.4	0	0	0	112.6	C202 Y204 H243 E244	C202-D246 HydrophobicContact CB-CB 4.4Å; Y204-D246 HydrophobicContact CE1-CB 4.41Å; Y204-D246 WeakPolarHBondContact CE1-OD2 3.36Å; Y204-D246 PolarHBondContact OH-OD2 3.27Å; H243-D246 PolarHBondContact O-N 2.92Å; H243-D246 VanDerWaalsContact O-N 3.09Å; E244-D246 PolarHBondContact O-N 2.82Å
247	W	95.1	Very high	92.9	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-99.8	-2.9	-170	-69.6	84.5	0	0	0	114.4	Y198 L201 C202 Y204 F242 H243 L249 I250 K255 I258	Y198-W247 AromaticContact CD1-CZ2 3.97Å; Y198-W247 HydrophobicContact CD1-CZ2 3.97Å; Y198-W247 AromaticContact CD2-CH2 3.77Å; Y198-W247 HydrophobicContact CD2-CH2 3.77Å; Y198-W247 AromaticContact CD2-CZ2 3.52Å; Y198-W247 HydrophobicContact CD2-CZ2 3.52Å; Y198-W247 AromaticContact CE1-CZ2 3.85Å; Y198-W247 HydrophobicContact CE1-CZ2 3.85Å; Y198-W247 AromaticContact CE2-CE2 3.96Å; Y198-W247 HydrophobicContact CE2-CH2 4.02Å; Y198-W247 AromaticContact CE2-CZ2 3.38Å; Y198-W247 HydrophobicContact CE2-CZ2 3.38Å; Y198-W247 HydrophobicContact CG-CH2 4.12Å; Y198-W247 AromaticContact CG-CZ2 3.81Å; Y198-W247 HydrophobicContact CG-CZ2 3.81Å; Y198-W247 AromaticContact CZ-CE2 3.93Å; Y198-W247 AromaticContact CZ-CZ2 3.55Å; Y198-W247 AromaticContact CZ-NE1 3.9Å; L201-W247 HydrophobicContact CB-CH2 3.79Å; L201-W247 HydrophobicContact CB-CZ2 4.43Å; L201-W247 HydrophobicContact CB-CZ3 4.15Å; L201-W247 HydrophobicContact CD1-CH2 3.97Å; L201-W247 HydrophobicContact CD1-CZ3 3.86Å; C202-W247 HydrophobicContact CB-CZ2 3.85Å; Y204-W247 PolarHBondContact OH-NE1 3.01Å; F242-W247 HydrophobicContact CB-CB 3.81Å; F242-W247 HydrophobicContact CB-CD2 3.97Å; F242-W247 HydrophobicContact CB-CE3 4.38Å; F242-W247 HydrophobicContact CB-CG 3.7Å; F242-W247 AromaticContact CD1-CD2 3.44Å; F242-W247 HydrophobicContact CD1-CD2 3.44Å; F242-W247 VanDerWaalsContact CD1-CD2 3.44Å; F242-W247 AromaticContact CD1-CE2 3.65Å; F242-W247 AromaticContact CD1-CE3 3.42Å; F242-W247 HydrophobicContact CD1-CE3 3.42Å; F242-W247 VanDerWaalsContact CD1-CE3 3.42Å; F242-W247 HydrophobicContact CD1-CG 4.1Å; F242-W247 AromaticContact CD1-CH2 3.86Å; F242-W247 HydrophobicContact CD1-CH2 3.86Å; F242-W247 AromaticContact CD1-CZ2 3.87Å; F242-W247 HydrophobicContact CD1-CZ2 3.87Å; F242-W247 AromaticContact CD1-CZ3 3.64Å; F242-W247 HydrophobicContact CD1-CZ3 3.64Å; F242-W247 HydrophobicContact CE1-CD2 4.26Å; F242-W247 AromaticContact CE1-CE3 3.86Å; F242-W247 HydrophobicContact CE1-CE3 3.86Å; F242-W247 AromaticContact CE1-CH2 3.74Å; F242-W247 HydrophobicContact CE1-CH2 3.74Å; F242-W247 HydrophobicContact CE1-CZ2 4.13Å; F242-W247 AromaticContact CE1-CZ3 3.59Å; F242-W247 HydrophobicContact CE1-CZ3 3.59Å; F242-W247 HydrophobicContact CG-CD2 4.08Å; F242-W247 HydrophobicContact CG-CE3 4.11Å; F242-W247 HydrophobicContact CG-CG 4.34Å; H243-W247 WeakPolarHBondContact O-CB 3.45Å; H243-W247 PolarHBondContact O-N 2.8Å; W247-L249 VanDerWaalsContact C-N 3.3Å; W247-L249 PolarHBondContact O-N 2.79Å; W247-I250 HydrophobicContact CD2-CD1 3.88Å; W247-I250 HydrophobicContact CE3-CB 4.05Å; W247-I250 HydrophobicContact CE3-CD1 3.68Å; W247-I250 HydrophobicContact CE3-CG1 4.42Å; W247-I250 HydrophobicContact CE3-CG2 3.89Å; W247-I250 HydrophobicContact CG-CD1 4.33Å; W247-I250 HydrophobicContact CZ3-CD1 4.08Å; W247-I250 HydrophobicContact CZ3-CG2 3.96Å; W247-I250 PolarHBondContact O-N 3.31Å; W247-K255 HydrophobicContact CE3-CD 4.45Å; W247-K255 HydrophobicContact CE3-CG 3.88Å; W247-K255 HydrophobicContact CZ3-CG 4.13Å; W247-K255 WeakPolarHBondContact O-CE 3.45Å; W247-K255 PolarHBondContact O-NZ 3.06Å; W247-I258 HydrophobicContact CH2-CD1 3.47Å; W247-I258 VanDerWaalsContact CH2-CD1 3.47Å; W247-I258 HydrophobicContact CZ3-CD1 3.77Å
248	S	94.3	Very high	93.6	Very high	83 Å²	83	64.1 Å²	64.1	58%	0.58	32%	0.316	S	S	*	.	S	Bend	trans	-61.5	-35.2	178.9	45.9	0	0	0	0	113.4	E244	E244-S248 WeakPolarHBondContact O-CB 3.22Å; E244-S248 PolarHBondContact O-N 3.34Å; E244-S248 VanDerWaalsContact O-N 3.12Å; E244-S248 PolarHBondContact O-OG 3.4Å
249	L	94.1	Very high	94.4	Very high	123 Å²	123	68 Å²	68	64%	0.644	33%	0.326	S	S	*	.	S	Bend	trans	-89.2	-15.1	-179.7	-62.1	177.7	0	0	0	113.7	W247 T288	W247-L249 VanDerWaalsContact C-N 3.3Å; W247-L249 PolarHBondContact O-N 2.79Å; L249-T288 HydrophobicContact CB-CG2 4.1Å; L249-T288 WeakPolarHBondContact O-CG2 3.49Å
250	I	96.1	Very high	95	Very high	8 Å²	8	62.8 Å²	62.8	4%	0.041	30%	0.304	C	S	.	.	S	Bend	trans	-79	133.9	-175.2	-58.5	-178.9	0	0	0	109.4	L201 W247 A254 K255 L290	L201-I250 HydrophobicContact CB-CD1 4.07Å; L201-I250 HydrophobicContact CD1-CG2 4.14Å; L201-I250 WeakPolarHBondContact O-CD1 3.33Å; W247-I250 HydrophobicContact CD2-CD1 3.88Å; W247-I250 HydrophobicContact CE3-CB 4.05Å; W247-I250 HydrophobicContact CE3-CD1 3.68Å; W247-I250 HydrophobicContact CE3-CG1 4.42Å; W247-I250 HydrophobicContact CE3-CG2 3.89Å; W247-I250 HydrophobicContact CG-CD1 4.33Å; W247-I250 HydrophobicContact CZ3-CD1 4.08Å; W247-I250 HydrophobicContact CZ3-CG2 3.96Å; W247-I250 PolarHBondContact O-N 3.31Å; I250-A254 HydrophobicContact CG2-CB 3.85Å; I250-K255 WeakPolarHBondContact O-CE 3.33Å; I250-K255 PolarHBondContact O-NZ 3.15Å; I250-L290 HydrophobicContact CD1-CD2 4.31Å; I250-L290 HydrophobicContact CG1-CD2 4.27Å
251	S	96.9	Very high	95.3	Very high	15 Å²	15	60.6 Å²	60.6	11%	0.105	30%	0.295	C	S	.	.			trans	-57.9	146.2	-175.2	69.3	0	0	0	0	113.7	E94 Q253 A254 K255 W280	E94-S251 PolarHBondContact OE1-N 3.44Å; E94-S251 VanDerWaalsContact OE1-N 3.09Å; E94-S251 VanDerWaalsContact OE2-CB 3.28Å; E94-S251 WeakPolarHBondContact OE2-CB 3.25Å; E94-S251 PolarHBondContact OE2-N 3.43Å; E94-S251 PolarHBondContact OE2-OG 3.37Å; S251-Q253 PolarHBondContact O-N 3.46Å; S251-A254 WeakPolarHBondContact O-CB 3.28Å; S251-A254 PolarHBondContact O-N 3.05Å; S251-A254 VanDerWaalsContact O-N 3.17Å; S251-A254 WeakPolarHBondContact OG-CB 3.3Å; S251-A254 PolarHBondContact OG-N 2.94Å; S251-K255 PolarHBondContact O-N 3.06Å; S251-W280 PolarHBondContact OG-NE1 3.36Å
252	E	96.7	Very high	95.3	Very high	100 Å²	100	54.6 Å²	54.6	47%	0.467	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-27.5	174.4	-79.1	-51.9	127.9	0	0	112	K255 D256 R259	E252-K255 PolarHBondContact O-N 3.16Å; E252-K255 VanDerWaalsContact OE1-CD 3.29Å; E252-K255 WeakPolarHBondContact OE1-CD 3.49Å; E252-K255 WeakPolarHBondContact OE1-CE 3.19Å; E252-K255 IonicContact OE1-NZ 3.23Å; E252-K255 PolarHBondContact OE1-NZ 3.47Å; E252-D256 VanDerWaalsContact O-CB 3.26Å; E252-D256 WeakPolarHBondContact O-CB 3.45Å; E252-D256 PolarHBondContact O-N 2.93Å; E252-R259 IonicContact OE2-CZ 2.68Å; E252-R259 IonicContact OE2-NH1 3.06Å; E252-R259 PolarHBondContact OE2-NH1 3.49Å; E252-R259 IonicContact OE2-NH2 3.24Å; E252-R259 PolarHBondContact OE2-NH2 3.4Å; E252-R259 VanDerWaalsContact OE2-NH2 3.07Å
253	Q	97.3	Very high	95.1	Very high	100 Å²	100	54.2 Å²	54.2	47%	0.467	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-38.1	174.5	-63.7	82.8	-5.5	0	0	111.7	S251 D256 L257 H278 W280	S251-Q253 PolarHBondContact O-N 3.46Å; Q253-D256 PolarHBondContact O-N 2.97Å; Q253-L257 PolarHBondContact O-N 3.04Å; Q253-L257 VanDerWaalsContact O-N 3.07Å; Q253-H278 PolarHBondContact O-CE1 3.33Å; Q253-H278 VanDerWaalsContact O-CE1 3.23Å; Q253-W280 HydrophobicContact CB-CB 3.93Å; Q253-W280 HydrophobicContact CB-CG 4.24Å
254	A	97.8	Very high	94.8	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-45.9	173.9	0	0	0	0	0	111.3	L201 I250 S251 D256 L257 I258 W280	L201-A254 HydrophobicContact CD1-CB 3.75Å; I250-A254 HydrophobicContact CG2-CB 3.85Å; S251-A254 WeakPolarHBondContact O-CB 3.28Å; S251-A254 PolarHBondContact O-N 3.05Å; S251-A254 VanDerWaalsContact O-N 3.17Å; S251-A254 WeakPolarHBondContact OG-CB 3.3Å; S251-A254 PolarHBondContact OG-N 2.94Å; A254-D256 VanDerWaalsContact C-N 3.32Å; A254-D256 PolarHBondContact O-N 3.45Å; A254-L257 PolarHBondContact O-N 3.39Å; A254-I258 WeakPolarHBondContact O-CG1 3.49Å; A254-I258 PolarHBondContact O-N 3.32Å; A254-I258 VanDerWaalsContact O-N 3.12Å; A254-W280 HydrophobicContact CB-CD2 4.32Å; A254-W280 HydrophobicContact CB-CG 4.43Å; A254-W280 HydrophobicContact CB-CZ2 4.13Å
255	K	98	Very high	94.3	Very high	18 Å²	18	53.6 Å²	53.6	8%	0.078	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-39	177.9	-64.4	176.1	-159.9	164.6	0	111.5	F242 W247 I250 S251 E252 I258 R259	F242-K255 HydrophobicContact CD1-CG 4.41Å; F242-K255 HydrophobicContact CD2-CB 4.26Å; F242-K255 HydrophobicContact CD2-CD 4.07Å; F242-K255 HydrophobicContact CD2-CG 4.13Å; F242-K255 HydrophobicContact CE1-CG 4.27Å; F242-K255 HydrophobicContact CE2-CB 3.7Å; F242-K255 HydrophobicContact CE2-CD 4.36Å; F242-K255 HydrophobicContact CE2-CG 4Å; F242-K255 HydrophobicContact CG-CD 4.31Å; F242-K255 HydrophobicContact CG-CG 4.32Å; F242-K255 HydrophobicContact CZ-CB 3.81Å; F242-K255 HydrophobicContact CZ-CG 4.04Å; W247-K255 HydrophobicContact CE3-CD 4.45Å; W247-K255 HydrophobicContact CE3-CG 3.88Å; W247-K255 HydrophobicContact CZ3-CG 4.13Å; W247-K255 WeakPolarHBondContact O-CE 3.45Å; W247-K255 PolarHBondContact O-NZ 3.06Å; I250-K255 WeakPolarHBondContact O-CE 3.33Å; I250-K255 PolarHBondContact O-NZ 3.15Å; S251-K255 PolarHBondContact O-N 3.06Å; E252-K255 PolarHBondContact O-N 3.16Å; E252-K255 VanDerWaalsContact OE1-CD 3.29Å; E252-K255 WeakPolarHBondContact OE1-CD 3.49Å; E252-K255 WeakPolarHBondContact OE1-CE 3.19Å; E252-K255 IonicContact OE1-NZ 3.23Å; E252-K255 PolarHBondContact OE1-NZ 3.47Å; K255-I258 PolarHBondContact O-N 3.41Å; K255-R259 VanDerWaalsContact O-CG 3.28Å; K255-R259 WeakPolarHBondContact O-CG 3.34Å; K255-R259 PolarHBondContact O-N 3.38Å
