A0A5K4FGD9_SCHMA Loading...

Ras-related protein Rab-10

AlphaFold DB , UniProt , Accession A0A5K4FGD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 236 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	33	Very low	56.6	Low	246 Å²	246	120.1 Å²	120.1	100%	1.212	71%	0.705	S	S	*	*				0	106.3	0	-75.8	172	111.8	0	0	108.5
2	S	38.4	Very low	59.9	Low	121 Å²	121	114.7 Å²	114.7	85%	0.846	67%	0.674	S	S	*	*			trans	-171.6	102	150.7	28.4	0	0	0	0	104.5
3	Q	39.1	Very low	62.8	Low	194 Å²	194	106.5 Å²	106.5	91%	0.907	63%	0.626	S	S	*	*			trans	-62.8	140.6	177.5	-70.2	172.4	-0.1	0	0	108.7	S5	Q3-S5 PolarHBondContact O-N 3.3Å
4	D	41.8	Very low	65.1	Low	164 Å²	164	101 Å²	101	88%	0.877	59%	0.59	S	S	*	*			trans	-45.7	112.2	173.4	-71.3	-47.2	0	0	0	109.9	A6	D4-A6 PolarHBondContact O-N 3.07Å
5	S	43.7	Very low	67.2	Low	112 Å²	112	94.3 Å²	94.3	78%	0.783	55%	0.551	S	S	*	*			trans	-67.2	93.8	162.6	47.1	0	0	0	0	105.6	Q3 S7	Q3-S5 PolarHBondContact O-N 3.3Å; S5-S7 VanDerWaalsContact C-N 3.32Å; S5-S7 PolarHBondContact O-N 3.19Å
6	A	52.8	Low	68.9	Low	81 Å²	81	88.4 Å²	88.4	67%	0.669	52%	0.516	S	S	*	.			trans	-45.1	108.9	159.7	0	0	0	0	0	105.3	D4 N8	D4-A6 PolarHBondContact O-N 3.07Å; A6-N8 VanDerWaalsContact C-N 3.32Å; A6-N8 PolarHBondContact O-N 2.9Å
7	S	50	Low	70.5	Confident	102 Å²	102	83.2 Å²	83.2	71%	0.713	49%	0.486	S	S	*	.			trans	-54.9	105.1	-175.8	62.1	0	0	0	0	105.4	S5 S9	S5-S7 VanDerWaalsContact C-N 3.32Å; S5-S7 PolarHBondContact O-N 3.19Å; S7-S9 PolarHBondContact O-N 3.46Å
8	N	58.2	Low	71.7	Confident	161 Å²	161	78.6 Å²	78.6	86%	0.861	46%	0.459	S	S	*	.			trans	-80	59.7	-168.5	-131.7	5.1	0	0	0	107.3	A6 L10	A6-N8 VanDerWaalsContact C-N 3.32Å; A6-N8 PolarHBondContact O-N 2.9Å; N8-L10 PolarHBondContact O-N 3.3Å
9	S	80.7	Confident	72.9	Confident	83 Å²	83	74.4 Å²	74.4	58%	0.58	44%	0.435	S	S	*	.			trans	-64.7	121.2	-172.2	69.3	0	0	0	0	107.3	S7 P11	S7-S9 PolarHBondContact O-N 3.46Å; S9-P11 VanDerWaalsContact O-CD 3.26Å; S9-P11 WeakPolarHBondContact O-CD 3.44Å; S9-P11 VanDerWaalsContact O-N 3.1Å
10	L	90.2	Very high	73.9	Confident	50 Å²	50	72.2 Å²	72.2	26%	0.262	42%	0.421	S	S	.	.			trans	-52.9	114.9	177.8	-177.7	70.9	0	0	0	109.2	N8 T12 T54 L61 R63	N8-L10 PolarHBondContact O-N 3.3Å; L10-T12 PolarHBondContact O-N 3.32Å; L10-T12 PolarHBondContact O-OG1 3.38Å; L10-T12 VanDerWaalsContact O-OG1 3.11Å; L10-T54 HydrophobicContact CD1-CG2 4.43Å; L10-T54 HydrophobicContact CD2-CG2 4.16Å; L10-L61 HydrophobicContact CD1-CB 3.36Å; L10-L61 WeakPolarHBondContact CD1-O 3.37Å; L10-R63 HydrophobicContact CD2-CB 3.77Å; L10-R63 HydrophobicContact CG-CB 4.16Å
11	P	94.7	Very high	74.7	Confident	7 Å²	7	70.4 Å²	70.4	5%	0.045	41%	0.412	C	S	.	.			trans	-52.5	128	177.4	-25.8	33.4	0	0	0	110	S9 F13 Q60 V62 R63 L177	S9-P11 VanDerWaalsContact O-CD 3.26Å; S9-P11 WeakPolarHBondContact O-CD 3.44Å; S9-P11 VanDerWaalsContact O-N 3.1Å; P11-F13 HydrophobicContact CB-CE2 4.34Å; P11-F13 HydrophobicContact CB-CZ 4.36Å; P11-Q60 VanDerWaalsContact CD-NE2 3.31Å; P11-V62 HydrophobicContact CB-CG2 4.49Å; P11-V62 WeakPolarHBondContact O-CA 3.39Å; P11-R63 PolarHBondContact O-N 3.1Å; P11-L177 HydrophobicContact CB-CD1 4.32Å; P11-L177 HydrophobicContact CG-CD1 4.13Å
12	T	96.3	Very high	77.5	Confident	55 Å²	55	62.5 Å²	62.5	34%	0.337	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.4	-178.1	-60.5	0	0	0	0	108.6	L10 R63 Q65	L10-T12 PolarHBondContact O-N 3.32Å; L10-T12 PolarHBondContact O-OG1 3.38Å; L10-T12 VanDerWaalsContact O-OG1 3.11Å; T12-R63 CarbonylContact C-O 3.59Å; T12-R63 VanDerWaalsContact CA-O 3.28Å; T12-R63 WeakPolarHBondContact CA-O 3.3Å; T12-R63 HydrophobicContact CG2-CB 4.2Å; T12-R63 HydrophobicContact CG2-CG 4.22Å; T12-Q65 VanDerWaalsContact CG2-CD 3.43Å; T12-Q65 HydrophobicContact CG2-CG 3.68Å
13	F	97	Very high	80.2	Confident	9 Å²	9	56.7 Å²	56.7	4%	0.039	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.3	178.7	-60.9	-61	0	0	0	111.5	P11 L15 V62 R63 L64 Q65 N87 L176 L177 K180	P11-F13 HydrophobicContact CB-CE2 4.34Å; P11-F13 HydrophobicContact CB-CZ 4.36Å; F13-L15 HydrophobicContact CB-CD1 4.06Å; F13-V62 HydrophobicContact CD2-CG1 3.31Å; F13-V62 HydrophobicContact CE2-CG1 3.5Å; F13-V62 VanDerWaalsContact CE2-CG1 3.5Å; F13-V62 HydrophobicContact CE2-CG2 4.48Å; F13-R63 PolarHBondContact N-O 3.33Å; F13-L64 HydrophobicContact CB-CD2 4.28Å; F13-L64 HydrophobicContact CD2-CD2 4.46Å; F13-Q65 PolarHBondContact O-N 3.38Å; F13-N87 VanDerWaalsContact CA-OD1 3.25Å; F13-N87 WeakPolarHBondContact CA-OD1 3.47Å; F13-N87 HydrophobicContact CB-CB 4.27Å; F13-N87 HydrophobicContact CD1-CB 4.21Å; F13-L176 HydrophobicContact CB-CD1 3.76Å; F13-L176 HydrophobicContact CD1-CB 4.09Å; F13-L176 HydrophobicContact CD1-CD1 4.46Å; F13-L176 HydrophobicContact CD2-CB 3.71Å; F13-L176 HydrophobicContact CD2-CD1 4.15Å; F13-L176 HydrophobicContact CE1-CB 4.09Å; F13-L176 HydrophobicContact CE2-CB 3.72Å; F13-L176 HydrophobicContact CG-CB 3.92Å; F13-L176 HydrophobicContact CG-CD1 3.89Å; F13-L176 HydrophobicContact CG-CG 4.5Å; F13-L176 HydrophobicContact CZ-CB 3.92Å; F13-L176 WeakPolarHBondContact CZ-O 3.42Å; F13-L177 HydrophobicContact CE2-CB 4.4Å; F13-K180 HydrophobicContact CE1-CB 4.17Å; F13-K180 HydrophobicContact CE1-CD 4.04Å; F13-K180 HydrophobicContact CZ-CB 4.08Å; F13-K180 HydrophobicContact CZ-CD 3.99Å
14	K	95.2	Very high	82.9	Confident	29 Å²	29	48 Å²	48	13%	0.126	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.8	177.1	-177.8	175.1	171.1	-175.1	0	110.7	Q65 Y82 R84 N87 A88	K14-Q65 CarbonylContact C-O 3.54Å; K14-Q65 WeakPolarHBondContact CA-O 3.33Å; K14-Y82 WeakPolarHBondContact CE-O 3.46Å; K14-Y82 PolarHBondContact NZ-O 3.17Å; K14-R84 PolarHBondContact NZ-O 2.8Å; K14-N87 PolarHBondContact N-OD1 3.13Å; K14-N87 PolarHBondContact O-N 2.8Å; K14-A88 PolarHBondContact O-N 3.04Å; K14-A88 VanDerWaalsContact O-N 3.16Å
15	L	96.8	Very high	85.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.8	178	-79.8	60.9	0	0	0	108.7	F13 L64 Q65 I66 W67 A88 L90 F169 I172 L176	F13-L15 HydrophobicContact CB-CD1 4.06Å; L15-L64 HydrophobicContact CD1-CD2 3.93Å; L15-L64 HydrophobicContact CD2-CB 4.47Å; L15-L64 HydrophobicContact CD2-CD1 4.19Å; L15-L64 HydrophobicContact CD2-CD2 4.41Å; L15-Q65 PolarHBondContact N-O 3.01Å; L15-I66 HydrophobicContact CB-CG1 4.21Å; L15-I66 HydrophobicContact CB-CG2 4.41Å; L15-I66 HydrophobicContact CD2-CG1 4.27Å; L15-I66 WeakPolarHBondContact O-CA 3.47Å; L15-W67 PolarHBondContact O-N 3.09Å; L15-A88 CarbonylContact C-O 3.59Å; L15-A88 VanDerWaalsContact CA-O 3.31Å; L15-A88 WeakPolarHBondContact CA-O 3.45Å; L15-A88 HydrophobicContact CG-CB 4.19Å; L15-L90 HydrophobicContact CB-CD1 4.3Å; L15-L90 HydrophobicContact CD2-CD1 4.09Å; L15-L90 HydrophobicContact CG-CD1 4.2Å; L15-F169 HydrophobicContact CD2-CD1 3.93Å; L15-F169 HydrophobicContact CD2-CE1 3.87Å; L15-I172 HydrophobicContact CD2-CG2 4.05Å; L15-I172 HydrophobicContact CG-CG2 4.46Å; L15-L176 HydrophobicContact CD1-CD1 3.98Å
16	L	94.7	Very high	87.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.4	177.2	-175.3	64.9	0	0	0	109.7	I18 W67 T69 T79 Y83 T86 A88 V89 L90	L16-I18 HydrophobicContact CD2-CG2 4.14Å; L16-I18 HydrophobicContact CG-CG2 3.97Å; L16-W67 HydrophobicContact CD1-CB 3.74Å; L16-T69 HydrophobicContact CD1-CG2 3.55Å; L16-T69 HydrophobicContact CG-CG2 4.47Å; L16-T79 HydrophobicContact CD2-CG2 4.09Å; L16-Y83 HydrophobicContact CD2-CD1 3.87Å; L16-Y83 HydrophobicContact CD2-CE1 3.81Å; L16-Y83 HydrophobicContact CD2-CG 4.31Å; L16-T86 HydrophobicContact CB-CG2 3.81Å; L16-A88 PolarHBondContact N-O 3.25Å; L16-V89 HydrophobicContact CB-CG2 4.09Å; L16-V89 HydrophobicContact CD2-CG2 4.37Å; L16-V89 CarbonylContact O-C 3.49Å; L16-V89 WeakPolarHBondContact O-CA 3.5Å; L16-L90 PolarHBondContact O-N 3.45Å
17	L	95.4	Very high	89.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.8	175.5	-83.2	60	0	0	0	109	K25 L29 I66 W67 T69 L90	L17-K25 HydrophobicContact CB-CB 4.37Å; L17-K25 HydrophobicContact CB-CD 4.45Å; L17-K25 HydrophobicContact CD2-CB 4.39Å; L17-L29 HydrophobicContact CD2-CB 4.29Å; L17-I66 HydrophobicContact CD1-CG2 3.28Å; L17-I66 HydrophobicContact CD2-CG2 4.33Å; L17-I66 HydrophobicContact CG-CG2 4.41Å; L17-W67 PolarHBondContact N-O 3.31Å; L17-T69 WeakPolarHBondContact O-CB 3.48Å; L17-T69 WeakPolarHBondContact O-CG2 3.45Å; L17-T69 PolarHBondContact O-N 2.96Å; L17-T69 PolarHBondContact O-OG1 3.28Å; L17-L90 HydrophobicContact CD1-CB 4.15Å; L17-L90 HydrophobicContact CD1-CD1 4.22Å; L17-L90 HydrophobicContact CD1-CD2 4.19Å; L17-L90 HydrophobicContact CD1-CG 4.43Å; L17-L90 HydrophobicContact CG-CB 4.12Å; L17-L90 HydrophobicContact CG-CD2 4.47Å
18	I	93.4	Very high	92.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	168.7	177.8	57.9	166.4	0	0	0	111	L16 K25 T69 T79 V89 L90 L91 V92 W107 I111	L16-I18 HydrophobicContact CD2-CG2 4.14Å; L16-I18 HydrophobicContact CG-CG2 3.97Å; I18-K25 VanDerWaalsContact C-CD 3.5Å; I18-T69 HydrophobicContact CG2-CG2 4.28Å; I18-T79 HydrophobicContact CG2-CG2 4.07Å; I18-V89 HydrophobicContact CD1-CG1 3.66Å; I18-V89 HydrophobicContact CG1-CG1 3.65Å; I18-L90 PolarHBondContact N-O 2.97Å; I18-L91 HydrophobicContact CD1-CD1 3.94Å; I18-L91 HydrophobicContact CG1-CD1 3.8Å; I18-V92 PolarHBondContact O-N 3.4Å; I18-W107 HydrophobicContact CB-CE3 4.17Å; I18-W107 HydrophobicContact CB-CZ3 4.28Å; I18-W107 HydrophobicContact CD1-CB 4.43Å; I18-W107 HydrophobicContact CD1-CE3 4.05Å; I18-I111 HydrophobicContact CD1-CD1 3.88Å; I18-I111 HydrophobicContact CD1-CG1 3.78Å
19	G	93.6	Very high	93.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.144	C	C	.	.			trans	132.6	172	-172.7	0	0	0	0	0	110.8	K25 G71 W107	G19-K25 PolarHBondContact O-NZ 3.09Å; G19-G71 WeakPolarHBondContact O-CA 3.29Å; G19-W107 WeakPolarHBondContact O-CZ2 3.18Å
20	D	92.8	Very high	94.5	Very high	30 Å²	30	20.6 Å²	20.6	16%	0.16	13%	0.125	C	C	.	.	S	Bend	trans	-59.9	163.8	-174.5	-72	9.9	0	0	0	113.3	V23 K25 S100 N103 W107	D20-V23 HydrophobicContact CB-CG1 3.86Å; D20-V23 VanDerWaalsContact O-CG2 3.24Å; D20-V23 WeakPolarHBondContact O-CG2 3.39Å; D20-K25 PolarHBondContact O-NZ 3.45Å; D20-S100 WeakPolarHBondContact OD2-CA 3.4Å; D20-N103 PolarHBondContact OD2-ND2 3.08Å; D20-W107 PolarHBondContact OD1-NE1 3.11Å
21	S	90.6	Very high	94.9	Very high	34 Å²	34	20.2 Å²	20.2	24%	0.238	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	145.3	169.3	-70.8	0	0	0	0	111.2	V23 G71 Q72	S21-V23 PolarHBondContact O-N 2.95Å; S21-V23 VanDerWaalsContact O-N 3.11Å; S21-G71 PolarHBondContact N-O 3.21Å; S21-G71 VanDerWaalsContact N-O 3.15Å; S21-G71 PolarHBondContact OG-O 2.83Å; S21-G71 VanDerWaalsContact OG-O 3.11Å; S21-Q72 WeakPolarHBondContact OG-CA 3.46Å; S21-Q72 WeakPolarHBondContact OG-CG 3.3Å; S21-Q72 PolarHBondContact OG-N 3.4Å; S21-Q72 VanDerWaalsContact OG-N 3.13Å; S21-Q72 PolarHBondContact OG-OE1 2.81Å
22	C	91.6	Very high	95	Very high	80 Å²	80	19.9 Å²	19.9	54%	0.541	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	11.9	172.9	-53.9	0	0	0	0	116.8	G24 K129	C22-G24 VanDerWaalsContact C-N 3.26Å; C22-K129 WeakPolarHBondContact O-CE 3.48Å; C22-K129 PolarHBondContact O-NZ 3.45Å
23	V	95.2	Very high	94.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-74.9	-15.5	170.8	-56.3	0	0	0	0	113.1	D20 S21 K25 V92 D94 N128	D20-V23 HydrophobicContact CB-CG1 3.86Å; D20-V23 VanDerWaalsContact O-CG2 3.24Å; D20-V23 WeakPolarHBondContact O-CG2 3.39Å; S21-V23 PolarHBondContact O-N 2.95Å; S21-V23 VanDerWaalsContact O-N 3.11Å; V23-K25 HydrophobicContact CG2-CD 4.45Å; V23-K25 HydrophobicContact CG2-CG 3.75Å; V23-V92 HydrophobicContact CB-CG1 4.3Å; V23-V92 HydrophobicContact CG2-CB 3.9Å; V23-V92 HydrophobicContact CG2-CG1 3.83Å; V23-D94 HydrophobicContact CB-CB 4.33Å; V23-D94 HydrophobicContact CG1-CB 4.2Å; V23-N128 PolarHBondContact O-ND2 3.42Å
24	G	95.3	Very high	94.7	Very high	12 Å²	12	24.1 Å²	24.1	12%	0.124	14%	0.136	C	C	.	.	S	Bend	trans	101.9	24.3	173.2	0	0	0	0	0	116.1	C22 T26 S27 L28	C22-G24 VanDerWaalsContact C-N 3.26Å; G24-T26 PolarHBondContact O-N 3.23Å; G24-S27 PolarHBondContact O-N 3.42Å; G24-L28 WeakPolarHBondContact O-CG 3.47Å; G24-L28 PolarHBondContact O-N 3.03Å
25	K	94.9	Very high	94.7	Very high	9 Å²	9	25 Å²	25	4%	0.039	15%	0.152	C	C	.	.	H	α-helix	trans	-52.2	-54.7	176.8	-58	-173.7	-64.5	-76.9	0	112.9	L17 I18 G19 D20 V23 S27 L28 L29 D68 T69 V92	L17-K25 HydrophobicContact CB-CB 4.37Å; L17-K25 HydrophobicContact CB-CD 4.45Å; L17-K25 HydrophobicContact CD2-CB 4.39Å; I18-K25 VanDerWaalsContact C-CD 3.5Å; G19-K25 PolarHBondContact O-NZ 3.09Å; D20-K25 PolarHBondContact O-NZ 3.45Å; V23-K25 HydrophobicContact CG2-CD 4.45Å; V23-K25 HydrophobicContact CG2-CG 3.75Å; K25-S27 VanDerWaalsContact C-N 3.32Å; K25-S27 PolarHBondContact O-N 3Å; K25-L28 WeakPolarHBondContact O-CB 3.37Å; K25-L28 PolarHBondContact O-N 2.96Å; K25-L29 PolarHBondContact O-N 3.05Å; K25-D68 WeakPolarHBondContact CB-OD1 3.43Å; K25-T69 WeakPolarHBondContact CE-O 3.41Å; K25-V92 HydrophobicContact CG-CB 4.13Å; K25-V92 HydrophobicContact CG-CG2 4.14Å
26	T	94.3	Very high	94.6	Very high	38 Å²	38	28.9 Å²	28.9	23%	0.233	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-40.9	176.9	-45.2	0	0	0	0	112	G24 L28 L29 I30 T45 D68	G24-T26 PolarHBondContact O-N 3.23Å; T26-L28 VanDerWaalsContact C-N 3.34Å; T26-L28 PolarHBondContact O-N 3.38Å; T26-L29 PolarHBondContact O-N 2.86Å; T26-I30 HydrophobicContact CG2-CD1 3.91Å; T26-I30 HydrophobicContact CG2-CG1 4.48Å; T26-I30 VanDerWaalsContact O-CG1 3.31Å; T26-I30 WeakPolarHBondContact O-CG1 3.37Å; T26-I30 PolarHBondContact O-N 3.08Å; T26-T45 PolarHBondContact OG1-OG1 3.24Å; T26-D68 VanDerWaalsContact CA-OD2 3.3Å; T26-D68 WeakPolarHBondContact CA-OD2 3.43Å; T26-D68 VanDerWaalsContact CB-OD2 3.23Å; T26-D68 WeakPolarHBondContact CB-OD2 3.35Å; T26-D68 WeakPolarHBondContact CG2-OD2 3.49Å; T26-D68 PolarHBondContact OG1-OD2 3.22Å
27	S	95.5	Very high	94.6	Very high	39 Å²	39	31.2 Å²	31.2	27%	0.273	18%	0.183	S	C	.	.	H	α-helix	trans	-64.6	-37.9	177.3	-50	0	0	0	0	112.3	G24 K25 R31	G24-S27 PolarHBondContact O-N 3.42Å; K25-S27 VanDerWaalsContact C-N 3.32Å; K25-S27 PolarHBondContact O-N 3Å; S27-R31 WeakPolarHBondContact O-CB 3.39Å; S27-R31 PolarHBondContact O-N 3.04Å
28	L	97.2	Very high	94.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-63.8	-44.9	173.1	-76.7	170.2	0	0	0	111.1	G24 K25 T26 R31 F32 V92 V126 N128 T157 A159 V165	G24-L28 WeakPolarHBondContact O-CG 3.47Å; G24-L28 PolarHBondContact O-N 3.03Å; K25-L28 WeakPolarHBondContact O-CB 3.37Å; K25-L28 PolarHBondContact O-N 2.96Å; T26-L28 VanDerWaalsContact C-N 3.34Å; T26-L28 PolarHBondContact O-N 3.38Å; L28-R31 PolarHBondContact O-N 3.37Å; L28-F32 WeakPolarHBondContact O-CB 3.19Å; L28-F32 PolarHBondContact O-N 2.93Å; L28-V92 HydrophobicContact CD1-CG1 3.86Å; L28-V92 HydrophobicContact CD1-CG2 4.18Å; L28-V126 HydrophobicContact CD1-CG1 4.24Å; L28-N128 HydrophobicContact CD1-CB 4.27Å; L28-T157 WeakPolarHBondContact CD2-OG1 3.32Å; L28-A159 HydrophobicContact CD2-CB 3.98Å; L28-A159 HydrophobicContact CG-CB 4.15Å; L28-V165 HydrophobicContact CD2-CG1 4.44Å; L28-V165 HydrophobicContact CD2-CG2 3.72Å
29	L	96.1	Very high	93.8	Very high	4 Å²	4	44 Å²	44	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-47.5	178	-179.8	52.5	0	0	0	111.6	L17 K25 T26 F32 K33 K51 I66 D68	L17-L29 HydrophobicContact CD2-CB 4.29Å; K25-L29 PolarHBondContact O-N 3.05Å; T26-L29 PolarHBondContact O-N 2.86Å; L29-F32 PolarHBondContact O-N 3.45Å; L29-K33 WeakPolarHBondContact O-CB 3.35Å; L29-K33 PolarHBondContact O-N 3.12Å; L29-K51 HydrophobicContact CD1-CB 4.05Å; L29-K51 HydrophobicContact CD1-CG 4.43Å; L29-K51 HydrophobicContact CD2-CB 4.01Å; L29-K51 HydrophobicContact CD2-CG 3.75Å; L29-K51 HydrophobicContact CG-CB 4.3Å; L29-K51 HydrophobicContact CG-CG 4.14Å; L29-I66 HydrophobicContact CD1-CB 3.88Å; L29-I66 HydrophobicContact CD1-CD1 3.72Å; L29-I66 HydrophobicContact CD1-CG1 4.39Å; L29-I66 HydrophobicContact CD1-CG2 3.78Å; L29-I66 HydrophobicContact CD2-CG2 4.27Å; L29-D68 HydrophobicContact CD2-CB 3.65Å
30	I	94.8	Very high	92.9	Very high	35 Å²	35	47.1 Å²	47.1	18%	0.179	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-44.5	177.2	-67.4	168.1	0	0	0	110.6	T26 F32 K33 D34 G35 I36 L38	T26-I30 HydrophobicContact CG2-CD1 3.91Å; T26-I30 HydrophobicContact CG2-CG1 4.48Å; T26-I30 VanDerWaalsContact O-CG1 3.31Å; T26-I30 WeakPolarHBondContact O-CG1 3.37Å; T26-I30 PolarHBondContact O-N 3.08Å; I30-F32 PolarHBondContact O-N 2.73Å; I30-K33 PolarHBondContact O-N 3.03Å; I30-D34 PolarHBondContact O-N 3.41Å; I30-G35 PolarHBondContact O-N 3.49Å; I30-I36 HydrophobicContact CG2-CD1 4.35Å; I30-I36 HydrophobicContact CG2-CG1 3.73Å; I30-L38 HydrophobicContact CD1-CD1 3.86Å; I30-L38 HydrophobicContact CD1-CG 4.49Å; I30-L38 HydrophobicContact CG2-CG 4.47Å
31	R	96.7	Very high	91.7	Very high	42 Å²	42	48.6 Å²	48.6	16%	0.158	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-48.6	177.3	173.8	56.7	69.3	-179.6	7.8	111.2	S27 L28 G35 I36 A159 K160 V165	S27-R31 WeakPolarHBondContact O-CB 3.39Å; S27-R31 PolarHBondContact O-N 3.04Å; L28-R31 PolarHBondContact O-N 3.37Å; R31-G35 PolarHBondContact NH1-O 2.91Å; R31-G35 WeakPolarHBondContact O-CA 3.37Å; R31-G35 PolarHBondContact O-N 3.42Å; R31-I36 VanDerWaalsContact CA-O 3.29Å; R31-I36 WeakPolarHBondContact CA-O 3.31Å; R31-I36 PolarHBondContact N-O 2.79Å; R31-A159 PolarHBondContact NE-O 2.93Å; R31-K160 PolarHBondContact NH2-O 2.95Å; R31-V165 HydrophobicContact CB-CG1 4.46Å; R31-V165 HydrophobicContact CG-CB 4.18Å; R31-V165 HydrophobicContact CG-CG1 4.04Å; R31-V165 HydrophobicContact CG-CG2 4.04Å
