A0A077YZ16_TRITR Loading...

Ras protein Rab 1A

AlphaFold DB , UniProt , Accession A0A077YZ16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 212 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	39.8	Very low	46	Very low	242 Å²	242	109.6 Å²	109.6	100%	1.192	69%	0.694	S	S	*	*				0	102.9	0	-78.7	176.1	176.6	0	0	107.4	L3	M1-L3 PolarHBondContact O-N 2.81Å
2	T	40.5	Very low	46.6	Very low	147 Å²	147	108.7 Å²	108.7	90%	0.902	68%	0.679	S	S	*	*			trans	-78.1	110.9	174.9	-40.2	0	0	0	0	106.7	A4	T2-A4 PolarHBondContact O-N 3.08Å; T2-A4 VanDerWaalsContact O-N 3.15Å
3	L	40.2	Very low	47.6	Very low	163 Å²	163	113.5 Å²	113.5	85%	0.853	68%	0.684	S	S	*	*			trans	-62.6	115.5	170.8	-132.5	86.2	0	0	0	106.3	M1 A5	M1-L3 PolarHBondContact O-N 2.81Å; L3-A5 PolarHBondContact O-N 3.38Å
4	A	50.4	Low	49.3	Very low	88 Å²	88	116.2 Å²	116.2	73%	0.727	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-59.2	121.5	171.2	0	0	0	0	0	107.5	T2	T2-A4 PolarHBondContact O-N 3.08Å; T2-A4 VanDerWaalsContact O-N 3.15Å
5	A	50.6	Low	51.5	Low	88 Å²	88	110.7 Å²	110.7	73%	0.727	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-53.9	131.5	169.3	0	0	0	0	0	107.5	L3 C7	L3-A5 PolarHBondContact O-N 3.38Å; A5-C7 PolarHBondContact O-N 3.27Å; A5-C7 VanDerWaalsContact O-N 3.16Å
6	P	46.9	Very low	54	Low	96 Å²	96	108.8 Å²	108.8	62%	0.623	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-54.1	128.2	178.2	19.2	-28.9	0	0	0	108.7	S8	P6-S8 PolarHBondContact O-N 3.41Å
7	C	45.2	Very low	56.4	Low	92 Å²	92	106.6 Å²	106.6	62%	0.622	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-52.9	126.3	174.1	-176.4	0	0	0	0	107.6	A5 C9 A10	A5-C7 PolarHBondContact O-N 3.27Å; A5-C7 VanDerWaalsContact O-N 3.16Å; C7-C9 PolarHBondContact O-N 2.97Å; C7-A10 PolarHBondContact O-N 3.07Å
8	S	49.7	Very low	58.6	Low	87 Å²	87	105.8 Å²	105.8	61%	0.608	61%	0.61	S	S	*	*	H	α-helix	trans	-49.3	-26.2	-178.1	179.9	0	0	0	0	112.5	P6 A10 L11	P6-S8 PolarHBondContact O-N 3.41Å; S8-A10 VanDerWaalsContact C-N 3.35Å; S8-A10 PolarHBondContact O-N 3.22Å; S8-L11 PolarHBondContact O-N 3.28Å
9	C	45.7	Very low	60.7	Low	85 Å²	85	100.3 Å²	100.3	57%	0.574	58%	0.579	S	S	*	*	H	α-helix	trans	-60.3	-34.1	174.1	-148.3	0	0	0	0	114.5	C7	C7-C9 PolarHBondContact O-N 2.97Å
10	A	49.5	Very low	62.4	Low	61 Å²	61	96.8 Å²	96.8	50%	0.504	56%	0.556	S	S	.	*	H	α-helix	trans	-75.3	-28.2	-180	0	0	0	0	0	113.1	C7 S8 L12 F13	C7-A10 PolarHBondContact O-N 3.07Å; S8-A10 VanDerWaalsContact C-N 3.35Å; S8-A10 PolarHBondContact O-N 3.22Å; A10-L12 PolarHBondContact O-N 3.39Å; A10-F13 PolarHBondContact O-N 3.16Å
11	L	48.1	Very low	64.1	Low	57 Å²	57	92.2 Å²	92.2	30%	0.298	53%	0.53	S	S	.	.	H	α-helix	trans	-67.6	-20.5	178.3	-67.4	170.6	0	0	0	112.5	S8 F13 E61	S8-L11 PolarHBondContact O-N 3.28Å; L11-F13 VanDerWaalsContact C-N 3.29Å; L11-F13 PolarHBondContact O-N 3.08Å; L11-E61 WeakPolarHBondContact CD1-OE1 3.49Å