256	D	97.9	Very high	94.1	Very high	56 Å²	56	46 Å²	46	30%	0.299	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-46.4	176.2	-171	69.4	0	0	0	111.8	E252 Q253 A254 I258 R259 H260 H278	E252-D256 VanDerWaalsContact O-CB 3.26Å; E252-D256 WeakPolarHBondContact O-CB 3.45Å; E252-D256 PolarHBondContact O-N 2.93Å; Q253-D256 PolarHBondContact O-N 2.97Å; A254-D256 VanDerWaalsContact C-N 3.32Å; A254-D256 PolarHBondContact O-N 3.45Å; D256-I258 VanDerWaalsContact C-N 3.31Å; D256-I258 PolarHBondContact O-N 2.85Å; D256-R259 WeakPolarHBondContact O-CB 3.49Å; D256-R259 PolarHBondContact O-N 3.14Å; D256-R259 VanDerWaalsContact O-N 3.13Å; D256-H260 PolarHBondContact O-N 3.37Å; D256-H260 VanDerWaalsContact O-N 3.12Å; D256-H260 PolarHBondContact O-ND1 2.74Å; D256-H260 IonicContact OD1-CE1 2.75Å; D256-H260 PolarHBondContact OD1-CE1 2.96Å; D256-H260 IonicContact OD1-ND1 2.8Å; D256-H260 IonicContact OD2-CE1 3.92Å; D256-H260 PolarHBondContact OD2-CE1 3.25Å; D256-H260 IonicContact OD2-ND1 3.35Å; D256-H260 PolarHBondContact OD2-ND1 3.27Å; D256-H278 IonicContact OD2-NE2 3.24Å; D256-H278 PolarHBondContact OD2-NE2 3.22Å
257	L	98.2	Very high	93.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-43.6	174.9	-179	55.3	0	0	0	111.6	I101 L197 Q253 A254 R259 H260 L261 Y270 V275 H278 W280 V281	I101-L257 HydrophobicContact CG2-CD2 4.41Å; L197-L257 HydrophobicContact CD2-CB 4.33Å; L197-L257 HydrophobicContact CD2-CD2 3.68Å; L197-L257 HydrophobicContact CD2-CG 3.87Å; Q253-L257 PolarHBondContact O-N 3.04Å; Q253-L257 VanDerWaalsContact O-N 3.07Å; A254-L257 PolarHBondContact O-N 3.39Å; L257-R259 PolarHBondContact O-N 3.49Å; L257-H260 PolarHBondContact O-N 3.17Å; L257-L261 HydrophobicContact CD1-CD1 3.99Å; L257-L261 HydrophobicContact CD1-CG 4.17Å; L257-L261 HydrophobicContact CG-CD1 3.9Å; L257-L261 HydrophobicContact CG-CG 4.48Å; L257-L261 VanDerWaalsContact O-CG 3.32Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.82Å; L257-Y270 HydrophobicContact CD1-CD2 4.24Å; L257-Y270 HydrophobicContact CD1-CE2 4.39Å; L257-V275 HydrophobicContact CD1-CG1 4.34Å; L257-V275 HydrophobicContact CD1-CG2 4.44Å; L257-H278 HydrophobicContact CD1-CB 4.19Å; L257-W280 HydrophobicContact CD2-CE3 3.72Å; L257-W280 HydrophobicContact CD2-CZ3 4.24Å; L257-V281 HydrophobicContact CD2-CG2 3.91Å
258	I	97.5	Very high	93.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-43.6	176	-70.1	171.1	0	0	0	111.3	L197 Y198 L201 Y240 F242 W247 A254 K255 D256 H260 L261 L262	L197-I258 HydrophobicContact CB-CG1 4.4Å; L197-I258 HydrophobicContact CD2-CD1 4.44Å; L197-I258 HydrophobicContact CD2-CG1 3.73Å; L197-I258 HydrophobicContact CG-CD1 4.08Å; L197-I258 HydrophobicContact CG-CG1 3.82Å; Y198-I258 HydrophobicContact CD2-CD1 4.21Å; Y198-I258 HydrophobicContact CD2-CG2 4.23Å; L201-I258 HydrophobicContact CD1-CD1 3.84Å; Y240-I258 HydrophobicContact CE2-CG2 3.89Å; F242-I258 HydrophobicContact CE1-CB 4.36Å; F242-I258 HydrophobicContact CE1-CD1 4.05Å; F242-I258 HydrophobicContact CE1-CG2 3.97Å; F242-I258 HydrophobicContact CZ-CB 4.02Å; F242-I258 HydrophobicContact CZ-CD1 4.46Å; F242-I258 HydrophobicContact CZ-CG2 3.79Å; W247-I258 HydrophobicContact CH2-CD1 3.47Å; W247-I258 VanDerWaalsContact CH2-CD1 3.47Å; W247-I258 HydrophobicContact CZ3-CD1 3.77Å; A254-I258 WeakPolarHBondContact O-CG1 3.49Å; A254-I258 PolarHBondContact O-N 3.32Å; A254-I258 VanDerWaalsContact O-N 3.12Å; K255-I258 PolarHBondContact O-N 3.41Å; D256-I258 VanDerWaalsContact C-N 3.31Å; D256-I258 PolarHBondContact O-N 2.85Å; I258-H260 PolarHBondContact O-N 3.42Å; I258-L261 PolarHBondContact O-N 3.01Å; I258-L261 VanDerWaalsContact O-N 3.12Å; I258-L262 HydrophobicContact CG2-CD1 3.64Å; I258-L262 HydrophobicContact CG2-CG 4.02Å; I258-L262 WeakPolarHBondContact O-CB 3.46Å; I258-L262 PolarHBondContact O-N 2.97Å
259	R	97.5	Very high	93.5	Very high	98 Å²	98	52.3 Å²	52.3	37%	0.37	24%	0.244	S	C	.	.	H	α-helix	trans	-58	-34.2	177.5	-70.6	170.7	-166.4	118.8	-3.8	112.6	Y240 F242 E252 K255 D256 L257 V263	Y240-R259 WeakPolarHBondContact OH-CA 3.21Å; Y240-R259 WeakPolarHBondContact OH-CG 3.43Å; F242-R259 HydrophobicContact CE2-CG 4.21Å; E252-R259 IonicContact OE2-CZ 2.68Å; E252-R259 IonicContact OE2-NH1 3.06Å; E252-R259 PolarHBondContact OE2-NH1 3.49Å; E252-R259 IonicContact OE2-NH2 3.24Å; E252-R259 PolarHBondContact OE2-NH2 3.4Å; E252-R259 VanDerWaalsContact OE2-NH2 3.07Å; K255-R259 VanDerWaalsContact O-CG 3.28Å; K255-R259 WeakPolarHBondContact O-CG 3.34Å; K255-R259 PolarHBondContact O-N 3.38Å; D256-R259 WeakPolarHBondContact O-CB 3.49Å; D256-R259 PolarHBondContact O-N 3.14Å; D256-R259 VanDerWaalsContact O-N 3.13Å; L257-R259 PolarHBondContact O-N 3.49Å; R259-V263 WeakPolarHBondContact O-CG2 3.31Å
260	H	96.9	Very high	93.5	Very high	57 Å²	57	48.7 Å²	48.7	26%	0.264	22%	0.222	S	C	.	.	H	α-helix	trans	-84.4	-20.4	178	-70.1	107.2	0	0	0	114.7	D256 L257 I258 V263 Y270	D256-H260 PolarHBondContact O-N 3.37Å; D256-H260 VanDerWaalsContact O-N 3.12Å; D256-H260 PolarHBondContact O-ND1 2.74Å; D256-H260 IonicContact OD1-CE1 2.75Å; D256-H260 PolarHBondContact OD1-CE1 2.96Å; D256-H260 IonicContact OD1-ND1 2.8Å; D256-H260 IonicContact OD2-CE1 3.92Å; D256-H260 PolarHBondContact OD2-CE1 3.25Å; D256-H260 IonicContact OD2-ND1 3.35Å; D256-H260 PolarHBondContact OD2-ND1 3.27Å; L257-H260 PolarHBondContact O-N 3.17Å; I258-H260 PolarHBondContact O-N 3.42Å; H260-V263 WeakPolarHBondContact O-CG2 3.36Å; H260-Y270 HydrophobicContact CB-CD1 3.58Å; H260-Y270 HydrophobicContact CB-CD2 3.61Å; H260-Y270 HydrophobicContact CB-CE1 3.5Å; H260-Y270 VanDerWaalsContact CB-CE1 3.5Å; H260-Y270 HydrophobicContact CB-CE2 3.51Å; H260-Y270 HydrophobicContact CB-CG 3.63Å; H260-Y270 VanDerWaalsContact CB-CZ 3.45Å; H260-Y270 AromaticContact CD2-CD1 3.87Å; H260-Y270 AromaticContact CD2-CE1 3.09Å; H260-Y270 WeakPolarHBondContact CD2-CE1 3.39Å; H260-Y270 AromaticContact CD2-CZ 3.36Å; H260-Y270 PolarHBondContact CD2-OH 3.1Å; H260-Y270 AromaticContact CE1-CZ 3.97Å; H260-Y270 PolarHBondContact CE1-OH 3.17Å; H260-Y270 VanDerWaalsContact CE1-OH 3.27Å; H260-Y270 AromaticContact CG-CD1 3.96Å; H260-Y270 AromaticContact CG-CE1 3.34Å; H260-Y270 AromaticContact CG-CE2 3.76Å; H260-Y270 AromaticContact CG-CZ 3.21Å; H260-Y270 AromaticContact ND1-CZ 3.63Å; H260-Y270 PolarHBondContact ND1-OH 3.48Å; H260-Y270 AromaticContact NE2-CE1 3.82Å; H260-Y270 AromaticContact NE2-CZ 3.83Å; H260-Y270 PolarHBondContact NE2-OH 3.41Å; H260-Y270 PolarHBondContact O-N 3.08Å; H260-Y270 VanDerWaalsContact O-N 3.09Å
261	L	95.5	Very high	93.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-87.7	-42.4	175.2	-69.7	172.7	0	0	0	112.5	L190 L197 L257 I258 V263 R269 V275	L190-L261 HydrophobicContact CB-CD2 3.96Å; L190-L261 HydrophobicContact CD1-CD2 4.26Å; L190-L261 HydrophobicContact CG-CD2 4.45Å; L190-L261 WeakPolarHBondContact O-CD2 3.32Å; L197-L261 HydrophobicContact CD2-CD1 4.35Å; L257-L261 HydrophobicContact CD1-CD1 3.99Å; L257-L261 HydrophobicContact CD1-CG 4.17Å; L257-L261 HydrophobicContact CG-CD1 3.9Å; L257-L261 HydrophobicContact CG-CG 4.48Å; L257-L261 VanDerWaalsContact O-CG 3.32Å; L257-L261 WeakPolarHBondContact O-CG 3.35Å; L257-L261 PolarHBondContact O-N 2.82Å; I258-L261 PolarHBondContact O-N 3.01Å; I258-L261 VanDerWaalsContact O-N 3.12Å; L261-V263 PolarHBondContact O-N 3.39Å; L261-V263 VanDerWaalsContact O-N 3.13Å; L261-R269 WeakPolarHBondContact O-CD 3.47Å; L261-R269 WeakPolarHBondContact O-CG 3.48Å; L261-R269 PolarHBondContact O-NE 3.39Å; L261-V275 HydrophobicContact CD2-CG2 3.64Å
262	L	93.2	Very high	93.3	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	24%	0.241	C	C	.	.	S	Bend	trans	-87.9	41.1	-179.1	-59.9	-173.2	0	0	0	112.5	W191 V195 P206 F207 Y240 I258	W191-L262 HydrophobicContact CD2-CD2 4.17Å; W191-L262 HydrophobicContact CE3-CD2 4.35Å; W191-L262 VanDerWaalsContact CZ3-C 3.43Å; W191-L262 HydrophobicContact CZ3-CB 4.4Å; V195-L262 HydrophobicContact CG2-CD2 3.71Å; P206-L262 HydrophobicContact CB-CD1 4.12Å; P206-L262 HydrophobicContact CG-CD1 3.94Å; F207-L262 HydrophobicContact CE2-CD1 4.25Å; Y240-L262 HydrophobicContact CD1-CB 4.21Å; Y240-L262 HydrophobicContact CD1-CD1 4.12Å; Y240-L262 HydrophobicContact CD2-CD1 4.49Å; Y240-L262 HydrophobicContact CE1-CB 3.65Å; Y240-L262 HydrophobicContact CE1-CD1 4.1Å; Y240-L262 HydrophobicContact CE2-CD1 4.46Å; Y240-L262 HydrophobicContact CG-CD1 4.33Å; I258-L262 HydrophobicContact CG2-CD1 3.64Å; I258-L262 HydrophobicContact CG2-CG 4.02Å; I258-L262 WeakPolarHBondContact O-CB 3.46Å; I258-L262 PolarHBondContact O-N 2.97Å
263	V	90.5	Very high	93.2	Very high	35 Å²	35	51.9 Å²	51.9	21%	0.212	24%	0.242	C	C	.	.			trans	-86.2	125	174.7	-175.8	0	0	0	0	109.6	W191 R259 H260 L261 D265 H268 R269	W191-V263 WeakPolarHBondContact CZ3-O 3.2Å; R259-V263 WeakPolarHBondContact O-CG2 3.31Å; H260-V263 WeakPolarHBondContact O-CG2 3.36Å; L261-V263 PolarHBondContact O-N 3.39Å; L261-V263 VanDerWaalsContact O-N 3.13Å; V263-D265 VanDerWaalsContact C-N 3.33Å; V263-D265 WeakPolarHBondContact CG1-O 3.28Å; V263-D265 PolarHBondContact O-N 3.29Å; V263-H268 HydrophobicContact CG1-CB 3.9Å; V263-R269 HydrophobicContact CB-CB 4.31Å; V263-R269 PolarHBondContact O-NE 3.49Å; V263-R269 VanDerWaalsContact O-NE 3.12Å; V263-R269 PolarHBondContact O-NH2 3.11Å