32	F	97.5	Very high	90.7	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-64.9	-43.3	178.2	176.6	-122.7	0	0	0	111.8	L28 L29 I30 K53 V55 L64 I66 V165 D166 F169	L28-F32 WeakPolarHBondContact O-CB 3.19Å; L28-F32 PolarHBondContact O-N 2.93Å; L29-F32 PolarHBondContact O-N 3.45Å; I30-F32 PolarHBondContact O-N 2.73Å; F32-K53 HydrophobicContact CD1-CD 4.12Å; F32-K53 HydrophobicContact CE1-CB 4.03Å; F32-K53 HydrophobicContact CE1-CD 3.73Å; F32-K53 HydrophobicContact CE1-CG 4.15Å; F32-K53 HydrophobicContact CE2-CD 4.17Å; F32-K53 HydrophobicContact CZ-CD 3.76Å; F32-K53 HydrophobicContact CZ-CG 4.23Å; F32-K53 PolarHBondContact O-NZ 3.35Å; F32-V55 HydrophobicContact CE2-CG1 4.25Å; F32-V55 HydrophobicContact CZ-CG1 3.65Å; F32-L64 HydrophobicContact CE1-CD1 4.22Å; F32-L64 HydrophobicContact CZ-CD1 4.17Å; F32-I66 HydrophobicContact CD1-CD1 3.79Å; F32-I66 HydrophobicContact CE1-CD1 3.77Å; F32-V165 HydrophobicContact CB-CG1 3.79Å; F32-D166 WeakPolarHBondContact CD2-OD1 3.4Å; F32-F169 HydrophobicContact CB-CD2 3.77Å; F32-F169 HydrophobicContact CB-CE2 3.69Å; F32-F169 HydrophobicContact CB-CZ 4.49Å; F32-F169 HydrophobicContact CD1-CB 4.39Å; F32-F169 HydrophobicContact CD1-CD1 4.04Å; F32-F169 AromaticContact CD1-CD2 3.75Å; F32-F169 HydrophobicContact CD1-CD2 3.75Å; F32-F169 HydrophobicContact CD1-CE1 4.22Å; F32-F169 AromaticContact CD1-CE2 3.95Å; F32-F169 HydrophobicContact CD1-CE2 3.95Å; F32-F169 AromaticContact CD1-CG 3.81Å; F32-F169 HydrophobicContact CD1-CG 3.81Å; F32-F169 HydrophobicContact CD1-CZ 4.18Å; F32-F169 HydrophobicContact CD2-CB 3.82Å; F32-F169 AromaticContact CD2-CD2 3.56Å; F32-F169 HydrophobicContact CD2-CD2 3.56Å; F32-F169 HydrophobicContact CD2-CE2 4.34Å; F32-F169 AromaticContact CD2-CG 3.85Å; F32-F169 HydrophobicContact CD2-CG 3.85Å; F32-F169 HydrophobicContact CE1-CB 3.99Å; F32-F169 AromaticContact CE1-CD1 3.88Å; F32-F169 HydrophobicContact CE1-CD1 3.88Å; F32-F169 HydrophobicContact CE1-CD2 4.19Å; F32-F169 HydrophobicContact CE1-CE1 4.4Å; F32-F169 AromaticContact CE1-CG 3.77Å; F32-F169 HydrophobicContact CE1-CG 3.77Å; F32-F169 HydrophobicContact CE2-CB 3.37Å; F32-F169 HydrophobicContact CE2-CD2 4.03Å; F32-F169 AromaticContact CE2-CG 3.82Å; F32-F169 HydrophobicContact CE2-CG 3.82Å; F32-F169 HydrophobicContact CG-CB 4.31Å; F32-F169 HydrophobicContact CG-CD1 4.5Å; F32-F169 AromaticContact CG-CD2 3.39Å; F32-F169 HydrophobicContact CG-CD2 3.39Å; F32-F169 AromaticContact CG-CE2 3.73Å; F32-F169 HydrophobicContact CG-CE2 3.73Å; F32-F169 AromaticContact CG-CG 3.83Å; F32-F169 HydrophobicContact CG-CG 3.83Å; F32-F169 HydrophobicContact CG-CZ 4.41Å; F32-F169 HydrophobicContact CZ-CB 3.45Å; F32-F169 VanDerWaalsContact CZ-CB 3.45Å; F32-F169 HydrophobicContact CZ-CD1 4.22Å; F32-F169 HydrophobicContact CZ-CD2 4.31Å; F32-F169 AromaticContact CZ-CG 3.77Å; F32-F169 HydrophobicContact CZ-CG 3.77Å
33	K	94.5	Very high	89.9	Confident	69 Å²	69	58.4 Å²	58.4	30%	0.3	32%	0.317	S	S	.	.	H	α-helix	trans	-78.9	-40.6	-170.8	178.3	52.6	-150.6	62.9	0	113	L29 I30 K53	L29-K33 WeakPolarHBondContact O-CB 3.35Å; L29-K33 PolarHBondContact O-N 3.12Å; I30-K33 PolarHBondContact O-N 3.03Å; K33-K53 HydrophobicContact CD-CB 4Å; K33-K53 HydrophobicContact CD-CD 4.23Å; K33-K53 HydrophobicContact CD-CG 4.45Å
34	D	93.7	Very high	89.2	Confident	84 Å²	84	61.2 Å²	61.2	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-122.1	-3.9	-169.2	-56.3	-38.6	0	0	0	113.2	I30 I36	I30-D34 PolarHBondContact O-N 3.41Å; D34-I36 VanDerWaalsContact C-N 3.26Å; D34-I36 HydrophobicContact CB-CD1 4.45Å; D34-I36 HydrophobicContact CB-CG1 4.09Å; D34-I36 PolarHBondContact O-N 3.2Å
35	G	94.8	Very high	88.1	Confident	46 Å²	46	62.2 Å²	62.2	47%	0.474	34%	0.34	S	S	.	.	S	Bend	trans	71.3	19	174.8	0	0	0	0	0	113.9	I30 R31	I30-G35 PolarHBondContact O-N 3.49Å; R31-G35 PolarHBondContact NH1-O 2.91Å; R31-G35 WeakPolarHBondContact O-CA 3.37Å; R31-G35 PolarHBondContact O-N 3.42Å
36	I	94.7	Very high	87	Confident	82 Å²	82	67.7 Å²	67.7	42%	0.421	38%	0.375	S	S	.	.			trans	-127.1	164.7	-176.7	64.2	174.8	0	0	0	112.5	I30 R31 D34 L38	I30-I36 HydrophobicContact CG2-CD1 4.35Å; I30-I36 HydrophobicContact CG2-CG1 3.73Å; R31-I36 VanDerWaalsContact CA-O 3.29Å; R31-I36 WeakPolarHBondContact CA-O 3.31Å; R31-I36 PolarHBondContact N-O 2.79Å; D34-I36 VanDerWaalsContact C-N 3.26Å; D34-I36 HydrophobicContact CB-CD1 4.45Å; D34-I36 HydrophobicContact CB-CG1 4.09Å; D34-I36 PolarHBondContact O-N 3.2Å; I36-L38 HydrophobicContact CD1-CD2 3.83Å
37	F	94	Very high	86.2	Confident	49 Å²	49	67 Å²	67	22%	0.215	38%	0.375	C	S	.	.			trans	-128.6	120.6	169.2	178.5	-95.9	0	0	0	109.3	K39 A159 K160	F37-K39 HydrophobicContact CD1-CG 4.11Å; F37-K39 HydrophobicContact CE1-CG 4.36Å; F37-K39 PolarHBondContact O-N 2.91Å; F37-A159 HydrophobicContact CD2-CB 4.2Å; F37-A159 WeakPolarHBondContact CD2-O 3.38Å; F37-A159 HydrophobicContact CE2-CB 4.31Å; F37-K160 HydrophobicContact CD1-CB 4.37Å; F37-K160 HydrophobicContact CD1-CG 4.04Å; F37-K160 HydrophobicContact CD2-CB 4.18Å; F37-K160 HydrophobicContact CE1-CB 4.32Å; F37-K160 HydrophobicContact CE1-CG 3.99Å; F37-K160 HydrophobicContact CE2-CB 4.12Å; F37-K160 HydrophobicContact CG-CB 4.3Å; F37-K160 HydrophobicContact CG-CG 4.41Å; F37-K160 HydrophobicContact CZ-CB 4.19Å; F37-K160 HydrophobicContact CZ-CG 4.31Å
38	L	89.7	Confident	85.6	Confident	84 Å²	84	67.2 Å²	67.2	44%	0.44	37%	0.373	S	S	.	.			trans	-79.1	101.4	-178.6	-58.5	-179.2	0	0	0	110	I30 I36	I30-L38 HydrophobicContact CD1-CD1 3.86Å; I30-L38 HydrophobicContact CD1-CG 4.49Å; I30-L38 HydrophobicContact CG2-CG 4.47Å; I36-L38 HydrophobicContact CD1-CD2 3.83Å
39	K	81.6	Confident	85.1	Confident	186 Å²	186	69.8 Å²	69.8	81%	0.809	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	138.9	174.4	-65.6	-177.5	-178.6	178.4	0	110.3	F37 S41	F37-K39 HydrophobicContact CD1-CG 4.11Å; F37-K39 HydrophobicContact CE1-CG 4.36Å; F37-K39 PolarHBondContact O-N 2.91Å; K39-S41 PolarHBondContact O-N 3.06Å; K39-S41 VanDerWaalsContact O-N 3.11Å
40	G	75.4	Confident	84.8	Confident	64 Å²	64	73.9 Å²	73.9	66%	0.66	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	-10.3	173.7	0	0	0	0	0	116.1	Y42	G40-Y42 PolarHBondContact O-N 3.42Å
41	S	67.1	Low	84.7	Confident	62 Å²	62	75.7 Å²	75.7	43%	0.434	41%	0.409	S	S	.	.			trans	-93.6	83.3	174.6	-169.8	0	0	0	0	110.3	K39 I43	K39-S41 PolarHBondContact O-N 3.06Å; K39-S41 VanDerWaalsContact O-N 3.11Å; S41-I43 VanDerWaalsContact C-N 3.28Å
42	Y	70.1	Confident	84.6	Confident	179 Å²	179	75.6 Å²	75.6	70%	0.702	41%	0.413	S	S	*	.			trans	-97.5	35.1	173.8	-58.1	-77.5	0	0	0	111.7	G40 S44	G40-Y42 PolarHBondContact O-N 3.42Å; Y42-S44 PolarHBondContact O-N 2.8Å
43	I	74.5	Confident	84.6	Confident	141 Å²	141	77.9 Å²	77.9	72%	0.723	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-65.1	122.7	177.1	-56.7	175.5	0	0	0	107.3	S41 T45	S41-I43 VanDerWaalsContact C-N 3.28Å; I43-T45 PolarHBondContact O-N 2.92Å
44	S	80.7	Confident	84.7	Confident	59 Å²	59	77.4 Å²	77.4	41%	0.413	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-63.2	127.7	174.8	-69.6	0	0	0	0	109.2	Y42 V46	Y42-S44 PolarHBondContact O-N 2.8Å; S44-V46 PolarHBondContact O-N 3.09Å; S44-V46 VanDerWaalsContact O-N 3.15Å
45	T	73.1	Confident	84.8	Confident	32 Å²	32	73.7 Å²	73.7	20%	0.196	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-56.6	120.8	173	-49.4	0	0	0	0	109.2	T26 I43 A70	T26-T45 PolarHBondContact OG1-OG1 3.24Å; I43-T45 PolarHBondContact O-N 2.92Å; T45-A70 WeakPolarHBondContact O-CB 3.36Å
46	V	71.4	Confident	84.8	Confident	125 Å²	125	77.1 Å²	77.1	76%	0.758	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-94.7	122.2	174.8	180	0	0	0	0	107.3	S44	S44-V46 PolarHBondContact O-N 3.09Å; S44-V46 VanDerWaalsContact O-N 3.15Å
47	G	76.4	Confident	84.7	Confident	24 Å²	24	73.2 Å²	73.2	25%	0.247	39%	0.388	C	S	.	.	S	Bend	trans	72.5	-132.2	-176.8	0	0	0	0	0	112.5	A70	G47-A70 VanDerWaalsContact O-CB 3.3Å; G47-A70 WeakPolarHBondContact O-CB 3.42Å; G47-A70 PolarHBondContact O-N 3.02Å
48	I	83.3	Confident	84.4	Confident	43 Å²	43	75.8 Å²	75.8	22%	0.221	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.6	-172.7	-66.2	169.2	0	0	0	108.6	W67 D68 T69 Y82	I48-W67 HydrophobicContact CG2-CB 4.47Å; I48-W67 HydrophobicContact CG2-CE3 3.71Å; I48-W67 HydrophobicContact CG2-CZ3 4.43Å; I48-D68 CarbonylContact C-O 3.58Å; I48-D68 VanDerWaalsContact CA-O 3.27Å; I48-D68 WeakPolarHBondContact CA-O 3.23Å; I48-D68 WeakPolarHBondContact CG2-O 3.25Å; I48-T69 HydrophobicContact CD1-CG2 4.46Å; I48-T69 HydrophobicContact CG1-CG2 4.25Å; I48-Y82 HydrophobicContact CD1-CD1 4.21Å; I48-Y82 HydrophobicContact CD1-CD2 3.32Å; I48-Y82 HydrophobicContact CD1-CE1 3.93Å; I48-Y82 HydrophobicContact CD1-CE2 3Å; I48-Y82 HydrophobicContact CD1-CG 3.91Å; I48-Y82 HydrophobicContact CG1-CE2 4.41Å; I48-Y82 HydrophobicContact CG2-CD1 4.42Å; I48-Y82 HydrophobicContact CG2-CE1 4.07Å
49	D	86.6	Confident	84.3	Confident	54 Å²	54	78.2 Å²	78.2	29%	0.289	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144.9	172.2	-169.3	13.8	0	0	0	109.8	K51 W67 D68	D49-K51 IonicContact OD1-NZ 2.7Å; D49-K51 PolarHBondContact OD1-NZ 3.43Å; D49-K51 WeakPolarHBondContact OD2-CE 3.41Å; D49-K51 IonicContact OD2-NZ 3.54Å; D49-K51 PolarHBondContact OD2-NZ 3.1Å; D49-W67 CarbonylContact O-C 3.59Å; D49-W67 WeakPolarHBondContact O-CA 3.5Å; D49-D68 HydrophobicContact CB-CB 4.36Å; D49-D68 PolarHBondContact N-O 3.46Å; D49-D68 PolarHBondContact O-N 3.07Å
50	Y	90.1	Very high	84.8	Confident	90 Å²	90	73.1 Å²	73.1	35%	0.353	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.8	179.7	168.7	-102	0	0	0	109.7	T52 Q65 W67	Y50-T52 VanDerWaalsContact CZ-OG1 3.31Å; Y50-T52 PolarHBondContact OH-OG1 3.33Å; Y50-Q65 HydrophobicContact CE2-CB 3.9Å; Y50-Q65 HydrophobicContact CE2-CG 4.06Å; Y50-Q65 WeakPolarHBondContact OH-CG 3.07Å; Y50-Q65 PolarHBondContact OH-NE2 3.02Å; Y50-W67 AromaticContact CD2-CD2 3.78Å; Y50-W67 HydrophobicContact CD2-CD2 3.78Å; Y50-W67 AromaticContact CD2-CE2 3.51Å; Y50-W67 HydrophobicContact CD2-CE3 4.07Å; Y50-W67 HydrophobicContact CD2-CG 4.36Å; Y50-W67 AromaticContact CD2-CH2 3.98Å; Y50-W67 HydrophobicContact CD2-CH2 3.98Å; Y50-W67 AromaticContact CD2-CZ2 3.66Å; Y50-W67 HydrophobicContact CD2-CZ2 3.66Å; Y50-W67 HydrophobicContact CD2-CZ3 4.15Å; Y50-W67 AromaticContact CD2-NE1 3.87Å; Y50-W67 AromaticContact CE2-CE2 3.92Å; Y50-W67 AromaticContact CE2-CZ2 3.94Å; Y50-W67 HydrophobicContact CE2-CZ2 3.94Å; Y50-W67 AromaticContact CE2-NE1 3.98Å; Y50-W67 HydrophobicContact CG-CE3 4.44Å; Y50-W67 HydrophobicContact CG-CH2 4.31Å; Y50-W67 HydrophobicContact CG-CZ2 4.42Å; Y50-W67 HydrophobicContact CG-CZ3 4.29Å
51	K	93	Very high	85.8	Confident	73 Å²	73	74.9 Å²	74.9	32%	0.317	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.2	175.5	-63.6	-69.4	-177.6	-90	0	110.2	L29 D49 I66	L29-K51 HydrophobicContact CD1-CB 4.05Å; L29-K51 HydrophobicContact CD1-CG 4.43Å; L29-K51 HydrophobicContact CD2-CB 4.01Å; L29-K51 HydrophobicContact CD2-CG 3.75Å; L29-K51 HydrophobicContact CG-CB 4.3Å; L29-K51 HydrophobicContact CG-CG 4.14Å; D49-K51 IonicContact OD1-NZ 2.7Å; D49-K51 PolarHBondContact OD1-NZ 3.43Å; D49-K51 WeakPolarHBondContact OD2-CE 3.41Å; D49-K51 IonicContact OD2-NZ 3.54Å; D49-K51 PolarHBondContact OD2-NZ 3.1Å; K51-I66 PolarHBondContact N-O 3.49Å; K51-I66 PolarHBondContact O-N 3.09Å
52	T	95	Very high	87.2	Confident	40 Å²	40	71.9 Å²	71.9	25%	0.245	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.2	174.5	-68.5	0	0	0	0	109.7	Y50 R63 L64	Y50-T52 VanDerWaalsContact CZ-OG1 3.31Å; Y50-T52 PolarHBondContact OH-OG1 3.33Å; T52-R63 HydrophobicContact CG2-CG 3.39Å; T52-L64 CarbonylContact C-O 3.43Å; T52-L64 VanDerWaalsContact CA-O 3.25Å; T52-L64 WeakPolarHBondContact CA-O 3.44Å
53	K	96.3	Very high	88.5	Confident	50 Å²	50	68 Å²	68	22%	0.217	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	131.5	170.5	-177.8	160.5	169.2	172.1	0	109.8	F32 K33 V55 L64	F32-K53 HydrophobicContact CD1-CD 4.12Å; F32-K53 HydrophobicContact CE1-CB 4.03Å; F32-K53 HydrophobicContact CE1-CD 3.73Å; F32-K53 HydrophobicContact CE1-CG 4.15Å; F32-K53 HydrophobicContact CE2-CD 4.17Å; F32-K53 HydrophobicContact CZ-CD 3.76Å; F32-K53 HydrophobicContact CZ-CG 4.23Å; F32-K53 PolarHBondContact O-NZ 3.35Å; K33-K53 HydrophobicContact CD-CB 4Å; K33-K53 HydrophobicContact CD-CD 4.23Å; K33-K53 HydrophobicContact CD-CG 4.45Å; K53-V55 HydrophobicContact CG-CG1 4.16Å; K53-L64 PolarHBondContact N-O 3.2Å; K53-L64 PolarHBondContact O-N 3.14Å
54	T	96.8	Very high	89.7	Confident	58 Å²	58	61.2 Å²	61.2	36%	0.356	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.4	169.9	-56.6	0	0	0	0	108.6	L10 L61 V62	L10-T54 HydrophobicContact CD1-CG2 4.43Å; L10-T54 HydrophobicContact CD2-CG2 4.16Å; T54-L61 HydrophobicContact CG2-CB 3.97Å; T54-L61 HydrophobicContact CG2-CD2 4.25Å; T54-L61 HydrophobicContact CG2-CG 4.49Å; T54-V62 CarbonylContact C-O 3.57Å; T54-V62 VanDerWaalsContact CA-O 3.28Å; T54-V62 WeakPolarHBondContact CA-O 3.18Å
55	V	96.5	Very high	90.4	Very high	7 Å²	7	61.2 Å²	61.2	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	162.2	175.9	-64.7	0	0	0	0	110.4	F32 K53 L61 V62 L64 A173	F32-V55 HydrophobicContact CE2-CG1 4.25Å; F32-V55 HydrophobicContact CZ-CG1 3.65Å; K53-V55 HydrophobicContact CG-CG1 4.16Å; V55-L61 CarbonylContact O-C 3.55Å; V55-L61 WeakPolarHBondContact O-CA 3.26Å; V55-V62 PolarHBondContact N-O 3.24Å; V55-V62 PolarHBondContact O-N 2.97Å; V55-L64 HydrophobicContact CG2-CD1 4Å; V55-L64 HydrophobicContact CG2-CG 4.15Å; V55-A173 HydrophobicContact CG2-CB 3.65Å
56	K	94.8	Very high	91.5	Very high	117 Å²	117	59.7 Å²	59.7	51%	0.509	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.7	172.7	-170.4	-179.2	176.7	-169.5	0	108.9	D59 Q60 L61	K56-D59 WeakPolarHBondContact CE-OD1 3.48Å; K56-D59 IonicContact NZ-OD1 3.37Å; K56-D59 PolarHBondContact NZ-OD1 2.81Å; K56-Q60 CarbonylContact C-O 3.6Å; K56-Q60 WeakPolarHBondContact CA-O 3.16Å; K56-L61 HydrophobicContact CB-CD2 4.3Å
57	A	93	Very high	92.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	120.7	177.6	0	0	0	0	0	109.1	D59 Q60 V62 A173 E174 L177	A57-D59 VanDerWaalsContact C-N 3.29Å; A57-D59 PolarHBondContact O-N 3.01Å; A57-Q60 PolarHBondContact N-O 3.02Å; A57-Q60 PolarHBondContact O-N 2.86Å; A57-Q60 VanDerWaalsContact O-O 3.11Å; A57-V62 HydrophobicContact CB-CG2 4.11Å; A57-A173 HydrophobicContact CB-CB 3.99Å; A57-E174 HydrophobicContact CB-CB 4.48Å; A57-E174 HydrophobicContact CB-CG 3.68Å; A57-L177 HydrophobicContact CB-CD2 4.38Å; A57-L177 WeakPolarHBondContact O-CD2 3.5Å
58	N	87.6	Confident	93.3	Very high	102 Å²	102	55.5 Å²	55.5	55%	0.545	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	48.7	-176.1	-61.4	-25.7	0	0	0	113.6	Q60 L177	N58-Q60 PolarHBondContact O-N 3.32Å; N58-L177 HydrophobicContact CB-CD2 4.48Å
59	D	87	Confident	93.4	Very high	136 Å²	136	53.5 Å²	53.5	73%	0.727	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	1	-176.5	-63.9	-48.4	0	0	0	117.6	K56 A57	K56-D59 WeakPolarHBondContact CE-OD1 3.48Å; K56-D59 IonicContact NZ-OD1 3.37Å; K56-D59 PolarHBondContact NZ-OD1 2.81Å; A57-D59 VanDerWaalsContact C-N 3.29Å; A57-D59 PolarHBondContact O-N 3.01Å
60	Q	92.6	Very high	93.1	Very high	78 Å²	78	51 Å²	51	36%	0.364	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	141	172.4	-168.4	169.5	5.3	0	0	111.1	P11 K56 A57 N58 L177	P11-Q60 VanDerWaalsContact CD-NE2 3.31Å; K56-Q60 CarbonylContact C-O 3.6Å; K56-Q60 WeakPolarHBondContact CA-O 3.16Å; A57-Q60 PolarHBondContact N-O 3.02Å; A57-Q60 PolarHBondContact O-N 2.86Å; A57-Q60 VanDerWaalsContact O-O 3.11Å; N58-Q60 PolarHBondContact O-N 3.32Å; Q60-L177 HydrophobicContact CB-CD2 3.96Å
61	L	96.2	Very high	92	Very high	101 Å²	101	47.3 Å²	47.3	53%	0.529	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138.9	166.5	-65.7	178.5	0	0	0	109.5	L10 T54 V55 K56	L10-L61 HydrophobicContact CD1-CB 3.36Å; L10-L61 WeakPolarHBondContact CD1-O 3.37Å; T54-L61 HydrophobicContact CG2-CB 3.97Å; T54-L61 HydrophobicContact CG2-CD2 4.25Å; T54-L61 HydrophobicContact CG2-CG 4.49Å; V55-L61 CarbonylContact O-C 3.55Å; V55-L61 WeakPolarHBondContact O-CA 3.26Å; K56-L61 HydrophobicContact CB-CD2 4.3Å
62	V	96.6	Very high	90.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135	178.7	175.3	0	0	0	0	108.6	P11 F13 T54 V55 A57 L64 L177	P11-V62 HydrophobicContact CB-CG2 4.49Å; P11-V62 WeakPolarHBondContact O-CA 3.39Å; F13-V62 HydrophobicContact CD2-CG1 3.31Å; F13-V62 HydrophobicContact CE2-CG1 3.5Å; F13-V62 VanDerWaalsContact CE2-CG1 3.5Å; F13-V62 HydrophobicContact CE2-CG2 4.48Å; T54-V62 CarbonylContact C-O 3.57Å; T54-V62 VanDerWaalsContact CA-O 3.28Å; T54-V62 WeakPolarHBondContact CA-O 3.18Å; V55-V62 PolarHBondContact N-O 3.24Å; V55-V62 PolarHBondContact O-N 2.97Å; A57-V62 HydrophobicContact CB-CG2 4.11Å; V62-L64 HydrophobicContact CG1-CD2 4.11Å; V62-L177 HydrophobicContact CG2-CD1 4.27Å; V62-L177 HydrophobicContact CG2-CD2 4.18Å
63	R	97.7	Very high	89.3	Confident	96 Å²	96	53.2 Å²	53.2	36%	0.362	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.2	176.1	-172.8	-177.1	-60.5	-86.8	-0.3	110	L10 P11 T12 F13 T52	L10-R63 HydrophobicContact CD2-CB 3.77Å; L10-R63 HydrophobicContact CG-CB 4.16Å; P11-R63 PolarHBondContact O-N 3.1Å; T12-R63 CarbonylContact C-O 3.59Å; T12-R63 VanDerWaalsContact CA-O 3.28Å; T12-R63 WeakPolarHBondContact CA-O 3.3Å; T12-R63 HydrophobicContact CG2-CB 4.2Å; T12-R63 HydrophobicContact CG2-CG 4.22Å; F13-R63 PolarHBondContact N-O 3.33Å; T52-R63 HydrophobicContact CG2-CG 3.39Å