12	L	52.1	Low	66.8	Low	98 Å²	98	80.7 Å²	80.7	51%	0.513	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.3	179.9	-67	173.2	0	0	0	113.2	A10 K68	A10-L12 PolarHBondContact O-N 3.39Å; L12-K68 WeakPolarHBondContact O-CE 3.47Å; L12-K68 PolarHBondContact O-NZ 2.84Å
13	F	59.7	Low	69.4	Low	171 Å²	171	73.7 Å²	73.7	75%	0.75	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-42.9	-176.5	-75.3	-75.1	0	0	0	112.9	A10 L11 K68	A10-F13 PolarHBondContact O-N 3.16Å; L11-F13 VanDerWaalsContact C-N 3.29Å; L11-F13 PolarHBondContact O-N 3.08Å; F13-K68 PolarHBondContact O-NZ 3.21Å; F13-K68 VanDerWaalsContact O-NZ 3.14Å
14	F	72.3	Confident	72	Confident	152 Å²	152	66 Å²	66	67%	0.667	39%	0.39	S	S	*	.			trans	-104.1	120	179.3	-82	-91.1	0	0	0	110.9	V204	F14-V204 HydrophobicContact CE1-CG1 3.95Å
15	S	82	Confident	74	Confident	34 Å²	34	61.8 Å²	61.8	24%	0.238	36%	0.356	C	S	.	.			trans	-113.7	132.8	172.4	-54.1	0	0	0	0	108.7	Y17 T66 K68	S15-Y17 PolarHBondContact O-N 3.06Å; S15-T66 CarbonylContact C-O 3.58Å; S15-T66 WeakPolarHBondContact CA-O 3.14Å; S15-T66 WeakPolarHBondContact CB-O 3.48Å; S15-K68 WeakPolarHBondContact OG-CD 3.27Å; S15-K68 WeakPolarHBondContact OG-CE 3.27Å; S15-K68 WeakPolarHBondContact OG-CG 3.49Å; S15-K68 PolarHBondContact OG-NZ 3.43Å
16	D	90.9	Very high	76	Confident	80 Å²	80	58.5 Å²	58.5	43%	0.428	33%	0.325	S	S	.	.	S	Bend	trans	-61.2	-33.7	175.8	-63.3	-94.5	0	0	0	111.3	K65 T66	D16-K65 HydrophobicContact CB-CB 4.32Å; D16-K65 HydrophobicContact CB-CD 3.91Å; D16-K65 WeakPolarHBondContact OD1-CD 3.36Å; D16-K65 IonicContact OD1-NZ 2.84Å; D16-K65 PolarHBondContact OD1-NZ 3.42Å; D16-K65 WeakPolarHBondContact OD2-CA 3.43Å; D16-T66 PolarHBondContact N-O 3.16Å; D16-T66 PolarHBondContact OD2-N 3.19Å
17	Y	95.6	Very high	78	Confident	72 Å²	72	55.5 Å²	55.5	28%	0.282	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.8	-175.9	-64	-79.1	0	0	0	112.4	S15 F19 K65 T66 I67 K68	S15-Y17 PolarHBondContact O-N 3.06Å; Y17-F19 AromaticContact CD1-CE1 3.76Å; Y17-F19 HydrophobicContact CD1-CE1 3.76Å; Y17-F19 AromaticContact CD1-CZ 3.86Å; Y17-F19 HydrophobicContact CD1-CZ 3.86Å; Y17-F19 AromaticContact CG-CE1 3.93Å; Y17-F19 HydrophobicContact CG-CE1 3.93Å; Y17-F19 AromaticContact CG-CZ 3.78Å; Y17-F19 HydrophobicContact CG-CZ 3.78Å; Y17-K65 HydrophobicContact CD2-CB 4.22Å; Y17-K65 HydrophobicContact CE2-CB 4.12Å; Y17-K65 HydrophobicContact CE2-CD 4.27Å; Y17-K65 HydrophobicContact CE2-CG 4.05Å; Y17-T66 PolarHBondContact N-O 3.05Å; Y17-I67 HydrophobicContact CD2-CG1 4.23Å; Y17-K68 PolarHBondContact O-N 3.12Å
18	L	95.7	Very high	80.2	Confident	91 Å²	91	52.3 Å²	52.3	48%	0.476	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	112.3	170.1	178.6	65.9	0	0	0	108.4	K68 Q70	L18-K68 CarbonylContact C-O 3.46Å; L18-K68 WeakPolarHBondContact CA-O 3.47Å; L18-K68 HydrophobicContact CD1-CB 3.67Å; L18-Q70 HydrophobicContact CD1-CG 3.76Å
