A0A061I4T5_CRIGR Loading...

Glycogen synthase kinase-3 beta

AlphaFold DB , UniProt , Accession A0A061I4T5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gsk3b, Length 433 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	34.2	Very low	44	Very low	206 Å²	206	98.9 Å²	98.9	100%	1.015	55%	0.546	S	S	*	.				0	112.7	0	-72	-171.5	177.3	0	0	108	G3	M1-G3 PolarHBondContact O-N 3.49Å
2	S	28.5	Very low	43.6	Very low	129 Å²	129	104 Å²	104	90%	0.902	56%	0.563	S	S	*	*			trans	-62.5	118.3	-175.8	41.8	0	0	0	0	111.1	R4	S2-R4 PolarHBondContact O-N 3.32Å; S2-R4 VanDerWaalsContact O-N 3.16Å
3	G	31.9	Very low	43.3	Very low	73 Å²	73	105.5 Å²	105.5	75%	0.753	59%	0.586	S	S	*	*			trans	-77.9	91.9	-175.9	0	0	0	0	0	112.4	M1	M1-G3 PolarHBondContact O-N 3.49Å
4	R	32.8	Very low	42.5	Very low	225 Å²	225	105.1 Å²	105.1	85%	0.849	59%	0.593	S	S	*	*			trans	-68.1	130.1	150.3	-80.4	-171.5	178.7	-174.7	0.7	107.8	S2 R6	S2-R4 PolarHBondContact O-N 3.32Å; S2-R4 VanDerWaalsContact O-N 3.16Å; R4-R6 PolarHBondContact O-N 3.01Å
5	P	38.8	Very low	42.1	Very low	82 Å²	82	111.1 Å²	111.1	53%	0.532	61%	0.61	S	S	.	*			trans	-57.9	132.1	173.4	-14.4	26.2	0	0	0	108.2	T7	P5-T7 HydrophobicContact CB-CG2 3.91Å; P5-T7 PolarHBondContact O-N 3.35Å
6	R	54.4	Low	41.7	Very low	83 Å²	83	112.1 Å²	112.1	31%	0.313	62%	0.623	S	S	.	*			trans	-73	86.4	168.3	-62.3	177.9	-147.5	-163.2	1.9	105.9	R4 T8 F67 D181 S219	R4-R6 PolarHBondContact O-N 3.01Å; R6-T8 PolarHBondContact O-N 2.97Å; R6-F67 HydrophobicContact CB-CZ 3.86Å; R6-F67 VanDerWaalsContact O-CE1 3.28Å; R6-F67 WeakPolarHBondContact O-CE1 3.4Å; R6-F67 WeakPolarHBondContact O-CZ 3.24Å; R6-D181 IonicContact NH1-OD1 3.58Å; R6-S219 PolarHBondContact NH1-OG 3.09Å
7	T	52.3	Low	41.7	Very low	46 Å²	46	112.7 Å²	112.7	28%	0.282	63%	0.63	S	S	.	*			trans	-74.8	127.7	-172.4	50	0	0	0	0	109.7	P5 F93	P5-T7 HydrophobicContact CB-CG2 3.91Å; P5-T7 PolarHBondContact O-N 3.35Å; T7-F93 HydrophobicContact CG2-CD1 4.22Å; T7-F93 HydrophobicContact CG2-CE1 3.33Å; T7-F93 HydrophobicContact CG2-CE2 4.38Å; T7-F93 HydrophobicContact CG2-CZ 3.43Å; T7-F93 VanDerWaalsContact CG2-CZ 3.43Å
8	T	57.7	Low	41.6	Very low	19 Å²	19	116.8 Å²	116.8	12%	0.117	64%	0.643	C	S	.	*			trans	-63.8	148	156.4	55.6	0	0	0	0	107.2	R6 F93 G202	R6-T8 PolarHBondContact O-N 2.97Å; T8-F93 WeakPolarHBondContact O-CD1 3.22Å; T8-G202 WeakPolarHBondContact CG2-O 3.35Å
9	S	54.1	Low	42	Very low	28 Å²	28	116 Å²	116	20%	0.196	63%	0.634	C	S	.	*			trans	-36.7	140.1	-174.7	-46.4	0	0	0	0	113.7	V214	S9-V214 WeakPolarHBondContact OG-CG2 3.34Å
10	F	53.1	Low	42.5	Very low	150 Å²	150	113.4 Å²	113.4	66%	0.658	62%	0.623	S	S	*	*	B	Isolated β-bridge	trans	-53	145.8	173.5	-75.1	-80.2	0	0	0	110.9	E12 F93	F10-E12 VanDerWaalsContact C-N 3.33Å; F10-E12 PolarHBondContact O-N 3.17Å; F10-F93 HydrophobicContact CD1-CE1 4.24Å; F10-F93 HydrophobicContact CE1-CE1 4.17Å; F10-F93 HydrophobicContact CE1-CZ 4.35Å
11	A	46.3	Very low	42.5	Very low	47 Å²	47	114.4 Å²	114.4	39%	0.388	64%	0.638	S	S	.	*			trans	-69.2	89.4	175.4	0	0	0	0	0	110.3	R92 K94	A11-R92 WeakPolarHBondContact CB-O 3.21Å; A11-R92 PolarHBondContact N-O 3.29Å; A11-K94 HydrophobicContact CB-CG 4.1Å
12	E	39.2	Very low	43.2	Very low	160 Å²	160	108.2 Å²	108.2	75%	0.748	62%	0.62	S	S	*	*			trans	-69	146.8	164.2	-79.2	178.7	175.1	0	0	110.7	F10 C14 K94	F10-E12 VanDerWaalsContact C-N 3.33Å; F10-E12 PolarHBondContact O-N 3.17Å; E12-C14 PolarHBondContact O-N 2.93Å; E12-K94 PolarHBondContact O-NZ 3.4Å; E12-K94 VanDerWaalsContact O-NZ 3.16Å
13	S	39	Very low	44.6	Very low	123 Å²	123	106.4 Å²	106.4	86%	0.86	60%	0.596	S	S	*	*	S	Bend	trans	-35.4	87.3	-176.5	38	0	0	0	0	114.2
14	C	33.2	Very low	45.8	Very low	101 Å²	101	104.7 Å²	104.7	68%	0.682	58%	0.579	S	S	*	*			trans	-142.5	144.5	162.6	-94.2	0	0	0	0	108	E12	E12-C14 PolarHBondContact O-N 2.93Å
15	K	36	Very low	47.6	Very low	195 Å²	195	97.9 Å²	97.9	85%	0.848	57%	0.566	S	S	*	*			trans	-38.3	136.3	-167.6	-66.8	-179.6	178.1	179.2	0	112.9	V17	K15-V17 PolarHBondContact O-N 2.82Å
16	P	35.5	Very low	49.7	Very low	126 Å²	126	98 Å²	98	82%	0.818	56%	0.56	S	S	*	*			trans	-53.8	129.2	178.3	21.4	-31.1	0	0	0	109.5	Q18	P16-Q18 PolarHBondContact O-N 2.94Å; P16-Q18 VanDerWaalsContact O-N 3.15Å
17	V	42.3	Very low	51.4	Low	123 Å²	123	100.3 Å²	100.3	75%	0.745	57%	0.572	S	S	*	*			trans	-59.8	119.6	169.4	179.2	0	0	0	0	106.4	K15 Q19	K15-V17 PolarHBondContact O-N 2.82Å; V17-Q19 PolarHBondContact O-N 3.05Å
18	Q	38.8	Very low	53.1	Low	187 Å²	187	102.3 Å²	102.3	87%	0.874	58%	0.584	S	S	*	*			trans	-56.2	115.8	175.2	-100.5	173.8	-15.3	0	0	108.4	P16	P16-Q18 PolarHBondContact O-N 2.94Å; P16-Q18 VanDerWaalsContact O-N 3.15Å
19	Q	49.3	Very low	54.7	Low	101 Å²	101	104.2 Å²	104.2	47%	0.472	60%	0.598	S	S	.	*			trans	-66.3	141.3	168.8	-71	-169.8	-18	0	0	108.2	V17 S21	V17-Q19 PolarHBondContact O-N 3.05Å; Q19-S21 PolarHBondContact O-N 2.96Å
20	P	52.4	Low	56.3	Low	63 Å²	63	112.5 Å²	112.5	41%	0.409	63%	0.625	S	S	.	*			trans	-53.1	130.9	171.4	-21.1	30.2	0	0	0	109.8	A22 Y117	P20-A22 PolarHBondContact O-N 3.42Å; P20-A22 VanDerWaalsContact O-N 3.15Å; P20-Y117 HydrophobicContact CG-CD2 4.05Å; P20-Y117 HydrophobicContact CG-CE2 3.98Å
21	S	43.2	Very low	57.7	Low	135 Å²	135	108.3 Å²	108.3	94%	0.944	61%	0.61	S	S	*	*	S	Bend	trans	-69.1	-7.1	-175.1	42	0	0	0	0	114.3	Q19	Q19-S21 PolarHBondContact O-N 2.96Å
22	A	47.8	Very low	59	Low	77 Å²	77	116.3 Å²	116.3	64%	0.636	64%	0.636	S	S	*	*	S	Bend	trans	-144.2	123.8	173.7	0	0	0	0	0	110.2	P20 G24	P20-A22 PolarHBondContact O-N 3.42Å; P20-A22 VanDerWaalsContact O-N 3.15Å; A22-G24 PolarHBondContact O-N 3.4Å
23	F	59	Low	60.9	Low	90 Å²	90	116.1 Å²	116.1	40%	0.395	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-71.3	119.7	165.3	-59	-73.4	0	0	0	107.5	S25 V126	F23-S25 PolarHBondContact O-N 3.43Å; F23-V126 HydrophobicContact CE1-CB 4.3Å; F23-V126 HydrophobicContact CE1-CG1 3.76Å; F23-V126 HydrophobicContact CE1-CG2 3.53Å; F23-V126 HydrophobicContact CZ-CG2 3.56Å
24	G	57.5	Low	62.8	Low	37 Å²	37	112.1 Å²	112.1	38%	0.381	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-55.7	125.7	170.3	0	0	0	0	0	109.1	A22 M26	A22-G24 PolarHBondContact O-N 3.4Å; G24-M26 PolarHBondContact O-N 3.08Å
25	S	69.7	Low	65.3	Low	83 Å²	83	109.1 Å²	109.1	58%	0.58	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-68.3	119	180	49.2	0	0	0	0	109.6	F23 K27	F23-S25 PolarHBondContact O-N 3.43Å; S25-K27 PolarHBondContact O-N 3.01Å
26	M	83.8	Confident	68	Low	83 Å²	83	106.1 Å²	106.1	41%	0.409	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-71.7	120	169.3	-179.6	178.7	-75.2	0	0	108	G24 T38 V40 F116	G24-M26 PolarHBondContact O-N 3.08Å; M26-T38 HydrophobicContact CE-CG2 4.16Å; M26-T38 HydrophobicContact CG-CG2 3.6Å; M26-T38 HydrophobicContact SD-CG2 3.72Å; M26-V40 HydrophobicContact CB-CG1 4.21Å; M26-V40 HydrophobicContact CE-CG1 3.74Å; M26-V40 HydrophobicContact CG-CG1 3.94Å; M26-F116 HydrophobicContact CE-CE2 3.79Å; M26-F116 HydrophobicContact CE-CZ 4.39Å
27	K	89.4	Confident	70.9	Confident	133 Å²	133	100.8 Å²	100.8	58%	0.578	55%	0.55	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.9	136.7	176.8	-65.4	178.7	-175.5	172.4	0	109.1	S25 T39	S25-K27 PolarHBondContact O-N 3.01Å; K27-T39 PolarHBondContact N-O 3.47Å; K27-T39 PolarHBondContact O-N 3.25Å
28	V	88.8	Confident	73.5	Confident	87 Å²	87	95.5 Å²	95.5	53%	0.527	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.9	174.6	177.3	0	0	0	0	107.9	K36 V37	V28-K36 HydrophobicContact CG1-CD 4.17Å; V28-K36 HydrophobicContact CG1-CG 3.74Å; V28-V37 WeakPolarHBondContact CA-O 3.09Å
29	S	91.1	Very high	76.2	Confident	59 Å²	59	87.3 Å²	87.3	41%	0.413	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	-179.2	175.1	60.4	0	0	0	0	110.3	V37	S29-V37 PolarHBondContact N-O 3.49Å; S29-V37 PolarHBondContact O-N 3.43Å
30	R	87.3	Confident	78.4	Confident	203 Å²	203	82.8 Å²	82.8	77%	0.766	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	139.6	170.2	-65	-173	-177.1	-143.5	4.4	109.1	S35	R30-S35 CarbonylContact C-O 3.59Å; R30-S35 VanDerWaalsContact CA-O 3.27Å; R30-S35 WeakPolarHBondContact CA-O 3.46Å
31	D	81.6	Confident	80.5	Confident	62 Å²	62	83.3 Å²	83.3	33%	0.332	46%	0.462	S	S	.	.			trans	-79.3	-176.3	170.6	69.6	14.9	0	0	0	111.8	D33 G34 S35 V37	D31-D33 PolarHBondContact O-N 3.28Å; D31-D33 PolarHBondContact OD1-N 2.79Å; D31-G34 PolarHBondContact O-N 3.06Å; D31-G34 PolarHBondContact OD1-N 2.87Å; D31-S35 PolarHBondContact N-O 3.46Å; D31-S35 WeakPolarHBondContact OD1-CB 3.46Å; D31-S35 PolarHBondContact OD1-N 3.22Å; D31-S35 WeakPolarHBondContact OD2-CB 3.47Å; D31-V37 HydrophobicContact CB-CG2 3.8Å
32	K	74.5	Confident	83	Confident	215 Å²	215	76.9 Å²	76.9	94%	0.935	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.3	-177.6	-63.7	-178.3	-178.7	177.9	0	113.2	G34	K32-G34 VanDerWaalsContact C-N 3.33Å
33	D	78.3	Confident	85.4	Confident	155 Å²	155	74.3 Å²	74.3	83%	0.829	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	3.8	179.4	-59	-38.8	0	0	0	111.8	D31 S35	D31-D33 PolarHBondContact O-N 3.28Å; D31-D33 PolarHBondContact OD1-N 2.79Å; D33-S35 VanDerWaalsContact C-N 3.31Å
34	G	79.5	Confident	87.2	Confident	39 Å²	39	71.2 Å²	71.2	40%	0.402	38%	0.382	S	S	.	.			trans	81.3	5.7	180	0	0	0	0	0	114.4	D31 K32	D31-G34 PolarHBondContact O-N 3.06Å; D31-G34 PolarHBondContact OD1-N 2.87Å; K32-G34 VanDerWaalsContact C-N 3.33Å
35	S	85.8	Confident	88.9	Confident	38 Å²	38	69.4 Å²	69.4	27%	0.266	36%	0.364	S	S	.	.			trans	-69.7	142.6	176.7	-166.5	0	0	0	0	110.9	R30 D31 D33 V37	R30-S35 CarbonylContact C-O 3.59Å; R30-S35 VanDerWaalsContact CA-O 3.27Å; R30-S35 WeakPolarHBondContact CA-O 3.46Å; D31-S35 PolarHBondContact N-O 3.46Å; D31-S35 WeakPolarHBondContact OD1-CB 3.46Å; D31-S35 PolarHBondContact OD1-N 3.22Å; D31-S35 WeakPolarHBondContact OD2-CB 3.47Å; D33-S35 VanDerWaalsContact C-N 3.31Å; S35-V37 PolarHBondContact O-N 3.11Å
36	K	93.1	Very high	90	Very high	133 Å²	133	68 Å²	68	58%	0.578	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	115.5	-179.1	-176.4	-174.1	178.1	-176.7	0	109.6	V28	V28-K36 HydrophobicContact CG1-CD 4.17Å; V28-K36 HydrophobicContact CG1-CG 3.74Å
37	V	95.8	Very high	90.4	Very high	14 Å²	14	66.6 Å²	66.6	9%	0.085	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.9	174.5	-177.6	0	0	0	0	109.2	V28 S29 D31 S35 T57	V28-V37 WeakPolarHBondContact CA-O 3.09Å; S29-V37 PolarHBondContact N-O 3.49Å; S29-V37 PolarHBondContact O-N 3.43Å; D31-V37 HydrophobicContact CB-CG2 3.8Å; S35-V37 PolarHBondContact O-N 3.11Å; V37-T57 HydrophobicContact CB-CG2 4.29Å; V37-T57 HydrophobicContact CG2-CG2 3.72Å
38	T	96.1	Very high	90.4	Very high	11 Å²	11	64.3 Å²	64.3	7%	0.067	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.6	171.8	-54.6	0	0	0	0	109	M26 V40 S55 Y56	M26-T38 HydrophobicContact CE-CG2 4.16Å; M26-T38 HydrophobicContact CG-CG2 3.6Å; M26-T38 HydrophobicContact SD-CG2 3.72Å; T38-V40 HydrophobicContact CG2-CG1 4.41Å; T38-S55 CarbonylContact O-C 3.58Å; T38-S55 WeakPolarHBondContact O-CA 3.46Å; T38-Y56 HydrophobicContact CG2-CE1 4.13Å; T38-Y56 HydrophobicContact CG2-CE2 3.99Å; T38-Y56 WeakPolarHBondContact CG2-OH 3.14Å; T38-Y56 PolarHBondContact N-O 2.65Å; T38-Y56 PolarHBondContact O-N 2.8Å
39	T	96.5	Very high	90.6	Very high	16 Å²	16	65 Å²	65	10%	0.098	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.2	179.3	-64.8	0	0	0	0	109.8	K27 E53 V54 S55	K27-T39 PolarHBondContact N-O 3.47Å; K27-T39 PolarHBondContact O-N 3.25Å; T39-E53 HydrophobicContact CG2-CG 3.4Å; T39-E53 WeakPolarHBondContact CG2-OE1 3.34Å; T39-V54 WeakPolarHBondContact CA-O 3.42Å; T39-S55 PolarHBondContact OG1-OG 2.83Å
40	V	96.1	Very high	90.7	Very high	5 Å²	5	71.3 Å²	71.3	3%	0.03	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.6	178.8	-63	0	0	0	0	110.8	M26 T38 A42 E53 V54 Y56 F116	M26-V40 HydrophobicContact CB-CG1 4.21Å; M26-V40 HydrophobicContact CE-CG1 3.74Å; M26-V40 HydrophobicContact CG-CG1 3.94Å; T38-V40 HydrophobicContact CG2-CG1 4.41Å; V40-A42 HydrophobicContact CG2-CB 4.25Å; V40-E53 WeakPolarHBondContact O-CA 3.49Å; V40-V54 HydrophobicContact CG2-CB 4.22Å; V40-V54 PolarHBondContact N-O 2.94Å; V40-V54 PolarHBondContact O-N 2.85Å; V40-Y56 HydrophobicContact CG1-CE1 4.37Å; V40-Y56 HydrophobicContact CG2-CE1 4.13Å; V40-F116 HydrophobicContact CB-CD2 4.19Å; V40-F116 HydrophobicContact CB-CE2 4.37Å; V40-F116 HydrophobicContact CB-CG 4.31Å; V40-F116 HydrophobicContact CG1-CD2 4.07Å; V40-F116 HydrophobicContact CG1-CE2 3.82Å; V40-F116 HydrophobicContact CG1-CZ 4.15Å; V40-F116 HydrophobicContact CG2-CD1 3.88Å; V40-F116 HydrophobicContact CG2-CD2 4.33Å; V40-F116 HydrophobicContact CG2-CE1 3.97Å; V40-F116 HydrophobicContact CG2-CE2 4.42Å; V40-F116 HydrophobicContact CG2-CG 4.07Å; V40-F116 HydrophobicContact CG2-CZ 4.23Å
41	V	96.1	Very high	91.1	Very high	75 Å²	75	65.6 Å²	65.6	46%	0.455	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.5	164.3	180	0	0	0	0	107.5	P51 Q52	V41-P51 HydrophobicContact CG1-CB 3.57Å; V41-Q52 WeakPolarHBondContact CA-O 3.45Å
42	A	96.1	Very high	91.7	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.1	-176	0	0	0	0	0	111.8	V40 P51 Q52 V54 F115 F116	V40-A42 HydrophobicContact CG2-CB 4.25Å; A42-P51 WeakPolarHBondContact O-CA 3.24Å; A42-Q52 PolarHBondContact N-O 2.84Å; A42-Q52 PolarHBondContact O-N 2.75Å; A42-V54 HydrophobicContact CB-CB 4.4Å; A42-V54 HydrophobicContact CB-CG2 3.92Å; A42-F115 WeakPolarHBondContact CA-O 3.41Å; A42-F116 HydrophobicContact CB-CB 3.94Å; A42-F116 HydrophobicContact CB-CD1 4.12Å; A42-F116 HydrophobicContact CB-CG 4.43Å
43	T	96.5	Very high	92.8	Very high	23 Å²	23	62.7 Å²	62.7	14%	0.141	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.8	177.7	-55.4	0	0	0	0	109.6	D49 Y114 F115	T43-D49 HydrophobicContact CG2-CB 4.39Å; T43-D49 WeakPolarHBondContact CG2-OD1 3.45Å; T43-Y114 CarbonylContact O-C 3.46Å; T43-Y114 WeakPolarHBondContact O-CA 3.43Å; T43-F115 HydrophobicContact CG2-CE1 3.57Å; T43-F115 HydrophobicContact CG2-CZ 3.62Å; T43-F115 PolarHBondContact N-O 3.37Å; T43-F115 WeakPolarHBondContact O-CD1 3.46Å; T43-F115 PolarHBondContact O-N 2.77Å
44	P	97.2	Very high	93.7	Very high	24 Å²	24	55.7 Å²	55.7	16%	0.156	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	138.8	170.8	-27.1	35.2	0	0	0	112.9	Q46 R50	P44-Q46 WeakPolarHBondContact CB-O 3.34Å; P44-R50 WeakPolarHBondContact CD-O 3.47Å
45	G	94.6	Very high	94.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-65.4	-44.8	177.6	0	0	0	0	0	112.3	R102 L112 R113	G45-R102 WeakPolarHBondContact O-CA 3.35Å; G45-R102 WeakPolarHBondContact O-CB 3.39Å; G45-R102 VanDerWaalsContact O-CG 3.24Å; G45-R102 WeakPolarHBondContact O-CG 3.36Å; G45-R102 PolarHBondContact O-NE 3.09Å; G45-L112 WeakPolarHBondContact CA-O 3.44Å; G45-R113 PolarHBondContact N-O 3.19Å
46	Q	92.5	Very high	95	Very high	54 Å²	54	53.8 Å²	53.8	25%	0.252	29%	0.287	S	S	.	.	S	Bend	trans	-114.1	158.2	172.3	-61	81.7	10.6	0	0	110.8	P44 L104 L112	P44-Q46 WeakPolarHBondContact CB-O 3.34Å; Q46-L104 PolarHBondContact NE2-O 2.99Å; Q46-L104 VanDerWaalsContact NE2-O 3.09Å; Q46-L112 PolarHBondContact OE1-O 3.13Å
47	G	91	Very high	95.2	Very high	53 Å²	53	48 Å²	48	55%	0.546	26%	0.263	S	S	.	.	S	Bend	trans	87	-164.4	-178.7	0	0	0	0	0	113.6
48	P	90.6	Very high	95.1	Very high	84 Å²	84	51.7 Å²	51.7	55%	0.545	28%	0.283	S	S	.	.			trans	-68.1	147.9	-173.6	28.8	-35	0	0	0	112.2	R50	P48-R50 HydrophobicContact CB-CG 4.29Å; P48-R50 HydrophobicContact CG-CG 4.48Å; P48-R50 PolarHBondContact O-N 3.22Å
49	D	92.7	Very high	95	Very high	102 Å²	102	54.3 Å²	54.3	55%	0.545	30%	0.299	S	S	.	.			trans	-73.4	63.7	175	-79.7	-27.7	0	0	0	111.5	T43 P51 R102	T43-D49 HydrophobicContact CG2-CB 4.39Å; T43-D49 WeakPolarHBondContact CG2-OD1 3.45Å; D49-P51 WeakPolarHBondContact O-CD 3.34Å; D49-R102 IonicContact OD1-CZ 2.65Å; D49-R102 IonicContact OD1-NH1 3.69Å; D49-R102 PolarHBondContact OD1-NH1 2.7Å; D49-R102 IonicContact OD1-NH2 3.95Å; D49-R102 PolarHBondContact OD1-NH2 3.29Å; D49-R102 IonicContact OD2-CZ 2.71Å; D49-R102 IonicContact OD2-NH1 3.88Å; D49-R102 PolarHBondContact OD2-NH1 3.31Å; D49-R102 IonicContact OD2-NH2 3.22Å
50	R	93.8	Very high	95	Very high	191 Å²	191	58.8 Å²	58.8	72%	0.721	32%	0.316	S	S	*	.			trans	-107	102.1	173.8	-69.4	-177.4	-178	-178.8	0.9	108.7	P44 P48	P44-R50 WeakPolarHBondContact CD-O 3.47Å; P48-R50 HydrophobicContact CB-CG 4.29Å; P48-R50 HydrophobicContact CG-CG 4.48Å; P48-R50 PolarHBondContact O-N 3.22Å
51	P	94.5	Very high	95	Very high	84 Å²	84	62.2 Å²	62.2	55%	0.545	34%	0.337	S	S	.	.			trans	-61.9	144.5	177.5	-20.1	32.1	0	0	0	111.3	V41 A42 D49	V41-P51 HydrophobicContact CG1-CB 3.57Å; A42-P51 WeakPolarHBondContact O-CA 3.24Å; D49-P51 WeakPolarHBondContact O-CD 3.34Å
52	Q	95.1	Very high	94.9	Very high	85 Å²	85	62.3 Å²	62.3	40%	0.397	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.9	177.3	67.1	-167.8	-18.2	0	0	111.1	V41 A42 V54	V41-Q52 WeakPolarHBondContact CA-O 3.45Å; A42-Q52 PolarHBondContact N-O 2.84Å; A42-Q52 PolarHBondContact O-N 2.75Å; Q52-V54 HydrophobicContact CG-CG2 4.21Å
53	E	96.3	Very high	94.6	Very high	131 Å²	131	63.6 Å²	63.6	61%	0.612	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.3	175.6	-163.9	165.7	158.6	0	0	109.7	T39 V40	T39-E53 HydrophobicContact CG2-CG 3.4Å; T39-E53 WeakPolarHBondContact CG2-OE1 3.34Å; V40-E53 WeakPolarHBondContact O-CA 3.49Å
54	V	96.9	Very high	94.1	Very high	8 Å²	8	68.4 Å²	68.4	5%	0.048	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.3	177.4	179.7	0	0	0	0	108.2	T39 V40 A42 Q52 L75 Y114	T39-V54 WeakPolarHBondContact CA-O 3.42Å; V40-V54 HydrophobicContact CG2-CB 4.22Å; V40-V54 PolarHBondContact N-O 2.94Å; V40-V54 PolarHBondContact O-N 2.85Å; A42-V54 HydrophobicContact CB-CB 4.4Å; A42-V54 HydrophobicContact CB-CG2 3.92Å; Q52-V54 HydrophobicContact CG-CG2 4.21Å; V54-L75 HydrophobicContact CG1-CD2 3.9Å; V54-Y114 HydrophobicContact CG1-CD2 4.33Å; V54-Y114 HydrophobicContact CG1-CE2 4.42Å; V54-Y114 HydrophobicContact CG2-CD1 4.37Å; V54-Y114 HydrophobicContact CG2-CD2 4.2Å; V54-Y114 HydrophobicContact CG2-CE2 4.31Å; V54-Y114 HydrophobicContact CG2-CG 4.23Å
55	S	97.2	Very high	92.9	Very high	22 Å²	22	69.8 Å²	69.8	15%	0.154	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.8	177.5	-64.9	0	0	0	0	111.3	T38 T39 C76	T38-S55 CarbonylContact O-C 3.58Å; T38-S55 WeakPolarHBondContact O-CA 3.46Å; T39-S55 PolarHBondContact OG1-OG 2.83Å; S55-C76 VanDerWaalsContact C-SG 3.5Å; S55-C76 PolarHBondContact O-N 3.2Å
56	Y	97.3	Very high	91.7	Very high	15 Å²	15	73.6 Å²	73.6	6%	0.059	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.2	178	61.1	-94.2	0	0	0	113.4	T38 V40 A73 K74 I84 F116	T38-Y56 HydrophobicContact CG2-CE1 4.13Å; T38-Y56 HydrophobicContact CG2-CE2 3.99Å; T38-Y56 WeakPolarHBondContact CG2-OH 3.14Å; T38-Y56 PolarHBondContact N-O 2.65Å; T38-Y56 PolarHBondContact O-N 2.8Å; V40-Y56 HydrophobicContact CG1-CE1 4.37Å; V40-Y56 HydrophobicContact CG2-CE1 4.13Å; Y56-A73 HydrophobicContact CD2-CB 3.76Å; Y56-A73 HydrophobicContact CG-CB 4.27Å; Y56-K74 CarbonylContact C-O 3.48Å; Y56-K74 WeakPolarHBondContact CA-O 3.46Å; Y56-K74 VanDerWaalsContact CB-O 3.27Å; Y56-K74 WeakPolarHBondContact CB-O 3.32Å; Y56-I84 HydrophobicContact CD1-CD1 4.32Å; Y56-I84 HydrophobicContact CD2-CD1 3.98Å; Y56-I84 HydrophobicContact CE1-CD1 4.09Å; Y56-I84 HydrophobicContact CE2-CD1 3.72Å; Y56-I84 HydrophobicContact CG-CD1 4.27Å; Y56-F116 HydrophobicContact CE1-CZ 4.41Å
57	T	97.1	Very high	90.7	Very high	11 Å²	11	73.8 Å²	73.8	7%	0.067	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	-176	-178.6	59.2	0	0	0	0	111.7	V37 T59 A73 K74	V37-T57 HydrophobicContact CB-CG2 4.29Å; V37-T57 HydrophobicContact CG2-CG2 3.72Å; T57-T59 PolarHBondContact O-N 3.26Å; T57-T59 VanDerWaalsContact O-N 3.09Å; T57-A73 WeakPolarHBondContact O-CA 3.33Å; T57-K74 PolarHBondContact N-O 3.2Å; T57-K74 PolarHBondContact O-N 3.27Å
58	D	92.6	Very high	90.5	Very high	92 Å²	92	72.4 Å²	72.4	49%	0.492	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.7	37.5	166	-51	-37.2	0	0	0	114.3	K60	D58-K60 PolarHBondContact O-N 2.87Å
59	T	94.7	Very high	90.6	Very high	66 Å²	66	70.1 Å²	70.1	41%	0.405	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.8	-175.4	-54	0	0	0	0	110.9	T57 Y71 Q72	T57-T59 PolarHBondContact O-N 3.26Å; T57-T59 VanDerWaalsContact O-N 3.09Å; T59-Y71 HydrophobicContact CG2-CD1 3.67Å; T59-Y71 HydrophobicContact CG2-CG 3.91Å; T59-Q72 CarbonylContact C-O 3.56Å; T59-Q72 VanDerWaalsContact CA-O 3.26Å; T59-Q72 WeakPolarHBondContact CA-O 3.18Å
60	K	96.3	Very high	90.8	Very high	109 Å²	109	67.2 Å²	67.2	47%	0.474	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.2	175.5	65.3	179.6	179.8	-177	0	111.5	D58 I62 Y71 Q72	D58-K60 PolarHBondContact O-N 2.87Å; K60-I62 HydrophobicContact CG-CG2 4.26Å; K60-I62 PolarHBondContact O-N 2.85Å; K60-Y71 CarbonylContact O-C 3.43Å; K60-Y71 WeakPolarHBondContact O-CA 3.49Å; K60-Q72 HydrophobicContact CG-CB 3.95Å; K60-Q72 PolarHBondContact N-O 3.15Å; K60-Q72 PolarHBondContact O-N 3.22Å
61	V	96.4	Very high	91	Very high	77 Å²	77	60.8 Å²	60.8	47%	0.467	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.3	176.4	179.1	0	0	0	0	109.5	V69 Y71	V61-V69 HydrophobicContact CG1-CG1 3.9Å; V61-V69 HydrophobicContact CG2-CG1 4.06Å; V61-Y71 HydrophobicContact CG2-CD1 3.74Å; V61-Y71 HydrophobicContact CG2-CE1 3.51Å
62	I	94.2	Very high	91.1	Very high	78 Å²	78	57.7 Å²	57.7	40%	0.4	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-11.4	176.9	60.3	168.4	0	0	0	113.1	K60 V70 Q72 Y134	K60-I62 HydrophobicContact CG-CG2 4.26Å; K60-I62 PolarHBondContact O-N 2.85Å; I62-V70 HydrophobicContact CD1-CG1 3.96Å; I62-V70 HydrophobicContact CG1-CB 4.24Å; I62-V70 HydrophobicContact CG1-CG1 3.88Å; I62-V70 WeakPolarHBondContact CG1-O 3.45Å; I62-V70 PolarHBondContact N-O 3.24Å; I62-Q72 HydrophobicContact CD1-CB 4.15Å; I62-Q72 HydrophobicContact CG1-CB 4.49Å; I62-Q72 HydrophobicContact CG2-CB 3.63Å; I62-Y134 HydrophobicContact CD1-CD2 4.28Å; I62-Y134 HydrophobicContact CD1-CE2 3.94Å
63	G	89.6	Confident	91.3	Very high	27 Å²	27	53.7 Å²	53.7	28%	0.278	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	144.9	176.3	0	0	0	0	0	112.4	V70	G63-V70 PolarHBondContact N-O 3.39Å; G63-V70 PolarHBondContact O-N 2.91Å
64	N	85.3	Confident	91.4	Very high	124 Å²	124	51.6 Å²	51.6	66%	0.663	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.8	173.8	-78.1	-41.8	0	0	0	108.7	V69	N64-V69 WeakPolarHBondContact OD1-CG1 3.26Å; N64-V69 WeakPolarHBondContact OD1-CG2 3.49Å
65	G	72.4	Confident	91.4	Very high	53 Å²	53	51.7 Å²	51.7	55%	0.546	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	176.2	178.4	0	0	0	0	0	112.3	F67 G68	G65-F67 PolarHBondContact O-N 2.88Å; G65-G68 PolarHBondContact N-O 3.4Å; G65-G68 PolarHBondContact O-N 2.9Å
66	S	68.4	Low	91.4	Very high	80 Å²	80	53.2 Å²	53.2	56%	0.559	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.2	179.5	51.1	0	0	0	0	114.1
67	F	73	Confident	91.3	Very high	57 Å²	57	59.6 Å²	59.6	25%	0.25	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-11.1	-176.3	-56.2	-70	0	0	0	113.6	R6 G65 V87	R6-F67 HydrophobicContact CB-CZ 3.86Å; R6-F67 VanDerWaalsContact O-CE1 3.28Å; R6-F67 WeakPolarHBondContact O-CE1 3.4Å; R6-F67 WeakPolarHBondContact O-CZ 3.24Å; G65-F67 PolarHBondContact O-N 2.88Å; F67-V87 WeakPolarHBondContact O-CG1 3.42Å
68	G	85.3	Confident	91.2	Very high	24 Å²	24	62.1 Å²	62.1	25%	0.247	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.4	-162.4	-177.5	0	0	0	0	0	114.3	G65 K86	G65-G68 PolarHBondContact N-O 3.4Å; G65-G68 PolarHBondContact O-N 2.9Å; G68-K86 VanDerWaalsContact CA-O 3.3Å; G68-K86 WeakPolarHBondContact CA-O 3.39Å
69	V	93.8	Very high	91.4	Very high	36 Å²	36	59.2 Å²	59.2	22%	0.218	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.9	-175.1	-175.9	0	0	0	0	109.2	V61 N64 Y71 K86	V61-V69 HydrophobicContact CG1-CG1 3.9Å; V61-V69 HydrophobicContact CG2-CG1 4.06Å; N64-V69 WeakPolarHBondContact OD1-CG1 3.26Å; N64-V69 WeakPolarHBondContact OD1-CG2 3.49Å; V69-Y71 HydrophobicContact CB-CE2 3.8Å; V69-Y71 HydrophobicContact CG1-CD1 4.4Å; V69-Y71 HydrophobicContact CG1-CD2 4.13Å; V69-Y71 HydrophobicContact CG1-CE1 3.88Å; V69-Y71 HydrophobicContact CG1-CE2 3.55Å; V69-Y71 VanDerWaalsContact CG1-CZ 3.41Å; V69-K86 PolarHBondContact N-O 2.67Å; V69-K86 VanDerWaalsContact N-O 3.07Å; V69-K86 PolarHBondContact O-N 3.09Å
70	V	96.6	Very high	91.6	Very high	41 Å²	41	60 Å²	60	25%	0.248	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.3	172.9	-171.8	0	0	0	0	108.8	I62 G63 A83 I84 K85	I62-V70 HydrophobicContact CD1-CG1 3.96Å; I62-V70 HydrophobicContact CG1-CB 4.24Å; I62-V70 HydrophobicContact CG1-CG1 3.88Å; I62-V70 WeakPolarHBondContact CG1-O 3.45Å; I62-V70 PolarHBondContact N-O 3.24Å; G63-V70 PolarHBondContact N-O 3.39Å; G63-V70 PolarHBondContact O-N 2.91Å; V70-A83 HydrophobicContact CG1-CB 4.27Å; V70-I84 WeakPolarHBondContact CA-O 3.18Å; V70-K85 HydrophobicContact CG2-CB 4.4Å; V70-K85 HydrophobicContact CG2-CG 4.1Å
71	Y	97.7	Very high	91.7	Very high	57 Å²	57	58.2 Å²	58.2	22%	0.224	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.7	175.7	-54.5	-93.4	0	0	0	110.3	T59 K60 V61 V69 A83 I84 K86	T59-Y71 HydrophobicContact CG2-CD1 3.67Å; T59-Y71 HydrophobicContact CG2-CG 3.91Å; K60-Y71 CarbonylContact O-C 3.43Å; K60-Y71 WeakPolarHBondContact O-CA 3.49Å; V61-Y71 HydrophobicContact CG2-CD1 3.74Å; V61-Y71 HydrophobicContact CG2-CE1 3.51Å; V69-Y71 HydrophobicContact CB-CE2 3.8Å; V69-Y71 HydrophobicContact CG1-CD1 4.4Å; V69-Y71 HydrophobicContact CG1-CD2 4.13Å; V69-Y71 HydrophobicContact CG1-CE1 3.88Å; V69-Y71 HydrophobicContact CG1-CE2 3.55Å; V69-Y71 VanDerWaalsContact CG1-CZ 3.41Å; Y71-A83 CarbonylContact O-C 3.56Å; Y71-A83 VanDerWaalsContact O-CA 3.23Å; Y71-A83 WeakPolarHBondContact O-CA 3.5Å; Y71-I84 PolarHBondContact N-O 3.22Å; Y71-I84 PolarHBondContact O-N 2.85Å; Y71-K86 HydrophobicContact CD2-CB 4.46Å; Y71-K86 HydrophobicContact CE2-CB 3.93Å; Y71-K86 HydrophobicContact CE2-CD 4.21Å
72	Q	98.1	Very high	91.8	Very high	19 Å²	19	54.6 Å²	54.6	9%	0.089	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.7	155.5	178.6	-178.4	-27.6	0	0	107.8	T59 K60 I62 L81 V82 Y134	T59-Q72 CarbonylContact C-O 3.56Å; T59-Q72 VanDerWaalsContact CA-O 3.26Å; T59-Q72 WeakPolarHBondContact CA-O 3.18Å; K60-Q72 HydrophobicContact CG-CB 3.95Å; K60-Q72 PolarHBondContact N-O 3.15Å; K60-Q72 PolarHBondContact O-N 3.22Å; I62-Q72 HydrophobicContact CD1-CB 4.15Å; I62-Q72 HydrophobicContact CG1-CB 4.49Å; I62-Q72 HydrophobicContact CG2-CB 3.63Å; Q72-L81 HydrophobicContact CG-CD2 4.33Å; Q72-V82 CarbonylContact C-O 3.56Å; Q72-V82 WeakPolarHBondContact CA-O 3.49Å; Q72-Y134 HydrophobicContact CB-CD2 4.44Å; Q72-Y134 HydrophobicContact CB-CE2 4.25Å; Q72-Y134 HydrophobicContact CG-CD2 4.05Å; Q72-Y134 HydrophobicContact CG-CE2 3.97Å; Q72-Y134 PolarHBondContact OE1-OH 3.42Å
73	A	98.2	Very high	92	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	168.8	170.1	0	0	0	0	0	109.9	Y56 T57 L81 V82 I84	Y56-A73 HydrophobicContact CD2-CB 3.76Å; Y56-A73 HydrophobicContact CG-CB 4.27Å; T57-A73 WeakPolarHBondContact O-CA 3.33Å; A73-L81 WeakPolarHBondContact O-CA 3.33Å; A73-V82 HydrophobicContact CB-CG2 4.08Å; A73-V82 PolarHBondContact N-O 3.36Å; A73-V82 PolarHBondContact O-N 2.93Å; A73-I84 HydrophobicContact CB-CD1 3.81Å; A73-I84 HydrophobicContact CB-CG1 4.41Å
74	K	98.2	Very high	92.4	Very high	86 Å²	86	50.3 Å²	50.3	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.9	175.6	-173.3	-179.7	176.8	-175.7	0	109.5	Y56 T57 G79 E80 L81	Y56-K74 CarbonylContact C-O 3.48Å; Y56-K74 WeakPolarHBondContact CA-O 3.46Å; Y56-K74 VanDerWaalsContact CB-O 3.27Å; Y56-K74 WeakPolarHBondContact CB-O 3.32Å; T57-K74 PolarHBondContact N-O 3.2Å; T57-K74 PolarHBondContact O-N 3.27Å; K74-G79 VanDerWaalsContact CE-O 3.24Å; K74-G79 WeakPolarHBondContact CE-O 3.27Å; K74-G79 WeakPolarHBondContact CG-O 3.12Å; K74-E80 WeakPolarHBondContact CA-O 3.34Å; K74-L81 HydrophobicContact CB-CD2 4.1Å; K74-L81 HydrophobicContact CG-CD2 4.39Å
75	L	97.8	Very high	93	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.3	174.8	-65.2	179.4	0	0	0	109.9	V54 G79 E80 V82	V54-L75 HydrophobicContact CG1-CD2 3.9Å; L75-G79 WeakPolarHBondContact O-CA 3.27Å; L75-G79 PolarHBondContact O-N 2.91Å; L75-E80 PolarHBondContact N-O 3.3Å; L75-V82 HydrophobicContact CD1-CG1 3.81Å; L75-V82 HydrophobicContact CD2-CG1 4.23Å; L75-V82 HydrophobicContact CD2-CG2 4.15Å; L75-V82 HydrophobicContact CG-CG1 3.79Å; L75-V82 HydrophobicContact CG-CG2 4.27Å
76	C	96.3	Very high	94	Very high	55 Å²	55	45.3 Å²	45.3	37%	0.372	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-41.7	-179.1	-65.7	0	0	0	0	112.1	S55	S55-C76 VanDerWaalsContact C-SG 3.5Å; S55-C76 PolarHBondContact O-N 3.2Å
77	D	94.9	Very high	95.2	Very high	149 Å²	149	42 Å²	42	80%	0.797	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-45	-172.3	-57.2	-28.5	0	0	0	112.8
78	S	96.3	Very high	96	Very high	63 Å²	63	42.6 Å²	42.6	44%	0.441	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-15.7	-175.6	66.4	0	0	0	0	114	E80	S78-E80 WeakPolarHBondContact CB-OE2 3.47Å; S78-E80 PolarHBondContact O-N 3.35Å; S78-E80 WeakPolarHBondContact OG-CB 3.44Å; S78-E80 WeakPolarHBondContact OG-CG 3.22Å; S78-E80 PolarHBondContact OG-N 3.43Å; S78-E80 PolarHBondContact OG-OE2 3.07Å
79	G	96.4	Very high	96.2	Very high	32 Å²	32	43.7 Å²	43.7	33%	0.33	24%	0.238	S	C	.	.			trans	69.6	3.3	-170.8	0	0	0	0	0	114.5	K74 L75	K74-G79 VanDerWaalsContact CE-O 3.24Å; K74-G79 WeakPolarHBondContact CE-O 3.27Å; K74-G79 WeakPolarHBondContact CG-O 3.12Å; L75-G79 WeakPolarHBondContact O-CA 3.27Å; L75-G79 PolarHBondContact O-N 2.91Å
80	E	97.7	Very high	95.5	Very high	81 Å²	81	44.1 Å²	44.1	38%	0.379	24%	0.238	S	C	.	.			trans	-71.2	144.8	-179.3	-67.7	170.5	109.9	0	0	111.7	K74 L75 S78 R113	K74-E80 WeakPolarHBondContact CA-O 3.34Å; L75-E80 PolarHBondContact N-O 3.3Å; S78-E80 WeakPolarHBondContact CB-OE2 3.47Å; S78-E80 PolarHBondContact O-N 3.35Å; S78-E80 WeakPolarHBondContact OG-CB 3.44Å; S78-E80 WeakPolarHBondContact OG-CG 3.22Å; S78-E80 PolarHBondContact OG-N 3.43Å; S78-E80 PolarHBondContact OG-OE2 3.07Å; E80-R113 IonicContact OE1-CZ 2.65Å; E80-R113 IonicContact OE1-NH1 2.82Å; E80-R113 PolarHBondContact OE1-NH1 3.11Å; E80-R113 IonicContact OE1-NH2 2.91Å; E80-R113 PolarHBondContact OE1-NH2 3Å; E80-R113 IonicContact OE2-CZ 3.01Å; E80-R113 IonicContact OE2-NH1 3.87Å; E80-R113 PolarHBondContact OE2-NH1 3.37Å; E80-R113 IonicContact OE2-NH2 3.1Å
81	L	98.4	Very high	94.5	Very high	73 Å²	73	49.5 Å²	49.5	38%	0.382	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	139.5	171.9	-66.1	178.4	0	0	0	110.9	Q72 A73 K74 Y134	Q72-L81 HydrophobicContact CG-CD2 4.33Å; A73-L81 WeakPolarHBondContact O-CA 3.33Å; K74-L81 HydrophobicContact CB-CD2 4.1Å; K74-L81 HydrophobicContact CG-CD2 4.39Å; L81-Y134 HydrophobicContact CB-CD1 3.83Å; L81-Y134 HydrophobicContact CB-CG 3.95Å; L81-Y134 HydrophobicContact CD1-CD1 3.95Å; L81-Y134 HydrophobicContact CD1-CE1 4.04Å; L81-Y134 VanDerWaalsContact O-CB 3.3Å; L81-Y134 WeakPolarHBondContact O-CB 3.49Å
82	V	98.7	Very high	93.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.9	175.7	-66.8	0	0	0	0	111	Q72 A73 L75 I84 V131 L132	Q72-V82 CarbonylContact C-O 3.56Å; Q72-V82 WeakPolarHBondContact CA-O 3.49Å; A73-V82 HydrophobicContact CB-CG2 4.08Å; A73-V82 PolarHBondContact N-O 3.36Å; A73-V82 PolarHBondContact O-N 2.93Å; L75-V82 HydrophobicContact CD1-CG1 3.81Å; L75-V82 HydrophobicContact CD2-CG1 4.23Å; L75-V82 HydrophobicContact CD2-CG2 4.15Å; L75-V82 HydrophobicContact CG-CG1 3.79Å; L75-V82 HydrophobicContact CG-CG2 4.27Å; V82-I84 HydrophobicContact CG2-CG1 4.38Å; V82-V131 HydrophobicContact CB-CG1 3.89Å; V82-V131 HydrophobicContact CG1-CG1 4.08Å; V82-V131 HydrophobicContact CG2-CG1 3.97Å; V82-L132 CarbonylContact C-O 3.59Å; V82-L132 WeakPolarHBondContact CA-O 3.21Å; V82-L132 WeakPolarHBondContact CB-O 3.28Å
83	A	98.5	Very high	92.1	Very high	11 Å²	11	56.2 Å²	56.2	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.3	168.1	0	0	0	0	0	109.8	V70 Y71 L132	V70-A83 HydrophobicContact CG1-CB 4.27Å; Y71-A83 CarbonylContact O-C 3.56Å; Y71-A83 VanDerWaalsContact O-CA 3.23Å; Y71-A83 WeakPolarHBondContact O-CA 3.5Å; A83-L132 HydrophobicContact CB-CB 4.31Å; A83-L132 PolarHBondContact N-O 3.06Å; A83-L132 WeakPolarHBondContact O-CB 3.42Å; A83-L132 PolarHBondContact O-N 3.06Å