264	R	84.9	Confident	93.2	Very high	167 Å²	167	50.1 Å²	50.1	63%	0.63	24%	0.236	S	C	*	.	S	Bend	trans	-54.9	-48.9	180	179.6	-174.3	175.1	-178.8	2.5	111.7	Q236 A266 R269	Q236-R264 WeakPolarHBondContact O-CD 3.46Å; Q236-R264 VanDerWaalsContact O-CZ 3.3Å; Q236-R264 PolarHBondContact O-NE 3.19Å; R264-A266 PolarHBondContact O-N 3.35Å; R264-R269 PolarHBondContact O-NH2 3.21Å
265	D	82.7	Confident	93.2	Very high	54 Å²	54	50.1 Å²	50.1	29%	0.289	24%	0.236	S	C	.	.	S	Bend	trans	-80.6	116.1	178.3	-171.2	6	0	0	0	111	V263 E267 H268 R269	V263-D265 VanDerWaalsContact C-N 3.33Å; V263-D265 WeakPolarHBondContact CG1-O 3.28Å; V263-D265 PolarHBondContact O-N 3.29Å; D265-E267 PolarHBondContact O-N 3.2Å; D265-E267 PolarHBondContact OD1-N 2.82Å; D265-H268 PolarHBondContact O-N 3.06Å; D265-H268 IonicContact OD2-CE1 3.78Å; D265-H268 PolarHBondContact OD2-CE1 3.3Å; D265-H268 VanDerWaalsContact OD2-CE1 3.31Å; D265-H268 IonicContact OD2-ND1 2.71Å; D265-H268 PolarHBondContact OD2-ND1 3.02Å; D265-R269 PolarHBondContact O-N 3.27Å
266	A	85.9	Confident	93.2	Very high	3 Å²	3	51.8 Å²	51.8	3%	0.025	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.2	-179.2	0	0	0	0	0	112.7	Y184 R187 R264 H268 R269	Y184-A266 HydrophobicContact CD2-CB 3.5Å; Y184-A266 HydrophobicContact CE2-CB 3.5Å; Y184-A266 VanDerWaalsContact CE2-CB 3.5Å; Y184-A266 HydrophobicContact CG-CB 4.39Å; R187-A266 HydrophobicContact CB-CB 3.89Å; R187-A266 HydrophobicContact CG-CB 4.11Å; R187-A266 WeakPolarHBondContact CG-O 3.35Å; R264-A266 PolarHBondContact O-N 3.35Å; A266-H268 VanDerWaalsContact C-N 3.27Å; A266-H268 PolarHBondContact O-N 3.45Å; A266-R269 WeakPolarHBondContact O-CB 3.16Å; A266-R269 PolarHBondContact O-N 2.88Å
267	E	84.1	Confident	93.2	Very high	119 Å²	119	52.3 Å²	52.3	56%	0.556	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-36.3	178.3	-69.4	169.6	-145.5	0	0	111.7	R187 D265 K327	R187-E267 PolarHBondContact NH2-O 2.74Å; D265-E267 PolarHBondContact O-N 3.2Å; D265-E267 PolarHBondContact OD1-N 2.82Å; E267-K327 IonicContact OE1-NZ 2.77Å; E267-K327 PolarHBondContact OE1-NZ 3.07Å
268	H	88.4	Confident	93.2	Very high	135 Å²	135	52.8 Å²	52.8	63%	0.625	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-12.2	-179.8	-65.4	97.1	0	0	0	114	V263 D265 A266	V263-H268 HydrophobicContact CG1-CB 3.9Å; D265-H268 PolarHBondContact O-N 3.06Å; D265-H268 IonicContact OD2-CE1 3.78Å; D265-H268 PolarHBondContact OD2-CE1 3.3Å; D265-H268 VanDerWaalsContact OD2-CE1 3.31Å; D265-H268 IonicContact OD2-ND1 2.71Å; D265-H268 PolarHBondContact OD2-ND1 3.02Å; A266-H268 VanDerWaalsContact C-N 3.27Å; A266-H268 PolarHBondContact O-N 3.45Å
269	R	93.2	Very high	93.2	Very high	5 Å²	5	55.9 Å²	55.9	2%	0.019	28%	0.28	C	S	.	.	S	Bend	trans	-62.1	156.7	176.3	-163.7	174.2	-59.2	139.6	9.3	110.1	R187 L190 L261 V263 R264 D265 A266	R187-R269 VanDerWaalsContact C-NH1 3.33Å; R187-R269 VanDerWaalsContact CZ-O 3.23Å; R187-R269 PolarHBondContact NH1-O 3.32Å; R187-R269 PolarHBondContact NH2-O 3Å; R187-R269 WeakPolarHBondContact O-CD 3.37Å; R187-R269 PolarHBondContact O-NH1 3.24Å; L190-R269 HydrophobicContact CB-CG 4.45Å; L261-R269 WeakPolarHBondContact O-CD 3.47Å; L261-R269 WeakPolarHBondContact O-CG 3.48Å; L261-R269 PolarHBondContact O-NE 3.39Å; V263-R269 HydrophobicContact CB-CB 4.31Å; V263-R269 PolarHBondContact O-NE 3.49Å; V263-R269 VanDerWaalsContact O-NE 3.12Å; V263-R269 PolarHBondContact O-NH2 3.11Å; R264-R269 PolarHBondContact O-NH2 3.21Å; D265-R269 PolarHBondContact O-N 3.27Å; A266-R269 WeakPolarHBondContact O-CB 3.16Å; A266-R269 PolarHBondContact O-N 2.88Å
270	Y	94.6	Very high	93.2	Very high	47 Å²	47	51.3 Å²	51.3	18%	0.184	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-64.4	145.3	172.6	-90.8	12.9	0	0	0	114.2	R187 L257 H260 N274 V275 H278	R187-Y270 PolarHBondContact NH1-O 2.91Å; L257-Y270 HydrophobicContact CD1-CD2 4.24Å; L257-Y270 HydrophobicContact CD1-CE2 4.39Å; H260-Y270 HydrophobicContact CB-CD1 3.58Å; H260-Y270 HydrophobicContact CB-CD2 3.61Å; H260-Y270 HydrophobicContact CB-CE1 3.5Å; H260-Y270 VanDerWaalsContact CB-CE1 3.5Å; H260-Y270 HydrophobicContact CB-CE2 3.51Å; H260-Y270 HydrophobicContact CB-CG 3.63Å; H260-Y270 VanDerWaalsContact CB-CZ 3.45Å; H260-Y270 AromaticContact CD2-CD1 3.87Å; H260-Y270 AromaticContact CD2-CE1 3.09Å; H260-Y270 WeakPolarHBondContact CD2-CE1 3.39Å; H260-Y270 AromaticContact CD2-CZ 3.36Å; H260-Y270 PolarHBondContact CD2-OH 3.1Å; H260-Y270 AromaticContact CE1-CZ 3.97Å; H260-Y270 PolarHBondContact CE1-OH 3.17Å; H260-Y270 VanDerWaalsContact CE1-OH 3.27Å; H260-Y270 AromaticContact CG-CD1 3.96Å; H260-Y270 AromaticContact CG-CE1 3.34Å; H260-Y270 AromaticContact CG-CE2 3.76Å; H260-Y270 AromaticContact CG-CZ 3.21Å; H260-Y270 AromaticContact ND1-CZ 3.63Å; H260-Y270 PolarHBondContact ND1-OH 3.48Å; H260-Y270 AromaticContact NE2-CE1 3.82Å; H260-Y270 AromaticContact NE2-CZ 3.83Å; H260-Y270 PolarHBondContact NE2-OH 3.41Å; H260-Y270 PolarHBondContact O-N 3.08Å; H260-Y270 VanDerWaalsContact O-N 3.09Å; Y270-N274 HydrophobicContact CD1-CB 4.04Å; Y270-N274 HydrophobicContact CD2-CB 3.6Å; Y270-N274 HydrophobicContact CE1-CB 4.45Å; Y270-N274 HydrophobicContact CE2-CB 4.06Å; Y270-N274 HydrophobicContact CG-CB 3.59Å; Y270-V275 HydrophobicContact CD2-CG2 4.45Å; Y270-H278 AromaticContact CE2-CD2 3.97Å
271	F	93.2	Very high	93.2	Very high	109 Å²	109	49.2 Å²	49.2	48%	0.478	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-81.1	159.5	166	-65.8	-85.7	0	0	0	107.5	R187 S273 N274 V275	R187-F271 VanDerWaalsContact CZ-CZ 3.44Å; R187-F271 VanDerWaalsContact NH1-CA 3.25Å; R187-F271 VanDerWaalsContact NH1-CD1 3.32Å; R187-F271 VanDerWaalsContact NH1-CD2 3.34Å; R187-F271 VanDerWaalsContact NH2-CE1 3.29Å; F271-S273 PolarHBondContact O-N 3.4Å; F271-N274 WeakPolarHBondContact CB-OD1 3.03Å; F271-N274 WeakPolarHBondContact CD2-OD1 3.39Å; F271-N274 PolarHBondContact N-OD1 3.34Å; F271-N274 WeakPolarHBondContact O-CA 3.45Å; F271-N274 WeakPolarHBondContact O-CB 3.47Å; F271-N274 PolarHBondContact O-N 3.12Å; F271-V275 PolarHBondContact O-N 3.36Å
272	V	95.3	Very high	93.2	Very high	11 Å²	11	52.7 Å²	52.7	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-31.5	176.5	68.1	0	0	0	0	112.8	A105 L108 L190 N274 V275 L276	A105-V272 HydrophobicContact CB-CG2 4.15Å; A105-V272 WeakPolarHBondContact O-CG2 3.26Å; L108-V272 HydrophobicContact CB-CG2 4.06Å; L190-V272 HydrophobicContact CD1-CB 4.21Å; L190-V272 HydrophobicContact CD1-CG2 4.46Å; V272-N274 VanDerWaalsContact C-N 3.34Å; V272-N274 PolarHBondContact O-N 2.77Å; V272-V275 PolarHBondContact O-N 3.4Å; V272-L276 WeakPolarHBondContact O-CG 3.49Å; V272-L276 PolarHBondContact O-N 2.83Å
273	S	95.4	Very high	93.1	Very high	70 Å²	70	58.7 Å²	58.7	49%	0.49	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-36.5	171.7	52.3	0	0	0	0	113	F271 A277	F271-S273 PolarHBondContact O-N 3.4Å; S273-A277 VanDerWaalsContact O-CB 3.3Å; S273-A277 WeakPolarHBondContact O-CB 3.44Å; S273-A277 PolarHBondContact O-N 3.44Å; S273-A277 VanDerWaalsContact O-N 3.09Å
274	N	97.1	Very high	92.9	Very high	63 Å²	63	58.8 Å²	58.8	34%	0.337	32%	0.315	S	S	.	.	H	α-helix	trans	-67.2	-39	174.9	-58.3	115.8	0	0	0	111.3	Y270 F271 V272 A277 H278	Y270-N274 HydrophobicContact CD1-CB 4.04Å; Y270-N274 HydrophobicContact CD2-CB 3.6Å; Y270-N274 HydrophobicContact CE1-CB 4.45Å; Y270-N274 HydrophobicContact CE2-CB 4.06Å; Y270-N274 HydrophobicContact CG-CB 3.59Å; F271-N274 WeakPolarHBondContact CB-OD1 3.03Å; F271-N274 WeakPolarHBondContact CD2-OD1 3.39Å; F271-N274 PolarHBondContact N-OD1 3.34Å; F271-N274 WeakPolarHBondContact O-CA 3.45Å; F271-N274 WeakPolarHBondContact O-CB 3.47Å; F271-N274 PolarHBondContact O-N 3.12Å; V272-N274 VanDerWaalsContact C-N 3.34Å; V272-N274 PolarHBondContact O-N 2.77Å; N274-A277 CarbonylContact O-C 3.56Å; N274-A277 PolarHBondContact O-N 3.27Å; N274-H278 PolarHBondContact O-N 3.13Å
275	V	97.7	Very high	93.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-47.4	176.6	-178.6	0	0	0	0	111	I101 A105 L190 L193 L257 L261 Y270 F271 V272 A277 H278 V281	I101-V275 HydrophobicContact CG2-CG1 3.94Å; A105-V275 HydrophobicContact CB-CB 4.46Å; A105-V275 HydrophobicContact CB-CG1 3.95Å; L190-V275 HydrophobicContact CD1-CG2 3.97Å; L193-V275 HydrophobicContact CD2-CG1 4.14Å; L257-V275 HydrophobicContact CD1-CG1 4.34Å; L257-V275 HydrophobicContact CD1-CG2 4.44Å; L261-V275 HydrophobicContact CD2-CG2 3.64Å; Y270-V275 HydrophobicContact CD2-CG2 4.45Å; F271-V275 PolarHBondContact O-N 3.36Å; V272-V275 PolarHBondContact O-N 3.4Å; V275-A277 PolarHBondContact O-N 3.49Å; V275-H278 WeakPolarHBondContact O-CB 3.48Å; V275-H278 PolarHBondContact O-N 3.21Å; V275-V281 WeakPolarHBondContact O-CG2 3.34Å
276	L	97.4	Very high	93.9	Very high	53 Å²	53	51.3 Å²	51.3	28%	0.277	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-23.9	178.8	-72.5	171	0	0	0	113.2	R102 A105 V272 T282	R102-L276 HydrophobicContact CG-CD2 4.42Å; A105-L276 HydrophobicContact CB-CD2 3.72Å; A105-L276 HydrophobicContact CB-CG 3.97Å; V272-L276 WeakPolarHBondContact O-CG 3.49Å; V272-L276 PolarHBondContact O-N 2.83Å; L276-T282 WeakPolarHBondContact O-CG2 3.23Å
277	A	97.7	Very high	94.4	Very high	68 Å²	68	56.8 Å²	56.8	56%	0.562	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	0.7	177.3	0	0	0	0	0	113.6	S273 N274 V275	S273-A277 VanDerWaalsContact O-CB 3.3Å; S273-A277 WeakPolarHBondContact O-CB 3.44Å; S273-A277 PolarHBondContact O-N 3.44Å; S273-A277 VanDerWaalsContact O-N 3.09Å; N274-A277 CarbonylContact O-C 3.56Å; N274-A277 PolarHBondContact O-N 3.27Å; V275-A277 PolarHBondContact O-N 3.49Å