19	F	97.5	Very high	82.3	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.009	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.8	179.6	-59.6	-23.6	0	0	0	111.1	Y17 I67 K68 L69 Q70 H92 A176 I179 K180 L183	Y17-F19 AromaticContact CD1-CE1 3.76Å; Y17-F19 HydrophobicContact CD1-CE1 3.76Å; Y17-F19 AromaticContact CD1-CZ 3.86Å; Y17-F19 HydrophobicContact CD1-CZ 3.86Å; Y17-F19 AromaticContact CG-CE1 3.93Å; Y17-F19 HydrophobicContact CG-CE1 3.93Å; Y17-F19 AromaticContact CG-CZ 3.78Å; Y17-F19 HydrophobicContact CG-CZ 3.78Å; F19-I67 HydrophobicContact CD2-CG2 3.43Å; F19-I67 VanDerWaalsContact CD2-CG2 3.43Å; F19-I67 HydrophobicContact CE2-CD1 3.98Å; F19-I67 HydrophobicContact CE2-CG2 3.62Å; F19-I67 HydrophobicContact CG-CG2 4.03Å; F19-I67 HydrophobicContact CZ-CG2 4.32Å; F19-K68 PolarHBondContact N-O 3.15Å; F19-L69 HydrophobicContact CB-CD2 3.91Å; F19-L69 HydrophobicContact CD2-CD2 4.05Å; F19-L69 HydrophobicContact CG-CD2 4.45Å; F19-L69 WeakPolarHBondContact O-CA 3.44Å; F19-Q70 PolarHBondContact O-N 3.18Å; F19-H92 HydrophobicContact CB-CB 4.46Å; F19-A176 HydrophobicContact CD2-CB 4.45Å; F19-I179 HydrophobicContact CB-CD1 4.36Å; F19-I179 HydrophobicContact CD1-CG2 3.62Å; F19-I179 HydrophobicContact CD2-CB 4.08Å; F19-I179 HydrophobicContact CD2-CD1 4.26Å; F19-I179 HydrophobicContact CD2-CG2 3.73Å; F19-I179 HydrophobicContact CE1-CG2 3.56Å; F19-I179 HydrophobicContact CE2-CB 3.98Å; F19-I179 HydrophobicContact CE2-CG2 3.64Å; F19-I179 HydrophobicContact CG-CD1 4.39Å; F19-I179 HydrophobicContact CG-CG2 3.74Å; F19-I179 HydrophobicContact CZ-CB 4.33Å; F19-I179 HydrophobicContact CZ-CG2 3.58Å; F19-K180 HydrophobicContact CE2-CB 4.24Å; F19-K180 HydrophobicContact CZ-CB 4.18Å; F19-L183 HydrophobicContact CD1-CD1 4.34Å; F19-L183 HydrophobicContact CE1-CD1 3.48Å; F19-L183 VanDerWaalsContact CE1-CD1 3.48Å; F19-L183 HydrophobicContact CZ-CD1 4.07Å
20	K	96.5	Very high	84.6	Confident	30 Å²	30	44.7 Å²	44.7	13%	0.13	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.4	170.1	-178.5	-179	168.3	-171.1	0	109.6	Q70 Y87 R89 H92 G93	K20-Q70 WeakPolarHBondContact CA-O 3.21Å; K20-Y87 WeakPolarHBondContact CE-O 3.34Å; K20-Y87 PolarHBondContact NZ-O 3.28Å; K20-R89 PolarHBondContact NZ-O 3.49Å; K20-H92 PolarHBondContact N-ND1 2.86Å; K20-H92 PolarHBondContact O-N 3Å; K20-G93 PolarHBondContact O-N 2.81Å
21	L	98	Very high	86.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.7	175.1	-55.8	-172	0	0	0	110.5	L69 Q70 I71 W72 G93 F172 M175 I179	L21-L69 HydrophobicContact CD1-CD1 4.13Å; L21-L69 HydrophobicContact CD1-CD2 4.17Å; L21-Q70 PolarHBondContact N-O 2.83Å; L21-I71 HydrophobicContact CB-CG1 4.28Å; L21-I71 HydrophobicContact CD1-CG1 4.28Å; L21-W72 PolarHBondContact O-N 2.86Å; L21-G93 WeakPolarHBondContact CA-O 3.39Å; L21-F172 HydrophobicContact CD1-CD1 4.1Å; L21-M175 HydrophobicContact CD1-CG 4.21Å; L21-M175 HydrophobicContact CD2-CG 3.65Å; L21-I179 HydrophobicContact CD2-CD1 3.47Å; L21-I179 VanDerWaalsContact CD2-CD1 3.47Å