64	L	98.1	Very high	87.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.2	171	-55.6	-177.6	0	0	0	109.3	F13 L15 F32 T52 K53 V55 V62 I66 F169 A173	F13-L64 HydrophobicContact CB-CD2 4.28Å; F13-L64 HydrophobicContact CD2-CD2 4.46Å; L15-L64 HydrophobicContact CD1-CD2 3.93Å; L15-L64 HydrophobicContact CD2-CB 4.47Å; L15-L64 HydrophobicContact CD2-CD1 4.19Å; L15-L64 HydrophobicContact CD2-CD2 4.41Å; F32-L64 HydrophobicContact CE1-CD1 4.22Å; F32-L64 HydrophobicContact CZ-CD1 4.17Å; T52-L64 CarbonylContact C-O 3.43Å; T52-L64 VanDerWaalsContact CA-O 3.25Å; T52-L64 WeakPolarHBondContact CA-O 3.44Å; K53-L64 PolarHBondContact N-O 3.2Å; K53-L64 PolarHBondContact O-N 3.14Å; V55-L64 HydrophobicContact CG2-CD1 4Å; V55-L64 HydrophobicContact CG2-CG 4.15Å; V62-L64 HydrophobicContact CG1-CD2 4.11Å; L64-I66 HydrophobicContact CB-CD1 4.36Å; L64-I66 HydrophobicContact CB-CG1 4.16Å; L64-F169 HydrophobicContact CD1-CD1 4.26Å; L64-A173 HydrophobicContact CD1-CB 4.44Å; L64-A173 HydrophobicContact CD2-CB 4.2Å
65	Q	97.1	Very high	86.4	Confident	58 Å²	58	58.3 Å²	58.3	27%	0.271	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	105.2	172.4	-76.3	-175.7	-24.6	0	0	108.4	T12 F13 K14 L15 Y50	T12-Q65 VanDerWaalsContact CG2-CD 3.43Å; T12-Q65 HydrophobicContact CG2-CG 3.68Å; F13-Q65 PolarHBondContact O-N 3.38Å; K14-Q65 CarbonylContact C-O 3.54Å; K14-Q65 WeakPolarHBondContact CA-O 3.33Å; L15-Q65 PolarHBondContact N-O 3.01Å; Y50-Q65 HydrophobicContact CE2-CB 3.9Å; Y50-Q65 HydrophobicContact CE2-CG 4.06Å; Y50-Q65 WeakPolarHBondContact OH-CG 3.07Å; Y50-Q65 PolarHBondContact OH-NE2 3.02Å
66	I	96.5	Very high	84.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.1	-169.4	-50.3	173.6	0	0	0	109.2	L15 L17 L29 F32 K51 L64 F169	L15-I66 HydrophobicContact CB-CG1 4.21Å; L15-I66 HydrophobicContact CB-CG2 4.41Å; L15-I66 HydrophobicContact CD2-CG1 4.27Å; L15-I66 WeakPolarHBondContact O-CA 3.47Å; L17-I66 HydrophobicContact CD1-CG2 3.28Å; L17-I66 HydrophobicContact CD2-CG2 4.33Å; L17-I66 HydrophobicContact CG-CG2 4.41Å; L29-I66 HydrophobicContact CD1-CB 3.88Å; L29-I66 HydrophobicContact CD1-CD1 3.72Å; L29-I66 HydrophobicContact CD1-CG1 4.39Å; L29-I66 HydrophobicContact CD1-CG2 3.78Å; L29-I66 HydrophobicContact CD2-CG2 4.27Å; F32-I66 HydrophobicContact CD1-CD1 3.79Å; F32-I66 HydrophobicContact CE1-CD1 3.77Å; K51-I66 PolarHBondContact N-O 3.49Å; K51-I66 PolarHBondContact O-N 3.09Å; L64-I66 HydrophobicContact CB-CD1 4.36Å; L64-I66 HydrophobicContact CB-CG1 4.16Å; I66-F169 HydrophobicContact CD1-CD1 4.31Å; I66-F169 HydrophobicContact CD1-CE1 3.79Å; I66-F169 HydrophobicContact CD1-CZ 4.35Å
67	W	93.8	Very high	83.6	Confident	60 Å²	60	58.5 Å²	58.5	23%	0.227	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	108.7	176.6	-62.7	84	0	0	0	108.7	L15 L16 L17 I48 D49 Y50 Y82	L15-W67 PolarHBondContact O-N 3.09Å; L16-W67 HydrophobicContact CD1-CB 3.74Å; L17-W67 PolarHBondContact N-O 3.31Å; I48-W67 HydrophobicContact CG2-CB 4.47Å; I48-W67 HydrophobicContact CG2-CE3 3.71Å; I48-W67 HydrophobicContact CG2-CZ3 4.43Å; D49-W67 CarbonylContact O-C 3.59Å; D49-W67 WeakPolarHBondContact O-CA 3.5Å; Y50-W67 AromaticContact CD2-CD2 3.78Å; Y50-W67 HydrophobicContact CD2-CD2 3.78Å; Y50-W67 AromaticContact CD2-CE2 3.51Å; Y50-W67 HydrophobicContact CD2-CE3 4.07Å; Y50-W67 HydrophobicContact CD2-CG 4.36Å; Y50-W67 AromaticContact CD2-CH2 3.98Å; Y50-W67 HydrophobicContact CD2-CH2 3.98Å; Y50-W67 AromaticContact CD2-CZ2 3.66Å; Y50-W67 HydrophobicContact CD2-CZ2 3.66Å; Y50-W67 HydrophobicContact CD2-CZ3 4.15Å; Y50-W67 AromaticContact CD2-NE1 3.87Å; Y50-W67 AromaticContact CE2-CE2 3.92Å; Y50-W67 AromaticContact CE2-CZ2 3.94Å; Y50-W67 HydrophobicContact CE2-CZ2 3.94Å; Y50-W67 AromaticContact CE2-NE1 3.98Å; Y50-W67 HydrophobicContact CG-CE3 4.44Å; Y50-W67 HydrophobicContact CG-CH2 4.31Å; Y50-W67 HydrophobicContact CG-CZ2 4.42Å; Y50-W67 HydrophobicContact CG-CZ3 4.29Å; W67-Y82 AromaticContact CD2-CD1 3.92Å; W67-Y82 HydrophobicContact CD2-CD1 3.92Å; W67-Y82 HydrophobicContact CD2-CE1 4.23Å; W67-Y82 AromaticContact CE3-CD1 3.59Å; W67-Y82 HydrophobicContact CE3-CD1 3.59Å; W67-Y82 AromaticContact CE3-CE1 3.46Å; W67-Y82 HydrophobicContact CE3-CE1 3.46Å; W67-Y82 VanDerWaalsContact CE3-CE1 3.46Å; W67-Y82 HydrophobicContact CG-CD1 4.48Å; W67-Y82 HydrophobicContact CH2-CE1 4.13Å; W67-Y82 AromaticContact CZ3-CD1 3.96Å; W67-Y82 HydrophobicContact CZ3-CD1 3.96Å; W67-Y82 AromaticContact CZ3-CE1 3.42Å; W67-Y82 HydrophobicContact CZ3-CE1 3.42Å; W67-Y82 VanDerWaalsContact CZ3-CE1 3.42Å
68	D	91.4	Very high	82.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.4	173.3	178.6	40.3	0	0	0	109.7	K25 T26 L29 I48 D49	K25-D68 WeakPolarHBondContact CB-OD1 3.43Å; T26-D68 VanDerWaalsContact CA-OD2 3.3Å; T26-D68 WeakPolarHBondContact CA-OD2 3.43Å; T26-D68 VanDerWaalsContact CB-OD2 3.23Å; T26-D68 WeakPolarHBondContact CB-OD2 3.35Å; T26-D68 WeakPolarHBondContact CG2-OD2 3.49Å; T26-D68 PolarHBondContact OG1-OD2 3.22Å; L29-D68 HydrophobicContact CD2-CB 3.65Å; I48-D68 CarbonylContact C-O 3.58Å; I48-D68 VanDerWaalsContact CA-O 3.27Å; I48-D68 WeakPolarHBondContact CA-O 3.23Å; I48-D68 WeakPolarHBondContact CG2-O 3.25Å; D49-D68 HydrophobicContact CB-CB 4.36Å; D49-D68 PolarHBondContact N-O 3.46Å; D49-D68 PolarHBondContact O-N 3.07Å
69	T	85.3	Confident	81.3	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.6	-174.8	65.6	0	0	0	0	111.7	L16 L17 I18 K25 I48 G71 T79	L16-T69 HydrophobicContact CD1-CG2 3.55Å; L16-T69 HydrophobicContact CG-CG2 4.47Å; L17-T69 WeakPolarHBondContact O-CB 3.48Å; L17-T69 WeakPolarHBondContact O-CG2 3.45Å; L17-T69 PolarHBondContact O-N 2.96Å; L17-T69 PolarHBondContact O-OG1 3.28Å; I18-T69 HydrophobicContact CG2-CG2 4.28Å; K25-T69 WeakPolarHBondContact CE-O 3.41Å; I48-T69 HydrophobicContact CD1-CG2 4.46Å; I48-T69 HydrophobicContact CG1-CG2 4.25Å; T69-G71 PolarHBondContact O-N 3.42Å; T69-T79 HydrophobicContact CG2-CG2 4.25Å
70	A	78.8	Confident	80.5	Confident	3 Å²	3	57.6 Å²	57.6	3%	0.025	27%	0.273	C	S	.	.			trans	-59.5	129.6	166	0	0	0	0	0	110.2	T45 G47 Q72 F75	T45-A70 WeakPolarHBondContact O-CB 3.36Å; G47-A70 VanDerWaalsContact O-CB 3.3Å; G47-A70 WeakPolarHBondContact O-CB 3.42Å; G47-A70 PolarHBondContact O-N 3.02Å; A70-Q72 PolarHBondContact O-N 2.95Å; A70-F75 HydrophobicContact CB-CB 4.17Å; A70-F75 HydrophobicContact CB-CD2 3.72Å; A70-F75 HydrophobicContact CB-CG 4.32Å
71	G	68.2	Low	79.8	Confident	12 Å²	12	57 Å²	57	12%	0.124	28%	0.278	C	S	.	.			trans	-80.2	1.1	177.3	0	0	0	0	0	114.8	G19 S21 T69	G19-G71 WeakPolarHBondContact O-CA 3.29Å; S21-G71 PolarHBondContact N-O 3.21Å; S21-G71 VanDerWaalsContact N-O 3.15Å; S21-G71 PolarHBondContact OG-O 2.83Å; S21-G71 VanDerWaalsContact OG-O 3.11Å; T69-G71 PolarHBondContact O-N 3.42Å
72	Q	69.5	Low	79.2	Confident	80 Å²	80	55.1 Å²	55.1	37%	0.374	26%	0.264	S	S	.	.			trans	-77.8	129.1	-178.6	-66.7	-77.6	23.4	0	0	109.4	S21 A70 K74 F75	S21-Q72 WeakPolarHBondContact OG-CA 3.46Å; S21-Q72 WeakPolarHBondContact OG-CG 3.3Å; S21-Q72 PolarHBondContact OG-N 3.4Å; S21-Q72 VanDerWaalsContact OG-N 3.13Å; S21-Q72 PolarHBondContact OG-OE1 2.81Å; A70-Q72 PolarHBondContact O-N 2.95Å; Q72-K74 HydrophobicContact CB-CG 4.27Å; Q72-K74 PolarHBondContact O-N 3.33Å; Q72-F75 HydrophobicContact CB-CD2 3.7Å; Q72-F75 HydrophobicContact CB-CE2 4.15Å; Q72-F75 HydrophobicContact CG-CD2 4.36Å; Q72-F75 HydrophobicContact CG-CE2 4.43Å; Q72-F75 PolarHBondContact O-N 3.3Å
73	E	62.3	Low	78.6	Confident	156 Å²	156	55.3 Å²	55.3	73%	0.729	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-55.4	-38	-177.1	-164.5	-146.1	-172.2	0	0	112.8	F75 R76	E73-F75 PolarHBondContact O-N 3.15Å; E73-R76 WeakPolarHBondContact O-CB 3.42Å; E73-R76 PolarHBondContact O-N 2.85Å
74	K	65.4	Low	78	Confident	159 Å²	159	58.6 Å²	58.6	69%	0.691	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-60.3	-18.1	176.8	67.4	179.1	179.1	-179.8	0	114.5	Q72	Q72-K74 HydrophobicContact CB-CG 4.27Å; Q72-K74 PolarHBondContact O-N 3.33Å
75	F	65.4	Low	77.4	Confident	56 Å²	56	63.6 Å²	63.6	25%	0.246	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-99.9	0.1	175.8	-60.1	-49.9	0	0	0	113	A70 Q72 E73 S77 L78	A70-F75 HydrophobicContact CB-CB 4.17Å; A70-F75 HydrophobicContact CB-CD2 3.72Å; A70-F75 HydrophobicContact CB-CG 4.32Å; Q72-F75 HydrophobicContact CB-CD2 3.7Å; Q72-F75 HydrophobicContact CB-CE2 4.15Å; Q72-F75 HydrophobicContact CG-CD2 4.36Å; Q72-F75 HydrophobicContact CG-CE2 4.43Å; Q72-F75 PolarHBondContact O-N 3.3Å; E73-F75 PolarHBondContact O-N 3.15Å; F75-S77 PolarHBondContact O-N 3.47Å; F75-L78 HydrophobicContact CB-CD1 3.92Å; F75-L78 HydrophobicContact CD1-CD1 3.64Å; F75-L78 HydrophobicContact CG-CD1 4.15Å; F75-L78 VanDerWaalsContact O-CB 3.27Å; F75-L78 WeakPolarHBondContact O-CB 3.3Å; F75-L78 PolarHBondContact O-N 3.29Å
76	R	66.1	Low	77.2	Confident	45 Å²	45	61 Å²	61	17%	0.17	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-60	-30.2	-178.2	-166.6	170.4	175.1	125	19.5	112.9	E73 L78 T79 S106 W107 E110	E73-R76 WeakPolarHBondContact O-CB 3.42Å; E73-R76 PolarHBondContact O-N 2.85Å; R76-L78 VanDerWaalsContact C-N 3.3Å; R76-L78 PolarHBondContact O-N 2.87Å; R76-T79 WeakPolarHBondContact O-CB 3.39Å; R76-T79 PolarHBondContact O-N 2.74Å; R76-T79 PolarHBondContact O-OG1 3.21Å; R76-S106 PolarHBondContact NH1-OG 3.42Å; R76-S106 PolarHBondContact NH2-O 3.38Å; R76-S106 PolarHBondContact NH2-OG 3.21Å; R76-W107 HydrophobicContact CG-CH2 4.26Å; R76-W107 HydrophobicContact CG-CZ3 4.1Å; R76-E110 WeakPolarHBondContact CD-OE2 3.27Å; R76-E110 WeakPolarHBondContact CG-OE2 3.18Å; R76-E110 IonicContact CZ-OE2 3.53Å; R76-E110 IonicContact NE-OE2 3.45Å; R76-E110 PolarHBondContact NE-OE2 2.81Å; R76-E110 IonicContact NH2-OE2 2.76Å; R76-E110 PolarHBondContact NH2-OE2 2.81Å
77	S	66.2	Low	77.1	Confident	83 Å²	83	63.6 Å²	63.6	58%	0.58	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-66.6	-28.1	173.5	59.5	0	0	0	0	113.6	F75 T79	F75-S77 PolarHBondContact O-N 3.47Å; S77-T79 PolarHBondContact O-N 3.29Å
78	L	65.8	Low	77.3	Confident	86 Å²	86	60.8 Å²	60.8	45%	0.45	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-67.9	-27.2	176	-71.4	151.8	0	0	0	111.3	F75 R76 K80 S81 Y82	F75-L78 HydrophobicContact CB-CD1 3.92Å; F75-L78 HydrophobicContact CD1-CD1 3.64Å; F75-L78 HydrophobicContact CG-CD1 4.15Å; F75-L78 VanDerWaalsContact O-CB 3.27Å; F75-L78 WeakPolarHBondContact O-CB 3.3Å; F75-L78 PolarHBondContact O-N 3.29Å; R76-L78 VanDerWaalsContact C-N 3.3Å; R76-L78 PolarHBondContact O-N 2.87Å; L78-K80 VanDerWaalsContact C-N 3.26Å; L78-K80 PolarHBondContact O-N 2.81Å; L78-S81 PolarHBondContact O-OG 2.8Å; L78-Y82 WeakPolarHBondContact O-CD2 3.43Å; L78-Y82 VanDerWaalsContact O-CE2 3.3Å; L78-Y82 WeakPolarHBondContact O-CE2 2.96Å
79	T	66.5	Low	77.5	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.018	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-68.1	-23	-177	-45	0	0	0	0	113	L16 I18 T69 R76 S77 S81 Y82 Y83	L16-T79 HydrophobicContact CD2-CG2 4.09Å; I18-T79 HydrophobicContact CG2-CG2 4.07Å; T69-T79 HydrophobicContact CG2-CG2 4.25Å; R76-T79 WeakPolarHBondContact O-CB 3.39Å; R76-T79 PolarHBondContact O-N 2.74Å; R76-T79 PolarHBondContact O-OG1 3.21Å; S77-T79 PolarHBondContact O-N 3.29Å; T79-S81 VanDerWaalsContact C-N 3.34Å; T79-S81 PolarHBondContact O-N 2.73Å; T79-Y82 WeakPolarHBondContact O-CA 3.19Å; T79-Y82 WeakPolarHBondContact O-CB 3.43Å; T79-Y82 PolarHBondContact O-N 2.64Å; T79-Y83 HydrophobicContact CG2-CD2 4.25Å; T79-Y83 HydrophobicContact CG2-CE2 3.55Å; T79-Y83 VanDerWaalsContact O-CD2 3.3Å; T79-Y83 WeakPolarHBondContact O-CD2 3.07Å; T79-Y83 PolarHBondContact O-N 3.08Å
80	K	71.7	Confident	78.1	Confident	131 Å²	131	60.8 Å²	60.8	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-53.2	-45.3	-174.2	-68.2	-168.2	177.8	-179.4	0	113.5	L78 Y82 Y83 N114	L78-K80 VanDerWaalsContact C-N 3.26Å; L78-K80 PolarHBondContact O-N 2.81Å; K80-Y82 PolarHBondContact O-N 3.2Å; K80-Y83 PolarHBondContact O-N 2.68Å; K80-N114 WeakPolarHBondContact CG-OD1 3.28Å
81	S	77.5	Confident	78.9	Confident	66 Å²	66	60.6 Å²	60.6	46%	0.462	29%	0.294	S	S	.	.	H	α-helix	trans	-67.4	-21.9	178.9	50.5	0	0	0	0	113.5	L78 T79	L78-S81 PolarHBondContact O-OG 2.8Å; T79-S81 VanDerWaalsContact C-N 3.34Å; T79-S81 PolarHBondContact O-N 2.73Å
82	Y	82.8	Confident	80.3	Confident	62 Å²	62	60.1 Å²	60.1	24%	0.243	29%	0.289	C	S	.	.	H	α-helix	trans	-85.8	-21.3	-175.9	-63.5	-90.3	0	0	0	112.7	K14 I48 W67 L78 T79 K80 R84 T86	K14-Y82 WeakPolarHBondContact CE-O 3.46Å; K14-Y82 PolarHBondContact NZ-O 3.17Å; I48-Y82 HydrophobicContact CD1-CD1 4.21Å; I48-Y82 HydrophobicContact CD1-CD2 3.32Å; I48-Y82 HydrophobicContact CD1-CE1 3.93Å; I48-Y82 HydrophobicContact CD1-CE2 3Å; I48-Y82 HydrophobicContact CD1-CG 3.91Å; I48-Y82 HydrophobicContact CG1-CE2 4.41Å; I48-Y82 HydrophobicContact CG2-CD1 4.42Å; I48-Y82 HydrophobicContact CG2-CE1 4.07Å; W67-Y82 AromaticContact CD2-CD1 3.92Å; W67-Y82 HydrophobicContact CD2-CD1 3.92Å; W67-Y82 HydrophobicContact CD2-CE1 4.23Å; W67-Y82 AromaticContact CE3-CD1 3.59Å; W67-Y82 HydrophobicContact CE3-CD1 3.59Å; W67-Y82 AromaticContact CE3-CE1 3.46Å; W67-Y82 HydrophobicContact CE3-CE1 3.46Å; W67-Y82 VanDerWaalsContact CE3-CE1 3.46Å; W67-Y82 HydrophobicContact CG-CD1 4.48Å; W67-Y82 HydrophobicContact CH2-CE1 4.13Å; W67-Y82 AromaticContact CZ3-CD1 3.96Å; W67-Y82 HydrophobicContact CZ3-CD1 3.96Å; W67-Y82 AromaticContact CZ3-CE1 3.42Å; W67-Y82 HydrophobicContact CZ3-CE1 3.42Å; W67-Y82 VanDerWaalsContact CZ3-CE1 3.42Å; L78-Y82 WeakPolarHBondContact O-CD2 3.43Å; L78-Y82 VanDerWaalsContact O-CE2 3.3Å; L78-Y82 WeakPolarHBondContact O-CE2 2.96Å; T79-Y82 WeakPolarHBondContact O-CA 3.19Å; T79-Y82 WeakPolarHBondContact O-CB 3.43Å; T79-Y82 PolarHBondContact O-N 2.64Å; K80-Y82 PolarHBondContact O-N 3.2Å; Y82-R84 PolarHBondContact O-N 3.12Å; Y82-T86 PolarHBondContact O-OG1 3.39Å
83	Y	84	Confident	81.7	Confident	3 Å²	3	56.3 Å²	56.3	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-29.9	171.8	-72.6	-75.5	0	0	0	112.9	L16 T79 K80 D85 T86 E110 I111 N114 I115	L16-Y83 HydrophobicContact CD2-CD1 3.87Å; L16-Y83 HydrophobicContact CD2-CE1 3.81Å; L16-Y83 HydrophobicContact CD2-CG 4.31Å; T79-Y83 HydrophobicContact CG2-CD2 4.25Å; T79-Y83 HydrophobicContact CG2-CE2 3.55Å; T79-Y83 VanDerWaalsContact O-CD2 3.3Å; T79-Y83 WeakPolarHBondContact O-CD2 3.07Å; T79-Y83 PolarHBondContact O-N 3.08Å; K80-Y83 PolarHBondContact O-N 2.68Å; Y83-D85 PolarHBondContact O-N 2.85Å; Y83-T86 WeakPolarHBondContact O-CB 3.4Å; Y83-T86 PolarHBondContact O-N 3.31Å; Y83-T86 VanDerWaalsContact O-N 3.12Å; Y83-T86 PolarHBondContact O-OG1 3.19Å; Y83-E110 HydrophobicContact CE2-CG 3.93Å; Y83-E110 WeakPolarHBondContact CE2-OE1 3.48Å; Y83-E110 WeakPolarHBondContact OH-CG 3.42Å; Y83-E110 PolarHBondContact OH-OE1 2.85Å; Y83-I111 HydrophobicContact CE1-CB 4.42Å; Y83-I111 HydrophobicContact CE1-CG1 3.97Å; Y83-N114 HydrophobicContact CD1-CB 4.44Å; Y83-N114 HydrophobicContact CD2-CB 3.49Å; Y83-N114 VanDerWaalsContact CD2-CB 3.49Å; Y83-N114 HydrophobicContact CE2-CB 4.12Å; Y83-N114 HydrophobicContact CG-CB 3.67Å; Y83-I115 HydrophobicContact CD1-CD1 4.18Å; Y83-I115 HydrophobicContact CD1-CG1 4Å; Y83-I115 HydrophobicContact CG-CG1 4.48Å
84	R	85	Confident	83.4	Confident	165 Å²	165	49 Å²	49	62%	0.623	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	131.7	176.9	-166.9	-173.9	-69	119.6	0.1	110.5	K14 Y82 T86	K14-R84 PolarHBondContact NZ-O 2.8Å; Y82-R84 PolarHBondContact O-N 3.12Å; R84-T86 PolarHBondContact O-N 3.44Å; R84-T86 VanDerWaalsContact O-N 3.08Å
85	D	86.7	Confident	85	Confident	105 Å²	105	41.4 Å²	41.4	56%	0.561	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	15.8	178.8	-45.9	-42.4	0	0	0	115.1	Y83 N87	Y83-D85 PolarHBondContact O-N 2.85Å; D85-N87 PolarHBondContact O-N 3.15Å
86	T	92.7	Very high	86.6	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.031	20%	0.2	C	C	.	.			trans	-71.8	128.7	176.1	-64.1	0	0	0	0	110.2	L16 Y82 Y83 R84 A88 V89 I121	L16-T86 HydrophobicContact CB-CG2 3.81Å; Y82-T86 PolarHBondContact O-OG1 3.39Å; Y83-T86 WeakPolarHBondContact O-CB 3.4Å; Y83-T86 PolarHBondContact O-N 3.31Å; Y83-T86 VanDerWaalsContact O-N 3.12Å; Y83-T86 PolarHBondContact O-OG1 3.19Å; R84-T86 PolarHBondContact O-N 3.44Å; R84-T86 VanDerWaalsContact O-N 3.08Å; T86-A88 WeakPolarHBondContact CG2-O 3.42Å; T86-V89 HydrophobicContact CG2-CG2 3.98Å; T86-I121 HydrophobicContact CG2-CD1 3.71Å
87	N	95	Very high	88.1	Confident	55 Å²	55	42.4 Å²	42.4	29%	0.294	21%	0.212	S	C	.	.	S	Bend	trans	-91.5	-31.7	178.3	-53.6	119.5	0	0	0	112.1	F13 K14 D85 L122 L176	F13-N87 VanDerWaalsContact CA-OD1 3.25Å; F13-N87 WeakPolarHBondContact CA-OD1 3.47Å; F13-N87 HydrophobicContact CB-CB 4.27Å; F13-N87 HydrophobicContact CD1-CB 4.21Å; K14-N87 PolarHBondContact N-OD1 3.13Å; K14-N87 PolarHBondContact O-N 2.8Å; D85-N87 PolarHBondContact O-N 3.15Å; N87-L122 PolarHBondContact O-N 3.38Å; N87-L176 HydrophobicContact CB-CD1 4.31Å; N87-L176 HydrophobicContact CB-CD2 3.99Å; N87-L176 WeakPolarHBondContact O-CD2 3.43Å
88	A	96.9	Very high	89.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	145.2	174	0	0	0	0	0	113.1	K14 L15 L16 T86 L122 I124 I172 L176	K14-A88 PolarHBondContact O-N 3.04Å; K14-A88 VanDerWaalsContact O-N 3.16Å; L15-A88 CarbonylContact C-O 3.59Å; L15-A88 VanDerWaalsContact CA-O 3.31Å; L15-A88 WeakPolarHBondContact CA-O 3.45Å; L15-A88 HydrophobicContact CG-CB 4.19Å; L16-A88 PolarHBondContact N-O 3.25Å; T86-A88 WeakPolarHBondContact CG2-O 3.42Å; A88-L122 CarbonylContact C-O 3.42Å; A88-L122 WeakPolarHBondContact CA-O 3.31Å; A88-L122 HydrophobicContact CB-CB 3.99Å; A88-L122 WeakPolarHBondContact CB-O 3.28Å; A88-I124 HydrophobicContact CB-CD1 3.94Å; A88-I172 HydrophobicContact CB-CG2 4.26Å; A88-L176 HydrophobicContact CB-CD1 4.01Å; A88-L176 HydrophobicContact CB-CD2 4.33Å