278	H	98.2	Very high	94.9	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.046	30%	0.301	C	S	.	.			trans	-73.8	135.2	-175.6	-172.6	-88.8	0	0	0	110.6	Q253 D256 L257 Y270 N274 V275 W280 V281 T282	Q253-H278 PolarHBondContact O-CE1 3.33Å; Q253-H278 VanDerWaalsContact O-CE1 3.23Å; D256-H278 IonicContact OD2-NE2 3.24Å; D256-H278 PolarHBondContact OD2-NE2 3.22Å; L257-H278 HydrophobicContact CD1-CB 4.19Å; Y270-H278 AromaticContact CE2-CD2 3.97Å; N274-H278 PolarHBondContact O-N 3.13Å; V275-H278 WeakPolarHBondContact O-CB 3.48Å; V275-H278 PolarHBondContact O-N 3.21Å; H278-W280 VanDerWaalsContact C-N 3.26Å; H278-W280 VanDerWaalsContact ND1-CB 3.32Å; H278-W280 WeakPolarHBondContact ND1-CB 3.36Å; H278-W280 PolarHBondContact ND1-N 3.37Å; H278-W280 PolarHBondContact O-N 3.22Å; H278-W280 VanDerWaalsContact O-N 3.1Å; H278-V281 HydrophobicContact CB-CG2 4.45Å; H278-V281 WeakPolarHBondContact O-CA 3.46Å; H278-V281 WeakPolarHBondContact O-CB 3.2Å; H278-V281 PolarHBondContact O-N 2.75Å; H278-T282 PolarHBondContact O-N 3.15Å; H278-T282 PolarHBondContact O-OG1 2.95Å
279	P	97.1	Very high	95.2	Very high	64 Å²	64	50.5 Å²	50.5	42%	0.416	30%	0.299	S	S	.	.	H	α-helix	trans	-51.7	-39.2	-176.5	-31.1	36.7	0	0	0	114.7	V281 T282 D283	P279-V281 PolarHBondContact O-N 3.43Å; P279-T282 WeakPolarHBondContact CA-OG1 3.26Å; P279-T282 PolarHBondContact O-N 2.81Å; P279-D283 WeakPolarHBondContact O-CB 3.33Å; P279-D283 PolarHBondContact O-N 3.2Å
280	W	97.7	Very high	95.3	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.011	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-27.5	176.5	-166.9	77.5	0	0	0	113.6	E94 A97 S98 I101 L197 L201 S251 Q253 A254 L257 H278 A285	E94-W280 HydrophobicContact CB-CZ2 4.17Å; E94-W280 WeakPolarHBondContact O-CZ2 3.32Å; E94-W280 PolarHBondContact OE2-NE1 2.65Å; A97-W280 HydrophobicContact CB-CH2 3.9Å; A97-W280 HydrophobicContact CB-CZ2 4.37Å; S98-W280 VanDerWaalsContact CA-CH2 3.45Å; S98-W280 VanDerWaalsContact CB-CZ3 3.41Å; S98-W280 WeakPolarHBondContact CB-O 3.44Å; S98-W280 VanDerWaalsContact N-CH2 3.33Å; I101-W280 HydrophobicContact CB-CZ3 4.3Å; I101-W280 HydrophobicContact CG1-CZ3 4.06Å; L197-W280 HydrophobicContact CD1-CH2 3.45Å; L197-W280 VanDerWaalsContact CD1-CH2 3.45Å; L197-W280 HydrophobicContact CD1-CZ2 4.33Å; L197-W280 HydrophobicContact CD1-CZ3 3.7Å; L197-W280 HydrophobicContact CD2-CZ3 4.25Å; L201-W280 HydrophobicContact CD2-CZ2 4.13Å; S251-W280 PolarHBondContact OG-NE1 3.36Å; Q253-W280 HydrophobicContact CB-CB 3.93Å; Q253-W280 HydrophobicContact CB-CG 4.24Å; A254-W280 HydrophobicContact CB-CD2 4.32Å; A254-W280 HydrophobicContact CB-CG 4.43Å; A254-W280 HydrophobicContact CB-CZ2 4.13Å; L257-W280 HydrophobicContact CD2-CE3 3.72Å; L257-W280 HydrophobicContact CD2-CZ3 4.24Å; H278-W280 VanDerWaalsContact C-N 3.26Å; H278-W280 VanDerWaalsContact ND1-CB 3.32Å; H278-W280 WeakPolarHBondContact ND1-CB 3.36Å; H278-W280 PolarHBondContact ND1-N 3.37Å; H278-W280 PolarHBondContact O-N 3.22Å; H278-W280 VanDerWaalsContact O-N 3.1Å; W280-A285 HydrophobicContact CD2-CB 3.98Å; W280-A285 VanDerWaalsContact CE2-CB 3.44Å; W280-A285 HydrophobicContact CG-CB 4.09Å; W280-A285 HydrophobicContact CZ2-CB 3.92Å; W280-A285 PolarHBondContact O-N 3.38Å
281	V	97.4	Very high	95.1	Very high	12 Å²	12	53.5 Å²	53.5	7%	0.073	31%	0.314	C	S	.	.	H	α-helix	trans	-93.9	-39.9	178.9	-178.8	0	0	0	0	111.3	I101 R102 L257 V275 H278 P279	I101-V281 HydrophobicContact CG2-CG2 4.18Å; R102-V281 HydrophobicContact CB-CG1 3.75Å; R102-V281 HydrophobicContact CG-CG1 3.92Å; L257-V281 HydrophobicContact CD2-CG2 3.91Å; V275-V281 WeakPolarHBondContact O-CG2 3.34Å; H278-V281 HydrophobicContact CB-CG2 4.45Å; H278-V281 WeakPolarHBondContact O-CA 3.46Å; H278-V281 WeakPolarHBondContact O-CB 3.2Å; H278-V281 PolarHBondContact O-N 2.75Å; P279-V281 PolarHBondContact O-N 3.43Å
282	T	95.2	Very high	94.8	Very high	74 Å²	74	48.3 Å²	48.3	45%	0.454	29%	0.291	S	S	.	.	H	α-helix	trans	-83.5	-44.8	-175	55.6	0	0	0	0	113.7	L276 H278 P279 G284	L276-T282 WeakPolarHBondContact O-CG2 3.23Å; H278-T282 PolarHBondContact O-N 3.15Å; H278-T282 PolarHBondContact O-OG1 2.95Å; P279-T282 WeakPolarHBondContact CA-OG1 3.26Å; P279-T282 PolarHBondContact O-N 2.81Å; T282-G284 VanDerWaalsContact C-N 3.31Å
283	D	91.5	Very high	94.5	Very high	131 Å²	131	48 Å²	48	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-7.3	-168.5	-54.9	-9.8	0	0	0	111.6	P279	P279-D283 WeakPolarHBondContact O-CB 3.33Å; P279-D283 PolarHBondContact O-N 3.2Å
284	G	85.5	Confident	94.1	Very high	37 Å²	37	48.5 Å²	48.5	38%	0.381	29%	0.286	S	S	.	.			trans	90	126.5	-174.1	0	0	0	0	0	111.2	T282	T282-G284 VanDerWaalsContact C-N 3.31Å
285	A	94.8	Very high	93.6	Very high	8 Å²	8	46.7 Å²	46.7	7%	0.066	28%	0.278	C	S	.	.			trans	-74.9	158.8	172.1	0	0	0	0	0	110.9	E94 W280	E94-A285 HydrophobicContact CB-CB 4.08Å; W280-A285 HydrophobicContact CD2-CB 3.98Å; W280-A285 VanDerWaalsContact CE2-CB 3.44Å; W280-A285 HydrophobicContact CG-CB 4.09Å; W280-A285 HydrophobicContact CZ2-CB 3.92Å; W280-A285 PolarHBondContact O-N 3.38Å
286	P	95.4	Very high	92.9	Very high	55 Å²	55	46.8 Å²	46.8	36%	0.357	28%	0.278	S	S	.	.			trans	-59.4	158.1	176.9	-25.7	37.1	0	0	0	113.1	E94 W95 T288	E94-P286 WeakPolarHBondContact CB-O 3.43Å; W95-P286 PolarHBondContact N-O 3.1Å; P286-T288 WeakPolarHBondContact CB-OG1 3.49Å; P286-T288 PolarHBondContact O-N 3.46Å; P286-T288 VanDerWaalsContact O-N 3.16Å
287	M	95.4	Very high	92	Very high	119 Å²	119	48.9 Å²	48.9	59%	0.586	29%	0.288	S	S	*	.			trans	-81.4	21.5	173.5	-70.2	-72.3	-177.7	0	0	112.8	W95 P289	W95-M287 HydrophobicContact CB-CE 4.01Å; W95-M287 HydrophobicContact CB-SD 3.65Å; W95-M287 HydrophobicContact CD2-CE 3.44Å; W95-M287 VanDerWaalsContact CD2-CE 3.44Å; W95-M287 HydrophobicContact CD2-SD 4.1Å; W95-M287 HydrophobicContact CE3-CE 3.74Å; W95-M287 HydrophobicContact CE3-SD 4.17Å; W95-M287 HydrophobicContact CG-CE 3.55Å; W95-M287 HydrophobicContact CG-SD 3.89Å; W95-M287 HydrophobicContact CZ2-CE 4.47Å; W95-M287 HydrophobicContact CZ3-CE 4.37Å; M287-P289 VanDerWaalsContact O-CD 3.29Å; M287-P289 WeakPolarHBondContact O-CD 3.2Å
288	T	95.2	Very high	90.6	Very high	32 Å²	32	55.5 Å²	55.5	20%	0.196	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-55.6	120.5	-179.9	-49.3	0	0	0	0	110	T93 E94 L249 P286 L290	T93-T288 VanDerWaalsContact CA-O 3.26Å; T93-T288 WeakPolarHBondContact CA-O 3.42Å; T93-T288 WeakPolarHBondContact CB-O 3.39Å; E94-T288 PolarHBondContact N-O 3.1Å; E94-T288 VanDerWaalsContact N-O 3.14Å; E94-T288 VanDerWaalsContact OE1-CB 3.24Å; E94-T288 WeakPolarHBondContact OE1-CB 3.43Å; E94-T288 PolarHBondContact OE1-OG1 2.99Å; L249-T288 HydrophobicContact CB-CG2 4.1Å; L249-T288 WeakPolarHBondContact O-CG2 3.49Å; P286-T288 WeakPolarHBondContact CB-OG1 3.49Å; P286-T288 PolarHBondContact O-N 3.46Å; P286-T288 VanDerWaalsContact O-N 3.16Å; T288-L290 PolarHBondContact O-N 3.21Å
289	P	94.6	Very high	89	Confident	90 Å²	90	58.8 Å²	58.8	58%	0.584	32%	0.316	S	S	*	.	B	Isolated β-bridge	trans	-66.1	131.2	173.6	-20.3	33.4	0	0	0	110.9	M287	M287-P289 VanDerWaalsContact O-CD 3.29Å; M287-P289 WeakPolarHBondContact O-CD 3.2Å
290	L	94.3	Very high	87	Confident	13 Å²	13	64.1 Å²	64.1	7%	0.068	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-95.2	141.2	179.5	-57.7	170.1	0	0	0	109.7	F92 E94 A97 L201 I250 T288 T292 P293	F92-L290 HydrophobicContact CD1-CB 4.49Å; F92-L290 HydrophobicContact CD1-CD1 3.61Å; F92-L290 HydrophobicContact CE1-CD1 3.8Å; F92-L290 VanDerWaalsContact O-CB 3.29Å; F92-L290 WeakPolarHBondContact O-CB 3.34Å; F92-L290 PolarHBondContact O-N 2.89Å; E94-L290 HydrophobicContact CG-CD2 3.76Å; E94-L290 HydrophobicContact CG-CG 4.45Å; A97-L290 HydrophobicContact CB-CD1 4.44Å; L201-L290 HydrophobicContact CD2-CD1 3.86Å; L201-L290 HydrophobicContact CD2-CD2 4.04Å; L201-L290 WeakPolarHBondContact O-CD2 3.47Å; I250-L290 HydrophobicContact CD1-CD2 4.31Å; I250-L290 HydrophobicContact CG1-CD2 4.27Å; T288-L290 PolarHBondContact O-N 3.21Å; L290-T292 PolarHBondContact O-N 3.24Å; L290-P293 VanDerWaalsContact O-CD 3.28Å; L290-P293 WeakPolarHBondContact O-CD 3.33Å
291	K	90.8	Very high	85.1	Confident	102 Å²	102	65.4 Å²	65.4	44%	0.443	35%	0.345	S	S	.	.	S	Bend	trans	-72.8	-3.4	173.7	-61.1	177.5	-174.8	170	0	112.6	E245 D294 V295	E245-K291 PolarHBondContact O-NZ 3.36Å; K291-D294 WeakPolarHBondContact O-CB 3.48Å; K291-D294 PolarHBondContact O-N 3.36Å; K291-V295 HydrophobicContact CB-CG2 4.37Å; K291-V295 WeakPolarHBondContact O-CG2 3.46Å; K291-V295 PolarHBondContact O-N 2.82Å
292	T	88.2	Confident	83.4	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-49.6	-49.6	-175.4	-54	0	0	0	0	113	I86 M200 L201 L290 D294 V295 L296	I86-T292 HydrophobicContact CG2-CG2 3.8Å; M200-T292 WeakPolarHBondContact O-CB 3.35Å; M200-T292 WeakPolarHBondContact O-CG2 3.29Å; M200-T292 PolarHBondContact O-OG1 3.09Å; L201-T292 PolarHBondContact O-OG1 3.38Å; L290-T292 PolarHBondContact O-N 3.24Å; T292-D294 VanDerWaalsContact C-N 3.3Å; T292-D294 PolarHBondContact O-N 3.41Å; T292-V295 PolarHBondContact O-N 2.65Å; T292-L296 HydrophobicContact CG2-CD1 3.83Å; T292-L296 HydrophobicContact CG2-CG 4.03Å; T292-L296 WeakPolarHBondContact O-CB 3.37Å; T292-L296 WeakPolarHBondContact O-CG 3.49Å; T292-L296 PolarHBondContact O-N 3.3Å
293	P	88.7	Confident	81.9	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.019	35%	0.346	C	S	.	.	H	α-helix	trans	-57.8	-41.8	178.5	-23.5	35.3	0	0	0	112.9	I86 R89 F92 L290 L296 M297	I86-P293 HydrophobicContact CG2-CG 4.15Å; R89-P293 VanDerWaalsContact O-CB 3.26Å; R89-P293 WeakPolarHBondContact O-CB 3.19Å; F92-P293 HydrophobicContact CB-CG 3.75Å; L290-P293 VanDerWaalsContact O-CD 3.28Å; L290-P293 WeakPolarHBondContact O-CD 3.33Å; P293-L296 PolarHBondContact O-N 3.23Å; P293-M297 WeakPolarHBondContact O-CB 3.32Å; P293-M297 VanDerWaalsContact O-CG 3.31Å; P293-M297 WeakPolarHBondContact O-CG 3.44Å; P293-M297 PolarHBondContact O-N 3.36Å