84	I	98.3	Very high	90.5	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	105.2	177.3	-52.8	178.4	0	0	0	108.4	Y56 V70 Y71 A73 V82 N129 L130 V131	Y56-I84 HydrophobicContact CD1-CD1 4.32Å; Y56-I84 HydrophobicContact CD2-CD1 3.98Å; Y56-I84 HydrophobicContact CE1-CD1 4.09Å; Y56-I84 HydrophobicContact CE2-CD1 3.72Å; Y56-I84 HydrophobicContact CG-CD1 4.27Å; V70-I84 WeakPolarHBondContact CA-O 3.18Å; Y71-I84 PolarHBondContact N-O 3.22Å; Y71-I84 PolarHBondContact O-N 2.85Å; A73-I84 HydrophobicContact CB-CD1 3.81Å; A73-I84 HydrophobicContact CB-CG1 4.41Å; V82-I84 HydrophobicContact CG2-CG1 4.38Å; I84-N129 HydrophobicContact CG2-CB 4.06Å; I84-L130 CarbonylContact C-O 3.24Å; I84-L130 WeakPolarHBondContact CA-O 3.38Å; I84-V131 HydrophobicContact CG1-CG2 4.4Å
85	K	97.1	Very high	89.4	Confident	20 Å²	20	57.8 Å²	57.8	9%	0.087	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	109.6	174.1	-171	-171.2	-166.6	-171.2	0	109.2	V70 V87 E97 N129 L130 L132 D200	V70-K85 HydrophobicContact CG2-CB 4.4Å; V70-K85 HydrophobicContact CG2-CG 4.1Å; K85-V87 HydrophobicContact CD-CG2 4.06Å; K85-V87 HydrophobicContact CG-CG2 3.88Å; K85-E97 IonicContact NZ-OE1 3.59Å; K85-E97 PolarHBondContact NZ-OE1 3.2Å; K85-E97 IonicContact NZ-OE2 2.97Å; K85-E97 PolarHBondContact NZ-OE2 3.01Å; K85-N129 WeakPolarHBondContact O-CA 3.37Å; K85-L130 HydrophobicContact CB-CB 4.3Å; K85-L130 HydrophobicContact CD-CD1 4.43Å; K85-L130 PolarHBondContact N-O 3.18Å; K85-L130 PolarHBondContact O-N 2.78Å; K85-L132 HydrophobicContact CB-CD1 4.04Å; K85-D200 IonicContact NZ-OD1 2.66Å; K85-D200 PolarHBondContact NZ-OD1 2.84Å
86	K	95.1	Very high	89	Confident	52 Å²	52	60.1 Å²	60.1	23%	0.226	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.3	178.8	-176.2	171.1	-175.6	-179	0	110.2	G68 V69 Y71 Y127 L128 N129	G68-K86 VanDerWaalsContact CA-O 3.3Å; G68-K86 WeakPolarHBondContact CA-O 3.39Å; V69-K86 PolarHBondContact N-O 2.67Å; V69-K86 VanDerWaalsContact N-O 3.07Å; V69-K86 PolarHBondContact O-N 3.09Å; Y71-K86 HydrophobicContact CD2-CB 4.46Å; Y71-K86 HydrophobicContact CE2-CB 3.93Å; Y71-K86 HydrophobicContact CE2-CD 4.21Å; K86-Y127 HydrophobicContact CD-CD1 4.22Å; K86-Y127 HydrophobicContact CD-CG 4.37Å; K86-Y127 VanDerWaalsContact CE-CG 3.41Å; K86-Y127 HydrophobicContact CG-CD1 3.66Å; K86-Y127 HydrophobicContact CG-CE1 4.5Å; K86-Y127 HydrophobicContact CG-CG 4.05Å; K86-L128 WeakPolarHBondContact CA-O 3.4Å; K86-N129 VanDerWaalsContact CG-OD1 3.27Å; K86-N129 WeakPolarHBondContact CG-OD1 3.23Å
87	V	92.5	Very high	88.8	Confident	11 Å²	11	57.7 Å²	57.7	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.5	-173.7	178.2	0	0	0	0	110	F67 K85 Q89 Y127 L128	F67-V87 WeakPolarHBondContact O-CG1 3.42Å; K85-V87 HydrophobicContact CD-CG2 4.06Å; K85-V87 HydrophobicContact CG-CG2 3.88Å; V87-Q89 PolarHBondContact O-N 3.42Å; V87-Y127 CarbonylContact O-C 3.55Å; V87-Y127 WeakPolarHBondContact O-CA 3.37Å; V87-L128 PolarHBondContact N-O 3.03Å; V87-L128 PolarHBondContact O-N 3.02Å
88	L	90.1	Very high	88.8	Confident	70 Å²	70	51.5 Å²	51.5	37%	0.366	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	129.2	174.3	-178.7	67.3	0	0	0	109.9	D90 E125 Y127	L88-D90 PolarHBondContact O-N 2.89Å; L88-E125 HydrophobicContact CD1-CB 4.18Å; L88-E125 HydrophobicContact CD1-CG 4.15Å; L88-Y127 HydrophobicContact CB-CD1 4.16Å; L88-Y127 HydrophobicContact CB-CE1 3.82Å; L88-Y127 HydrophobicContact CD1-CD1 4.44Å; L88-Y127 HydrophobicContact CD1-CD2 4.41Å; L88-Y127 HydrophobicContact CD1-CE1 4.03Å; L88-Y127 HydrophobicContact CD1-CE2 3.98Å
89	Q	88.6	Confident	88.7	Confident	47 Å²	47	54.3 Å²	54.3	22%	0.22	26%	0.257	C	S	.	.			trans	-86.1	82.3	173.1	-64.9	-60.8	-69.4	0	0	109.6	V87 K91 N95 Y117 V126 L128	V87-Q89 PolarHBondContact O-N 3.42Å; Q89-K91 PolarHBondContact O-N 3.04Å; Q89-N95 PolarHBondContact NE2-ND2 3.17Å; Q89-Y117 HydrophobicContact CG-CE1 4.22Å; Q89-V126 HydrophobicContact CB-CB 4.46Å; Q89-V126 WeakPolarHBondContact CB-O 3.46Å; Q89-V126 PolarHBondContact N-O 3.48Å; Q89-L128 HydrophobicContact CG-CB 3.84Å
90	D	80.8	Confident	88.8	Confident	44 Å²	44	53.3 Å²	53.3	24%	0.235	24%	0.244	C	C	.	.			trans	-72.7	117	171.7	-173.5	-23.5	0	0	0	109.7	L88 R92 F93	L88-D90 PolarHBondContact O-N 2.89Å; D90-R92 PolarHBondContact O-N 3Å; D90-R92 VanDerWaalsContact OD1-CB 3.28Å; D90-R92 WeakPolarHBondContact OD1-CB 3.29Å; D90-R92 WeakPolarHBondContact OD1-CG 3.44Å; D90-R92 IonicContact OD1-CZ 3.63Å; D90-R92 PolarHBondContact OD1-N 3.07Å; D90-R92 IonicContact OD1-NE 3.39Å; D90-R92 PolarHBondContact OD1-NE 2.96Å; D90-R92 IonicContact OD1-NH2 2.76Å; D90-R92 IonicContact OD2-CZ 3.77Å; D90-R92 IonicContact OD2-NE 2.57Å; D90-R92 PolarHBondContact OD2-NE 3.11Å; D90-R92 VanDerWaalsContact OD2-NE 3.15Å; D90-R92 IonicContact OD2-NH2 2.69Å; D90-R92 PolarHBondContact OD2-NH2 2.8Å; D90-F93 HydrophobicContact CB-CD2 3.91Å; D90-F93 PolarHBondContact O-N 3.15Å; D90-F93 VanDerWaalsContact O-O 3.09Å
91	K	75.1	Confident	88.8	Confident	155 Å²	155	49.7 Å²	49.7	67%	0.674	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.4	-179	-64.1	178.6	-179.1	174.9	0	113.3	Q89 F93	Q89-K91 PolarHBondContact O-N 3.04Å; K91-F93 VanDerWaalsContact C-N 3.34Å
92	R	74.8	Confident	88.7	Confident	162 Å²	162	49.7 Å²	49.7	61%	0.611	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-18.6	179.2	-60.7	174	-67.8	-175.8	1.3	113.3	A11 D90	A11-R92 WeakPolarHBondContact CB-O 3.21Å; A11-R92 PolarHBondContact N-O 3.29Å; D90-R92 PolarHBondContact O-N 3Å; D90-R92 VanDerWaalsContact OD1-CB 3.28Å; D90-R92 WeakPolarHBondContact OD1-CB 3.29Å; D90-R92 WeakPolarHBondContact OD1-CG 3.44Å; D90-R92 IonicContact OD1-CZ 3.63Å; D90-R92 PolarHBondContact OD1-N 3.07Å; D90-R92 IonicContact OD1-NE 3.39Å; D90-R92 PolarHBondContact OD1-NE 2.96Å; D90-R92 IonicContact OD1-NH2 2.76Å; D90-R92 IonicContact OD2-CZ 3.77Å; D90-R92 IonicContact OD2-NE 2.57Å; D90-R92 PolarHBondContact OD2-NE 3.11Å; D90-R92 VanDerWaalsContact OD2-NE 3.15Å; D90-R92 IonicContact OD2-NH2 2.69Å; D90-R92 PolarHBondContact OD2-NH2 2.8Å
93	F	69.5	Low	88.6	Confident	54 Å²	54	55.7 Å²	55.7	24%	0.237	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-119.7	138.5	-175.2	-60.3	-72.5	0	0	0	111.3	T7 T8 F10 D90 K91 N95	T7-F93 HydrophobicContact CG2-CD1 4.22Å; T7-F93 HydrophobicContact CG2-CE1 3.33Å; T7-F93 HydrophobicContact CG2-CE2 4.38Å; T7-F93 HydrophobicContact CG2-CZ 3.43Å; T7-F93 VanDerWaalsContact CG2-CZ 3.43Å; T8-F93 WeakPolarHBondContact O-CD1 3.22Å; F10-F93 HydrophobicContact CD1-CE1 4.24Å; F10-F93 HydrophobicContact CE1-CE1 4.17Å; F10-F93 HydrophobicContact CE1-CZ 4.35Å; D90-F93 HydrophobicContact CB-CD2 3.91Å; D90-F93 PolarHBondContact O-N 3.15Å; D90-F93 VanDerWaalsContact O-O 3.09Å; K91-F93 VanDerWaalsContact C-N 3.34Å; F93-N95 PolarHBondContact O-N 3.4Å
94	K	64.8	Low	88.6	Confident	77 Å²	77	55.4 Å²	55.4	34%	0.335	25%	0.246	S	C	.	.			trans	-81.4	109.1	173.3	-67.7	-179	-179.2	169.3	0	108.8	A11 E12 R96	A11-K94 HydrophobicContact CB-CG 4.1Å; E12-K94 PolarHBondContact O-NZ 3.4Å; E12-K94 VanDerWaalsContact O-NZ 3.16Å; K94-R96 PolarHBondContact O-N 3.25Å
95	N	74.8	Confident	88.6	Confident	44 Å²	44	60.7 Å²	60.7	24%	0.235	27%	0.274	C	S	.	.			trans	-78.7	101.3	169.9	-169.1	-38	0	0	0	109.4	Q89 F93 E97	Q89-N95 PolarHBondContact NE2-ND2 3.17Å; F93-N95 PolarHBondContact O-N 3.4Å; N95-E97 WeakPolarHBondContact OD1-CB 3.28Å; N95-E97 PolarHBondContact OD1-N 2.89Å
96	R	89.5	Confident	88.7	Confident	58 Å²	58	60.6 Å²	60.6	22%	0.219	27%	0.273	C	S	.	.			trans	-88.4	-8.9	177.5	-61.6	-179.5	-177.4	122.1	-0.9	112.8	K94 L98 Q99 I100	K94-R96 PolarHBondContact O-N 3.25Å; R96-L98 PolarHBondContact O-N 3.11Å; R96-Q99 PolarHBondContact O-N 2.92Å; R96-I100 HydrophobicContact CB-CD1 4.15Å; R96-I100 WeakPolarHBondContact O-CB 3.26Å; R96-I100 WeakPolarHBondContact O-CG1 3.45Å; R96-I100 PolarHBondContact O-N 2.89Å
97	E	93.6	Very high	88.9	Confident	5 Å²	5	60.1 Å²	60.1	2%	0.023	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-49.7	-172.2	-173.9	167.7	-163	0	0	110.9	K85 N95 Q99 I100 M101 L130 F201	K85-E97 IonicContact NZ-OE1 3.59Å; K85-E97 PolarHBondContact NZ-OE1 3.2Å; K85-E97 IonicContact NZ-OE2 2.97Å; K85-E97 PolarHBondContact NZ-OE2 3.01Å; N95-E97 WeakPolarHBondContact OD1-CB 3.28Å; N95-E97 PolarHBondContact OD1-N 2.89Å; E97-Q99 PolarHBondContact O-N 2.87Å; E97-I100 PolarHBondContact O-N 2.87Å; E97-M101 HydrophobicContact CG-CG 4.33Å; E97-M101 HydrophobicContact CG-SD 4.19Å; E97-M101 WeakPolarHBondContact O-CB 3.24Å; E97-M101 VanDerWaalsContact O-CG 3.29Å; E97-M101 WeakPolarHBondContact O-CG 3.36Å; E97-M101 PolarHBondContact O-N 3.31Å; E97-L130 HydrophobicContact CG-CD1 3.83Å; E97-F201 HydrophobicContact CG-CB 4.01Å; E97-F201 PolarHBondContact OE1-N 2.93Å
98	L	94.3	Very high	89.2	Confident	19 Å²	19	59.8 Å²	59.8	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-51.4	176.6	177.5	61.2	0	0	0	111.7	R96 I100 M101 R102 L112 F115 L128 L130	R96-L98 PolarHBondContact O-N 3.11Å; L98-I100 PolarHBondContact O-N 2.66Å; L98-M101 PolarHBondContact O-N 2.9Å; L98-R102 HydrophobicContact CD1-CG 3.86Å; L98-R102 HydrophobicContact CG-CG 4.37Å; L98-R102 VanDerWaalsContact O-CG 3.29Å; L98-R102 WeakPolarHBondContact O-CG 3.23Å; L98-R102 PolarHBondContact O-N 2.96Å; L98-L112 HydrophobicContact CD1-CD2 3.84Å; L98-F115 HydrophobicContact CD1-CB 3.84Å; L98-F115 HydrophobicContact CD1-CD1 3.67Å; L98-F115 HydrophobicContact CD1-CD2 3.93Å; L98-F115 HydrophobicContact CD1-CE1 4.17Å; L98-F115 HydrophobicContact CD1-CE2 4.41Å; L98-F115 HydrophobicContact CD1-CG 3.53Å; L98-F115 HydrophobicContact CD2-CD2 3.72Å; L98-F115 HydrophobicContact CD2-CE2 3.83Å; L98-F115 HydrophobicContact CD2-CG 4.22Å; L98-F115 HydrophobicContact CD2-CZ 4.39Å; L98-F115 HydrophobicContact CG-CD2 4.5Å; L98-L128 HydrophobicContact CB-CD2 4.04Å; L98-L128 HydrophobicContact CD2-CD1 4.08Å; L98-L130 HydrophobicContact CB-CD2 4.39Å; L98-L130 HydrophobicContact CD1-CD2 3.86Å
99	Q	94.9	Very high	89.6	Confident	121 Å²	121	56.7 Å²	56.7	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-60.4	-35.7	-177.3	-67.9	-179.9	-22.8	0	0	112.7	R96 E97	R96-Q99 PolarHBondContact O-N 2.92Å; E97-Q99 PolarHBondContact O-N 2.87Å
100	I	97.4	Very high	90.1	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.062	25%	0.249	C	C	.	.	H	α-helix	trans	-70.8	-55.8	175	-74	170.4	0	0	0	109.4	R96 E97 L98 R102 K103 L104 I177 F201 A204	R96-I100 HydrophobicContact CB-CD1 4.15Å; R96-I100 WeakPolarHBondContact O-CB 3.26Å; R96-I100 WeakPolarHBondContact O-CG1 3.45Å; R96-I100 PolarHBondContact O-N 2.89Å; E97-I100 PolarHBondContact O-N 2.87Å; L98-I100 PolarHBondContact O-N 2.66Å; I100-R102 VanDerWaalsContact C-N 3.27Å; I100-R102 PolarHBondContact O-N 3.07Å; I100-K103 WeakPolarHBondContact O-CB 3.37Å; I100-K103 PolarHBondContact O-N 3.08Å; I100-L104 HydrophobicContact CG2-CD1 3.86Å; I100-L104 HydrophobicContact CG2-CG 4.35Å; I100-L104 WeakPolarHBondContact O-CG 3.36Å; I100-I177 HydrophobicContact CD1-CG2 4.3Å; I100-I177 HydrophobicContact CG2-CD1 4.18Å; I100-I177 HydrophobicContact CG2-CG2 4.16Å; I100-F201 HydrophobicContact CG2-CB 4.3Å; I100-F201 HydrophobicContact CG2-CD1 3.71Å; I100-F201 HydrophobicContact CG2-CE1 4.42Å; I100-F201 HydrophobicContact CG2-CG 4.22Å; I100-A204 HydrophobicContact CD1-CB 3.65Å
101	M	98	Very high	90.9	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.02	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-32.4	-173.7	-70.5	-160.1	73.5	0	0	113.8	E97 L98 K103 L104 V110 L112 L130 L132 F201	E97-M101 HydrophobicContact CG-CG 4.33Å; E97-M101 HydrophobicContact CG-SD 4.19Å; E97-M101 WeakPolarHBondContact O-CB 3.24Å; E97-M101 VanDerWaalsContact O-CG 3.29Å; E97-M101 WeakPolarHBondContact O-CG 3.36Å; E97-M101 PolarHBondContact O-N 3.31Å; L98-M101 PolarHBondContact O-N 2.9Å; M101-K103 PolarHBondContact O-N 2.6Å; M101-L104 PolarHBondContact O-N 2.85Å; M101-V110 HydrophobicContact CE-CG1 4.02Å; M101-V110 WeakPolarHBondContact CE-O 3.28Å; M101-L112 HydrophobicContact CB-CB 4.26Å; M101-L112 HydrophobicContact CB-CD2 4.04Å; M101-L112 HydrophobicContact CE-CB 4.16Å; M101-L130 HydrophobicContact SD-CD1 4.29Å; M101-L132 HydrophobicContact CE-CD2 3.31Å; M101-L132 HydrophobicContact SD-CD2 3.96Å; M101-F201 HydrophobicContact CE-CD2 4.38Å; M101-F201 HydrophobicContact CG-CB 4.07Å; M101-F201 HydrophobicContact CG-CD2 4.02Å; M101-F201 HydrophobicContact CG-CG 4.19Å; M101-F201 HydrophobicContact SD-CD2 4.25Å
102	R	96.9	Very high	92	Very high	73 Å²	73	50 Å²	50	28%	0.275	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22	174.9	-69.9	-166.2	67.9	-171.1	-0.5	114	G45 D49 L98 I100 L112	G45-R102 WeakPolarHBondContact O-CA 3.35Å; G45-R102 WeakPolarHBondContact O-CB 3.39Å; G45-R102 VanDerWaalsContact O-CG 3.24Å; G45-R102 WeakPolarHBondContact O-CG 3.36Å; G45-R102 PolarHBondContact O-NE 3.09Å; D49-R102 IonicContact OD1-CZ 2.65Å; D49-R102 IonicContact OD1-NH1 3.69Å; D49-R102 PolarHBondContact OD1-NH1 2.7Å; D49-R102 IonicContact OD1-NH2 3.95Å; D49-R102 PolarHBondContact OD1-NH2 3.29Å; D49-R102 IonicContact OD2-CZ 2.71Å; D49-R102 IonicContact OD2-NH1 3.88Å; D49-R102 PolarHBondContact OD2-NH1 3.31Å; D49-R102 IonicContact OD2-NH2 3.22Å; L98-R102 HydrophobicContact CD1-CG 3.86Å; L98-R102 HydrophobicContact CG-CG 4.37Å; L98-R102 VanDerWaalsContact O-CG 3.29Å; L98-R102 WeakPolarHBondContact O-CG 3.23Å; L98-R102 PolarHBondContact O-N 2.96Å; I100-R102 VanDerWaalsContact C-N 3.27Å; I100-R102 PolarHBondContact O-N 3.07Å; R102-L112 HydrophobicContact CG-CD2 3.91Å
103	K	96.7	Very high	93.1	Very high	126 Å²	126	43.8 Å²	43.8	55%	0.548	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-12.2	178.2	-60.9	177.5	-177.5	-174.5	0	113.1	I100 M101	I100-K103 WeakPolarHBondContact O-CB 3.37Å; I100-K103 PolarHBondContact O-N 3.08Å; M101-K103 PolarHBondContact O-N 2.6Å
104	L	98.1	Very high	94.5	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	20%	0.199	C	C	.	.			trans	-97.4	128.3	-172.1	-54.2	-178.3	0	0	0	110.4	Q46 I100 M101 I109 Y171 I172 I177 F201	Q46-L104 PolarHBondContact NE2-O 2.99Å; Q46-L104 VanDerWaalsContact NE2-O 3.09Å; I100-L104 HydrophobicContact CG2-CD1 3.86Å; I100-L104 HydrophobicContact CG2-CG 4.35Å; I100-L104 WeakPolarHBondContact O-CG 3.36Å; M101-L104 PolarHBondContact O-N 2.85Å; L104-I109 HydrophobicContact CB-CG2 4.46Å; L104-I109 HydrophobicContact CD1-CD1 4.32Å; L104-I109 HydrophobicContact CD1-CG2 4.25Å; L104-Y171 HydrophobicContact CB-CE1 4.26Å; L104-Y171 HydrophobicContact CD2-CD1 4.41Å; L104-Y171 HydrophobicContact CD2-CE1 3.86Å; L104-I172 HydrophobicContact CD1-CG2 4.16Å; L104-I172 HydrophobicContact CD2-CG2 4.07Å; L104-I177 HydrophobicContact CD2-CD1 4.17Å; L104-F201 HydrophobicContact CD1-CD1 3.94Å; L104-F201 HydrophobicContact CD1-CE1 3.42Å; L104-F201 VanDerWaalsContact CD1-CE1 3.42Å; L104-F201 HydrophobicContact CD1-CE2 4.07Å; L104-F201 HydrophobicContact CD1-CG 4.45Å; L104-F201 HydrophobicContact CD1-CZ 3.49Å; L104-F201 VanDerWaalsContact CD1-CZ 3.49Å
105	D	98.1	Very high	96	Very high	114 Å²	114	40.9 Å²	40.9	61%	0.61	19%	0.187	S	C	*	.			trans	-143.7	98.1	171.2	-174	19.4	0	0	0	109	Y171	D105-Y171 PolarHBondContact N-OH 2.66Å; D105-Y171 PolarHBondContact O-OH 3.09Å
106	H	98.8	Very high	97	Very high	18 Å²	18	39.1 Å²	39.1	8%	0.083	18%	0.177	C	C	.	.			trans	-152.8	142.3	-175.7	-174.7	-96.7	0	0	0	111.1	N108 I109 Y171 E379	H106-N108 PolarHBondContact CE1-OD1 2.92Å; H106-N108 PolarHBondContact ND1-N 2.76Å; H106-N108 PolarHBondContact O-N 3.18Å; H106-I109 HydrophobicContact CB-CB 4.29Å; H106-I109 HydrophobicContact CB-CD1 3.95Å; H106-I109 HydrophobicContact CB-CG1 4.07Å; H106-I109 PolarHBondContact O-N 3.4Å; H106-Y171 HydrophobicContact CB-CD1 3.79Å; H106-Y171 HydrophobicContact CB-CD2 4.18Å; H106-Y171 HydrophobicContact CB-CE1 3.84Å; H106-Y171 HydrophobicContact CB-CE2 4.24Å; H106-Y171 HydrophobicContact CB-CG 3.94Å; H106-Y171 AromaticContact CD2-CD2 3.79Å; H106-Y171 AromaticContact CD2-CG 3.9Å; H106-Y171 AromaticContact CG-CG 3.93Å; H106-E379 IonicContact CD2-OE1 3.86Å; H106-E379 IonicContact CD2-OE2 3.15Å; H106-E379 IonicContact NE2-OE1 3.73Å; H106-E379 PolarHBondContact NE2-OE1 3Å; H106-E379 VanDerWaalsContact NE2-OE1 3.09Å; H106-E379 IonicContact NE2-OE2 3.34Å
107	C	98.7	Very high	97.2	Very high	43 Å²	43	39.3 Å²	39.3	29%	0.291	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.1	-175.4	63.7	0	0	0	0	113.7	K197	C107-K197 PolarHBondContact O-NZ 2.78Å
108	N	98.9	Very high	97.2	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	19.8	176.9	-55	121	0	0	0	114.8	H106 Q164 S168 L196 K197 L198	H106-N108 PolarHBondContact CE1-OD1 2.92Å; H106-N108 PolarHBondContact ND1-N 2.76Å; H106-N108 PolarHBondContact O-N 3.18Å; N108-Q164 HydrophobicContact CB-CB 4.43Å; N108-Q164 WeakPolarHBondContact ND2-CB 3.33Å; N108-Q164 WeakPolarHBondContact ND2-CG 3.49Å; N108-Q164 PolarHBondContact ND2-OE1 3.41Å; N108-S168 WeakPolarHBondContact O-CB 3.27Å; N108-L196 VanDerWaalsContact CA-O 3.27Å; N108-L196 WeakPolarHBondContact CA-O 3.33Å; N108-L196 WeakPolarHBondContact CB-O 3.46Å; N108-L196 PolarHBondContact ND2-O 2.84Å; N108-K197 WeakPolarHBondContact O-CA 3.28Å; N108-L198 PolarHBondContact O-N 3.37Å
109	I	98.9	Very high	97	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.026	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-122.4	141.4	171.6	-61.5	178.2	0	0	0	108.1	L104 H106 R111 Y171 I172 F201	L104-I109 HydrophobicContact CB-CG2 4.46Å; L104-I109 HydrophobicContact CD1-CD1 4.32Å; L104-I109 HydrophobicContact CD1-CG2 4.25Å; H106-I109 HydrophobicContact CB-CB 4.29Å; H106-I109 HydrophobicContact CB-CD1 3.95Å; H106-I109 HydrophobicContact CB-CG1 4.07Å; H106-I109 PolarHBondContact O-N 3.4Å; I109-R111 PolarHBondContact O-N 3.17Å; I109-Y171 HydrophobicContact CD1-CD1 3.55Å; I109-Y171 HydrophobicContact CD1-CE1 4.07Å; I109-I172 HydrophobicContact CD1-CG2 3.5Å; I109-I172 VanDerWaalsContact CD1-CG2 3.5Å; I109-F201 HydrophobicContact CD1-CZ 4.42Å; I109-F201 HydrophobicContact CG2-CE2 3.71Å; I109-F201 HydrophobicContact CG2-CZ 3.77Å
110	V	98.7	Very high	96.5	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.036	19%	0.185	C	C	.	.			trans	-66.5	127.8	176	70.2	0	0	0	0	109.8	M101 L132 D133 L188 K197 L198 C199	M101-V110 HydrophobicContact CE-CG1 4.02Å; M101-V110 WeakPolarHBondContact CE-O 3.28Å; V110-L132 HydrophobicContact CG1-CD2 4.22Å; V110-L132 HydrophobicContact CG2-CB 4.15Å; V110-D133 HydrophobicContact CG2-CB 4.22Å; V110-D133 WeakPolarHBondContact CG2-O 3.27Å; V110-L188 HydrophobicContact CB-CD1 4.25Å; V110-L188 HydrophobicContact CG2-CD1 4.17Å; V110-K197 HydrophobicContact CB-CB 4.45Å; V110-L198 WeakPolarHBondContact CG1-O 3.47Å; V110-L198 PolarHBondContact N-O 3.25Å; V110-C199 HydrophobicContact CB-CB 4.27Å; V110-C199 HydrophobicContact CG1-CB 3.6Å
111	R	98.6	Very high	95.7	Very high	98 Å²	98	46.7 Å²	46.7	37%	0.37	23%	0.227	S	C	.	.			trans	-77.5	132.2	-176.4	-169.6	172.8	63.1	133.5	-2.5	110.5	I109 R113 L132 D133	I109-R111 PolarHBondContact O-N 3.17Å; R111-R113 PolarHBondContact O-N 2.94Å; R111-L132 VanDerWaalsContact O-CA 3.28Å; R111-L132 WeakPolarHBondContact O-CA 3.28Å; R111-D133 VanDerWaalsContact CB-OD2 3.22Å; R111-D133 WeakPolarHBondContact CB-OD2 3.49Å; R111-D133 IonicContact NE-OD1 3.09Å; R111-D133 IonicContact NE-OD2 2.7Å; R111-D133 IonicContact NH2-OD1 2.84Å; R111-D133 PolarHBondContact O-N 3.27Å
112	L	98.6	Very high	95	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	106.3	162.9	-179.6	66.1	0	0	0	109.1	G45 Q46 L98 M101 R102 Y114 L130 L132	G45-L112 WeakPolarHBondContact CA-O 3.44Å; Q46-L112 PolarHBondContact OE1-O 3.13Å; L98-L112 HydrophobicContact CD1-CD2 3.84Å; M101-L112 HydrophobicContact CB-CB 4.26Å; M101-L112 HydrophobicContact CB-CD2 4.04Å; M101-L112 HydrophobicContact CE-CB 4.16Å; R102-L112 HydrophobicContact CG-CD2 3.91Å; L112-Y114 VanDerWaalsContact CD1-O 3.22Å; L112-Y114 WeakPolarHBondContact CD1-O 3.42Å; L112-L130 HydrophobicContact CD1-CB 3.86Å; L112-L130 HydrophobicContact CD1-CD2 3.95Å; L112-L130 HydrophobicContact CD1-CG 4.45Å; L112-L132 HydrophobicContact CB-CD2 4.45Å; L112-L132 HydrophobicContact CD1-CD2 4.17Å
113	R	98.2	Very high	93.9	Very high	33 Å²	33	58.8 Å²	58.8	13%	0.125	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-51.5	174.9	-66.2	-164	175.7	-140.2	1.2	111.4	G45 E80 R111 V131 D133	G45-R113 PolarHBondContact N-O 3.19Å; E80-R113 IonicContact OE1-CZ 2.65Å; E80-R113 IonicContact OE1-NH1 2.82Å; E80-R113 PolarHBondContact OE1-NH1 3.11Å; E80-R113 IonicContact OE1-NH2 2.91Å; E80-R113 PolarHBondContact OE1-NH2 3Å; E80-R113 IonicContact OE2-CZ 3.01Å; E80-R113 IonicContact OE2-NH1 3.87Å; E80-R113 PolarHBondContact OE2-NH1 3.37Å; E80-R113 IonicContact OE2-NH2 3.1Å; R111-R113 PolarHBondContact O-N 2.94Å; R113-V131 WeakPolarHBondContact CA-O 3.48Å; R113-V131 PolarHBondContact N-O 2.9Å; R113-D133 IonicContact CZ-OD1 3.17Å; R113-D133 VanDerWaalsContact CZ-OD1 3.28Å; R113-D133 IonicContact NE-OD1 3.17Å; R113-D133 PolarHBondContact NE-OD1 2.98Å; R113-D133 IonicContact NH2-OD1 3.56Å; R113-D133 PolarHBondContact NH2-OD1 3.03Å; R113-D133 VanDerWaalsContact NH2-OD1 3.09Å
114	Y	97.9	Very high	93.3	Very high	52 Å²	52	59 Å²	59	20%	0.204	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	163.9	-176.7	-46.7	-70.6	0	0	0	111.3	T43 V54 L112 V131	T43-Y114 CarbonylContact O-C 3.46Å; T43-Y114 WeakPolarHBondContact O-CA 3.43Å; V54-Y114 HydrophobicContact CG1-CD2 4.33Å; V54-Y114 HydrophobicContact CG1-CE2 4.42Å; V54-Y114 HydrophobicContact CG2-CD1 4.37Å; V54-Y114 HydrophobicContact CG2-CD2 4.2Å; V54-Y114 HydrophobicContact CG2-CE2 4.31Å; V54-Y114 HydrophobicContact CG2-CG 4.23Å; L112-Y114 VanDerWaalsContact CD1-O 3.22Å; L112-Y114 WeakPolarHBondContact CD1-O 3.42Å; Y114-V131 HydrophobicContact CD2-CB 4.19Å; Y114-V131 HydrophobicContact CD2-CG1 4.06Å; Y114-V131 PolarHBondContact N-O 2.97Å; Y114-V131 PolarHBondContact O-N 3.15Å
115	F	97.3	Very high	92.8	Very high	17 Å²	17	60.7 Å²	60.7	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.4	164.1	68.3	-82	0	0	0	111.1	A42 T43 L98 Y117 L128 N129 L130	A42-F115 WeakPolarHBondContact CA-O 3.41Å; T43-F115 HydrophobicContact CG2-CE1 3.57Å; T43-F115 HydrophobicContact CG2-CZ 3.62Å; T43-F115 PolarHBondContact N-O 3.37Å; T43-F115 WeakPolarHBondContact O-CD1 3.46Å; T43-F115 PolarHBondContact O-N 2.77Å; L98-F115 HydrophobicContact CD1-CB 3.84Å; L98-F115 HydrophobicContact CD1-CD1 3.67Å; L98-F115 HydrophobicContact CD1-CD2 3.93Å; L98-F115 HydrophobicContact CD1-CE1 4.17Å; L98-F115 HydrophobicContact CD1-CE2 4.41Å; L98-F115 HydrophobicContact CD1-CG 3.53Å; L98-F115 HydrophobicContact CD2-CD2 3.72Å; L98-F115 HydrophobicContact CD2-CE2 3.83Å; L98-F115 HydrophobicContact CD2-CG 4.22Å; L98-F115 HydrophobicContact CD2-CZ 4.39Å; L98-F115 HydrophobicContact CG-CD2 4.5Å; F115-Y117 HydrophobicContact CD2-CE2 4.36Å; F115-Y117 HydrophobicContact CE2-CE2 4.36Å; F115-L128 HydrophobicContact CB-CD1 4.33Å; F115-L128 HydrophobicContact CD2-CD1 4.35Å; F115-N129 WeakPolarHBondContact CA-O 3.5Å; F115-L130 HydrophobicContact CB-CD2 4Å
116	F	95.8	Very high	92.4	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.035	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	160.2	175	64.6	-87.2	0	0	0	111	M26 V40 A42 Y56 N129 V131	M26-F116 HydrophobicContact CE-CE2 3.79Å; M26-F116 HydrophobicContact CE-CZ 4.39Å; V40-F116 HydrophobicContact CB-CD2 4.19Å; V40-F116 HydrophobicContact CB-CE2 4.37Å; V40-F116 HydrophobicContact CB-CG 4.31Å; V40-F116 HydrophobicContact CG1-CD2 4.07Å; V40-F116 HydrophobicContact CG1-CE2 3.82Å; V40-F116 HydrophobicContact CG1-CZ 4.15Å; V40-F116 HydrophobicContact CG2-CD1 3.88Å; V40-F116 HydrophobicContact CG2-CD2 4.33Å; V40-F116 HydrophobicContact CG2-CE1 3.97Å; V40-F116 HydrophobicContact CG2-CE2 4.42Å; V40-F116 HydrophobicContact CG2-CG 4.07Å; V40-F116 HydrophobicContact CG2-CZ 4.23Å; A42-F116 HydrophobicContact CB-CB 3.94Å; A42-F116 HydrophobicContact CB-CD1 4.12Å; A42-F116 HydrophobicContact CB-CG 4.43Å; Y56-F116 HydrophobicContact CE1-CZ 4.41Å; F116-N129 HydrophobicContact CD1-CB 3.88Å; F116-N129 HydrophobicContact CD2-CB 3.93Å; F116-N129 HydrophobicContact CE1-CB 3.52Å; F116-N129 HydrophobicContact CE2-CB 3.57Å; F116-N129 VanDerWaalsContact CE2-CG 3.4Å; F116-N129 VanDerWaalsContact CE2-ND2 3.28Å; F116-N129 WeakPolarHBondContact CE2-ND2 3.3Å; F116-N129 HydrophobicContact CG-CB 4.07Å; F116-N129 HydrophobicContact CZ-CB 3.36Å; F116-N129 PolarHBondContact N-O 3.47Å; F116-N129 WeakPolarHBondContact O-CB 3.33Å; F116-N129 PolarHBondContact O-N 3.23Å; F116-N129 PolarHBondContact O-ND2 3.28Å; F116-V131 HydrophobicContact CD1-CG2 4.07Å; F116-V131 HydrophobicContact CE1-CG2 3.73Å
117	Y	93.4	Very high	92	Very high	62 Å²	62	57.6 Å²	57.6	24%	0.243	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145.1	176	-66.7	-89.9	0	0	0	110.6	P20 Q89 F115 V126 Y127 L128	P20-Y117 HydrophobicContact CG-CD2 4.05Å; P20-Y117 HydrophobicContact CG-CE2 3.98Å; Q89-Y117 HydrophobicContact CG-CE1 4.22Å; F115-Y117 HydrophobicContact CD2-CE2 4.36Å; F115-Y117 HydrophobicContact CE2-CE2 4.36Å; Y117-V126 HydrophobicContact CD1-CG1 3.82Å; Y117-Y127 CarbonylContact C-O 3.57Å; Y117-Y127 VanDerWaalsContact CA-O 3.26Å; Y117-Y127 WeakPolarHBondContact CA-O 3.42Å; Y117-L128 HydrophobicContact CD1-CB 4.44Å; Y117-L128 HydrophobicContact CD1-CD1 4.49Å; Y117-L128 HydrophobicContact CE1-CB 4.18Å; Y117-L128 HydrophobicContact CE1-CD1 4.01Å; Y117-L128 HydrophobicContact CE2-CD1 4.44Å
118	S	92.3	Very high	91.8	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.063	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.1	176	64.5	0	0	0	0	110.8	Y127 N129	S118-Y127 PolarHBondContact N-O 3.25Å; S118-Y127 PolarHBondContact O-N 2.82Å; S118-N129 PolarHBondContact OG-ND2 3.33Å
119	S	90.1	Very high	91.7	Very high	76 Å²	76	55.7 Å²	55.7	53%	0.531	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	149	173.8	-52	0	0	0	0	112.2	E125	S119-E125 CarbonylContact C-O 3.6Å
120	G	84.4	Confident	91.6	Very high	23 Å²	23	55.4 Å²	55.4	24%	0.237	26%	0.263	C	S	.	.			trans	-82.9	-176	171	0	0	0	0	0	113.6	E125	G120-E125 PolarHBondContact N-O 3.15Å
121	E	81.3	Confident	91.6	Very high	204 Å²	204	55.3 Å²	55.3	95%	0.953	26%	0.262	S	S	*	.	S	Bend	trans	-71.5	-35.2	172.7	-66.9	-177.5	178.3	0	0	111.3
122	K	83.1	Confident	91.6	Very high	140 Å²	140	51.4 Å²	51.4	61%	0.609	25%	0.249	S	C	*	.	S	Bend	trans	-85.8	144.7	175.6	-54.7	-170.4	-157.9	120.9	0	111	D124 E125	K122-D124 PolarHBondContact O-N 2.92Å; K122-E125 HydrophobicContact CB-CG 3.94Å; K122-E125 VanDerWaalsContact CD-OE1 3.3Å; K122-E125 WeakPolarHBondContact CD-OE1 3.44Å; K122-E125 WeakPolarHBondContact CE-OE1 3.49Å; K122-E125 IonicContact NZ-OE1 3.62Å; K122-E125 PolarHBondContact NZ-OE1 2.57Å; K122-E125 PolarHBondContact O-N 3.24Å; K122-E125 VanDerWaalsContact O-N 3.12Å
123	K	74.4	Confident	91.6	Very high	191 Å²	191	52.5 Å²	52.5	83%	0.83	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	130.2	168.4	-159.6	173.7	-179.8	-178.9	0	108.3	E125	K123-E125 PolarHBondContact O-N 3.06Å
124	D	82.8	Confident	91.6	Very high	131 Å²	131	54.1 Å²	54.1	70%	0.701	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-2.9	-177.8	-45.4	-42.8	0	0	0	117.7	K122 V126	K122-D124 PolarHBondContact O-N 2.92Å; D124-V126 PolarHBondContact O-N 3.23Å
125	E	87.9	Confident	91.7	Very high	40 Å²	40	52.7 Å²	52.7	19%	0.187	26%	0.258	C	S	.	.			trans	-75.7	122.1	170.3	-77.5	179	179.4	0	0	110.2	L88 S119 G120 K122 K123 Y127	L88-E125 HydrophobicContact CD1-CB 4.18Å; L88-E125 HydrophobicContact CD1-CG 4.15Å; S119-E125 CarbonylContact C-O 3.6Å; G120-E125 PolarHBondContact N-O 3.15Å; K122-E125 HydrophobicContact CB-CG 3.94Å; K122-E125 VanDerWaalsContact CD-OE1 3.3Å; K122-E125 WeakPolarHBondContact CD-OE1 3.44Å; K122-E125 WeakPolarHBondContact CE-OE1 3.49Å; K122-E125 IonicContact NZ-OE1 3.62Å; K122-E125 PolarHBondContact NZ-OE1 2.57Å; K122-E125 PolarHBondContact O-N 3.24Å; K122-E125 VanDerWaalsContact O-N 3.12Å; K123-E125 PolarHBondContact O-N 3.06Å; E125-Y127 HydrophobicContact CB-CE2 4.2Å
126	V	89.8	Confident	91.6	Very high	14 Å²	14	54.3 Å²	54.3	9%	0.085	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.2	176.3	178.9	0	0	0	0	108.6	F23 Q89 Y117 D124	F23-V126 HydrophobicContact CE1-CB 4.3Å; F23-V126 HydrophobicContact CE1-CG1 3.76Å; F23-V126 HydrophobicContact CE1-CG2 3.53Å; F23-V126 HydrophobicContact CZ-CG2 3.56Å; Q89-V126 HydrophobicContact CB-CB 4.46Å; Q89-V126 WeakPolarHBondContact CB-O 3.46Å; Q89-V126 PolarHBondContact N-O 3.48Å; Y117-V126 HydrophobicContact CD1-CG1 3.82Å; D124-V126 PolarHBondContact O-N 3.23Å
127	Y	92	Very high	91.8	Very high	53 Å²	53	56 Å²	56	21%	0.208	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.4	174.6	-69.6	-95.9	0	0	0	110.4	K86 V87 L88 Y117 S118 E125	K86-Y127 HydrophobicContact CD-CD1 4.22Å; K86-Y127 HydrophobicContact CD-CG 4.37Å; K86-Y127 VanDerWaalsContact CE-CG 3.41Å; K86-Y127 HydrophobicContact CG-CD1 3.66Å; K86-Y127 HydrophobicContact CG-CE1 4.5Å; K86-Y127 HydrophobicContact CG-CG 4.05Å; V87-Y127 CarbonylContact O-C 3.55Å; V87-Y127 WeakPolarHBondContact O-CA 3.37Å; L88-Y127 HydrophobicContact CB-CD1 4.16Å; L88-Y127 HydrophobicContact CB-CE1 3.82Å; L88-Y127 HydrophobicContact CD1-CD1 4.44Å; L88-Y127 HydrophobicContact CD1-CD2 4.41Å; L88-Y127 HydrophobicContact CD1-CE1 4.03Å; L88-Y127 HydrophobicContact CD1-CE2 3.98Å; Y117-Y127 CarbonylContact C-O 3.57Å; Y117-Y127 VanDerWaalsContact CA-O 3.26Å; Y117-Y127 WeakPolarHBondContact CA-O 3.42Å; S118-Y127 PolarHBondContact N-O 3.25Å; S118-Y127 PolarHBondContact O-N 2.82Å; E125-Y127 HydrophobicContact CB-CE2 4.2Å
128	L	93.8	Very high	92	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.3	164.5	171.7	64.1	0	0	0	108.1	K86 V87 Q89 L98 F115 Y117 L130	K86-L128 WeakPolarHBondContact CA-O 3.4Å; V87-L128 PolarHBondContact N-O 3.03Å; V87-L128 PolarHBondContact O-N 3.02Å; Q89-L128 HydrophobicContact CG-CB 3.84Å; L98-L128 HydrophobicContact CB-CD2 4.04Å; L98-L128 HydrophobicContact CD2-CD1 4.08Å; F115-L128 HydrophobicContact CB-CD1 4.33Å; F115-L128 HydrophobicContact CD2-CD1 4.35Å; Y117-L128 HydrophobicContact CD1-CB 4.44Å; Y117-L128 HydrophobicContact CD1-CD1 4.49Å; Y117-L128 HydrophobicContact CE1-CB 4.18Å; Y117-L128 HydrophobicContact CE1-CD1 4.01Å; Y117-L128 HydrophobicContact CE2-CD1 4.44Å; L128-L130 HydrophobicContact CD1-CD2 4.02Å; L128-L130 HydrophobicContact CD2-CD2 4.02Å; L128-L130 HydrophobicContact CD2-CG 4.44Å; L128-L130 HydrophobicContact CG-CD2 3.95Å; L128-L130 HydrophobicContact CG-CG 4.31Å
129	N	96.4	Very high	92.3	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.8	176.2	-55.8	-89.7	0	0	0	108.2	I84 K85 K86 F115 F116 S118	I84-N129 HydrophobicContact CG2-CB 4.06Å; K85-N129 WeakPolarHBondContact O-CA 3.37Å; K86-N129 VanDerWaalsContact CG-OD1 3.27Å; K86-N129 WeakPolarHBondContact CG-OD1 3.23Å; F115-N129 WeakPolarHBondContact CA-O 3.5Å; F116-N129 HydrophobicContact CD1-CB 3.88Å; F116-N129 HydrophobicContact CD2-CB 3.93Å; F116-N129 HydrophobicContact CE1-CB 3.52Å; F116-N129 HydrophobicContact CE2-CB 3.57Å; F116-N129 VanDerWaalsContact CE2-CG 3.4Å; F116-N129 VanDerWaalsContact CE2-ND2 3.28Å; F116-N129 WeakPolarHBondContact CE2-ND2 3.3Å; F116-N129 HydrophobicContact CG-CB 4.07Å; F116-N129 HydrophobicContact CZ-CB 3.36Å; F116-N129 PolarHBondContact N-O 3.47Å; F116-N129 WeakPolarHBondContact O-CB 3.33Å; F116-N129 PolarHBondContact O-N 3.23Å; F116-N129 PolarHBondContact O-ND2 3.28Å; S118-N129 PolarHBondContact OG-ND2 3.33Å