89	V	95.6	Very high	91.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.8	170.8	164.4	0	0	0	0	109.2	L16 I18 T86 L91 I111 I121 L122 I123 I124	L16-V89 HydrophobicContact CB-CG2 4.09Å; L16-V89 HydrophobicContact CD2-CG2 4.37Å; L16-V89 CarbonylContact O-C 3.49Å; L16-V89 WeakPolarHBondContact O-CA 3.5Å; I18-V89 HydrophobicContact CD1-CG1 3.66Å; I18-V89 HydrophobicContact CG1-CG1 3.65Å; T86-V89 HydrophobicContact CG2-CG2 3.98Å; V89-L91 HydrophobicContact CG1-CB 4.41Å; V89-I111 HydrophobicContact CB-CD1 4.43Å; V89-I111 HydrophobicContact CG1-CD1 3.72Å; V89-I111 HydrophobicContact CG1-CG1 4.3Å; V89-I121 HydrophobicContact CB-CD1 4.07Å; V89-I121 HydrophobicContact CG2-CD1 3.44Å; V89-I121 VanDerWaalsContact CG2-CD1 3.44Å; V89-L122 PolarHBondContact N-O 3Å; V89-I123 HydrophobicContact CB-CD1 3.85Å; V89-I124 PolarHBondContact O-N 3.3Å
90	L	98	Very high	92.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.6	168.6	-72.7	74.6	0	0	0	107.6	L15 L16 L17 I18 I124 V126 M168 F169 I172	L15-L90 HydrophobicContact CB-CD1 4.3Å; L15-L90 HydrophobicContact CD2-CD1 4.09Å; L15-L90 HydrophobicContact CG-CD1 4.2Å; L16-L90 PolarHBondContact O-N 3.45Å; L17-L90 HydrophobicContact CD1-CB 4.15Å; L17-L90 HydrophobicContact CD1-CD1 4.22Å; L17-L90 HydrophobicContact CD1-CD2 4.19Å; L17-L90 HydrophobicContact CD1-CG 4.43Å; L17-L90 HydrophobicContact CG-CB 4.12Å; L17-L90 HydrophobicContact CG-CD2 4.47Å; I18-L90 PolarHBondContact N-O 2.97Å; L90-I124 HydrophobicContact CD1-CD1 4.2Å; L90-I124 HydrophobicContact CG-CB 4.45Å; L90-I124 HydrophobicContact CG-CD1 4.43Å; L90-V126 HydrophobicContact CB-CG2 4.42Å; L90-M168 HydrophobicContact CD2-CE 3.84Å; L90-M168 HydrophobicContact CD2-SD 4.49Å; L90-F169 HydrophobicContact CD2-CE1 3.71Å; L90-F169 HydrophobicContact CD2-CE2 4.43Å; L90-F169 HydrophobicContact CD2-CZ 3.65Å; L90-I172 HydrophobicContact CD1-CD1 3.99Å; L90-I172 HydrophobicContact CD2-CD1 4.06Å; L90-I172 HydrophobicContact CG-CD1 4.04Å
91	L	96.4	Very high	93.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	103.8	-178.4	-177.9	53.4	0	0	0	109.1	I18 V89 I104 W107 M108 I111 I124 L125 V126	I18-L91 HydrophobicContact CD1-CD1 3.94Å; I18-L91 HydrophobicContact CG1-CD1 3.8Å; V89-L91 HydrophobicContact CG1-CB 4.41Å; L91-I104 HydrophobicContact CD1-CD1 3.88Å; L91-I104 HydrophobicContact CD2-CB 4.49Å; L91-I104 HydrophobicContact CD2-CD1 4.04Å; L91-I104 HydrophobicContact CD2-CG2 3.64Å; L91-I104 HydrophobicContact CG-CD1 3.54Å; L91-I104 HydrophobicContact CG-CG2 4.29Å; L91-W107 HydrophobicContact CD1-CB 3.37Å; L91-W107 HydrophobicContact CD1-CG 3.73Å; L91-W107 HydrophobicContact CD2-CB 4.09Å; L91-W107 HydrophobicContact CG-CB 4.38Å; L91-M108 HydrophobicContact CD2-CE 3.92Å; L91-I111 HydrophobicContact CD2-CD1 4.27Å; L91-I124 PolarHBondContact N-O 3.17Å; L91-L125 HydrophobicContact CG-CD1 4.49Å; L91-V126 PolarHBondContact O-N 2.9Å
92	V	98	Very high	94.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.1	-165.7	-168.6	0	0	0	0	110.9	I18 V23 K25 L28 V126 N128	I18-V92 PolarHBondContact O-N 3.4Å; V23-V92 HydrophobicContact CB-CG1 4.3Å; V23-V92 HydrophobicContact CG2-CB 3.9Å; V23-V92 HydrophobicContact CG2-CG1 3.83Å; K25-V92 HydrophobicContact CG-CB 4.13Å; K25-V92 HydrophobicContact CG-CG2 4.14Å; L28-V92 HydrophobicContact CD1-CG1 3.86Å; L28-V92 HydrophobicContact CD1-CG2 4.18Å; V92-V126 WeakPolarHBondContact CA-O 3.02Å; V92-V126 HydrophobicContact CG1-CB 4.41Å; V92-V126 HydrophobicContact CG2-CB 4.22Å; V92-N128 HydrophobicContact CG1-CB 3.83Å
93	Y	98.3	Very high	95.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	166.6	165.9	70.4	-82.7	0	0	0	111.1	I95 F101 I104 L125 V126 N128 V138 F154	Y93-I95 HydrophobicContact CE2-CG2 3.88Å; Y93-F101 HydrophobicContact CD1-CD2 4.16Å; Y93-F101 HydrophobicContact CD2-CB 3.89Å; Y93-F101 AromaticContact CD2-CD2 3.98Å; Y93-F101 HydrophobicContact CD2-CD2 3.98Å; Y93-F101 HydrophobicContact CD2-CG 4.4Å; Y93-F101 HydrophobicContact CE1-CD2 4.01Å; Y93-F101 HydrophobicContact CE1-CE2 4.44Å; Y93-F101 HydrophobicContact CE2-CB 4.37Å; Y93-F101 AromaticContact CE2-CD2 3.84Å; Y93-F101 HydrophobicContact CE2-CD2 3.84Å; Y93-F101 HydrophobicContact CE2-CG 4.47Å; Y93-F101 HydrophobicContact CG-CB 4.26Å; Y93-F101 HydrophobicContact CG-CD2 4.14Å; Y93-F101 AromaticContact CZ-CD2 3.86Å; Y93-I104 HydrophobicContact CD1-CD1 4.28Å; Y93-I104 HydrophobicContact CD1-CG1 4.48Å; Y93-L125 HydrophobicContact CD1-CD1 3.83Å; Y93-L125 HydrophobicContact CD1-CG 4.33Å; Y93-L125 HydrophobicContact CE1-CD1 3.98Å; Y93-L125 HydrophobicContact CE1-CD2 4.34Å; Y93-L125 HydrophobicContact CE1-CG 3.97Å; Y93-V126 WeakPolarHBondContact CD1-O 3.27Å; Y93-V126 PolarHBondContact N-O 2.99Å; Y93-N128 PolarHBondContact O-N 3.33Å; Y93-V138 HydrophobicContact CE2-CB 4.05Å; Y93-V138 HydrophobicContact CE2-CG1 3.87Å; Y93-V138 HydrophobicContact CE2-CG2 4.38Å; Y93-F154 HydrophobicContact CE1-CE2 4.25Å; Y93-F154 WeakPolarHBondContact OH-CE2 3.41Å
94	D	98.3	Very high	95.8	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.7	173.7	176.6	-8	0	0	0	108.7	V23 C96 K97 S100 K129	V23-D94 HydrophobicContact CB-CB 4.33Å; V23-D94 HydrophobicContact CG1-CB 4.2Å; D94-C96 PolarHBondContact O-N 3.47Å; D94-C96 VanDerWaalsContact O-N 3.08Å; D94-C96 WeakPolarHBondContact OD1-CB 3.37Å; D94-C96 PolarHBondContact OD1-N 3.12Å; D94-K97 HydrophobicContact CB-CB 4.11Å; D94-K97 HydrophobicContact CB-CD 4.33Å; D94-K97 HydrophobicContact CB-CG 4.24Å; D94-K97 PolarHBondContact O-N 3.38Å; D94-K97 WeakPolarHBondContact OD2-CD 3.46Å; D94-K97 WeakPolarHBondContact OD2-CE 3.18Å; D94-K97 WeakPolarHBondContact OD2-CG 3.33Å; D94-S100 PolarHBondContact N-OG 3Å; D94-S100 PolarHBondContact O-OG 2.96Å; D94-K129 WeakPolarHBondContact OD1-CD 3.26Å; D94-K129 WeakPolarHBondContact OD2-CD 3.45Å; D94-K129 WeakPolarHBondContact OD2-CE 3.11Å; D94-K129 IonicContact OD2-NZ 3.69Å; D94-K129 PolarHBondContact OD2-NZ 3.48Å
95	I	98.7	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.1	-178.5	66	164	0	0	0	113.1	Y93 N128 K129 M137 V138	Y93-I95 HydrophobicContact CE2-CG2 3.88Å; I95-N128 WeakPolarHBondContact CG1-O 3.48Å; I95-N128 PolarHBondContact N-O 2.98Å; I95-K129 WeakPolarHBondContact CD1-O 3.28Å; I95-M137 PolarHBondContact O-N 3.25Å; I95-V138 PolarHBondContact O-N 3.32Å
96	C	98.4	Very high	96.5	Very high	22 Å²	22	34.4 Å²	34.4	15%	0.149	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	3.8	177.4	-55.1	0	0	0	0	113	D94 E132 N135 M137	D94-C96 PolarHBondContact O-N 3.47Å; D94-C96 VanDerWaalsContact O-N 3.08Å; D94-C96 WeakPolarHBondContact OD1-CB 3.37Å; D94-C96 PolarHBondContact OD1-N 3.12Å; C96-E132 WeakPolarHBondContact SG-CB 3.33Å; C96-E132 PolarHBondContact SG-O 2.96Å; C96-N135 WeakPolarHBondContact CA-O 3.46Å; C96-N135 HydrophobicContact CB-CB 4.3Å; C96-N135 WeakPolarHBondContact CB-O 3.38Å; C96-N135 PolarHBondContact SG-O 3.49Å; C96-M137 WeakPolarHBondContact O-CG 3.49Å
97	K	97.6	Very high	96.4	Very high	99 Å²	99	34.4 Å²	34.4	43%	0.43	18%	0.181	S	C	.	.			trans	-135.2	102.4	-178.3	-64.2	-174.3	-179	-169.7	0	112.1	D94 D99 S100 F101	D94-K97 HydrophobicContact CB-CB 4.11Å; D94-K97 HydrophobicContact CB-CD 4.33Å; D94-K97 HydrophobicContact CB-CG 4.24Å; D94-K97 PolarHBondContact O-N 3.38Å; D94-K97 WeakPolarHBondContact OD2-CD 3.46Å; D94-K97 WeakPolarHBondContact OD2-CE 3.18Å; D94-K97 WeakPolarHBondContact OD2-CG 3.33Å; K97-D99 VanDerWaalsContact C-N 3.25Å; K97-D99 PolarHBondContact O-N 3.29Å; K97-S100 PolarHBondContact O-N 2.94Å; K97-S100 VanDerWaalsContact O-N 3.14Å; K97-S100 PolarHBondContact O-OG 3.21Å; K97-F101 PolarHBondContact O-N 2.87Å
98	M	97.6	Very high	96.2	Very high	62 Å²	62	32.7 Å²	32.7	31%	0.305	17%	0.172	S	C	.	.	H	α-helix	trans	-56.3	-36.2	178.6	-174.8	58.5	74.7	0	0	113.4	S100 F101 S102 M137 V138	M98-S100 PolarHBondContact O-N 3.32Å; M98-F101 PolarHBondContact O-N 3.03Å; M98-F101 HydrophobicContact SD-CD1 4.05Å; M98-S102 WeakPolarHBondContact O-CB 3.4Å; M98-S102 PolarHBondContact O-N 3.33Å; M98-S102 PolarHBondContact O-OG 3.22Å; M98-M137 HydrophobicContact CB-CE 4.32Å; M98-M137 VanDerWaalsContact CE-O 3.23Å; M98-M137 WeakPolarHBondContact CE-O 3.3Å; M98-V138 HydrophobicContact CE-CG2 4.12Å; M98-V138 HydrophobicContact SD-CG2 4.05Å
99	D	97.3	Very high	95.9	Very high	123 Å²	123	36.5 Å²	36.5	66%	0.658	20%	0.198	S	C	*	.	H	α-helix	trans	-62.7	-42.8	179	-64.1	-23.1	0	0	0	111.8	K97 F101 S102 N103	K97-D99 VanDerWaalsContact C-N 3.25Å; K97-D99 PolarHBondContact O-N 3.29Å; D99-F101 PolarHBondContact O-N 2.85Å; D99-S102 PolarHBondContact O-N 3.46Å; D99-S102 VanDerWaalsContact O-N 3.11Å; D99-N103 WeakPolarHBondContact O-CB 3.47Å; D99-N103 VanDerWaalsContact O-CG 3.22Å; D99-N103 PolarHBondContact O-N 2.94Å; D99-N103 PolarHBondContact O-ND2 2.62Å
100	S	97	Very high	95.5	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-31.5	179.1	74.9	0	0	0	0	112.5	D20 D94 K97 M98	D20-S100 WeakPolarHBondContact OD2-CA 3.4Å; D94-S100 PolarHBondContact N-OG 3Å; D94-S100 PolarHBondContact O-OG 2.96Å; K97-S100 PolarHBondContact O-N 2.94Å; K97-S100 VanDerWaalsContact O-N 3.14Å; K97-S100 PolarHBondContact O-OG 3.21Å; M98-S100 PolarHBondContact O-N 3.32Å
101	F	98.4	Very high	95.1	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.075	20%	0.202	C	C	.	.	H	α-helix	trans	-75.7	-40.7	173	176.9	-106	0	0	0	112.1	Y93 K97 M98 D99 N103 I104 V138 E142 L146	Y93-F101 HydrophobicContact CD1-CD2 4.16Å; Y93-F101 HydrophobicContact CD2-CB 3.89Å; Y93-F101 AromaticContact CD2-CD2 3.98Å; Y93-F101 HydrophobicContact CD2-CD2 3.98Å; Y93-F101 HydrophobicContact CD2-CG 4.4Å; Y93-F101 HydrophobicContact CE1-CD2 4.01Å; Y93-F101 HydrophobicContact CE1-CE2 4.44Å; Y93-F101 HydrophobicContact CE2-CB 4.37Å; Y93-F101 AromaticContact CE2-CD2 3.84Å; Y93-F101 HydrophobicContact CE2-CD2 3.84Å; Y93-F101 HydrophobicContact CE2-CG 4.47Å; Y93-F101 HydrophobicContact CG-CB 4.26Å; Y93-F101 HydrophobicContact CG-CD2 4.14Å; Y93-F101 AromaticContact CZ-CD2 3.86Å; K97-F101 PolarHBondContact O-N 2.87Å; M98-F101 PolarHBondContact O-N 3.03Å; M98-F101 HydrophobicContact SD-CD1 4.05Å; D99-F101 PolarHBondContact O-N 2.85Å; F101-N103 VanDerWaalsContact C-N 3.28Å; F101-N103 PolarHBondContact O-N 3.42Å; F101-I104 WeakPolarHBondContact O-CB 3.31Å; F101-I104 WeakPolarHBondContact O-CG1 3.47Å; F101-I104 PolarHBondContact O-N 3.48Å; F101-V138 HydrophobicContact CB-CG1 4.38Å; F101-V138 HydrophobicContact CB-CG2 3.7Å; F101-V138 HydrophobicContact CD1-CG1 3.98Å; F101-V138 HydrophobicContact CD1-CG2 4.21Å; F101-V138 HydrophobicContact CD2-CG1 3.78Å; F101-V138 HydrophobicContact CE1-CG1 4.15Å; F101-V138 HydrophobicContact CE2-CG1 3.95Å; F101-V138 HydrophobicContact CG-CG1 3.78Å; F101-V138 HydrophobicContact CG-CG2 3.94Å; F101-V138 HydrophobicContact CZ-CG1 4.13Å; F101-E142 HydrophobicContact CE1-CB 4.34Å; F101-E142 HydrophobicContact CZ-CB 4.06Å; F101-L146 HydrophobicContact CD2-CD2 4.06Å; F101-L146 HydrophobicContact CE1-CD2 4.42Å; F101-L146 HydrophobicContact CE2-CB 4.07Å; F101-L146 HydrophobicContact CE2-CD2 3.39Å; F101-L146 HydrophobicContact CE2-CG 4.38Å; F101-L146 HydrophobicContact CZ-CB 3.92Å; F101-L146 HydrophobicContact CZ-CD2 3.61Å; F101-L146 HydrophobicContact CZ-CG 4.4Å
102	S	97	Very high	94.7	Very high	62 Å²	62	42.8 Å²	42.8	43%	0.434	23%	0.232	S	C	.	.	H	α-helix	trans	-62.4	-38	177.4	-61.6	0	0	0	0	111.7	M98 D99 I104	M98-S102 WeakPolarHBondContact O-CB 3.4Å; M98-S102 PolarHBondContact O-N 3.33Å; M98-S102 PolarHBondContact O-OG 3.22Å; D99-S102 PolarHBondContact O-N 3.46Å; D99-S102 VanDerWaalsContact O-N 3.11Å; S102-I104 PolarHBondContact O-N 3.46Å
103	N	94.9	Very high	94.2	Very high	68 Å²	68	46.6 Å²	46.6	36%	0.364	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.7	179.1	-70.7	-21	0	0	0	114	D20 D99 F101 K105 S106 W107	D20-N103 PolarHBondContact OD2-ND2 3.08Å; D99-N103 WeakPolarHBondContact O-CB 3.47Å; D99-N103 VanDerWaalsContact O-CG 3.22Å; D99-N103 PolarHBondContact O-N 2.94Å; D99-N103 PolarHBondContact O-ND2 2.62Å; F101-N103 VanDerWaalsContact C-N 3.28Å; F101-N103 PolarHBondContact O-N 3.42Å; N103-K105 PolarHBondContact O-N 3.04Å; N103-S106 WeakPolarHBondContact O-CB 3.21Å; N103-S106 PolarHBondContact O-N 2.93Å; N103-W107 VanDerWaalsContact O-CD1 3.22Å; N103-W107 PolarHBondContact O-N 3.26Å
104	I	95	Very high	93.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-54.3	-36.5	175.9	-65.7	-69.1	0	0	0	111.9	L91 Y93 F101 S102 S106 W107 M108 L125 L146	L91-I104 HydrophobicContact CD1-CD1 3.88Å; L91-I104 HydrophobicContact CD2-CB 4.49Å; L91-I104 HydrophobicContact CD2-CD1 4.04Å; L91-I104 HydrophobicContact CD2-CG2 3.64Å; L91-I104 HydrophobicContact CG-CD1 3.54Å; L91-I104 HydrophobicContact CG-CG2 4.29Å; Y93-I104 HydrophobicContact CD1-CD1 4.28Å; Y93-I104 HydrophobicContact CD1-CG1 4.48Å; F101-I104 WeakPolarHBondContact O-CB 3.31Å; F101-I104 WeakPolarHBondContact O-CG1 3.47Å; F101-I104 PolarHBondContact O-N 3.48Å; S102-I104 PolarHBondContact O-N 3.46Å; I104-S106 PolarHBondContact O-N 3.44Å; I104-W107 PolarHBondContact O-N 3.21Å; I104-M108 WeakPolarHBondContact O-CB 3.3Å; I104-M108 PolarHBondContact O-N 3.18Å; I104-L125 HydrophobicContact CD1-CD1 3.72Å; I104-L125 HydrophobicContact CG1-CD1 4.09Å; I104-L125 HydrophobicContact CG2-CD1 3.8Å; I104-L146 HydrophobicContact CB-CD2 3.94Å; I104-L146 HydrophobicContact CG1-CD2 4.47Å; I104-L146 HydrophobicContact CG2-CD2 3.58Å; I104-L146 HydrophobicContact CG2-CG 4.38Å
105	K	93.5	Very high	92.9	Very high	141 Å²	141	50 Å²	50	61%	0.613	28%	0.281	S	S	*	.	H	α-helix	trans	-62.8	-42.4	176.6	-66.2	-179.8	-177.5	174.5	0	112	N103 M108 S109	N103-K105 PolarHBondContact O-N 3.04Å; K105-M108 PolarHBondContact O-N 3.42Å; K105-S109 PolarHBondContact O-N 2.89Å; K105-S109 PolarHBondContact O-OG 2.94Å
106	S	91.3	Very high	91.7	Very high	59 Å²	59	56 Å²	56	41%	0.413	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-42.7	176.3	173.9	0	0	0	0	111.2	R76 N103 I104 M108 S109 E110	R76-S106 PolarHBondContact NH1-OG 3.42Å; R76-S106 PolarHBondContact NH2-O 3.38Å; R76-S106 PolarHBondContact NH2-OG 3.21Å; N103-S106 WeakPolarHBondContact O-CB 3.21Å; N103-S106 PolarHBondContact O-N 2.93Å; I104-S106 PolarHBondContact O-N 3.44Å; S106-M108 PolarHBondContact O-N 3.19Å; S106-S109 PolarHBondContact O-N 3.38Å; S106-E110 PolarHBondContact O-N 2.86Å; S106-E110 VanDerWaalsContact O-N 3.15Å
107	W	91.7	Very high	90.4	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.015	35%	0.348	C	S	.	.	H	α-helix	trans	-61.2	-42	173	-71.6	111	0	0	0	112.5	I18 G19 D20 R76 L91 N103 I104 S109 E110 I111	I18-W107 HydrophobicContact CB-CE3 4.17Å; I18-W107 HydrophobicContact CB-CZ3 4.28Å; I18-W107 HydrophobicContact CD1-CB 4.43Å; I18-W107 HydrophobicContact CD1-CE3 4.05Å; G19-W107 WeakPolarHBondContact O-CZ2 3.18Å; D20-W107 PolarHBondContact OD1-NE1 3.11Å; R76-W107 HydrophobicContact CG-CH2 4.26Å; R76-W107 HydrophobicContact CG-CZ3 4.1Å; L91-W107 HydrophobicContact CD1-CB 3.37Å; L91-W107 HydrophobicContact CD1-CG 3.73Å; L91-W107 HydrophobicContact CD2-CB 4.09Å; L91-W107 HydrophobicContact CG-CB 4.38Å; N103-W107 VanDerWaalsContact O-CD1 3.22Å; N103-W107 PolarHBondContact O-N 3.26Å; I104-W107 PolarHBondContact O-N 3.21Å; W107-S109 VanDerWaalsContact C-N 3.35Å; W107-S109 PolarHBondContact O-N 2.94Å; W107-E110 WeakPolarHBondContact O-CB 3.27Å; W107-E110 PolarHBondContact O-N 3.16Å; W107-E110 VanDerWaalsContact O-N 3.13Å; W107-I111 WeakPolarHBondContact O-CG1 3.48Å; W107-I111 PolarHBondContact O-N 2.78Å
108	M	91.1	Very high	88.9	Confident	19 Å²	19	62.8 Å²	62.8	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-40.6	175.8	-167.7	66.7	62.6	0	0	112.4	L91 I104 K105 S106 E110 I111 N112 I123 T150	L91-M108 HydrophobicContact CD2-CE 3.92Å; I104-M108 WeakPolarHBondContact O-CB 3.3Å; I104-M108 PolarHBondContact O-N 3.18Å; K105-M108 PolarHBondContact O-N 3.42Å; S106-M108 PolarHBondContact O-N 3.19Å; M108-E110 VanDerWaalsContact C-N 3.26Å; M108-E110 PolarHBondContact O-N 2.81Å; M108-I111 WeakPolarHBondContact O-CB 3.25Å; M108-I111 PolarHBondContact O-N 2.56Å; M108-I111 HydrophobicContact SD-CD1 4.07Å; M108-N112 PolarHBondContact O-N 3.01Å; M108-N112 PolarHBondContact O-ND2 3.4Å; M108-I123 HydrophobicContact CE-CG2 3.89Å; M108-T150 HydrophobicContact CE-CG2 3.95Å; M108-T150 HydrophobicContact CG-CG2 4.41Å
109	S	90.1	Very high	87.6	Confident	80 Å²	80	62.8 Å²	62.8	56%	0.559	36%	0.361	S	S	*	.	H	α-helix	trans	-59.4	-37.9	173.4	-67.5	0	0	0	0	112.2	K105 S106 W107 A113	K105-S109 PolarHBondContact O-N 2.89Å; K105-S109 PolarHBondContact O-OG 2.94Å; S106-S109 PolarHBondContact O-N 3.38Å; W107-S109 VanDerWaalsContact C-N 3.35Å; W107-S109 PolarHBondContact O-N 2.94Å; S109-A113 WeakPolarHBondContact O-CB 2.91Å; S109-A113 PolarHBondContact O-N 2.77Å
110	E	87.5	Confident	86.9	Confident	18 Å²	18	61.8 Å²	61.8	8%	0.084	36%	0.356	C	S	.	.	H	α-helix	trans	-68.9	-43.7	175.3	-178.2	-177.4	139.3	0	0	113	R76 Y83 S106 W107 M108 N112 A113 N114	R76-E110 WeakPolarHBondContact CD-OE2 3.27Å; R76-E110 WeakPolarHBondContact CG-OE2 3.18Å; R76-E110 IonicContact CZ-OE2 3.53Å; R76-E110 IonicContact NE-OE2 3.45Å; R76-E110 PolarHBondContact NE-OE2 2.81Å; R76-E110 IonicContact NH2-OE2 2.76Å; R76-E110 PolarHBondContact NH2-OE2 2.81Å; Y83-E110 HydrophobicContact CE2-CG 3.93Å; Y83-E110 WeakPolarHBondContact CE2-OE1 3.48Å; Y83-E110 WeakPolarHBondContact OH-CG 3.42Å; Y83-E110 PolarHBondContact OH-OE1 2.85Å; S106-E110 PolarHBondContact O-N 2.86Å; S106-E110 VanDerWaalsContact O-N 3.15Å; W107-E110 WeakPolarHBondContact O-CB 3.27Å; W107-E110 PolarHBondContact O-N 3.16Å; W107-E110 VanDerWaalsContact O-N 3.13Å; M108-E110 VanDerWaalsContact C-N 3.26Å; M108-E110 PolarHBondContact O-N 2.81Å; E110-N112 VanDerWaalsContact C-N 3.27Å; E110-N112 PolarHBondContact O-N 3.46Å; E110-A113 PolarHBondContact O-N 2.87Å; E110-A113 VanDerWaalsContact O-N 3.14Å; E110-N114 WeakPolarHBondContact CG-ND2 3.5Å; E110-N114 PolarHBondContact O-N 3.26Å; E110-N114 VanDerWaalsContact O-N 3.1Å; E110-N114 PolarHBondContact O-ND2 3.06Å