294	D	86.6	Confident	80.6	Confident	81 Å²	81	64.2 Å²	64.2	43%	0.433	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-42.1	178	-64.5	-37.8	0	0	0	112.3	K291 T292 M297 R298	K291-D294 WeakPolarHBondContact O-CB 3.48Å; K291-D294 PolarHBondContact O-N 3.36Å; T292-D294 VanDerWaalsContact C-N 3.3Å; T292-D294 PolarHBondContact O-N 3.41Å; D294-M297 PolarHBondContact O-N 3.28Å; D294-M297 WeakPolarHBondContact OD1-CE 3.42Å; D294-R298 VanDerWaalsContact O-CG 3.32Å; D294-R298 WeakPolarHBondContact O-CG 3.17Å; D294-R298 PolarHBondContact O-N 3.42Å
295	V	86.2	Confident	79.8	Confident	26 Å²	26	62.9 Å²	62.9	16%	0.158	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-42.6	177	175.9	0	0	0	0	110.5	G203 K291 T292 M297 R298 N299	G203-V295 WeakPolarHBondContact O-CG1 3.47Å; K291-V295 HydrophobicContact CB-CG2 4.37Å; K291-V295 WeakPolarHBondContact O-CG2 3.46Å; K291-V295 PolarHBondContact O-N 2.82Å; T292-V295 PolarHBondContact O-N 2.65Å; V295-M297 VanDerWaalsContact C-N 3.33Å; V295-M297 PolarHBondContact O-N 3.22Å; V295-R298 PolarHBondContact O-N 2.99Å; V295-N299 WeakPolarHBondContact O-CB 3.09Å; V295-N299 PolarHBondContact O-N 3.14Å; V295-N299 PolarHBondContact O-ND2 3.47Å
296	L	84	Confident	78.5	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-68.6	-27.9	175.2	-66.4	-177.7	0	0	0	113	I86 Q87 T292 P293 N299 L305	I86-L296 HydrophobicContact CB-CD1 4.03Å; I86-L296 HydrophobicContact CG2-CD1 3.82Å; Q87-L296 HydrophobicContact CB-CB 4.01Å; Q87-L296 HydrophobicContact CB-CD1 4.22Å; Q87-L296 HydrophobicContact CG-CB 3.94Å; Q87-L296 PolarHBondContact NE2-O 3.01Å; T292-L296 HydrophobicContact CG2-CD1 3.83Å; T292-L296 HydrophobicContact CG2-CG 4.03Å; T292-L296 WeakPolarHBondContact O-CB 3.37Å; T292-L296 WeakPolarHBondContact O-CG 3.49Å; T292-L296 PolarHBondContact O-N 3.3Å; P293-L296 PolarHBondContact O-N 3.23Å; L296-N299 CarbonylContact O-C 3.45Å; L296-L305 HydrophobicContact CD2-CD1 3.05Å
297	M	76.9	Confident	77.3	Confident	98 Å²	98	63.4 Å²	63.4	48%	0.483	31%	0.306	S	S	.	.	H	α-helix	trans	-75.5	-41	174	-78.6	-167.7	-65.4	0	0	111.6	Q87 P293 D294 V295	Q87-M297 HydrophobicContact CG-CG 4.19Å; P293-M297 WeakPolarHBondContact O-CB 3.32Å; P293-M297 VanDerWaalsContact O-CG 3.31Å; P293-M297 WeakPolarHBondContact O-CG 3.44Å; P293-M297 PolarHBondContact O-N 3.36Å; D294-M297 PolarHBondContact O-N 3.28Å; D294-M297 WeakPolarHBondContact OD1-CE 3.42Å; V295-M297 VanDerWaalsContact C-N 3.33Å; V295-M297 PolarHBondContact O-N 3.22Å
298	R	70.1	Confident	76	Confident	207 Å²	207	59.2 Å²	59.2	78%	0.781	29%	0.285	S	S	*	.	H	α-helix	trans	-67.1	-41.7	178.2	-72	175.7	-171.3	-178.8	4.4	112.2	D294 V295 E300	D294-R298 VanDerWaalsContact O-CG 3.32Å; D294-R298 WeakPolarHBondContact O-CG 3.17Å; D294-R298 PolarHBondContact O-N 3.42Å; V295-R298 PolarHBondContact O-N 2.99Å; R298-E300 VanDerWaalsContact C-N 3.33Å; R298-E300 PolarHBondContact O-N 3.06Å; R298-E300 VanDerWaalsContact O-N 3.17Å
299	N	64.2	Low	74.7	Confident	79 Å²	79	57.9 Å²	57.9	42%	0.422	28%	0.278	S	S	.	.	S	Bend	trans	-81.6	85.1	168.3	-63.5	-29	0	0	0	106.2	V295 L296 S301	V295-N299 WeakPolarHBondContact O-CB 3.09Å; V295-N299 PolarHBondContact O-N 3.14Å; V295-N299 PolarHBondContact O-ND2 3.47Å; L296-N299 CarbonylContact O-C 3.45Å; N299-S301 CarbonylContact O-C 3.57Å; N299-S301 PolarHBondContact O-N 2.84Å
300	E	54.7	Low	73.5	Confident	176 Å²	176	55.7 Å²	55.7	82%	0.822	26%	0.26	S	S	*	.	S	Bend	trans	-48.7	-0.2	-176.3	-76.1	-167.5	152.3	0	0	116.1	R298	R298-E300 VanDerWaalsContact C-N 3.33Å; R298-E300 PolarHBondContact O-N 3.06Å; R298-E300 VanDerWaalsContact O-N 3.17Å
301	S	58.2	Low	72.3	Confident	30 Å²	30	57.5 Å²	57.5	21%	0.21	27%	0.269	C	S	.	.			trans	-126.3	82.8	-176.7	-39.5	0	0	0	0	110.2	N299 R303 D304 L305	N299-S301 CarbonylContact O-C 3.57Å; N299-S301 PolarHBondContact O-N 2.84Å; S301-R303 PolarHBondContact O-N 2.9Å; S301-D304 VanDerWaalsContact CB-CB 3.44Å; S301-D304 VanDerWaalsContact CB-N 3.27Å; S301-D304 VanDerWaalsContact CB-OD1 3.31Å; S301-D304 WeakPolarHBondContact CB-OD1 3.46Å; S301-D304 WeakPolarHBondContact CB-OD2 3.37Å; S301-D304 PolarHBondContact O-N 3.23Å; S301-D304 PolarHBondContact OG-OD1 3.13Å; S301-D304 PolarHBondContact OG-OD2 3.31Å; S301-L305 PolarHBondContact O-N 3.17Å
302	A	60.2	Low	71.2	Confident	3 Å²	3	52.8 Å²	52.8	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-49.6	-26	149	0	0	0	0	0	110.4	L83 Q84 N306	L83-A302 HydrophobicContact CB-CB 4.27Å; Q84-A302 HydrophobicContact CG-CB 4.28Å; A302-N306 WeakPolarHBondContact O-CB 3.47Å; A302-N306 PolarHBondContact O-N 2.7Å; A302-N306 PolarHBondContact O-ND2 3.45Å; A302-N306 PolarHBondContact O-OD1 3.37Å
303	R	63.8	Low	70.2	Confident	139 Å²	139	53.1 Å²	53.1	53%	0.525	25%	0.251	S	S	.	.	H	α-helix	trans	-60.2	-44.4	167.1	-63.2	-174.6	-173	171.4	8.2	114.2	S301 L305 N306 Q307	S301-R303 PolarHBondContact O-N 2.9Å; R303-L305 VanDerWaalsContact C-N 3.3Å; R303-L305 PolarHBondContact O-N 3.41Å; R303-N306 PolarHBondContact O-N 3.24Å; R303-Q307 WeakPolarHBondContact O-CB 3.18Å; R303-Q307 PolarHBondContact O-N 3.19Å
304	D	65.9	Low	69.3	Low	50 Å²	50	56.5 Å²	56.5	27%	0.267	27%	0.271	S	S	.	.	H	α-helix	trans	-68.6	-38	-179.6	-64.7	-13.7	0	0	0	109.2	S301 Q307 L308	S301-D304 VanDerWaalsContact CB-CB 3.44Å; S301-D304 VanDerWaalsContact CB-N 3.27Å; S301-D304 VanDerWaalsContact CB-OD1 3.31Å; S301-D304 WeakPolarHBondContact CB-OD1 3.46Å; S301-D304 WeakPolarHBondContact CB-OD2 3.37Å; S301-D304 PolarHBondContact O-N 3.23Å; S301-D304 PolarHBondContact OG-OD1 3.13Å; S301-D304 PolarHBondContact OG-OD2 3.31Å; D304-Q307 PolarHBondContact O-N 3.2Å; D304-L308 VanDerWaalsContact O-CB 3.3Å; D304-L308 WeakPolarHBondContact O-CB 3.24Å; D304-L308 WeakPolarHBondContact O-CG 3.4Å; D304-L308 PolarHBondContact O-N 3.26Å
305	L	67.5	Low	68.3	Low	8 Å²	8	53.1 Å²	53.1	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-39.4	174.4	-71.8	173.2	0	0	0	112.9	L83 M199 G203 P205 L296 S301 R303 A309	L83-L305 HydrophobicContact CD1-CB 3.94Å; M199-L305 HydrophobicContact CE-CB 3.67Å; M199-L305 HydrophobicContact CE-CD2 4.13Å; M199-L305 HydrophobicContact CE-CG 4.38Å; M199-L305 WeakPolarHBondContact CE-O 3.29Å; G203-L305 WeakPolarHBondContact O-CD1 3.33Å; P205-L305 HydrophobicContact CG-CD2 4.5Å; L296-L305 HydrophobicContact CD2-CD1 3.05Å; S301-L305 PolarHBondContact O-N 3.17Å; R303-L305 VanDerWaalsContact C-N 3.3Å; R303-L305 PolarHBondContact O-N 3.41Å; L305-A309 VanDerWaalsContact O-CB 3.31Å; L305-A309 WeakPolarHBondContact O-CB 3.49Å; L305-A309 PolarHBondContact O-N 3.09Å
306	N	68.7	Low	67.4	Low	1 Å²	1	52 Å²	52	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-45.3	172	-73.4	-19.5	0	0	0	111.2	L83 E124 A302 R303 A309 E310	L83-N306 WeakPolarHBondContact CD1-OD1 3.49Å; E124-N306 HydrophobicContact CG-CB 3.64Å; E124-N306 VanDerWaalsContact CG-CG 3.42Å; E124-N306 WeakPolarHBondContact CG-ND2 3.45Å; E124-N306 WeakPolarHBondContact OE1-CB 3.42Å; E124-N306 PolarHBondContact OE1-ND2 2.78Å; A302-N306 WeakPolarHBondContact O-CB 3.47Å; A302-N306 PolarHBondContact O-N 2.7Å; A302-N306 PolarHBondContact O-ND2 3.45Å; A302-N306 PolarHBondContact O-OD1 3.37Å; R303-N306 PolarHBondContact O-N 3.24Å; N306-A309 CarbonylContact O-C 3.6Å; N306-A309 WeakPolarHBondContact O-CB 3.32Å; N306-A309 PolarHBondContact O-N 3.31Å; N306-A309 VanDerWaalsContact O-N 3.16Å; N306-E310 WeakPolarHBondContact O-CG 3.32Å; N306-E310 PolarHBondContact O-N 3.12Å
307	Q	69.8	Low	66.5	Low	74 Å²	74	55.7 Å²	55.7	35%	0.346	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-43.2	178.4	-169.1	61.6	67.1	0	0	111.3	R303 D304 A309 E310 D311	R303-Q307 WeakPolarHBondContact O-CB 3.18Å; R303-Q307 PolarHBondContact O-N 3.19Å; D304-Q307 PolarHBondContact O-N 3.2Å; Q307-A309 VanDerWaalsContact C-N 3.3Å; Q307-A309 PolarHBondContact O-N 3.22Å; Q307-E310 PolarHBondContact NE2-OE2 3.26Å; Q307-E310 WeakPolarHBondContact O-CA 3.37Å; Q307-E310 WeakPolarHBondContact O-CB 3.44Å; Q307-E310 PolarHBondContact O-N 3.33Å; Q307-E310 VanDerWaalsContact O-N 3.1Å; Q307-E310 PolarHBondContact OE1-OE2 3.12Å; Q307-D311 PolarHBondContact NE2-OD1 2.88Å; Q307-D311 PolarHBondContact O-N 2.65Å
308	L	67.4	Low	66	Low	30 Å²	30	54.3 Å²	54.3	16%	0.157	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-39.4	173.7	-73.4	170	0	0	0	111.4	P205 D304 E310 D311 F312	P205-L308 HydrophobicContact CG-CD1 4.32Å; D304-L308 VanDerWaalsContact O-CB 3.3Å; D304-L308 WeakPolarHBondContact O-CB 3.24Å; D304-L308 WeakPolarHBondContact O-CG 3.4Å; D304-L308 PolarHBondContact O-N 3.26Å; L308-E310 VanDerWaalsContact C-N 3.34Å; L308-D311 PolarHBondContact O-N 3.09Å; L308-F312 WeakPolarHBondContact O-CB 3.11Å; L308-F312 PolarHBondContact O-N 3.04Å
309	A	68	Low	65.6	Low	4 Å²	4	44.8 Å²	44.8	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-66.2	-35.5	173.7	0	0	0	0	0	111.9	P123 M199 L305 N306 Q307 F312 V313	P123-A309 HydrophobicContact CG-CB 4.35Å; M199-A309 HydrophobicContact CE-CB 4.38Å; M199-A309 HydrophobicContact SD-CB 4.23Å; L305-A309 VanDerWaalsContact O-CB 3.31Å; L305-A309 WeakPolarHBondContact O-CB 3.49Å; L305-A309 PolarHBondContact O-N 3.09Å; N306-A309 CarbonylContact O-C 3.6Å; N306-A309 WeakPolarHBondContact O-CB 3.32Å; N306-A309 PolarHBondContact O-N 3.31Å; N306-A309 VanDerWaalsContact O-N 3.16Å; Q307-A309 VanDerWaalsContact C-N 3.3Å; Q307-A309 PolarHBondContact O-N 3.22Å; A309-F312 WeakPolarHBondContact O-CB 3.33Å; A309-F312 PolarHBondContact O-N 2.93Å; A309-V313 VanDerWaalsContact O-CG2 3.25Å; A309-V313 WeakPolarHBondContact O-CG2 3.35Å; A309-V313 PolarHBondContact O-N 3.13Å