22	L	95.6	Very high	88.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131	174.4	-172.6	68.1	0	0	0	109.4	I24 W72 T74 Y88 G93 I94 I95	L22-I24 HydrophobicContact CD2-CG2 3.72Å; L22-I24 HydrophobicContact CG-CG2 3.78Å; L22-W72 HydrophobicContact CD1-CB 3.69Å; L22-T74 HydrophobicContact CD1-CG2 3.61Å; L22-T74 HydrophobicContact CG-CG2 4.47Å; L22-Y88 HydrophobicContact CD2-CD1 4.05Å; L22-Y88 HydrophobicContact CD2-CE1 4.15Å; L22-Y88 HydrophobicContact CD2-CG 4.3Å; L22-G93 PolarHBondContact N-O 2.79Å; L22-I94 HydrophobicContact CB-CG1 4.18Å; L22-I94 HydrophobicContact CB-CG2 4.4Å; L22-I94 WeakPolarHBondContact O-CA 3.38Å; L22-I95 PolarHBondContact O-N 3.35Å
23	L	95.5	Very high	90.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.7	169.7	-53.9	-176.1	0	0	0	108.9	K31 L35 I71 W72 D73 T74 I95 F172	L23-K31 HydrophobicContact CB-CB 4.24Å; L23-K31 HydrophobicContact CB-CD 4.4Å; L23-K31 HydrophobicContact CD1-CB 4.41Å; L23-L35 HydrophobicContact CD1-CB 4.05Å; L23-I71 HydrophobicContact CD1-CG2 4.17Å; L23-I71 HydrophobicContact CD2-CG2 4.41Å; L23-I71 HydrophobicContact CG-CG2 4.01Å; L23-W72 PolarHBondContact N-O 3.07Å; L23-D73 HydrophobicContact CD1-CB 4.35Å; L23-T74 PolarHBondContact O-OG1 3.3Å; L23-T74 VanDerWaalsContact O-OG1 3.1Å; L23-I95 HydrophobicContact CD2-CB 3.72Å; L23-I95 HydrophobicContact CD2-CD1 3.87Å; L23-I95 HydrophobicContact CD2-CG1 4.14Å; L23-I95 HydrophobicContact CD2-CG2 4.32Å; L23-F172 HydrophobicContact CD1-CZ 4.5Å; L23-F172 HydrophobicContact CD2-CE1 4.14Å; L23-F172 HydrophobicContact CD2-CZ 4.3Å
24	I	93.7	Very high	92.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	165.1	175.6	69.8	172.9	0	0	0	110.8	L22 I83 Y88 I94 I95 V96 V97 W112 I116	L22-I24 HydrophobicContact CD2-CG2 3.72Å; L22-I24 HydrophobicContact CG-CG2 3.78Å; I24-I83 HydrophobicContact CB-CD1 4.14Å; I24-I83 HydrophobicContact CG2-CD1 3.61Å; I24-Y88 HydrophobicContact CD1-CE1 4.32Å; I24-I94 HydrophobicContact CD1-CG2 3.84Å; I24-I94 HydrophobicContact CG1-CG2 3.88Å; I24-I94 HydrophobicContact CG2-CG2 4.3Å; I24-I95 PolarHBondContact N-O 3.43Å; I24-V96 HydrophobicContact CD1-CG2 3.99Å; I24-V96 HydrophobicContact CG1-CB 4.31Å; I24-V96 HydrophobicContact CG1-CG1 4.24Å; I24-V96 HydrophobicContact CG1-CG2 3.93Å; I24-V97 PolarHBondContact O-N 3.38Å; I24-W112 HydrophobicContact CB-CE3 4.12Å; I24-W112 HydrophobicContact CB-CZ3 4.46Å; I24-W112 HydrophobicContact CD1-CB 3.87Å; I24-W112 HydrophobicContact CD1-CD2 4.47Å; I24-W112 HydrophobicContact CD1-CE3 4.07Å; I24-W112 HydrophobicContact CD1-CG 4.46Å; I24-W112 HydrophobicContact CG1-CB 4.47Å; I24-W112 HydrophobicContact CG1-CE3 4.42Å; I24-I116 HydrophobicContact CD1-CD1 3.61Å; I24-I116 HydrophobicContact CD1-CG1 3.76Å