111	I	89	Confident	86.7	Confident	1 Å²	1	63 Å²	63	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-52	-52.1	173.7	-65.5	169.7	0	0	0	109	I18 Y83 V89 L91 W107 M108 A113 N114 I115 I123	I18-I111 HydrophobicContact CD1-CD1 3.88Å; I18-I111 HydrophobicContact CD1-CG1 3.78Å; Y83-I111 HydrophobicContact CE1-CB 4.42Å; Y83-I111 HydrophobicContact CE1-CG1 3.97Å; V89-I111 HydrophobicContact CB-CD1 4.43Å; V89-I111 HydrophobicContact CG1-CD1 3.72Å; V89-I111 HydrophobicContact CG1-CG1 4.3Å; L91-I111 HydrophobicContact CD2-CD1 4.27Å; W107-I111 WeakPolarHBondContact O-CG1 3.48Å; W107-I111 PolarHBondContact O-N 2.78Å; M108-I111 WeakPolarHBondContact O-CB 3.25Å; M108-I111 PolarHBondContact O-N 2.56Å; M108-I111 HydrophobicContact SD-CD1 4.07Å; I111-A113 VanDerWaalsContact C-N 3.29Å; I111-A113 PolarHBondContact O-N 2.9Å; I111-N114 PolarHBondContact O-N 2.95Å; I111-I115 HydrophobicContact CG2-CD1 3.45Å; I111-I115 VanDerWaalsContact CG2-CD1 3.45Å; I111-I115 HydrophobicContact CG2-CG1 4.32Å; I111-I115 WeakPolarHBondContact O-CB 3.47Å; I111-I115 VanDerWaalsContact O-CG1 3.31Å; I111-I115 WeakPolarHBondContact O-CG1 3.37Å; I111-I115 PolarHBondContact O-N 3.32Å; I111-I123 HydrophobicContact CD1-CD1 4.24Å; I111-I123 HydrophobicContact CG2-CD1 3.87Å
112	N	88.2	Confident	86.6	Confident	114 Å²	114	62.6 Å²	62.6	61%	0.61	36%	0.36	S	S	*	.	H	α-helix	trans	-64.8	-30.2	-178.8	-69.1	-30.8	0	0	0	113.5	M108 E110	M108-N112 PolarHBondContact O-N 3.01Å; M108-N112 PolarHBondContact O-ND2 3.4Å; E110-N112 VanDerWaalsContact C-N 3.27Å; E110-N112 PolarHBondContact O-N 3.46Å
113	A	87.9	Confident	86.5	Confident	82 Å²	82	60.5 Å²	60.5	68%	0.678	34%	0.344	S	S	*	.	H	α-helix	trans	-78.1	-22.8	178.8	0	0	0	0	0	113.6	S109 E110 I111	S109-A113 WeakPolarHBondContact O-CB 2.91Å; S109-A113 PolarHBondContact O-N 2.77Å; E110-A113 PolarHBondContact O-N 2.87Å; E110-A113 VanDerWaalsContact O-N 3.14Å; I111-A113 VanDerWaalsContact C-N 3.29Å; I111-A113 PolarHBondContact O-N 2.9Å
114	N	85.7	Confident	86.7	Confident	48 Å²	48	57.2 Å²	57.2	26%	0.257	33%	0.326	S	S	.	.	H	α-helix	trans	-112.5	-13.7	-173.7	-66	-84.6	0	0	0	114	K80 Y83 E110 I111	K80-N114 WeakPolarHBondContact CG-OD1 3.28Å; Y83-N114 HydrophobicContact CD1-CB 4.44Å; Y83-N114 HydrophobicContact CD2-CB 3.49Å; Y83-N114 VanDerWaalsContact CD2-CB 3.49Å; Y83-N114 HydrophobicContact CE2-CB 4.12Å; Y83-N114 HydrophobicContact CG-CB 3.67Å; E110-N114 WeakPolarHBondContact CG-ND2 3.5Å; E110-N114 PolarHBondContact O-N 3.26Å; E110-N114 VanDerWaalsContact O-N 3.1Å; E110-N114 PolarHBondContact O-ND2 3.06Å; I111-N114 PolarHBondContact O-N 2.95Å
115	I	83.2	Confident	86.9	Confident	26 Å²	26	57.3 Å²	57.3	13%	0.133	33%	0.326	C	S	.	.	S	Bend	trans	-94.7	131.6	176.4	-63.3	-178.9	0	0	0	109.8	Y83 I111 N119 I121	Y83-I115 HydrophobicContact CD1-CD1 4.18Å; Y83-I115 HydrophobicContact CD1-CG1 4Å; Y83-I115 HydrophobicContact CG-CG1 4.48Å; I111-I115 HydrophobicContact CG2-CD1 3.45Å; I111-I115 VanDerWaalsContact CG2-CD1 3.45Å; I111-I115 HydrophobicContact CG2-CG1 4.32Å; I111-I115 WeakPolarHBondContact O-CB 3.47Å; I111-I115 VanDerWaalsContact O-CG1 3.31Å; I111-I115 WeakPolarHBondContact O-CG1 3.37Å; I111-I115 PolarHBondContact O-N 3.32Å; I115-N119 HydrophobicContact CG2-CB 3.79Å; I115-I121 HydrophobicContact CD1-CB 4.09Å; I115-I121 HydrophobicContact CD1-CD1 3.26Å; I115-I121 HydrophobicContact CD1-CG1 4.21Å; I115-I121 HydrophobicContact CD1-CG2 3.69Å; I115-I121 HydrophobicContact CG2-CG2 4.24Å
116	Q	74.2	Confident	87.1	Confident	127 Å²	127	50.6 Å²	50.6	59%	0.593	30%	0.297	S	S	*	.			trans	-64.1	140.9	177.6	-60.4	-179.7	-42.6	0	0	110.5	N118 N119	Q116-N118 WeakPolarHBondContact CB-OD1 3.42Å; Q116-N118 PolarHBondContact O-N 3.06Å; Q116-N119 WeakPolarHBondContact O-CB 3.48Å; Q116-N119 PolarHBondContact O-N 3.48Å
117	S	69.9	Low	87.5	Confident	137 Å²	137	47.8 Å²	47.8	96%	0.958	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-16.8	-173.8	34.8	0	0	0	0	114.9
118	N	67.3	Low	87.8	Confident	125 Å²	125	47.7 Å²	47.7	67%	0.668	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.3	173.8	61.5	-28	0	0	0	113.9	Q116 N120	Q116-N118 WeakPolarHBondContact CB-OD1 3.42Å; Q116-N118 PolarHBondContact O-N 3.06Å; N118-N120 PolarHBondContact O-N 2.98Å
119	N	70.1	Confident	88.1	Confident	62 Å²	62	49.3 Å²	49.3	33%	0.332	28%	0.284	S	S	.	.			trans	-83.2	112.6	177.4	-92.6	-4.7	0	0	0	110.7	I115 Q116 I121	I115-N119 HydrophobicContact CG2-CB 3.79Å; Q116-N119 WeakPolarHBondContact O-CB 3.48Å; Q116-N119 PolarHBondContact O-N 3.48Å; N119-I121 VanDerWaalsContact C-N 3.33Å; N119-I121 PolarHBondContact O-N 3.2Å
120	N	82.7	Confident	88.5	Confident	103 Å²	103	47.3 Å²	47.3	55%	0.551	27%	0.267	S	S	*	.			trans	-79.1	85.1	171.7	-159.8	21.3	0	0	0	109.1	N118 M179	N118-N120 PolarHBondContact O-N 2.98Å; N120-M179 HydrophobicContact CB-CE 4.03Å; N120-M179 WeakPolarHBondContact ND2-CE 3.32Å; N120-M179 VanDerWaalsContact O-CE 3.23Å; N120-M179 WeakPolarHBondContact O-CE 3.48Å
121	I	92	Very high	89	Confident	28 Å²	28	48.8 Å²	48.8	14%	0.144	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-83.6	137.5	176.7	-171.4	167.5	0	0	0	110.9	T86 V89 I115 N119 I123	T86-I121 HydrophobicContact CG2-CD1 3.71Å; V89-I121 HydrophobicContact CB-CD1 4.07Å; V89-I121 HydrophobicContact CG2-CD1 3.44Å; V89-I121 VanDerWaalsContact CG2-CD1 3.44Å; I115-I121 HydrophobicContact CD1-CB 4.09Å; I115-I121 HydrophobicContact CD1-CD1 3.26Å; I115-I121 HydrophobicContact CD1-CG1 4.21Å; I115-I121 HydrophobicContact CD1-CG2 3.69Å; I115-I121 HydrophobicContact CG2-CG2 4.24Å; N119-I121 VanDerWaalsContact C-N 3.33Å; N119-I121 PolarHBondContact O-N 3.2Å; I121-I123 HydrophobicContact CB-CD1 4.47Å; I121-I123 HydrophobicContact CD1-CD1 4.12Å; I121-I123 HydrophobicContact CG1-CD1 4.04Å; I121-I123 HydrophobicContact CG2-CD1 3.71Å; I121-I123 HydrophobicContact CG2-CG1 4.27Å
122	L	95.7	Very high	89.4	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.052	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120	169.7	-179	63.3	0	0	0	110.3	N87 A88 V89 I124 L153 I172 H175 L176 M179	N87-L122 PolarHBondContact O-N 3.38Å; A88-L122 CarbonylContact C-O 3.42Å; A88-L122 WeakPolarHBondContact CA-O 3.31Å; A88-L122 HydrophobicContact CB-CB 3.99Å; A88-L122 WeakPolarHBondContact CB-O 3.28Å; V89-L122 PolarHBondContact N-O 3Å; L122-I124 HydrophobicContact CD2-CD1 4.01Å; L122-I124 HydrophobicContact CD2-CG1 4.5Å; L122-I124 HydrophobicContact CG-CD1 3.81Å; L122-I124 HydrophobicContact CG-CG1 4.31Å; L122-L153 HydrophobicContact CD1-CD1 3.9Å; L122-L153 HydrophobicContact CD1-CG 4.1Å; L122-L153 HydrophobicContact CD2-CD1 4.29Å; L122-L153 HydrophobicContact CG-CD1 4.45Å; L122-I172 HydrophobicContact CD2-CG2 4.31Å; L122-H175 VanDerWaalsContact CD1-CD2 3.46Å; L122-H175 WeakPolarHBondContact CD1-CD2 3.2Å; L122-H175 HydrophobicContact CD2-CB 3.94Å; L122-L176 HydrophobicContact CB-CD2 3.97Å; L122-L176 HydrophobicContact CD2-CD2 4.2Å; L122-L176 HydrophobicContact CD2-CG 4.21Å; L122-M179 HydrophobicContact CB-SD 4.38Å
123	I	96.5	Very high	89.9	Confident	17 Å²	17	51.1 Å²	51.1	9%	0.087	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.3	174.9	-51.2	-58.8	0	0	0	109.9	V89 M108 I111 I121 A152 L153	V89-I123 HydrophobicContact CB-CD1 3.85Å; M108-I123 HydrophobicContact CE-CG2 3.89Å; I111-I123 HydrophobicContact CD1-CD1 4.24Å; I111-I123 HydrophobicContact CG2-CD1 3.87Å; I121-I123 HydrophobicContact CB-CD1 4.47Å; I121-I123 HydrophobicContact CD1-CD1 4.12Å; I121-I123 HydrophobicContact CG1-CD1 4.04Å; I121-I123 HydrophobicContact CG2-CD1 3.71Å; I121-I123 HydrophobicContact CG2-CG1 4.27Å; I123-A152 HydrophobicContact CB-CB 4.03Å; I123-A152 HydrophobicContact CG2-CB 3.82Å; I123-A152 CarbonylContact O-C 3.51Å; I123-A152 WeakPolarHBondContact O-CA 3.01Å; I123-L153 PolarHBondContact O-N 3.25Å
124	I	98.4	Very high	90.3	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117	176	-52	92	0	0	0	108.4	A88 V89 L90 L91 L122 V126 L153 M168 I172	A88-I124 HydrophobicContact CB-CD1 3.94Å; V89-I124 PolarHBondContact O-N 3.3Å; L90-I124 HydrophobicContact CD1-CD1 4.2Å; L90-I124 HydrophobicContact CG-CB 4.45Å; L90-I124 HydrophobicContact CG-CD1 4.43Å; L91-I124 PolarHBondContact N-O 3.17Å; L122-I124 HydrophobicContact CD2-CD1 4.01Å; L122-I124 HydrophobicContact CD2-CG1 4.5Å; L122-I124 HydrophobicContact CG-CD1 3.81Å; L122-I124 HydrophobicContact CG-CG1 4.31Å; I124-V126 HydrophobicContact CG2-CG2 3.83Å; I124-L153 CarbonylContact C-O 3.6Å; I124-L153 WeakPolarHBondContact CA-O 3.41Å; I124-L153 HydrophobicContact CG1-CB 4.23Å; I124-L153 HydrophobicContact CG1-CD1 4.38Å; I124-L153 HydrophobicContact CG2-CB 4.29Å; I124-M168 HydrophobicContact CG2-SD 4.38Å; I124-I172 HydrophobicContact CB-CD1 4.45Å; I124-I172 HydrophobicContact CD1-CD1 3.76Å; I124-I172 HydrophobicContact CD1-CG1 3.84Å; I124-I172 HydrophobicContact CG1-CD1 3.81Å; I124-I172 HydrophobicContact CG1-CG1 3.81Å; I124-I172 HydrophobicContact CG2-CD1 4.49Å
125	L	98.5	Very high	90.9	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.4	169.5	-178.3	64	0	0	0	109.1	L91 Y93 I104 G143 L146 A147 A152 L153 F154 W155	L91-L125 HydrophobicContact CG-CD1 4.49Å; Y93-L125 HydrophobicContact CD1-CD1 3.83Å; Y93-L125 HydrophobicContact CD1-CG 4.33Å; Y93-L125 HydrophobicContact CE1-CD1 3.98Å; Y93-L125 HydrophobicContact CE1-CD2 4.34Å; Y93-L125 HydrophobicContact CE1-CG 3.97Å; I104-L125 HydrophobicContact CD1-CD1 3.72Å; I104-L125 HydrophobicContact CG1-CD1 4.09Å; I104-L125 HydrophobicContact CG2-CD1 3.8Å; L125-G143 WeakPolarHBondContact CD2-O 3.39Å; L125-L146 HydrophobicContact CD2-CB 4.1Å; L125-L146 HydrophobicContact CD2-CD2 4.13Å; L125-L146 HydrophobicContact CD2-CG 4.13Å; L125-A147 HydrophobicContact CB-CB 4.26Å; L125-A147 HydrophobicContact CD2-CB 4.02Å; L125-A152 HydrophobicContact CB-CB 4.38Å; L125-L153 PolarHBondContact N-O 2.79Å; L125-F154 HydrophobicContact CB-CD2 4.2Å; L125-F154 HydrophobicContact CD2-CD2 4.03Å; L125-F154 HydrophobicContact CD2-CE2 4.35Å; L125-F154 HydrophobicContact CG-CD2 4.05Å; L125-F154 HydrophobicContact CG-CE2 4.4Å; L125-F154 WeakPolarHBondContact O-CA 3.44Å; L125-W155 PolarHBondContact O-N 2.9Å
126	V	98.8	Very high	91.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	110	-174.3	-171.7	0	0	0	0	110.4	L28 L90 L91 V92 Y93 I124 N128 W155 T157 M168	L28-V126 HydrophobicContact CD1-CG1 4.24Å; L90-V126 HydrophobicContact CB-CG2 4.42Å; L91-V126 PolarHBondContact O-N 2.9Å; V92-V126 WeakPolarHBondContact CA-O 3.02Å; V92-V126 HydrophobicContact CG1-CB 4.41Å; V92-V126 HydrophobicContact CG2-CB 4.22Å; Y93-V126 WeakPolarHBondContact CD1-O 3.27Å; Y93-V126 PolarHBondContact N-O 2.99Å; I124-V126 HydrophobicContact CG2-CG2 3.83Å; V126-N128 PolarHBondContact O-N 3.47Å; V126-W155 CarbonylContact C-O 3.59Å; V126-W155 VanDerWaalsContact CA-O 3.32Å; V126-W155 WeakPolarHBondContact CA-O 3.32Å; V126-T157 HydrophobicContact CG1-CG2 3.93Å; V126-T157 WeakPolarHBondContact CG1-OG1 3.48Å; V126-M168 HydrophobicContact CB-SD 4.39Å; V126-M168 HydrophobicContact CG1-CE 4.43Å; V126-M168 HydrophobicContact CG1-SD 3.9Å; V126-M168 HydrophobicContact CG2-CE 4.42Å; V126-M168 HydrophobicContact CG2-SD 3.55Å; V126-M168 VanDerWaalsContact CG2-SD 3.55Å
127	G	98.8	Very high	92.8	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	99.3	168.1	0	0	0	0	0	110.3	W155 E156 T157	G127-W155 PolarHBondContact N-O 3.39Å; G127-E156 CarbonylContact O-C 3.49Å; G127-E156 WeakPolarHBondContact O-CA 3.13Å; G127-T157 PolarHBondContact O-N 3.34Å
128	N	98.7	Very high	94.1	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	165.6	-178.3	-170.1	36.6	0	0	0	112.2	V23 L28 V92 Y93 I95 V126 T157 A159	V23-N128 PolarHBondContact O-ND2 3.42Å; L28-N128 HydrophobicContact CD1-CB 4.27Å; V92-N128 HydrophobicContact CG1-CB 3.83Å; Y93-N128 PolarHBondContact O-N 3.33Å; I95-N128 WeakPolarHBondContact CG1-O 3.48Å; I95-N128 PolarHBondContact N-O 2.98Å; V126-N128 PolarHBondContact O-N 3.47Å; N128-T157 CarbonylContact C-O 3.59Å; N128-T157 WeakPolarHBondContact CA-O 3.47Å; N128-T157 PolarHBondContact OD1-O 3.28Å; N128-T157 PolarHBondContact OD1-OG1 3.31Å; N128-A159 PolarHBondContact OD1-N 2.96Å
129	K	97.9	Very high	95.6	Very high	52 Å²	52	51.6 Å²	51.6	23%	0.226	25%	0.246	C	C	.	.			trans	72.5	36.7	-176.8	-46	-168.9	-166.4	172.2	0	113.8	C22 D94 I95 D131 E132 T157	C22-K129 WeakPolarHBondContact O-CE 3.48Å; C22-K129 PolarHBondContact O-NZ 3.45Å; D94-K129 WeakPolarHBondContact OD1-CD 3.26Å; D94-K129 WeakPolarHBondContact OD2-CD 3.45Å; D94-K129 WeakPolarHBondContact OD2-CE 3.11Å; D94-K129 IonicContact OD2-NZ 3.69Å; D94-K129 PolarHBondContact OD2-NZ 3.48Å; I95-K129 WeakPolarHBondContact CD1-O 3.28Å; K129-D131 PolarHBondContact O-N 3.07Å; K129-E132 HydrophobicContact CB-CB 4.49Å; K129-E132 HydrophobicContact CB-CG 4.35Å; K129-E132 WeakPolarHBondContact O-CB 3.42Å; K129-E132 PolarHBondContact O-N 3.37Å; K129-T157 PolarHBondContact N-O 3.23Å
130	L	98.5	Very high	96.9	Very high	39 Å²	39	51.6 Å²	51.6	20%	0.204	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-51.8	-23.5	173.1	-177.1	59.9	0	0	0	114	E132 E156 T157 A163	L130-E132 PolarHBondContact O-N 3.36Å; L130-E156 HydrophobicContact CD1-CB 4.23Å; L130-E156 WeakPolarHBondContact CD1-OE2 3.21Å; L130-E156 HydrophobicContact CD2-CB 4.3Å; L130-T157 WeakPolarHBondContact CB-O 3.16Å; L130-T157 PolarHBondContact N-O 3.18Å; L130-A163 HydrophobicContact CD2-CB 4.34Å
131	D	98.1	Very high	97.7	Very high	49 Å²	49	54.5 Å²	54.5	26%	0.262	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-71.3	-12.9	175.3	62.4	-81.3	0	0	0	114.6	K129 S158 K160 T161	K129-D131 PolarHBondContact O-N 3.07Å; D131-S158 WeakPolarHBondContact OD1-CB 3.25Å; D131-S158 PolarHBondContact OD1-OG 3.09Å; D131-K160 HydrophobicContact CB-CD 4.43Å; D131-K160 WeakPolarHBondContact OD2-CD 3.35Å; D131-K160 IonicContact OD2-NZ 2.91Å; D131-K160 PolarHBondContact OD2-NZ 2.78Å; D131-T161 HydrophobicContact CB-CG2 3.74Å
132	E	97.2	Very high	98	Very high	64 Å²	64	56.3 Å²	56.3	30%	0.299	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-100.3	34.7	-179.6	-63.1	-68.1	157.8	0	0	111.6	C96 K129 L130 R134 N135 R136 K160	C96-E132 WeakPolarHBondContact SG-CB 3.33Å; C96-E132 PolarHBondContact SG-O 2.96Å; K129-E132 HydrophobicContact CB-CB 4.49Å; K129-E132 HydrophobicContact CB-CG 4.35Å; K129-E132 WeakPolarHBondContact O-CB 3.42Å; K129-E132 PolarHBondContact O-N 3.37Å; L130-E132 PolarHBondContact O-N 3.36Å; E132-R134 PolarHBondContact O-N 2.95Å; E132-N135 CarbonylContact O-C 3.6Å; E132-N135 WeakPolarHBondContact O-CA 3.25Å; E132-N135 PolarHBondContact O-N 3.21Å; E132-N135 PolarHBondContact OE2-ND2 3.42Å; E132-N135 VanDerWaalsContact OE2-ND2 3.1Å; E132-R136 PolarHBondContact O-N 3.49Å; E132-K160 IonicContact OE1-NZ 2.91Å; E132-K160 PolarHBondContact OE1-NZ 2.95Å
133	E	97.2	Very high	98.1	Very high	99 Å²	99	55.8 Å²	55.8	46%	0.463	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-51.4	-35.1	-175.2	-169.2	60.7	-147.3	0	0	113.7	N135 R136	E133-N135 PolarHBondContact O-N 3.42Å; E133-R136 WeakPolarHBondContact O-CB 3.43Å; E133-R136 PolarHBondContact O-N 2.92Å; E133-R136 VanDerWaalsContact O-N 3.14Å; E133-R136 WeakPolarHBondContact OE1-CD 3.45Å; E133-R136 IonicContact OE1-CZ 2.78Å; E133-R136 IonicContact OE1-NE 2.62Å; E133-R136 PolarHBondContact OE1-NE 3.39Å; E133-R136 IonicContact OE1-NH2 2.72Å; E133-R136 IonicContact OE2-CZ 3.02Å; E133-R136 VanDerWaalsContact OE2-CZ 3.3Å; E133-R136 IonicContact OE2-NE 3.33Å; E133-R136 PolarHBondContact OE2-NE 2.74Å; E133-R136 IonicContact OE2-NH2 2.56Å; E133-R136 PolarHBondContact OE2-NH2 3.16Å
134	R	97.5	Very high	98.2	Very high	249 Å²	249	58.9 Å²	58.9	94%	0.94	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-63.5	-25.1	177.3	-63.7	-178	-176.5	179.8	0.4	113.4	E132	E132-R134 PolarHBondContact O-N 2.95Å
135	N	97.9	Very high	98.2	Very high	97 Å²	97	64.6 Å²	64.6	52%	0.519	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-104.5	11	-179.4	-60	-46.1	0	0	0	111.6	C96 E132 E133 M137	C96-N135 WeakPolarHBondContact CA-O 3.46Å; C96-N135 HydrophobicContact CB-CB 4.3Å; C96-N135 WeakPolarHBondContact CB-O 3.38Å; C96-N135 PolarHBondContact SG-O 3.49Å; E132-N135 CarbonylContact O-C 3.6Å; E132-N135 WeakPolarHBondContact O-CA 3.25Å; E132-N135 PolarHBondContact O-N 3.21Å; E132-N135 PolarHBondContact OE2-ND2 3.42Å; E132-N135 VanDerWaalsContact OE2-ND2 3.1Å; E133-N135 PolarHBondContact O-N 3.42Å; N135-M137 PolarHBondContact O-N 2.89Å
136	R	98.5	Very high	98.1	Very high	53 Å²	53	64.8 Å²	64.8	20%	0.2	29%	0.293	C	S	.	.			trans	-59.8	128.8	-178.3	178.1	-178.9	-73.1	-91.1	7.9	110.6	E132 E133 V138 E156	E132-R136 PolarHBondContact O-N 3.49Å; E133-R136 WeakPolarHBondContact O-CB 3.43Å; E133-R136 PolarHBondContact O-N 2.92Å; E133-R136 VanDerWaalsContact O-N 3.14Å; E133-R136 WeakPolarHBondContact OE1-CD 3.45Å; E133-R136 IonicContact OE1-CZ 2.78Å; E133-R136 IonicContact OE1-NE 2.62Å; E133-R136 PolarHBondContact OE1-NE 3.39Å; E133-R136 IonicContact OE1-NH2 2.72Å; E133-R136 IonicContact OE2-CZ 3.02Å; E133-R136 VanDerWaalsContact OE2-CZ 3.3Å; E133-R136 IonicContact OE2-NE 3.33Å; E133-R136 PolarHBondContact OE2-NE 2.74Å; E133-R136 IonicContact OE2-NH2 2.56Å; E133-R136 PolarHBondContact OE2-NH2 3.16Å; R136-V138 VanDerWaalsContact CD-O 3.28Å; R136-V138 WeakPolarHBondContact CD-O 3.23Å; R136-V138 WeakPolarHBondContact CG-O 3.48Å; R136-V138 PolarHBondContact NH1-O 3.14Å; R136-E156 IonicContact CZ-OE1 3.3Å; R136-E156 IonicContact CZ-OE2 2.66Å; R136-E156 IonicContact NH1-OE1 2.74Å; R136-E156 PolarHBondContact NH1-OE1 3.28Å; R136-E156 IonicContact NH1-OE2 2.76Å; R136-E156 PolarHBondContact NH1-OE2 2.87Å; R136-E156 IonicContact NH2-OE1 3.64Å; R136-E156 IonicContact NH2-OE2 3.01Å; R136-E156 PolarHBondContact NH2-OE2 2.96Å