310	E	70.3	Confident	65.4	Low	44 Å²	44	42.1 Å²	42.1	21%	0.206	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-51.8	172.5	-71.8	-174.1	160.8	0	0	111.7	K122 N306 Q307 L308 F312 V313 V314	K122-E310 HydrophobicContact CD-CG 3.72Å; K122-E310 IonicContact NZ-OE1 3.75Å; K122-E310 PolarHBondContact NZ-OE1 2.6Å; N306-E310 WeakPolarHBondContact O-CG 3.32Å; N306-E310 PolarHBondContact O-N 3.12Å; Q307-E310 PolarHBondContact NE2-OE2 3.26Å; Q307-E310 WeakPolarHBondContact O-CA 3.37Å; Q307-E310 WeakPolarHBondContact O-CB 3.44Å; Q307-E310 PolarHBondContact O-N 3.33Å; Q307-E310 VanDerWaalsContact O-N 3.1Å; Q307-E310 PolarHBondContact OE1-OE2 3.12Å; L308-E310 VanDerWaalsContact C-N 3.34Å; E310-F312 PolarHBondContact O-N 3.24Å; E310-V313 PolarHBondContact O-N 2.79Å; E310-V314 WeakPolarHBondContact O-CG2 3.48Å; E310-V314 PolarHBondContact O-N 3.33Å
311	D	68.1	Low	65.7	Low	51 Å²	51	37 Å²	37	27%	0.273	19%	0.189	S	C	.	.	H	α-helix	trans	-58.2	-38.8	178.6	-64.3	-15.4	0	0	0	110.2	L231 Q307 L308 V314 A315	L231-D311 HydrophobicContact CD2-CB 4.42Å; Q307-D311 PolarHBondContact NE2-OD1 2.88Å; Q307-D311 PolarHBondContact O-N 2.65Å; L308-D311 PolarHBondContact O-N 3.09Å; D311-V314 PolarHBondContact O-N 3.1Å; D311-A315 WeakPolarHBondContact O-CB 3.49Å; D311-A315 PolarHBondContact O-N 3.48Å
312	F	68.4	Low	65.7	Low	4 Å²	4	38.9 Å²	38.9	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-47.2	174.4	-177.5	-90.1	0	0	0	112.7	W191 V195 F207 L231 I235 L308 A309 E310 V314 A315 N316	W191-F312 AromaticContact CD1-CE1 3.5Å; W191-F312 VanDerWaalsContact CD1-CE1 3.5Å; W191-F312 AromaticContact CD1-CZ 3.95Å; W191-F312 AromaticContact CE2-CE1 3.99Å; W191-F312 AromaticContact CE2-CZ 3.59Å; W191-F312 AromaticContact CZ2-CZ 3.74Å; W191-F312 HydrophobicContact CZ2-CZ 3.74Å; W191-F312 AromaticContact NE1-CE1 2.92Å; W191-F312 AromaticContact NE1-CZ 2.95Å; V195-F312 HydrophobicContact CB-CD1 4.47Å; V195-F312 HydrophobicContact CB-CE1 4.06Å; V195-F312 HydrophobicContact CG1-CD1 4.27Å; V195-F312 HydrophobicContact CG1-CE1 4.29Å; V195-F312 HydrophobicContact CG2-CD1 3.95Å; V195-F312 HydrophobicContact CG2-CE1 3.15Å; V195-F312 HydrophobicContact CG2-CE2 4.26Å; V195-F312 HydrophobicContact CG2-CZ 3.34Å; F207-F312 HydrophobicContact CB-CD2 4.27Å; F207-F312 HydrophobicContact CB-CE2 3.91Å; F207-F312 HydrophobicContact CD2-CD2 4.12Å; F207-F312 AromaticContact CD2-CE2 3.1Å; F207-F312 HydrophobicContact CD2-CE2 3.1Å; F207-F312 AromaticContact CD2-CZ 3.57Å; F207-F312 HydrophobicContact CD2-CZ 3.57Å; F207-F312 AromaticContact CE2-CE2 3.71Å; F207-F312 HydrophobicContact CE2-CE2 3.71Å; F207-F312 AromaticContact CE2-CZ 3.69Å; F207-F312 HydrophobicContact CE2-CZ 3.69Å; F207-F312 AromaticContact CG-CE2 3.74Å; F207-F312 HydrophobicContact CG-CE2 3.74Å; L231-F312 HydrophobicContact CD1-CD2 4.37Å; I235-F312 HydrophobicContact CD1-CD2 3.41Å; I235-F312 VanDerWaalsContact CD1-CD2 3.41Å; I235-F312 HydrophobicContact CD1-CE2 3.59Å; I235-F312 HydrophobicContact CD1-CG 4.21Å; I235-F312 HydrophobicContact CG1-CD2 3.7Å; I235-F312 HydrophobicContact CG1-CE2 3.33Å; I235-F312 HydrophobicContact CG1-CZ 4.22Å; L308-F312 WeakPolarHBondContact O-CB 3.11Å; L308-F312 PolarHBondContact O-N 3.04Å; A309-F312 WeakPolarHBondContact O-CB 3.33Å; A309-F312 PolarHBondContact O-N 2.93Å; E310-F312 PolarHBondContact O-N 3.24Å; F312-V314 VanDerWaalsContact C-N 3.31Å; F312-V314 PolarHBondContact O-N 3.48Å; F312-A315 PolarHBondContact O-N 3.37Å; F312-N316 WeakPolarHBondContact O-CB 3.44Å; F312-N316 PolarHBondContact O-N 2.91Å
313	V	67	Low	65.6	Low	7 Å²	7	41.2 Å²	41.2	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-40.9	177	168.7	0	0	0	0	110.6	A309 E310 R317	A309-V313 VanDerWaalsContact O-CG2 3.25Å; A309-V313 WeakPolarHBondContact O-CG2 3.35Å; A309-V313 PolarHBondContact O-N 3.13Å; E310-V313 PolarHBondContact O-N 2.79Å; V313-R317 WeakPolarHBondContact O-CG 3.34Å; V313-R317 PolarHBondContact O-N 3.2Å
314	V	69	Low	65.2	Low	73 Å²	73	36.7 Å²	36.7	44%	0.442	20%	0.201	S	C	.	.	H	α-helix	trans	-64.4	-50.9	175.8	172.8	0	0	0	0	110.9	E310 D311 F312 N316 R317 I318	E310-V314 WeakPolarHBondContact O-CG2 3.48Å; E310-V314 PolarHBondContact O-N 3.33Å; D311-V314 PolarHBondContact O-N 3.1Å; F312-V314 VanDerWaalsContact C-N 3.31Å; F312-V314 PolarHBondContact O-N 3.48Å; V314-N316 VanDerWaalsContact C-N 3.29Å; V314-N316 PolarHBondContact O-N 3.12Å; V314-R317 WeakPolarHBondContact O-CB 3.36Å; V314-R317 PolarHBondContact O-N 3.31Å; V314-I318 HydrophobicContact CG1-CD1 3.88Å; V314-I318 WeakPolarHBondContact O-CG1 3.41Å; V314-I318 PolarHBondContact O-N 3.36Å
315	A	66.2	Low	64.7	Low	10 Å²	10	39.2 Å²	39.2	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-57.8	-43.2	177.8	0	0	0	0	0	111.5	F232 I235 D311 F312 I318 A319	F232-A315 HydrophobicContact CD2-CB 4.02Å; F232-A315 WeakPolarHBondContact CE2-O 3.46Å; I235-A315 HydrophobicContact CD1-CB 3.56Å; D311-A315 WeakPolarHBondContact O-CB 3.49Å; D311-A315 PolarHBondContact O-N 3.48Å; F312-A315 PolarHBondContact O-N 3.37Å; A315-I318 PolarHBondContact O-N 3.17Å; A315-A319 WeakPolarHBondContact O-CB 3.37Å; A315-A319 PolarHBondContact O-N 3.48Å
316	N	66.3	Low	64.2	Low	3 Å²	3	45.7 Å²	45.7	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-43.6	177.5	-169	47.9	0	0	0	111.6	W191 F312 V314 I318 F320	W191-N316 PolarHBondContact NE1-ND2 2.92Å; W191-N316 PolarHBondContact NE1-OD1 3.47Å; F312-N316 WeakPolarHBondContact O-CB 3.44Å; F312-N316 PolarHBondContact O-N 2.91Å; V314-N316 VanDerWaalsContact C-N 3.29Å; V314-N316 PolarHBondContact O-N 3.12Å; N316-I318 VanDerWaalsContact C-N 3.34Å; N316-I318 PolarHBondContact O-N 3.3Å; N316-F320 WeakPolarHBondContact ND2-CE2 3.1Å; N316-F320 WeakPolarHBondContact O-CB 3.46Å; N316-F320 WeakPolarHBondContact O-CD2 3.49Å; N316-F320 WeakPolarHBondContact O-CG 3.35Å; N316-F320 PolarHBondContact O-N 2.82Å; N316-F320 WeakPolarHBondContact OD1-CD2 3.49Å; N316-F320 WeakPolarHBondContact OD1-CE2 3.3Å; N316-F320 VanDerWaalsContact OD1-CZ 3.28Å; N316-F320 WeakPolarHBondContact OD1-CZ 3.29Å
317	R	66.3	Low	63.8	Low	78 Å²	78	50.2 Å²	50.2	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-41	174	-73.2	-179.7	-166.7	160.9	12.6	112.3	R119 D120 L144 V313 V314 S321	R119-R317 VanDerWaalsContact O-CZ 3.27Å; R119-R317 PolarHBondContact O-NE 3.19Å; R119-R317 VanDerWaalsContact O-NE 3.1Å; R119-R317 PolarHBondContact O-NH2 2.85Å; D120-R317 VanDerWaalsContact CA-NH2 3.26Å; D120-R317 VanDerWaalsContact CB-NH2 3.35Å; D120-R317 IonicContact OD1-CZ 3.23Å; D120-R317 IonicContact OD1-NH2 2.66Å; D120-R317 PolarHBondContact OD1-NH2 3.02Å; L144-R317 VanDerWaalsContact CD1-NH1 3.31Å; V313-R317 WeakPolarHBondContact O-CG 3.34Å; V313-R317 PolarHBondContact O-N 3.2Å; V314-R317 WeakPolarHBondContact O-CB 3.36Å; V314-R317 PolarHBondContact O-N 3.31Å; R317-S321 WeakPolarHBondContact O-CB 3.48Å; R317-S321 PolarHBondContact O-N 3.26Å
318	I	66.8	Low	63	Low	69 Å²	69	53.3 Å²	53.3	35%	0.354	27%	0.271	S	S	.	.	H	α-helix	trans	-66.5	-52.5	178.4	-65.4	167	0	0	0	110.3	F232 V314 A315 N316 F320 S321 E322	F232-I318 HydrophobicContact CE2-CB 4.1Å; F232-I318 HydrophobicContact CE2-CG2 3.92Å; F232-I318 HydrophobicContact CZ-CG2 4.14Å; V314-I318 HydrophobicContact CG1-CD1 3.88Å; V314-I318 WeakPolarHBondContact O-CG1 3.41Å; V314-I318 PolarHBondContact O-N 3.36Å; A315-I318 PolarHBondContact O-N 3.17Å; N316-I318 VanDerWaalsContact C-N 3.34Å; N316-I318 PolarHBondContact O-N 3.3Å; I318-F320 PolarHBondContact O-N 3.14Å; I318-S321 WeakPolarHBondContact O-CB 3.37Å; I318-S321 PolarHBondContact O-N 3.26Å; I318-E322 PolarHBondContact O-N 3.09Å
319	A	60.5	Low	62.5	Low	8 Å²	8	60.5 Å²	60.5	7%	0.066	30%	0.295	C	S	.	.	H	α-helix	trans	-55.2	-38.5	178.7	0	0	0	0	0	111.7	F232 Q236 A315 S323	F232-A319 HydrophobicContact CD2-CB 4.37Å; F232-A319 HydrophobicContact CE2-CB 3.55Å; F232-A319 HydrophobicContact CZ-CB 3.71Å; Q236-A319 HydrophobicContact CG-CB 3.89Å; A315-A319 WeakPolarHBondContact O-CB 3.37Å; A315-A319 PolarHBondContact O-N 3.48Å; A319-S323 WeakPolarHBondContact O-CB 3.44Å; A319-S323 PolarHBondContact O-N 3.19Å
320	F	60.5	Low	61.9	Low	22 Å²	22	63 Å²	63	10%	0.096	31%	0.313	C	S	.	.	H	α-helix	trans	-74.9	-36.5	177.5	-76.9	-36	0	0	0	113.8	Y184 N316 I318 E322 S323 C324	Y184-F320 HydrophobicContact CE1-CB 3.82Å; Y184-F320 HydrophobicContact CE1-CD1 4.33Å; Y184-F320 HydrophobicContact CE1-CG 4.04Å; Y184-F320 AromaticContact CZ-CD1 3.74Å; Y184-F320 AromaticContact CZ-CG 3.93Å; Y184-F320 VanDerWaalsContact OH-CB 3.29Å; Y184-F320 WeakPolarHBondContact OH-CB 3.39Å; Y184-F320 WeakPolarHBondContact OH-CD1 3.32Å; Y184-F320 VanDerWaalsContact OH-CG 3.25Å; Y184-F320 WeakPolarHBondContact OH-CG 3.34Å; N316-F320 WeakPolarHBondContact ND2-CE2 3.1Å; N316-F320 WeakPolarHBondContact O-CB 3.46Å; N316-F320 WeakPolarHBondContact O-CD2 3.49Å; N316-F320 WeakPolarHBondContact O-CG 3.35Å; N316-F320 PolarHBondContact O-N 2.82Å; N316-F320 WeakPolarHBondContact OD1-CD2 3.49Å; N316-F320 WeakPolarHBondContact OD1-CE2 3.3Å; N316-F320 VanDerWaalsContact OD1-CZ 3.28Å; N316-F320 WeakPolarHBondContact OD1-CZ 3.29Å; I318-F320 PolarHBondContact O-N 3.14Å; F320-E322 VanDerWaalsContact C-N 3.34Å; F320-S323 PolarHBondContact O-N 3.37Å; F320-C324 PolarHBondContact O-N 2.87Å