130	L	97.6	Very high	92.7	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.1	175.1	-55.8	177.7	0	0	0	108.5	I84 K85 E97 L98 M101 L112 F115 L128 L132	I84-L130 CarbonylContact C-O 3.24Å; I84-L130 WeakPolarHBondContact CA-O 3.38Å; K85-L130 HydrophobicContact CB-CB 4.3Å; K85-L130 HydrophobicContact CD-CD1 4.43Å; K85-L130 PolarHBondContact N-O 3.18Å; K85-L130 PolarHBondContact O-N 2.78Å; E97-L130 HydrophobicContact CG-CD1 3.83Å; L98-L130 HydrophobicContact CB-CD2 4.39Å; L98-L130 HydrophobicContact CD1-CD2 3.86Å; M101-L130 HydrophobicContact SD-CD1 4.29Å; L112-L130 HydrophobicContact CD1-CB 3.86Å; L112-L130 HydrophobicContact CD1-CD2 3.95Å; L112-L130 HydrophobicContact CD1-CG 4.45Å; F115-L130 HydrophobicContact CB-CD2 4Å; L128-L130 HydrophobicContact CD1-CD2 4.02Å; L128-L130 HydrophobicContact CD2-CD2 4.02Å; L128-L130 HydrophobicContact CD2-CG 4.44Å; L128-L130 HydrophobicContact CG-CD2 3.95Å; L128-L130 HydrophobicContact CG-CG 4.31Å; L130-L132 HydrophobicContact CB-CD1 4.36Å; L130-L132 HydrophobicContact CB-CG 4.32Å
131	V	98.4	Very high	93.3	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.1	175.7	-172.2	0	0	0	0	108.3	V82 I84 R113 Y114 F116	V82-V131 HydrophobicContact CB-CG1 3.89Å; V82-V131 HydrophobicContact CG1-CG1 4.08Å; V82-V131 HydrophobicContact CG2-CG1 3.97Å; I84-V131 HydrophobicContact CG1-CG2 4.4Å; R113-V131 WeakPolarHBondContact CA-O 3.48Å; R113-V131 PolarHBondContact N-O 2.9Å; Y114-V131 HydrophobicContact CD2-CB 4.19Å; Y114-V131 HydrophobicContact CD2-CG1 4.06Å; Y114-V131 PolarHBondContact N-O 2.97Å; Y114-V131 PolarHBondContact O-N 3.15Å; F116-V131 HydrophobicContact CD1-CG2 4.07Å; F116-V131 HydrophobicContact CE1-CG2 3.73Å
132	L	98.7	Very high	94.1	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.089	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.1	-168.6	-59.2	153.3	0	0	0	109.9	V82 A83 K85 M101 V110 R111 L112 L130 Y134	V82-L132 CarbonylContact C-O 3.59Å; V82-L132 WeakPolarHBondContact CA-O 3.21Å; V82-L132 WeakPolarHBondContact CB-O 3.28Å; A83-L132 HydrophobicContact CB-CB 4.31Å; A83-L132 PolarHBondContact N-O 3.06Å; A83-L132 WeakPolarHBondContact O-CB 3.42Å; A83-L132 PolarHBondContact O-N 3.06Å; K85-L132 HydrophobicContact CB-CD1 4.04Å; M101-L132 HydrophobicContact CE-CD2 3.31Å; M101-L132 HydrophobicContact SD-CD2 3.96Å; V110-L132 HydrophobicContact CG1-CD2 4.22Å; V110-L132 HydrophobicContact CG2-CB 4.15Å; R111-L132 VanDerWaalsContact O-CA 3.28Å; R111-L132 WeakPolarHBondContact O-CA 3.28Å; L112-L132 HydrophobicContact CB-CD2 4.45Å; L112-L132 HydrophobicContact CD1-CD2 4.17Å; L130-L132 HydrophobicContact CB-CD1 4.36Å; L130-L132 HydrophobicContact CB-CG 4.32Å; L132-Y134 PolarHBondContact O-N 2.79Å
133	D	98.6	Very high	94.7	Very high	24 Å²	24	44.6 Å²	44.6	13%	0.128	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	133.1	165.1	-75.6	-20.6	0	0	0	110	V110 R111 R113	V110-D133 HydrophobicContact CG2-CB 4.22Å; V110-D133 WeakPolarHBondContact CG2-O 3.27Å; R111-D133 VanDerWaalsContact CB-OD2 3.22Å; R111-D133 WeakPolarHBondContact CB-OD2 3.49Å; R111-D133 IonicContact NE-OD1 3.09Å; R111-D133 IonicContact NE-OD2 2.7Å; R111-D133 IonicContact NH2-OD1 2.84Å; R111-D133 PolarHBondContact O-N 3.27Å; R113-D133 IonicContact CZ-OD1 3.17Å; R113-D133 VanDerWaalsContact CZ-OD1 3.28Å; R113-D133 IonicContact NE-OD1 3.17Å; R113-D133 PolarHBondContact NE-OD1 2.98Å; R113-D133 IonicContact NH2-OD1 3.56Å; R113-D133 PolarHBondContact NH2-OD1 3.03Å; R113-D133 VanDerWaalsContact NH2-OD1 3.09Å
134	Y	98.5	Very high	95.7	Very high	67 Å²	67	40.9 Å²	40.9	26%	0.263	19%	0.192	S	C	.	.			trans	-80	136.1	173.3	177.8	-100.6	0	0	0	110.7	I62 Q72 L81 L132 P136	I62-Y134 HydrophobicContact CD1-CD2 4.28Å; I62-Y134 HydrophobicContact CD1-CE2 3.94Å; Q72-Y134 HydrophobicContact CB-CD2 4.44Å; Q72-Y134 HydrophobicContact CB-CE2 4.25Å; Q72-Y134 HydrophobicContact CG-CD2 4.05Å; Q72-Y134 HydrophobicContact CG-CE2 3.97Å; Q72-Y134 PolarHBondContact OE1-OH 3.42Å; L81-Y134 HydrophobicContact CB-CD1 3.83Å; L81-Y134 HydrophobicContact CB-CG 3.95Å; L81-Y134 HydrophobicContact CD1-CD1 3.95Å; L81-Y134 HydrophobicContact CD1-CE1 4.04Å; L81-Y134 VanDerWaalsContact O-CB 3.3Å; L81-Y134 WeakPolarHBondContact O-CB 3.49Å; L132-Y134 PolarHBondContact O-N 2.79Å; Y134-P136 HydrophobicContact CE1-CB 3.99Å
135	V	98.3	Very high	96.4	Very high	21 Å²	21	40.7 Å²	40.7	13%	0.127	19%	0.187	C	C	.	.			trans	-133.9	128.1	175.2	-175.7	0	0	0	0	107.6	L188 L189 K197	V135-L188 HydrophobicContact CB-CB 3.69Å; V135-L188 HydrophobicContact CB-CD1 3.94Å; V135-L188 HydrophobicContact CB-CG 4.38Å; V135-L188 HydrophobicContact CG1-CB 3.56Å; V135-L188 HydrophobicContact CG2-CB 4.17Å; V135-L188 HydrophobicContact CG2-CD1 4.01Å; V135-L189 WeakPolarHBondContact CG1-O 3.46Å; V135-K197 HydrophobicContact CG2-CD 3.91Å
136	P	97	Very high	96.8	Very high	51 Å²	51	41.1 Å²	41.1	33%	0.331	19%	0.187	S	C	.	.			trans	-78.5	-28.9	-159.9	28.2	-36	0	0	0	115.3	Y134 R141	Y134-P136 HydrophobicContact CE1-CB 3.99Å; P136-R141 PolarHBondContact O-NH1 3.17Å; P136-R141 VanDerWaalsContact O-NH1 3.11Å
137	E	98.1	Very high	97	Very high	44 Å²	44	43 Å²	43	21%	0.206	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	169.7	-174.6	-79.9	-63.6	165.5	0	0	112.8	R141 V142 L188 L189 P191	E137-R141 VanDerWaalsContact CD-CZ 3.44Å; E137-R141 IonicContact OE1-CZ 2.79Å; E137-R141 IonicContact OE1-NE 2.66Å; E137-R141 IonicContact OE1-NH1 3.86Å; E137-R141 IonicContact OE1-NH2 3.17Å; E137-R141 PolarHBondContact OE1-NH2 3.05Å; E137-R141 WeakPolarHBondContact OE2-CB 3.43Å; E137-R141 WeakPolarHBondContact OE2-CD 3.29Å; E137-R141 IonicContact OE2-CZ 3.41Å; E137-R141 IonicContact OE2-NE 3.39Å; E137-R141 PolarHBondContact OE2-NE 2.99Å; E137-R141 IonicContact OE2-NH1 3.09Å; E137-R141 IonicContact OE2-NH2 3.42Å; E137-V142 HydrophobicContact CB-CG2 4.32Å; E137-L188 CarbonylContact O-C 3.6Å; E137-L188 WeakPolarHBondContact O-CA 3.47Å; E137-L189 HydrophobicContact CB-CB 4.15Å; E137-L189 WeakPolarHBondContact CB-O 3.41Å; E137-L189 PolarHBondContact N-O 3Å; E137-L189 VanDerWaalsContact N-O 3.09Å; E137-L189 PolarHBondContact O-N 3.11Å; E137-P191 HydrophobicContact CB-CG 3.92Å; E137-P191 HydrophobicContact CG-CG 3.63Å
138	T	98.5	Very high	97.1	Very high	24 Å²	24	49 Å²	49	15%	0.147	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.9	169.9	67.1	0	0	0	0	110.5	Y140 R141 V142 L187 L188	T138-Y140 PolarHBondContact O-N 3.42Å; T138-R141 PolarHBondContact O-N 3.29Å; T138-R141 PolarHBondContact OG1-N 3.37Å; T138-V142 PolarHBondContact O-N 3.18Å; T138-L187 CarbonylContact C-O 3.59Å; T138-L187 VanDerWaalsContact CA-O 3.22Å; T138-L187 WeakPolarHBondContact CA-O 3.33Å; T138-L188 HydrophobicContact CG2-CD2 3.87Å
139	V	98.6	Very high	97.2	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-53.4	-38.4	173.2	176	0	0	0	0	110.4	R141 V142 A143 P184 L187 L189 L196 L250	V139-R141 PolarHBondContact O-N 2.78Å; V139-V142 PolarHBondContact O-N 3.1Å; V139-A143 WeakPolarHBondContact O-CB 3.47Å; V139-A143 PolarHBondContact O-N 3.09Å; V139-P184 HydrophobicContact CB-CB 4.22Å; V139-P184 HydrophobicContact CG1-CB 4.08Å; V139-P184 PolarHBondContact N-O 2.97Å; V139-L187 HydrophobicContact CB-CB 3.91Å; V139-L187 HydrophobicContact CB-CD1 4.29Å; V139-L187 HydrophobicContact CG2-CB 3.4Å; V139-L187 VanDerWaalsContact CG2-CB 3.4Å; V139-L187 HydrophobicContact CG2-CD1 3.97Å; V139-L187 HydrophobicContact CG2-CG 4.33Å; V139-L187 PolarHBondContact N-O 3Å; V139-L189 HydrophobicContact CB-CD1 4.31Å; V139-L189 HydrophobicContact CG2-CD1 3.72Å; V139-L189 HydrophobicContact CG2-CD2 3.99Å; V139-L189 HydrophobicContact CG2-CG 3.8Å; V139-L196 HydrophobicContact CG2-CD1 3.89Å; V139-L250 HydrophobicContact CG1-CD1 4.34Å; V139-L250 HydrophobicContact CG1-CD2 3.75Å; V139-L250 HydrophobicContact CG1-CG 4.45Å
140	Y	97.9	Very high	97.1	Very high	80 Å²	80	60.7 Å²	60.7	31%	0.314	28%	0.283	S	S	.	.	H	α-helix	trans	-57	-50.3	175.3	177	-104.7	0	0	0	113.1	T138 R144 P184 Q185	T138-Y140 PolarHBondContact O-N 3.42Å; Y140-R144 VanDerWaalsContact O-CB 3.23Å; Y140-R144 WeakPolarHBondContact O-CB 3.27Å; Y140-R144 PolarHBondContact O-N 3.36Å; Y140-P184 PolarHBondContact N-O 3.31Å; Y140-Q185 HydrophobicContact CD1-CG 4.22Å; Y140-Q185 HydrophobicContact CD2-CG 4.19Å; Y140-Q185 VanDerWaalsContact CD2-NE2 3.25Å; Y140-Q185 HydrophobicContact CG-CG 3.83Å
141	R	97.6	Very high	96.9	Very high	129 Å²	129	66.2 Å²	66.2	49%	0.487	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-42.9	-178.2	-75.2	174.1	63.3	-171.6	-6.1	111.2	P136 E137 T138 V139 R144 H145	P136-R141 PolarHBondContact O-NH1 3.17Å; P136-R141 VanDerWaalsContact O-NH1 3.11Å; E137-R141 VanDerWaalsContact CD-CZ 3.44Å; E137-R141 IonicContact OE1-CZ 2.79Å; E137-R141 IonicContact OE1-NE 2.66Å; E137-R141 IonicContact OE1-NH1 3.86Å; E137-R141 IonicContact OE1-NH2 3.17Å; E137-R141 PolarHBondContact OE1-NH2 3.05Å; E137-R141 WeakPolarHBondContact OE2-CB 3.43Å; E137-R141 WeakPolarHBondContact OE2-CD 3.29Å; E137-R141 IonicContact OE2-CZ 3.41Å; E137-R141 IonicContact OE2-NE 3.39Å; E137-R141 PolarHBondContact OE2-NE 2.99Å; E137-R141 IonicContact OE2-NH1 3.09Å; E137-R141 IonicContact OE2-NH2 3.42Å; T138-R141 PolarHBondContact O-N 3.29Å; T138-R141 PolarHBondContact OG1-N 3.37Å; V139-R141 PolarHBondContact O-N 2.78Å; R141-R144 PolarHBondContact O-N 3.06Å; R141-H145 PolarHBondContact O-N 2.89Å
142	V	97.7	Very high	96.5	Very high	24 Å²	24	67.9 Å²	67.9	15%	0.145	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-51.1	177	174.2	0	0	0	0	110.8	E137 T138 V139 R144 H145 Y146 L153 L189	E137-V142 HydrophobicContact CB-CG2 4.32Å; T138-V142 PolarHBondContact O-N 3.18Å; V139-V142 PolarHBondContact O-N 3.1Å; V142-R144 VanDerWaalsContact C-N 3.29Å; V142-R144 PolarHBondContact O-N 2.94Å; V142-H145 WeakPolarHBondContact O-CB 3.47Å; V142-H145 PolarHBondContact O-N 3.37Å; V142-H145 VanDerWaalsContact O-N 3.11Å; V142-Y146 HydrophobicContact CG1-CD2 4.25Å; V142-Y146 HydrophobicContact CG1-CE2 4.12Å; V142-Y146 WeakPolarHBondContact O-CD2 3.29Å; V142-Y146 PolarHBondContact O-N 2.92Å; V142-L153 HydrophobicContact CG1-CD1 3.84Å; V142-L189 HydrophobicContact CB-CD1 4.19Å; V142-L189 HydrophobicContact CG2-CD1 3.81Å
143	A	96.7	Very high	96.3	Very high	15 Å²	15	67.4 Å²	67.4	12%	0.124	32%	0.317	C	S	.	.	H	α-helix	trans	-59.1	-40.9	178.1	0	0	0	0	0	112	V139 H145 Y146 S147 L250	V139-A143 WeakPolarHBondContact O-CB 3.47Å; V139-A143 PolarHBondContact O-N 3.09Å; A143-H145 VanDerWaalsContact C-N 3.34Å; A143-H145 PolarHBondContact O-N 3.04Å; A143-Y146 PolarHBondContact O-N 2.87Å; A143-S147 WeakPolarHBondContact O-CB 3.42Å; A143-S147 PolarHBondContact O-N 3.12Å; A143-L250 HydrophobicContact CB-CD2 3.95Å
144	R	95.9	Very high	96.3	Very high	113 Å²	113	68.6 Å²	68.6	43%	0.426	33%	0.326	S	S	.	.	H	α-helix	trans	-63.9	-35.8	176.4	-172	-179.2	-175.7	-170.4	6.7	112.8	Y140 R141 V142 R148	Y140-R144 VanDerWaalsContact O-CB 3.23Å; Y140-R144 WeakPolarHBondContact O-CB 3.27Å; Y140-R144 PolarHBondContact O-N 3.36Å; R141-R144 PolarHBondContact O-N 3.06Å; V142-R144 VanDerWaalsContact C-N 3.29Å; V142-R144 PolarHBondContact O-N 2.94Å; R144-R148 VanDerWaalsContact CZ-NH2 3.33Å; R144-R148 WeakPolarHBondContact O-CB 3.48Å; R144-R148 WeakPolarHBondContact O-CG 3.2Å; R144-R148 PolarHBondContact O-N 3.23Å
145	H	96.9	Very high	96.3	Very high	127 Å²	127	67.5 Å²	67.5	59%	0.588	33%	0.326	S	S	*	.	H	α-helix	trans	-60.4	-51.5	175.1	174.3	82.8	0	0	0	111	R141 V142 A143 R148 A149	R141-H145 PolarHBondContact O-N 2.89Å; V142-H145 WeakPolarHBondContact O-CB 3.47Å; V142-H145 PolarHBondContact O-N 3.37Å; V142-H145 VanDerWaalsContact O-N 3.11Å; A143-H145 VanDerWaalsContact C-N 3.34Å; A143-H145 PolarHBondContact O-N 3.04Å; H145-R148 PolarHBondContact O-N 3.41Å; H145-A149 PolarHBondContact O-N 3.35Å; H145-A149 VanDerWaalsContact O-N 3.13Å
146	Y	95.9	Very high	96.3	Very high	49 Å²	49	67.4 Å²	67.4	19%	0.192	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-45.6	176.9	-79	-88	0	0	0	112.2	V142 A143 R148 A149 K150 Q151 T152 L153 P154	V142-Y146 HydrophobicContact CG1-CD2 4.25Å; V142-Y146 HydrophobicContact CG1-CE2 4.12Å; V142-Y146 WeakPolarHBondContact O-CD2 3.29Å; V142-Y146 PolarHBondContact O-N 2.92Å; A143-Y146 PolarHBondContact O-N 2.87Å; Y146-R148 PolarHBondContact O-N 3.04Å; Y146-A149 CarbonylContact O-C 3.18Å; Y146-A149 WeakPolarHBondContact O-CA 3.39Å; Y146-A149 WeakPolarHBondContact O-CB 3.36Å; Y146-A149 PolarHBondContact O-N 3.09Å; Y146-K150 PolarHBondContact O-N 3.31Å; Y146-K150 VanDerWaalsContact O-N 3.17Å; Y146-Q151 CarbonylContact C-O 3.59Å; Y146-Q151 HydrophobicContact CD1-CB 3.9Å; Y146-Q151 CarbonylContact O-C 3.52Å; Y146-Q151 PolarHBondContact O-N 2.75Å; Y146-T152 WeakPolarHBondContact CD1-O 3.37Å; Y146-L153 HydrophobicContact CD2-CD1 3.79Å; Y146-L153 HydrophobicContact CE2-CD1 3.47Å; Y146-L153 VanDerWaalsContact CE2-CD1 3.47Å; Y146-P154 HydrophobicContact CE1-CG 4.32Å
147	S	93.9	Very high	96.4	Very high	55 Å²	55	66.5 Å²	66.5	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-57.9	-44.6	179	-176.9	0	0	0	0	112.2	A143 A149 K150 G253	A143-S147 WeakPolarHBondContact O-CB 3.42Å; A143-S147 PolarHBondContact O-N 3.12Å; S147-A149 VanDerWaalsContact C-N 3.31Å; S147-A149 PolarHBondContact O-N 3.06Å; S147-K150 WeakPolarHBondContact O-CA 3.44Å; S147-K150 PolarHBondContact O-N 2.8Å; S147-G253 WeakPolarHBondContact CB-O 3.35Å; S147-G253 PolarHBondContact OG-O 2.7Å
148	R	94.9	Very high	96.4	Very high	178 Å²	178	64.4 Å²	64.4	67%	0.672	31%	0.305	S	S	*	.	H	α-helix	trans	-63.3	-34.9	174.7	-78	174.4	164.3	-179.7	-10.6	113.2	R144 H145 Y146 K150	R144-R148 VanDerWaalsContact CZ-NH2 3.33Å; R144-R148 WeakPolarHBondContact O-CB 3.48Å; R144-R148 WeakPolarHBondContact O-CG 3.2Å; R144-R148 PolarHBondContact O-N 3.23Å; H145-R148 PolarHBondContact O-N 3.41Å; Y146-R148 PolarHBondContact O-N 3.04Å; R148-K150 PolarHBondContact O-N 2.88Å
149	A	95.9	Very high	96.4	Very high	51 Å²	51	64.5 Å²	64.5	42%	0.421	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	3.3	174	0	0	0	0	0	113.2	H145 Y146 S147 Q151	H145-A149 PolarHBondContact O-N 3.35Å; H145-A149 VanDerWaalsContact O-N 3.13Å; Y146-A149 CarbonylContact O-C 3.18Å; Y146-A149 WeakPolarHBondContact O-CA 3.39Å; Y146-A149 WeakPolarHBondContact O-CB 3.36Å; Y146-A149 PolarHBondContact O-N 3.09Å; S147-A149 VanDerWaalsContact C-N 3.31Å; S147-A149 PolarHBondContact O-N 3.06Å; A149-Q151 HydrophobicContact CB-CB 4.41Å; A149-Q151 HydrophobicContact CB-CG 4.28Å; A149-Q151 PolarHBondContact O-N 2.76Å; A149-Q151 VanDerWaalsContact O-N 3.14Å
150	K	93	Very high	96.4	Very high	201 Å²	201	64.4 Å²	64.4	87%	0.874	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	28.3	-171.9	-57.7	-178.6	179.9	179.9	0	112.8	Y146 S147 R148	Y146-K150 PolarHBondContact O-N 3.31Å; Y146-K150 VanDerWaalsContact O-N 3.17Å; S147-K150 WeakPolarHBondContact O-CA 3.44Å; S147-K150 PolarHBondContact O-N 2.8Å; R148-K150 PolarHBondContact O-N 2.88Å
151	Q	93.4	Very high	96.5	Very high	115 Å²	115	61 Å²	61	54%	0.537	29%	0.29	S	S	.	.			trans	-109	169.6	174.1	-68.2	-179.6	-3.8	0	0	108.9	Y146 A149	Y146-Q151 CarbonylContact C-O 3.59Å; Y146-Q151 HydrophobicContact CD1-CB 3.9Å; Y146-Q151 CarbonylContact O-C 3.52Å; Y146-Q151 PolarHBondContact O-N 2.75Å; A149-Q151 HydrophobicContact CB-CB 4.41Å; A149-Q151 HydrophobicContact CB-CG 4.28Å; A149-Q151 PolarHBondContact O-N 2.76Å; A149-Q151 VanDerWaalsContact O-N 3.14Å
152	T	90.4	Very high	96.6	Very high	39 Å²	39	54.9 Å²	54.9	24%	0.239	27%	0.267	C	S	.	.			trans	-119.6	150.4	171.1	57	0	0	0	0	109.3	Y146 R319	Y146-T152 WeakPolarHBondContact CD1-O 3.37Å; T152-R319 VanDerWaalsContact CB-CZ 3.46Å; T152-R319 VanDerWaalsContact CB-NH1 3.32Å; T152-R319 PolarHBondContact OG1-NH1 3.3Å; T152-R319 PolarHBondContact OG1-NH2 3.27Å
153	L	95.5	Very high	96.6	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.031	26%	0.26	C	S	.	.			trans	-53.4	130	174.8	-171.5	67.5	0	0	0	110	V142 Y146 V155 Y157 V158 Y161 L250	V142-L153 HydrophobicContact CG1-CD1 3.84Å; Y146-L153 HydrophobicContact CD2-CD1 3.79Å; Y146-L153 HydrophobicContact CE2-CD1 3.47Å; Y146-L153 VanDerWaalsContact CE2-CD1 3.47Å; L153-V155 PolarHBondContact O-N 3.22Å; L153-Y157 HydrophobicContact CD1-CD2 4.16Å; L153-Y157 HydrophobicContact CD1-CG 4.35Å; L153-V158 HydrophobicContact CB-CG2 4.28Å; L153-V158 HydrophobicContact CD2-CG2 4.03Å; L153-V158 HydrophobicContact CG-CG2 4.28Å; L153-Y161 HydrophobicContact CD2-CD2 3.91Å; L153-Y161 HydrophobicContact CD2-CE2 3.85Å; L153-L250 HydrophobicContact CD2-CD2 4.01Å
154	P	97.4	Very high	96.7	Very high	50 Å²	50	53.1 Å²	53.1	33%	0.325	25%	0.254	S	S	.	.			trans	-52.9	139	174	-28.7	34.4	0	0	0	111.4	Y146 I156 Y157 V158	Y146-P154 HydrophobicContact CE1-CG 4.32Å; P154-I156 HydrophobicContact CB-CG2 4.22Å; P154-I156 PolarHBondContact O-N 2.89Å; P154-I156 VanDerWaalsContact O-N 3.17Å; P154-Y157 HydrophobicContact CB-CD2 3.94Å; P154-Y157 HydrophobicContact CB-CE2 4.47Å; P154-Y157 HydrophobicContact CG-CD2 4.03Å; P154-Y157 HydrophobicContact CG-CE2 4.31Å; P154-Y157 PolarHBondContact O-N 2.88Å; P154-V158 PolarHBondContact O-N 3.31Å
155	V	98.3	Very high	96.9	Very high	43 Å²	43	47.7 Å²	47.7	26%	0.261	23%	0.234	S	C	.	.	H	α-helix	trans	-58.3	-35.1	-171.7	176.1	0	0	0	0	112	L153 Y157 V158 K159 P323 F352	L153-V155 PolarHBondContact O-N 3.22Å; V155-Y157 VanDerWaalsContact C-N 3.28Å; V155-Y157 PolarHBondContact O-N 3.11Å; V155-V158 WeakPolarHBondContact O-CA 3.37Å; V155-V158 WeakPolarHBondContact O-CB 3.48Å; V155-V158 PolarHBondContact O-N 3.39Å; V155-K159 HydrophobicContact CG1-CD 4.38Å; V155-K159 HydrophobicContact CG1-CG 4.32Å; V155-K159 WeakPolarHBondContact O-CG 3.32Å; V155-K159 PolarHBondContact O-N 2.86Å; V155-P323 HydrophobicContact CG1-CG 3.89Å; V155-P323 HydrophobicContact CG2-CG 3.92Å; V155-F352 HydrophobicContact CG1-CE2 4Å; V155-F352 HydrophobicContact CG1-CZ 4.26Å
156	I	98.6	Very high	97	Very high	20 Å²	20	41.7 Å²	41.7	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-56.9	-39.6	176.1	-175.8	59	0	0	0	112.6	P154 K159 L160 L356 V361 P364	P154-I156 HydrophobicContact CB-CG2 4.22Å; P154-I156 PolarHBondContact O-N 2.89Å; P154-I156 VanDerWaalsContact O-N 3.17Å; I156-K159 PolarHBondContact O-N 3.06Å; I156-L160 HydrophobicContact CD1-CD1 4.46Å; I156-L160 HydrophobicContact CG1-CD1 4.12Å; I156-L160 WeakPolarHBondContact O-CB 3.16Å; I156-L160 WeakPolarHBondContact O-CG 3.21Å; I156-L160 PolarHBondContact O-N 3Å; I156-L356 HydrophobicContact CD1-CD2 3.78Å; I156-V361 HydrophobicContact CD1-CG2 3.99Å; I156-P364 HydrophobicContact CG2-CG 3.75Å
157	Y	98.7	Very high	97.1	Very high	31 Å²	31	39.3 Å²	39.3	12%	0.122	20%	0.197	C	C	.	.	H	α-helix	trans	-72.1	-35.2	174.8	-67.8	-60.4	0	0	0	112	L153 P154 V155 K159 L160 Y161 A194 P364	L153-Y157 HydrophobicContact CD1-CD2 4.16Å; L153-Y157 HydrophobicContact CD1-CG 4.35Å; P154-Y157 HydrophobicContact CB-CD2 3.94Å; P154-Y157 HydrophobicContact CB-CE2 4.47Å; P154-Y157 HydrophobicContact CG-CD2 4.03Å; P154-Y157 HydrophobicContact CG-CE2 4.31Å; P154-Y157 PolarHBondContact O-N 2.88Å; V155-Y157 VanDerWaalsContact C-N 3.28Å; V155-Y157 PolarHBondContact O-N 3.11Å; Y157-K159 VanDerWaalsContact C-N 3.31Å; Y157-K159 PolarHBondContact O-N 3.25Å; Y157-L160 HydrophobicContact CD1-CD1 4.28Å; Y157-L160 PolarHBondContact O-N 2.94Å; Y157-Y161 HydrophobicContact CD1-CE1 4.23Å; Y157-Y161 HydrophobicContact CD1-CE2 4.5Å; Y157-Y161 AromaticContact CD1-CZ 3.81Å; Y157-Y161 WeakPolarHBondContact CD1-OH 3.44Å; Y157-Y161 HydrophobicContact CG-CE2 4.43Å; Y157-Y161 WeakPolarHBondContact O-CB 3.39Å; Y157-Y161 VanDerWaalsContact O-CD2 3.25Å; Y157-Y161 WeakPolarHBondContact O-CD2 3.48Å; Y157-Y161 PolarHBondContact O-N 2.9Å; Y157-A194 HydrophobicContact CD1-CB 4.47Å; Y157-A194 HydrophobicContact CE1-CB 4.31Å; Y157-P364 HydrophobicContact CE2-CG 3.96Å
158	V	98.8	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-45.3	171.9	-175.7	0	0	0	0	110	L153 P154 V155 M162 L247 L250 L251 F352	L153-V158 HydrophobicContact CB-CG2 4.28Å; L153-V158 HydrophobicContact CD2-CG2 4.03Å; L153-V158 HydrophobicContact CG-CG2 4.28Å; P154-V158 PolarHBondContact O-N 3.31Å; V155-V158 WeakPolarHBondContact O-CA 3.37Å; V155-V158 WeakPolarHBondContact O-CB 3.48Å; V155-V158 PolarHBondContact O-N 3.39Å; V158-M162 HydrophobicContact CG1-CG 4.28Å; V158-M162 VanDerWaalsContact O-CB 3.25Å; V158-M162 WeakPolarHBondContact O-CB 3.43Å; V158-M162 VanDerWaalsContact O-CG 3.23Å; V158-M162 WeakPolarHBondContact O-CG 3.31Å; V158-M162 PolarHBondContact O-N 2.86Å; V158-L247 HydrophobicContact CG1-CD1 3.7Å; V158-L250 HydrophobicContact CG1-CB 4.27Å; V158-L250 HydrophobicContact CG1-CD1 4.38Å; V158-L250 HydrophobicContact CG2-CB 4.23Å; V158-L251 HydrophobicContact CG1-CD2 4.17Å; V158-F352 HydrophobicContact CB-CZ 4.4Å; V158-F352 HydrophobicContact CG1-CE1 4.25Å; V158-F352 HydrophobicContact CG1-CZ 4.01Å
159	K	98.9	Very high	97.5	Very high	27 Å²	27	28.2 Å²	28.2	12%	0.117	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-54.1	175.2	-69	-179.9	-179.3	-169.4	0	111	V155 I156 Y157 Y161 M162 Y163 F352 F353 E355 L356	V155-K159 HydrophobicContact CG1-CD 4.38Å; V155-K159 HydrophobicContact CG1-CG 4.32Å; V155-K159 WeakPolarHBondContact O-CG 3.32Å; V155-K159 PolarHBondContact O-N 2.86Å; I156-K159 PolarHBondContact O-N 3.06Å; Y157-K159 VanDerWaalsContact C-N 3.31Å; Y157-K159 PolarHBondContact O-N 3.25Å; K159-Y161 PolarHBondContact O-N 2.93Å; K159-M162 PolarHBondContact O-N 3.34Å; K159-Y163 WeakPolarHBondContact O-CB 3.39Å; K159-Y163 PolarHBondContact O-N 3.34Å; K159-F352 HydrophobicContact CB-CE1 4.42Å; K159-F352 HydrophobicContact CD-CE2 4.41Å; K159-F352 VanDerWaalsContact CD-O 3.25Å; K159-F352 WeakPolarHBondContact CD-O 3.37Å; K159-F352 WeakPolarHBondContact CE-O 3.41Å; K159-F352 HydrophobicContact CG-CD1 4.21Å; K159-F352 HydrophobicContact CG-CD2 4.34Å; K159-F352 HydrophobicContact CG-CE1 3.69Å; K159-F352 HydrophobicContact CG-CE2 3.81Å; K159-F352 HydrophobicContact CG-CZ 3.46Å; K159-F352 VanDerWaalsContact CG-CZ 3.46Å; K159-F352 PolarHBondContact NZ-O 3.42Å; K159-F353 HydrophobicContact CB-CD1 4.19Å; K159-F353 VanDerWaalsContact O-CE1 3.23Å; K159-F353 WeakPolarHBondContact O-CE1 3.12Å; K159-E355 HydrophobicContact CD-CB 4.15Å; K159-E355 WeakPolarHBondContact CD-OE2 3.34Å; K159-E355 VanDerWaalsContact CE-OE2 3.32Å; K159-E355 WeakPolarHBondContact CE-OE2 3.17Å; K159-E355 VanDerWaalsContact NZ-CB 3.33Å; K159-E355 IonicContact NZ-OE2 3.24Å; K159-E355 PolarHBondContact NZ-OE2 3.17Å; K159-L356 HydrophobicContact CB-CD1 4.09Å; K159-L356 HydrophobicContact CB-CD2 3.93Å; K159-L356 HydrophobicContact CB-CG 4.05Å
160	L	98.9	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.7	-47.7	-178.4	-76.9	164	0	0	0	112.7	I156 Y157 Q164 A194 L356 L363 T369 P370 L372	I156-L160 HydrophobicContact CD1-CD1 4.46Å; I156-L160 HydrophobicContact CG1-CD1 4.12Å; I156-L160 WeakPolarHBondContact O-CB 3.16Å; I156-L160 WeakPolarHBondContact O-CG 3.21Å; I156-L160 PolarHBondContact O-N 3Å; Y157-L160 HydrophobicContact CD1-CD1 4.28Å; Y157-L160 PolarHBondContact O-N 2.94Å; L160-Q164 WeakPolarHBondContact O-CB 3.47Å; L160-Q164 VanDerWaalsContact O-CG 3.26Å; L160-Q164 WeakPolarHBondContact O-CG 3.19Å; L160-Q164 PolarHBondContact O-N 3.47Å; L160-Q164 VanDerWaalsContact O-N 3.15Å; L160-Q164 PolarHBondContact O-NE2 3.33Å; L160-A194 HydrophobicContact CD1-CB 4.06Å; L160-L356 HydrophobicContact CD2-CD2 3.86Å; L160-L356 HydrophobicContact CG-CD2 3.91Å; L160-L363 HydrophobicContact CD1-CD2 3.38Å; L160-T369 HydrophobicContact CD2-CG2 4.18Å; L160-P370 HydrophobicContact CD2-CG 4.47Å; L160-L372 HydrophobicContact CD2-CD1 4.23Å; L160-L372 HydrophobicContact CD2-CD2 4.36Å
161	Y	98.9	Very high	98	Very high	8 Å²	8	17.4 Å²	17.4	3%	0.031	9%	0.09	C	C	.	.	H	α-helix	trans	-72	-43.1	-175.6	-58.8	-19.5	0	0	0	111.4	L153 Y157 K159 Q164 L165 L189 A194 L196	L153-Y161 HydrophobicContact CD2-CD2 3.91Å; L153-Y161 HydrophobicContact CD2-CE2 3.85Å; Y157-Y161 HydrophobicContact CD1-CE1 4.23Å; Y157-Y161 HydrophobicContact CD1-CE2 4.5Å; Y157-Y161 AromaticContact CD1-CZ 3.81Å; Y157-Y161 WeakPolarHBondContact CD1-OH 3.44Å; Y157-Y161 HydrophobicContact CG-CE2 4.43Å; Y157-Y161 WeakPolarHBondContact O-CB 3.39Å; Y157-Y161 VanDerWaalsContact O-CD2 3.25Å; Y157-Y161 WeakPolarHBondContact O-CD2 3.48Å; Y157-Y161 PolarHBondContact O-N 2.9Å; K159-Y161 PolarHBondContact O-N 2.93Å; Y161-Q164 PolarHBondContact O-N 3.12Å; Y161-L165 WeakPolarHBondContact O-CB 3.43Å; Y161-L165 PolarHBondContact O-N 2.84Å; Y161-L189 HydrophobicContact CD1-CD2 3.56Å; Y161-L189 HydrophobicContact CD2-CD1 4.14Å; Y161-L189 HydrophobicContact CD2-CD2 4.28Å; Y161-L189 HydrophobicContact CE1-CD1 4.28Å; Y161-L189 HydrophobicContact CE1-CD2 3.52Å; Y161-L189 HydrophobicContact CE2-CD1 3.65Å; Y161-L189 HydrophobicContact CE2-CD2 4.23Å; Y161-L189 HydrophobicContact CG-CD2 3.97Å; Y161-A194 HydrophobicContact CE1-CB 4.28Å; Y161-L196 HydrophobicContact CG-CD1 4.37Å; Y161-L196 WeakPolarHBondContact O-CD1 3.29Å
162	M	98.9	Very high	98.2	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-68.2	-39	179.1	-67.6	-55.3	-47.9	0	0	112.1	V158 K159 L165 F166 A243 V246 L247 L250 F353	V158-M162 HydrophobicContact CG1-CG 4.28Å; V158-M162 VanDerWaalsContact O-CB 3.25Å; V158-M162 WeakPolarHBondContact O-CB 3.43Å; V158-M162 VanDerWaalsContact O-CG 3.23Å; V158-M162 WeakPolarHBondContact O-CG 3.31Å; V158-M162 PolarHBondContact O-N 2.86Å; K159-M162 PolarHBondContact O-N 3.34Å; M162-L165 HydrophobicContact CE-CD2 3.85Å; M162-L165 PolarHBondContact O-N 2.82Å; M162-L165 HydrophobicContact SD-CD2 4.27Å; M162-F166 HydrophobicContact CB-CD2 4.5Å; M162-F166 HydrophobicContact CB-CE2 4.2Å; M162-F166 HydrophobicContact CE-CE2 3.72Å; M162-F166 HydrophobicContact CE-CZ 3.7Å; M162-F166 WeakPolarHBondContact O-CD2 3.24Å; M162-F166 WeakPolarHBondContact O-CG 3.33Å; M162-F166 PolarHBondContact O-N 3.22Å; M162-A243 HydrophobicContact CE-CB 4.18Å; M162-A243 VanDerWaalsContact CE-O 3.27Å; M162-A243 WeakPolarHBondContact CE-O 3.32Å; M162-V246 HydrophobicContact SD-CB 4.32Å; M162-V246 HydrophobicContact SD-CG1 3.81Å; M162-L247 HydrophobicContact CE-CB 3.91Å; M162-L247 HydrophobicContact CG-CB 4.29Å; M162-L247 HydrophobicContact CG-CD1 3.96Å; M162-L247 HydrophobicContact SD-CB 4.06Å; M162-L250 HydrophobicContact CG-CD1 4.36Å; M162-L250 HydrophobicContact SD-CD1 4.15Å; M162-F353 HydrophobicContact CB-CE1 3.98Å; M162-F353 HydrophobicContact CB-CZ 3.91Å
163	Y	98.9	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.7	-48.9	175.6	-175.3	-92	0	0	0	111.7	K159 L165 F166 R167 C348 F353 L356 L372 F375	K159-Y163 WeakPolarHBondContact O-CB 3.39Å; K159-Y163 PolarHBondContact O-N 3.34Å; Y163-L165 VanDerWaalsContact C-N 3.33Å; Y163-L165 PolarHBondContact O-N 2.81Å; Y163-F166 PolarHBondContact O-N 3.42Å; Y163-R167 HydrophobicContact CD1-CG 4.24Å; Y163-R167 VanDerWaalsContact CE1-CD 3.45Å; Y163-R167 HydrophobicContact CE1-CG 3.93Å; Y163-R167 PolarHBondContact O-N 2.8Å; Y163-C348 HydrophobicContact CD2-CB 4.18Å; Y163-C348 HydrophobicContact CE2-CB 3.8Å; Y163-C348 WeakPolarHBondContact CE2-O 3.49Å; Y163-F353 HydrophobicContact CD2-CB 3.91Å; Y163-F353 HydrophobicContact CD2-CD1 4.04Å; Y163-F353 HydrophobicContact CD2-CD2 4.11Å; Y163-F353 AromaticContact CD2-CG 3.75Å; Y163-F353 HydrophobicContact CD2-CG 3.75Å; Y163-F353 HydrophobicContact CE2-CB 4.44Å; Y163-F353 HydrophobicContact CG-CD1 4.38Å; Y163-L356 HydrophobicContact CD1-CD1 4.41Å; Y163-L356 HydrophobicContact CD2-CD1 4.19Å; Y163-L356 HydrophobicContact CG-CD1 3.84Å; Y163-L372 HydrophobicContact CD1-CD2 3.97Å; Y163-L372 HydrophobicContact CE1-CB 3.93Å; Y163-L372 HydrophobicContact CE1-CD2 4.17Å; Y163-L372 WeakPolarHBondContact CE1-O 3.32Å; Y163-L372 PolarHBondContact OH-O 3.16Å; Y163-F375 VanDerWaalsContact OH-CE2 3.28Å; Y163-F375 WeakPolarHBondContact OH-CE2 3.41Å; Y163-F375 VanDerWaalsContact OH-CZ 3.27Å; Y163-F375 WeakPolarHBondContact OH-CZ 3.26Å
164	Q	98.9	Very high	98.8	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-65.3	-34.8	178.2	-72.2	175.2	87.9	0	0	112.6	N108 L160 Y161 R167 S168 A194 L196 L372	N108-Q164 HydrophobicContact CB-CB 4.43Å; N108-Q164 WeakPolarHBondContact ND2-CB 3.33Å; N108-Q164 WeakPolarHBondContact ND2-CG 3.49Å; N108-Q164 PolarHBondContact ND2-OE1 3.41Å; L160-Q164 WeakPolarHBondContact O-CB 3.47Å; L160-Q164 VanDerWaalsContact O-CG 3.26Å; L160-Q164 WeakPolarHBondContact O-CG 3.19Å; L160-Q164 PolarHBondContact O-N 3.47Å; L160-Q164 VanDerWaalsContact O-N 3.15Å; L160-Q164 PolarHBondContact O-NE2 3.33Å; Y161-Q164 PolarHBondContact O-N 3.12Å; Q164-R167 PolarHBondContact O-N 3.43Å; Q164-S168 PolarHBondContact O-N 3.35Å; Q164-A194 PolarHBondContact NE2-O 2.67Å; Q164-L196 HydrophobicContact CB-CB 3.89Å; Q164-L196 HydrophobicContact CB-CD2 4.34Å; Q164-L372 HydrophobicContact CG-CD2 4.17Å
165	L	98.9	Very high	98.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.8	-51	170.9	172.2	55.9	0	0	0	110.5	Y161 M162 Y163 R167 S168 L169 I182 L187 L196 A243	Y161-L165 WeakPolarHBondContact O-CB 3.43Å; Y161-L165 PolarHBondContact O-N 2.84Å; M162-L165 HydrophobicContact CE-CD2 3.85Å; M162-L165 PolarHBondContact O-N 2.82Å; M162-L165 HydrophobicContact SD-CD2 4.27Å; Y163-L165 VanDerWaalsContact C-N 3.33Å; Y163-L165 PolarHBondContact O-N 2.81Å; L165-R167 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.18Å; L165-S168 PolarHBondContact O-N 2.91Å; L165-S168 VanDerWaalsContact O-N 3.11Å; L165-S168 PolarHBondContact O-OG 2.9Å; L165-L169 HydrophobicContact CD1-CD1 4.15Å; L165-L169 HydrophobicContact CD1-CG 4.03Å; L165-L169 HydrophobicContact CG-CD1 4.26Å; L165-L169 WeakPolarHBondContact O-CG 3.26Å; L165-L169 PolarHBondContact O-N 3.1Å; L165-I182 HydrophobicContact CD1-CD1 4.39Å; L165-I182 HydrophobicContact CD1-CG2 4.34Å; L165-I182 HydrophobicContact CD2-CG2 4.23Å; L165-L187 HydrophobicContact CD1-CD2 3.68Å; L165-L187 HydrophobicContact CD2-CD1 3.98Å; L165-L187 HydrophobicContact CD2-CD2 4.38Å; L165-L196 HydrophobicContact CB-CD2 4.42Å; L165-A243 HydrophobicContact CD2-CB 3.91Å; L165-A243 HydrophobicContact CG-CB 4.48Å
166	F	98.9	Very high	98.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62	-36.8	178.8	-71.2	-53.9	0	0	0	112.7	M162 Y163 L169 A170 A243 L329 L333 P344 A347 C348 F353	M162-F166 HydrophobicContact CB-CD2 4.5Å; M162-F166 HydrophobicContact CB-CE2 4.2Å; M162-F166 HydrophobicContact CE-CE2 3.72Å; M162-F166 HydrophobicContact CE-CZ 3.7Å; M162-F166 WeakPolarHBondContact O-CD2 3.24Å; M162-F166 WeakPolarHBondContact O-CG 3.33Å; M162-F166 PolarHBondContact O-N 3.22Å; Y163-F166 PolarHBondContact O-N 3.42Å; F166-L169 HydrophobicContact CD1-CD1 4.37Å; F166-L169 PolarHBondContact O-N 2.81Å; F166-A170 WeakPolarHBondContact O-CB 3.41Å; F166-A170 PolarHBondContact O-N 3.09Å; F166-A243 HydrophobicContact CD1-CB 4.43Å; F166-A243 HydrophobicContact CE1-CB 3.61Å; F166-A243 HydrophobicContact CZ-CB 4.05Å; F166-L329 HydrophobicContact CE2-CD2 4.36Å; F166-L333 HydrophobicContact CE1-CD1 4.39Å; F166-L333 HydrophobicContact CE1-CD2 3.93Å; F166-L333 HydrophobicContact CE2-CD1 4.4Å; F166-L333 HydrophobicContact CZ-CD1 3.59Å; F166-L333 HydrophobicContact CZ-CD2 3.87Å; F166-L333 HydrophobicContact CZ-CG 4.41Å; F166-P344 HydrophobicContact CB-CB 4.46Å; F166-P344 HydrophobicContact CD1-CB 4.38Å; F166-P344 VanDerWaalsContact O-CB 3.29Å; F166-P344 WeakPolarHBondContact O-CB 3.43Å; F166-A347 HydrophobicContact CB-CB 4.38Å; F166-A347 HydrophobicContact CD1-CB 3.74Å; F166-A347 HydrophobicContact CD2-CB 3.77Å; F166-A347 HydrophobicContact CE1-CB 3.9Å; F166-A347 HydrophobicContact CE2-CB 3.94Å; F166-A347 HydrophobicContact CG-CB 3.7Å; F166-A347 HydrophobicContact CZ-CB 4.03Å; F166-C348 WeakPolarHBondContact CB-SG 3.27Å; F166-F353 HydrophobicContact CD2-CE2 4.07Å; F166-F353 AromaticContact CD2-CZ 3.9Å; F166-F353 HydrophobicContact CD2-CZ 3.9Å; F166-F353 HydrophobicContact CE2-CE2 4.29Å; F166-F353 AromaticContact CE2-CZ 4Å; F166-F353 HydrophobicContact CE2-CZ 4Å