137	M	98.5	Very high	98	Very high	113 Å²	113	65 Å²	65	56%	0.557	29%	0.294	S	S	*	.			trans	-110.7	-21.1	172.6	-64.3	-170.9	74.7	0	0	112.6	I95 C96 M98 N135	I95-M137 PolarHBondContact O-N 3.25Å; C96-M137 WeakPolarHBondContact O-CG 3.49Å; M98-M137 HydrophobicContact CB-CE 4.32Å; M98-M137 VanDerWaalsContact CE-O 3.23Å; M98-M137 WeakPolarHBondContact CE-O 3.3Å; N135-M137 PolarHBondContact O-N 2.89Å
138	V	98.3	Very high	97.9	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-116.3	120.1	179.9	-176.4	0	0	0	0	108.8	Y93 I95 M98 F101 R136 E142	Y93-V138 HydrophobicContact CE2-CB 4.05Å; Y93-V138 HydrophobicContact CE2-CG1 3.87Å; Y93-V138 HydrophobicContact CE2-CG2 4.38Å; I95-V138 PolarHBondContact O-N 3.32Å; M98-V138 HydrophobicContact CE-CG2 4.12Å; M98-V138 HydrophobicContact SD-CG2 4.05Å; F101-V138 HydrophobicContact CB-CG1 4.38Å; F101-V138 HydrophobicContact CB-CG2 3.7Å; F101-V138 HydrophobicContact CD1-CG1 3.98Å; F101-V138 HydrophobicContact CD1-CG2 4.21Å; F101-V138 HydrophobicContact CD2-CG1 3.78Å; F101-V138 HydrophobicContact CE1-CG1 4.15Å; F101-V138 HydrophobicContact CE2-CG1 3.95Å; F101-V138 HydrophobicContact CG-CG1 3.78Å; F101-V138 HydrophobicContact CG-CG2 3.94Å; F101-V138 HydrophobicContact CZ-CG1 4.13Å; R136-V138 VanDerWaalsContact CD-O 3.28Å; R136-V138 WeakPolarHBondContact CD-O 3.23Å; R136-V138 WeakPolarHBondContact CG-O 3.48Å; R136-V138 PolarHBondContact NH1-O 3.14Å; V138-E142 HydrophobicContact CG1-CB 4.09Å
139	S	98.1	Very high	97.7	Very high	44 Å²	44	79.5 Å²	79.5	31%	0.308	36%	0.359	S	S	.	.			trans	-71.9	151.7	178.3	66.5	0	0	0	0	112.1	K141 E142 G143	S139-K141 PolarHBondContact O-N 2.91Å; S139-E142 WeakPolarHBondContact CB-OE2 3.13Å; S139-E142 PolarHBondContact N-OE2 3.11Å; S139-E142 PolarHBondContact O-N 2.92Å; S139-E142 VanDerWaalsContact OG-CG 3.25Å; S139-E142 WeakPolarHBondContact OG-CG 3.43Å; S139-E142 PolarHBondContact OG-N 2.83Å; S139-E142 PolarHBondContact OG-OE2 2.97Å; S139-G143 PolarHBondContact O-N 2.79Å
140	K	98.1	Very high	97.3	Very high	62 Å²	62	78.6 Å²	78.6	27%	0.27	36%	0.358	S	S	.	.	H	α-helix	trans	-51.6	-42	172.3	-170.5	-174.5	177.6	-172	0	111.1	E142 G143 E144 F154 I236	K140-E142 VanDerWaalsContact C-N 3.35Å; K140-E142 PolarHBondContact O-N 3.03Å; K140-G143 PolarHBondContact O-N 3.18Å; K140-G143 VanDerWaalsContact O-N 3.17Å; K140-E144 WeakPolarHBondContact CE-OE1 3.2Å; K140-E144 HydrophobicContact CG-CG 4.45Å; K140-E144 IonicContact NZ-OE1 3.56Å; K140-E144 WeakPolarHBondContact O-CG 3.24Å; K140-E144 PolarHBondContact O-N 3.13Å; K140-F154 HydrophobicContact CG-CE1 3.91Å; K140-I236 VanDerWaalsContact NZ-CG2 3.32Å; K140-I236 PolarHBondContact NZ-OXT 2.98Å
141	K	98.2	Very high	97	Very high	163 Å²	163	80.7 Å²	80.7	71%	0.709	37%	0.369	S	S	*	.	H	α-helix	trans	-61.7	-37.2	178.6	-172.8	176.9	-179.2	179.1	0	113.2	S139 R145	S139-K141 PolarHBondContact O-N 2.91Å; K141-R145 WeakPolarHBondContact O-CB 3.47Å; K141-R145 PolarHBondContact O-N 2.86Å
142	E	98.2	Very high	96.9	Very high	66 Å²	66	79 Å²	79	31%	0.308	36%	0.362	S	S	.	.	H	α-helix	trans	-67.8	-42	174.9	-75.2	164.8	120.3	0	0	111.6	F101 V138 S139 K140 R145 L146	F101-E142 HydrophobicContact CE1-CB 4.34Å; F101-E142 HydrophobicContact CZ-CB 4.06Å; V138-E142 HydrophobicContact CG1-CB 4.09Å; S139-E142 WeakPolarHBondContact CB-OE2 3.13Å; S139-E142 PolarHBondContact N-OE2 3.11Å; S139-E142 PolarHBondContact O-N 2.92Å; S139-E142 VanDerWaalsContact OG-CG 3.25Å; S139-E142 WeakPolarHBondContact OG-CG 3.43Å; S139-E142 PolarHBondContact OG-N 2.83Å; S139-E142 PolarHBondContact OG-OE2 2.97Å; K140-E142 VanDerWaalsContact C-N 3.35Å; K140-E142 PolarHBondContact O-N 3.03Å; E142-R145 PolarHBondContact O-N 2.93Å; E142-L146 WeakPolarHBondContact O-CB 3.43Å; E142-L146 PolarHBondContact O-N 3.11Å
143	G	98.1	Very high	96.9	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.3	-52.2	173	0	0	0	0	0	112.5	L125 S139 K140 R145 L146 A147	L125-G143 WeakPolarHBondContact CD2-O 3.39Å; S139-G143 PolarHBondContact O-N 2.79Å; K140-G143 PolarHBondContact O-N 3.18Å; K140-G143 VanDerWaalsContact O-N 3.17Å; G143-R145 VanDerWaalsContact C-N 3.34Å; G143-R145 PolarHBondContact O-N 3.35Å; G143-L146 PolarHBondContact O-N 3.15Å; G143-A147 WeakPolarHBondContact O-CB 3.35Å; G143-A147 PolarHBondContact O-N 3.43Å
144	E	98.3	Very high	96.9	Very high	82 Å²	82	71.9 Å²	71.9	38%	0.383	33%	0.329	S	S	.	.	H	α-helix	trans	-58.1	-44.2	176.3	-71.4	169.4	171.5	0	0	112.2	K140 L146 A147 K148 F154	K140-E144 WeakPolarHBondContact CE-OE1 3.2Å; K140-E144 HydrophobicContact CG-CG 4.45Å; K140-E144 IonicContact NZ-OE1 3.56Å; K140-E144 WeakPolarHBondContact O-CG 3.24Å; K140-E144 PolarHBondContact O-N 3.13Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 3.35Å; E144-A147 PolarHBondContact O-N 2.88Å; E144-K148 WeakPolarHBondContact O-CB 3.33Å; E144-K148 PolarHBondContact O-N 2.82Å; E144-F154 HydrophobicContact CB-CD1 4.37Å; E144-F154 HydrophobicContact CG-CD1 3.48Å; E144-F154 VanDerWaalsContact CG-CD1 3.48Å; E144-F154 HydrophobicContact CG-CE1 3.69Å; E144-F154 HydrophobicContact CG-CG 4.4Å
145	R	98.1	Very high	97	Very high	120 Å²	120	60.7 Å²	60.7	45%	0.453	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-45.2	177.8	-173.7	-172.2	66.9	70.2	3.6	110.7	K141 E142 G143 Q149	K141-R145 WeakPolarHBondContact O-CB 3.47Å; K141-R145 PolarHBondContact O-N 2.86Å; E142-R145 PolarHBondContact O-N 2.93Å; G143-R145 VanDerWaalsContact C-N 3.34Å; G143-R145 PolarHBondContact O-N 3.35Å; R145-Q149 VanDerWaalsContact O-CG 3.3Å; R145-Q149 WeakPolarHBondContact O-CG 3.33Å; R145-Q149 PolarHBondContact O-N 2.87Å; R145-Q149 VanDerWaalsContact O-N 3.08Å
146	L	96.7	Very high	97	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-46.4	178.7	-177.4	59.1	0	0	0	111.1	F101 I104 L125 E142 G143 E144 K148 Q149 T150	F101-L146 HydrophobicContact CD2-CD2 4.06Å; F101-L146 HydrophobicContact CE1-CD2 4.42Å; F101-L146 HydrophobicContact CE2-CB 4.07Å; F101-L146 HydrophobicContact CE2-CD2 3.39Å; F101-L146 HydrophobicContact CE2-CG 4.38Å; F101-L146 HydrophobicContact CZ-CB 3.92Å; F101-L146 HydrophobicContact CZ-CD2 3.61Å; F101-L146 HydrophobicContact CZ-CG 4.4Å; I104-L146 HydrophobicContact CB-CD2 3.94Å; I104-L146 HydrophobicContact CG1-CD2 4.47Å; I104-L146 HydrophobicContact CG2-CD2 3.58Å; I104-L146 HydrophobicContact CG2-CG 4.38Å; L125-L146 HydrophobicContact CD2-CB 4.1Å; L125-L146 HydrophobicContact CD2-CD2 4.13Å; L125-L146 HydrophobicContact CD2-CG 4.13Å; E142-L146 WeakPolarHBondContact O-CB 3.43Å; E142-L146 PolarHBondContact O-N 3.11Å; G143-L146 PolarHBondContact O-N 3.15Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-L146 PolarHBondContact O-N 3.35Å; L146-K148 VanDerWaalsContact C-N 3.31Å; L146-K148 PolarHBondContact O-N 2.65Å; L146-Q149 WeakPolarHBondContact O-CB 3.47Å; L146-Q149 PolarHBondContact O-N 2.78Å; L146-T150 HydrophobicContact CD1-CG2 4.02Å; L146-T150 PolarHBondContact O-N 2.92Å; L146-T150 PolarHBondContact O-OG1 3.02Å; L146-T150 VanDerWaalsContact O-OG1 3.09Å
147	A	97.4	Very high	97	Very high	3 Å²	3	54 Å²	54	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-57.5	-44.1	177.5	0	0	0	0	0	112	L125 G143 E144 Q149 T150 D151 A152 F154	L125-A147 HydrophobicContact CB-CB 4.26Å; L125-A147 HydrophobicContact CD2-CB 4.02Å; G143-A147 WeakPolarHBondContact O-CB 3.35Å; G143-A147 PolarHBondContact O-N 3.43Å; E144-A147 PolarHBondContact O-N 2.88Å; A147-Q149 VanDerWaalsContact C-N 3.32Å; A147-Q149 PolarHBondContact O-N 2.79Å; A147-T150 CarbonylContact O-C 3.54Å; A147-T150 PolarHBondContact O-N 2.98Å; A147-T150 PolarHBondContact O-OG1 2.82Å; A147-D151 PolarHBondContact O-N 2.72Å; A147-A152 HydrophobicContact CB-CB 4.33Å; A147-A152 PolarHBondContact O-N 2.78Å; A147-F154 HydrophobicContact CB-CB 3.67Å; A147-F154 HydrophobicContact CB-CD2 4.35Å; A147-F154 HydrophobicContact CB-CG 4.28Å
148	K	96.4	Very high	97	Very high	185 Å²	185	48.7 Å²	48.7	80%	0.804	23%	0.228	S	C	*	.	H	α-helix	trans	-60.9	-40.2	174.6	-174.9	176.9	-179.6	177.7	0	112.3	E144 L146 T150	E144-K148 WeakPolarHBondContact O-CB 3.33Å; E144-K148 PolarHBondContact O-N 2.82Å; L146-K148 VanDerWaalsContact C-N 3.31Å; L146-K148 PolarHBondContact O-N 2.65Å; K148-T150 VanDerWaalsContact C-N 3.32Å
149	Q	94.2	Very high	97	Very high	124 Å²	124	48.8 Å²	48.8	58%	0.579	23%	0.229	S	C	*	.	H	α-helix	trans	-68.1	-31.8	177.7	-74.8	179.3	-23	0	0	112.8	R145 L146 A147	R145-Q149 VanDerWaalsContact O-CG 3.3Å; R145-Q149 WeakPolarHBondContact O-CG 3.33Å; R145-Q149 PolarHBondContact O-N 2.87Å; R145-Q149 VanDerWaalsContact O-N 3.08Å; L146-Q149 WeakPolarHBondContact O-CB 3.47Å; L146-Q149 PolarHBondContact O-N 2.78Å; A147-Q149 VanDerWaalsContact C-N 3.32Å; A147-Q149 PolarHBondContact O-N 2.79Å
150	T	89.9	Confident	97	Very high	33 Å²	33	51 Å²	51	20%	0.202	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	12.4	-178	61.4	0	0	0	0	113.7	M108 L146 A147 K148 A152	M108-T150 HydrophobicContact CE-CG2 3.95Å; M108-T150 HydrophobicContact CG-CG2 4.41Å; L146-T150 HydrophobicContact CD1-CG2 4.02Å; L146-T150 PolarHBondContact O-N 2.92Å; L146-T150 PolarHBondContact O-OG1 3.02Å; L146-T150 VanDerWaalsContact O-OG1 3.09Å; A147-T150 CarbonylContact O-C 3.54Å; A147-T150 PolarHBondContact O-N 2.98Å; A147-T150 PolarHBondContact O-OG1 2.82Å; K148-T150 VanDerWaalsContact C-N 3.32Å; T150-A152 PolarHBondContact O-N 2.89Å
151	D	91.5	Very high	96.9	Very high	82 Å²	82	52.4 Å²	52.4	44%	0.439	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	30.7	-179	-151.7	49	0	0	0	114.5	A147 R229	A147-D151 PolarHBondContact O-N 2.72Å; D151-R229 IonicContact OD1-CZ 3.65Å; D151-R229 IonicContact OD1-NH1 3.6Å; D151-R229 PolarHBondContact OD1-NH1 3.14Å; D151-R229 IonicContact OD1-NH2 2.81Å; D151-R229 PolarHBondContact OD1-NH2 3.1Å; D151-R229 IonicContact OD2-CZ 3.99Å; D151-R229 IonicContact OD2-NH1 2.73Å; D151-R229 IonicContact OD2-NH2 2.79Å; D151-R229 PolarHBondContact OD2-NH2 3.32Å
152	A	95.8	Very high	96.9	Very high	13 Å²	13	45.6 Å²	45.6	11%	0.107	22%	0.223	C	C	.	.			trans	-101.7	154	-176.7	0	0	0	0	0	112.3	I123 L125 A147 T150	I123-A152 HydrophobicContact CB-CB 4.03Å; I123-A152 HydrophobicContact CG2-CB 3.82Å; I123-A152 CarbonylContact O-C 3.51Å; I123-A152 WeakPolarHBondContact O-CA 3.01Å; L125-A152 HydrophobicContact CB-CB 4.38Å; A147-A152 HydrophobicContact CB-CB 4.33Å; A147-A152 PolarHBondContact O-N 2.78Å; T150-A152 PolarHBondContact O-N 2.89Å
153	L	97.3	Very high	96.9	Very high	4 Å²	4	44 Å²	44	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	154.4	160.1	-61.4	-177.5	0	0	0	109.6	L122 I123 I124 L125 R229	L122-L153 HydrophobicContact CD1-CD1 3.9Å; L122-L153 HydrophobicContact CD1-CG 4.1Å; L122-L153 HydrophobicContact CD2-CD1 4.29Å; L122-L153 HydrophobicContact CG-CD1 4.45Å; I123-L153 PolarHBondContact O-N 3.25Å; I124-L153 CarbonylContact C-O 3.6Å; I124-L153 WeakPolarHBondContact CA-O 3.41Å; I124-L153 HydrophobicContact CG1-CB 4.23Å; I124-L153 HydrophobicContact CG1-CD1 4.38Å; I124-L153 HydrophobicContact CG2-CB 4.29Å; L125-L153 PolarHBondContact N-O 2.79Å; L153-R229 HydrophobicContact CD2-CB 4.43Å; L153-R229 HydrophobicContact CD2-CG 3.71Å
154	F	98.5	Very high	96.9	Very high	10 Å²	10	47 Å²	47	4%	0.044	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.2	179.6	-178.5	-115.7	0	0	0	111.5	Y93 L125 K140 E144 A147 E156	Y93-F154 HydrophobicContact CE1-CE2 4.25Å; Y93-F154 WeakPolarHBondContact OH-CE2 3.41Å; L125-F154 HydrophobicContact CB-CD2 4.2Å; L125-F154 HydrophobicContact CD2-CD2 4.03Å; L125-F154 HydrophobicContact CD2-CE2 4.35Å; L125-F154 HydrophobicContact CG-CD2 4.05Å; L125-F154 HydrophobicContact CG-CE2 4.4Å; L125-F154 WeakPolarHBondContact O-CA 3.44Å; K140-F154 HydrophobicContact CG-CE1 3.91Å; E144-F154 HydrophobicContact CB-CD1 4.37Å; E144-F154 HydrophobicContact CG-CD1 3.48Å; E144-F154 VanDerWaalsContact CG-CD1 3.48Å; E144-F154 HydrophobicContact CG-CE1 3.69Å; E144-F154 HydrophobicContact CG-CG 4.4Å; A147-F154 HydrophobicContact CB-CB 3.67Å; A147-F154 HydrophobicContact CB-CD2 4.35Å; A147-F154 HydrophobicContact CB-CG 4.28Å; F154-E156 HydrophobicContact CE1-CG 3.95Å; F154-E156 HydrophobicContact CE2-CG 4.41Å; F154-E156 HydrophobicContact CZ-CG 3.55Å
155	W	98.7	Very high	97	Very high	14 Å²	14	43.1 Å²	43.1	5%	0.053	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.4	172.5	-74.2	85.1	0	0	0	110.1	L125 V126 G127 T157 H164 M168 C171 C232 I236	L125-W155 PolarHBondContact O-N 2.9Å; V126-W155 CarbonylContact C-O 3.59Å; V126-W155 VanDerWaalsContact CA-O 3.32Å; V126-W155 WeakPolarHBondContact CA-O 3.32Å; G127-W155 PolarHBondContact N-O 3.39Å; W155-T157 HydrophobicContact CB-CG2 4.35Å; W155-H164 HydrophobicContact CE3-CB 3.91Å; W155-H164 HydrophobicContact CZ3-CB 4.1Å; W155-M168 HydrophobicContact CB-CB 4.46Å; W155-M168 HydrophobicContact CB-CG 4.1Å; W155-M168 HydrophobicContact CB-SD 3.87Å; W155-M168 HydrophobicContact CD2-CB 3.82Å; W155-M168 HydrophobicContact CD2-CG 4.07Å; W155-M168 HydrophobicContact CE3-CB 4.13Å; W155-M168 HydrophobicContact CG-CB 3.96Å; W155-M168 HydrophobicContact CG-CG 3.69Å; W155-M168 HydrophobicContact CG-SD 4.13Å; W155-C171 HydrophobicContact CZ2-CB 3.88Å; W155-C232 HydrophobicContact CZ2-CB 3.98Å; W155-I236 HydrophobicContact CD2-CD1 4.31Å; W155-I236 HydrophobicContact CE3-CD1 3.77Å; W155-I236 HydrophobicContact CZ3-CD1 3.98Å; W155-I236 HydrophobicContact CZ3-CG1 4.3Å
156	E	98.7	Very high	96.9	Very high	11 Å²	11	40.5 Å²	40.5	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.7	159.5	-65	-166.6	152.9	0	0	109.7	G127 L130 R136 F154 H164	G127-E156 CarbonylContact O-C 3.49Å; G127-E156 WeakPolarHBondContact O-CA 3.13Å; L130-E156 HydrophobicContact CD1-CB 4.23Å; L130-E156 WeakPolarHBondContact CD1-OE2 3.21Å; L130-E156 HydrophobicContact CD2-CB 4.3Å; R136-E156 IonicContact CZ-OE1 3.3Å; R136-E156 IonicContact CZ-OE2 2.66Å; R136-E156 IonicContact NH1-OE1 2.74Å; R136-E156 PolarHBondContact NH1-OE1 3.28Å; R136-E156 IonicContact NH1-OE2 2.76Å; R136-E156 PolarHBondContact NH1-OE2 2.87Å; R136-E156 IonicContact NH2-OE1 3.64Å; R136-E156 IonicContact NH2-OE2 3.01Å; R136-E156 PolarHBondContact NH2-OE2 2.96Å; F154-E156 HydrophobicContact CE1-CG 3.95Å; F154-E156 HydrophobicContact CE2-CG 4.41Å; F154-E156 HydrophobicContact CZ-CG 3.55Å; E156-H164 WeakPolarHBondContact O-CB 3.34Å; E156-H164 PolarHBondContact O-ND1 3.11Å
157	T	98.8	Very high	97	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	160.1	-173.5	61.9	0	0	0	0	111.6	L28 V126 G127 N128 K129 L130 W155 A163 H164 M168	L28-T157 WeakPolarHBondContact CD2-OG1 3.32Å; V126-T157 HydrophobicContact CG1-CG2 3.93Å; V126-T157 WeakPolarHBondContact CG1-OG1 3.48Å; G127-T157 PolarHBondContact O-N 3.34Å; N128-T157 CarbonylContact C-O 3.59Å; N128-T157 WeakPolarHBondContact CA-O 3.47Å; N128-T157 PolarHBondContact OD1-O 3.28Å; N128-T157 PolarHBondContact OD1-OG1 3.31Å; K129-T157 PolarHBondContact N-O 3.23Å; L130-T157 WeakPolarHBondContact CB-O 3.16Å; L130-T157 PolarHBondContact N-O 3.18Å; W155-T157 HydrophobicContact CB-CG2 4.35Å; T157-A163 CarbonylContact C-O 3.6Å; T157-A163 VanDerWaalsContact CA-O 3.29Å; T157-A163 WeakPolarHBondContact CA-O 3.13Å; T157-H164 HydrophobicContact CG2-CB 4.24Å; T157-M168 HydrophobicContact CG2-CE 4.12Å; T157-M168 HydrophobicContact CG2-SD 3.87Å
158	S	98.5	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.			trans	-127	114.5	161.8	171.5	0	0	0	0	110.5	D131 K160 T161 G162 A163	D131-S158 WeakPolarHBondContact OD1-CB 3.25Å; D131-S158 PolarHBondContact OD1-OG 3.09Å; S158-K160 PolarHBondContact O-N 3.41Å; S158-K160 PolarHBondContact OG-N 3.43Å; S158-K160 VanDerWaalsContact OG-N 3.14Å; S158-T161 VanDerWaalsContact CB-OG1 3.23Å; S158-T161 WeakPolarHBondContact CB-OG1 3.23Å; S158-T161 PolarHBondContact OG-N 2.86Å; S158-T161 PolarHBondContact OG-OG1 3.24Å; S158-G162 CarbonylContact O-C 3.52Å; S158-G162 WeakPolarHBondContact O-CA 3.45Å; S158-G162 PolarHBondContact O-N 2.93Å; S158-A163 PolarHBondContact N-O 3.19Å; S158-A163 PolarHBondContact O-N 3.04Å
159	A	97.6	Very high	97.1	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.025	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29	167.8	0	0	0	0	0	112.5	L28 R31 F37 N128	L28-A159 HydrophobicContact CD2-CB 3.98Å; L28-A159 HydrophobicContact CG-CB 4.15Å; R31-A159 PolarHBondContact NE-O 2.93Å; F37-A159 HydrophobicContact CD2-CB 4.2Å; F37-A159 WeakPolarHBondContact CD2-O 3.38Å; F37-A159 HydrophobicContact CE2-CB 4.31Å; N128-A159 PolarHBondContact OD1-N 2.96Å
160	K	97.3	Very high	97.3	Very high	91 Å²	91	31.6 Å²	31.6	40%	0.396	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-46.3	-176.7	-172.8	-166.2	-172.1	175.9	0	111.9	R31 F37 D131 E132 S158	R31-K160 PolarHBondContact NH2-O 2.95Å; F37-K160 HydrophobicContact CD1-CB 4.37Å; F37-K160 HydrophobicContact CD1-CG 4.04Å; F37-K160 HydrophobicContact CD2-CB 4.18Å; F37-K160 HydrophobicContact CE1-CB 4.32Å; F37-K160 HydrophobicContact CE1-CG 3.99Å; F37-K160 HydrophobicContact CE2-CB 4.12Å; F37-K160 HydrophobicContact CG-CB 4.3Å; F37-K160 HydrophobicContact CG-CG 4.41Å; F37-K160 HydrophobicContact CZ-CB 4.19Å; F37-K160 HydrophobicContact CZ-CG 4.31Å; D131-K160 HydrophobicContact CB-CD 4.43Å; D131-K160 WeakPolarHBondContact OD2-CD 3.35Å; D131-K160 IonicContact OD2-NZ 2.91Å; D131-K160 PolarHBondContact OD2-NZ 2.78Å; E132-K160 IonicContact OE1-NZ 2.91Å; E132-K160 PolarHBondContact OE1-NZ 2.95Å; S158-K160 PolarHBondContact O-N 3.41Å; S158-K160 PolarHBondContact OG-N 3.43Å; S158-K160 VanDerWaalsContact OG-N 3.14Å