321	S	60.5	Low	61.3	Low	68 Å²	68	64.5 Å²	64.5	48%	0.476	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-46.2	172.1	-169.7	0	0	0	0	111	R317 I318 C324 E325	R317-S321 WeakPolarHBondContact O-CB 3.48Å; R317-S321 PolarHBondContact O-N 3.26Å; I318-S321 WeakPolarHBondContact O-CB 3.37Å; I318-S321 PolarHBondContact O-N 3.26Å; S321-C324 PolarHBondContact O-N 3.4Å; S321-E325 PolarHBondContact O-N 3.31Å
322	E	58.8	Low	60.5	Low	70 Å²	70	67.2 Å²	67.2	33%	0.327	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-43.5	178.4	-68.7	-179.2	163.7	0	0	112.4	F232 I318 F320 C324 E325 M326	F232-E322 WeakPolarHBondContact CZ-OE2 3.43Å; I318-E322 PolarHBondContact O-N 3.09Å; F320-E322 VanDerWaalsContact C-N 3.34Å; E322-C324 VanDerWaalsContact C-N 3.31Å; E322-C324 PolarHBondContact O-N 3.46Å; E322-E325 PolarHBondContact O-N 3.04Å; E322-M326 WeakPolarHBondContact O-CB 3.26Å; E322-M326 PolarHBondContact O-N 3.25Å
323	S	57	Low	60	Low	53 Å²	53	71 Å²	71	37%	0.371	37%	0.366	S	S	.	.	H	α-helix	trans	-59.7	-41	176.6	-175.7	0	0	0	0	112.1	A319 F320 M326 K327	A319-S323 WeakPolarHBondContact O-CB 3.44Å; A319-S323 PolarHBondContact O-N 3.19Å; F320-S323 PolarHBondContact O-N 3.37Å; S323-M326 PolarHBondContact O-N 3.32Å; S323-K327 PolarHBondContact O-N 2.95Å
324	C	56.6	Low	59.3	Low	44 Å²	44	74.4 Å²	74.4	30%	0.297	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-43.3	175	-81.3	0	0	0	0	112.7	F320 S321 E322 M326 K327 R328	F320-C324 PolarHBondContact O-N 2.87Å; S321-C324 PolarHBondContact O-N 3.4Å; E322-C324 VanDerWaalsContact C-N 3.31Å; E322-C324 PolarHBondContact O-N 3.46Å; C324-M326 VanDerWaalsContact C-N 3.29Å; C324-M326 PolarHBondContact O-N 3.27Å; C324-K327 PolarHBondContact O-N 2.76Å; C324-R328 WeakPolarHBondContact O-CB 3.05Å; C324-R328 WeakPolarHBondContact O-CG 3.28Å; C324-R328 PolarHBondContact O-N 2.77Å
325	E	55.7	Low	58.2	Low	103 Å²	103	73.3 Å²	73.3	48%	0.481	38%	0.383	S	S	.	.	H	α-helix	trans	-63.5	-38.2	176.5	-72.9	-168.9	172.6	0	0	111.8	S321 E322 R328 R329	S321-E325 PolarHBondContact O-N 3.31Å; E322-E325 PolarHBondContact O-N 3.04Å; E325-R328 PolarHBondContact O-N 3.2Å; E325-R329 WeakPolarHBondContact O-CG 3.5Å; E325-R329 PolarHBondContact O-N 3.34Å
326	M	57	Low	57.4	Low	144 Å²	144	78.8 Å²	78.8	71%	0.709	41%	0.41	S	S	*	.	H	α-helix	trans	-68.3	-43.6	177.6	-163.6	163.6	-82.2	0	0	112.1	E322 S323 C324 R328 R329 S330	E322-M326 WeakPolarHBondContact O-CB 3.26Å; E322-M326 PolarHBondContact O-N 3.25Å; S323-M326 PolarHBondContact O-N 3.32Å; C324-M326 VanDerWaalsContact C-N 3.29Å; C324-M326 PolarHBondContact O-N 3.27Å; M326-R328 VanDerWaalsContact C-N 3.35Å; M326-R328 PolarHBondContact O-N 3.38Å; M326-R329 PolarHBondContact O-N 2.92Å; M326-S330 WeakPolarHBondContact O-CB 3.47Å; M326-S330 PolarHBondContact O-N 2.78Å
327	K	58.7	Low	56.8	Low	95 Å²	95	83 Å²	83	41%	0.413	44%	0.439	S	S	.	.	H	α-helix	trans	-58.6	-44.5	172.1	-79.3	-170.3	177.3	-173.6	0	111.3	E267 S323 C324 S330 S331	E267-K327 IonicContact OE1-NZ 2.77Å; E267-K327 PolarHBondContact OE1-NZ 3.07Å; S323-K327 PolarHBondContact O-N 2.95Å; C324-K327 PolarHBondContact O-N 2.76Å; K327-S330 WeakPolarHBondContact O-CB 3.09Å; K327-S330 PolarHBondContact O-N 3.45Å; K327-S331 PolarHBondContact O-N 3.34Å; K327-S331 PolarHBondContact O-OG 3.12Å
328	R	54.4	Low	56	Low	140 Å²	140	88.9 Å²	88.9	53%	0.528	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-44.8	177	-80.4	175	168.4	-155.5	-18	112.7	C324 E325 M326 S330 S331 L332	C324-R328 WeakPolarHBondContact O-CB 3.05Å; C324-R328 WeakPolarHBondContact O-CG 3.28Å; C324-R328 PolarHBondContact O-N 2.77Å; E325-R328 PolarHBondContact O-N 3.2Å; M326-R328 VanDerWaalsContact C-N 3.35Å; M326-R328 PolarHBondContact O-N 3.38Å; R328-S330 VanDerWaalsContact C-N 3.35Å; R328-S331 PolarHBondContact O-N 3.25Å; R328-L332 WeakPolarHBondContact O-CB 3.2Å; R328-L332 WeakPolarHBondContact O-CD1 3.29Å; R328-L332 WeakPolarHBondContact O-CG 3.13Å; R328-L332 PolarHBondContact O-N 2.86Å
329	R	55.8	Low	54.8	Low	180 Å²	180	90.4 Å²	90.4	68%	0.679	47%	0.47	S	S	*	.	H	α-helix	trans	-60.1	-45.9	175.7	-80.9	-179.1	168.5	171.2	-1	110.9	E325 M326 S331 L332 T333	E325-R329 WeakPolarHBondContact O-CG 3.5Å; E325-R329 PolarHBondContact O-N 3.34Å; M326-R329 PolarHBondContact O-N 2.92Å; R329-S331 PolarHBondContact O-N 3.21Å; R329-L332 PolarHBondContact O-N 3.24Å; R329-T333 WeakPolarHBondContact O-CG2 3.26Å; R329-T333 PolarHBondContact O-N 3.34Å; R329-T333 PolarHBondContact O-OG1 3.17Å
330	S	56.7	Low	53.6	Low	57 Å²	57	102 Å²	102	40%	0.399	51%	0.512	S	S	.	.	H	α-helix	trans	-58	-47	174.9	142.4	0	0	0	0	112.4	M326 K327 R328 T333 N334	M326-S330 WeakPolarHBondContact O-CB 3.47Å; M326-S330 PolarHBondContact O-N 2.78Å; K327-S330 WeakPolarHBondContact O-CB 3.09Å; K327-S330 PolarHBondContact O-N 3.45Å; R328-S330 VanDerWaalsContact C-N 3.35Å; S330-T333 WeakPolarHBondContact CA-OG1 3.28Å; S330-T333 PolarHBondContact O-N 3.39Å; S330-T333 PolarHBondContact O-OG1 3.31Å; S330-N334 WeakPolarHBondContact O-CB 3.32Å; S330-N334 VanDerWaalsContact O-CG 3.27Å; S330-N334 PolarHBondContact O-N 3.26Å; S330-N334 PolarHBondContact O-ND2 3.21Å
331	S	56.1	Low	52.3	Low	76 Å²	76	107.2 Å²	107.2	53%	0.531	54%	0.54	S	S	.	.	H	α-helix	trans	-67.2	-38.5	178.9	-62.8	0	0	0	0	112.1	K327 R328 R329 N334 A335	K327-S331 PolarHBondContact O-N 3.34Å; K327-S331 PolarHBondContact O-OG 3.12Å; R328-S331 PolarHBondContact O-N 3.25Å; R329-S331 PolarHBondContact O-N 3.21Å; S331-N334 PolarHBondContact O-N 3.09Å; S331-A335 WeakPolarHBondContact O-CB 3.5Å; S331-A335 PolarHBondContact O-N 3.23Å
332	L	52.6	Low	51	Low	107 Å²	107	109 Å²	109	56%	0.56	55%	0.55	S	S	*	*	H	α-helix	trans	-64.5	-44.9	173	-85.4	153.9	0	0	0	111.5	R328 R329 N334 A335 L336	R328-L332 WeakPolarHBondContact O-CB 3.2Å; R328-L332 WeakPolarHBondContact O-CD1 3.29Å; R328-L332 WeakPolarHBondContact O-CG 3.13Å; R328-L332 PolarHBondContact O-N 2.86Å; R329-L332 PolarHBondContact O-N 3.24Å; L332-N334 VanDerWaalsContact C-N 3.34Å; L332-N334 PolarHBondContact O-N 3.28Å; L332-A335 PolarHBondContact O-N 3.07Å; L332-L336 VanDerWaalsContact O-CB 3.24Å; L332-L336 WeakPolarHBondContact O-CB 3.49Å; L332-L336 WeakPolarHBondContact O-CD1 3.34Å; L332-L336 WeakPolarHBondContact O-CG 3.24Å; L332-L336 PolarHBondContact O-N 3.24Å
333	T	57.1	Low	49.7	Very low	83 Å²	83	115 Å²	115	51%	0.509	58%	0.578	S	S	.	*	H	α-helix	trans	-64.8	-38.8	176.6	49.7	0	0	0	0	111.7	R329 S330 S337	R329-T333 WeakPolarHBondContact O-CG2 3.26Å; R329-T333 PolarHBondContact O-N 3.34Å; R329-T333 PolarHBondContact O-OG1 3.17Å; S330-T333 WeakPolarHBondContact CA-OG1 3.28Å; S330-T333 PolarHBondContact O-N 3.39Å; S330-T333 PolarHBondContact O-OG1 3.31Å; T333-S337 WeakPolarHBondContact O-CB 3.39Å; T333-S337 PolarHBondContact O-N 3.35Å; T333-S337 PolarHBondContact O-OG 3.04Å
334	N	52.7	Low	48.6	Very low	79 Å²	79	117.5 Å²	117.5	42%	0.422	59%	0.591	S	S	.	*	H	α-helix	trans	-68.8	-40.5	176	-75.3	-26.2	0	0	0	111.9	S330 S331 L332 S337 R338	S330-N334 WeakPolarHBondContact O-CB 3.32Å; S330-N334 VanDerWaalsContact O-CG 3.27Å; S330-N334 PolarHBondContact O-N 3.26Å; S330-N334 PolarHBondContact O-ND2 3.21Å; S331-N334 PolarHBondContact O-N 3.09Å; L332-N334 VanDerWaalsContact C-N 3.34Å; L332-N334 PolarHBondContact O-N 3.28Å; N334-S337 PolarHBondContact O-N 2.59Å; N334-S337 PolarHBondContact O-OG 3.32Å; N334-R338 PolarHBondContact O-N 3Å
335	A	47	Very low	47.4	Very low	51 Å²	51	123.9 Å²	123.9	42%	0.421	62%	0.616	S	S	.	*	H	α-helix	trans	-67.4	-40.4	175.9	0	0	0	0	0	112.3	S331 L332 S337 R338 N339	S331-A335 WeakPolarHBondContact O-CB 3.5Å; S331-A335 PolarHBondContact O-N 3.23Å; L332-A335 PolarHBondContact O-N 3.07Å; A335-S337 VanDerWaalsContact C-N 3.32Å; A335-S337 PolarHBondContact O-N 3.21Å; A335-R338 PolarHBondContact O-N 3.28Å; A335-N339 PolarHBondContact O-N 3.19Å; A335-N339 VanDerWaalsContact O-N 3.11Å
336	L	48.5	Very low	46.1	Very low	125 Å²	125	128.3 Å²	128.3	65%	0.654	63%	0.63	S	S	*	*	H	α-helix	trans	-67.4	-31.4	175.3	-72.2	166.4	0	0	0	112.1	L332	L332-L336 VanDerWaalsContact O-CB 3.24Å; L332-L336 WeakPolarHBondContact O-CB 3.49Å; L332-L336 WeakPolarHBondContact O-CD1 3.34Å; L332-L336 WeakPolarHBondContact O-CG 3.24Å; L332-L336 PolarHBondContact O-N 3.24Å
337	S	53	Low	44.9	Very low	90 Å²	90	126.8 Å²	126.8	63%	0.629	63%	0.63	S	S	*	*	H	α-helix	trans	-76.9	-22	176.3	74.2	0	0	0	0	114.2	T333 N334 A335	T333-S337 WeakPolarHBondContact O-CB 3.39Å; T333-S337 PolarHBondContact O-N 3.35Å; T333-S337 PolarHBondContact O-OG 3.04Å; N334-S337 PolarHBondContact O-N 2.59Å; N334-S337 PolarHBondContact O-OG 3.32Å; A335-S337 VanDerWaalsContact C-N 3.32Å; A335-S337 PolarHBondContact O-N 3.21Å
338	R	51.2	Low	43.5	Very low	203 Å²	203	128.7 Å²	128.7	77%	0.766	65%	0.65	S	S	*	*	H	α-helix	trans	-104.3	-20.6	-174.5	-72.5	-177.2	-174	172	2.6	114.9	N334 A335	N334-R338 PolarHBondContact O-N 3Å; A335-R338 PolarHBondContact O-N 3.28Å
339	N	40.1	Very low	42.4	Very low	100 Å²	100	128.4 Å²	128.4	54%	0.535	66%	0.663	S	S	.	*			trans	-109.6	107.4	179	-75.8	-20.4	0	0	0	112	A335 L341	A335-N339 PolarHBondContact O-N 3.19Å; A335-N339 VanDerWaalsContact O-N 3.11Å; N339-L341 HydrophobicContact CB-CD2 4.23Å; N339-L341 HydrophobicContact CB-CG 3.94Å; N339-L341 PolarHBondContact O-N 2.81Å
340	R	36.1	Very low	41.2	Very low	253 Å²	253	130.4 Å²	130.4	96%	0.955	67%	0.671	S	S	*	*			trans	-61.2	87.2	145.9	-71.7	-174.5	-164.9	-146.7	3	107
341	L	33.9	Very low	40	Very low	131 Å²	131	133.1 Å²	133.1	69%	0.686	69%	0.689	S	S	*	*			trans	-70.5	127	174.6	-76.8	167.6	0	0	0	108.8	N339	N339-L341 HydrophobicContact CB-CD2 4.23Å; N339-L341 HydrophobicContact CB-CG 3.94Å; N339-L341 PolarHBondContact O-N 2.81Å