25	G	93.6	Very high	93.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	13%	0.131	C	C	.	.			trans	139.2	169.3	-173.8	0	0	0	0	0	111.4	K31 V97 W112	G25-K31 PolarHBondContact O-NZ 3.16Å; G25-V97 WeakPolarHBondContact CA-O 3.34Å; G25-W112 VanDerWaalsContact C-CE2 3.47Å; G25-W112 VanDerWaalsContact O-CZ2 3.28Å; G25-W112 WeakPolarHBondContact O-CZ2 3.27Å
26	D	92	Very high	94.3	Very high	18 Å²	18	23.3 Å²	23.3	10%	0.096	13%	0.132	C	C	.	.			trans	-61.6	168	-176.9	-76.4	9.5	0	0	0	113.2	V29 K31 S105 N108 W112	D26-V29 HydrophobicContact CB-CG1 3.84Å; D26-V29 VanDerWaalsContact O-CG2 3.28Å; D26-V29 WeakPolarHBondContact O-CG2 3.23Å; D26-K31 PolarHBondContact O-NZ 3.33Å; D26-S105 WeakPolarHBondContact OD2-CA 3.37Å; D26-N108 PolarHBondContact OD2-ND2 2.9Å; D26-W112 PolarHBondContact OD1-NE1 3.23Å
27	S	89.5	Confident	94.6	Very high	34 Å²	34	21.5 Å²	21.5	24%	0.238	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	148.7	169.2	-129.1	0	0	0	0	110.5	V29 Y47 E78	S27-V29 PolarHBondContact O-N 2.89Å; S27-Y47 PolarHBondContact OG-OH 2.89Å; S27-Y47 VanDerWaalsContact OG-OH 3.11Å; S27-E78 WeakPolarHBondContact CB-OE1 3.34Å; S27-E78 WeakPolarHBondContact CB-OE2 3.21Å; S27-E78 PolarHBondContact OG-OE1 3.49Å; S27-E78 PolarHBondContact OG-OE2 3.06Å; S27-E78 VanDerWaalsContact OG-OE2 3.11Å
28	G	90.8	Very high	94.6	Very high	25 Å²	25	18.2 Å²	18.2	26%	0.258	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-7.4	169.4	0	0	0	0	0	116.3	G30 Y47 K132	G28-G30 PolarHBondContact O-N 3.02Å; G28-G30 VanDerWaalsContact O-N 3.17Å; G28-Y47 PolarHBondContact N-OH 3.34Å; G28-K132 VanDerWaalsContact O-CE 3.26Å; G28-K132 WeakPolarHBondContact O-CE 3.18Å; G28-K132 PolarHBondContact O-NZ 3.33Å
29	V	94.2	Very high	94.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	9%	0.09	C	C	.	.	S	Bend	trans	-66.8	-18	179.6	-55.1	0	0	0	0	113.6	D26 S27 K31 V97 D99 N131	D26-V29 HydrophobicContact CB-CG1 3.84Å; D26-V29 VanDerWaalsContact O-CG2 3.28Å; D26-V29 WeakPolarHBondContact O-CG2 3.23Å; S27-V29 PolarHBondContact O-N 2.89Å; V29-K31 HydrophobicContact CG2-CD 4.41Å; V29-K31 HydrophobicContact CG2-CG 3.7Å; V29-V97 HydrophobicContact CB-CG1 4.27Å; V29-V97 HydrophobicContact CG2-CB 3.93Å; V29-V97 HydrophobicContact CG2-CG1 3.81Å; V29-D99 HydrophobicContact CB-CB 4.26Å; V29-D99 HydrophobicContact CG1-CB 4.21Å; V29-N131 PolarHBondContact O-ND2 3.44Å
30	G	94.8	Very high	94.3	Very high	10 Å²	10	18.2 Å²	18.2	10%	0.103	11%	0.109	C	C	.	.			trans	100.1	25.5	173.6	0	0	0	0	0	115.5	G28 S32 C33 L34	G28-G30 PolarHBondContact O-N 3.02Å; G28-G30 VanDerWaalsContact O-N 3.17Å; G30-S32 PolarHBondContact O-N 3.44Å; G30-C33 PolarHBondContact O-N 3.04Å; G30-L34 WeakPolarHBondContact O-CG 3.32Å; G30-L34 PolarHBondContact O-N 3.38Å