161	T	97.6	Very high	97.6	Very high	90 Å²	90	30.5 Å²	30.5	55%	0.552	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-18.2	-179.8	65.2	0	0	0	0	113.1	D131 S158 A163	D131-T161 HydrophobicContact CB-CG2 3.74Å; S158-T161 VanDerWaalsContact CB-OG1 3.23Å; S158-T161 WeakPolarHBondContact CB-OG1 3.23Å; S158-T161 PolarHBondContact OG-N 2.86Å; S158-T161 PolarHBondContact OG-OG1 3.24Å; T161-A163 VanDerWaalsContact C-N 3.33Å; T161-A163 WeakPolarHBondContact OG1-CB 3.28Å; T161-A163 PolarHBondContact OG1-N 2.08Å
162	G	98	Very high	97.9	Very high	21 Å²	21	26.6 Å²	26.6	22%	0.216	15%	0.153	C	C	.	.			trans	87.7	-1.2	-171.8	0	0	0	0	0	113.7	S158 H164 V165	S158-G162 CarbonylContact O-C 3.52Å; S158-G162 WeakPolarHBondContact O-CA 3.45Å; S158-G162 PolarHBondContact O-N 2.93Å; G162-H164 PolarHBondContact O-N 3.44Å; G162-H164 VanDerWaalsContact O-N 3.15Å; G162-V165 PolarHBondContact O-N 3.41Å
163	A	98.5	Very high	98	Very high	32 Å²	32	26 Å²	26	26%	0.264	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	122.4	-177.8	0	0	0	0	0	111.5	L130 T157 S158 T161 V165	L130-A163 HydrophobicContact CD2-CB 4.34Å; T157-A163 CarbonylContact C-O 3.6Å; T157-A163 VanDerWaalsContact CA-O 3.29Å; T157-A163 WeakPolarHBondContact CA-O 3.13Å; S158-A163 PolarHBondContact N-O 3.19Å; S158-A163 PolarHBondContact O-N 3.04Å; T161-A163 VanDerWaalsContact C-N 3.33Å; T161-A163 WeakPolarHBondContact OG1-CB 3.28Å; T161-A163 PolarHBondContact OG1-N 2.08Å; A163-V165 PolarHBondContact O-N 3.17Å
164	H	98.4	Very high	98	Very high	64 Å²	64	28.9 Å²	28.9	30%	0.296	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	3.9	178.2	-48.6	151	0	0	0	117	W155 E156 T157 G162 M168	W155-H164 HydrophobicContact CE3-CB 3.91Å; W155-H164 HydrophobicContact CZ3-CB 4.1Å; E156-H164 WeakPolarHBondContact O-CB 3.34Å; E156-H164 PolarHBondContact O-ND1 3.11Å; T157-H164 HydrophobicContact CG2-CB 4.24Å; G162-H164 PolarHBondContact O-N 3.44Å; G162-H164 VanDerWaalsContact O-N 3.15Å; H164-M168 WeakPolarHBondContact O-CB 3.48Å; H164-M168 PolarHBondContact O-N 2.88Å
165	V	98.5	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-54.8	-176.7	177.7	0	0	0	0	110.8	L28 R31 F32 G162 A163 M168 F169	L28-V165 HydrophobicContact CD2-CG1 4.44Å; L28-V165 HydrophobicContact CD2-CG2 3.72Å; R31-V165 HydrophobicContact CB-CG1 4.46Å; R31-V165 HydrophobicContact CG-CB 4.18Å; R31-V165 HydrophobicContact CG-CG1 4.04Å; R31-V165 HydrophobicContact CG-CG2 4.04Å; F32-V165 HydrophobicContact CB-CG1 3.79Å; G162-V165 PolarHBondContact O-N 3.41Å; A163-V165 PolarHBondContact O-N 3.17Å; V165-M168 PolarHBondContact O-N 3.4Å; V165-F169 HydrophobicContact CG1-CD2 4.17Å; V165-F169 HydrophobicContact CG1-CE2 4.2Å; V165-F169 WeakPolarHBondContact O-CD2 3.21Å; V165-F169 PolarHBondContact O-N 3.5Å
166	D	97.3	Very high	97.7	Very high	65 Å²	65	28.3 Å²	28.3	35%	0.348	16%	0.159	S	C	.	.	H	α-helix	trans	-62.8	-46.6	178.6	-74.4	-73.2	0	0	0	111.5	F32 M168 F169 H170	F32-D166 WeakPolarHBondContact CD2-OD1 3.4Å; D166-M168 VanDerWaalsContact C-N 3.3Å; D166-M168 PolarHBondContact O-N 3.39Å; D166-F169 PolarHBondContact O-N 3.29Å; D166-H170 PolarHBondContact O-N 2.95Å; D166-H170 PolarHBondContact O-ND1 2.77Å
167	S	97.7	Very high	97.5	Very high	70 Å²	70	28.3 Å²	28.3	49%	0.49	16%	0.16	S	C	.	.	H	α-helix	trans	-56.9	-42.5	179.9	-51.1	0	0	0	0	112.5	H170 C171	S167-H170 PolarHBondContact O-N 3.15Å; S167-C171 PolarHBondContact O-N 3.32Å
168	M	98.5	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-50.6	176.2	177.5	-174.4	67.6	0	0	111.5	L90 I124 V126 W155 T157 H164 V165 D166 H170 C171 I172	L90-M168 HydrophobicContact CD2-CE 3.84Å; L90-M168 HydrophobicContact CD2-SD 4.49Å; I124-M168 HydrophobicContact CG2-SD 4.38Å; V126-M168 HydrophobicContact CB-SD 4.39Å; V126-M168 HydrophobicContact CG1-CE 4.43Å; V126-M168 HydrophobicContact CG1-SD 3.9Å; V126-M168 HydrophobicContact CG2-CE 4.42Å; V126-M168 HydrophobicContact CG2-SD 3.55Å; V126-M168 VanDerWaalsContact CG2-SD 3.55Å; W155-M168 HydrophobicContact CB-CB 4.46Å; W155-M168 HydrophobicContact CB-CG 4.1Å; W155-M168 HydrophobicContact CB-SD 3.87Å; W155-M168 HydrophobicContact CD2-CB 3.82Å; W155-M168 HydrophobicContact CD2-CG 4.07Å; W155-M168 HydrophobicContact CE3-CB 4.13Å; W155-M168 HydrophobicContact CG-CB 3.96Å; W155-M168 HydrophobicContact CG-CG 3.69Å; W155-M168 HydrophobicContact CG-SD 4.13Å; T157-M168 HydrophobicContact CG2-CE 4.12Å; T157-M168 HydrophobicContact CG2-SD 3.87Å; H164-M168 WeakPolarHBondContact O-CB 3.48Å; H164-M168 PolarHBondContact O-N 2.88Å; V165-M168 PolarHBondContact O-N 3.4Å; D166-M168 VanDerWaalsContact C-N 3.3Å; D166-M168 PolarHBondContact O-N 3.39Å; M168-H170 VanDerWaalsContact C-N 3.31Å; M168-H170 PolarHBondContact O-N 3.5Å; M168-C171 PolarHBondContact O-N 3.39Å; M168-I172 HydrophobicContact CG-CD1 3.99Å; M168-I172 VanDerWaalsContact O-CG1 3.27Å; M168-I172 WeakPolarHBondContact O-CG1 3.38Å; M168-I172 PolarHBondContact O-N 2.79Å
169	F	98.2	Very high	96.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-32	-179.5	-82.5	-75.5	0	0	0	113	L15 F32 L64 I66 L90 V165 D166 A173	L15-F169 HydrophobicContact CD2-CD1 3.93Å; L15-F169 HydrophobicContact CD2-CE1 3.87Å; F32-F169 HydrophobicContact CB-CD2 3.77Å; F32-F169 HydrophobicContact CB-CE2 3.69Å; F32-F169 HydrophobicContact CB-CZ 4.49Å; F32-F169 HydrophobicContact CD1-CB 4.39Å; F32-F169 HydrophobicContact CD1-CD1 4.04Å; F32-F169 AromaticContact CD1-CD2 3.75Å; F32-F169 HydrophobicContact CD1-CD2 3.75Å; F32-F169 HydrophobicContact CD1-CE1 4.22Å; F32-F169 AromaticContact CD1-CE2 3.95Å; F32-F169 HydrophobicContact CD1-CE2 3.95Å; F32-F169 AromaticContact CD1-CG 3.81Å; F32-F169 HydrophobicContact CD1-CG 3.81Å; F32-F169 HydrophobicContact CD1-CZ 4.18Å; F32-F169 HydrophobicContact CD2-CB 3.82Å; F32-F169 AromaticContact CD2-CD2 3.56Å; F32-F169 HydrophobicContact CD2-CD2 3.56Å; F32-F169 HydrophobicContact CD2-CE2 4.34Å; F32-F169 AromaticContact CD2-CG 3.85Å; F32-F169 HydrophobicContact CD2-CG 3.85Å; F32-F169 HydrophobicContact CE1-CB 3.99Å; F32-F169 AromaticContact CE1-CD1 3.88Å; F32-F169 HydrophobicContact CE1-CD1 3.88Å; F32-F169 HydrophobicContact CE1-CD2 4.19Å; F32-F169 HydrophobicContact CE1-CE1 4.4Å; F32-F169 AromaticContact CE1-CG 3.77Å; F32-F169 HydrophobicContact CE1-CG 3.77Å; F32-F169 HydrophobicContact CE2-CB 3.37Å; F32-F169 HydrophobicContact CE2-CD2 4.03Å; F32-F169 AromaticContact CE2-CG 3.82Å; F32-F169 HydrophobicContact CE2-CG 3.82Å; F32-F169 HydrophobicContact CG-CB 4.31Å; F32-F169 HydrophobicContact CG-CD1 4.5Å; F32-F169 AromaticContact CG-CD2 3.39Å; F32-F169 HydrophobicContact CG-CD2 3.39Å; F32-F169 AromaticContact CG-CE2 3.73Å; F32-F169 HydrophobicContact CG-CE2 3.73Å; F32-F169 AromaticContact CG-CG 3.83Å; F32-F169 HydrophobicContact CG-CG 3.83Å; F32-F169 HydrophobicContact CG-CZ 4.41Å; F32-F169 HydrophobicContact CZ-CB 3.45Å; F32-F169 VanDerWaalsContact CZ-CB 3.45Å; F32-F169 HydrophobicContact CZ-CD1 4.22Å; F32-F169 HydrophobicContact CZ-CD2 4.31Å; F32-F169 AromaticContact CZ-CG 3.77Å; F32-F169 HydrophobicContact CZ-CG 3.77Å; L64-F169 HydrophobicContact CD1-CD1 4.26Å; I66-F169 HydrophobicContact CD1-CD1 4.31Å; I66-F169 HydrophobicContact CD1-CE1 3.79Å; I66-F169 HydrophobicContact CD1-CZ 4.35Å; L90-F169 HydrophobicContact CD2-CE1 3.71Å; L90-F169 HydrophobicContact CD2-CE2 4.43Å; L90-F169 HydrophobicContact CD2-CZ 3.65Å; V165-F169 HydrophobicContact CG1-CD2 4.17Å; V165-F169 HydrophobicContact CG1-CE2 4.2Å; V165-F169 WeakPolarHBondContact O-CD2 3.21Å; V165-F169 PolarHBondContact O-N 3.5Å; D166-F169 PolarHBondContact O-N 3.29Å; F169-A173 PolarHBondContact O-N 3.22Å
170	H	97.2	Very high	96.5	Very high	61 Å²	61	36.2 Å²	36.2	28%	0.282	20%	0.195	S	C	.	.	H	α-helix	trans	-68.6	-46.5	172.5	-71.7	86.1	0	0	0	111.6	D166 S167 M168 I172 A173 E174	D166-H170 PolarHBondContact O-N 2.95Å; D166-H170 PolarHBondContact O-ND1 2.77Å; S167-H170 PolarHBondContact O-N 3.15Å; M168-H170 VanDerWaalsContact C-N 3.31Å; M168-H170 PolarHBondContact O-N 3.5Å; H170-I172 PolarHBondContact O-N 2.73Å; H170-A173 PolarHBondContact O-N 3.49Å; H170-A173 VanDerWaalsContact O-N 3.07Å; H170-E174 WeakPolarHBondContact O-CG 3.31Å; H170-E174 PolarHBondContact O-N 3.4Å
171	C	97.2	Very high	96	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-56.5	-40.5	173.8	167.2	0	0	0	0	110.8	W155 S167 M168 H175 C232	W155-C171 HydrophobicContact CZ2-CB 3.88Å; S167-C171 PolarHBondContact O-N 3.32Å; M168-C171 PolarHBondContact O-N 3.39Å; C171-H175 WeakPolarHBondContact O-CB 3.46Å; C171-H175 PolarHBondContact O-N 3.19Å; C171-C232 WeakPolarHBondContact CB-SG 3.45Å; C171-C232 WeakPolarHBondContact SG-CB 3.45Å; C171-C232 CovalentContact SG-SG 2.08Å; C171-C232 PolarHBondContact SG-SG 3.35Å
172	I	98	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-47.9	175	-68.6	166.8	0	0	0	111.4	L15 A88 L90 L122 I124 M168 H170 E174 H175 L176	L15-I172 HydrophobicContact CD2-CG2 4.05Å; L15-I172 HydrophobicContact CG-CG2 4.46Å; A88-I172 HydrophobicContact CB-CG2 4.26Å; L90-I172 HydrophobicContact CD1-CD1 3.99Å; L90-I172 HydrophobicContact CD2-CD1 4.06Å; L90-I172 HydrophobicContact CG-CD1 4.04Å; L122-I172 HydrophobicContact CD2-CG2 4.31Å; I124-I172 HydrophobicContact CB-CD1 4.45Å; I124-I172 HydrophobicContact CD1-CD1 3.76Å; I124-I172 HydrophobicContact CD1-CG1 3.84Å; I124-I172 HydrophobicContact CG1-CD1 3.81Å; I124-I172 HydrophobicContact CG1-CG1 3.81Å; I124-I172 HydrophobicContact CG2-CD1 4.49Å; M168-I172 HydrophobicContact CG-CD1 3.99Å; M168-I172 VanDerWaalsContact O-CG1 3.27Å; M168-I172 WeakPolarHBondContact O-CG1 3.38Å; M168-I172 PolarHBondContact O-N 2.79Å; H170-I172 PolarHBondContact O-N 2.73Å; I172-E174 PolarHBondContact O-N 3.42Å; I172-H175 PolarHBondContact O-N 2.55Å; I172-L176 HydrophobicContact CG2-CD1 3.78Å; I172-L176 HydrophobicContact CG2-CG 4.31Å; I172-L176 WeakPolarHBondContact O-CB 3.46Å; I172-L176 VanDerWaalsContact O-CG 3.28Å; I172-L176 WeakPolarHBondContact O-CG 3.48Å; I172-L176 PolarHBondContact O-N 3.01Å
173	A	97.7	Very high	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-43.4	-179.5	0	0	0	0	0	112.2	V55 A57 L64 F169 H170 L177	V55-A173 HydrophobicContact CG2-CB 3.65Å; A57-A173 HydrophobicContact CB-CB 3.99Å; L64-A173 HydrophobicContact CD1-CB 4.44Å; L64-A173 HydrophobicContact CD2-CB 4.2Å; F169-A173 PolarHBondContact O-N 3.22Å; H170-A173 PolarHBondContact O-N 3.49Å; H170-A173 VanDerWaalsContact O-N 3.07Å; A173-L177 WeakPolarHBondContact O-CB 3.22Å; A173-L177 PolarHBondContact O-N 3.38Å
174	E	96.5	Very high	93.6	Very high	65 Å²	65	37.2 Å²	37.2	30%	0.304	20%	0.202	S	C	.	.	H	α-helix	trans	-63.3	-45	176.5	-71.1	172.4	178.2	0	0	111.8	A57 H170 I172 L177 Q178	A57-E174 HydrophobicContact CB-CB 4.48Å; A57-E174 HydrophobicContact CB-CG 3.68Å; H170-E174 WeakPolarHBondContact O-CG 3.31Å; H170-E174 PolarHBondContact O-N 3.4Å; I172-E174 PolarHBondContact O-N 3.42Å; E174-L177 PolarHBondContact O-N 3.24Å; E174-Q178 PolarHBondContact O-N 2.86Å
175	H	95.7	Very high	92.5	Very high	7 Å²	7	39 Å²	39	3%	0.032	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-45.3	179.3	-159.8	86.9	0	0	0	111.6	L122 C171 I172 L177 Q178 M179	L122-H175 VanDerWaalsContact CD1-CD2 3.46Å; L122-H175 WeakPolarHBondContact CD1-CD2 3.2Å; L122-H175 HydrophobicContact CD2-CB 3.94Å; C171-H175 WeakPolarHBondContact O-CB 3.46Å; C171-H175 PolarHBondContact O-N 3.19Å; I172-H175 PolarHBondContact O-N 2.55Å; H175-L177 VanDerWaalsContact C-N 3.34Å; H175-L177 PolarHBondContact O-N 2.62Å; H175-Q178 PolarHBondContact O-N 2.87Å; H175-M179 PolarHBondContact CD2-SD 3.45Å; H175-M179 VanDerWaalsContact O-CG 3.29Å; H175-M179 WeakPolarHBondContact O-CG 3.43Å; H175-M179 PolarHBondContact O-N 3.28Å
176	L	96	Very high	91.3	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-38.3	177.9	-70.2	176.1	0	0	0	112.2	F13 L15 N87 A88 L122 I172 M179 K180	F13-L176 HydrophobicContact CB-CD1 3.76Å; F13-L176 HydrophobicContact CD1-CB 4.09Å; F13-L176 HydrophobicContact CD1-CD1 4.46Å; F13-L176 HydrophobicContact CD2-CB 3.71Å; F13-L176 HydrophobicContact CD2-CD1 4.15Å; F13-L176 HydrophobicContact CE1-CB 4.09Å; F13-L176 HydrophobicContact CE2-CB 3.72Å; F13-L176 HydrophobicContact CG-CB 3.92Å; F13-L176 HydrophobicContact CG-CD1 3.89Å; F13-L176 HydrophobicContact CG-CG 4.5Å; F13-L176 HydrophobicContact CZ-CB 3.92Å; F13-L176 WeakPolarHBondContact CZ-O 3.42Å; L15-L176 HydrophobicContact CD1-CD1 3.98Å; N87-L176 HydrophobicContact CB-CD1 4.31Å; N87-L176 HydrophobicContact CB-CD2 3.99Å; N87-L176 WeakPolarHBondContact O-CD2 3.43Å; A88-L176 HydrophobicContact CB-CD1 4.01Å; A88-L176 HydrophobicContact CB-CD2 4.33Å; L122-L176 HydrophobicContact CB-CD2 3.97Å; L122-L176 HydrophobicContact CD2-CD2 4.2Å; L122-L176 HydrophobicContact CD2-CG 4.21Å; I172-L176 HydrophobicContact CG2-CD1 3.78Å; I172-L176 HydrophobicContact CG2-CG 4.31Å; I172-L176 WeakPolarHBondContact O-CB 3.46Å; I172-L176 VanDerWaalsContact O-CG 3.28Å; I172-L176 WeakPolarHBondContact O-CG 3.48Å; I172-L176 PolarHBondContact O-N 3.01Å; L176-M179 HydrophobicContact CD2-SD 4.31Å; L176-M179 PolarHBondContact O-N 2.81Å; L176-K180 WeakPolarHBondContact O-CB 3.33Å; L176-K180 PolarHBondContact O-N 3.14Å
177	L	94.4	Very high	90.1	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-45.2	175.5	-172.3	61.7	0	0	0	111.3	P11 F13 A57 N58 Q60 V62 A173 E174 H175 M179 K180 T181	P11-L177 HydrophobicContact CB-CD1 4.32Å; P11-L177 HydrophobicContact CG-CD1 4.13Å; F13-L177 HydrophobicContact CE2-CB 4.4Å; A57-L177 HydrophobicContact CB-CD2 4.38Å; A57-L177 WeakPolarHBondContact O-CD2 3.5Å; N58-L177 HydrophobicContact CB-CD2 4.48Å; Q60-L177 HydrophobicContact CB-CD2 3.96Å; V62-L177 HydrophobicContact CG2-CD1 4.27Å; V62-L177 HydrophobicContact CG2-CD2 4.18Å; A173-L177 WeakPolarHBondContact O-CB 3.22Å; A173-L177 PolarHBondContact O-N 3.38Å; E174-L177 PolarHBondContact O-N 3.24Å; H175-L177 VanDerWaalsContact C-N 3.34Å; H175-L177 PolarHBondContact O-N 2.62Å; L177-M179 PolarHBondContact O-N 3.11Å; L177-K180 PolarHBondContact O-N 2.82Å; L177-T181 PolarHBondContact O-N 3.45Å; L177-T181 PolarHBondContact O-OG1 3.31Å; L177-T181 VanDerWaalsContact O-OG1 3.12Å
178	Q	92.6	Very high	88.9	Confident	59 Å²	59	43.6 Å²	43.6	28%	0.276	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-40	176.8	-170.4	-177.4	16.8	0	0	112.7	E174 H175 T181 S182	E174-Q178 PolarHBondContact O-N 2.86Å; H175-Q178 PolarHBondContact O-N 2.87Å; Q178-T181 PolarHBondContact O-N 2.96Å; Q178-S182 WeakPolarHBondContact O-CB 3.29Å; Q178-S182 PolarHBondContact O-N 2.79Å; Q178-S182 PolarHBondContact O-OG 3.08Å
179	M	91.3	Very high	87.6	Confident	22 Å²	22	47 Å²	47	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-43.8	174.6	-72.9	176.4	68.5	0	0	111.4	N120 L122 H175 L176 L177 S182 N183	N120-M179 HydrophobicContact CB-CE 4.03Å; N120-M179 WeakPolarHBondContact ND2-CE 3.32Å; N120-M179 VanDerWaalsContact O-CE 3.23Å; N120-M179 WeakPolarHBondContact O-CE 3.48Å; L122-M179 HydrophobicContact CB-SD 4.38Å; H175-M179 PolarHBondContact CD2-SD 3.45Å; H175-M179 VanDerWaalsContact O-CG 3.29Å; H175-M179 WeakPolarHBondContact O-CG 3.43Å; H175-M179 PolarHBondContact O-N 3.28Å; L176-M179 HydrophobicContact CD2-SD 4.31Å; L176-M179 PolarHBondContact O-N 2.81Å; L177-M179 PolarHBondContact O-N 3.11Å; M179-S182 PolarHBondContact O-N 2.99Å; M179-N183 VanDerWaalsContact O-CG 3.29Å; M179-N183 PolarHBondContact O-N 2.95Å; M179-N183 PolarHBondContact O-ND2 2.83Å
180	K	89.3	Confident	86.1	Confident	89 Å²	89	51 Å²	51	39%	0.387	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-48.1	176.7	-173.2	179	178.8	179.8	0	111.3	F13 L176 L177 S182 N183 S184	F13-K180 HydrophobicContact CE1-CB 4.17Å; F13-K180 HydrophobicContact CE1-CD 4.04Å; F13-K180 HydrophobicContact CZ-CB 4.08Å; F13-K180 HydrophobicContact CZ-CD 3.99Å; L176-K180 WeakPolarHBondContact O-CB 3.33Å; L176-K180 PolarHBondContact O-N 3.14Å; L177-K180 PolarHBondContact O-N 2.82Å; K180-S182 PolarHBondContact O-N 2.9Å; K180-N183 PolarHBondContact O-N 3.4Å; K180-S184 PolarHBondContact O-N 3.04Å; K180-S184 VanDerWaalsContact O-N 3.09Å; K180-S184 PolarHBondContact O-OG 3.23Å
181	T	86.5	Confident	84.7	Confident	74 Å²	74	53.4 Å²	53.4	45%	0.454	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-42.6	178.6	-56.5	0	0	0	0	112	L177 Q178 N183 S184 I185	L177-T181 PolarHBondContact O-N 3.45Å; L177-T181 PolarHBondContact O-OG1 3.31Å; L177-T181 VanDerWaalsContact O-OG1 3.12Å; Q178-T181 PolarHBondContact O-N 2.96Å; T181-N183 VanDerWaalsContact C-N 3.34Å; T181-N183 PolarHBondContact O-N 2.85Å; T181-S184 PolarHBondContact O-N 3.21Å; T181-I185 HydrophobicContact CG2-CD1 4.15Å; T181-I185 WeakPolarHBondContact O-CG1 3.2Å; T181-I185 PolarHBondContact O-N 2.82Å; T181-I185 VanDerWaalsContact O-N 3.09Å
182	S	85	Confident	83.3	Confident	31 Å²	31	59.8 Å²	59.8	22%	0.217	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-40.8	178.2	-57.5	0	0	0	0	112	Q178 M179 K180 I185 I186	Q178-S182 WeakPolarHBondContact O-CB 3.29Å; Q178-S182 PolarHBondContact O-N 2.79Å; Q178-S182 PolarHBondContact O-OG 3.08Å; M179-S182 PolarHBondContact O-N 2.99Å; K180-S182 PolarHBondContact O-N 2.9Å; S182-I185 PolarHBondContact O-N 2.74Å; S182-I186 WeakPolarHBondContact O-CG1 3.47Å; S182-I186 PolarHBondContact O-N 3.24Å; S182-I186 VanDerWaalsContact O-N 3.1Å
183	N	80.6	Confident	81.6	Confident	89 Å²	89	63.6 Å²	63.6	48%	0.476	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-35.6	177.5	-70	-13.8	0	0	0	112.4	M179 K180 T181 S187	M179-N183 VanDerWaalsContact O-CG 3.29Å; M179-N183 PolarHBondContact O-N 2.95Å; M179-N183 PolarHBondContact O-ND2 2.83Å; K180-N183 PolarHBondContact O-N 3.4Å; T181-N183 VanDerWaalsContact C-N 3.34Å; T181-N183 PolarHBondContact O-N 2.85Å; N183-S187 WeakPolarHBondContact O-CB 3.35Å; N183-S187 PolarHBondContact O-N 2.83Å; N183-S187 PolarHBondContact O-OG 2.87Å