167	R	98.9	Very high	98.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.5	-46.6	170.9	-76.6	-164.3	65.2	-165.1	3.4	112.3	Y163 Q164 L165 L169 A170 Y171 A371 L372 N374 F375 E379	Y163-R167 HydrophobicContact CD1-CG 4.24Å; Y163-R167 VanDerWaalsContact CE1-CD 3.45Å; Y163-R167 HydrophobicContact CE1-CG 3.93Å; Y163-R167 PolarHBondContact O-N 2.8Å; Q164-R167 PolarHBondContact O-N 3.43Å; L165-R167 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.18Å; R167-L169 VanDerWaalsContact C-N 3.28Å; R167-L169 PolarHBondContact O-N 2.87Å; R167-A170 PolarHBondContact O-N 3.07Å; R167-Y171 PolarHBondContact O-N 3.45Å; R167-A371 PolarHBondContact NH1-O 2.89Å; R167-L372 VanDerWaalsContact NH1-C 3.29Å; R167-L372 PolarHBondContact NH1-O 3.17Å; R167-N374 PolarHBondContact NH1-OD1 2.97Å; R167-N374 PolarHBondContact NH2-O 3.39Å; R167-N374 PolarHBondContact NH2-OD1 3.31Å; R167-F375 HydrophobicContact CG-CE1 3.8Å; R167-F375 HydrophobicContact CG-CZ 3.85Å; R167-E379 IonicContact CZ-OE1 3.5Å; R167-E379 IonicContact NE-OE1 3.42Å; R167-E379 PolarHBondContact NE-OE1 2.85Å; R167-E379 VanDerWaalsContact NE-OE1 3.17Å; R167-E379 IonicContact NH2-OE1 2.67Å; R167-E379 PolarHBondContact NH2-OE1 3.23Å; R167-E379 IonicContact NH2-OE2 3.57Å; R167-E379 PolarHBondContact NH2-OE2 3.39Å
168	S	98.9	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61	-38	176.9	76.5	0	0	0	0	112.5	N108 Q164 L165 I172	N108-S168 WeakPolarHBondContact O-CB 3.27Å; Q164-S168 PolarHBondContact O-N 3.35Å; L165-S168 PolarHBondContact O-N 2.91Å; L165-S168 VanDerWaalsContact O-N 3.11Å; L165-S168 PolarHBondContact O-OG 2.9Å; S168-I172 WeakPolarHBondContact O-CG1 3.31Å; S168-I172 PolarHBondContact O-N 2.91Å; S168-I172 VanDerWaalsContact O-N 3.12Å
169	L	98.9	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-68.5	-45.4	176	-69.1	-179.1	0	0	0	111.6	L165 F166 R167 Y171 I172 H173 I182 L198 D239 A243 P344	L165-L169 HydrophobicContact CD1-CD1 4.15Å; L165-L169 HydrophobicContact CD1-CG 4.03Å; L165-L169 HydrophobicContact CG-CD1 4.26Å; L165-L169 WeakPolarHBondContact O-CG 3.26Å; L165-L169 PolarHBondContact O-N 3.1Å; F166-L169 HydrophobicContact CD1-CD1 4.37Å; F166-L169 PolarHBondContact O-N 2.81Å; R167-L169 VanDerWaalsContact C-N 3.28Å; R167-L169 PolarHBondContact O-N 2.87Å; L169-Y171 VanDerWaalsContact C-N 3.26Å; L169-Y171 PolarHBondContact O-N 3.49Å; L169-I172 HydrophobicContact CD2-CD1 4Å; L169-I172 WeakPolarHBondContact O-CG1 3.45Å; L169-I172 PolarHBondContact O-N 3.31Å; L169-H173 VanDerWaalsContact O-CB 3.22Å; L169-H173 WeakPolarHBondContact O-CB 3.21Å; L169-H173 PolarHBondContact O-CD2 3Å; L169-H173 PolarHBondContact O-N 3.21Å; L169-I182 HydrophobicContact CD2-CD1 3.8Å; L169-I182 HydrophobicContact CD2-CG1 4.07Å; L169-L198 HydrophobicContact CD2-CD2 4.45Å; L169-D239 HydrophobicContact CD1-CB 4.32Å; L169-D239 HydrophobicContact CD2-CB 3.94Å; L169-A243 HydrophobicContact CD1-CB 4.08Å; L169-P344 HydrophobicContact CB-CB 3.79Å; L169-P344 HydrophobicContact CB-CG 3.74Å
170	A	98.9	Very high	98.8	Very high	6 Å²	6	9.4 Å²	9.4	5%	0.05	5%	0.053	C	C	.	.	H	α-helix	trans	-55.1	-45.7	175.5	0	0	0	0	0	110.7	F166 R167 S174 P344 L345	F166-A170 WeakPolarHBondContact O-CB 3.41Å; F166-A170 PolarHBondContact O-N 3.09Å; R167-A170 PolarHBondContact O-N 3.07Å; A170-S174 PolarHBondContact O-N 3.09Å; A170-P344 HydrophobicContact CB-CB 3.99Å; A170-L345 HydrophobicContact CB-CB 4.42Å; A170-L345 HydrophobicContact CB-CD1 4.33Å
171	Y	98.9	Very high	98.7	Very high	18 Å²	18	9.4 Å²	9.4	7%	0.071	5%	0.053	C	C	.	.	H	α-helix	trans	-59.1	-56.1	176.8	-177.9	-98.7	0	0	0	112	L104 D105 H106 I109 R167 L169 H173 S174 F175 E379	L104-Y171 HydrophobicContact CB-CE1 4.26Å; L104-Y171 HydrophobicContact CD2-CD1 4.41Å; L104-Y171 HydrophobicContact CD2-CE1 3.86Å; D105-Y171 PolarHBondContact N-OH 2.66Å; D105-Y171 PolarHBondContact O-OH 3.09Å; H106-Y171 HydrophobicContact CB-CD1 3.79Å; H106-Y171 HydrophobicContact CB-CD2 4.18Å; H106-Y171 HydrophobicContact CB-CE1 3.84Å; H106-Y171 HydrophobicContact CB-CE2 4.24Å; H106-Y171 HydrophobicContact CB-CG 3.94Å; H106-Y171 AromaticContact CD2-CD2 3.79Å; H106-Y171 AromaticContact CD2-CG 3.9Å; H106-Y171 AromaticContact CG-CG 3.93Å; I109-Y171 HydrophobicContact CD1-CD1 3.55Å; I109-Y171 HydrophobicContact CD1-CE1 4.07Å; R167-Y171 PolarHBondContact O-N 3.45Å; L169-Y171 VanDerWaalsContact C-N 3.26Å; L169-Y171 PolarHBondContact O-N 3.49Å; Y171-H173 PolarHBondContact O-N 3.02Å; Y171-S174 WeakPolarHBondContact O-CB 3.49Å; Y171-S174 PolarHBondContact O-N 3.35Å; Y171-S174 PolarHBondContact O-OG 2.88Å; Y171-F175 HydrophobicContact CD1-CE2 4.1Å; Y171-F175 HydrophobicContact CD2-CE2 4.19Å; Y171-F175 HydrophobicContact CE1-CD2 4.41Å; Y171-F175 AromaticContact CE1-CE2 3.69Å; Y171-F175 HydrophobicContact CE1-CE2 3.69Å; Y171-F175 AromaticContact CE2-CE2 3.79Å; Y171-F175 HydrophobicContact CE2-CE2 3.79Å; Y171-F175 HydrophobicContact CE2-CZ 4.25Å; Y171-F175 HydrophobicContact CG-CE2 4.35Å; Y171-F175 AromaticContact CZ-CE2 3.53Å; Y171-F175 WeakPolarHBondContact O-CD2 3.18Å; Y171-E379 HydrophobicContact CD2-CG 3.83Å
172	I	98.9	Very high	98.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68	-34.6	-176.6	63.4	172	0	0	0	112.5	L104 I109 S168 L169 S174 F175 I177 H179 L198 F201	L104-I172 HydrophobicContact CD1-CG2 4.16Å; L104-I172 HydrophobicContact CD2-CG2 4.07Å; I109-I172 HydrophobicContact CD1-CG2 3.5Å; I109-I172 VanDerWaalsContact CD1-CG2 3.5Å; S168-I172 WeakPolarHBondContact O-CG1 3.31Å; S168-I172 PolarHBondContact O-N 2.91Å; S168-I172 VanDerWaalsContact O-N 3.12Å; L169-I172 HydrophobicContact CD2-CD1 4Å; L169-I172 WeakPolarHBondContact O-CG1 3.45Å; L169-I172 PolarHBondContact O-N 3.31Å; I172-S174 VanDerWaalsContact C-N 3.26Å; I172-S174 PolarHBondContact O-N 3.49Å; I172-F175 PolarHBondContact O-N 3.13Å; I172-F175 VanDerWaalsContact O-N 3.11Å; I172-I177 CarbonylContact C-O 3.44Å; I172-I177 HydrophobicContact CB-CB 4.3Å; I172-I177 HydrophobicContact CB-CG2 4.44Å; I172-I177 WeakPolarHBondContact O-CB 3.44Å; I172-I177 PolarHBondContact O-N 2.93Å; I172-H179 HydrophobicContact CD1-CB 3.9Å; I172-L198 HydrophobicContact CD1-CD2 4.2Å; I172-F201 HydrophobicContact CD1-CE1 4.4Å; I172-F201 HydrophobicContact CG2-CE1 4.08Å; I172-F201 HydrophobicContact CG2-CZ 4.39Å
173	H	98.8	Very high	98.7	Very high	35 Å²	35	10.1 Å²	10.1	16%	0.162	6%	0.057	C	C	.	.	H	α-helix	trans	-67.3	-28.9	177.9	-68.8	-174.4	0	0	0	111.6	L169 Y171 F175 G176 I177 S236 D239 P344	L169-H173 VanDerWaalsContact O-CB 3.22Å; L169-H173 WeakPolarHBondContact O-CB 3.21Å; L169-H173 PolarHBondContact O-CD2 3Å; L169-H173 PolarHBondContact O-N 3.21Å; Y171-H173 PolarHBondContact O-N 3.02Å; H173-F175 PolarHBondContact O-N 3.25Å; H173-G176 WeakPolarHBondContact O-CA 3.4Å; H173-G176 PolarHBondContact O-N 3.48Å; H173-I177 PolarHBondContact CD2-O 3.48Å; H173-I177 VanDerWaalsContact CD2-O 3.28Å; H173-S236 PolarHBondContact CE1-O 3.13Å; H173-D239 IonicContact CD2-OD2 3.28Å; H173-D239 IonicContact CE1-OD2 3.75Å; H173-D239 IonicContact NE2-OD2 3.57Å; H173-D239 PolarHBondContact NE2-OD2 3.48Å; H173-P344 WeakPolarHBondContact ND1-CG 3.23Å
174	S	98.7	Very high	98.7	Very high	32 Å²	32	10.1 Å²	10.1	22%	0.224	6%	0.057	C	C	.	.	H	α-helix	trans	-63.4	-20.4	173.4	79.7	0	0	0	0	113.6	A170 Y171 I172 Q378	A170-S174 PolarHBondContact O-N 3.09Å; Y171-S174 WeakPolarHBondContact O-CB 3.49Å; Y171-S174 PolarHBondContact O-N 3.35Å; Y171-S174 PolarHBondContact O-OG 2.88Å; I172-S174 VanDerWaalsContact C-N 3.26Å; I172-S174 PolarHBondContact O-N 3.49Å; S174-Q378 VanDerWaalsContact CB-NE2 3.32Å; S174-Q378 WeakPolarHBondContact CB-O 3.35Å; S174-Q378 PolarHBondContact O-NE2 2.9Å; S174-Q378 PolarHBondContact OG-NE2 2.86Å
175	F	98.3	Very high	98.6	Very high	67 Å²	67	13.4 Å²	13.4	29%	0.294	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	6.9	171.7	-61.4	-80	0	0	0	113	Y171 I172 H173 I177 Q378	Y171-F175 HydrophobicContact CD1-CE2 4.1Å; Y171-F175 HydrophobicContact CD2-CE2 4.19Å; Y171-F175 HydrophobicContact CE1-CD2 4.41Å; Y171-F175 AromaticContact CE1-CE2 3.69Å; Y171-F175 HydrophobicContact CE1-CE2 3.69Å; Y171-F175 AromaticContact CE2-CE2 3.79Å; Y171-F175 HydrophobicContact CE2-CE2 3.79Å; Y171-F175 HydrophobicContact CE2-CZ 4.25Å; Y171-F175 HydrophobicContact CG-CE2 4.35Å; Y171-F175 AromaticContact CZ-CE2 3.53Å; Y171-F175 WeakPolarHBondContact O-CD2 3.18Å; I172-F175 PolarHBondContact O-N 3.13Å; I172-F175 VanDerWaalsContact O-N 3.11Å; H173-F175 PolarHBondContact O-N 3.25Å; F175-I177 HydrophobicContact CB-CD1 3.81Å; F175-I177 HydrophobicContact CB-CG1 3.98Å; F175-I177 PolarHBondContact O-N 3.49Å; F175-Q378 HydrophobicContact CE1-CG 4.28Å; F175-Q378 HydrophobicContact CE2-CG 4.01Å; F175-Q378 HydrophobicContact CZ-CG 3.66Å
176	G	98.1	Very high	98.6	Very high	25 Å²	25	13.9 Å²	13.9	26%	0.258	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	13.3	-171.7	0	0	0	0	0	113.9	H173 Q206 L207	H173-G176 WeakPolarHBondContact O-CA 3.4Å; H173-G176 PolarHBondContact O-N 3.48Å; G176-Q206 CarbonylContact O-C 3.59Å; G176-Q206 VanDerWaalsContact O-CA 3.29Å; G176-Q206 WeakPolarHBondContact O-CA 3.42Å; G176-L207 PolarHBondContact O-N 3.21Å
177	I	98.8	Very high	98.6	Very high	3 Å²	3	14 Å²	14	2%	0.015	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121	-178.8	-61.3	168.2	0	0	0	109	I100 L104 I172 H173 F175 A204 Q206	I100-I177 HydrophobicContact CD1-CG2 4.3Å; I100-I177 HydrophobicContact CG2-CD1 4.18Å; I100-I177 HydrophobicContact CG2-CG2 4.16Å; L104-I177 HydrophobicContact CD2-CD1 4.17Å; I172-I177 CarbonylContact C-O 3.44Å; I172-I177 HydrophobicContact CB-CB 4.3Å; I172-I177 HydrophobicContact CB-CG2 4.44Å; I172-I177 WeakPolarHBondContact O-CB 3.44Å; I172-I177 PolarHBondContact O-N 2.93Å; H173-I177 PolarHBondContact CD2-O 3.48Å; H173-I177 VanDerWaalsContact CD2-O 3.28Å; F175-I177 HydrophobicContact CB-CD1 3.81Å; F175-I177 HydrophobicContact CB-CG1 3.98Å; F175-I177 PolarHBondContact O-N 3.49Å; I177-A204 HydrophobicContact CG2-CB 4.29Å; I177-Q206 HydrophobicContact CG1-CB 4.41Å
178	C	98.7	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.4	169.6	-177.3	0	0	0	0	109.7	R180 A204 K205 L207 D239	C178-R180 HydrophobicContact CB-CG 4.02Å; C178-R180 WeakPolarHBondContact SG-CG 3.42Å; C178-A204 VanDerWaalsContact O-CA 3.23Å; C178-A204 WeakPolarHBondContact O-CA 3.29Å; C178-K205 PolarHBondContact N-O 3.46Å; C178-K205 PolarHBondContact O-N 3.2Å; C178-L207 HydrophobicContact CB-CD1 3.5Å; C178-L207 HydrophobicContact CB-CD2 4.4Å; C178-L207 HydrophobicContact CB-CG 3.73Å; C178-D239 PolarHBondContact SG-OD2 3.28Å
179	H	98.7	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.			trans	-74	-42.8	-177.6	-171.3	-72.8	0	0	0	112	I172 D181 I182 C199 D200 F201 S203 A204 D239	I172-H179 HydrophobicContact CD1-CB 3.9Å; H179-D181 PolarHBondContact ND1-N 2.98Å; H179-D181 PolarHBondContact O-N 2.93Å; H179-I182 HydrophobicContact CB-CD1 3.71Å; H179-I182 HydrophobicContact CB-CG1 4.07Å; H179-I182 VanDerWaalsContact CG-CD1 3.49Å; H179-C199 PolarHBondContact NE2-O 3.03Å; H179-D200 PolarHBondContact CE1-O 2.99Å; H179-D200 PolarHBondContact NE2-O 2.88Å; H179-F201 AromaticContact CD2-CE1 3.93Å; H179-S203 CarbonylContact O-C 3.41Å; H179-A204 WeakPolarHBondContact O-CA 3.43Å; H179-A204 PolarHBondContact O-N 2.9Å; H179-D239 PolarHBondContact N-OD2 3.15Å
180	R	98	Very high	98.5	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	9%	0.094	C	C	.	.	S	Bend	trans	64.1	15.9	175.7	-45.9	-167.1	-65.9	161.3	3.6	116	C178 S203 I217 C218 Y234 I238 D239	C178-R180 HydrophobicContact CB-CG 4.02Å; C178-R180 WeakPolarHBondContact SG-CG 3.42Å; R180-S203 PolarHBondContact NE-O 3.43Å; R180-S203 PolarHBondContact NH2-O 3.27Å; R180-I217 HydrophobicContact CB-CG1 3.72Å; R180-I217 HydrophobicContact CB-CG2 4.35Å; R180-C218 WeakPolarHBondContact O-CA 3.37Å; R180-C218 WeakPolarHBondContact O-CB 3.4Å; R180-C218 PolarHBondContact O-N 3.22Å; R180-C218 VanDerWaalsContact O-N 3.11Å; R180-Y234 PolarHBondContact NH1-OH 2.93Å; R180-I238 HydrophobicContact CB-CD1 4.33Å; R180-I238 HydrophobicContact CG-CD1 3.98Å; R180-D239 PolarHBondContact N-OD1 3.49Å
181	D	97.5	Very high	98.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.108	C	C	.	.			trans	-159	44.1	174.6	-159.6	32	0	0	0	111.9	R6 H179 K183 N186 S219	R6-D181 IonicContact NH1-OD1 3.58Å; H179-D181 PolarHBondContact ND1-N 2.98Å; H179-D181 PolarHBondContact O-N 2.93Å; D181-K183 PolarHBondContact O-N 3.3Å; D181-K183 IonicContact OD1-NZ 3.66Å; D181-K183 IonicContact OD2-NZ 2.69Å; D181-K183 PolarHBondContact OD2-NZ 2.9Å; D181-N186 PolarHBondContact O-ND2 3.01Å; D181-N186 PolarHBondContact OD2-ND2 3.23Å; D181-S219 WeakPolarHBondContact OD1-CB 3.26Å; D181-S219 PolarHBondContact OD1-N 3.22Å; D181-S219 PolarHBondContact OD1-OG 3.41Å
182	I	98.9	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.129	C	C	.	.			trans	-69.2	125.9	173.4	-61	-59.7	0	0	0	109.1	L165 L169 H179 L198 Y222 D239 V246	L165-I182 HydrophobicContact CD1-CD1 4.39Å; L165-I182 HydrophobicContact CD1-CG2 4.34Å; L165-I182 HydrophobicContact CD2-CG2 4.23Å; L169-I182 HydrophobicContact CD2-CD1 3.8Å; L169-I182 HydrophobicContact CD2-CG1 4.07Å; H179-I182 HydrophobicContact CB-CD1 3.71Å; H179-I182 HydrophobicContact CB-CG1 4.07Å; H179-I182 VanDerWaalsContact CG-CD1 3.49Å; I182-L198 HydrophobicContact CD1-CD1 3.54Å; I182-L198 HydrophobicContact CD1-CD2 4.07Å; I182-L198 HydrophobicContact CD1-CG 4.47Å; I182-Y222 WeakPolarHBondContact O-CB 3.2Å; I182-D239 HydrophobicContact CG1-CB 4.03Å; I182-V246 HydrophobicContact CG2-CG2 4.42Å
183	K	98.5	Very high	98.2	Very high	23 Å²	23	25.7 Å²	25.7	10%	0.1	14%	0.143	C	C	.	.			trans	-167.3	158.5	-179.1	64.6	-165.4	-170.2	-149.2	0	109.8	D181 Q185 N186 L187 S219 Y222	D181-K183 PolarHBondContact O-N 3.3Å; D181-K183 IonicContact OD1-NZ 3.66Å; D181-K183 IonicContact OD2-NZ 2.69Å; D181-K183 PolarHBondContact OD2-NZ 2.9Å; K183-Q185 HydrophobicContact CG-CB 4.32Å; K183-Q185 VanDerWaalsContact CG-OE1 3.24Å; K183-Q185 PolarHBondContact O-N 3.23Å; K183-N186 WeakPolarHBondContact CE-ND2 3.22Å; K183-N186 VanDerWaalsContact CE-OD1 3.32Å; K183-N186 WeakPolarHBondContact CE-OD1 3.41Å; K183-N186 HydrophobicContact CG-CB 4.14Å; K183-N186 PolarHBondContact O-N 3.26Å; K183-L187 WeakPolarHBondContact O-CG 3.48Å; K183-S219 WeakPolarHBondContact CD-OG 3.39Å; K183-S219 PolarHBondContact NZ-OG 2.7Å; K183-Y222 HydrophobicContact CB-CD1 4.48Å; K183-Y222 HydrophobicContact CB-CD2 3.5Å; K183-Y222 HydrophobicContact CB-CE2 3.56Å; K183-Y222 HydrophobicContact CB-CG 4.01Å
184	P	98.7	Very high	98.2	Very high	1 Å²	1	24 Å²	24	1%	0.006	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-56.3	-26.4	-176.8	-27.7	37.6	0	0	0	115.1	V139 Y140 N186 Y222 V246	V139-P184 HydrophobicContact CB-CB 4.22Å; V139-P184 HydrophobicContact CG1-CB 4.08Å; V139-P184 PolarHBondContact N-O 2.97Å; Y140-P184 PolarHBondContact N-O 3.31Å; P184-N186 VanDerWaalsContact C-N 3.34Å; P184-Y222 VanDerWaalsContact CD-CE1 3.43Å; P184-Y222 WeakPolarHBondContact CD-OH 3.44Å; P184-Y222 HydrophobicContact CG-CE1 4.07Å; P184-Y222 WeakPolarHBondContact CG-OH 3.39Å; P184-V246 HydrophobicContact CG-CG1 4.49Å; P184-V246 HydrophobicContact CG-CG2 4.19Å
185	Q	97.7	Very high	98.2	Very high	69 Å²	69	24 Å²	24	32%	0.322	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-72.5	-26	177.7	-59.7	82.2	-0.2	0	0	113.2	Y140 K183 L187	Y140-Q185 HydrophobicContact CD1-CG 4.22Å; Y140-Q185 HydrophobicContact CD2-CG 4.19Å; Y140-Q185 VanDerWaalsContact CD2-NE2 3.25Å; Y140-Q185 HydrophobicContact CG-CG 3.83Å; K183-Q185 HydrophobicContact CG-CB 4.32Å; K183-Q185 VanDerWaalsContact CG-OE1 3.24Å; K183-Q185 PolarHBondContact O-N 3.23Å; Q185-L187 VanDerWaalsContact C-N 3.32Å
186	N	98.5	Very high	98.2	Very high	11 Å²	11	20.9 Å²	20.9	6%	0.059	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-94.5	9.3	-179.1	-71.2	-0.3	0	0	0	112.3	D181 K183 P184 C199	D181-N186 PolarHBondContact O-ND2 3.01Å; D181-N186 PolarHBondContact OD2-ND2 3.23Å; K183-N186 WeakPolarHBondContact CE-ND2 3.22Å; K183-N186 VanDerWaalsContact CE-OD1 3.32Å; K183-N186 WeakPolarHBondContact CE-OD1 3.41Å; K183-N186 HydrophobicContact CG-CB 4.14Å; K183-N186 PolarHBondContact O-N 3.26Å; P184-N186 VanDerWaalsContact C-N 3.34Å; N186-C199 PolarHBondContact O-N 2.86Å; N186-C199 PolarHBondContact O-SG 3.31Å; N186-C199 VanDerWaalsContact O-SG 3.38Å
187	L	98.8	Very high	98.3	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	98.7	177.9	-55.5	-179.8	0	0	0	108.1	T138 V139 L165 K183 Q185 L196 L198 V246	T138-L187 CarbonylContact C-O 3.59Å; T138-L187 VanDerWaalsContact CA-O 3.22Å; T138-L187 WeakPolarHBondContact CA-O 3.33Å; V139-L187 HydrophobicContact CB-CB 3.91Å; V139-L187 HydrophobicContact CB-CD1 4.29Å; V139-L187 HydrophobicContact CG2-CB 3.4Å; V139-L187 VanDerWaalsContact CG2-CB 3.4Å; V139-L187 HydrophobicContact CG2-CD1 3.97Å; V139-L187 HydrophobicContact CG2-CG 4.33Å; V139-L187 PolarHBondContact N-O 3Å; L165-L187 HydrophobicContact CD1-CD2 3.68Å; L165-L187 HydrophobicContact CD2-CD1 3.98Å; L165-L187 HydrophobicContact CD2-CD2 4.38Å; K183-L187 WeakPolarHBondContact O-CG 3.48Å; Q185-L187 VanDerWaalsContact C-N 3.32Å; L187-L196 HydrophobicContact CB-CD1 4.08Å; L187-L196 HydrophobicContact CB-CG 4.48Å; L187-L196 HydrophobicContact CD1-CD1 4.44Å; L187-L196 HydrophobicContact CD2-CD2 4.43Å; L187-L198 HydrophobicContact CD2-CD1 3.79Å; L187-V246 HydrophobicContact CD1-CG1 3.95Å; L187-V246 HydrophobicContact CD1-CG2 4.49Å
188	L	98.8	Very high	98.3	Very high	27 Å²	27	21.4 Å²	21.4	14%	0.141	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	145.5	179.4	-50.9	179.7	0	0	0	110.1	V110 V135 E137 T138 L196 K197 C199	V110-L188 HydrophobicContact CB-CD1 4.25Å; V110-L188 HydrophobicContact CG2-CD1 4.17Å; V135-L188 HydrophobicContact CB-CB 3.69Å; V135-L188 HydrophobicContact CB-CD1 3.94Å; V135-L188 HydrophobicContact CB-CG 4.38Å; V135-L188 HydrophobicContact CG1-CB 3.56Å; V135-L188 HydrophobicContact CG2-CB 4.17Å; V135-L188 HydrophobicContact CG2-CD1 4.01Å; E137-L188 CarbonylContact O-C 3.6Å; E137-L188 WeakPolarHBondContact O-CA 3.47Å; T138-L188 HydrophobicContact CG2-CD2 3.87Å; L188-L196 CarbonylContact O-C 3.51Å; L188-L196 VanDerWaalsContact O-CA 3.31Å; L188-L196 WeakPolarHBondContact O-CA 3.43Å; L188-K197 HydrophobicContact CB-CB 4.42Å; L188-K197 WeakPolarHBondContact CB-O 3.39Å; L188-K197 PolarHBondContact N-O 3.29Å; L188-K197 PolarHBondContact O-N 3.39Å; L188-C199 HydrophobicContact CD1-CB 3.68Å; L188-C199 HydrophobicContact CD2-CB 4.47Å; L188-C199 HydrophobicContact CG-CB 3.87Å
189	L	98.7	Very high	98.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.3	-178.9	-68.5	179.2	0	0	0	111.4	V135 E137 V139 V142 Y161 P191 V195 L196	V135-L189 WeakPolarHBondContact CG1-O 3.46Å; E137-L189 HydrophobicContact CB-CB 4.15Å; E137-L189 WeakPolarHBondContact CB-O 3.41Å; E137-L189 PolarHBondContact N-O 3Å; E137-L189 VanDerWaalsContact N-O 3.09Å; E137-L189 PolarHBondContact O-N 3.11Å; V139-L189 HydrophobicContact CB-CD1 4.31Å; V139-L189 HydrophobicContact CG2-CD1 3.72Å; V139-L189 HydrophobicContact CG2-CD2 3.99Å; V139-L189 HydrophobicContact CG2-CG 3.8Å; V142-L189 HydrophobicContact CB-CD1 4.19Å; V142-L189 HydrophobicContact CG2-CD1 3.81Å; Y161-L189 HydrophobicContact CD1-CD2 3.56Å; Y161-L189 HydrophobicContact CD2-CD1 4.14Å; Y161-L189 HydrophobicContact CD2-CD2 4.28Å; Y161-L189 HydrophobicContact CE1-CD1 4.28Å; Y161-L189 HydrophobicContact CE1-CD2 3.52Å; Y161-L189 HydrophobicContact CE2-CD1 3.65Å; Y161-L189 HydrophobicContact CE2-CD2 4.23Å; Y161-L189 HydrophobicContact CG-CD2 3.97Å; L189-P191 WeakPolarHBondContact O-CD 3.3Å; L189-V195 WeakPolarHBondContact CA-O 3.35Å; L189-L196 HydrophobicContact CD2-CB 3.8Å; L189-L196 HydrophobicContact CD2-CD1 3.99Å; L189-L196 HydrophobicContact CD2-CG 4.07Å
190	D	98.3	Very high	98.1	Very high	48 Å²	48	23.7 Å²	23.7	26%	0.257	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	109.5	156.3	178.5	-13.1	0	0	0	108.2	D192 T193 A194 V195	D190-D192 VanDerWaalsContact C-N 3.28Å; D190-D192 PolarHBondContact O-N 3.37Å; D190-D192 PolarHBondContact OD1-N 3.49Å; D190-T193 VanDerWaalsContact CB-OG1 3.31Å; D190-T193 WeakPolarHBondContact CB-OG1 3.23Å; D190-T193 PolarHBondContact OD1-N 2.82Å; D190-T193 WeakPolarHBondContact OD2-CG2 3.46Å; D190-T193 PolarHBondContact OD2-OG1 3.3Å; D190-A194 VanDerWaalsContact O-CA 3.24Å; D190-A194 WeakPolarHBondContact O-CA 3.37Å; D190-A194 PolarHBondContact O-N 2.93Å; D190-V195 HydrophobicContact CB-CB 4.42Å; D190-V195 PolarHBondContact N-O 3.47Å; D190-V195 PolarHBondContact O-N 2.86Å
191	P	95.3	Very high	98	Very high	53 Å²	53	23.7 Å²	23.7	34%	0.344	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-28.3	-176.8	-23.2	34.8	0	0	0	114.5	E137 L189	E137-P191 HydrophobicContact CB-CG 3.92Å; E137-P191 HydrophobicContact CG-CG 3.63Å; L189-P191 WeakPolarHBondContact O-CD 3.3Å
192	D	96.5	Very high	97.8	Very high	96 Å²	96	24.4 Å²	24.4	51%	0.513	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-37.1	-174.5	-71.8	-20.4	0	0	0	111.4	D190 N365	D190-D192 VanDerWaalsContact C-N 3.28Å; D190-D192 PolarHBondContact O-N 3.37Å; D190-D192 PolarHBondContact OD1-N 3.49Å; D192-N365 PolarHBondContact O-ND2 3.14Å; D192-N365 VanDerWaalsContact O-ND2 3.09Å
193	T	98.3	Very high	97.6	Very high	46 Å²	46	24.4 Å²	24.4	28%	0.282	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-7.9	-178.1	63.4	0	0	0	0	113.2	D190 V195	D190-T193 VanDerWaalsContact CB-OG1 3.31Å; D190-T193 WeakPolarHBondContact CB-OG1 3.23Å; D190-T193 PolarHBondContact OD1-N 2.82Å; D190-T193 WeakPolarHBondContact OD2-CG2 3.46Å; D190-T193 PolarHBondContact OD2-OG1 3.3Å; T193-V195 PolarHBondContact O-N 2.78Å; T193-V195 VanDerWaalsContact O-N 3.13Å; T193-V195 WeakPolarHBondContact OG1-CG2 3.4Å; T193-V195 PolarHBondContact OG1-N 2.91Å
194	A	98.5	Very high	97.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	21.5	-171.8	0	0	0	0	0	114.1	Y157 L160 Y161 Q164 D190 L196 L363	Y157-A194 HydrophobicContact CD1-CB 4.47Å; Y157-A194 HydrophobicContact CE1-CB 4.31Å; L160-A194 HydrophobicContact CD1-CB 4.06Å; Y161-A194 HydrophobicContact CE1-CB 4.28Å; Q164-A194 PolarHBondContact NE2-O 2.67Å; D190-A194 VanDerWaalsContact O-CA 3.24Å; D190-A194 WeakPolarHBondContact O-CA 3.37Å; D190-A194 PolarHBondContact O-N 2.93Å; A194-L196 PolarHBondContact O-N 2.86Å; A194-L363 HydrophobicContact CB-CD1 3.97Å; A194-L363 HydrophobicContact CB-CD2 3.79Å
195	V	98.9	Very high	97.3	Very high	33 Å²	33	24 Å²	24	20%	0.2	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.4	176.8	171.9	0	0	0	0	109.5	L189 D190 T193 K197 P370	L189-V195 WeakPolarHBondContact CA-O 3.35Å; D190-V195 HydrophobicContact CB-CB 4.42Å; D190-V195 PolarHBondContact N-O 3.47Å; D190-V195 PolarHBondContact O-N 2.86Å; T193-V195 PolarHBondContact O-N 2.78Å; T193-V195 VanDerWaalsContact O-N 3.13Å; T193-V195 WeakPolarHBondContact OG1-CG2 3.4Å; T193-V195 PolarHBondContact OG1-N 2.91Å; V195-K197 HydrophobicContact CG1-CG 4.17Å; V195-P370 HydrophobicContact CG2-CB 3.59Å; V195-P370 HydrophobicContact CG2-CG 4.38Å
196	L	98.9	Very high	97.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.6	170	-178.2	149.9	0	0	0	110.6	N108 V139 Y161 Q164 L165 L187 L188 L189 A194	N108-L196 VanDerWaalsContact CA-O 3.27Å; N108-L196 WeakPolarHBondContact CA-O 3.33Å; N108-L196 WeakPolarHBondContact CB-O 3.46Å; N108-L196 PolarHBondContact ND2-O 2.84Å; V139-L196 HydrophobicContact CG2-CD1 3.89Å; Y161-L196 HydrophobicContact CG-CD1 4.37Å; Y161-L196 WeakPolarHBondContact O-CD1 3.29Å; Q164-L196 HydrophobicContact CB-CB 3.89Å; Q164-L196 HydrophobicContact CB-CD2 4.34Å; L165-L196 HydrophobicContact CB-CD2 4.42Å; L187-L196 HydrophobicContact CB-CD1 4.08Å; L187-L196 HydrophobicContact CB-CG 4.48Å; L187-L196 HydrophobicContact CD1-CD1 4.44Å; L187-L196 HydrophobicContact CD2-CD2 4.43Å; L188-L196 CarbonylContact O-C 3.51Å; L188-L196 VanDerWaalsContact O-CA 3.31Å; L188-L196 WeakPolarHBondContact O-CA 3.43Å; L189-L196 HydrophobicContact CD2-CB 3.8Å; L189-L196 HydrophobicContact CD2-CD1 3.99Å; L189-L196 HydrophobicContact CD2-CG 4.07Å; A194-L196 PolarHBondContact O-N 2.86Å
197	K	98.9	Very high	97.2	Very high	39 Å²	39	26.2 Å²	26.2	17%	0.17	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	122.2	172.6	-72.2	177.1	-180	-66.5	0	111.1	C107 N108 V110 V135 L188 V195	C107-K197 PolarHBondContact O-NZ 2.78Å; N108-K197 WeakPolarHBondContact O-CA 3.28Å; V110-K197 HydrophobicContact CB-CB 4.45Å; V135-K197 HydrophobicContact CG2-CD 3.91Å; L188-K197 HydrophobicContact CB-CB 4.42Å; L188-K197 WeakPolarHBondContact CB-O 3.39Å; L188-K197 PolarHBondContact N-O 3.29Å; L188-K197 PolarHBondContact O-N 3.39Å; V195-K197 HydrophobicContact CG1-CG 4.17Å
198	L	98.9	Very high	97.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.7	171.5	-179.6	61	0	0	0	110.5	N108 V110 L169 I172 I182 L187 F201	N108-L198 PolarHBondContact O-N 3.37Å; V110-L198 WeakPolarHBondContact CG1-O 3.47Å; V110-L198 PolarHBondContact N-O 3.25Å; L169-L198 HydrophobicContact CD2-CD2 4.45Å; I172-L198 HydrophobicContact CD1-CD2 4.2Å; I182-L198 HydrophobicContact CD1-CD1 3.54Å; I182-L198 HydrophobicContact CD1-CD2 4.07Å; I182-L198 HydrophobicContact CD1-CG 4.47Å; L187-L198 HydrophobicContact CD2-CD1 3.79Å; L198-F201 HydrophobicContact CD2-CZ 4.16Å; L198-F201 HydrophobicContact CG-CZ 4.26Å
199	C	98.3	Very high	96.8	Very high	18 Å²	18	40 Å²	40	12%	0.122	20%	0.203	C	C	.	.			trans	-135.9	176.3	179.3	77.1	0	0	0	0	112.7	V110 H179 N186 L188	V110-C199 HydrophobicContact CB-CB 4.27Å; V110-C199 HydrophobicContact CG1-CB 3.6Å; H179-C199 PolarHBondContact NE2-O 3.03Å; N186-C199 PolarHBondContact O-N 2.86Å; N186-C199 PolarHBondContact O-SG 3.31Å; N186-C199 VanDerWaalsContact O-SG 3.38Å; L188-C199 HydrophobicContact CD1-CB 3.68Å; L188-C199 HydrophobicContact CD2-CB 4.47Å; L188-C199 HydrophobicContact CG-CB 3.87Å
200	D	95.8	Very high	96.6	Very high	30 Å²	30	44 Å²	44	16%	0.16	24%	0.243	C	C	.	.			trans	64.9	71	177.4	-167.6	18	0	0	0	115	K85 H179 G202	K85-D200 IonicContact NZ-OD1 2.66Å; K85-D200 PolarHBondContact NZ-OD1 2.84Å; H179-D200 PolarHBondContact CE1-O 2.99Å; H179-D200 PolarHBondContact NE2-O 2.88Å; D200-G202 PolarHBondContact O-N 3.28Å; D200-G202 PolarHBondContact OD1-N 2.82Å
201	F	96.3	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-81.8	15.4	175.7	-70.7	-95.1	0	0	0	113	E97 I100 M101 L104 I109 I172 H179 L198 S203 A204	E97-F201 HydrophobicContact CG-CB 4.01Å; E97-F201 PolarHBondContact OE1-N 2.93Å; I100-F201 HydrophobicContact CG2-CB 4.3Å; I100-F201 HydrophobicContact CG2-CD1 3.71Å; I100-F201 HydrophobicContact CG2-CE1 4.42Å; I100-F201 HydrophobicContact CG2-CG 4.22Å; M101-F201 HydrophobicContact CE-CD2 4.38Å; M101-F201 HydrophobicContact CG-CB 4.07Å; M101-F201 HydrophobicContact CG-CD2 4.02Å; M101-F201 HydrophobicContact CG-CG 4.19Å; M101-F201 HydrophobicContact SD-CD2 4.25Å; L104-F201 HydrophobicContact CD1-CD1 3.94Å; L104-F201 HydrophobicContact CD1-CE1 3.42Å; L104-F201 VanDerWaalsContact CD1-CE1 3.42Å; L104-F201 HydrophobicContact CD1-CE2 4.07Å; L104-F201 HydrophobicContact CD1-CG 4.45Å; L104-F201 HydrophobicContact CD1-CZ 3.49Å; L104-F201 VanDerWaalsContact CD1-CZ 3.49Å; I109-F201 HydrophobicContact CD1-CZ 4.42Å; I109-F201 HydrophobicContact CG2-CE2 3.71Å; I109-F201 HydrophobicContact CG2-CZ 3.77Å; I172-F201 HydrophobicContact CD1-CE1 4.4Å; I172-F201 HydrophobicContact CG2-CE1 4.08Å; I172-F201 HydrophobicContact CG2-CZ 4.39Å; H179-F201 AromaticContact CD2-CE1 3.93Å; L198-F201 HydrophobicContact CD2-CZ 4.16Å; L198-F201 HydrophobicContact CG-CZ 4.26Å; F201-S203 PolarHBondContact O-N 3.21Å; F201-A204 HydrophobicContact CB-CB 4.03Å; F201-A204 HydrophobicContact CD1-CB 3.81Å; F201-A204 HydrophobicContact CG-CB 4.41Å; F201-A204 WeakPolarHBondContact O-CB 3.32Å; F201-A204 PolarHBondContact O-N 3.18Å
202	G	93	Very high	96.3	Very high	17 Å²	17	48.4 Å²	48.4	18%	0.175	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.5	-27.6	-179.4	0	0	0	0	0	113.8	T8 D200	T8-G202 WeakPolarHBondContact CG2-O 3.35Å; D200-G202 PolarHBondContact O-N 3.28Å; D200-G202 PolarHBondContact OD1-N 2.82Å
203	S	93.3	Very high	96.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-95.8	-8	175.2	-64.5	0	0	0	0	113.5	H179 R180 F201	H179-S203 CarbonylContact O-C 3.41Å; R180-S203 PolarHBondContact NE-O 3.43Å; R180-S203 PolarHBondContact NH2-O 3.27Å; F201-S203 PolarHBondContact O-N 3.21Å
204	A	95.9	Very high	96	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	24%	0.244	C	C	.	.			trans	-68.6	150.4	-171.3	0	0	0	0	0	112.4	I100 I177 C178 H179 F201	I100-A204 HydrophobicContact CD1-CB 3.65Å; I177-A204 HydrophobicContact CG2-CB 4.29Å; C178-A204 VanDerWaalsContact O-CA 3.23Å; C178-A204 WeakPolarHBondContact O-CA 3.29Å; H179-A204 WeakPolarHBondContact O-CA 3.43Å; H179-A204 PolarHBondContact O-N 2.9Å; F201-A204 HydrophobicContact CB-CB 4.03Å; F201-A204 HydrophobicContact CD1-CB 3.81Å; F201-A204 HydrophobicContact CG-CB 4.41Å; F201-A204 WeakPolarHBondContact O-CB 3.32Å; F201-A204 PolarHBondContact O-N 3.18Å
205	K	95.8	Very high	95.7	Very high	14 Å²	14	45.7 Å²	45.7	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	141.3	176.5	-168.5	-168.2	169.1	-167.9	0	109.6	C178 L207 N213	C178-K205 PolarHBondContact N-O 3.46Å; C178-K205 PolarHBondContact O-N 3.2Å; K205-L207 HydrophobicContact CB-CD2 4.39Å; K205-L207 HydrophobicContact CD-CD2 4.33Å; K205-L207 PolarHBondContact O-N 3.38Å; K205-N213 WeakPolarHBondContact CD-OD1 3.25Å; K205-N213 WeakPolarHBondContact CE-OD1 3.47Å; K205-N213 PolarHBondContact NZ-OD1 3.07Å
206	Q	97.3	Very high	95.4	Very high	98 Å²	98	51 Å²	51	46%	0.458	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	116.7	162.4	-172	173.7	-7.8	0	0	109	G176 I177	G176-Q206 CarbonylContact O-C 3.59Å; G176-Q206 VanDerWaalsContact O-CA 3.29Å; G176-Q206 WeakPolarHBondContact O-CA 3.42Å; I177-Q206 HydrophobicContact CG1-CB 4.41Å
207	L	96.5	Very high	95.1	Very high	29 Å²	29	51 Å²	51	15%	0.152	27%	0.271	C	S	.	.			trans	-85.6	128.8	-180	-57.6	-175.5	0	0	0	109.1	G176 C178 K205 Y234	G176-L207 PolarHBondContact O-N 3.21Å; C178-L207 HydrophobicContact CB-CD1 3.5Å; C178-L207 HydrophobicContact CB-CD2 4.4Å; C178-L207 HydrophobicContact CB-CG 3.73Å; K205-L207 HydrophobicContact CB-CD2 4.39Å; K205-L207 HydrophobicContact CD-CD2 4.33Å; K205-L207 PolarHBondContact O-N 3.38Å; L207-Y234 HydrophobicContact CD1-CD2 4.19Å; L207-Y234 HydrophobicContact CD1-CE2 4.24Å; L207-Y234 HydrophobicContact CD2-CE2 4.2Å
208	V	96.5	Very high	94.7	Very high	65 Å²	65	49.3 Å²	49.3	39%	0.394	26%	0.264	S	S	.	.			trans	-117.1	125.7	177.9	-178.4	0	0	0	0	107.3	G210 E211	V208-G210 PolarHBondContact O-N 2.79Å; V208-E211 HydrophobicContact CB-CB 4.32Å; V208-E211 HydrophobicContact CB-CG 4Å; V208-E211 HydrophobicContact CG1-CG 4.15Å; V208-E211 PolarHBondContact O-N 2.63Å; V208-E211 VanDerWaalsContact O-N 3.07Å
209	R	93.4	Very high	94.5	Very high	253 Å²	253	49.8 Å²	49.8	96%	0.955	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	131.9	-179.6	-173.3	178.5	-178.5	-178.5	0.6	109.8	E211	R209-E211 VanDerWaalsContact C-N 3.32Å
210	G	93.6	Very high	94.4	Very high	82 Å²	82	52.3 Å²	52.3	85%	0.845	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-13.9	-176.9	0	0	0	0	0	114.5	V208	V208-G210 PolarHBondContact O-N 2.79Å
211	E	94.5	Very high	94.5	Very high	96 Å²	96	54.4 Å²	54.4	45%	0.449	28%	0.281	S	S	.	.	S	Bend	trans	-90.3	127.4	171.8	-67.7	-172.9	-172.7	0	0	111.3	V208 R209 N213	V208-E211 HydrophobicContact CB-CB 4.32Å; V208-E211 HydrophobicContact CB-CG 4Å; V208-E211 HydrophobicContact CG1-CG 4.15Å; V208-E211 PolarHBondContact O-N 2.63Å; V208-E211 VanDerWaalsContact O-N 3.07Å; R209-E211 VanDerWaalsContact C-N 3.32Å; E211-N213 PolarHBondContact O-ND2 2.71Å
212	P	94	Very high	94.6	Very high	98 Å²	98	54.9 Å²	54.9	64%	0.636	28%	0.283	S	S	*	.			trans	-69.7	150.4	178.4	29.1	-34.6	0	0	0	112.1	T232	P212-T232 CarbonylContact C-O 3.53Å
213	N	94.1	Very high	94.8	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.043	28%	0.278	C	S	.	.			trans	-128.8	150.7	-179.6	-57.4	-79	0	0	0	110.6	K205 E211 S215 T232 Y234	K205-N213 WeakPolarHBondContact CD-OD1 3.25Å; K205-N213 WeakPolarHBondContact CE-OD1 3.47Å; K205-N213 PolarHBondContact NZ-OD1 3.07Å; E211-N213 PolarHBondContact O-ND2 2.71Å; N213-S215 PolarHBondContact O-N 2.81Å; N213-T232 WeakPolarHBondContact CB-O 3.25Å; N213-T232 PolarHBondContact N-O 3.18Å; N213-T232 PolarHBondContact ND2-O 3.02Å; N213-T232 VanDerWaalsContact ND2-O 3.17Å; N213-T232 WeakPolarHBondContact O-CA 3.24Å; N213-T232 VanDerWaalsContact O-CB 3.22Å; N213-T232 WeakPolarHBondContact O-CB 3.33Å; N213-T232 VanDerWaalsContact O-CG2 3.32Å; N213-T232 WeakPolarHBondContact O-CG2 3Å; N213-Y234 HydrophobicContact CB-CD1 4.37Å; N213-Y234 HydrophobicContact CB-CE1 3.53Å; N213-Y234 HydrophobicContact CB-CE2 4.12Å; N213-Y234 WeakPolarHBondContact CB-OH 3.3Å