342	P	31.8	Very low	38.8	Very low	105 Å²	105	135.6 Å²	135.6	68%	0.682	70%	0.701	S	S	*	*			trans	-64.5	143.4	171.5	-9.8	23.9	0	0	0	109.7	V344	P342-V344 PolarHBondContact O-N 3.43Å
343	H	31.6	Very low	37.8	Very low	196 Å²	196	135.6 Å²	135.6	91%	0.907	71%	0.71	S	S	*	*			trans	-55.1	111.2	169.3	-88.4	-76.9	0	0	0	110.3
344	V	34.1	Very low	36.7	Very low	105 Å²	105	141 Å²	141	64%	0.636	73%	0.727	S	S	*	*			trans	-108.4	108.6	165.1	-177.3	0	0	0	0	107.8	P342 Y346	P342-V344 PolarHBondContact O-N 3.43Å; V344-Y346 HydrophobicContact CG1-CE2 4.45Å; V344-Y346 PolarHBondContact O-N 3.1Å
345	H	31.8	Very low	35.7	Very low	178 Å²	178	142.6 Å²	142.6	82%	0.824	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-67.1	119.8	169.6	-113.5	-86.9	0	0	0	109.1
346	Y	29.2	Very low	34.9	Very low	197 Å²	197	144.6 Å²	144.6	77%	0.773	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-91.2	130.6	163.7	-74.7	-84.8	0	0	0	109.5	V344	V344-Y346 HydrophobicContact CG1-CE2 4.45Å; V344-Y346 PolarHBondContact O-N 3.1Å
347	P	31.1	Very low	34	Very low	112 Å²	112	147.7 Å²	147.7	73%	0.727	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-74.3	131.3	175.9	28.6	-29.9	0	0	0	110.5	V349	P347-V349 PolarHBondContact O-N 2.87Å
348	V	29.1	Very low	32.9	Very low	135 Å²	135	154.9 Å²	154.9	82%	0.818	79%	0.785	S	S	*	*			trans	-72	113.2	172.4	176.6	0	0	0	0	108.9
349	V	31.2	Very low	32.1	Very low	134 Å²	134	154.8 Å²	154.8	81%	0.812	79%	0.793	S	S	*	*			trans	-89	111.1	169.4	-179.1	0	0	0	0	108.6	P347	P347-V349 PolarHBondContact O-N 2.87Å
350	R	29.7	Very low	31.6	Very low	222 Å²	222	154.6 Å²	154.6	84%	0.838	81%	0.805	S	S	*	*			trans	-72	133.8	171.4	-79.6	179.4	170.9	168.2	-2.8	110.3
351	S	31.4	Very low	31.6	Very low	113 Å²	113	147.9 Å²	147.9	79%	0.79	80%	0.795	S	S	*	*			trans	-61.2	128	170.9	53.5	0	0	0	0	111.4
352	V	30.9	Very low	31.8	Very low	128 Å²	128	147.7 Å²	147.7	78%	0.776	80%	0.799	S	S	*	*			trans	-98.9	100.9	169.8	-177.9	0	0	0	0	108.2	K354	V352-K354 HydrophobicContact CG1-CG 4.23Å
353	S	33.5	Very low	32.3	Very low	107 Å²	107	149.3 Å²	149.3	75%	0.748	81%	0.806	S	S	*	*			trans	-83.2	108.2	159.2	43.3	0	0	0	0	108.2	S355	S353-S355 PolarHBondContact O-N 3.38Å
354	K	32	Very low	32.6	Very low	197 Å²	197	145.3 Å²	145.3	86%	0.857	80%	0.798	S	S	*	*			trans	-79.5	101.9	167.8	-82.9	-178.1	175	179.1	0	108.3	V352	V352-K354 HydrophobicContact CG1-CG 4.23Å
355	S	33.1	Very low	32.8	Very low	112 Å²	112	144.5 Å²	144.5	78%	0.783	80%	0.802	S	S	*	*			trans	-102.3	135.5	156.1	-61.6	0	0	0	0	108	S353	S353-S355 PolarHBondContact O-N 3.38Å
356	A	30	Very low	33.2	Very low	93 Å²	93	144.1 Å²	144.1	77%	0.769	81%	0.806	S	S	*	*			trans	-60.4	156.6	176.4	0	0	0	0	0	111.8
357	E	28.8	Very low	33.6	Very low	190 Å²	190	138.6 Å²	138.6	89%	0.888	81%	0.809	S	S	*	*			trans	132.6	96.1	157.1	-74.9	172.2	-175.8	0	0	112.1
358	R	30.3	Very low	33.9	Very low	242 Å²	242	137.1 Å²	137.1	91%	0.913	81%	0.814	S	S	*	*			trans	-151.7	107.8	148.4	-81	-164.7	-179.5	-164.8	-2.1	108.1
359	E	34.5	Very low	34.3	Very low	201 Å²	201	134.3 Å²	134.3	94%	0.939	81%	0.813	S	S	*	*			trans	-164.6	111.1	138.2	-108.1	172.1	-160.7	0	0	108.1
360	A	29	Very low	35	Very low	95 Å²	95	135.1 Å²	135.1	79%	0.785	82%	0.818	S	S	*	*			trans	-101.4	147.5	159.7	0	0	0	0	0	106.6
361	P	36.1	Very low	35.5	Very low	113 Å²	113	128.4 Å²	128.4	73%	0.734	82%	0.817	S	S	*	*				-147.2	156.3	104	32	-12.9	0	0	0	116.5
362	T	39.2	Very low	35.8	Very low	127 Å²	127	126.8 Å²	126.8	78%	0.779	82%	0.819	S	S	*	*			trans	83.4	112.4	142.6	47.4	0	0	0	0	123.1
363	V	40.8	Very low	36.1	Very low	138 Å²	138	124.9 Å²	124.9	84%	0.836	83%	0.825	S	S	*	*				95.7	141.5	124.5	172.6	0	0	0	0	118.5
364	P	38.8	Very low	36.3	Very low	113 Å²	113	123.6 Å²	123.6	73%	0.734	83%	0.828	S	S	*	*				-123.9	175.8	-128.5	44.2	-33.8	0	0	0	117.4
365	A	39.2	Very low	36.6	Very low	88 Å²	88	118.2 Å²	118.2	73%	0.727	83%	0.829	S	S	*	*			trans	62	113.7	143.9	0	0	0	0	0	120.8
366	N	38.9	Very low	36.7	Very low	170 Å²	170	121 Å²	121	91%	0.909	84%	0.835	S	S	*	*				-176.7	140	112.3	-116.3	-12.6	0	0	0	113.7
367	G	38.1	Very low	36.9	Very low	81 Å²	81	119.9 Å²	119.9	84%	0.835	83%	0.832	S	S	*	*			trans	51.6	137.6	149.2	0	0	0	0	0	120.2
368	G	36.5	Very low	37	Very low	80 Å²	80	113.9 Å²	113.9	83%	0.825	82%	0.822	S	S	*	*			cis	157	137.3	10.2	0	0	0	0	0	108.8
369	G	38.5	Very low	37.2	Very low	77 Å²	77	108 Å²	108	79%	0.794	82%	0.818	S	S	*	*			trans	73.8	157.5	158.2	0	0	0	0	0	119.2
370	V	45.5	Very low	37	Very low	150 Å²	150	106.4 Å²	106.4	91%	0.909	81%	0.81	S	S	*	*			cis	-171.9	144.4	-12.9	152.1	0	0	0	0	105.3
371	G	39.4	Very low	37.1	Very low	81 Å²	81	108 Å²	108	84%	0.835	81%	0.805	S	S	*	*			trans	85.2	143.1	152.1	0	0	0	0	0	117.5
372	G	38.6	Very low	36.7	Very low	79 Å²	79	109.6 Å²	109.6	81%	0.814	80%	0.8	S	S	*	*			cis	153.6	137.3	5.1	0	0	0	0	0	109.9
373	G	37.7	Very low	36.2	Very low	89 Å²	89	111.7 Å²	111.7	92%	0.918	80%	0.799	S	S	*	*			trans	71.9	144.1	160.6	0	0	0	0	0	117.3
374	G	36.8	Very low	35.4	Very low	79 Å²	79	109 Å²	109	81%	0.814	79%	0.792	S	S	*	*			cis	152.1	138.5	7.3	0	0	0	0	0	109.9
375	G	37.7	Very low	34.9	Very low	84 Å²	84	109.8 Å²	109.8	87%	0.866	79%	0.794	S	S	*	*			trans	58.2	163.6	160.8	0	0	0	0	0	119.5
376	D	36.1	Very low	34.4	Very low	171 Å²	171	115 Å²	115	91%	0.914	80%	0.803	S	S	*	*			cis	-175.4	161.4	-13.7	-176.2	22.6	0	0	0	106.7
377	G	34.1	Very low	34	Very low	69 Å²	69	112.2 Å²	112.2	71%	0.711	79%	0.792	S	S	*	*			trans	84.1	135.6	164.2	0	0	0	0	0	116.2
378	G	30.6	Very low	33.6	Very low	65 Å²	65	114.4 Å²	114.4	67%	0.67	80%	0.795	S	S	*	*			cis	135.2	139	17.5	0	0	0	0	0	108.6
379	S	34.1	Very low	33.2	Very low	117 Å²	117	117.5 Å²	117.5	82%	0.818	80%	0.798	S	S	*	*			trans	71.1	145.7	170.5	77.3	0	0	0	0	116.5
380	E	31.2	Very low	32.6	Very low	169 Å²	169	117 Å²	117	79%	0.79	79%	0.792	S	S	*	*			cis	-174.8	172.7	-0.7	-121.1	-176.4	168.1	0	0	107.4
381	L	30	Very low	31.8	Very low	127 Å²	127	115.7 Å²	115.7	67%	0.665	79%	0.789	S	S	*	*			trans	102.2	102.7	143.5	-112.1	74.8	0	0	0	121.9
382	F	29.1	Very low	31.4	Very low	147 Å²	147	117.4 Å²	117.4	65%	0.645	78%	0.783	S	S	*	*				83.7	113.8	125.1	-88.7	-136.9	0	0	0	121.1
383	K	27.3	Very low	30.9	Very low	171 Å²	171	119.9 Å²	119.9	74%	0.743	78%	0.782	S	S	*	*				76.5	136.1	101	-75	-166.7	-168.8	173.1	0	113.2
384	A	26.1	Very low	30.5	Very low	83 Å²	83	123.6 Å²	123.6	69%	0.686	78%	0.777	S	S	*	*			cis	-165.3	142.2	3.9	0	0	0	0	0	106.3
385	V	26.9	Very low	30.2	Very low	129 Å²	129	127.4 Å²	127.4	78%	0.782	78%	0.778	S	S	*	*			trans	-143	97.4	158.6	-174.6	0	0	0	0	107.7	T387	V385-T387 HydrophobicContact CG1-CG2 4.02Å; V385-T387 PolarHBondContact O-N 3.3Å
386	E	29.1	Very low	29.9	Very low	198 Å²	198	129.8 Å²	129.8	93%	0.925	77%	0.77	S	S	*	*			trans	-65.7	109.6	161	-76.3	173.1	146.4	0	0	107.9
387	T	31.2	Very low	29.6	Very low	111 Å²	111	125.2 Å²	125.2	68%	0.681	76%	0.756	S	S	*	*			trans	-101.3	113.1	165.2	36.8	0	0	0	0	108.1	V385 T389	V385-T387 HydrophobicContact CG1-CG2 4.02Å; V385-T387 PolarHBondContact O-N 3.3Å; T387-T389 PolarHBondContact O-N 2.94Å
388	S	29.7	Very low	29.4	Very low	126 Å²	126	131 Å²	131	88%	0.881	76%	0.758	S	S	*	*			trans	-55.1	104.5	171.1	55.1	0	0	0	0	109.9
389	T	27.3	Very low	29.5	Very low	145 Å²	145	135 Å²	135	89%	0.89	76%	0.763	S	S	*	*			trans	-82.7	113.8	170	14.2	0	0	0	0	107.7	T387	T387-T389 PolarHBondContact O-N 2.94Å
390	G	25.9	Very low	29.5	Very low	66 Å²	66	136.6 Å²	136.6	68%	0.68	76%	0.762	S	S	*	*			trans	179.3	61.9	178.9	0	0	0	0	0	112.3
391	C	28.7	Very low	29.7	Very low	124 Å²	124	135.6 Å²	135.6	84%	0.838	76%	0.761	S	S	*	*	S	Bend	trans	-170.7	12.1	162.4	-107	0	0	0	0	115.5
392	V	30.1	Very low	29.8	Very low	116 Å²	116	137.7 Å²	137.7	70%	0.703	77%	0.772	S	S	*	*			trans	-118.6	5.2	-173.2	-176.3	0	0	0	0	113.7	M394	V392-M394 PolarHBondContact O-N 3.16Å
393	V	28.7	Very low	30.2	Very low	132 Å²	132	142.7 Å²	142.7	80%	0.8	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-9.2	-166	178.7	0	0	0	0	115.8
394	M	29.4	Very low	30.3	Very low	166 Å²	166	141.3 Å²	141.3	82%	0.818	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	4.1	-169.2	-81.4	-85.7	-88.5	0	0	117.4	V392	V392-M394 PolarHBondContact O-N 3.16Å
395	L	30.3	Very low	30.6	Very low	159 Å²	159	144.3 Å²	144.3	83%	0.832	81%	0.806	S	S	*	*	S	Bend	trans	-126.5	6.1	-173.5	-106.4	136.5	0	0	0	116.8
396	L	31.2	Very low	30.8	Very low	135 Å²	135	145.2 Å²	145.2	71%	0.707	81%	0.807	S	S	*	*	S	Bend	trans	-123	1.7	179.4	-80.4	166	0	0	0	115.3
397	A	30	Very low	30.9	Very low	75 Å²	75	142.1 Å²	142.1	62%	0.62	80%	0.8	S	S	*	*	S	Bend	trans	-85.8	-8.7	-179.5	0	0	0	0	0	115
398	Y	31.5	Very low	30.9	Very low	191 Å²	191	144 Å²	144	75%	0.749	81%	0.808	S	S	*	*	S	Bend	trans	-100.1	0.4	-173.3	-143.3	-103.7	0	0	0	115.3
399	L	32	Very low	30.9	Very low	148 Å²	148	145.2 Å²	145.2	78%	0.775	80%	0.803	S	S	*	*	S	Bend	trans	-110.6	9.7	-178	-83.4	163.6	0	0	0	114.8
400	L	34.4	Very low	31.2	Very low	151 Å²	151	145.2 Å²	145.2	79%	0.791	80%	0.797	S	S	*	*	S	Bend	trans	-127.3	11.7	178.9	-80.5	165.8	0	0	0	114.9
401	L	35.7	Very low	31.6	Very low	147 Å²	147	151.3 Å²	151.3	77%	0.77	81%	0.806	S	S	*	*	S	Bend	trans	-111.2	20.9	173.6	-81	161.9	0	0	0	113.4
402	L	31.6	Very low	31.8	Very low	171 Å²	171	153.6 Å²	153.6	90%	0.895	80%	0.803	S	S	*	*			trans	-118.4	57.2	166.3	-74	169	0	0	0	110
403	Q	37.1	Very low	32	Very low	252 Å²	252	157 Å²	157	100%	1.178	81%	0.812	S	S	*	*			trans	-144.8	0	146.8	-84.4	-166	-47.4	0	0	105.9

Retrieved 403 of 403 residues in 2513.2 ms (Link to these results)

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