184	S	78.5	Confident	79.4	Confident	61 Å²	61	70.5 Å²	70.5	43%	0.427	37%	0.374	S	S	.	.	H	α-helix	trans	-64.9	-38.4	173.8	-61.2	0	0	0	0	112.2	K180 T181 S187 S188	K180-S184 PolarHBondContact O-N 3.04Å; K180-S184 VanDerWaalsContact O-N 3.09Å; K180-S184 PolarHBondContact O-OG 3.23Å; T181-S184 PolarHBondContact O-N 3.21Å; S184-S187 WeakPolarHBondContact CA-OG 3.38Å; S184-S187 PolarHBondContact O-OG 3.45Å; S184-S188 WeakPolarHBondContact O-CB 3.48Å; S184-S188 PolarHBondContact O-N 2.7Å; S184-S188 PolarHBondContact O-OG 2.9Å
185	I	75.3	Confident	77.5	Confident	101 Å²	101	73 Å²	73	52%	0.518	39%	0.386	S	S	.	.	H	α-helix	trans	-68.4	-42.9	177.9	-65.9	165.1	0	0	0	111.2	T181 S182 S188 T189	T181-I185 HydrophobicContact CG2-CD1 4.15Å; T181-I185 WeakPolarHBondContact O-CG1 3.2Å; T181-I185 PolarHBondContact O-N 2.82Å; T181-I185 VanDerWaalsContact O-N 3.09Å; S182-I185 PolarHBondContact O-N 2.74Å; I185-S188 PolarHBondContact O-N 2.69Å; I185-T189 WeakPolarHBondContact O-CB 3.42Å; I185-T189 PolarHBondContact O-N 3.22Å; I185-T189 PolarHBondContact O-OG1 3.46Å
186	I	74.5	Confident	75.7	Confident	88 Å²	88	75.2 Å²	75.2	45%	0.451	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-43.9	178.8	-66.6	164.9	0	0	0	110.8	S182 T189 N190	S182-I186 WeakPolarHBondContact O-CG1 3.47Å; S182-I186 PolarHBondContact O-N 3.24Å; S182-I186 VanDerWaalsContact O-N 3.1Å; I186-T189 PolarHBondContact O-N 3.2Å; I186-N190 WeakPolarHBondContact O-CB 3.39Å; I186-N190 VanDerWaalsContact O-CG 3.27Å; I186-N190 PolarHBondContact O-N 2.87Å; I186-N190 PolarHBondContact O-ND2 3.49Å
187	S	72.2	Confident	73.7	Confident	68 Å²	68	81 Å²	81	48%	0.476	43%	0.433	S	S	.	.	H	α-helix	trans	-63.4	-41.7	177.2	46.8	0	0	0	0	112.3	N183 S184 N190 H191	N183-S187 WeakPolarHBondContact O-CB 3.35Å; N183-S187 PolarHBondContact O-N 2.83Å; N183-S187 PolarHBondContact O-OG 2.87Å; S184-S187 WeakPolarHBondContact CA-OG 3.38Å; S184-S187 PolarHBondContact O-OG 3.45Å; S187-N190 PolarHBondContact O-N 2.76Å; S187-H191 WeakPolarHBondContact O-CB 3.47Å; S187-H191 PolarHBondContact O-N 2.89Å; S187-H191 VanDerWaalsContact O-N 3.08Å
188	S	70.9	Confident	71.3	Confident	76 Å²	76	83.4 Å²	83.4	53%	0.531	46%	0.46	S	S	.	.	H	α-helix	trans	-65.3	-43.2	176.6	-55.3	0	0	0	0	112.1	S184 I185 H191 F192	S184-S188 WeakPolarHBondContact O-CB 3.48Å; S184-S188 PolarHBondContact O-N 2.7Å; S184-S188 PolarHBondContact O-OG 2.9Å; I185-S188 PolarHBondContact O-N 2.69Å; S188-H191 PolarHBondContact O-N 3.39Å; S188-F192 PolarHBondContact O-N 3.47Å
189	T	71.9	Confident	68.6	Low	70 Å²	70	89.7 Å²	89.7	43%	0.429	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-43.7	177.4	-55.3	0	0	0	0	111.8	I185 I186 H191 F192 I193	I185-T189 WeakPolarHBondContact O-CB 3.42Å; I185-T189 PolarHBondContact O-N 3.22Å; I185-T189 PolarHBondContact O-OG1 3.46Å; I186-T189 PolarHBondContact O-N 3.2Å; T189-H191 VanDerWaalsContact C-N 3.3Å; T189-H191 PolarHBondContact O-N 3.46Å; T189-F192 PolarHBondContact O-N 2.82Å; T189-I193 HydrophobicContact CG2-CD1 4Å; T189-I193 WeakPolarHBondContact O-CG1 3.22Å; T189-I193 PolarHBondContact O-N 2.94Å
190	N	67.5	Low	66.1	Low	86 Å²	86	94.2 Å²	94.2	46%	0.46	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-37.1	177.7	-75	-21.2	0	0	0	112.1	I186 S187 Q194	I186-N190 WeakPolarHBondContact O-CB 3.39Å; I186-N190 VanDerWaalsContact O-CG 3.27Å; I186-N190 PolarHBondContact O-N 2.87Å; I186-N190 PolarHBondContact O-ND2 3.49Å; S187-N190 PolarHBondContact O-N 2.76Å; N190-Q194 WeakPolarHBondContact O-CG 3.29Å; N190-Q194 PolarHBondContact O-N 2.86Å; N190-Q194 VanDerWaalsContact O-N 3.09Å
191	H	68.1	Low	63.7	Low	110 Å²	110	95.9 Å²	95.9	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-66.1	-40.4	175.3	-170.4	-95.4	0	0	0	111.8	S187 S188 T189 Q194 Q195	S187-H191 WeakPolarHBondContact O-CB 3.47Å; S187-H191 PolarHBondContact O-N 2.89Å; S187-H191 VanDerWaalsContact O-N 3.08Å; S188-H191 PolarHBondContact O-N 3.39Å; T189-H191 VanDerWaalsContact C-N 3.3Å; T189-H191 PolarHBondContact O-N 3.46Å; H191-Q194 PolarHBondContact O-N 2.66Å; H191-Q195 PolarHBondContact CE1-NE2 3.18Å; H191-Q195 WeakPolarHBondContact O-CG 3.18Å; H191-Q195 PolarHBondContact O-N 2.84Å; H191-Q195 VanDerWaalsContact O-N 3.09Å
192	F	67.8	Low	61.3	Low	144 Å²	144	96.9 Å²	96.9	63%	0.632	54%	0.544	S	S	*	.	H	α-helix	trans	-63.3	-44.1	176	-173	-98.3	0	0	0	112.4	S188 T189 Q194 Q195 S196	S188-F192 PolarHBondContact O-N 3.47Å; T189-F192 PolarHBondContact O-N 2.82Å; F192-Q194 VanDerWaalsContact C-N 3.34Å; F192-Q194 PolarHBondContact O-N 2.9Å; F192-Q195 PolarHBondContact O-N 2.97Å; F192-S196 PolarHBondContact O-N 2.98Å; F192-S196 PolarHBondContact O-OG 3.3Å
193	I	60.6	Low	58.9	Low	79 Å²	79	103.8 Å²	103.8	41%	0.405	57%	0.572	S	S	.	*	H	α-helix	trans	-64.9	-37.5	178.3	-65.1	167.2	0	0	0	111.6	T189 S196 N197	T189-I193 HydrophobicContact CG2-CD1 4Å; T189-I193 WeakPolarHBondContact O-CG1 3.22Å; T189-I193 PolarHBondContact O-N 2.94Å; I193-S196 WeakPolarHBondContact CA-OG 3.39Å; I193-S196 PolarHBondContact O-N 3.27Å; I193-S196 PolarHBondContact O-OG 2.92Å; I193-N197 WeakPolarHBondContact O-CB 3.42Å; I193-N197 PolarHBondContact O-N 2.96Å
194	Q	52.7	Low	56.8	Low	145 Å²	145	106.3 Å²	106.3	68%	0.678	59%	0.59	S	S	*	*	H	α-helix	trans	-66.8	-37.6	176	-75.8	177.5	14.1	0	0	112.2	N190 H191 F192 G198	N190-Q194 WeakPolarHBondContact O-CG 3.29Å; N190-Q194 PolarHBondContact O-N 2.86Å; N190-Q194 VanDerWaalsContact O-N 3.09Å; H191-Q194 PolarHBondContact O-N 2.66Å; F192-Q194 VanDerWaalsContact C-N 3.34Å; F192-Q194 PolarHBondContact O-N 2.9Å; Q194-G198 PolarHBondContact O-N 3.01Å
195	Q	56.4	Low	54.6	Low	119 Å²	119	111 Å²	111	56%	0.556	61%	0.61	S	S	*	*	H	α-helix	trans	-70.5	-37.5	175.2	-71.3	-172.2	-8.2	0	0	112.6	H191 F192 G198	H191-Q195 PolarHBondContact CE1-NE2 3.18Å; H191-Q195 WeakPolarHBondContact O-CG 3.18Å; H191-Q195 PolarHBondContact O-N 2.84Å; H191-Q195 VanDerWaalsContact O-N 3.09Å; F192-Q195 PolarHBondContact O-N 2.97Å; Q195-G198 PolarHBondContact O-N 3.33Å
196	S	58.2	Low	52.4	Low	53 Å²	53	114.4 Å²	114.4	37%	0.371	62%	0.623	S	S	.	*	H	α-helix	trans	-69.6	-33.9	177.3	63.8	0	0	0	0	112.7	F192 I193 G198 Y199	F192-S196 PolarHBondContact O-N 2.98Å; F192-S196 PolarHBondContact O-OG 3.3Å; I193-S196 WeakPolarHBondContact CA-OG 3.39Å; I193-S196 PolarHBondContact O-N 3.27Å; I193-S196 PolarHBondContact O-OG 2.92Å; S196-G198 PolarHBondContact O-N 3.32Å; S196-Y199 PolarHBondContact O-N 2.82Å
197	N	53.8	Low	50.5	Low	128 Å²	128	119.5 Å²	119.5	68%	0.684	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-6.4	176.8	-71.8	-1.9	0	0	0	113.6	I193 Y199	I193-N197 WeakPolarHBondContact O-CB 3.42Å; I193-N197 PolarHBondContact O-N 2.96Å; N197-Y199 VanDerWaalsContact C-N 3.28Å
198	G	44.1	Very low	48.5	Very low	59 Å²	59	119.7 Å²	119.7	61%	0.608	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-8.2	171.5	0	0	0	0	0	114.4	Q194 Q195 S196 S200	Q194-G198 PolarHBondContact O-N 3.01Å; Q195-G198 PolarHBondContact O-N 3.33Å; S196-G198 PolarHBondContact O-N 3.32Å; G198-S200 PolarHBondContact O-N 3.33Å; G198-S200 VanDerWaalsContact O-N 3.07Å
199	Y	36.6	Very low	46.3	Very low	192 Å²	192	123.3 Å²	123.3	75%	0.753	66%	0.658	S	S	*	*			trans	-80.8	88.4	171.2	-72.5	-83.7	0	0	0	109.5	S196 N197 T201	S196-Y199 PolarHBondContact O-N 2.82Å; N197-Y199 VanDerWaalsContact C-N 3.28Å; Y199-T201 PolarHBondContact O-N 3.15Å
200	S	37.8	Very low	44.3	Very low	116 Å²	116	125.1 Å²	125.1	81%	0.811	67%	0.674	S	S	*	*			trans	-56.6	96.4	164.9	-78	0	0	0	0	110.1	G198 S202	G198-S200 PolarHBondContact O-N 3.33Å; G198-S200 VanDerWaalsContact O-N 3.07Å; S200-S202 VanDerWaalsContact C-N 3.29Å; S200-S202 PolarHBondContact O-N 3.2Å
201	T	39.1	Very low	42.5	Very low	125 Å²	125	126.2 Å²	126.2	77%	0.767	69%	0.688	S	S	*	*			trans	-78.3	90	152.6	47.5	0	0	0	0	107.4	Y199	Y199-T201 PolarHBondContact O-N 3.15Å
202	S	35.8	Very low	40.5	Very low	94 Å²	94	126.2 Å²	126.2	66%	0.657	70%	0.7	S	S	*	*			trans	-50.7	138.8	158.5	44.2	0	0	0	0	109.8	S200	S200-S202 VanDerWaalsContact C-N 3.29Å; S200-S202 PolarHBondContact O-N 3.2Å
203	H	34.3	Very low	38.7	Very low	177 Å²	177	124.4 Å²	124.4	82%	0.819	71%	0.705	S	S	*	*			trans	86.5	76.2	178.8	-56.5	-80.8	0	0	0	116.7
204	V	36.2	Very low	37.1	Very low	141 Å²	141	126.7 Å²	126.7	86%	0.855	73%	0.729	S	S	*	*			trans	-127.1	119.1	141	-177.5	0	0	0	0	108.3
205	L	32.2	Very low	36	Very low	159 Å²	159	125.5 Å²	125.5	83%	0.832	73%	0.731	S	S	*	*			trans	-65.9	144	-175.6	-77.2	159.6	0	0	0	111.9	H207	L205-H207 PolarHBondContact O-N 3.02Å
206	H	29.3	Very low	34.6	Very low	173 Å²	173	125.2 Å²	125.2	80%	0.801	74%	0.743	S	S	*	*			trans	-40.3	114.2	169.2	-128.1	-116.2	0	0	0	112.4
207	H	34.5	Very low	33.2	Very low	196 Å²	196	130.1 Å²	130.1	91%	0.907	77%	0.765	S	S	*	*			trans	-132.6	134.2	145.4	-103	-60.6	0	0	0	109.8	L205	L205-H207 PolarHBondContact O-N 3.02Å
208	S	30.7	Very low	32	Very low	72 Å²	72	133.3 Å²	133.3	50%	0.503	77%	0.772	S	S	.	*			trans	-112.4	145.1	-151	47.5	0	0	0	0	111
209	I	25.9	Very low	31.3	Very low	151 Å²	151	138.1 Å²	138.1	77%	0.774	78%	0.783	S	S	*	*			trans	98.3	118.6	142.6	-63.8	150.3	0	0	0	119.5
210	S	28	Very low	31.1	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	78%	0.784	S	S	*	*			trans	71.9	139.7	148.8	73.7	0	0	0	0	117.5
211	S	30	Very low	31	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	78%	0.783	S	S	*	*			cis	-157	156.7	22	43.8	0	0	0	0	111.2
212	S	27.4	Very low	31.1	Very low	111 Å²	111	134.2 Å²	134.2	78%	0.776	76%	0.763	S	S	*	*			trans	-14.9	130.2	166.8	53	0	0	0	0	120.2
213	S	29.2	Very low	31.1	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	77%	0.77	S	S	*	*				-164.6	120.9	119.2	46.1	0	0	0	0	110.1	T215	S213-T215 PolarHBondContact O-N 3.48Å; S213-T215 VanDerWaalsContact O-N 3.17Å
214	S	27.8	Very low	31.4	Very low	128 Å²	128	131.4 Å²	131.4	90%	0.895	75%	0.745	S	S	*	*			trans	-74.4	94.2	178.2	42.9	0	0	0	0	110.4
215	T	28.1	Very low	31.7	Very low	120 Å²	120	125.8 Å²	125.8	74%	0.736	71%	0.711	S	S	*	*			trans	-94.1	105.4	166.7	23.4	0	0	0	0	109.6	S213 N217	S213-T215 PolarHBondContact O-N 3.48Å; S213-T215 VanDerWaalsContact O-N 3.17Å; T215-N217 PolarHBondContact O-N 3.44Å; T215-N217 VanDerWaalsContact O-N 3.12Å
216	S	28.3	Very low	32.2	Very low	113 Å²	113	125.2 Å²	125.2	79%	0.79	70%	0.702	S	S	*	*			trans	-56.5	112.3	168.5	-177.5	0	0	0	0	109.4	K218	S216-K218 PolarHBondContact O-N 3.02Å
217	N	28.3	Very low	32.6	Very low	156 Å²	156	124.4 Å²	124.4	83%	0.834	70%	0.698	S	S	*	*			trans	-60.6	92.7	174	-80.5	-29.6	0	0	0	110.5	T215 L219	T215-N217 PolarHBondContact O-N 3.44Å; T215-N217 VanDerWaalsContact O-N 3.12Å; N217-L219 PolarHBondContact O-N 2.86Å
218	K	27.5	Very low	33.3	Very low	194 Å²	194	117.4 Å²	117.4	84%	0.843	67%	0.667	S	S	*	*			trans	-76.5	113.8	160.7	-88.5	-178.2	176.9	176.9	0	107.7	S216	S216-K218 PolarHBondContact O-N 3.02Å
219	L	30.9	Very low	34.2	Very low	160 Å²	160	116.9 Å²	116.9	84%	0.838	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-51.9	124.6	170.6	-124.3	82.1	0	0	0	109.4	N217 K221	N217-L219 PolarHBondContact O-N 2.86Å; L219-K221 PolarHBondContact O-N 2.89Å
220	P	31.7	Very low	35	Very low	119 Å²	119	115 Å²	115	77%	0.773	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-69.2	117.7	179	24.2	-29.2	0	0	0	109.6	S222	P220-S222 PolarHBondContact O-N 3.01Å
221	K	36.3	Very low	36	Very low	183 Å²	183	112.5 Å²	112.5	80%	0.796	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-54.2	121.8	170.3	-72.3	-173.4	173.4	-169.5	0	108.6	L219 Q223	L219-K221 PolarHBondContact O-N 2.89Å; K221-Q223 PolarHBondContact O-N 2.99Å
222	S	41.4	Very low	36.8	Very low	50 Å²	50	108.1 Å²	108.1	35%	0.35	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-56.8	126.4	-170.8	57.1	0	0	0	0	112.1	P220 S224 T225	P220-S222 PolarHBondContact O-N 3.01Å; S222-S224 PolarHBondContact O-N 2.76Å; S222-S224 VanDerWaalsContact O-N 3.15Å; S222-T225 PolarHBondContact O-N 3.36Å; S222-T225 PolarHBondContact O-OG1 2.83Å
223	Q	35.8	Very low	37.7	Very low	171 Å²	171	106.1 Å²	106.1	80%	0.799	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-21.4	178.9	-69.3	174.8	-10.5	0	0	112.8	K221 T225 K226	K221-Q223 PolarHBondContact O-N 2.99Å; Q223-T225 VanDerWaalsContact C-N 3.29Å; Q223-T225 PolarHBondContact O-N 3.33Å; Q223-K226 PolarHBondContact O-N 2.74Å
224	S	40.4	Very low	38.3	Very low	40 Å²	40	105.6 Å²	105.6	28%	0.28	58%	0.579	S	S	.	*	H	α-helix	trans	-62.2	-32.1	178.8	62.7	0	0	0	0	113.5	S222 K226	S222-S224 PolarHBondContact O-N 2.76Å; S222-S224 VanDerWaalsContact O-N 3.15Å; S224-K226 VanDerWaalsContact C-N 3.34Å; S224-K226 PolarHBondContact O-N 2.71Å
225	T	41.7	Very low	38.8	Very low	23 Å²	23	104.3 Å²	104.3	14%	0.141	57%	0.57	C	S	.	*	H	α-helix	trans	-68.2	-31.7	178.1	56.8	0	0	0	0	112.7	S222 Q223 R229	S222-T225 PolarHBondContact O-N 3.36Å; S222-T225 PolarHBondContact O-OG1 2.83Å; Q223-T225 VanDerWaalsContact C-N 3.29Å; Q223-T225 PolarHBondContact O-N 3.33Å; T225-R229 WeakPolarHBondContact O-CD 3.34Å; T225-R229 WeakPolarHBondContact O-CG 2.85Å; T225-R229 PolarHBondContact O-N 2.75Å
226	K	42.2	Very low	39.3	Very low	148 Å²	148	102.9 Å²	102.9	64%	0.643	56%	0.557	S	S	*	*	H	α-helix	trans	-72.2	-32.9	-179.9	-76.3	-174.8	177.5	179.7	0	113	Q223 S224 R229	Q223-K226 PolarHBondContact O-N 2.74Å; S224-K226 VanDerWaalsContact C-N 3.34Å; S224-K226 PolarHBondContact O-N 2.71Å; K226-R229 PolarHBondContact O-N 2.91Å
227	Q	39.3	Very low	39.8	Very low	156 Å²	156	102.4 Å²	102.4	73%	0.729	55%	0.545	S	S	*	.	H	α-helix	trans	-74.6	-36	-171	-148.7	162.5	-0.8	0	0	112.5
228	L	48.1	Very low	40.4	Very low	48 Å²	48	99.5 Å²	99.5	25%	0.251	53%	0.53	S	S	.	.	H	α-helix	trans	-81.2	-25.7	171.9	-86.3	90.5	0	0	0	114.1	N230 S231 C232	L228-N230 PolarHBondContact O-N 3.34Å; L228-N230 VanDerWaalsContact O-N 3.16Å; L228-S231 PolarHBondContact O-N 2.55Å; L228-S231 PolarHBondContact O-OG 3.22Å; L228-S231 VanDerWaalsContact O-OG 3.11Å; L228-C232 PolarHBondContact O-N 3.01Å; L228-C232 VanDerWaalsContact O-N 3.14Å
229	R	50.4	Low	41.2	Very low	62 Å²	62	94.3 Å²	94.3	23%	0.234	51%	0.512	C	S	.	.	H	α-helix	trans	-55.1	-34.2	172.2	-81.1	172.1	-176.6	-165.7	1.4	111.3	D151 L153 T225 K226 C233	D151-R229 IonicContact OD1-CZ 3.65Å; D151-R229 IonicContact OD1-NH1 3.6Å; D151-R229 PolarHBondContact OD1-NH1 3.14Å; D151-R229 IonicContact OD1-NH2 2.81Å; D151-R229 PolarHBondContact OD1-NH2 3.1Å; D151-R229 IonicContact OD2-CZ 3.99Å; D151-R229 IonicContact OD2-NH1 2.73Å; D151-R229 IonicContact OD2-NH2 2.79Å; D151-R229 PolarHBondContact OD2-NH2 3.32Å; L153-R229 HydrophobicContact CD2-CB 4.43Å; L153-R229 HydrophobicContact CD2-CG 3.71Å; T225-R229 WeakPolarHBondContact O-CD 3.34Å; T225-R229 WeakPolarHBondContact O-CG 2.85Å; T225-R229 PolarHBondContact O-N 2.75Å; K226-R229 PolarHBondContact O-N 2.91Å; R229-C233 PolarHBondContact O-SG 3.24Å; R229-C233 VanDerWaalsContact O-SG 3.42Å
230	N	43.5	Very low	41.8	Very low	110 Å²	110	90.4 Å²	90.4	59%	0.588	49%	0.493	S	S	*	.	H	α-helix	trans	-70.8	-39.7	173.1	-67	-10.5	0	0	0	111.8	L228 C233 S234	L228-N230 PolarHBondContact O-N 3.34Å; L228-N230 VanDerWaalsContact O-N 3.16Å; N230-C233 PolarHBondContact O-N 3.41Å; N230-S234 VanDerWaalsContact O-CB 3.31Å; N230-S234 WeakPolarHBondContact O-CB 3.23Å; N230-S234 PolarHBondContact O-N 2.83Å; N230-S234 PolarHBondContact O-OG 3.06Å
231	S	47.3	Very low	42.4	Very low	57 Å²	57	88.6 Å²	88.6	40%	0.399	48%	0.476	S	S	.	.	H	α-helix	trans	-67.4	-41	-177.1	77.3	0	0	0	0	113.6	L228 C233 S234 S235	L228-S231 PolarHBondContact O-N 2.55Å; L228-S231 PolarHBondContact O-OG 3.22Å; L228-S231 VanDerWaalsContact O-OG 3.11Å; S231-C233 VanDerWaalsContact C-N 3.34Å; S231-C233 PolarHBondContact O-N 3.14Å; S231-S234 PolarHBondContact O-N 3.11Å; S231-S235 PolarHBondContact O-OG 2.91Å
232	C	47.9	Very low	42.8	Very low	17 Å²	17	82.3 Å²	82.3	12%	0.115	45%	0.454	C	S	.	.	H	α-helix	trans	-72.3	-26.9	178.1	-68.2	0	0	0	0	112.4	W155 C171 L228	W155-C232 HydrophobicContact CZ2-CB 3.98Å; C171-C232 WeakPolarHBondContact CB-SG 3.45Å; C171-C232 WeakPolarHBondContact SG-CB 3.45Å; C171-C232 CovalentContact SG-SG 2.08Å; C171-C232 PolarHBondContact SG-SG 3.35Å; L228-C232 PolarHBondContact O-N 3.01Å; L228-C232 VanDerWaalsContact O-N 3.14Å
233	C	45.3	Very low	42.9	Very low	68 Å²	68	84.6 Å²	84.6	46%	0.459	46%	0.462	S	S	.	.	H	α-helix	trans	-80.1	-27.1	172.8	-67.6	0	0	0	0	113.4	R229 N230 S231 S235	R229-C233 PolarHBondContact O-SG 3.24Å; R229-C233 VanDerWaalsContact O-SG 3.42Å; N230-C233 PolarHBondContact O-N 3.41Å; S231-C233 VanDerWaalsContact C-N 3.34Å; S231-C233 PolarHBondContact O-N 3.14Å; C233-S235 VanDerWaalsContact C-N 3.33Å; C233-S235 PolarHBondContact O-N 3.2Å
234	S	42	Very low	43.4	Very low	95 Å²	95	78 Å²	78	66%	0.664	44%	0.436	S	S	*	.	H	α-helix	trans	-77.8	-12.9	-178.9	-61.9	0	0	0	0	114.4	N230 S231	N230-S234 VanDerWaalsContact O-CB 3.31Å; N230-S234 WeakPolarHBondContact O-CB 3.23Å; N230-S234 PolarHBondContact O-N 2.83Å; N230-S234 PolarHBondContact O-OG 3.06Å; S231-S234 PolarHBondContact O-N 3.11Å
235	S	38.6	Very low	43.7	Very low	101 Å²	101	81.2 Å²	81.2	71%	0.706	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	14.6	-177.2	-60.2	0	0	0	0	114.5	S231 C233	S231-S235 PolarHBondContact O-OG 2.91Å; C233-S235 VanDerWaalsContact C-N 3.33Å; C233-S235 PolarHBondContact O-N 3.2Å
236	I	38.3	Very low	43.9	Very low	89 Å²	89	86.5 Å²	86.5	46%	0.456	48%	0.477	S	S	.	.			trans	-130.2	0	178.9	-46.7	173.5	0	0	0	111.5	K140 W155	K140-I236 VanDerWaalsContact NZ-CG2 3.32Å; K140-I236 PolarHBondContact NZ-OXT 2.98Å; W155-I236 HydrophobicContact CD2-CD1 4.31Å; W155-I236 HydrophobicContact CE3-CD1 3.77Å; W155-I236 HydrophobicContact CZ3-CD1 3.98Å; W155-I236 HydrophobicContact CZ3-CG1 4.3Å

Retrieved 236 of 236 residues in 148.4 ms (Link to these results)

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