214	V	93.1	Very high	95.1	Very high	47 Å²	47	54.9 Å²	54.9	29%	0.285	28%	0.278	S	S	.	.			trans	-65.6	125.7	175.9	176.4	0	0	0	0	109.5	S9 Y234	S9-V214 WeakPolarHBondContact OG-CG2 3.34Å; V214-Y234 WeakPolarHBondContact O-CE1 3.49Å; V214-Y234 PolarHBondContact O-OH 2.91Å
215	S	92.2	Very high	95.2	Very high	31 Å²	31	54.8 Å²	54.8	22%	0.217	28%	0.277	C	S	.	.	S	Bend	trans	-79	-35	179.5	57.5	0	0	0	0	113	N213 I217 A231	N213-S215 PolarHBondContact O-N 2.81Å; S215-I217 PolarHBondContact O-N 3.38Å; S215-A231 WeakPolarHBondContact CB-O 3.45Å
216	Y	92.8	Very high	95.3	Very high	143 Å²	143	54.2 Å²	54.2	56%	0.561	28%	0.275	S	S	*	.	S	Bend	trans	-75.7	65.9	175.9	-164.4	-101.6	0	0	0	111.7
217	I	92.4	Very high	95.3	Very high	2 Å²	2	50 Å²	50	1%	0.01	26%	0.255	C	S	.	.			trans	-127.3	176	178.1	-159.7	54.9	0	0	0	109.6	R180 S215 R223 L227	R180-I217 HydrophobicContact CB-CG1 3.72Å; R180-I217 HydrophobicContact CB-CG2 4.35Å; S215-I217 PolarHBondContact O-N 3.38Å; I217-R223 PolarHBondContact O-NE 2.89Å; I217-R223 PolarHBondContact O-NH2 2.99Å; I217-L227 HydrophobicContact CG2-CD1 3.86Å; I217-L227 HydrophobicContact CG2-CD2 4.14Å
218	C	92	Very high	95.3	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.02	26%	0.257	C	S	.	.	S	Bend	trans	65.5	149	-174.4	-167	0	0	0	0	114.4	R180 Y222 R223 L227	R180-C218 WeakPolarHBondContact O-CA 3.37Å; R180-C218 WeakPolarHBondContact O-CB 3.4Å; R180-C218 PolarHBondContact O-N 3.22Å; R180-C218 VanDerWaalsContact O-N 3.11Å; C218-Y222 PolarHBondContact SG-O 3.35Å; C218-R223 HydrophobicContact CB-CB 4.33Å; C218-R223 HydrophobicContact CB-CG 4.43Å; C218-R223 PolarHBondContact O-NH2 3.03Å; C218-L227 HydrophobicContact CB-CD1 4.32Å
219	S	94	Very high	95.2	Very high	11 Å²	11	47.7 Å²	47.7	8%	0.077	24%	0.24	C	C	.	.			trans	-65.1	137.7	168.2	-63.4	0	0	0	0	110.6	R6 D181 K183 Y221 Y222 R223	R6-S219 PolarHBondContact NH1-OG 3.09Å; D181-S219 WeakPolarHBondContact OD1-CB 3.26Å; D181-S219 PolarHBondContact OD1-N 3.22Å; D181-S219 PolarHBondContact OD1-OG 3.41Å; K183-S219 WeakPolarHBondContact CD-OG 3.39Å; K183-S219 PolarHBondContact NZ-OG 2.7Å; S219-Y221 PolarHBondContact O-N 3.28Å; S219-Y222 CarbonylContact O-C 3.56Å; S219-Y222 PolarHBondContact O-N 2.94Å; S219-R223 PolarHBondContact O-N 3.01Å
220	R	95.3	Very high	95.2	Very high	70 Å²	70	37 Å²	37	26%	0.264	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-51.6	-52	-164.9	-169.4	-172.4	-66.8	133	-5	114.4	Y222 R223 G259 D260 Q265	R220-Y222 PolarHBondContact O-N 3Å; R220-Y222 VanDerWaalsContact O-N 3.13Å; R220-R223 VanDerWaalsContact O-CB 3.29Å; R220-R223 WeakPolarHBondContact O-CB 3.48Å; R220-R223 PolarHBondContact O-N 3Å; R220-R223 VanDerWaalsContact O-N 3.13Å; R220-G259 WeakPolarHBondContact CD-O 3.49Å; R220-D260 PolarHBondContact NE-O 3.18Å; R220-D260 PolarHBondContact NH1-O 2.89Å; R220-D260 PolarHBondContact NH2-O 3Å; R220-Q265 HydrophobicContact CG-CB 4.39Å; R220-Q265 HydrophobicContact CG-CG 4.4Å; R220-Q265 VanDerWaalsContact O-CD 3.27Å; R220-Q265 PolarHBondContact O-NE2 3.07Å; R220-Q265 PolarHBondContact O-OE1 3.37Å
221	Y	98.2	Very high	95.3	Very high	75 Å²	75	33.2 Å²	33.2	29%	0.294	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-65.3	-17.3	-176.5	-58.5	-20.4	0	0	0	114.3	S219 P255 F257 P258 G259	S219-Y221 PolarHBondContact O-N 3.28Å; Y221-P255 HydrophobicContact CD2-CB 4Å; Y221-P255 HydrophobicContact CD2-CG 3.94Å; Y221-P255 HydrophobicContact CE2-CG 4.29Å; Y221-P255 HydrophobicContact CG-CB 4.43Å; Y221-F257 WeakPolarHBondContact CD1-O 3.34Å; Y221-P258 HydrophobicContact CE1-CB 4.24Å; Y221-G259 VanDerWaalsContact CE1-O 3.32Å; Y221-G259 WeakPolarHBondContact CE1-O 3.3Å
222	Y	98.5	Very high	95.5	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.035	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-110.5	4.8	-177.9	-48.1	-81.3	0	0	0	111.8	I182 K183 P184 C218 S219 R220 S242 C245 V246 E249	I182-Y222 WeakPolarHBondContact O-CB 3.2Å; K183-Y222 HydrophobicContact CB-CD1 4.48Å; K183-Y222 HydrophobicContact CB-CD2 3.5Å; K183-Y222 HydrophobicContact CB-CE2 3.56Å; K183-Y222 HydrophobicContact CB-CG 4.01Å; P184-Y222 VanDerWaalsContact CD-CE1 3.43Å; P184-Y222 WeakPolarHBondContact CD-OH 3.44Å; P184-Y222 HydrophobicContact CG-CE1 4.07Å; P184-Y222 WeakPolarHBondContact CG-OH 3.39Å; C218-Y222 PolarHBondContact SG-O 3.35Å; S219-Y222 CarbonylContact O-C 3.56Å; S219-Y222 PolarHBondContact O-N 2.94Å; R220-Y222 PolarHBondContact O-N 3Å; R220-Y222 VanDerWaalsContact O-N 3.13Å; Y222-S242 WeakPolarHBondContact O-CB 3.41Å; Y222-S242 PolarHBondContact O-OG 3.04Å; Y222-C245 HydrophobicContact CD1-CB 3.7Å; Y222-C245 HydrophobicContact CE1-CB 4.39Å; Y222-V246 HydrophobicContact CD1-CG2 4.11Å; Y222-V246 HydrophobicContact CE1-CG2 4.15Å; Y222-E249 VanDerWaalsContact CE1-OE2 3.23Å; Y222-E249 WeakPolarHBondContact CE1-OE2 3.46Å; Y222-E249 VanDerWaalsContact CZ-OE2 3.27Å; Y222-E249 PolarHBondContact OH-OE1 2.75Å; Y222-E249 PolarHBondContact OH-OE2 3.47Å
223	R	98.4	Very high	95.6	Very high	17 Å²	17	31.6 Å²	31.6	6%	0.064	16%	0.161	C	C	.	.			trans	-76.4	128.3	-175.2	-175	177.9	-65.9	148.7	0.7	110.5	I217 C218 S219 R220 L227 I228 W241	I217-R223 PolarHBondContact O-NE 2.89Å; I217-R223 PolarHBondContact O-NH2 2.99Å; C218-R223 HydrophobicContact CB-CB 4.33Å; C218-R223 HydrophobicContact CB-CG 4.43Å; C218-R223 PolarHBondContact O-NH2 3.03Å; S219-R223 PolarHBondContact O-N 3.01Å; R220-R223 VanDerWaalsContact O-CB 3.29Å; R220-R223 WeakPolarHBondContact O-CB 3.48Å; R220-R223 PolarHBondContact O-N 3Å; R220-R223 VanDerWaalsContact O-N 3.13Å; R223-L227 HydrophobicContact CG-CB 3.7Å; R223-L227 HydrophobicContact CG-CD1 3.96Å; R223-L227 HydrophobicContact CG-CG 4.47Å; R223-I228 HydrophobicContact CG-CG1 4.06Å; R223-W241 PolarHBondContact O-NE1 2.94Å; R223-W241 VanDerWaalsContact O-NE1 3.16Å
224	A	98.6	Very high	95.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.			trans	-65.1	146.3	176	0	0	0	0	0	112	E226 L227 I228 I238 W241	A224-E226 VanDerWaalsContact C-N 3.31Å; A224-E226 HydrophobicContact CB-CG 4.36Å; A224-E226 WeakPolarHBondContact CB-OE2 3.34Å; A224-E226 PolarHBondContact O-N 2.65Å; A224-L227 HydrophobicContact CB-CD1 4.46Å; A224-L227 HydrophobicContact CB-CG 4.49Å; A224-L227 WeakPolarHBondContact O-CB 3.06Å; A224-L227 PolarHBondContact O-N 3.18Å; A224-I228 PolarHBondContact O-N 2.94Å; A224-I238 HydrophobicContact CB-CB 3.94Å; A224-I238 HydrophobicContact CB-CG2 3.84Å; A224-W241 HydrophobicContact CB-CB 3.86Å; A224-W241 HydrophobicContact CB-CD2 4.41Å; A224-W241 HydrophobicContact CB-CG 3.75Å
225	P	97.9	Very high	96	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-35.4	-173.8	25.8	-35.5	0	0	0	112.8	L227 I228 F229 W241 I269 M284 Y336	P225-L227 PolarHBondContact O-N 3.17Å; P225-I228 CarbonylContact O-C 3.6Å; P225-I228 WeakPolarHBondContact O-CA 3.16Å; P225-I228 WeakPolarHBondContact O-CB 3.25Å; P225-I228 PolarHBondContact O-N 3.02Å; P225-F229 HydrophobicContact CB-CD2 4.47Å; P225-F229 HydrophobicContact CB-CE2 4.41Å; P225-F229 WeakPolarHBondContact O-CD2 3.39Å; P225-F229 PolarHBondContact O-N 3.33Å; P225-W241 HydrophobicContact CG-CE3 4.26Å; P225-W241 HydrophobicContact CG-CH2 4Å; P225-W241 HydrophobicContact CG-CZ2 4.35Å; P225-W241 HydrophobicContact CG-CZ3 3.95Å; P225-I269 HydrophobicContact CB-CD1 4.43Å; P225-M284 HydrophobicContact CB-SD 3.56Å; P225-M284 VanDerWaalsContact CB-SD 3.56Å; P225-M284 HydrophobicContact CG-SD 3.59Å; P225-M284 VanDerWaalsContact CG-SD 3.59Å; P225-Y336 HydrophobicContact CB-CD1 4.13Å; P225-Y336 HydrophobicContact CB-CE1 4.23Å; P225-Y336 HydrophobicContact CG-CD1 3.93Å; P225-Y336 HydrophobicContact CG-CE1 4.41Å
226	E	98.1	Very high	96.3	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-33.7	174.3	61	-89.4	-145	0	0	113.2	A224 F229 G230 A231 I238 M284 P338 R341	A224-E226 VanDerWaalsContact C-N 3.31Å; A224-E226 HydrophobicContact CB-CG 4.36Å; A224-E226 WeakPolarHBondContact CB-OE2 3.34Å; A224-E226 PolarHBondContact O-N 2.65Å; E226-F229 CarbonylContact O-C 3.43Å; E226-F229 PolarHBondContact O-N 3Å; E226-G230 PolarHBondContact O-N 2.91Å; E226-G230 VanDerWaalsContact O-N 3.15Å; E226-A231 HydrophobicContact CB-CB 4.09Å; E226-A231 WeakPolarHBondContact O-CB 3Å; E226-A231 PolarHBondContact O-N 3.38Å; E226-I238 HydrophobicContact CG-CG2 4.07Å; E226-I238 VanDerWaalsContact OE1-CG2 3.3Å; E226-I238 WeakPolarHBondContact OE1-CG2 3.14Å; E226-M284 HydrophobicContact CB-CB 3.89Å; E226-M284 HydrophobicContact CB-CG 4.17Å; E226-M284 VanDerWaalsContact CB-O 3.32Å; E226-M284 WeakPolarHBondContact CB-O 3.48Å; E226-P338 HydrophobicContact CG-CG 4.42Å; E226-R341 IonicContact OE1-CZ 2.93Å; E226-R341 IonicContact OE1-NH1 2.63Å; E226-R341 PolarHBondContact OE1-NH1 3.12Å; E226-R341 IonicContact OE1-NH2 3.89Å; E226-R341 PolarHBondContact OE1-NH2 3.46Å; E226-R341 IonicContact OE2-CZ 3.31Å; E226-R341 IonicContact OE2-NH1 2.79Å; E226-R341 IonicContact OE2-NH2 3.87Å; E226-R341 PolarHBondContact OE2-NH2 3.45Å
227	L	97.4	Very high	96.6	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-72.3	-33.1	174.7	-62.6	177.2	0	0	0	111.5	I217 C218 R223 A224 P225 G230 Y234 I238	I217-L227 HydrophobicContact CG2-CD1 3.86Å; I217-L227 HydrophobicContact CG2-CD2 4.14Å; C218-L227 HydrophobicContact CB-CD1 4.32Å; R223-L227 HydrophobicContact CG-CB 3.7Å; R223-L227 HydrophobicContact CG-CD1 3.96Å; R223-L227 HydrophobicContact CG-CG 4.47Å; A224-L227 HydrophobicContact CB-CD1 4.46Å; A224-L227 HydrophobicContact CB-CG 4.49Å; A224-L227 WeakPolarHBondContact O-CB 3.06Å; A224-L227 PolarHBondContact O-N 3.18Å; P225-L227 PolarHBondContact O-N 3.17Å; L227-G230 PolarHBondContact O-N 2.89Å; L227-G230 VanDerWaalsContact O-N 3.15Å; L227-Y234 HydrophobicContact CD2-CD1 3.29Å; L227-Y234 HydrophobicContact CD2-CD2 4.25Å; L227-Y234 HydrophobicContact CD2-CE1 3.44Å; L227-Y234 VanDerWaalsContact CD2-CE1 3.44Å; L227-Y234 HydrophobicContact CD2-CE2 4.39Å; L227-Y234 HydrophobicContact CD2-CG 3.7Å; L227-I238 HydrophobicContact CD1-CB 4.28Å; L227-I238 HydrophobicContact CD1-CD1 3.95Å; L227-I238 HydrophobicContact CD1-CG2 4.2Å; L227-I238 HydrophobicContact CD2-CD1 4.47Å; L227-I238 HydrophobicContact CD2-CG2 4.41Å; L227-I238 HydrophobicContact CG-CG2 4.13Å
228	I	95.6	Very high	96.9	Very high	39 Å²	39	26.7 Å²	26.7	20%	0.2	15%	0.145	C	C	.	.	H	α-helix	trans	-68.8	-38.9	174.3	-55	172.3	0	0	0	110	R223 A224 P225 G230 G262 Q265 L266 I269	R223-I228 HydrophobicContact CG-CG1 4.06Å; A224-I228 PolarHBondContact O-N 2.94Å; P225-I228 CarbonylContact O-C 3.6Å; P225-I228 WeakPolarHBondContact O-CA 3.16Å; P225-I228 WeakPolarHBondContact O-CB 3.25Å; P225-I228 PolarHBondContact O-N 3.02Å; I228-G230 PolarHBondContact O-N 3.47Å; I228-G262 VanDerWaalsContact CG2-O 3.26Å; I228-G262 WeakPolarHBondContact CG2-O 3.23Å; I228-Q265 HydrophobicContact CD1-CB 4.04Å; I228-Q265 HydrophobicContact CD1-CG 3.54Å; I228-L266 HydrophobicContact CG2-CB 4.21Å; I228-I269 HydrophobicContact CD1-CD1 3.82Å
229	F	94.3	Very high	97.3	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.031	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-2.3	170.7	-73.9	-67.7	0	0	0	113.5	P225 E226 L266 M284 N285 Y288 F293	P225-F229 HydrophobicContact CB-CD2 4.47Å; P225-F229 HydrophobicContact CB-CE2 4.41Å; P225-F229 WeakPolarHBondContact O-CD2 3.39Å; P225-F229 PolarHBondContact O-N 3.33Å; E226-F229 CarbonylContact O-C 3.43Å; E226-F229 PolarHBondContact O-N 3Å; F229-L266 HydrophobicContact CE1-CD2 4.06Å; F229-L266 HydrophobicContact CE2-CD1 3.97Å; F229-L266 HydrophobicContact CE2-CD2 4.38Å; F229-L266 HydrophobicContact CZ-CD1 4.03Å; F229-L266 HydrophobicContact CZ-CD2 3.76Å; F229-M284 HydrophobicContact CD2-CB 4.22Å; F229-M284 HydrophobicContact CD2-CE 3.79Å; F229-M284 HydrophobicContact CD2-SD 3.79Å; F229-M284 HydrophobicContact CE2-CE 3.33Å; F229-M284 HydrophobicContact CE2-SD 3.76Å; F229-M284 HydrophobicContact CZ-CE 4.13Å; F229-N285 HydrophobicContact CB-CB 4.01Å; F229-N285 PolarHBondContact O-ND2 3.39Å; F229-Y288 HydrophobicContact CB-CD2 4.32Å; F229-Y288 AromaticContact CD1-CD1 3.5Å; F229-Y288 HydrophobicContact CD1-CD1 3.5Å; F229-Y288 VanDerWaalsContact CD1-CD1 3.5Å; F229-Y288 AromaticContact CD1-CD2 3.73Å; F229-Y288 HydrophobicContact CD1-CD2 3.73Å; F229-Y288 AromaticContact CD1-CE1 3.41Å; F229-Y288 HydrophobicContact CD1-CE1 3.41Å; F229-Y288 VanDerWaalsContact CD1-CE1 3.41Å; F229-Y288 AromaticContact CD1-CE2 3.69Å; F229-Y288 HydrophobicContact CD1-CE2 3.69Å; F229-Y288 AromaticContact CD1-CG 3.64Å; F229-Y288 HydrophobicContact CD1-CG 3.64Å; F229-Y288 AromaticContact CD1-CZ 3.52Å; F229-Y288 AromaticContact CE1-CD1 3.71Å; F229-Y288 HydrophobicContact CE1-CD1 3.71Å; F229-Y288 AromaticContact CE1-CE1 3.35Å; F229-Y288 HydrophobicContact CE1-CE1 3.35Å; F229-Y288 HydrophobicContact CE1-CE2 4.37Å; F229-Y288 HydrophobicContact CE1-CG 4.32Å; F229-Y288 AromaticContact CE1-CZ 3.74Å; F229-F293 HydrophobicContact CE1-CE2 4.01Å; F229-F293 AromaticContact CE1-CZ 4Å; F229-F293 HydrophobicContact CE1-CZ 4Å; F229-F293 HydrophobicContact CZ-CE2 4.14Å; F229-F293 HydrophobicContact CZ-CZ 4.2Å
230	G	94.9	Very high	97.5	Very high	30 Å²	30	26.2 Å²	26.2	31%	0.309	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	17.2	173.3	0	0	0	0	0	115.1	E226 L227 I228	E226-G230 PolarHBondContact O-N 2.91Å; E226-G230 VanDerWaalsContact O-N 3.15Å; L227-G230 PolarHBondContact O-N 2.89Å; L227-G230 VanDerWaalsContact O-N 3.15Å; I228-G230 PolarHBondContact O-N 3.47Å
231	A	96.1	Very high	97.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.008	13%	0.129	C	C	.	.			trans	-57.5	139.8	177.1	0	0	0	0	0	111.7	S215 E226 Y234 M284 N285	S215-A231 WeakPolarHBondContact CB-O 3.45Å; E226-A231 HydrophobicContact CB-CB 4.09Å; E226-A231 WeakPolarHBondContact O-CB 3Å; E226-A231 PolarHBondContact O-N 3.38Å; A231-Y234 WeakPolarHBondContact O-CD1 3.36Å; A231-M284 VanDerWaalsContact CB-O 3.32Å; A231-M284 WeakPolarHBondContact CB-O 3.14Å; A231-N285 HydrophobicContact CB-CB 4.2Å
232	T	96.7	Very high	97.7	Very high	62 Å²	62	19.4 Å²	19.4	38%	0.38	12%	0.116	S	C	.	.	S	Bend	trans	-114.3	-9.7	177.7	60	0	0	0	0	112.5	P212 N213	P212-T232 CarbonylContact C-O 3.53Å; N213-T232 WeakPolarHBondContact CB-O 3.25Å; N213-T232 PolarHBondContact N-O 3.18Å; N213-T232 PolarHBondContact ND2-O 3.02Å; N213-T232 VanDerWaalsContact ND2-O 3.17Å; N213-T232 WeakPolarHBondContact O-CA 3.24Å; N213-T232 VanDerWaalsContact O-CB 3.22Å; N213-T232 WeakPolarHBondContact O-CB 3.33Å; N213-T232 VanDerWaalsContact O-CG2 3.32Å; N213-T232 WeakPolarHBondContact O-CG2 3Å
233	D	96.4	Very high	97.7	Very high	99 Å²	99	19 Å²	19	53%	0.529	11%	0.114	S	C	.	.	S	Bend	trans	-104.5	16.7	179.7	61.7	-28.1	0	0	0	112.9
234	Y	98.1	Very high	97.7	Very high	13 Å²	13	18.1 Å²	18.1	5%	0.051	11%	0.111	C	C	.	.			trans	-57.9	158.5	176.4	61.3	-99.1	0	0	0	112.8	R180 L207 N213 V214 L227 A231 I238	R180-Y234 PolarHBondContact NH1-OH 2.93Å; L207-Y234 HydrophobicContact CD1-CD2 4.19Å; L207-Y234 HydrophobicContact CD1-CE2 4.24Å; L207-Y234 HydrophobicContact CD2-CE2 4.2Å; N213-Y234 HydrophobicContact CB-CD1 4.37Å; N213-Y234 HydrophobicContact CB-CE1 3.53Å; N213-Y234 HydrophobicContact CB-CE2 4.12Å; N213-Y234 WeakPolarHBondContact CB-OH 3.3Å; V214-Y234 WeakPolarHBondContact O-CE1 3.49Å; V214-Y234 PolarHBondContact O-OH 2.91Å; L227-Y234 HydrophobicContact CD2-CD1 3.29Å; L227-Y234 HydrophobicContact CD2-CD2 4.25Å; L227-Y234 HydrophobicContact CD2-CE1 3.44Å; L227-Y234 VanDerWaalsContact CD2-CE1 3.44Å; L227-Y234 HydrophobicContact CD2-CE2 4.39Å; L227-Y234 HydrophobicContact CD2-CG 3.7Å; A231-Y234 WeakPolarHBondContact O-CD1 3.36Å; Y234-I238 HydrophobicContact CD2-CD1 3.6Å; Y234-I238 HydrophobicContact CD2-CG1 4.36Å; Y234-I238 HydrophobicContact CD2-CG2 4.21Å; Y234-I238 HydrophobicContact CE2-CD1 3.57Å; Y234-I238 HydrophobicContact CG-CD1 4.5Å; Y234-I238 HydrophobicContact CG-CG2 4.34Å
235	T	98.6	Very high	97.8	Very high	75 Å²	75	18.2 Å²	18.2	46%	0.46	11%	0.112	S	C	.	.			trans	-111.4	-178.1	-179.8	79.2	0	0	0	0	111.6	S237 I238	T235-S237 PolarHBondContact O-N 3.34Å; T235-S237 VanDerWaalsContact O-N 3.07Å; T235-S237 PolarHBondContact OG1-N 3.49Å; T235-S237 PolarHBondContact OG1-OG 3.41Å; T235-S237 VanDerWaalsContact OG1-OG 3.04Å; T235-I238 WeakPolarHBondContact O-CG1 3.36Å; T235-I238 PolarHBondContact O-N 2.92Å
236	S	98.7	Very high	97.8	Very high	21 Å²	21	18.3 Å²	18.3	15%	0.147	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-12	174.9	-54.2	0	0	0	0	114.1	H173 I238 D239	H173-S236 PolarHBondContact CE1-O 3.13Å; S236-I238 PolarHBondContact O-N 3.09Å; S236-I238 VanDerWaalsContact O-N 3.13Å; S236-D239 WeakPolarHBondContact O-CB 3.49Å; S236-D239 PolarHBondContact O-N 3.11Å
237	S	98.8	Very high	97.8	Very high	17 Å²	17	18.2 Å²	18.2	12%	0.119	11%	0.111	C	C	.	.	H	α-helix	trans	-66.4	-9.1	176.5	70.1	0	0	0	0	114.1	T235 D239 V240 W241 P338 R341	T235-S237 PolarHBondContact O-N 3.34Å; T235-S237 VanDerWaalsContact O-N 3.07Å; T235-S237 PolarHBondContact OG1-N 3.49Å; T235-S237 PolarHBondContact OG1-OG 3.41Å; T235-S237 VanDerWaalsContact OG1-OG 3.04Å; S237-D239 VanDerWaalsContact C-N 3.28Å; S237-D239 PolarHBondContact O-N 2.89Å; S237-V240 WeakPolarHBondContact O-CB 3.18Å; S237-V240 PolarHBondContact O-N 2.87Å; S237-W241 PolarHBondContact O-N 3.47Å; S237-P338 WeakPolarHBondContact CB-O 3.44Å; S237-P338 WeakPolarHBondContact OG-CB 3.22Å; S237-P338 PolarHBondContact OG-O 3.03Å; S237-R341 PolarHBondContact O-NH1 2.94Å
238	I	98.9	Very high	97.9	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-64.1	-33.6	167.3	65	172.6	0	0	0	111.8	R180 A224 E226 L227 Y234 T235 S236 V240 W241 S242	R180-I238 HydrophobicContact CB-CD1 4.33Å; R180-I238 HydrophobicContact CG-CD1 3.98Å; A224-I238 HydrophobicContact CB-CB 3.94Å; A224-I238 HydrophobicContact CB-CG2 3.84Å; E226-I238 HydrophobicContact CG-CG2 4.07Å; E226-I238 VanDerWaalsContact OE1-CG2 3.3Å; E226-I238 WeakPolarHBondContact OE1-CG2 3.14Å; L227-I238 HydrophobicContact CD1-CB 4.28Å; L227-I238 HydrophobicContact CD1-CD1 3.95Å; L227-I238 HydrophobicContact CD1-CG2 4.2Å; L227-I238 HydrophobicContact CD2-CD1 4.47Å; L227-I238 HydrophobicContact CD2-CG2 4.41Å; L227-I238 HydrophobicContact CG-CG2 4.13Å; Y234-I238 HydrophobicContact CD2-CD1 3.6Å; Y234-I238 HydrophobicContact CD2-CG1 4.36Å; Y234-I238 HydrophobicContact CD2-CG2 4.21Å; Y234-I238 HydrophobicContact CE2-CD1 3.57Å; Y234-I238 HydrophobicContact CG-CD1 4.5Å; Y234-I238 HydrophobicContact CG-CG2 4.34Å; T235-I238 WeakPolarHBondContact O-CG1 3.36Å; T235-I238 PolarHBondContact O-N 2.92Å; S236-I238 PolarHBondContact O-N 3.09Å; S236-I238 VanDerWaalsContact O-N 3.13Å; I238-V240 VanDerWaalsContact C-N 3.29Å; I238-V240 PolarHBondContact O-N 3.38Å; I238-W241 PolarHBondContact O-N 2.91Å; I238-S242 PolarHBondContact O-N 3.19Å; I238-S242 PolarHBondContact O-OG 2.82Å; I238-S242 VanDerWaalsContact O-OG 3.1Å
239	D	98.9	Very high	98	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.8	-31.7	176.7	-69.3	-29.6	0	0	0	110.8	L169 H173 C178 H179 R180 I182 S236 S237 S242 A243	L169-D239 HydrophobicContact CD1-CB 4.32Å; L169-D239 HydrophobicContact CD2-CB 3.94Å; H173-D239 IonicContact CD2-OD2 3.28Å; H173-D239 IonicContact CE1-OD2 3.75Å; H173-D239 IonicContact NE2-OD2 3.57Å; H173-D239 PolarHBondContact NE2-OD2 3.48Å; C178-D239 PolarHBondContact SG-OD2 3.28Å; H179-D239 PolarHBondContact N-OD2 3.15Å; R180-D239 PolarHBondContact N-OD1 3.49Å; I182-D239 HydrophobicContact CG1-CB 4.03Å; S236-D239 WeakPolarHBondContact O-CB 3.49Å; S236-D239 PolarHBondContact O-N 3.11Å; S237-D239 VanDerWaalsContact C-N 3.28Å; S237-D239 PolarHBondContact O-N 2.89Å; D239-S242 PolarHBondContact O-N 2.79Å; D239-A243 WeakPolarHBondContact O-CB 3.42Å; D239-A243 PolarHBondContact O-N 3.11Å
240	V	98.9	Very high	98.2	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-66.4	-44.1	175.7	178.8	0	0	0	0	110.5	S237 I238 S242 A243 G244 L333 R341 L342 P344	S237-V240 WeakPolarHBondContact O-CB 3.18Å; S237-V240 PolarHBondContact O-N 2.87Å; I238-V240 VanDerWaalsContact C-N 3.29Å; I238-V240 PolarHBondContact O-N 3.38Å; V240-S242 PolarHBondContact O-N 2.88Å; V240-A243 PolarHBondContact O-N 3.19Å; V240-G244 PolarHBondContact O-N 3.03Å; V240-L333 HydrophobicContact CG1-CB 4.49Å; V240-L333 HydrophobicContact CG1-CD2 3.42Å; V240-L333 VanDerWaalsContact CG1-CD2 3.42Å; V240-R341 HydrophobicContact CG1-CB 4.03Å; V240-L342 WeakPolarHBondContact CG1-O 3.23Å; V240-P344 HydrophobicContact CG2-CG 4.09Å
241	W	98.9	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.6	-49.5	172.2	174.1	-81.8	0	0	0	111.2	R223 A224 P225 S237 I238 A243 G244 C245 F257 I269 L273 L334 E335	R223-W241 PolarHBondContact O-NE1 2.94Å; R223-W241 VanDerWaalsContact O-NE1 3.16Å; A224-W241 HydrophobicContact CB-CB 3.86Å; A224-W241 HydrophobicContact CB-CD2 4.41Å; A224-W241 HydrophobicContact CB-CG 3.75Å; P225-W241 HydrophobicContact CG-CE3 4.26Å; P225-W241 HydrophobicContact CG-CH2 4Å; P225-W241 HydrophobicContact CG-CZ2 4.35Å; P225-W241 HydrophobicContact CG-CZ3 3.95Å; S237-W241 PolarHBondContact O-N 3.47Å; I238-W241 PolarHBondContact O-N 2.91Å; W241-A243 VanDerWaalsContact C-N 3.29Å; W241-A243 PolarHBondContact O-N 3.22Å; W241-G244 CarbonylContact O-C 3.57Å; W241-G244 WeakPolarHBondContact O-CA 3.45Å; W241-G244 PolarHBondContact O-N 3.5Å; W241-C245 PolarHBondContact O-N 3.38Å; W241-F257 HydrophobicContact CH2-CE2 4.24Å; W241-F257 HydrophobicContact CZ2-CD2 4.14Å; W241-F257 AromaticContact CZ2-CE2 3.66Å; W241-F257 HydrophobicContact CZ2-CE2 3.66Å; W241-F257 HydrophobicContact CZ2-CZ 4.42Å; W241-I269 HydrophobicContact CH2-CD1 4.38Å; W241-I269 HydrophobicContact CH2-CG1 4.46Å; W241-I269 HydrophobicContact CH2-CG2 3.77Å; W241-I269 HydrophobicContact CZ2-CD1 3.73Å; W241-I269 HydrophobicContact CZ2-CG1 3.96Å; W241-I269 HydrophobicContact CZ2-CG2 4.12Å; W241-L273 HydrophobicContact CH2-CD1 3.69Å; W241-L273 HydrophobicContact CZ3-CD1 3.98Å; W241-L334 HydrophobicContact CD2-CD2 3.75Å; W241-L334 HydrophobicContact CE3-CB 4.49Å; W241-L334 HydrophobicContact CE3-CD2 3.9Å; W241-L334 HydrophobicContact CG-CD2 4.24Å; W241-L334 HydrophobicContact CH2-CD2 4.33Å; W241-L334 HydrophobicContact CZ2-CD2 4.18Å; W241-L334 HydrophobicContact CZ3-CB 4.2Å; W241-L334 HydrophobicContact CZ3-CD2 4.2Å; W241-L334 WeakPolarHBondContact O-CD2 3.43Å; W241-E335 WeakPolarHBondContact CZ3-O 3.38Å
242	S	98.9	Very high	98.2	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-58.7	-39.9	177.9	-58.7	0	0	0	0	112.2	Y222 I238 D239 V240 C245 V246	Y222-S242 WeakPolarHBondContact O-CB 3.41Å; Y222-S242 PolarHBondContact O-OG 3.04Å; I238-S242 PolarHBondContact O-N 3.19Å; I238-S242 PolarHBondContact O-OG 2.82Å; I238-S242 VanDerWaalsContact O-OG 3.1Å; D239-S242 PolarHBondContact O-N 2.79Å; V240-S242 PolarHBondContact O-N 2.88Å; S242-C245 WeakPolarHBondContact O-CB 3.4Å; S242-C245 PolarHBondContact O-N 2.83Å; S242-V246 WeakPolarHBondContact O-CG2 3.38Å; S242-V246 PolarHBondContact O-N 3.13Å
243	A	98.9	Very high	98.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.1	-37.2	173.4	0	0	0	0	0	112.2	M162 L165 F166 L169 D239 V240 W241 C245 V246 L247	M162-A243 HydrophobicContact CE-CB 4.18Å; M162-A243 VanDerWaalsContact CE-O 3.27Å; M162-A243 WeakPolarHBondContact CE-O 3.32Å; L165-A243 HydrophobicContact CD2-CB 3.91Å; L165-A243 HydrophobicContact CG-CB 4.48Å; F166-A243 HydrophobicContact CD1-CB 4.43Å; F166-A243 HydrophobicContact CE1-CB 3.61Å; F166-A243 HydrophobicContact CZ-CB 4.05Å; L169-A243 HydrophobicContact CD1-CB 4.08Å; D239-A243 WeakPolarHBondContact O-CB 3.42Å; D239-A243 PolarHBondContact O-N 3.11Å; V240-A243 PolarHBondContact O-N 3.19Å; W241-A243 VanDerWaalsContact C-N 3.29Å; W241-A243 PolarHBondContact O-N 3.22Å; A243-C245 VanDerWaalsContact C-N 3.34Å; A243-C245 PolarHBondContact O-N 3.07Å; A243-V246 PolarHBondContact O-N 3.12Å; A243-L247 PolarHBondContact O-N 3.35Å
244	G	98.9	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.9	-42.7	170.1	0	0	0	0	0	112.7	V240 W241 L247 A248	V240-G244 PolarHBondContact O-N 3.03Å; W241-G244 CarbonylContact O-C 3.57Å; W241-G244 WeakPolarHBondContact O-CA 3.45Å; W241-G244 PolarHBondContact O-N 3.5Å; G244-L247 PolarHBondContact O-N 2.82Å; G244-A248 WeakPolarHBondContact O-CB 3.47Å; G244-A248 PolarHBondContact O-N 2.99Å
245	C	98.9	Very high	98	Very high	2 Å²	2	18 Å²	18	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-62.7	-40.7	173.3	-69.4	0	0	0	0	112.1	Y222 W241 S242 A243 A248 E249 I256	Y222-C245 HydrophobicContact CD1-CB 3.7Å; Y222-C245 HydrophobicContact CE1-CB 4.39Å; W241-C245 PolarHBondContact O-N 3.38Å; S242-C245 WeakPolarHBondContact O-CB 3.4Å; S242-C245 PolarHBondContact O-N 2.83Å; A243-C245 VanDerWaalsContact C-N 3.34Å; A243-C245 PolarHBondContact O-N 3.07Å; C245-A248 PolarHBondContact O-N 2.78Å; C245-E249 WeakPolarHBondContact O-CB 3.48Å; C245-E249 PolarHBondContact O-N 3.17Å; C245-I256 HydrophobicContact CB-CG2 4.48Å
246	V	98.9	Very high	97.9	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-63	-47	175.3	174.4	0	0	0	0	110.9	M162 I182 P184 L187 Y222 S242 A243 A248 E249 L250	M162-V246 HydrophobicContact SD-CB 4.32Å; M162-V246 HydrophobicContact SD-CG1 3.81Å; I182-V246 HydrophobicContact CG2-CG2 4.42Å; P184-V246 HydrophobicContact CG-CG1 4.49Å; P184-V246 HydrophobicContact CG-CG2 4.19Å; L187-V246 HydrophobicContact CD1-CG1 3.95Å; L187-V246 HydrophobicContact CD1-CG2 4.49Å; Y222-V246 HydrophobicContact CD1-CG2 4.11Å; Y222-V246 HydrophobicContact CE1-CG2 4.15Å; S242-V246 WeakPolarHBondContact O-CG2 3.38Å; S242-V246 PolarHBondContact O-N 3.13Å; A243-V246 PolarHBondContact O-N 3.12Å; V246-A248 PolarHBondContact O-N 3.11Å; V246-E249 PolarHBondContact O-N 2.77Å; V246-L250 HydrophobicContact CG1-CD1 4.21Å; V246-L250 HydrophobicContact CG1-CG 4.44Å; V246-L250 WeakPolarHBondContact O-CG 3.14Å; V246-L250 PolarHBondContact O-N 2.82Å
247	L	98.9	Very high	97.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.5	-50.6	176	171.9	62.1	0	0	0	110.8	V158 M162 A243 G244 E249 L250 L251 L329 C330 L333 F352	V158-L247 HydrophobicContact CG1-CD1 3.7Å; M162-L247 HydrophobicContact CE-CB 3.91Å; M162-L247 HydrophobicContact CG-CB 4.29Å; M162-L247 HydrophobicContact CG-CD1 3.96Å; M162-L247 HydrophobicContact SD-CB 4.06Å; A243-L247 PolarHBondContact O-N 3.35Å; G244-L247 PolarHBondContact O-N 2.82Å; L247-E249 VanDerWaalsContact C-N 3.33Å; L247-E249 PolarHBondContact O-N 3.32Å; L247-L250 PolarHBondContact O-N 3.23Å; L247-L251 HydrophobicContact CD1-CD1 3.94Å; L247-L251 HydrophobicContact CD1-CG 4.2Å; L247-L251 HydrophobicContact CG-CD1 4.09Å; L247-L251 VanDerWaalsContact O-CG 3.3Å; L247-L251 WeakPolarHBondContact O-CG 3.48Å; L247-L251 PolarHBondContact O-N 3.38Å; L247-L251 VanDerWaalsContact O-N 3.11Å; L247-L329 HydrophobicContact CD2-CB 4.19Å; L247-L329 HydrophobicContact CD2-CD2 3.82Å; L247-L329 HydrophobicContact CD2-CG 3.79Å; L247-C330 HydrophobicContact CD2-CB 3.95Å; L247-L333 HydrophobicContact CD2-CD1 3.97Å; L247-F352 HydrophobicContact CD1-CE1 4.22Å
248	A	98.4	Very high	97.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-44.2	178.9	0	0	0	0	0	111.9	G244 C245 V246 L250 L251 L252 I256 F318 L334	G244-A248 WeakPolarHBondContact O-CB 3.47Å; G244-A248 PolarHBondContact O-N 2.99Å; C245-A248 PolarHBondContact O-N 2.78Å; V246-A248 PolarHBondContact O-N 3.11Å; A248-L250 VanDerWaalsContact C-N 3.35Å; A248-L250 PolarHBondContact O-N 2.75Å; A248-L251 PolarHBondContact O-N 3.05Å; A248-L252 WeakPolarHBondContact O-CB 3.42Å; A248-L252 VanDerWaalsContact O-CG 3.23Å; A248-L252 WeakPolarHBondContact O-CG 3.38Å; A248-L252 PolarHBondContact O-N 3.18Å; A248-I256 HydrophobicContact CB-CB 3.83Å; A248-I256 HydrophobicContact CB-CD1 3.73Å; A248-I256 HydrophobicContact CB-CG1 4.35Å; A248-I256 HydrophobicContact CB-CG2 3.72Å; A248-F318 HydrophobicContact CB-CE1 4.11Å; A248-F318 HydrophobicContact CB-CZ 4.08Å; A248-L334 HydrophobicContact CB-CD1 4.49Å
249	E	98.1	Very high	97.5	Very high	15 Å²	15	16.1 Å²	16.1	7%	0.07	9%	0.092	C	C	.	.	H	α-helix	trans	-61.5	-40.7	178	177.2	170.9	164.8	0	0	112.4	Y222 C245 V246 L247 L251 L252 G253 Q254	Y222-E249 VanDerWaalsContact CE1-OE2 3.23Å; Y222-E249 WeakPolarHBondContact CE1-OE2 3.46Å; Y222-E249 VanDerWaalsContact CZ-OE2 3.27Å; Y222-E249 PolarHBondContact OH-OE1 2.75Å; Y222-E249 PolarHBondContact OH-OE2 3.47Å; C245-E249 WeakPolarHBondContact O-CB 3.48Å; C245-E249 PolarHBondContact O-N 3.17Å; V246-E249 PolarHBondContact O-N 2.77Å; L247-E249 VanDerWaalsContact C-N 3.33Å; L247-E249 PolarHBondContact O-N 3.32Å; E249-L251 VanDerWaalsContact C-N 3.31Å; E249-L251 PolarHBondContact O-N 3.15Å; E249-L252 PolarHBondContact O-N 2.97Å; E249-G253 WeakPolarHBondContact O-CA 3.47Å; E249-G253 PolarHBondContact O-N 2.97Å; E249-Q254 WeakPolarHBondContact CA-O 3.33Å
250	L	98.2	Very high	97.2	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-34.5	175.8	-69.1	178.6	0	0	0	112.7	V139 A143 L153 V158 M162 V246 L247 A248	V139-L250 HydrophobicContact CG1-CD1 4.34Å; V139-L250 HydrophobicContact CG1-CD2 3.75Å; V139-L250 HydrophobicContact CG1-CG 4.45Å; A143-L250 HydrophobicContact CB-CD2 3.95Å; L153-L250 HydrophobicContact CD2-CD2 4.01Å; V158-L250 HydrophobicContact CG1-CB 4.27Å; V158-L250 HydrophobicContact CG1-CD1 4.38Å; V158-L250 HydrophobicContact CG2-CB 4.23Å; M162-L250 HydrophobicContact CG-CD1 4.36Å; M162-L250 HydrophobicContact SD-CD1 4.15Å; V246-L250 HydrophobicContact CG1-CD1 4.21Å; V246-L250 HydrophobicContact CG1-CG 4.44Å; V246-L250 WeakPolarHBondContact O-CG 3.14Å; V246-L250 PolarHBondContact O-N 2.82Å; L247-L250 PolarHBondContact O-N 3.23Å; A248-L250 VanDerWaalsContact C-N 3.35Å; A248-L250 PolarHBondContact O-N 2.75Å
251	L	96.6	Very high	96.8	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-77	-33.7	178.4	-64.3	173	0	0	0	112.8	V158 L247 A248 E249 F318 R319 T322 A326	V158-L251 HydrophobicContact CG1-CD2 4.17Å; L247-L251 HydrophobicContact CD1-CD1 3.94Å; L247-L251 HydrophobicContact CD1-CG 4.2Å; L247-L251 HydrophobicContact CG-CD1 4.09Å; L247-L251 VanDerWaalsContact O-CG 3.3Å; L247-L251 WeakPolarHBondContact O-CG 3.48Å; L247-L251 PolarHBondContact O-N 3.38Å; L247-L251 VanDerWaalsContact O-N 3.11Å; A248-L251 PolarHBondContact O-N 3.05Å; E249-L251 VanDerWaalsContact C-N 3.31Å; E249-L251 PolarHBondContact O-N 3.15Å; L251-F318 HydrophobicContact CB-CD1 4Å; L251-F318 HydrophobicContact CB-CE1 3.96Å; L251-F318 HydrophobicContact CD1-CD1 4.43Å; L251-F318 HydrophobicContact CD1-CE1 4.05Å; L251-F318 HydrophobicContact CD1-CZ 4.39Å; L251-R319 PolarHBondContact O-NE 3.4Å; L251-T322 HydrophobicContact CB-CG2 4.49Å; L251-T322 HydrophobicContact CD1-CG2 4.13Å; L251-T322 HydrophobicContact CD2-CG2 4.21Å; L251-A326 HydrophobicContact CD1-CB 3.85Å; L251-A326 HydrophobicContact CD2-CB 4.16Å
252	L	94.1	Very high	96.3	Very high	47 Å²	47	25.2 Å²	25.2	25%	0.246	15%	0.152	C	C	.	.	H	α-helix	trans	-88	-29.4	-178.3	-67.5	170.8	0	0	0	113.6	A248 E249 Q254 I256 V317 F318	A248-L252 WeakPolarHBondContact O-CB 3.42Å; A248-L252 VanDerWaalsContact O-CG 3.23Å; A248-L252 WeakPolarHBondContact O-CG 3.38Å; A248-L252 PolarHBondContact O-N 3.18Å; E249-L252 PolarHBondContact O-N 2.97Å; L252-Q254 VanDerWaalsContact C-N 3.28Å; L252-Q254 HydrophobicContact CB-CG 4.36Å; L252-I256 HydrophobicContact CD1-CB 3.78Å; L252-I256 HydrophobicContact CD1-CD1 4.34Å; L252-I256 HydrophobicContact CD1-CG1 3.99Å; L252-V317 WeakPolarHBondContact CD2-O 3.28Å; L252-F318 HydrophobicContact CD1-CE1 4.18Å; L252-F318 HydrophobicContact CD2-CD1 3.61Å; L252-F318 HydrophobicContact CD2-CE1 4.09Å; L252-F318 HydrophobicContact CD2-CG 4.48Å; L252-F318 HydrophobicContact CG-CD1 3.84Å; L252-F318 HydrophobicContact CG-CE1 3.85Å
253	G	94.5	Very high	95.9	Very high	20 Å²	20	30.1 Å²	30.1	21%	0.206	18%	0.181	C	C	.	.	S	Bend	trans	80.5	6	-170.3	0	0	0	0	0	114.4	S147 E249	S147-G253 WeakPolarHBondContact CB-O 3.35Å; S147-G253 PolarHBondContact OG-O 2.7Å; E249-G253 WeakPolarHBondContact O-CA 3.47Å; E249-G253 PolarHBondContact O-N 2.97Å
254	Q	94.8	Very high	95.6	Very high	129 Å²	129	33.3 Å²	33.3	60%	0.603	20%	0.198	S	C	*	.	S	Bend	trans	-155	157.5	177.1	65.9	-178.3	3.9	0	0	110.8	E249 L252 I256	E249-Q254 WeakPolarHBondContact CA-O 3.33Å; L252-Q254 VanDerWaalsContact C-N 3.28Å; L252-Q254 HydrophobicContact CB-CG 4.36Å; Q254-I256 PolarHBondContact O-N 3.4Å
255	P	97.3	Very high	95.4	Very high	37 Å²	37	33.3 Å²	33.3	24%	0.24	20%	0.198	C	C	.	.			trans	-55.9	134.7	177.8	-25.2	34.4	0	0	0	112.3	Y221	Y221-P255 HydrophobicContact CD2-CB 4Å; Y221-P255 HydrophobicContact CD2-CG 3.94Å; Y221-P255 HydrophobicContact CE2-CG 4.29Å; Y221-P255 HydrophobicContact CG-CB 4.43Å
256	I	96.9	Very high	95.2	Very high	16 Å²	16	33.7 Å²	33.7	8%	0.082	20%	0.2	C	C	.	.	S	Bend	trans	-71.9	-31.3	179.6	-174.9	168.3	0	0	0	112.8	C245 A248 L252 Q254 P258 W301 V317 L334	C245-I256 HydrophobicContact CB-CG2 4.48Å; A248-I256 HydrophobicContact CB-CB 3.83Å; A248-I256 HydrophobicContact CB-CD1 3.73Å; A248-I256 HydrophobicContact CB-CG1 4.35Å; A248-I256 HydrophobicContact CB-CG2 3.72Å; L252-I256 HydrophobicContact CD1-CB 3.78Å; L252-I256 HydrophobicContact CD1-CD1 4.34Å; L252-I256 HydrophobicContact CD1-CG1 3.99Å; Q254-I256 PolarHBondContact O-N 3.4Å; I256-P258 WeakPolarHBondContact O-CD 3.4Å; I256-W301 HydrophobicContact CD1-CH2 4.47Å; I256-W301 HydrophobicContact CD1-CZ3 4.11Å; I256-V317 HydrophobicContact CD1-CG1 3.89Å; I256-L334 HydrophobicContact CD1-CD1 4.27Å
257	F	97.6	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.218	C	C	.	.			trans	-126.3	76.8	-178.1	-52.9	-50.2	0	0	0	111.8	Y221 W241 G259 Q265 E268 I269 V272 L334	Y221-F257 WeakPolarHBondContact CD1-O 3.34Å; W241-F257 HydrophobicContact CH2-CE2 4.24Å; W241-F257 HydrophobicContact CZ2-CD2 4.14Å; W241-F257 AromaticContact CZ2-CE2 3.66Å; W241-F257 HydrophobicContact CZ2-CE2 3.66Å; W241-F257 HydrophobicContact CZ2-CZ 4.42Å; F257-G259 PolarHBondContact O-N 3.17Å; F257-Q265 PolarHBondContact O-NE2 3.47Å; F257-Q265 PolarHBondContact O-OE1 2.86Å; F257-E268 HydrophobicContact CB-CB 4.11Å; F257-E268 HydrophobicContact CD1-CB 4.31Å; F257-I269 HydrophobicContact CB-CG1 4.28Å; F257-I269 HydrophobicContact CD1-CB 4.47Å; F257-I269 HydrophobicContact CD1-CG1 3.96Å; F257-I269 HydrophobicContact CD2-CG1 3.87Å; F257-I269 HydrophobicContact CE1-CB 4.46Å; F257-I269 HydrophobicContact CE1-CG1 4.23Å; F257-I269 HydrophobicContact CE2-CG1 4.17Å; F257-I269 HydrophobicContact CG-CG1 3.78Å; F257-I269 HydrophobicContact CZ-CG1 4.34Å; F257-V272 HydrophobicContact CD1-CG2 4.38Å; F257-V272 HydrophobicContact CE1-CB 3.84Å; F257-V272 HydrophobicContact CE1-CG1 4.41Å; F257-V272 HydrophobicContact CE1-CG2 3.69Å; F257-V272 HydrophobicContact CZ-CB 4.5Å; F257-L334 HydrophobicContact CE2-CD1 3.99Å; F257-L334 HydrophobicContact CE2-CD2 4.2Å; F257-L334 HydrophobicContact CZ-CD1 4.1Å
258	P	95.9	Very high	94.7	Very high	57 Å²	57	38.8 Å²	38.8	37%	0.37	23%	0.228	S	C	.	.			trans	-88	79.7	-177.8	35.1	-34.4	0	0	0	112.6	Y221 I256	Y221-P258 HydrophobicContact CE1-CB 4.24Å; I256-P258 WeakPolarHBondContact O-CD 3.4Å
259	G	94.3	Very high	94.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	23%	0.228	C	C	.	.			trans	-91.3	142	176	0	0	0	0	0	114.7	R220 Y221 F257 Q265	R220-G259 WeakPolarHBondContact CD-O 3.49Å; Y221-G259 VanDerWaalsContact CE1-O 3.32Å; Y221-G259 WeakPolarHBondContact CE1-O 3.3Å; F257-G259 PolarHBondContact O-N 3.17Å; G259-Q265 VanDerWaalsContact N-OE1 3.16Å
260	D	92.3	Very high	94.4	Very high	117 Å²	117	38.4 Å²	38.4	63%	0.626	23%	0.226	S	C	*	.	S	Bend	trans	-83.1	-31.1	176.7	-73.6	-37.1	0	0	0	113.3	R220	R220-D260 PolarHBondContact NE-O 3.18Å; R220-D260 PolarHBondContact NH1-O 2.89Å; R220-D260 PolarHBondContact NH2-O 3Å
261	S	92.2	Very high	94.1	Very high	45 Å²	45	42.4 Å²	42.4	32%	0.315	24%	0.243	S	C	.	.	S	Bend	trans	-120.7	177.8	173.2	72.9	0	0	0	0	112.3	V263 D264 Q265	S261-V263 VanDerWaalsContact C-N 3.27Å; S261-V263 PolarHBondContact OG-N 3.29Å; S261-D264 VanDerWaalsContact CB-OD2 3.27Å; S261-D264 WeakPolarHBondContact CB-OD2 3.22Å; S261-D264 PolarHBondContact N-OD2 2.83Å; S261-D264 PolarHBondContact OG-N 3.27Å; S261-D264 VanDerWaalsContact OG-N 3.09Å; S261-D264 PolarHBondContact OG-OD2 3.31Å; S261-Q265 WeakPolarHBondContact O-CB 3.32Å; S261-Q265 PolarHBondContact O-N 3.04Å
262	G	88.5	Confident	93.9	Very high	33 Å²	33	43 Å²	43	34%	0.34	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-34.7	171.9	0	0	0	0	0	112.5	I228 L266	I228-G262 VanDerWaalsContact CG2-O 3.26Å; I228-G262 WeakPolarHBondContact CG2-O 3.23Å; G262-L266 PolarHBondContact O-N 3.04Å
263	V	89.2	Confident	93.9	Very high	104 Å²	104	42.2 Å²	42.2	63%	0.63	24%	0.243	S	C	*	.	H	α-helix	trans	-71	-47.2	177.1	178.2	0	0	0	0	110.5	S261 Q265 L266 V267	S261-V263 VanDerWaalsContact C-N 3.27Å; S261-V263 PolarHBondContact OG-N 3.29Å; V263-Q265 PolarHBondContact O-N 2.98Å; V263-L266 WeakPolarHBondContact O-CB 3.49Å; V263-L266 PolarHBondContact O-N 3.05Å; V263-V267 WeakPolarHBondContact O-CG2 3.32Å; V263-V267 PolarHBondContact O-N 3.25Å
264	D	92.6	Very high	93.9	Very high	68 Å²	68	41.3 Å²	41.3	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-62	-36.7	178.1	-55	-43	0	0	0	111.3	S261 L266 V267 E268	S261-D264 VanDerWaalsContact CB-OD2 3.27Å; S261-D264 WeakPolarHBondContact CB-OD2 3.22Å; S261-D264 PolarHBondContact N-OD2 2.83Å; S261-D264 PolarHBondContact OG-N 3.27Å; S261-D264 VanDerWaalsContact OG-N 3.09Å; S261-D264 PolarHBondContact OG-OD2 3.31Å; D264-L266 VanDerWaalsContact C-N 3.3Å; D264-L266 PolarHBondContact O-N 3.47Å; D264-V267 WeakPolarHBondContact O-CB 3.49Å; D264-V267 PolarHBondContact O-N 2.93Å; D264-V267 VanDerWaalsContact O-N 3.16Å; D264-E268 PolarHBondContact O-N 3.47Å
265	Q	95.6	Very high	93.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-43.4	174.3	-172.8	66.2	36	0	0	111.4	R220 I228 F257 G259 S261 V263 E268 I269	R220-Q265 HydrophobicContact CG-CB 4.39Å; R220-Q265 HydrophobicContact CG-CG 4.4Å; R220-Q265 VanDerWaalsContact O-CD 3.27Å; R220-Q265 PolarHBondContact O-NE2 3.07Å; R220-Q265 PolarHBondContact O-OE1 3.37Å; I228-Q265 HydrophobicContact CD1-CB 4.04Å; I228-Q265 HydrophobicContact CD1-CG 3.54Å; F257-Q265 PolarHBondContact O-NE2 3.47Å; F257-Q265 PolarHBondContact O-OE1 2.86Å; G259-Q265 VanDerWaalsContact N-OE1 3.16Å; S261-Q265 WeakPolarHBondContact O-CB 3.32Å; S261-Q265 PolarHBondContact O-N 3.04Å; V263-Q265 PolarHBondContact O-N 2.98Å; Q265-E268 PolarHBondContact O-N 3.46Å; Q265-I269 HydrophobicContact CG-CD1 4.46Å; Q265-I269 VanDerWaalsContact O-CG1 3.3Å; Q265-I269 WeakPolarHBondContact O-CG1 3.36Å; Q265-I269 PolarHBondContact O-N 3.5Å
266	L	93.8	Very high	93.8	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-37.6	176.3	-174.5	58.6	0	0	0	111.8	I228 F229 G262 V263 D264 I269 I270 F293	I228-L266 HydrophobicContact CG2-CB 4.21Å; F229-L266 HydrophobicContact CE1-CD2 4.06Å; F229-L266 HydrophobicContact CE2-CD1 3.97Å; F229-L266 HydrophobicContact CE2-CD2 4.38Å; F229-L266 HydrophobicContact CZ-CD1 4.03Å; F229-L266 HydrophobicContact CZ-CD2 3.76Å; G262-L266 PolarHBondContact O-N 3.04Å; V263-L266 WeakPolarHBondContact O-CB 3.49Å; V263-L266 PolarHBondContact O-N 3.05Å; D264-L266 VanDerWaalsContact C-N 3.3Å; D264-L266 PolarHBondContact O-N 3.47Å; L266-I269 PolarHBondContact O-N 3.18Å; L266-I270 HydrophobicContact CD1-CD1 4.34Å; L266-I270 HydrophobicContact CD1-CG1 4.43Å; L266-I270 HydrophobicContact CG-CD1 3.92Å; L266-I270 HydrophobicContact CG-CG1 4.45Å; L266-I270 VanDerWaalsContact O-CG1 3.31Å; L266-I270 WeakPolarHBondContact O-CG1 3.46Å; L266-I270 PolarHBondContact O-N 2.97Å; L266-F293 HydrophobicContact CD2-CE1 3.6Å; L266-F293 HydrophobicContact CD2-CZ 3.48Å; L266-F293 VanDerWaalsContact CD2-CZ 3.48Å; L266-F293 HydrophobicContact CG-CE1 4.42Å
267	V	92.6	Very high	93.7	Very high	63 Å²	63	37.1 Å²	37.1	38%	0.382	22%	0.217	S	C	.	.	H	α-helix	trans	-60.1	-45.5	174.9	170.2	0	0	0	0	111.3	V263 D264 I269 I270 K271	V263-V267 WeakPolarHBondContact O-CG2 3.32Å; V263-V267 PolarHBondContact O-N 3.25Å; D264-V267 WeakPolarHBondContact O-CB 3.49Å; D264-V267 PolarHBondContact O-N 2.93Å; D264-V267 VanDerWaalsContact O-N 3.16Å; V267-I269 VanDerWaalsContact C-N 3.3Å; V267-I269 PolarHBondContact O-N 2.66Å; V267-I270 PolarHBondContact O-N 3.39Å; V267-K271 WeakPolarHBondContact O-CG 3.46Å; V267-K271 PolarHBondContact O-N 3.23Å
268	E	95	Very high	93.4	Very high	45 Å²	45	47.1 Å²	47.1	21%	0.21	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-37.5	176.1	-67.3	-52.9	127.8	0	0	112.4	F257 D264 Q265 K271	F257-E268 HydrophobicContact CB-CB 4.11Å; F257-E268 HydrophobicContact CD1-CB 4.31Å; D264-E268 PolarHBondContact O-N 3.47Å; Q265-E268 PolarHBondContact O-N 3.46Å; E268-K271 IonicContact OE1-NZ 2.67Å; E268-K271 PolarHBondContact OE1-NZ 2.87Å; E268-K271 IonicContact OE2-NZ 3.79Å
269	I	96.4	Very high	93.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-47.9	175.2	-64.5	166	0	0	0	110.7	P225 I228 W241 F257 Q265 L266 V267 K271 V272 L273 Y336	P225-I269 HydrophobicContact CB-CD1 4.43Å; I228-I269 HydrophobicContact CD1-CD1 3.82Å; W241-I269 HydrophobicContact CH2-CD1 4.38Å; W241-I269 HydrophobicContact CH2-CG1 4.46Å; W241-I269 HydrophobicContact CH2-CG2 3.77Å; W241-I269 HydrophobicContact CZ2-CD1 3.73Å; W241-I269 HydrophobicContact CZ2-CG1 3.96Å; W241-I269 HydrophobicContact CZ2-CG2 4.12Å; F257-I269 HydrophobicContact CB-CG1 4.28Å; F257-I269 HydrophobicContact CD1-CB 4.47Å; F257-I269 HydrophobicContact CD1-CG1 3.96Å; F257-I269 HydrophobicContact CD2-CG1 3.87Å; F257-I269 HydrophobicContact CE1-CB 4.46Å; F257-I269 HydrophobicContact CE1-CG1 4.23Å; F257-I269 HydrophobicContact CE2-CG1 4.17Å; F257-I269 HydrophobicContact CG-CG1 3.78Å; F257-I269 HydrophobicContact CZ-CG1 4.34Å; Q265-I269 HydrophobicContact CG-CD1 4.46Å; Q265-I269 VanDerWaalsContact O-CG1 3.3Å; Q265-I269 WeakPolarHBondContact O-CG1 3.36Å; Q265-I269 PolarHBondContact O-N 3.5Å; L266-I269 PolarHBondContact O-N 3.18Å; V267-I269 VanDerWaalsContact C-N 3.3Å; V267-I269 PolarHBondContact O-N 2.66Å; I269-K271 VanDerWaalsContact C-N 3.29Å; I269-K271 PolarHBondContact O-N 3.13Å; I269-V272 PolarHBondContact O-N 3.37Å; I269-L273 HydrophobicContact CG2-CD1 3.76Å; I269-L273 HydrophobicContact CG2-CG 4.17Å; I269-L273 PolarHBondContact O-N 3.21Å; I269-Y336 HydrophobicContact CG2-CE1 3.75Å
270	I	94.5	Very high	93.4	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-35.6	-179.6	-71.4	169.3	0	0	0	111.5	L266 V267 V272 G274 F293 I296 Y336	L266-I270 HydrophobicContact CD1-CD1 4.34Å; L266-I270 HydrophobicContact CD1-CG1 4.43Å; L266-I270 HydrophobicContact CG-CD1 3.92Å; L266-I270 HydrophobicContact CG-CG1 4.45Å; L266-I270 VanDerWaalsContact O-CG1 3.31Å; L266-I270 WeakPolarHBondContact O-CG1 3.46Å; L266-I270 PolarHBondContact O-N 2.97Å; V267-I270 PolarHBondContact O-N 3.39Å; I270-V272 PolarHBondContact O-N 3.5Å; I270-G274 CarbonylContact O-C 3.5Å; I270-G274 WeakPolarHBondContact O-CA 3.37Å; I270-G274 PolarHBondContact O-N 3.02Å; I270-F293 HydrophobicContact CD1-CD1 3.72Å; I270-F293 HydrophobicContact CD1-CE1 4.11Å; I270-F293 HydrophobicContact CD1-CG 4.15Å; I270-I296 HydrophobicContact CG2-CB 3.92Å; I270-I296 HydrophobicContact CG2-CD1 3.72Å; I270-I296 HydrophobicContact CG2-CG1 4.29Å; I270-I296 HydrophobicContact CG2-CG2 4.32Å; I270-Y336 WeakPolarHBondContact CG1-OH 3.35Å
271	K	90.4	Very high	93.5	Very high	89 Å²	89	48.1 Å²	48.1	39%	0.387	25%	0.252	S	S	.	.	H	α-helix	trans	-56	-39.4	174.4	-75.1	171.2	-176.6	170	0	111.2	V267 E268 I269 H299	V267-K271 WeakPolarHBondContact O-CG 3.46Å; V267-K271 PolarHBondContact O-N 3.23Å; E268-K271 IonicContact OE1-NZ 2.67Å; E268-K271 PolarHBondContact OE1-NZ 2.87Å; E268-K271 IonicContact OE2-NZ 3.79Å; I269-K271 VanDerWaalsContact C-N 3.29Å; I269-K271 PolarHBondContact O-N 3.13Å; K271-H299 PolarHBondContact O-CD2 2.88Å
272	V	92.7	Very high	93.6	Very high	16 Å²	16	53.3 Å²	53.3	10%	0.097	26%	0.264	C	S	.	.	H	α-helix	trans	-85.2	-54.2	-179	179.9	0	0	0	0	111.7	F257 I269 I270 H299 W301 V317	F257-V272 HydrophobicContact CD1-CG2 4.38Å; F257-V272 HydrophobicContact CE1-CB 3.84Å; F257-V272 HydrophobicContact CE1-CG1 4.41Å; F257-V272 HydrophobicContact CE1-CG2 3.69Å; F257-V272 HydrophobicContact CZ-CB 4.5Å; I269-V272 PolarHBondContact O-N 3.37Å; I270-V272 PolarHBondContact O-N 3.5Å; V272-H299 PolarHBondContact O-N 2.63Å; V272-W301 HydrophobicContact CG1-CH2 3.91Å; V272-W301 HydrophobicContact CG1-CZ2 4.31Å; V272-W301 HydrophobicContact CG1-CZ3 4.02Å; V272-V317 HydrophobicContact CG1-CG1 4.45Å; V272-V317 HydrophobicContact CG1-CG2 3.87Å
273	L	95.3	Very high	94	Very high	29 Å²	29	55.4 Å²	55.4	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-85.5	-8.9	-171.8	-57.6	-172.6	0	0	0	114	W241 I269 A298 W301 L334 Y336	W241-L273 HydrophobicContact CH2-CD1 3.69Å; W241-L273 HydrophobicContact CZ3-CD1 3.98Å; I269-L273 HydrophobicContact CG2-CD1 3.76Å; I269-L273 HydrophobicContact CG2-CG 4.17Å; I269-L273 PolarHBondContact O-N 3.21Å; L273-A298 VanDerWaalsContact O-CB 3.32Å; L273-A298 WeakPolarHBondContact O-CB 3.41Å; L273-W301 HydrophobicContact CD2-CH2 4.03Å; L273-W301 HydrophobicContact CD2-CZ2 3.36Å; L273-L334 WeakPolarHBondContact CD1-O 3.29Å; L273-L334 WeakPolarHBondContact CD2-O 3.39Å; L273-Y336 HydrophobicContact CB-CD2 4.28Å; L273-Y336 HydrophobicContact CB-CE2 3.51Å; L273-Y336 HydrophobicContact CD1-CD1 4.47Å; L273-Y336 HydrophobicContact CD1-CD2 4.23Å; L273-Y336 HydrophobicContact CD1-CE1 4.26Å; L273-Y336 HydrophobicContact CD1-CE2 4.01Å; L273-Y336 HydrophobicContact CD1-CG 4.45Å; L273-Y336 HydrophobicContact CG-CE2 4.42Å
274	G	94.9	Very high	94.4	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.021	24%	0.236	C	C	.	.			trans	76.8	178	-168.4	0	0	0	0	0	112	I270 I296 Y336	I270-G274 CarbonylContact O-C 3.5Å; I270-G274 WeakPolarHBondContact O-CA 3.37Å; I270-G274 PolarHBondContact O-N 3.02Å; G274-I296 CarbonylContact C-O 3.52Å; G274-I296 WeakPolarHBondContact CA-O 3.23Å; G274-Y336 WeakPolarHBondContact O-CE2 3.49Å; G274-Y336 PolarHBondContact O-OH 3.28Å
275	T	94.8	Very high	94.5	Very high	19 Å²	19	48 Å²	48	12%	0.117	22%	0.222	C	C	.	.	S	Bend	trans	-69.4	128.4	178.2	-57.9	0	0	0	0	110.1	T277 F293 P294 I296	T275-T277 PolarHBondContact O-N 3.19Å; T275-F293 HydrophobicContact CG2-CB 3.62Å; T275-F293 HydrophobicContact CG2-CG 4.48Å; T275-P294 PolarHBondContact OG1-O 3.01Å; T275-I296 PolarHBondContact N-O 3.03Å; T275-I296 PolarHBondContact OG1-N 2.65Å
276	P	94.9	Very high	94.4	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.039	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-63.2	139.2	179	26.3	-34	0	0	0	110.5	Q280 I281 M284 Y336	P276-Q280 HydrophobicContact CB-CB 4.19Å; P276-I281 HydrophobicContact CB-CG1 3.98Å; P276-I281 HydrophobicContact CG-CD1 4.17Å; P276-I281 HydrophobicContact CG-CG1 3.89Å; P276-M284 HydrophobicContact CB-CE 3.95Å; P276-M284 HydrophobicContact CG-CE 4.34Å; P276-Y336 HydrophobicContact CB-CD1 4.17Å; P276-Y336 HydrophobicContact CB-CD2 3.84Å; P276-Y336 HydrophobicContact CB-CE1 4.13Å; P276-Y336 HydrophobicContact CB-CE2 3.79Å; P276-Y336 HydrophobicContact CB-CG 4.03Å; P276-Y336 HydrophobicContact CG-CE1 4.32Å; P276-Y336 HydrophobicContact CG-CE2 4.43Å
277	T	93.6	Very high	94.2	Very high	68 Å²	68	57.2 Å²	57.2	42%	0.417	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-65	163.4	172.3	59.4	0	0	0	0	111.1	T275 E279 Q280 I281	T275-T277 PolarHBondContact O-N 3.19Å; T277-E279 PolarHBondContact O-N 2.88Å; T277-Q280 PolarHBondContact O-N 3.5Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.22Å; T277-Q280 VanDerWaalsContact OG1-CD 3.29Å; T277-Q280 VanDerWaalsContact OG1-CG 3.23Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.26Å; T277-Q280 PolarHBondContact OG1-N 3.07Å; T277-Q280 PolarHBondContact OG1-OE1 3.26Å; T277-I281 WeakPolarHBondContact O-CG1 3.33Å; T277-I281 PolarHBondContact O-N 3.43Å
278	R	91.3	Very high	93.7	Very high	211 Å²	211	57.1 Å²	57.1	80%	0.796	27%	0.269	S	S	*	.	H	α-helix	trans	-59.9	-39	177.7	-175.6	179.1	179.5	179.1	-1.1	111.4	I281 R282	R278-I281 PolarHBondContact O-N 2.99Å; R278-R282 WeakPolarHBondContact O-CB 3.27Å; R278-R282 PolarHBondContact O-N 2.76Å
279	E	94.4	Very high	92.6	Very high	119 Å²	119	61.4 Å²	61.4	56%	0.556	30%	0.298	S	S	*	.	H	α-helix	trans	-64.4	-47	177.5	-66	65.8	-143.8	0	0	110.2	T277 I281 R282 E283	T277-E279 PolarHBondContact O-N 2.88Å; E279-I281 PolarHBondContact O-N 3.12Å; E279-R282 WeakPolarHBondContact O-CB 3.38Å; E279-R282 PolarHBondContact O-N 3.33Å; E279-R282 VanDerWaalsContact O-N 3.17Å; E279-E283 WeakPolarHBondContact O-CG 3.42Å; E279-E283 PolarHBondContact O-N 3.26Å
280	Q	96.4	Very high	91.2	Very high	44 Å²	44	67.4 Å²	67.4	21%	0.206	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-42.3	175.4	-77.5	166.1	-35.4	0	0	112.5	P276 T277 R282 E283 M284 T337	P276-Q280 HydrophobicContact CB-CB 4.19Å; T277-Q280 PolarHBondContact O-N 3.5Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.22Å; T277-Q280 VanDerWaalsContact OG1-CD 3.29Å; T277-Q280 VanDerWaalsContact OG1-CG 3.23Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.26Å; T277-Q280 PolarHBondContact OG1-N 3.07Å; T277-Q280 PolarHBondContact OG1-OE1 3.26Å; Q280-R282 VanDerWaalsContact C-N 3.31Å; Q280-R282 PolarHBondContact O-N 2.94Å; Q280-E283 PolarHBondContact O-N 3.4Å; Q280-M284 WeakPolarHBondContact O-CE 3.33Å; Q280-M284 WeakPolarHBondContact O-CG 3.1Å; Q280-M284 PolarHBondContact O-N 3.17Å; Q280-T337 WeakPolarHBondContact CG-OG1 3.3Å
281	I	95.1	Very high	89.7	Confident	33 Å²	33	74 Å²	74	17%	0.169	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-44.4	174.9	-66.7	170.3	0	0	0	110.3	P276 T277 R278 E279 E283 M284 N285 Y288	P276-I281 HydrophobicContact CB-CG1 3.98Å; P276-I281 HydrophobicContact CG-CD1 4.17Å; P276-I281 HydrophobicContact CG-CG1 3.89Å; T277-I281 WeakPolarHBondContact O-CG1 3.33Å; T277-I281 PolarHBondContact O-N 3.43Å; R278-I281 PolarHBondContact O-N 2.99Å; E279-I281 PolarHBondContact O-N 3.12Å; I281-E283 VanDerWaalsContact C-N 3.35Å; I281-E283 PolarHBondContact O-N 3.24Å; I281-M284 HydrophobicContact CG1-CE 4.24Å; I281-M284 PolarHBondContact O-N 3.44Å; I281-M284 VanDerWaalsContact O-N 3.14Å; I281-N285 CarbonylContact O-C 3.52Å; I281-N285 PolarHBondContact O-N 3.1Å; I281-Y288 HydrophobicContact CG2-CD1 4.15Å
282	R	94.1	Very high	88.7	Confident	153 Å²	153	79.8 Å²	79.8	58%	0.577	38%	0.38	S	S	*	.	H	α-helix	trans	-61.7	-40.8	177.8	-170.3	-165.7	72.8	129	3.4	112.4	R278 E279 Q280 M284 P286	R278-R282 WeakPolarHBondContact O-CB 3.27Å; R278-R282 PolarHBondContact O-N 2.76Å; E279-R282 WeakPolarHBondContact O-CB 3.38Å; E279-R282 PolarHBondContact O-N 3.33Å; E279-R282 VanDerWaalsContact O-N 3.17Å; Q280-R282 VanDerWaalsContact C-N 3.31Å; Q280-R282 PolarHBondContact O-N 2.94Å; R282-M284 VanDerWaalsContact C-N 3.29Å; R282-P286 HydrophobicContact CG-CB 4.32Å; R282-P286 WeakPolarHBondContact O-CD 3.27Å
283	E	97.1	Very high	88.1	Confident	77 Å²	77	81 Å²	81	36%	0.36	38%	0.384	S	S	.	.	H	α-helix	trans	-68.1	-27.8	175.7	-65.4	-60.8	137.8	0	0	112.7	E279 Q280 I281 T337	E279-E283 WeakPolarHBondContact O-CG 3.42Å; E279-E283 PolarHBondContact O-N 3.26Å; Q280-E283 PolarHBondContact O-N 3.4Å; I281-E283 VanDerWaalsContact C-N 3.35Å; I281-E283 PolarHBondContact O-N 3.24Å; E283-T337 HydrophobicContact CB-CG2 4.03Å; E283-T337 HydrophobicContact CG-CG2 3.93Å
284	M	96.7	Very high	87.4	Confident	4 Å²	4	84.1 Å²	84.1	2%	0.02	41%	0.406	C	S	.	.	H	α-helix	trans	-81	-47.9	176.7	-74.6	-174.2	-68.1	0	0	112.6	P225 E226 F229 A231 P276 Q280 I281 R282 Y336	P225-M284 HydrophobicContact CB-SD 3.56Å; P225-M284 VanDerWaalsContact CB-SD 3.56Å; P225-M284 HydrophobicContact CG-SD 3.59Å; P225-M284 VanDerWaalsContact CG-SD 3.59Å; E226-M284 HydrophobicContact CB-CB 3.89Å; E226-M284 HydrophobicContact CB-CG 4.17Å; E226-M284 VanDerWaalsContact CB-O 3.32Å; E226-M284 WeakPolarHBondContact CB-O 3.48Å; F229-M284 HydrophobicContact CD2-CB 4.22Å; F229-M284 HydrophobicContact CD2-CE 3.79Å; F229-M284 HydrophobicContact CD2-SD 3.79Å; F229-M284 HydrophobicContact CE2-CE 3.33Å; F229-M284 HydrophobicContact CE2-SD 3.76Å; F229-M284 HydrophobicContact CZ-CE 4.13Å; A231-M284 VanDerWaalsContact CB-O 3.32Å; A231-M284 WeakPolarHBondContact CB-O 3.14Å; P276-M284 HydrophobicContact CB-CE 3.95Å; P276-M284 HydrophobicContact CG-CE 4.34Å; Q280-M284 WeakPolarHBondContact O-CE 3.33Å; Q280-M284 WeakPolarHBondContact O-CG 3.1Å; Q280-M284 PolarHBondContact O-N 3.17Å; I281-M284 HydrophobicContact CG1-CE 4.24Å; I281-M284 PolarHBondContact O-N 3.44Å; I281-M284 VanDerWaalsContact O-N 3.14Å; R282-M284 VanDerWaalsContact C-N 3.29Å; M284-Y336 HydrophobicContact CE-CD1 3.77Å; M284-Y336 HydrophobicContact CE-CE1 4.44Å; M284-Y336 HydrophobicContact CE-CG 4.26Å; M284-Y336 VanDerWaalsContact CG-O 3.27Å; M284-Y336 WeakPolarHBondContact CG-O 3.47Å; M284-Y336 HydrophobicContact SD-CD1 3.62Å; M284-Y336 HydrophobicContact SD-CE1 4.5Å; M284-Y336 HydrophobicContact SD-CG 4.33Å
285	N	95.8	Very high	87	Confident	14 Å²	14	92.1 Å²	92.1	8%	0.075	44%	0.443	C	S	.	.			trans	-156	106.4	173.5	-177.8	-0.4	0	0	0	109.9	F229 A231 I281 N287 Y288	F229-N285 HydrophobicContact CB-CB 4.01Å; F229-N285 PolarHBondContact O-ND2 3.39Å; A231-N285 HydrophobicContact CB-CB 4.2Å; I281-N285 CarbonylContact O-C 3.52Å; I281-N285 PolarHBondContact O-N 3.1Å; N285-N287 PolarHBondContact O-N 2.69Å; N285-N287 WeakPolarHBondContact OD1-CB 3.41Å; N285-N287 PolarHBondContact OD1-N 2.9Å; N285-Y288 WeakPolarHBondContact O-CB 3.48Å; N285-Y288 PolarHBondContact O-N 2.96Å; N285-Y288 VanDerWaalsContact O-N 3.13Å
286	P	91.8	Very high	86.8	Confident	76 Å²	76	94.6 Å²	94.6	49%	0.494	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19	-178.5	27.6	-35.1	0	0	0	113.4	R282 Y288	R282-P286 HydrophobicContact CG-CB 4.32Å; R282-P286 WeakPolarHBondContact O-CD 3.27Å; P286-Y288 VanDerWaalsContact C-N 3.33Å
287	N	89.4	Confident	86.4	Confident	126 Å²	126	103.1 Å²	103.1	67%	0.674	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.7	179.1	-58.7	-52.3	0	0	0	112.9	N285 T289	N285-N287 PolarHBondContact O-N 2.69Å; N285-N287 WeakPolarHBondContact OD1-CB 3.41Å; N285-N287 PolarHBondContact OD1-N 2.9Å; N287-T289 PolarHBondContact O-N 3.1Å
288	Y	82.7	Confident	86	Confident	61 Å²	61	102.7 Å²	102.7	24%	0.239	50%	0.495	C	S	.	.			trans	-76.9	106.2	-179.6	-164.2	-103.3	0	0	0	110.2	F229 I281 N285 P286 E290 F291	F229-Y288 HydrophobicContact CB-CD2 4.32Å; F229-Y288 AromaticContact CD1-CD1 3.5Å; F229-Y288 HydrophobicContact CD1-CD1 3.5Å; F229-Y288 VanDerWaalsContact CD1-CD1 3.5Å; F229-Y288 AromaticContact CD1-CD2 3.73Å; F229-Y288 HydrophobicContact CD1-CD2 3.73Å; F229-Y288 AromaticContact CD1-CE1 3.41Å; F229-Y288 HydrophobicContact CD1-CE1 3.41Å; F229-Y288 VanDerWaalsContact CD1-CE1 3.41Å; F229-Y288 AromaticContact CD1-CE2 3.69Å; F229-Y288 HydrophobicContact CD1-CE2 3.69Å; F229-Y288 AromaticContact CD1-CG 3.64Å; F229-Y288 HydrophobicContact CD1-CG 3.64Å; F229-Y288 AromaticContact CD1-CZ 3.52Å; F229-Y288 AromaticContact CE1-CD1 3.71Å; F229-Y288 HydrophobicContact CE1-CD1 3.71Å; F229-Y288 AromaticContact CE1-CE1 3.35Å; F229-Y288 HydrophobicContact CE1-CE1 3.35Å; F229-Y288 HydrophobicContact CE1-CE2 4.37Å; F229-Y288 HydrophobicContact CE1-CG 4.32Å; F229-Y288 AromaticContact CE1-CZ 3.74Å; I281-Y288 HydrophobicContact CG2-CD1 4.15Å; N285-Y288 WeakPolarHBondContact O-CB 3.48Å; N285-Y288 PolarHBondContact O-N 2.96Å; N285-Y288 VanDerWaalsContact O-N 3.13Å; P286-Y288 VanDerWaalsContact C-N 3.33Å; Y288-E290 WeakPolarHBondContact CD1-O 3.38Å; Y288-E290 WeakPolarHBondContact CE1-O 3.39Å; Y288-F291 WeakPolarHBondContact OH-CD2 3.49Å
289	T	71.3	Confident	85.6	Confident	135 Å²	135	96.2 Å²	96.2	83%	0.828	47%	0.473	S	S	*	.			trans	-104.4	-6.6	-176.5	51.6	0	0	0	0	113.4	N287	N287-T289 PolarHBondContact O-N 3.1Å
290	E	67.1	Low	84.8	Confident	125 Å²	125	93.4 Å²	93.4	58%	0.584	47%	0.465	S	S	*	.			trans	-100.3	156.1	-172.2	-65.2	-166.8	160.3	0	0	113.2	Y288	Y288-E290 WeakPolarHBondContact CD1-O 3.38Å; Y288-E290 WeakPolarHBondContact CE1-O 3.39Å
291	F	63.7	Low	84	Confident	147 Å²	147	93.7 Å²	93.7	65%	0.645	46%	0.464	S	S	*	.			trans	72.6	118.5	172.9	-68.4	-86.8	0	0	0	119	Y288 F293	Y288-F291 WeakPolarHBondContact OH-CD2 3.49Å; F291-F293 HydrophobicContact CB-CE1 4.4Å; F291-F293 HydrophobicContact CB-CE2 4.22Å; F291-F293 HydrophobicContact CB-CZ 4.03Å
292	K	70.5	Confident	82.7	Confident	210 Å²	210	95.6 Å²	95.6	91%	0.913	48%	0.478	S	S	*	.			trans	-83.2	112.9	152.7	-73	-176.8	178	179.4	0	108
293	F	78.3	Confident	80.8	Confident	42 Å²	42	95.7 Å²	95.7	18%	0.184	48%	0.482	C	S	.	.			trans	-77.4	143	168.1	-63.5	-75.3	0	0	0	109.8	F229 L266 I270 T275 F291	F229-F293 HydrophobicContact CE1-CE2 4.01Å; F229-F293 AromaticContact CE1-CZ 4Å; F229-F293 HydrophobicContact CE1-CZ 4Å; F229-F293 HydrophobicContact CZ-CE2 4.14Å; F229-F293 HydrophobicContact CZ-CZ 4.2Å; L266-F293 HydrophobicContact CD2-CE1 3.6Å; L266-F293 HydrophobicContact CD2-CZ 3.48Å; L266-F293 VanDerWaalsContact CD2-CZ 3.48Å; L266-F293 HydrophobicContact CG-CE1 4.42Å; I270-F293 HydrophobicContact CD1-CD1 3.72Å; I270-F293 HydrophobicContact CD1-CE1 4.11Å; I270-F293 HydrophobicContact CD1-CG 4.15Å; T275-F293 HydrophobicContact CG2-CB 3.62Å; T275-F293 HydrophobicContact CG2-CG 4.48Å; F291-F293 HydrophobicContact CB-CE1 4.4Å; F291-F293 HydrophobicContact CB-CE2 4.22Å; F291-F293 HydrophobicContact CB-CZ 4.03Å
294	P	81.6	Confident	78.6	Confident	94 Å²	94	95.7 Å²	95.7	61%	0.61	49%	0.485	S	S	*	.			trans	-52.6	142.7	162.9	-22.2	32.9	0	0	0	109.6	T275 I296	T275-P294 PolarHBondContact OG1-O 3.01Å; P294-I296 HydrophobicContact CB-CG1 4.49Å; P294-I296 PolarHBondContact O-N 3.44Å
295	Q	86.5	Confident	76.1	Confident	170 Å²	170	101.3 Å²	101.3	79%	0.794	52%	0.524	S	S	*	.			trans	-78	105.3	177	-70.9	-64.1	-28.8	0	0	109.4
296	I	89.7	Confident	73.6	Confident	72 Å²	72	103.7 Å²	103.7	37%	0.369	54%	0.542	S	S	.	.			trans	-110.9	126.5	179.1	-63.6	174.4	0	0	0	107.1	I270 G274 T275 P294	I270-I296 HydrophobicContact CG2-CB 3.92Å; I270-I296 HydrophobicContact CG2-CD1 3.72Å; I270-I296 HydrophobicContact CG2-CG1 4.29Å; I270-I296 HydrophobicContact CG2-CG2 4.32Å; G274-I296 CarbonylContact C-O 3.52Å; G274-I296 WeakPolarHBondContact CA-O 3.23Å; T275-I296 PolarHBondContact N-O 3.03Å; T275-I296 PolarHBondContact OG1-N 2.65Å; P294-I296 HydrophobicContact CB-CG1 4.49Å; P294-I296 PolarHBondContact O-N 3.44Å
297	K	87.9	Confident	71.1	Confident	185 Å²	185	104 Å²	104	80%	0.804	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-72.8	142.9	174.3	-67.8	-173.6	178.6	-177.9	0	109.6
298	A	85.5	Confident	68.6	Low	59 Å²	59	104.4 Å²	104.4	49%	0.488	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-56.2	139.8	174.1	0	0	0	0	0	111.3	L273	L273-A298 VanDerWaalsContact O-CB 3.32Å; L273-A298 WeakPolarHBondContact O-CB 3.41Å
299	H	81.8	Confident	66.6	Low	75 Å²	75	103.3 Å²	103.3	35%	0.347	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-77	129.6	167	-82.2	-44.1	0	0	0	109	K271 V272 W301 V317	K271-H299 PolarHBondContact O-CD2 2.88Å; V272-H299 PolarHBondContact O-N 2.63Å; H299-W301 PolarHBondContact O-N 3.34Å; H299-V317 HydrophobicContact CB-CG2 4.36Å
300	P	78.4	Confident	65	Low	59 Å²	59	107.1 Å²	107.1	38%	0.383	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-56.3	130.2	175.3	-27.5	36.5	0	0	0	111.8	T302	P300-T302 WeakPolarHBondContact CB-O 3.44Å; P300-T302 PolarHBondContact O-N 2.73Å
301	W	79.3	Confident	64.1	Low	50 Å²	50	107.2 Å²	107.2	19%	0.189	58%	0.58	C	S	.	*	S	Bend	trans	-61.7	-31.7	172.8	-69.4	109.9	0	0	0	112.1	I256 V272 L273 H299 V317 F318 I327 L334	I256-W301 HydrophobicContact CD1-CH2 4.47Å; I256-W301 HydrophobicContact CD1-CZ3 4.11Å; V272-W301 HydrophobicContact CG1-CH2 3.91Å; V272-W301 HydrophobicContact CG1-CZ2 4.31Å; V272-W301 HydrophobicContact CG1-CZ3 4.02Å; L273-W301 HydrophobicContact CD2-CH2 4.03Å; L273-W301 HydrophobicContact CD2-CZ2 3.36Å; H299-W301 PolarHBondContact O-N 3.34Å; W301-V317 HydrophobicContact CE3-CB 4.34Å; W301-V317 HydrophobicContact CE3-CG1 4.17Å; W301-V317 HydrophobicContact CE3-CG2 4.31Å; W301-V317 HydrophobicContact CZ3-CG1 4.09Å; W301-F318 HydrophobicContact CE3-CD2 4.29Å; W301-F318 AromaticContact CE3-CE2 3.54Å; W301-F318 HydrophobicContact CE3-CE2 3.54Å; W301-F318 HydrophobicContact CE3-CZ 4.34Å; W301-F318 AromaticContact CZ3-CE2 3.75Å; W301-F318 HydrophobicContact CZ3-CE2 3.75Å; W301-F318 HydrophobicContact CZ3-CZ 4.08Å; W301-I327 HydrophobicContact CB-CG2 3.59Å; W301-I327 HydrophobicContact CG-CG2 4.49Å; W301-L334 HydrophobicContact CH2-CB 4.04Å; W301-L334 HydrophobicContact CH2-CD1 3.79Å; W301-L334 HydrophobicContact CZ2-CB 4.19Å; W301-L334 HydrophobicContact CZ3-CD1 4.5Å
302	T	67.5	Low	63	Low	74 Å²	74	106 Å²	106	45%	0.454	59%	0.585	S	S	.	*	S	Bend	trans	-124.2	166.8	176.1	56.2	0	0	0	0	111.4	P300 D304 I327	P300-T302 WeakPolarHBondContact CB-O 3.44Å; P300-T302 PolarHBondContact O-N 2.73Å; T302-D304 PolarHBondContact O-N 2.87Å; T302-I327 HydrophobicContact CG2-CB 4.36Å; T302-I327 HydrophobicContact CG2-CD1 3.78Å; T302-I327 HydrophobicContact CG2-CG2 3.81Å
303	K	54.9	Low	61.4	Low	154 Å²	154	102.1 Å²	102.1	67%	0.67	58%	0.582	S	S	*	*			trans	-68.5	125.8	168.9	-157.9	-163.5	-176.1	-175.2	0	108.2	S305	K303-S305 PolarHBondContact O-N 2.81Å
304	D	50.9	Low	59.9	Low	77 Å²	77	103.3 Å²	103.3	41%	0.412	61%	0.605	S	S	.	*			trans	-66	123.2	161	-167.7	-5.6	0	0	0	108.7	T302 S306	T302-D304 PolarHBondContact O-N 2.87Å; D304-S306 VanDerWaalsContact C-N 3.33Å; D304-S306 WeakPolarHBondContact OD1-CA 3.08Å; D304-S306 WeakPolarHBondContact OD1-CB 3.33Å; D304-S306 PolarHBondContact OD1-N 3.38Å; D304-S306 PolarHBondContact OD1-OG 2.69Å; D304-S306 PolarHBondContact OD2-OG 2.79Å
305	S	43.9	Very low	58.6	Low	122 Å²	122	102.8 Å²	102.8	85%	0.853	60%	0.6	S	S	*	*			trans	-84.4	-8.8	171.8	39	0	0	0	0	112.6	K303 G307	K303-S305 PolarHBondContact O-N 2.81Å; S305-G307 PolarHBondContact O-N 3.32Å
306	S	42.4	Very low	57.8	Low	64 Å²	64	99.5 Å²	99.5	45%	0.448	58%	0.58	S	S	.	*			trans	-87.8	92.3	174.8	71.9	0	0	0	0	110.4	D304 T308	D304-S306 VanDerWaalsContact C-N 3.33Å; D304-S306 WeakPolarHBondContact OD1-CA 3.08Å; D304-S306 WeakPolarHBondContact OD1-CB 3.33Å; D304-S306 PolarHBondContact OD1-N 3.38Å; D304-S306 PolarHBondContact OD1-OG 2.69Å; D304-S306 PolarHBondContact OD2-OG 2.79Å; S306-T308 PolarHBondContact O-N 2.81Å
307	G	40.3	Very low	57.6	Low	83 Å²	83	97.4 Å²	97.4	86%	0.856	57%	0.571	S	S	*	*			trans	-71.8	61.2	-176.4	0	0	0	0	0	115	S305	S305-G307 PolarHBondContact O-N 3.32Å
308	T	36.7	Very low	57.6	Low	134 Å²	134	88.9 Å²	88.9	82%	0.822	53%	0.534	S	S	*	.			trans	-124.1	6.4	-179.5	52.1	0	0	0	0	115.4	S306	S306-T308 PolarHBondContact O-N 2.81Å
309	G	40.3	Very low	57.7	Low	38 Å²	38	90.1 Å²	90.1	39%	0.392	53%	0.526	S	S	.	.	S	Bend	trans	-114.5	140.9	173.7	0	0	0	0	0	113	F311	G309-F311 WeakPolarHBondContact O-CD2 3.45Å; G309-F311 PolarHBondContact O-N 2.9Å
310	H	37.3	Very low	57.9	Low	215 Å²	215	91.6 Å²	91.6	100%	0.995	54%	0.542	S	S	*	.			trans	-62.6	75.2	160.9	-104.5	76.2	0	0	0	109.1
311	F	49.2	Very low	58.4	Low	128 Å²	128	99.5 Å²	99.5	56%	0.561	56%	0.564	S	S	*	*			trans	-99.9	140	174.1	-66.7	-71.8	0	0	0	109.1	G309 P313	G309-F311 WeakPolarHBondContact O-CD2 3.45Å; G309-F311 PolarHBondContact O-N 2.9Å; F311-P313 WeakPolarHBondContact O-CD 3.33Å; F311-P313 VanDerWaalsContact O-N 3.09Å
312	T	40.7	Very low	59.1	Low	121 Å²	121	97.6 Å²	97.6	74%	0.742	56%	0.558	S	S	*	*			trans	-56.6	114.1	171.6	-38.1	0	0	0	0	108.8	G314	T312-G314 PolarHBondContact O-N 3.31Å
313	P	37.1	Very low	60.5	Low	129 Å²	129	95.4 Å²	95.4	84%	0.838	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	121.5	-178.4	-18.8	31	0	0	0	109.8	F311	F311-P313 WeakPolarHBondContact O-CD 3.33Å; F311-P313 VanDerWaalsContact O-N 3.09Å
314	G	46.5	Very low	62.5	Low	66 Å²	66	92 Å²	92	68%	0.68	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.8	-6.5	160	0	0	0	0	0	118.8	T312 R316	T312-G314 PolarHBondContact O-N 3.31Å; G314-R316 PolarHBondContact O-N 3.27Å
315	V	53.7	Low	64.7	Low	83 Å²	83	92.4 Å²	92.4	50%	0.503	54%	0.538	S	S	.	.			trans	-93.4	103.7	179.4	-172	0	0	0	0	110.4
316	R	70.5	Confident	67.3	Low	101 Å²	101	86.6 Å²	86.6	38%	0.381	50%	0.498	S	S	.	.			trans	-113.5	140.9	167.4	-72.8	179.9	-83.1	-106.7	-0.8	108.2	G314 F318	G314-R316 PolarHBondContact O-N 3.27Å; R316-F318 WeakPolarHBondContact CB-O 3.4Å
317	V	84.5	Confident	69.9	Low	28 Å²	28	84.2 Å²	84.2	17%	0.17	48%	0.48	C	S	.	.	S	Bend	trans	-60	-53.4	174.1	-179.3	0	0	0	0	109.3	L252 I256 V272 H299 W301	L252-V317 WeakPolarHBondContact CD2-O 3.28Å; I256-V317 HydrophobicContact CD1-CG1 3.89Å; V272-V317 HydrophobicContact CG1-CG1 4.45Å; V272-V317 HydrophobicContact CG1-CG2 3.87Å; H299-V317 HydrophobicContact CB-CG2 4.36Å; W301-V317 HydrophobicContact CE3-CB 4.34Å; W301-V317 HydrophobicContact CE3-CG1 4.17Å; W301-V317 HydrophobicContact CE3-CG2 4.31Å; W301-V317 HydrophobicContact CZ3-CG1 4.09Å
318	F	88.9	Confident	72.6	Confident	6 Å²	6	82.2 Å²	82.2	3%	0.026	46%	0.456	C	S	.	.	S	Bend	trans	-102	154.3	-179.1	-59.7	-71.2	0	0	0	112.9	A248 L251 L252 W301 R316 T322 I327 C330	A248-F318 HydrophobicContact CB-CE1 4.11Å; A248-F318 HydrophobicContact CB-CZ 4.08Å; L251-F318 HydrophobicContact CB-CD1 4Å; L251-F318 HydrophobicContact CB-CE1 3.96Å; L251-F318 HydrophobicContact CD1-CD1 4.43Å; L251-F318 HydrophobicContact CD1-CE1 4.05Å; L251-F318 HydrophobicContact CD1-CZ 4.39Å; L252-F318 HydrophobicContact CD1-CE1 4.18Å; L252-F318 HydrophobicContact CD2-CD1 3.61Å; L252-F318 HydrophobicContact CD2-CE1 4.09Å; L252-F318 HydrophobicContact CD2-CG 4.48Å; L252-F318 HydrophobicContact CG-CD1 3.84Å; L252-F318 HydrophobicContact CG-CE1 3.85Å; W301-F318 HydrophobicContact CE3-CD2 4.29Å; W301-F318 AromaticContact CE3-CE2 3.54Å; W301-F318 HydrophobicContact CE3-CE2 3.54Å; W301-F318 HydrophobicContact CE3-CZ 4.34Å; W301-F318 AromaticContact CZ3-CE2 3.75Å; W301-F318 HydrophobicContact CZ3-CE2 3.75Å; W301-F318 HydrophobicContact CZ3-CZ 4.08Å; R316-F318 WeakPolarHBondContact CB-O 3.4Å; F318-T322 HydrophobicContact CB-CG2 4.06Å; F318-T322 HydrophobicContact CG-CG2 4.27Å; F318-I327 HydrophobicContact CB-CD1 4.35Å; F318-I327 HydrophobicContact CD2-CB 4.43Å; F318-I327 HydrophobicContact CD2-CD1 4.28Å; F318-I327 HydrophobicContact CD2-CG1 3.8Å; F318-I327 HydrophobicContact CD2-CG2 4.07Å; F318-I327 HydrophobicContact CE2-CG1 4.37Å; F318-I327 HydrophobicContact CE2-CG2 4.25Å; F318-I327 HydrophobicContact CG-CG1 4.36Å; F318-C330 HydrophobicContact CE2-CB 4.39Å; F318-C330 HydrophobicContact CZ-CB 4.25Å
319	R	87.7	Confident	75.5	Confident	86 Å²	86	75.9 Å²	75.9	33%	0.325	42%	0.416	S	S	.	.			trans	-63.7	152.9	175	59.4	-171.6	171.4	146.5	4	112.2	T152 L251 R321 T322	T152-R319 VanDerWaalsContact CB-CZ 3.46Å; T152-R319 VanDerWaalsContact CB-NH1 3.32Å; T152-R319 PolarHBondContact OG1-NH1 3.3Å; T152-R319 PolarHBondContact OG1-NH2 3.27Å; L251-R319 PolarHBondContact O-NE 3.4Å; R319-R321 VanDerWaalsContact C-N 3.26Å; R319-R321 PolarHBondContact O-N 3.36Å; R319-R321 VanDerWaalsContact O-N 3.07Å; R319-T322 WeakPolarHBondContact CG-OG1 3.34Å; R319-T322 WeakPolarHBondContact O-CB 3.37Å; R319-T322 PolarHBondContact O-N 3.11Å; R319-T322 PolarHBondContact O-OG1 3.03Å
320	P	85.3	Confident	78.3	Confident	105 Å²	105	74 Å²	74	68%	0.682	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.2	-172.7	-27.7	35.4	0	0	0	116.6	T322	P320-T322 VanDerWaalsContact C-N 3.32Å
321	R	88.6	Confident	81.2	Confident	225 Å²	225	65.2 Å²	65.2	85%	0.849	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	15	-179.8	-65.6	-169.2	-68.2	-100.6	2.1	113.7	R319	R319-R321 VanDerWaalsContact C-N 3.26Å; R319-R321 PolarHBondContact O-N 3.36Å; R319-R321 VanDerWaalsContact O-N 3.07Å
322	T	94.9	Very high	83.5	Confident	10 Å²	10	64.6 Å²	64.6	6%	0.061	35%	0.354	C	S	.	.	S	Bend	trans	-74.6	129.4	176.2	-53.5	0	0	0	0	108.9	L251 F318 R319 P320 A326 I327	L251-T322 HydrophobicContact CB-CG2 4.49Å; L251-T322 HydrophobicContact CD1-CG2 4.13Å; L251-T322 HydrophobicContact CD2-CG2 4.21Å; F318-T322 HydrophobicContact CB-CG2 4.06Å; F318-T322 HydrophobicContact CG-CG2 4.27Å; R319-T322 WeakPolarHBondContact CG-OG1 3.34Å; R319-T322 WeakPolarHBondContact O-CB 3.37Å; R319-T322 PolarHBondContact O-N 3.11Å; R319-T322 PolarHBondContact O-OG1 3.03Å; P320-T322 VanDerWaalsContact C-N 3.32Å; T322-A326 HydrophobicContact CG2-CB 4.46Å; T322-I327 HydrophobicContact CG2-CD1 4.09Å; T322-I327 HydrophobicContact CG2-CG1 3.72Å
323	P	96.3	Very high	86.3	Confident	28 Å²	28	58.8 Å²	58.8	18%	0.182	32%	0.319	C	S	.	.			trans	-57	132.7	178.9	-23.6	32.3	0	0	0	111.4	V155 E325 A326 I327	V155-P323 HydrophobicContact CG1-CG 3.89Å; V155-P323 HydrophobicContact CG2-CG 3.92Å; P323-E325 PolarHBondContact O-N 3.21Å; P323-A326 HydrophobicContact CB-CB 4.19Å; P323-A326 VanDerWaalsContact O-CB 3.29Å; P323-A326 WeakPolarHBondContact O-CB 3.2Å; P323-A326 PolarHBondContact O-N 2.91Å; P323-I327 PolarHBondContact O-N 3.32Å
324	P	96.2	Very high	89.2	Confident	84 Å²	84	52.7 Å²	52.7	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-33.4	-177.3	23.2	-31.7	0	0	0	112.5	A326 I327 A328	P324-A326 VanDerWaalsContact C-N 3.28Å; P324-A326 PolarHBondContact O-N 3.17Å; P324-I327 PolarHBondContact O-N 2.89Å; P324-A328 WeakPolarHBondContact O-CB 3.39Å; P324-A328 PolarHBondContact O-N 3.44Å
325	E	98	Very high	91.7	Very high	84 Å²	84	52.4 Å²	52.4	39%	0.393	26%	0.26	S	S	.	.	H	α-helix	trans	-66.5	-31.2	176.7	-54.8	76.2	-168	0	0	111.8	P323 L329 H350 F352	P323-E325 PolarHBondContact O-N 3.21Å; E325-L329 WeakPolarHBondContact O-CB 3.32Å; E325-L329 PolarHBondContact O-N 3.42Å; E325-H350 PolarHBondContact O-CE1 2.95Å; E325-H350 VanDerWaalsContact O-CE1 3.27Å; E325-F352 HydrophobicContact CB-CB 3.97Å; E325-F352 HydrophobicContact CB-CD2 4.21Å
326	A	98.1	Very high	93.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.9	-39.6	175.3	0	0	0	0	0	111	L251 T322 P323 P324 C330 F352	L251-A326 HydrophobicContact CD1-CB 3.85Å; L251-A326 HydrophobicContact CD2-CB 4.16Å; T322-A326 HydrophobicContact CG2-CB 4.46Å; P323-A326 HydrophobicContact CB-CB 4.19Å; P323-A326 VanDerWaalsContact O-CB 3.29Å; P323-A326 WeakPolarHBondContact O-CB 3.2Å; P323-A326 PolarHBondContact O-N 2.91Å; P324-A326 VanDerWaalsContact C-N 3.28Å; P324-A326 PolarHBondContact O-N 3.17Å; A326-C330 WeakPolarHBondContact O-CB 3.3Å; A326-C330 PolarHBondContact O-N 2.98Å; A326-F352 HydrophobicContact CB-CD2 3.7Å; A326-F352 HydrophobicContact CB-CE2 3.43Å; A326-F352 VanDerWaalsContact CB-CE2 3.43Å; A326-F352 HydrophobicContact CB-CG 4.44Å; A326-F352 HydrophobicContact CB-CZ 3.96Å
327	I	96.7	Very high	95.2	Very high	14 Å²	14	45.1 Å²	45.1	7%	0.072	23%	0.227	C	C	.	.	H	α-helix	trans	-67.8	-45.6	177	-57.5	175.7	0	0	0	110.1	W301 T302 F318 T322 P323 P324 L329 C330 S331	W301-I327 HydrophobicContact CB-CG2 3.59Å; W301-I327 HydrophobicContact CG-CG2 4.49Å; T302-I327 HydrophobicContact CG2-CB 4.36Å; T302-I327 HydrophobicContact CG2-CD1 3.78Å; T302-I327 HydrophobicContact CG2-CG2 3.81Å; F318-I327 HydrophobicContact CB-CD1 4.35Å; F318-I327 HydrophobicContact CD2-CB 4.43Å; F318-I327 HydrophobicContact CD2-CD1 4.28Å; F318-I327 HydrophobicContact CD2-CG1 3.8Å; F318-I327 HydrophobicContact CD2-CG2 4.07Å; F318-I327 HydrophobicContact CE2-CG1 4.37Å; F318-I327 HydrophobicContact CE2-CG2 4.25Å; F318-I327 HydrophobicContact CG-CG1 4.36Å; T322-I327 HydrophobicContact CG2-CD1 4.09Å; T322-I327 HydrophobicContact CG2-CG1 3.72Å; P323-I327 PolarHBondContact O-N 3.32Å; P324-I327 PolarHBondContact O-N 2.89Å; I327-L329 VanDerWaalsContact C-N 3.35Å; I327-L329 PolarHBondContact O-N 3.11Å; I327-C330 WeakPolarHBondContact O-CB 3.32Å; I327-C330 PolarHBondContact O-N 2.91Å; I327-C330 VanDerWaalsContact O-N 3.17Å; I327-S331 PolarHBondContact O-N 3.18Å
328	A	97.3	Very high	95.9	Very high	42 Å²	42	44.6 Å²	44.6	35%	0.347	22%	0.223	S	C	.	.	H	α-helix	trans	-60.8	-41.8	176.3	0	0	0	0	0	112.1	P324 S331 R332	P324-A328 WeakPolarHBondContact O-CB 3.39Å; P324-A328 PolarHBondContact O-N 3.44Å; A328-S331 PolarHBondContact O-OG 3.44Å; A328-R332 VanDerWaalsContact O-CG 3.26Å; A328-R332 WeakPolarHBondContact O-CG 3.2Å; A328-R332 PolarHBondContact O-N 3Å
329	L	98.6	Very high	96.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-48.6	172.7	178.6	56.7	0	0	0	110.5	F166 L247 E325 I327 S331 R332 L333 L342 A347 H350 F352 F353	F166-L329 HydrophobicContact CE2-CD2 4.36Å; L247-L329 HydrophobicContact CD2-CB 4.19Å; L247-L329 HydrophobicContact CD2-CD2 3.82Å; L247-L329 HydrophobicContact CD2-CG 3.79Å; E325-L329 WeakPolarHBondContact O-CB 3.32Å; E325-L329 PolarHBondContact O-N 3.42Å; I327-L329 VanDerWaalsContact C-N 3.35Å; I327-L329 PolarHBondContact O-N 3.11Å; L329-S331 PolarHBondContact O-N 3.26Å; L329-R332 PolarHBondContact O-N 3.45Å; L329-R332 VanDerWaalsContact O-N 3.13Å; L329-L333 HydrophobicContact CD1-CD1 3.98Å; L329-L333 HydrophobicContact CD1-CD2 4.48Å; L329-L333 HydrophobicContact CD1-CG 4.18Å; L329-L333 HydrophobicContact CG-CD1 3.85Å; L329-L333 HydrophobicContact CG-CG 4.49Å; L329-L333 VanDerWaalsContact O-CG 3.27Å; L329-L333 WeakPolarHBondContact O-CG 3.48Å; L329-L333 PolarHBondContact O-N 2.96Å; L329-L342 HydrophobicContact CD1-CD1 3.89Å; L329-A347 HydrophobicContact CD1-CB 4.38Å; L329-H350 HydrophobicContact CD1-CB 3.97Å; L329-F352 HydrophobicContact CB-CB 4.43Å; L329-F352 HydrophobicContact CD2-CB 4.13Å; L329-F352 HydrophobicContact CD2-CD1 3.63Å; L329-F352 HydrophobicContact CD2-CE1 4.49Å; L329-F352 HydrophobicContact CD2-CG 4.22Å; L329-F353 HydrophobicContact CD2-CE2 3.65Å; L329-F353 HydrophobicContact CD2-CZ 3.7Å
330	C	98.4	Very high	96.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-43.3	-178.1	-164.9	0	0	0	0	112.4	L247 F318 A326 I327 R332 L333 L334	L247-C330 HydrophobicContact CD2-CB 3.95Å; F318-C330 HydrophobicContact CE2-CB 4.39Å; F318-C330 HydrophobicContact CZ-CB 4.25Å; A326-C330 WeakPolarHBondContact O-CB 3.3Å; A326-C330 PolarHBondContact O-N 2.98Å; I327-C330 WeakPolarHBondContact O-CB 3.32Å; I327-C330 PolarHBondContact O-N 2.91Å; I327-C330 VanDerWaalsContact O-N 3.17Å; C330-R332 PolarHBondContact O-N 3.42Å; C330-L333 PolarHBondContact O-N 2.8Å; C330-L333 VanDerWaalsContact O-N 3.12Å; C330-L334 PolarHBondContact O-N 3.43Å
331	S	97.3	Very high	97.5	Very high	29 Å²	29	43.2 Å²	43.2	20%	0.203	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-29.5	178.1	67.6	0	0	0	0	112.9	I327 A328 L329 L333	I327-S331 PolarHBondContact O-N 3.18Å; A328-S331 PolarHBondContact O-OG 3.44Å; L329-S331 PolarHBondContact O-N 3.26Å; S331-L333 VanDerWaalsContact C-N 3.34Å
332	R	98.5	Very high	98	Very high	115 Å²	115	33.2 Å²	33.2	43%	0.434	19%	0.19	S	C	.	.	H	α-helix	trans	-83.5	-7.1	177.3	-64.1	-62.8	-56.9	-78.3	-1	114	A328 L329 C330 R341 L342	A328-R332 VanDerWaalsContact O-CG 3.26Å; A328-R332 WeakPolarHBondContact O-CG 3.2Å; A328-R332 PolarHBondContact O-N 3Å; L329-R332 PolarHBondContact O-N 3.45Å; L329-R332 VanDerWaalsContact O-N 3.13Å; C330-R332 PolarHBondContact O-N 3.42Å; R332-R341 WeakPolarHBondContact O-CA 3.35Å; R332-L342 HydrophobicContact CB-CD1 3.71Å; R332-L342 HydrophobicContact CB-CG 3.86Å; R332-L342 PolarHBondContact O-N 3.01Å; R332-L342 VanDerWaalsContact O-N 3.11Å
333	L	98.7	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-101.8	-40.2	175.2	-62.3	166.9	0	0	0	111.4	F166 V240 L247 L329 C330 S331 E335 R341 L342 A347	F166-L333 HydrophobicContact CE1-CD1 4.39Å; F166-L333 HydrophobicContact CE1-CD2 3.93Å; F166-L333 HydrophobicContact CE2-CD1 4.4Å; F166-L333 HydrophobicContact CZ-CD1 3.59Å; F166-L333 HydrophobicContact CZ-CD2 3.87Å; F166-L333 HydrophobicContact CZ-CG 4.41Å; V240-L333 HydrophobicContact CG1-CB 4.49Å; V240-L333 HydrophobicContact CG1-CD2 3.42Å; V240-L333 VanDerWaalsContact CG1-CD2 3.42Å; L247-L333 HydrophobicContact CD2-CD1 3.97Å; L329-L333 HydrophobicContact CD1-CD1 3.98Å; L329-L333 HydrophobicContact CD1-CD2 4.48Å; L329-L333 HydrophobicContact CD1-CG 4.18Å; L329-L333 HydrophobicContact CG-CD1 3.85Å; L329-L333 HydrophobicContact CG-CG 4.49Å; L329-L333 VanDerWaalsContact O-CG 3.27Å; L329-L333 WeakPolarHBondContact O-CG 3.48Å; L329-L333 PolarHBondContact O-N 2.96Å; C330-L333 PolarHBondContact O-N 2.8Å; C330-L333 VanDerWaalsContact O-N 3.12Å; S331-L333 VanDerWaalsContact C-N 3.34Å; L333-E335 VanDerWaalsContact C-N 3.29Å; L333-E335 PolarHBondContact O-N 2.96Å; L333-R341 WeakPolarHBondContact O-CD 3.2Å; L333-R341 WeakPolarHBondContact O-CG 3.34Å; L333-L342 HydrophobicContact CD2-CB 4.34Å; L333-A347 HydrophobicContact CD2-CB 4.38Å
334	L	98.8	Very high	98.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.198	C	C	.	.	S	Bend	trans	-91.4	58.4	-178	-63.7	-179.1	0	0	0	111.5	W241 A248 I256 F257 L273 W301 C330	W241-L334 HydrophobicContact CD2-CD2 3.75Å; W241-L334 HydrophobicContact CE3-CB 4.49Å; W241-L334 HydrophobicContact CE3-CD2 3.9Å; W241-L334 HydrophobicContact CG-CD2 4.24Å; W241-L334 HydrophobicContact CH2-CD2 4.33Å; W241-L334 HydrophobicContact CZ2-CD2 4.18Å; W241-L334 HydrophobicContact CZ3-CB 4.2Å; W241-L334 HydrophobicContact CZ3-CD2 4.2Å; W241-L334 WeakPolarHBondContact O-CD2 3.43Å; A248-L334 HydrophobicContact CB-CD1 4.49Å; I256-L334 HydrophobicContact CD1-CD1 4.27Å; F257-L334 HydrophobicContact CE2-CD1 3.99Å; F257-L334 HydrophobicContact CE2-CD2 4.2Å; F257-L334 HydrophobicContact CZ-CD1 4.1Å; L273-L334 WeakPolarHBondContact CD1-O 3.29Å; L273-L334 WeakPolarHBondContact CD2-O 3.39Å; W301-L334 HydrophobicContact CH2-CB 4.04Å; W301-L334 HydrophobicContact CH2-CD1 3.79Å; W301-L334 HydrophobicContact CZ2-CB 4.19Å; W301-L334 HydrophobicContact CZ3-CD1 4.5Å; C330-L334 PolarHBondContact O-N 3.43Å
335	E	98.8	Very high	98.4	Very high	59 Å²	59	30.6 Å²	30.6	28%	0.276	17%	0.172	S	C	.	.			trans	-100.3	141.3	175.7	-69.1	-78.5	-170.5	0	0	110.8	W241 L333 A340 R341	W241-E335 WeakPolarHBondContact CZ3-O 3.38Å; L333-E335 VanDerWaalsContact C-N 3.29Å; L333-E335 PolarHBondContact O-N 2.96Å; E335-A340 HydrophobicContact CB-CB 4.29Å; E335-A340 HydrophobicContact CG-CB 4.38Å; E335-R341 HydrophobicContact CB-CG 3.89Å; E335-R341 PolarHBondContact O-NE 2.97Å; E335-R341 PolarHBondContact O-NH2 3.27Å; E335-R341 VanDerWaalsContact O-NH2 3.1Å
336	Y	98.6	Very high	98.5	Very high	4 Å²	4	30 Å²	30	2%	0.016	17%	0.169	C	C	.	.	S	Bend	trans	-62.9	-51.3	173.8	-80.9	-58.3	0	0	0	111.6	P225 I269 I270 L273 G274 P276 M284 P338 R341	P225-Y336 HydrophobicContact CB-CD1 4.13Å; P225-Y336 HydrophobicContact CB-CE1 4.23Å; P225-Y336 HydrophobicContact CG-CD1 3.93Å; P225-Y336 HydrophobicContact CG-CE1 4.41Å; I269-Y336 HydrophobicContact CG2-CE1 3.75Å; I270-Y336 WeakPolarHBondContact CG1-OH 3.35Å; L273-Y336 HydrophobicContact CB-CD2 4.28Å; L273-Y336 HydrophobicContact CB-CE2 3.51Å; L273-Y336 HydrophobicContact CD1-CD1 4.47Å; L273-Y336 HydrophobicContact CD1-CD2 4.23Å; L273-Y336 HydrophobicContact CD1-CE1 4.26Å; L273-Y336 HydrophobicContact CD1-CE2 4.01Å; L273-Y336 HydrophobicContact CD1-CG 4.45Å; L273-Y336 HydrophobicContact CG-CE2 4.42Å; G274-Y336 WeakPolarHBondContact O-CE2 3.49Å; G274-Y336 PolarHBondContact O-OH 3.28Å; P276-Y336 HydrophobicContact CB-CD1 4.17Å; P276-Y336 HydrophobicContact CB-CD2 3.84Å; P276-Y336 HydrophobicContact CB-CE1 4.13Å; P276-Y336 HydrophobicContact CB-CE2 3.79Å; P276-Y336 HydrophobicContact CB-CG 4.03Å; P276-Y336 HydrophobicContact CG-CE1 4.32Å; P276-Y336 HydrophobicContact CG-CE2 4.43Å; M284-Y336 HydrophobicContact CE-CD1 3.77Å; M284-Y336 HydrophobicContact CE-CE1 4.44Å; M284-Y336 HydrophobicContact CE-CG 4.26Å; M284-Y336 VanDerWaalsContact CG-O 3.27Å; M284-Y336 WeakPolarHBondContact CG-O 3.47Å; M284-Y336 HydrophobicContact SD-CD1 3.62Å; M284-Y336 HydrophobicContact SD-CE1 4.5Å; M284-Y336 HydrophobicContact SD-CG 4.33Å; Y336-P338 WeakPolarHBondContact O-CD 3.23Å; Y336-R341 PolarHBondContact O-NH2 2.91Å
337	T	98.7	Very high	98.5	Very high	28 Å²	28	30 Å²	30	17%	0.172	17%	0.169	C	C	.	.	S	Bend	trans	-66.2	113.1	179.2	-62.7	0	0	0	0	109.7	Q280 E283 T339 A340	Q280-T337 WeakPolarHBondContact CG-OG1 3.3Å; E283-T337 HydrophobicContact CB-CG2 4.03Å; E283-T337 HydrophobicContact CG-CG2 3.93Å; T337-T339 WeakPolarHBondContact CG2-OG1 3.35Å; T337-T339 PolarHBondContact O-N 3.31Å; T337-T339 VanDerWaalsContact O-N 3.12Å; T337-A340 HydrophobicContact CG2-CB 4.04Å; T337-A340 WeakPolarHBondContact O-CB 3.41Å; T337-A340 PolarHBondContact O-N 2.96Å
338	P	98.8	Very high	98.6	Very high	16 Å²	16	29.3 Å²	29.3	10%	0.104	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.6	-171.6	-25.9	36	0	0	0	114.2	E226 S237 Y336	E226-P338 HydrophobicContact CG-CG 4.42Å; S237-P338 WeakPolarHBondContact CB-O 3.44Å; S237-P338 WeakPolarHBondContact OG-CB 3.22Å; S237-P338 PolarHBondContact OG-O 3.03Å; Y336-P338 WeakPolarHBondContact O-CD 3.23Å
339	T	98.6	Very high	98.7	Very high	114 Å²	114	28.1 Å²	28.1	70%	0.699	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-12.3	179	51.9	0	0	0	0	113.8	T337	T337-T339 WeakPolarHBondContact CG2-OG1 3.35Å; T337-T339 PolarHBondContact O-N 3.31Å; T337-T339 VanDerWaalsContact O-N 3.12Å
340	A	98.7	Very high	98.7	Very high	42 Å²	42	29.6 Å²	29.6	35%	0.347	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-16.4	176.4	0	0	0	0	0	112.8	E335 T337	E335-A340 HydrophobicContact CB-CB 4.29Å; E335-A340 HydrophobicContact CG-CB 4.38Å; T337-A340 HydrophobicContact CG2-CB 4.04Å; T337-A340 WeakPolarHBondContact O-CB 3.41Å; T337-A340 PolarHBondContact O-N 2.96Å
341	R	98.8	Very high	98.7	Very high	12 Å²	12	32.3 Å²	32.3	5%	0.045	18%	0.182	C	C	.	.	S	Bend	trans	-67.1	141.6	176.4	-57.9	178.7	-167.9	145.1	9.1	110	E226 S237 V240 R332 L333 E335 Y336	E226-R341 IonicContact OE1-CZ 2.93Å; E226-R341 IonicContact OE1-NH1 2.63Å; E226-R341 PolarHBondContact OE1-NH1 3.12Å; E226-R341 IonicContact OE1-NH2 3.89Å; E226-R341 PolarHBondContact OE1-NH2 3.46Å; E226-R341 IonicContact OE2-CZ 3.31Å; E226-R341 IonicContact OE2-NH1 2.79Å; E226-R341 IonicContact OE2-NH2 3.87Å; E226-R341 PolarHBondContact OE2-NH2 3.45Å; S237-R341 PolarHBondContact O-NH1 2.94Å; V240-R341 HydrophobicContact CG1-CB 4.03Å; R332-R341 WeakPolarHBondContact O-CA 3.35Å; L333-R341 WeakPolarHBondContact O-CD 3.2Å; L333-R341 WeakPolarHBondContact O-CG 3.34Å; E335-R341 HydrophobicContact CB-CG 3.89Å; E335-R341 PolarHBondContact O-NE 2.97Å; E335-R341 PolarHBondContact O-NH2 3.27Å; E335-R341 VanDerWaalsContact O-NH2 3.1Å; Y336-R341 PolarHBondContact O-NH2 2.91Å
342	L	98.9	Very high	98.8	Very high	16 Å²	16	31 Å²	31	8%	0.084	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-56.3	141.7	170.8	-64.7	172.9	0	0	0	110.8	V240 L329 R332 L333 E346 A347	V240-L342 WeakPolarHBondContact CG1-O 3.23Å; L329-L342 HydrophobicContact CD1-CD1 3.89Å; R332-L342 HydrophobicContact CB-CD1 3.71Å; R332-L342 HydrophobicContact CB-CG 3.86Å; R332-L342 PolarHBondContact O-N 3.01Å; R332-L342 VanDerWaalsContact O-N 3.11Å; L333-L342 HydrophobicContact CD2-CB 4.34Å; L342-E346 HydrophobicContact CB-CB 4.3Å; L342-E346 HydrophobicContact CD2-CB 4.12Å; L342-A347 HydrophobicContact CB-CB 4.46Å
343	T	98.9	Very high	98.8	Very high	58 Å²	58	25.5 Å²	25.5	36%	0.356	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-66.5	158.4	162.9	64.7	0	0	0	0	110.1	L345 E346 A347	T343-L345 PolarHBondContact O-N 3.16Å; T343-E346 WeakPolarHBondContact CB-OE2 3.46Å; T343-E346 WeakPolarHBondContact CG2-OE2 3.32Å; T343-E346 PolarHBondContact N-OE2 3.13Å; T343-E346 PolarHBondContact O-N 3.13Å; T343-E346 WeakPolarHBondContact OG1-CB 3.36Å; T343-E346 WeakPolarHBondContact OG1-CG 3.49Å; T343-E346 PolarHBondContact OG1-N 3.19Å; T343-E346 PolarHBondContact OG1-OE2 2.56Å; T343-A347 PolarHBondContact O-N 3.04Å
344	P	98.9	Very high	98.8	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.058	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-33.7	178.2	-23.9	32.7	0	0	0	113.8	F166 L169 A170 H173 V240 A347 C348	F166-P344 HydrophobicContact CB-CB 4.46Å; F166-P344 HydrophobicContact CD1-CB 4.38Å; F166-P344 VanDerWaalsContact O-CB 3.29Å; F166-P344 WeakPolarHBondContact O-CB 3.43Å; L169-P344 HydrophobicContact CB-CB 3.79Å; L169-P344 HydrophobicContact CB-CG 3.74Å; A170-P344 HydrophobicContact CB-CB 3.99Å; H173-P344 WeakPolarHBondContact ND1-CG 3.23Å; V240-P344 HydrophobicContact CG2-CG 4.09Å; P344-A347 WeakPolarHBondContact O-CB 3.39Å; P344-A347 PolarHBondContact O-N 3.49Å; P344-C348 PolarHBondContact O-N 3.43Å; P344-C348 PolarHBondContact O-SG 3.21Å
345	L	98.8	Very high	98.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-72.4	-39.5	179.4	-162.5	64.3	0	0	0	111.7	A170 T343 A347 C348 A349 F375 L380 S382 N383 L386 L390	A170-L345 HydrophobicContact CB-CB 4.42Å; A170-L345 HydrophobicContact CB-CD1 4.33Å; T343-L345 PolarHBondContact O-N 3.16Å; L345-A347 VanDerWaalsContact C-N 3.33Å; L345-C348 WeakPolarHBondContact O-CB 3.29Å; L345-C348 PolarHBondContact O-N 3.49Å; L345-A349 PolarHBondContact O-N 3.21Å; L345-F375 HydrophobicContact CD1-CD1 4.47Å; L345-F375 HydrophobicContact CD1-CE1 4.04Å; L345-L380 HydrophobicContact CD1-CD2 4.29Å; L345-L380 HydrophobicContact CD2-CD2 4.26Å; L345-S382 WeakPolarHBondContact CD2-OG 3.47Å; L345-N383 HydrophobicContact CD2-CB 4.32Å; L345-L386 HydrophobicContact CB-CD1 4.27Å; L345-L386 HydrophobicContact CD2-CD1 4.21Å; L345-L386 HydrophobicContact CG-CD1 3.95Å; L345-L390 HydrophobicContact CD1-CD1 3.41Å; L345-L390 VanDerWaalsContact CD1-CD1 3.41Å; L345-L390 HydrophobicContact CD2-CD1 4.39Å; L345-L390 HydrophobicContact CG-CD1 3.76Å
346	E	98.9	Very high	98.8	Very high	71 Å²	71	30.7 Å²	30.7	33%	0.332	18%	0.178	S	C	.	.	H	α-helix	trans	-64.4	-37.8	170.7	-69.8	164.3	150.5	0	0	111.7	L342 T343 A349 H350 L386	L342-E346 HydrophobicContact CB-CB 4.3Å; L342-E346 HydrophobicContact CD2-CB 4.12Å; T343-E346 WeakPolarHBondContact CB-OE2 3.46Å; T343-E346 WeakPolarHBondContact CG2-OE2 3.32Å; T343-E346 PolarHBondContact N-OE2 3.13Å; T343-E346 PolarHBondContact O-N 3.13Å; T343-E346 WeakPolarHBondContact OG1-CB 3.36Å; T343-E346 WeakPolarHBondContact OG1-CG 3.49Å; T343-E346 PolarHBondContact OG1-N 3.19Å; T343-E346 PolarHBondContact OG1-OE2 2.56Å; E346-A349 CarbonylContact O-C 3.58Å; E346-A349 PolarHBondContact O-N 3.02Å; E346-A349 VanDerWaalsContact O-N 3.13Å; E346-H350 PolarHBondContact O-N 3.47Å; E346-L386 HydrophobicContact CG-CD1 3.9Å
347	A	98.9	Very high	98.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-44.1	173.9	0	0	0	0	0	111.1	F166 L329 L333 L342 T343 P344 L345 A349 H350 F353	F166-A347 HydrophobicContact CB-CB 4.38Å; F166-A347 HydrophobicContact CD1-CB 3.74Å; F166-A347 HydrophobicContact CD2-CB 3.77Å; F166-A347 HydrophobicContact CE1-CB 3.9Å; F166-A347 HydrophobicContact CE2-CB 3.94Å; F166-A347 HydrophobicContact CG-CB 3.7Å; F166-A347 HydrophobicContact CZ-CB 4.03Å; L329-A347 HydrophobicContact CD1-CB 4.38Å; L333-A347 HydrophobicContact CD2-CB 4.38Å; L342-A347 HydrophobicContact CB-CB 4.46Å; T343-A347 PolarHBondContact O-N 3.04Å; P344-A347 WeakPolarHBondContact O-CB 3.39Å; P344-A347 PolarHBondContact O-N 3.49Å; L345-A347 VanDerWaalsContact C-N 3.33Å; A347-A349 PolarHBondContact O-N 3.31Å; A347-H350 WeakPolarHBondContact O-CB 3.23Å; A347-H350 PolarHBondContact O-N 3.33Å; A347-F353 WeakPolarHBondContact O-CD2 3.34Å; A347-F353 WeakPolarHBondContact O-CE2 3.4Å
348	C	98.9	Very high	98.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-34	174.1	-66.8	0	0	0	0	112.9	Y163 F166 P344 L345 H350 R357 L390	Y163-C348 HydrophobicContact CD2-CB 4.18Å; Y163-C348 HydrophobicContact CE2-CB 3.8Å; Y163-C348 WeakPolarHBondContact CE2-O 3.49Å; F166-C348 WeakPolarHBondContact CB-SG 3.27Å; P344-C348 PolarHBondContact O-N 3.43Å; P344-C348 PolarHBondContact O-SG 3.21Å; L345-C348 WeakPolarHBondContact O-CB 3.29Å; L345-C348 PolarHBondContact O-N 3.49Å; C348-H350 VanDerWaalsContact C-N 3.29Å; C348-H350 PolarHBondContact O-N 3.29Å; C348-R357 PolarHBondContact O-NH1 3.15Å; C348-L390 HydrophobicContact CB-CD2 3.47Å; C348-L390 VanDerWaalsContact CB-CD2 3.47Å
349	A	98.8	Very high	98.7	Very high	17 Å²	17	37 Å²	37	14%	0.14	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.7	178.3	0	0	0	0	0	113.8	L345 E346 A347 L386 I389 L390	L345-A349 PolarHBondContact O-N 3.21Å; E346-A349 CarbonylContact O-C 3.58Å; E346-A349 PolarHBondContact O-N 3.02Å; E346-A349 VanDerWaalsContact O-N 3.13Å; A347-A349 PolarHBondContact O-N 3.31Å; A349-L386 HydrophobicContact CB-CD2 4.13Å; A349-I389 HydrophobicContact CB-CB 4.42Å; A349-I389 HydrophobicContact CB-CG2 4.01Å; A349-L390 HydrophobicContact CB-CD2 3.98Å; A349-L390 HydrophobicContact CB-CG 4.41Å
350	H	98.9	Very high	98.7	Very high	31 Å²	31	37.6 Å²	37.6	14%	0.144	21%	0.212	C	C	.	.	S	Bend	trans	-65.1	147.2	-179.7	-167.3	-89.5	0	0	0	112.3	E325 L329 E346 A347 C348 F352 F353 R357	E325-H350 PolarHBondContact O-CE1 2.95Å; E325-H350 VanDerWaalsContact O-CE1 3.27Å; L329-H350 HydrophobicContact CD1-CB 3.97Å; E346-H350 PolarHBondContact O-N 3.47Å; A347-H350 WeakPolarHBondContact O-CB 3.23Å; A347-H350 PolarHBondContact O-N 3.33Å; C348-H350 VanDerWaalsContact C-N 3.29Å; C348-H350 PolarHBondContact O-N 3.29Å; H350-F352 WeakPolarHBondContact ND1-CB 3.5Å; H350-F352 PolarHBondContact ND1-N 2.87Å; H350-F352 VanDerWaalsContact ND1-N 3.18Å; H350-F352 PolarHBondContact O-N 3.07Å; H350-F352 VanDerWaalsContact O-N 3.17Å; H350-F353 HydrophobicContact CB-CD2 4.29Å; H350-F353 PolarHBondContact O-N 3.29Å; H350-R357 PolarHBondContact O-NH2 3.15Å
351	S	98.8	Very high	98.7	Very high	57 Å²	57	36.5 Å²	36.5	40%	0.399	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-62.8	-23.3	-176	57.7	0	0	0	0	114.4	F353 D354	S351-F353 PolarHBondContact O-N 3.37Å; S351-D354 VanDerWaalsContact CA-OD2 3.24Å; S351-D354 WeakPolarHBondContact CA-OD2 3.4Å; S351-D354 VanDerWaalsContact CB-OD2 3.3Å; S351-D354 WeakPolarHBondContact CB-OD2 3.46Å; S351-D354 WeakPolarHBondContact O-CB 3.47Å; S351-D354 VanDerWaalsContact O-CG 3.31Å; S351-D354 PolarHBondContact O-N 3.24Å
352	F	98.9	Very high	98.6	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-52	-29.3	170.6	-179.6	-120.7	0	0	0	112.4	V155 V158 K159 L247 E325 A326 L329 H350	V155-F352 HydrophobicContact CG1-CE2 4Å; V155-F352 HydrophobicContact CG1-CZ 4.26Å; V158-F352 HydrophobicContact CB-CZ 4.4Å; V158-F352 HydrophobicContact CG1-CE1 4.25Å; V158-F352 HydrophobicContact CG1-CZ 4.01Å; K159-F352 HydrophobicContact CB-CE1 4.42Å; K159-F352 HydrophobicContact CD-CE2 4.41Å; K159-F352 VanDerWaalsContact CD-O 3.25Å; K159-F352 WeakPolarHBondContact CD-O 3.37Å; K159-F352 WeakPolarHBondContact CE-O 3.41Å; K159-F352 HydrophobicContact CG-CD1 4.21Å; K159-F352 HydrophobicContact CG-CD2 4.34Å; K159-F352 HydrophobicContact CG-CE1 3.69Å; K159-F352 HydrophobicContact CG-CE2 3.81Å; K159-F352 HydrophobicContact CG-CZ 3.46Å; K159-F352 VanDerWaalsContact CG-CZ 3.46Å; K159-F352 PolarHBondContact NZ-O 3.42Å; L247-F352 HydrophobicContact CD1-CE1 4.22Å; E325-F352 HydrophobicContact CB-CB 3.97Å; E325-F352 HydrophobicContact CB-CD2 4.21Å; A326-F352 HydrophobicContact CB-CD2 3.7Å; A326-F352 HydrophobicContact CB-CE2 3.43Å; A326-F352 VanDerWaalsContact CB-CE2 3.43Å; A326-F352 HydrophobicContact CB-CG 4.44Å; A326-F352 HydrophobicContact CB-CZ 3.96Å; L329-F352 HydrophobicContact CB-CB 4.43Å; L329-F352 HydrophobicContact CD2-CB 4.13Å; L329-F352 HydrophobicContact CD2-CD1 3.63Å; L329-F352 HydrophobicContact CD2-CE1 4.49Å; L329-F352 HydrophobicContact CD2-CG 4.22Å; H350-F352 WeakPolarHBondContact ND1-CB 3.5Å; H350-F352 PolarHBondContact ND1-N 2.87Å; H350-F352 VanDerWaalsContact ND1-N 3.18Å; H350-F352 PolarHBondContact O-N 3.07Å; H350-F352 VanDerWaalsContact O-N 3.17Å
353	F	98.9	Very high	98.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-95.7	6.7	179.8	-56.1	-63.6	0	0	0	114.3	K159 M162 Y163 F166 L329 A347 H350 S351 E355 L356	K159-F353 HydrophobicContact CB-CD1 4.19Å; K159-F353 VanDerWaalsContact O-CE1 3.23Å; K159-F353 WeakPolarHBondContact O-CE1 3.12Å; M162-F353 HydrophobicContact CB-CE1 3.98Å; M162-F353 HydrophobicContact CB-CZ 3.91Å; Y163-F353 HydrophobicContact CD2-CB 3.91Å; Y163-F353 HydrophobicContact CD2-CD1 4.04Å; Y163-F353 HydrophobicContact CD2-CD2 4.11Å; Y163-F353 AromaticContact CD2-CG 3.75Å; Y163-F353 HydrophobicContact CD2-CG 3.75Å; Y163-F353 HydrophobicContact CE2-CB 4.44Å; Y163-F353 HydrophobicContact CG-CD1 4.38Å; F166-F353 HydrophobicContact CD2-CE2 4.07Å; F166-F353 AromaticContact CD2-CZ 3.9Å; F166-F353 HydrophobicContact CD2-CZ 3.9Å; F166-F353 HydrophobicContact CE2-CE2 4.29Å; F166-F353 AromaticContact CE2-CZ 4Å; F166-F353 HydrophobicContact CE2-CZ 4Å; L329-F353 HydrophobicContact CD2-CE2 3.65Å; L329-F353 HydrophobicContact CD2-CZ 3.7Å; A347-F353 WeakPolarHBondContact O-CD2 3.34Å; A347-F353 WeakPolarHBondContact O-CE2 3.4Å; H350-F353 HydrophobicContact CB-CD2 4.29Å; H350-F353 PolarHBondContact O-N 3.29Å; S351-F353 PolarHBondContact O-N 3.37Å; F353-E355 VanDerWaalsContact C-N 3.3Å; F353-E355 PolarHBondContact O-N 2.94Å; F353-L356 HydrophobicContact CB-CD1 4.32Å; F353-L356 HydrophobicContact CD1-CD1 3.94Å; F353-L356 WeakPolarHBondContact O-CB 3.45Å; F353-L356 PolarHBondContact O-N 3.14Å
354	D	98.8	Very high	98.5	Very high	83 Å²	83	41.5 Å²	41.5	44%	0.444	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-60.9	-37.1	-178.1	-74	-23.3	0	0	0	112.8	S351 L356 R357 D358	S351-D354 VanDerWaalsContact CA-OD2 3.24Å; S351-D354 WeakPolarHBondContact CA-OD2 3.4Å; S351-D354 VanDerWaalsContact CB-OD2 3.3Å; S351-D354 WeakPolarHBondContact CB-OD2 3.46Å; S351-D354 WeakPolarHBondContact O-CB 3.47Å; S351-D354 VanDerWaalsContact O-CG 3.31Å; S351-D354 PolarHBondContact O-N 3.24Å; D354-L356 PolarHBondContact O-N 3.45Å; D354-R357 CarbonylContact O-C 3.42Å; D354-R357 WeakPolarHBondContact O-CA 3.48Å; D354-R357 WeakPolarHBondContact O-CB 3.47Å; D354-R357 PolarHBondContact O-N 2.99Å; D354-R357 IonicContact OD1-CZ 3.83Å; D354-R357 IonicContact OD1-NE 3.53Å; D354-R357 PolarHBondContact OD1-NE 2.91Å; D354-R357 IonicContact OD1-NH2 3.93Å; D354-R357 PolarHBondContact OD1-NH2 3.23Å; D354-D358 PolarHBondContact O-N 2.78Å
355	E	98.8	Very high	98.4	Very high	86 Å²	86	44.6 Å²	44.6	40%	0.402	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-57.1	-33.4	174.2	-177.6	-177.6	-176	0	0	112.2	K159 F353 R357 D358 V361	K159-E355 HydrophobicContact CD-CB 4.15Å; K159-E355 WeakPolarHBondContact CD-OE2 3.34Å; K159-E355 VanDerWaalsContact CE-OE2 3.32Å; K159-E355 WeakPolarHBondContact CE-OE2 3.17Å; K159-E355 VanDerWaalsContact NZ-CB 3.33Å; K159-E355 IonicContact NZ-OE2 3.24Å; K159-E355 PolarHBondContact NZ-OE2 3.17Å; F353-E355 VanDerWaalsContact C-N 3.3Å; F353-E355 PolarHBondContact O-N 2.94Å; E355-R357 PolarHBondContact O-N 2.86Å; E355-D358 WeakPolarHBondContact O-CB 3.12Å; E355-D358 PolarHBondContact O-N 3.41Å; E355-V361 HydrophobicContact CG-CG2 4.35Å; E355-V361 WeakPolarHBondContact O-CB 3.49Å
356	L	98.8	Very high	98.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-68.6	-25.6	177.6	-58.2	-175	0	0	0	111.9	I156 K159 L160 Y163 F353 D354 D358 L372 F373	I156-L356 HydrophobicContact CD1-CD2 3.78Å; K159-L356 HydrophobicContact CB-CD1 4.09Å; K159-L356 HydrophobicContact CB-CD2 3.93Å; K159-L356 HydrophobicContact CB-CG 4.05Å; L160-L356 HydrophobicContact CD2-CD2 3.86Å; L160-L356 HydrophobicContact CG-CD2 3.91Å; Y163-L356 HydrophobicContact CD1-CD1 4.41Å; Y163-L356 HydrophobicContact CD2-CD1 4.19Å; Y163-L356 HydrophobicContact CG-CD1 3.84Å; F353-L356 HydrophobicContact CB-CD1 4.32Å; F353-L356 HydrophobicContact CD1-CD1 3.94Å; F353-L356 WeakPolarHBondContact O-CB 3.45Å; F353-L356 PolarHBondContact O-N 3.14Å; D354-L356 PolarHBondContact O-N 3.45Å; L356-D358 VanDerWaalsContact C-N 3.33Å; L356-L372 HydrophobicContact CB-CD1 3.89Å; L356-L372 HydrophobicContact CD1-CD1 4.26Å; L356-L372 HydrophobicContact CG-CD1 4.47Å; L356-F373 VanDerWaalsContact O-CZ 3.29Å; L356-F373 WeakPolarHBondContact O-CZ 3.41Å
357	R	98.6	Very high	98.3	Very high	24 Å²	24	50.3 Å²	50.3	9%	0.091	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-89.8	5	178.4	-67.5	176.3	-79.6	-90.4	8	112.6	C348 H350 D354 E355 F373 I389 P392 H394	C348-R357 PolarHBondContact O-NH1 3.15Å; H350-R357 PolarHBondContact O-NH2 3.15Å; D354-R357 CarbonylContact O-C 3.42Å; D354-R357 WeakPolarHBondContact O-CA 3.48Å; D354-R357 WeakPolarHBondContact O-CB 3.47Å; D354-R357 PolarHBondContact O-N 2.99Å; D354-R357 IonicContact OD1-CZ 3.83Å; D354-R357 IonicContact OD1-NE 3.53Å; D354-R357 PolarHBondContact OD1-NE 2.91Å; D354-R357 IonicContact OD1-NH2 3.93Å; D354-R357 PolarHBondContact OD1-NH2 3.23Å; E355-R357 PolarHBondContact O-N 2.86Å; R357-F373 HydrophobicContact CG-CE1 3.77Å; R357-F373 HydrophobicContact CG-CZ 4.08Å; R357-I389 VanDerWaalsContact CD-O 3.24Å; R357-I389 WeakPolarHBondContact CD-O 3.1Å; R357-P392 HydrophobicContact CB-CB 4.33Å; R357-P392 HydrophobicContact CB-CG 4.39Å; R357-P392 HydrophobicContact CG-CG 4.43Å; R357-H394 PolarHBondContact O-CE1 3.06Å; R357-H394 VanDerWaalsContact O-CE1 3.23Å
358	D	98.3	Very high	98.2	Very high	72 Å²	72	55.5 Å²	55.5	39%	0.385	31%	0.307	S	S	.	.	S	Bend	trans	-75.5	127.8	169.6	-169.5	-46.6	0	0	0	109.3	D354 E355 L356 N360 V361	D354-D358 PolarHBondContact O-N 2.78Å; E355-D358 WeakPolarHBondContact O-CB 3.12Å; E355-D358 PolarHBondContact O-N 3.41Å; L356-D358 VanDerWaalsContact C-N 3.33Å; D358-N360 PolarHBondContact O-N 3.16Å; D358-N360 VanDerWaalsContact O-N 3.09Å; D358-N360 WeakPolarHBondContact OD1-CB 3.34Å; D358-N360 PolarHBondContact OD1-N 3.18Å; D358-N360 PolarHBondContact OD1-ND2 3.01Å; D358-N360 VanDerWaalsContact OD1-ND2 3.1Å; D358-V361 HydrophobicContact CB-CB 4.45Å; D358-V361 WeakPolarHBondContact O-CG1 3.43Å; D358-V361 PolarHBondContact O-N 3.13Å
359	P	97.6	Very high	98.2	Very high	84 Å²	84	57 Å²	57	55%	0.545	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.5	178.3	25.2	-35	0	0	0	114.5	H394	P359-H394 HydrophobicContact CB-CB 4.31Å
360	N	97.8	Very high	98.2	Very high	126 Å²	126	57.1 Å²	57.1	67%	0.674	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	0.1	-178	-52.5	-65.5	0	0	0	113.2	D358 K362	D358-N360 PolarHBondContact O-N 3.16Å; D358-N360 VanDerWaalsContact O-N 3.09Å; D358-N360 WeakPolarHBondContact OD1-CB 3.34Å; D358-N360 PolarHBondContact OD1-N 3.18Å; D358-N360 PolarHBondContact OD1-ND2 3.01Å; D358-N360 VanDerWaalsContact OD1-ND2 3.1Å; N360-K362 PolarHBondContact O-N 3.17Å
361	V	98.1	Very high	98.1	Very high	19 Å²	19	58.4 Å²	58.4	12%	0.115	33%	0.331	C	S	.	.			trans	-61.7	135.3	179.4	72.6	0	0	0	0	110.4	I156 E355 D358 T369	I156-V361 HydrophobicContact CD1-CG2 3.99Å; E355-V361 HydrophobicContact CG-CG2 4.35Å; E355-V361 WeakPolarHBondContact O-CB 3.49Å; D358-V361 HydrophobicContact CB-CB 4.45Å; D358-V361 WeakPolarHBondContact O-CG1 3.43Å; D358-V361 PolarHBondContact O-N 3.13Å; V361-T369 HydrophobicContact CG1-CG2 3.82Å; V361-T369 HydrophobicContact CG2-CG2 4.33Å
362	K	98.2	Very high	98.1	Very high	102 Å²	102	55.9 Å²	55.9	44%	0.443	31%	0.313	S	S	.	.			trans	-135.3	156.1	176.2	-64.6	-68.5	-179.4	170.6	0	109.7	N360 D368	N360-K362 PolarHBondContact O-N 3.17Å; K362-D368 IonicContact NZ-OD1 2.66Å; K362-D368 PolarHBondContact NZ-OD1 2.73Å; K362-D368 IonicContact NZ-OD2 3.52Å
363	L	98.1	Very high	98.1	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	32%	0.32	C	S	.	.			trans	-65.6	150.8	168.6	-61.5	-174.2	0	0	0	109.8	L160 A194 N365 G366 R367 D368 T369	L160-L363 HydrophobicContact CD1-CD2 3.38Å; A194-L363 HydrophobicContact CB-CD1 3.97Å; A194-L363 HydrophobicContact CB-CD2 3.79Å; L363-N365 WeakPolarHBondContact CB-OD1 3.48Å; L363-N365 PolarHBondContact O-N 3.07Å; L363-G366 PolarHBondContact O-N 3.04Å; L363-R367 WeakPolarHBondContact CB-O 3.48Å; L363-R367 HydrophobicContact CD1-CB 4.21Å; L363-R367 PolarHBondContact N-O 2.8Å; L363-D368 WeakPolarHBondContact CD1-O 3.3Å; L363-T369 HydrophobicContact CD2-CG2 4.21Å
364	P	97.4	Very high	98.1	Very high	85 Å²	85	61.5 Å²	61.5	55%	0.552	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-21.1	175.5	-28.9	36.5	0	0	0	114.9	I156 Y157 G366	I156-P364 HydrophobicContact CG2-CG 3.75Å; Y157-P364 HydrophobicContact CE2-CG 3.96Å; P364-G366 VanDerWaalsContact C-N 3.27Å
365	N	95.8	Very high	98	Very high	74 Å²	74	58.6 Å²	58.6	40%	0.396	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	6.5	175	67.4	8.4	0	0	0	113.7	D192 L363 R367	D192-N365 PolarHBondContact O-ND2 3.14Å; D192-N365 VanDerWaalsContact O-ND2 3.09Å; L363-N365 WeakPolarHBondContact CB-OD1 3.48Å; L363-N365 PolarHBondContact O-N 3.07Å; N365-R367 VanDerWaalsContact C-N 3.32Å; N365-R367 PolarHBondContact O-N 2.74Å; N365-R367 VanDerWaalsContact OD1-CB 3.32Å; N365-R367 WeakPolarHBondContact OD1-CB 3.44Å; N365-R367 WeakPolarHBondContact OD1-CG 3.43Å; N365-R367 PolarHBondContact OD1-N 3.2Å
366	G	97.3	Very high	98	Very high	58 Å²	58	57.7 Å²	57.7	60%	0.598	33%	0.326	S	S	*	.	S	Bend	trans	84.2	-7.3	179.5	0	0	0	0	0	115.4	L363 P364	L363-G366 PolarHBondContact O-N 3.04Å; P364-G366 VanDerWaalsContact C-N 3.27Å
367	R	97.8	Very high	98	Very high	133 Å²	133	63.9 Å²	63.9	50%	0.502	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-76.7	161.3	178	-62.8	-176	179.2	-161.2	2.3	112	L363 N365	L363-R367 WeakPolarHBondContact CB-O 3.48Å; L363-R367 HydrophobicContact CD1-CB 4.21Å; L363-R367 PolarHBondContact N-O 2.8Å; N365-R367 VanDerWaalsContact C-N 3.32Å; N365-R367 PolarHBondContact O-N 2.74Å; N365-R367 VanDerWaalsContact OD1-CB 3.32Å; N365-R367 WeakPolarHBondContact OD1-CB 3.44Å; N365-R367 WeakPolarHBondContact OD1-CG 3.43Å; N365-R367 PolarHBondContact OD1-N 3.2Å
368	D	98.1	Very high	97.9	Very high	108 Å²	108	66.2 Å²	66.2	58%	0.578	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-61.6	150.9	167.7	-73.2	-62	0	0	0	112.2	K362 L363	K362-D368 IonicContact NZ-OD1 2.66Å; K362-D368 PolarHBondContact NZ-OD1 2.73Å; K362-D368 IonicContact NZ-OD2 3.52Å; L363-D368 WeakPolarHBondContact CD1-O 3.3Å
369	T	98.3	Very high	97.9	Very high	31 Å²	31	62.9 Å²	62.9	19%	0.19	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-64.5	152.9	168	53.1	0	0	0	0	110.8	L160 V361 L363	L160-T369 HydrophobicContact CD2-CG2 4.18Å; V361-T369 HydrophobicContact CG1-CG2 3.82Å; V361-T369 HydrophobicContact CG2-CG2 4.33Å; L363-T369 HydrophobicContact CD2-CG2 4.21Å
370	P	98.4	Very high	97.9	Very high	21 Å²	21	59.9 Å²	59.9	14%	0.136	34%	0.337	C	S	.	.			trans	-63.6	175.8	173.9	29	-35.8	0	0	0	111.7	L160 V195 L372	L160-P370 HydrophobicContact CD2-CG 4.47Å; V195-P370 HydrophobicContact CG2-CB 3.59Å; V195-P370 HydrophobicContact CG2-CG 4.38Å; P370-L372 HydrophobicContact CG-CD2 4.2Å; P370-L372 WeakPolarHBondContact O-CG 2.89Å; P370-L372 PolarHBondContact O-N 2.92Å
371	A	98.1	Very high	98	Very high	58 Å²	58	56.7 Å²	56.7	48%	0.479	33%	0.325	S	S	.	.			trans	-63.2	109.9	177.1	0	0	0	0	0	111.5	R167	R167-A371 PolarHBondContact NH1-O 2.89Å
372	L	98.7	Very high	97.9	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	35%	0.346	C	S	.	.			trans	-105	-27	-178.3	-60.8	-175.5	0	0	0	113.7	L160 Y163 Q164 R167 L356 P370 F375	L160-L372 HydrophobicContact CD2-CD1 4.23Å; L160-L372 HydrophobicContact CD2-CD2 4.36Å; Y163-L372 HydrophobicContact CD1-CD2 3.97Å; Y163-L372 HydrophobicContact CE1-CB 3.93Å; Y163-L372 HydrophobicContact CE1-CD2 4.17Å; Y163-L372 WeakPolarHBondContact CE1-O 3.32Å; Y163-L372 PolarHBondContact OH-O 3.16Å; Q164-L372 HydrophobicContact CG-CD2 4.17Å; R167-L372 VanDerWaalsContact NH1-C 3.29Å; R167-L372 PolarHBondContact NH1-O 3.17Å; L356-L372 HydrophobicContact CB-CD1 3.89Å; L356-L372 HydrophobicContact CD1-CD1 4.26Å; L356-L372 HydrophobicContact CG-CD1 4.47Å; P370-L372 HydrophobicContact CG-CD2 4.2Å; P370-L372 WeakPolarHBondContact O-CG 2.89Å; P370-L372 PolarHBondContact O-N 2.92Å; L372-F375 WeakPolarHBondContact O-CE2 3.43Å
373	F	98.5	Very high	97.9	Very high	33 Å²	33	57 Å²	57	15%	0.145	34%	0.337	C	S	.	.	S	Bend	trans	-116.9	6.4	-165.6	-45.7	-54.9	0	0	0	115	L356 R357 F375 L390 P392 H394 A395	L356-F373 VanDerWaalsContact O-CZ 3.29Å; L356-F373 WeakPolarHBondContact O-CZ 3.41Å; R357-F373 HydrophobicContact CG-CE1 3.77Å; R357-F373 HydrophobicContact CG-CZ 4.08Å; F373-F375 PolarHBondContact O-N 3.05Å; F373-L390 VanDerWaalsContact CD1-O 3.23Å; F373-L390 WeakPolarHBondContact CD1-O 3.31Å; F373-P392 HydrophobicContact CD1-CG 4.21Å; F373-P392 HydrophobicContact CD2-CG 3.93Å; F373-P392 HydrophobicContact CE1-CG 4.14Å; F373-P392 HydrophobicContact CE2-CG 3.84Å; F373-P392 HydrophobicContact CG-CG 4.11Å; F373-P392 HydrophobicContact CZ-CG 3.94Å; F373-H394 AromaticContact CE2-NE2 3.8Å; F373-A395 HydrophobicContact CB-CB 3.88Å; F373-A395 HydrophobicContact CD2-CB 3.75Å; F373-A395 HydrophobicContact CG-CB 4.1Å
374	N	97.9	Very high	97.9	Very high	85 Å²	85	60.7 Å²	60.7	46%	0.455	36%	0.361	S	S	.	.			trans	-78.3	54.2	176.5	62.2	-33.7	0	0	0	111.6	R167	R167-N374 PolarHBondContact NH1-OD1 2.97Å; R167-N374 PolarHBondContact NH2-O 3.39Å; R167-N374 PolarHBondContact NH2-OD1 3.31Å
375	F	98.4	Very high	97.9	Very high	23 Å²	23	60.9 Å²	60.9	10%	0.101	36%	0.362	C	S	.	.			trans	-70.2	133.5	178.4	-72.9	-87.8	0	0	0	111.2	Y163 R167 L345 L372 F373 E379 L380 L390 I391	Y163-F375 VanDerWaalsContact OH-CE2 3.28Å; Y163-F375 WeakPolarHBondContact OH-CE2 3.41Å; Y163-F375 VanDerWaalsContact OH-CZ 3.27Å; Y163-F375 WeakPolarHBondContact OH-CZ 3.26Å; R167-F375 HydrophobicContact CG-CE1 3.8Å; R167-F375 HydrophobicContact CG-CZ 3.85Å; L345-F375 HydrophobicContact CD1-CD1 4.47Å; L345-F375 HydrophobicContact CD1-CE1 4.04Å; L372-F375 WeakPolarHBondContact O-CE2 3.43Å; F373-F375 PolarHBondContact O-N 3.05Å; F375-E379 HydrophobicContact CD1-CB 4.07Å; F375-E379 WeakPolarHBondContact CD1-OE1 3.38Å; F375-L380 HydrophobicContact CB-CD1 3.95Å; F375-L380 HydrophobicContact CB-CD2 4.19Å; F375-L380 HydrophobicContact CB-CG 3.95Å; F375-L380 HydrophobicContact CD1-CD2 4.19Å; F375-L380 HydrophobicContact CG-CD2 4.24Å; F375-L380 HydrophobicContact CG-CG 4.5Å; F375-L390 HydrophobicContact CD2-CB 4.25Å; F375-L390 HydrophobicContact CE1-CD1 4.31Å; F375-L390 HydrophobicContact CE2-CB 3.8Å; F375-L390 HydrophobicContact CZ-CB 4.13Å; F375-L390 HydrophobicContact CZ-CD1 4.27Å; F375-L390 HydrophobicContact CZ-CD2 4.09Å; F375-L390 HydrophobicContact CZ-CG 4.4Å; F375-I391 HydrophobicContact CB-CD1 4.46Å; F375-I391 HydrophobicContact CD2-CG1 4.07Å
376	T	98.3	Very high	98	Very high	66 Å²	66	58.5 Å²	58.5	41%	0.405	35%	0.349	S	S	.	.			trans	-84.9	161.8	170	61.6	0	0	0	0	111.9	Q378 E379 L380	T376-Q378 PolarHBondContact O-N 3.4Å; T376-E379 PolarHBondContact N-OE2 3.37Å; T376-E379 PolarHBondContact O-N 3.13Å; T376-E379 VanDerWaalsContact O-N 3.17Å; T376-E379 WeakPolarHBondContact OG1-CG 2.83Å; T376-E379 PolarHBondContact OG1-N 3.42Å; T376-E379 PolarHBondContact OG1-OE2 2.92Å; T376-E379 VanDerWaalsContact OG1-OE2 3.11Å; T376-L380 PolarHBondContact O-N 3.43Å; T376-L380 VanDerWaalsContact O-N 3.15Å
377	T	97.9	Very high	98.1	Very high	130 Å²	130	56.9 Å²	56.9	80%	0.798	33%	0.33	S	S	*	.	H	α-helix	trans	-56.4	-34.8	170.9	-48.3	0	0	0	0	111.9	L380 S381	T377-L380 PolarHBondContact O-N 3.26Å; T377-S381 PolarHBondContact O-N 2.93Å; T377-S381 VanDerWaalsContact O-N 3.08Å
378	Q	97.7	Very high	98.1	Very high	73 Å²	73	55.2 Å²	55.2	34%	0.341	34%	0.335	S	S	.	.	H	α-helix	trans	-65	-45.3	177.1	-175.9	61.3	38.4	0	0	111.7	S174 F175 T376 L380 S381	S174-Q378 VanDerWaalsContact CB-NE2 3.32Å; S174-Q378 WeakPolarHBondContact CB-O 3.35Å; S174-Q378 PolarHBondContact O-NE2 2.9Å; S174-Q378 PolarHBondContact OG-NE2 2.86Å; F175-Q378 HydrophobicContact CE1-CG 4.28Å; F175-Q378 HydrophobicContact CE2-CG 4.01Å; F175-Q378 HydrophobicContact CZ-CG 3.66Å; T376-Q378 PolarHBondContact O-N 3.4Å; Q378-L380 VanDerWaalsContact C-N 3.29Å; Q378-L380 PolarHBondContact O-N 3.03Å; Q378-S381 WeakPolarHBondContact O-CB 3.41Å; Q378-S381 PolarHBondContact O-N 3.2Å; Q378-S381 PolarHBondContact O-OG 3.47Å
379	E	97.9	Very high	98.1	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-36.8	176.1	-74.8	171	82.1	0	0	112.7	H106 R167 Y171 F375 T376 S381	H106-E379 IonicContact CD2-OE1 3.86Å; H106-E379 IonicContact CD2-OE2 3.15Å; H106-E379 IonicContact NE2-OE1 3.73Å; H106-E379 PolarHBondContact NE2-OE1 3Å; H106-E379 VanDerWaalsContact NE2-OE1 3.09Å; H106-E379 IonicContact NE2-OE2 3.34Å; R167-E379 IonicContact CZ-OE1 3.5Å; R167-E379 IonicContact NE-OE1 3.42Å; R167-E379 PolarHBondContact NE-OE1 2.85Å; R167-E379 VanDerWaalsContact NE-OE1 3.17Å; R167-E379 IonicContact NH2-OE1 2.67Å; R167-E379 PolarHBondContact NH2-OE1 3.23Å; R167-E379 IonicContact NH2-OE2 3.57Å; R167-E379 PolarHBondContact NH2-OE2 3.39Å; Y171-E379 HydrophobicContact CD2-CG 3.83Å; F375-E379 HydrophobicContact CD1-CB 4.07Å; F375-E379 WeakPolarHBondContact CD1-OE1 3.38Å; T376-E379 PolarHBondContact N-OE2 3.37Å; T376-E379 PolarHBondContact O-N 3.13Å; T376-E379 VanDerWaalsContact O-N 3.17Å; T376-E379 WeakPolarHBondContact OG1-CG 2.83Å; T376-E379 PolarHBondContact OG1-N 3.42Å; T376-E379 PolarHBondContact OG1-OE2 2.92Å; T376-E379 VanDerWaalsContact OG1-OE2 3.11Å; E379-S381 VanDerWaalsContact C-N 3.33Å
380	L	98.4	Very high	98.1	Very high	21 Å²	21	52.4 Å²	52.4	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-84.1	-6.3	-178.1	-65.4	169.1	0	0	0	113.7	L345 F375 T376 T377 Q378 S382 N383 P384 A387 L390 I391	L345-L380 HydrophobicContact CD1-CD2 4.29Å; L345-L380 HydrophobicContact CD2-CD2 4.26Å; F375-L380 HydrophobicContact CB-CD1 3.95Å; F375-L380 HydrophobicContact CB-CD2 4.19Å; F375-L380 HydrophobicContact CB-CG 3.95Å; F375-L380 HydrophobicContact CD1-CD2 4.19Å; F375-L380 HydrophobicContact CG-CD2 4.24Å; F375-L380 HydrophobicContact CG-CG 4.5Å; T376-L380 PolarHBondContact O-N 3.43Å; T376-L380 VanDerWaalsContact O-N 3.15Å; T377-L380 PolarHBondContact O-N 3.26Å; Q378-L380 VanDerWaalsContact C-N 3.29Å; Q378-L380 PolarHBondContact O-N 3.03Å; L380-S382 PolarHBondContact O-N 2.88Å; L380-S382 VanDerWaalsContact O-N 3.09Å; L380-N383 CarbonylContact O-C 3.58Å; L380-N383 VanDerWaalsContact O-C 3.24Å; L380-N383 PolarHBondContact O-N 2.9Å; L380-P384 WeakPolarHBondContact O-CA 3.42Å; L380-P384 WeakPolarHBondContact O-CD 3.33Å; L380-P384 VanDerWaalsContact O-N 3.08Å; L380-A387 HydrophobicContact CD1-CB 3.97Å; L380-A387 HydrophobicContact CD2-CB 4.23Å; L380-L390 HydrophobicContact CD2-CD1 3.74Å; L380-I391 HydrophobicContact CD1-CD1 4.49Å
381	S	97.9	Very high	98.1	Very high	60 Å²	60	53 Å²	53	42%	0.42	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.4	-170.1	60.7	0	0	0	0	114.7	T377 Q378 E379	T377-S381 PolarHBondContact O-N 2.93Å; T377-S381 VanDerWaalsContact O-N 3.08Å; Q378-S381 WeakPolarHBondContact O-CB 3.41Å; Q378-S381 PolarHBondContact O-N 3.2Å; Q378-S381 PolarHBondContact O-OG 3.47Å; E379-S381 VanDerWaalsContact C-N 3.33Å
382	S	96.3	Very high	98.1	Very high	80 Å²	80	50.7 Å²	50.7	56%	0.559	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-30	179	61.8	0	0	0	0	113.6	L345 L380	L345-S382 WeakPolarHBondContact CD2-OG 3.47Å; L380-S382 PolarHBondContact O-N 2.88Å; L380-S382 VanDerWaalsContact O-N 3.09Å
383	N	97.9	Very high	98	Very high	48 Å²	48	54.9 Å²	54.9	26%	0.257	33%	0.327	S	S	.	.			trans	-159	78.1	178.7	-168.1	-16.6	0	0	0	110.9	L345 L380 P385 L386	L345-N383 HydrophobicContact CD2-CB 4.32Å; L380-N383 CarbonylContact O-C 3.58Å; L380-N383 VanDerWaalsContact O-C 3.24Å; L380-N383 PolarHBondContact O-N 2.9Å; N383-P385 VanDerWaalsContact C-CD 3.43Å; N383-P385 VanDerWaalsContact C-N 3.35Å; N383-P385 WeakPolarHBondContact OD1-CD 3.06Å; N383-L386 HydrophobicContact CB-CD1 3.86Å; N383-L386 HydrophobicContact CB-CG 4.08Å; N383-L386 WeakPolarHBondContact O-CB 3.36Å; N383-L386 PolarHBondContact O-N 3.45Å; N383-L386 VanDerWaalsContact O-N 3.1Å
384	P	98.2	Very high	97.9	Very high	82 Å²	82	55.5 Å²	55.5	53%	0.532	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-55.3	-36.5	-176.7	-25.2	33.8	0	0	0	115.4	L380 L386 A387	L380-P384 WeakPolarHBondContact O-CA 3.42Å; L380-P384 WeakPolarHBondContact O-CD 3.33Å; L380-P384 VanDerWaalsContact O-N 3.08Å; P384-L386 PolarHBondContact O-N 3.22Å; P384-L386 VanDerWaalsContact O-N 3.11Å; P384-A387 VanDerWaalsContact O-CB 3.26Å; P384-A387 WeakPolarHBondContact O-CB 3.19Å; P384-A387 PolarHBondContact O-N 3.33Å
385	P	98.6	Very high	97.8	Very high	89 Å²	89	52.1 Å²	52.1	58%	0.578	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-54.8	-26.7	175.4	-30.6	36.3	0	0	0	115.5	N383 A387 T388	N383-P385 VanDerWaalsContact C-CD 3.43Å; N383-P385 VanDerWaalsContact C-N 3.35Å; N383-P385 WeakPolarHBondContact OD1-CD 3.06Å; P385-A387 PolarHBondContact O-N 2.94Å; P385-A387 VanDerWaalsContact O-N 3.15Å; P385-T388 PolarHBondContact O-N 3.43Å; P385-T388 PolarHBondContact O-OG1 3.02Å
386	L	98.3	Very high	97.4	Very high	24 Å²	24	56.8 Å²	56.8	13%	0.126	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-64.1	-17.1	177.6	-70.1	179.9	0	0	0	113.2	L345 E346 A349 N383 P384 T388 I389 L390	L345-L386 HydrophobicContact CB-CD1 4.27Å; L345-L386 HydrophobicContact CD2-CD1 4.21Å; L345-L386 HydrophobicContact CG-CD1 3.95Å; E346-L386 HydrophobicContact CG-CD1 3.9Å; A349-L386 HydrophobicContact CB-CD2 4.13Å; N383-L386 HydrophobicContact CB-CD1 3.86Å; N383-L386 HydrophobicContact CB-CG 4.08Å; N383-L386 WeakPolarHBondContact O-CB 3.36Å; N383-L386 PolarHBondContact O-N 3.45Å; N383-L386 VanDerWaalsContact O-N 3.1Å; P384-L386 PolarHBondContact O-N 3.22Å; P384-L386 VanDerWaalsContact O-N 3.11Å; L386-T388 PolarHBondContact O-N 3.27Å; L386-I389 HydrophobicContact CD2-CD1 4.39Å; L386-I389 PolarHBondContact O-N 3.25Å; L386-L390 HydrophobicContact CB-CD1 3.81Å; L386-L390 HydrophobicContact CB-CG 4.29Å; L386-L390 WeakPolarHBondContact O-CB 3.32Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.44Å; L386-L390 PolarHBondContact O-N 3.38Å
387	A	97.9	Very high	96.8	Very high	23 Å²	23	59.5 Å²	59.5	19%	0.19	34%	0.342	C	S	.	.	H	α-helix	trans	-53.4	-28.7	172.9	0	0	0	0	0	112.9	L380 P384 P385 I389 I391	L380-A387 HydrophobicContact CD1-CB 3.97Å; L380-A387 HydrophobicContact CD2-CB 4.23Å; P384-A387 VanDerWaalsContact O-CB 3.26Å; P384-A387 WeakPolarHBondContact O-CB 3.19Å; P384-A387 PolarHBondContact O-N 3.33Å; P385-A387 PolarHBondContact O-N 2.94Å; P385-A387 VanDerWaalsContact O-N 3.15Å; A387-I389 VanDerWaalsContact C-N 3.27Å; A387-I389 PolarHBondContact O-N 3.04Å; A387-I391 HydrophobicContact CB-CD1 4.31Å; A387-I391 WeakPolarHBondContact O-CB 3.47Å; A387-I391 PolarHBondContact O-N 3.36Å
388	T	97.9	Very high	95.7	Very high	99 Å²	99	59.7 Å²	59.7	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-63.1	-31.9	177.4	57.8	0	0	0	0	113.3	P385 L386 R396	P385-T388 PolarHBondContact O-N 3.43Å; P385-T388 PolarHBondContact O-OG1 3.02Å; L386-T388 PolarHBondContact O-N 3.27Å; T388-R396 PolarHBondContact O-NH2 3.48Å
389	I	98.4	Very high	94.6	Very high	79 Å²	79	58.9 Å²	58.9	41%	0.405	34%	0.339	S	S	.	.	H	α-helix	trans	-92.7	-43.6	176.6	-59.4	171.7	0	0	0	110.6	A349 R357 L386 A387 I391	A349-I389 HydrophobicContact CB-CB 4.42Å; A349-I389 HydrophobicContact CB-CG2 4.01Å; R357-I389 VanDerWaalsContact CD-O 3.24Å; R357-I389 WeakPolarHBondContact CD-O 3.1Å; L386-I389 HydrophobicContact CD2-CD1 4.39Å; L386-I389 PolarHBondContact O-N 3.25Å; A387-I389 VanDerWaalsContact C-N 3.27Å; A387-I389 PolarHBondContact O-N 3.04Å; I389-I391 PolarHBondContact O-N 2.65Å
390	L	98.4	Very high	93.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-69.8	-32.4	-172.7	-67	170.8	0	0	0	113.4	L345 C348 A349 F373 F375 L380 L386 P392	L345-L390 HydrophobicContact CD1-CD1 3.41Å; L345-L390 VanDerWaalsContact CD1-CD1 3.41Å; L345-L390 HydrophobicContact CD2-CD1 4.39Å; L345-L390 HydrophobicContact CG-CD1 3.76Å; C348-L390 HydrophobicContact CB-CD2 3.47Å; C348-L390 VanDerWaalsContact CB-CD2 3.47Å; A349-L390 HydrophobicContact CB-CD2 3.98Å; A349-L390 HydrophobicContact CB-CG 4.41Å; F373-L390 VanDerWaalsContact CD1-O 3.23Å; F373-L390 WeakPolarHBondContact CD1-O 3.31Å; F375-L390 HydrophobicContact CD2-CB 4.25Å; F375-L390 HydrophobicContact CE1-CD1 4.31Å; F375-L390 HydrophobicContact CE2-CB 3.8Å; F375-L390 HydrophobicContact CZ-CB 4.13Å; F375-L390 HydrophobicContact CZ-CD1 4.27Å; F375-L390 HydrophobicContact CZ-CD2 4.09Å; F375-L390 HydrophobicContact CZ-CG 4.4Å; L380-L390 HydrophobicContact CD2-CD1 3.74Å; L386-L390 HydrophobicContact CB-CD1 3.81Å; L386-L390 HydrophobicContact CB-CG 4.29Å; L386-L390 WeakPolarHBondContact O-CB 3.32Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.44Å; L386-L390 PolarHBondContact O-N 3.38Å; L390-P392 WeakPolarHBondContact O-CD 3.27Å
391	I	98.4	Very high	91.6	Very high	35 Å²	35	65.2 Å²	65.2	18%	0.179	40%	0.395	C	S	.	.	S	Bend	trans	-109.2	96	-179.1	-51.5	176.2	0	0	0	108.3	F375 L380 A387 I389 A395 R396	F375-I391 HydrophobicContact CB-CD1 4.46Å; F375-I391 HydrophobicContact CD2-CG1 4.07Å; L380-I391 HydrophobicContact CD1-CD1 4.49Å; A387-I391 HydrophobicContact CB-CD1 4.31Å; A387-I391 WeakPolarHBondContact O-CB 3.47Å; A387-I391 PolarHBondContact O-N 3.36Å; I389-I391 PolarHBondContact O-N 2.65Å; I391-A395 HydrophobicContact CG2-CB 4.29Å; I391-R396 HydrophobicContact CG2-CG 3.71Å; I391-R396 PolarHBondContact O-NE 2.83Å; I391-R396 VanDerWaalsContact O-NE 3.11Å; I391-R396 PolarHBondContact O-NH2 2.9Å
392	P	97.8	Very high	89.7	Confident	8 Å²	8	66.8 Å²	66.8	5%	0.052	41%	0.406	C	S	.	.			trans	-67.4	159.1	-177.2	29	-35.4	0	0	0	111.7	R357 F373 L390 H394 A395 R396	R357-P392 HydrophobicContact CB-CB 4.33Å; R357-P392 HydrophobicContact CB-CG 4.39Å; R357-P392 HydrophobicContact CG-CG 4.43Å; F373-P392 HydrophobicContact CD1-CG 4.21Å; F373-P392 HydrophobicContact CD2-CG 3.93Å; F373-P392 HydrophobicContact CE1-CG 4.14Å; F373-P392 HydrophobicContact CE2-CG 3.84Å; F373-P392 HydrophobicContact CG-CG 4.11Å; F373-P392 HydrophobicContact CZ-CG 3.94Å; L390-P392 WeakPolarHBondContact O-CD 3.27Å; P392-H394 VanDerWaalsContact C-N 3.31Å; P392-H394 WeakPolarHBondContact CG-CE1 3.45Å; P392-H394 PolarHBondContact O-N 3.27Å; P392-A395 HydrophobicContact CG-CB 4.01Å; P392-A395 PolarHBondContact O-N 3.39Å; P392-A395 VanDerWaalsContact O-N 3.07Å; P392-R396 PolarHBondContact O-N 3.29Å
393	P	97.4	Very high	87.3	Confident	93 Å²	93	67.4 Å²	67.4	60%	0.604	41%	0.407	S	S	*	.	H	α-helix	trans	-53.9	-41.9	-174.9	-28.2	35.3	0	0	0	114.4	A395 R396 I397	P393-A395 VanDerWaalsContact C-N 3.3Å; P393-A395 PolarHBondContact O-N 2.91Å; P393-R396 PolarHBondContact O-N 2.86Å; P393-I397 PolarHBondContact O-N 2.82Å
394	H	96.1	Very high	84.6	Confident	46 Å²	46	70.4 Å²	70.4	21%	0.213	43%	0.429	C	S	.	.	H	α-helix	trans	-64.9	-31.6	-178.8	64.9	-101.7	0	0	0	112.9	R357 P359 F373 P392 I397 Q398	R357-H394 PolarHBondContact O-CE1 3.06Å; R357-H394 VanDerWaalsContact O-CE1 3.23Å; P359-H394 HydrophobicContact CB-CB 4.31Å; F373-H394 AromaticContact CE2-NE2 3.8Å; P392-H394 VanDerWaalsContact C-N 3.31Å; P392-H394 WeakPolarHBondContact CG-CE1 3.45Å; P392-H394 PolarHBondContact O-N 3.27Å; H394-I397 PolarHBondContact O-N 3.37Å; H394-Q398 PolarHBondContact O-N 2.96Å
395	A	94.9	Very high	81.9	Confident	13 Å²	13	72 Å²	72	11%	0.107	44%	0.438	C	S	.	.	H	α-helix	trans	-72.3	-30.8	177.8	0	0	0	0	0	112	F373 I391 P392 P393 Q398 A399	F373-A395 HydrophobicContact CB-CB 3.88Å; F373-A395 HydrophobicContact CD2-CB 3.75Å; F373-A395 HydrophobicContact CG-CB 4.1Å; I391-A395 HydrophobicContact CG2-CB 4.29Å; P392-A395 HydrophobicContact CG-CB 4.01Å; P392-A395 PolarHBondContact O-N 3.39Å; P392-A395 VanDerWaalsContact O-N 3.07Å; P393-A395 VanDerWaalsContact C-N 3.3Å; P393-A395 PolarHBondContact O-N 2.91Å; A395-Q398 PolarHBondContact O-N 3.29Å; A395-A399 PolarHBondContact O-N 2.9Å; A395-A399 VanDerWaalsContact O-N 3.11Å
396	R	91.1	Very high	79.2	Confident	122 Å²	122	75.3 Å²	75.3	46%	0.46	45%	0.45	S	S	.	.	H	α-helix	trans	-67.4	-38.7	175.6	-58.5	-178.3	-167	166.7	6.6	111.6	T388 I391 P392 P393 A399 A400	T388-R396 PolarHBondContact O-NH2 3.48Å; I391-R396 HydrophobicContact CG2-CG 3.71Å; I391-R396 PolarHBondContact O-NE 2.83Å; I391-R396 VanDerWaalsContact O-NE 3.11Å; I391-R396 PolarHBondContact O-NH2 2.9Å; P392-R396 PolarHBondContact O-N 3.29Å; P393-R396 PolarHBondContact O-N 2.86Å; R396-A399 PolarHBondContact O-N 3.41Å; R396-A400 PolarHBondContact O-N 2.67Å
397	I	84.9	Confident	76.3	Confident	123 Å²	123	79.4 Å²	79.4	63%	0.631	48%	0.476	S	S	*	.	H	α-helix	trans	-66	-43.9	177.8	-61.5	168.8	0	0	0	110.4	P393 H394 A399 A400 A401	P393-I397 PolarHBondContact O-N 2.82Å; H394-I397 PolarHBondContact O-N 3.37Å; I397-A399 VanDerWaalsContact C-N 3.35Å; I397-A399 PolarHBondContact O-N 3.24Å; I397-A400 PolarHBondContact O-N 3.16Å; I397-A401 WeakPolarHBondContact O-CB 3.37Å; I397-A401 PolarHBondContact O-N 3.4Å
398	Q	76.2	Confident	73.3	Confident	133 Å²	133	84.9 Å²	84.9	62%	0.621	51%	0.508	S	S	*	.	H	α-helix	trans	-62.8	-38.8	176.6	-73.1	178.6	-4.6	0	0	112.7	H394 A395 A401 S402	H394-Q398 PolarHBondContact O-N 2.96Å; A395-Q398 PolarHBondContact O-N 3.29Å; Q398-A401 PolarHBondContact O-N 2.64Å; Q398-S402 WeakPolarHBondContact O-CB 3.37Å; Q398-S402 PolarHBondContact O-N 2.96Å; Q398-S402 VanDerWaalsContact O-N 3.08Å; Q398-S402 PolarHBondContact O-OG 3.09Å
399	A	73.8	Confident	70.3	Confident	56 Å²	56	84.3 Å²	84.3	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-65.9	-41.1	175.6	0	0	0	0	0	112	A395 R396 I397 S402 T403	A395-A399 PolarHBondContact O-N 2.9Å; A395-A399 VanDerWaalsContact O-N 3.11Å; R396-A399 PolarHBondContact O-N 3.41Å; I397-A399 VanDerWaalsContact C-N 3.35Å; I397-A399 PolarHBondContact O-N 3.24Å; A399-S402 WeakPolarHBondContact CA-OG 3.17Å; A399-S402 PolarHBondContact O-N 3.31Å; A399-S402 PolarHBondContact O-OG 3.36Å; A399-S402 VanDerWaalsContact O-OG 3.13Å; A399-T403 PolarHBondContact O-N 2.63Å; A399-T403 PolarHBondContact O-OG1 2.93Å
400	A	68.6	Low	67.2	Low	71 Å²	71	85.8 Å²	85.8	59%	0.587	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-38.4	175.8	0	0	0	0	0	112.3	R396 I397	R396-A400 PolarHBondContact O-N 2.67Å; I397-A400 PolarHBondContact O-N 3.16Å
401	A	64.2	Low	64.1	Low	86 Å²	86	90.4 Å²	90.4	71%	0.711	56%	0.563	S	S	*	*	H	α-helix	trans	-73.8	-24.7	179	0	0	0	0	0	114.3	I397 Q398	I397-A401 WeakPolarHBondContact O-CB 3.37Å; I397-A401 PolarHBondContact O-N 3.4Å; Q398-A401 PolarHBondContact O-N 2.64Å
402	S	59	Low	61.2	Low	93 Å²	93	96.6 Å²	96.6	65%	0.65	60%	0.596	S	S	*	*	H	α-helix	trans	-89.5	-4.5	178.7	48.8	0	0	0	0	113.7	Q398 A399	Q398-S402 WeakPolarHBondContact O-CB 3.37Å; Q398-S402 PolarHBondContact O-N 2.96Å; Q398-S402 VanDerWaalsContact O-N 3.08Å; Q398-S402 PolarHBondContact O-OG 3.09Å; A399-S402 WeakPolarHBondContact CA-OG 3.17Å; A399-S402 PolarHBondContact O-N 3.31Å; A399-S402 PolarHBondContact O-OG 3.36Å; A399-S402 VanDerWaalsContact O-OG 3.13Å
403	T	44.5	Very low	58.1	Low	93 Å²	93	101.8 Å²	101.8	57%	0.571	63%	0.628	S	S	*	*	S	Bend	trans	-82.4	120.4	171	-51.1	0	0	0	0	108.5	A399 T405	A399-T403 PolarHBondContact O-N 2.63Å; A399-T403 PolarHBondContact O-OG1 2.93Å; T403-T405 PolarHBondContact O-N 2.99Å
404	P	41.6	Very low	55.3	Low	111 Å²	111	105.6 Å²	105.6	72%	0.721	64%	0.643	S	S	*	*			trans	-61.6	115.9	178.1	-15.8	28	0	0	0	109.1	N406	P404-N406 VanDerWaalsContact C-N 3.31Å; P404-N406 PolarHBondContact O-N 3.34Å
405	T	42.6	Very low	52.4	Low	116 Å²	116	108.6 Å²	108.6	71%	0.712	67%	0.669	S	S	*	*			trans	-67.9	95.6	164.4	42.5	0	0	0	0	107.5	T403 T407	T403-T405 PolarHBondContact O-N 2.99Å; T405-T407 PolarHBondContact O-N 2.78Å
406	N	42.1	Very low	49.6	Very low	158 Å²	158	111.6 Å²	111.6	85%	0.845	70%	0.702	S	S	*	*			trans	-67.3	70.3	155.5	-91.6	-3.3	0	0	0	108.2	P404	P404-N406 VanDerWaalsContact C-N 3.31Å; P404-N406 PolarHBondContact O-N 3.34Å
407	T	37	Very low	46.9	Very low	110 Å²	110	113.6 Å²	113.6	68%	0.675	72%	0.721	S	S	*	*			trans	-98.2	88.8	157.9	37.5	0	0	0	0	105.9	T405 A409	T405-T407 PolarHBondContact O-N 2.78Å; T407-A409 PolarHBondContact O-N 3.02Å
408	T	35.2	Very low	44.5	Very low	138 Å²	138	119.2 Å²	119.2	85%	0.847	74%	0.735	S	S	*	*			trans	-58.8	97.5	153.6	32.6	0	0	0	0	106.9	S410	T408-S410 PolarHBondContact O-N 2.84Å
409	A	34.4	Very low	42.4	Very low	87 Å²	87	116.5 Å²	116.5	72%	0.719	74%	0.742	S	S	*	*			trans	-60.7	112.3	160.4	0	0	0	0	0	106.8	T407 S411	T407-A409 PolarHBondContact O-N 3.02Å; A409-S411 VanDerWaalsContact C-N 3.33Å; A409-S411 PolarHBondContact O-N 3.46Å
410	S	33.1	Very low	40.5	Very low	110 Å²	110	123 Å²	123	77%	0.769	76%	0.763	S	S	*	*			trans	-61.2	101.1	162.9	50.5	0	0	0	0	107	T408 D412	T408-S410 PolarHBondContact O-N 2.84Å; S410-D412 PolarHBondContact O-N 3.21Å
411	S	33.2	Very low	38.9	Very low	97 Å²	97	126.2 Å²	126.2	68%	0.678	78%	0.776	S	S	*	*			trans	-75.8	108.8	162.9	31.3	0	0	0	0	106.4	A409 T413	A409-S411 VanDerWaalsContact C-N 3.33Å; A409-S411 PolarHBondContact O-N 3.46Å; S411-T413 VanDerWaalsContact C-N 3.32Å; S411-T413 PolarHBondContact O-N 2.87Å
412	D	36.8	Very low	37.4	Very low	164 Å²	164	130 Å²	130	88%	0.877	78%	0.784	S	S	*	*			trans	-60.9	98.6	158.6	-82.8	-33.3	0	0	0	107.9	S410	S410-D412 PolarHBondContact O-N 3.21Å
413	T	34	Very low	36.1	Very low	118 Å²	118	133.7 Å²	133.7	72%	0.724	80%	0.796	S	S	*	*			trans	-109.8	100.5	162.8	35.3	0	0	0	0	109	S411 S415	S411-T413 VanDerWaalsContact C-N 3.32Å; S411-T413 PolarHBondContact O-N 2.87Å; T413-S415 PolarHBondContact O-N 2.76Å
414	N	38.2	Very low	35.6	Very low	172 Å²	172	133.9 Å²	133.9	92%	0.92	81%	0.807	S	S	*	*			trans	-60.8	111.7	165.1	-161.9	13.9	0	0	0	109.1
415	S	35.1	Very low	35.2	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	81%	0.814	S	S	*	*			trans	-144.1	103.6	164.6	60.8	0	0	0	0	109.2	T413	T413-S415 PolarHBondContact O-N 2.76Å
416	G	35.6	Very low	34.8	Very low	77 Å²	77	134.1 Å²	134.1	79%	0.794	82%	0.822	S	S	*	*			trans	-73	134.8	165.8	0	0	0	0	0	110.3
417	D	34.2	Very low	34.5	Very low	163 Å²	163	131.5 Å²	131.5	87%	0.872	82%	0.823	S	S	*	*			trans	-154.2	119.9	139.7	-158.3	3.8	0	0	0	108.7
418	R	35.4	Very low	34.4	Very low	242 Å²	242	132 Å²	132	91%	0.913	83%	0.831	S	S	*	*			trans	-97	111.4	179.1	-92.8	-177.1	172.9	175.5	-1.7	107.5	Q420	R418-Q420 PolarHBondContact O-N 3.18Å
419	G	31.8	Very low	34.4	Very low	75 Å²	75	129.6 Å²	129.6	77%	0.773	83%	0.825	S	S	*	*			trans	-57.6	131.4	168.2	0	0	0	0	0	112
420	Q	33.7	Very low	34.4	Very low	192 Å²	192	130.6 Å²	130.6	90%	0.897	83%	0.827	S	S	*	*			trans	-65.2	130.1	170.7	-71.5	171.8	-13.9	0	0	110.8	R418	R418-Q420 PolarHBondContact O-N 3.18Å
421	T	34.4	Very low	34.4	Very low	140 Å²	140	132.6 Å²	132.6	86%	0.859	83%	0.829	S	S	*	*			trans	-128.7	125	156.3	43.8	0	0	0	0	109.5
422	N	32.5	Very low	34.8	Very low	165 Å²	165	133 Å²	133	88%	0.882	83%	0.832	S	S	*	*			trans	-64.2	130.8	178.6	-76	-33.2	0	0	0	111.2
423	N	32.4	Very low	35.2	Very low	171 Å²	171	135.3 Å²	135.3	91%	0.914	85%	0.852	S	S	*	*			trans	-106.1	122.2	161.9	-97.8	-14.8	0	0	0	109.2
424	A	33.8	Very low	35.3	Very low	97 Å²	97	136.2 Å²	136.2	80%	0.802	86%	0.858	S	S	*	*			trans	-101.8	129.3	166.6	0	0	0	0	0	109.8
425	A	34.7	Very low	35.1	Very low	103 Å²	103	134.3 Å²	134.3	85%	0.851	86%	0.855	S	S	*	*			trans	48.8	111.9	150	0	0	0	0	0	120.1
426	S	33.3	Very low	35.1	Very low	128 Å²	128	135.7 Å²	135.7	90%	0.895	86%	0.86	S	S	*	*			trans	-83.5	132	155.1	43.5	0	0	0	0	110.6
427	A	35.2	Very low	35.1	Very low	104 Å²	104	139.2 Å²	139.2	86%	0.86	86%	0.864	S	S	*	*			trans	-121.8	130.4	162.8	0	0	0	0	0	109
428	S	35.3	Very low	35.1	Very low	120 Å²	120	137.7 Å²	137.7	84%	0.839	86%	0.864	S	S	*	*			trans	-70.7	148.9	177.6	50.9	0	0	0	0	114.1
429	A	34.7	Very low	35.1	Very low	88 Å²	88	130.7 Å²	130.7	73%	0.727	86%	0.861	S	S	*	*			trans	162.2	106.1	144.7	0	0	0	0	0	108.2
430	S	34.5	Very low	35.4	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	87%	0.867	S	S	*	*				77.4	113.5	85.2	72.7	0	0	0	0	115.6
431	N	34.4	Very low	35.5	Very low	153 Å²	153	130.3 Å²	130.3	82%	0.818	86%	0.864	S	S	*	*			trans	63.1	133.3	138.2	-78.3	-0.3	0	0	0	123.7
432	S	41.8	Very low	35.6	Very low	106 Å²	106	129.5 Å²	129.5	74%	0.741	87%	0.865	S	S	*	*			trans	60.6	130.3	145.2	53.5	0	0	0	0	117.1
433	T	44.6	Very low	35.9	Very low	212 Å²	212	126.3 Å²	126.3	100%	1.301	86%	0.863	S	S	*	*			cis	-160.2	0	46.4	-19	0	0	0	0	109.8

Retrieved 433 of 433 residues in 79.8 ms (Link to these results)

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