31	K	94.2	Very high	94.1	Very high	10 Å²	10	21.9 Å²	21.9	4%	0.043	13%	0.131	C	C	.	.	H	α-helix	trans	-51.2	-52.5	174.4	-56.3	-177.4	-65.5	-80.8	0	112.2	L23 G25 D26 V29 C33 L34 L35 D73 T74 V97	L23-K31 HydrophobicContact CB-CB 4.24Å; L23-K31 HydrophobicContact CB-CD 4.4Å; L23-K31 HydrophobicContact CD1-CB 4.41Å; G25-K31 PolarHBondContact O-NZ 3.16Å; D26-K31 PolarHBondContact O-NZ 3.33Å; V29-K31 HydrophobicContact CG2-CD 4.41Å; V29-K31 HydrophobicContact CG2-CG 3.7Å; K31-C33 PolarHBondContact O-N 3.48Å; K31-L34 WeakPolarHBondContact O-CB 3.2Å; K31-L34 PolarHBondContact O-N 3.04Å; K31-L35 PolarHBondContact O-N 3.2Å; K31-D73 WeakPolarHBondContact CB-OD1 3.32Å; K31-T74 WeakPolarHBondContact CE-O 3.33Å; K31-V97 HydrophobicContact CG-CB 4.12Å; K31-V97 HydrophobicContact CG-CG2 4.2Å
32	S	92.5	Very high	93.9	Very high	24 Å²	24	25.2 Å²	25.2	17%	0.168	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-38.1	179	-44.5	0	0	0	0	112.3	G30 L34 L35 L36 T50 D73	G30-S32 PolarHBondContact O-N 3.44Å; S32-L34 PolarHBondContact O-N 3.45Å; S32-L35 PolarHBondContact O-N 3.06Å; S32-L36 WeakPolarHBondContact O-CB 3.31Å; S32-L36 VanDerWaalsContact O-CG 3.32Å; S32-L36 WeakPolarHBondContact O-CG 3.35Å; S32-L36 PolarHBondContact O-N 3.3Å; S32-T50 PolarHBondContact OG-OG1 3.28Å; S32-D73 VanDerWaalsContact CA-OD2 3.3Å; S32-D73 WeakPolarHBondContact CA-OD2 3.49Å; S32-D73 WeakPolarHBondContact CB-OD2 3.39Å; S32-D73 PolarHBondContact OG-OD2 2.99Å
33	C	94.5	Very high	93.7	Very high	32 Å²	32	28.9 Å²	28.9	22%	0.216	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-39.7	175	-57.3	0	0	0	0	111.7	G30 K31 R37 Y43 A162	G30-C33 PolarHBondContact O-N 3.04Å; K31-C33 PolarHBondContact O-N 3.48Å; C33-R37 VanDerWaalsContact O-CB 3.23Å; C33-R37 WeakPolarHBondContact O-CB 3.49Å; C33-R37 PolarHBondContact O-N 3.04Å; C33-Y43 HydrophobicContact CB-CD2 4.37Å; C33-Y43 HydrophobicContact CB-CE2 4.4Å; C33-A162 HydrophobicContact CB-CB 3.63Å
34	L	96.1	Very high	93.4	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-42.9	173.6	-75.5	171.7	0	0	0	111.2	G30 K31 S32 R37 F38 V97 V129 N131 T160 A162 V168	G30-L34 WeakPolarHBondContact O-CG 3.32Å; G30-L34 PolarHBondContact O-N 3.38Å; K31-L34 WeakPolarHBondContact O-CB 3.2Å; K31-L34 PolarHBondContact O-N 3.04Å; S32-L34 PolarHBondContact O-N 3.45Å; L34-R37 PolarHBondContact O-N 3.37Å; L34-F38 VanDerWaalsContact O-CB 3.3Å; L34-F38 WeakPolarHBondContact O-CB 3.49Å; L34-F38 PolarHBondContact O-N 3.33Å; L34-V97 HydrophobicContact CD1-CG1 3.91Å; L34-V97 HydrophobicContact CD1-CG2 4.18Å; L34-V129 HydrophobicContact CD1-CG1 4.14Å; L34-N131 HydrophobicContact CD1-CB 4.24Å; L34-T160 WeakPolarHBondContact CD2-OG1 3.44Å; L34-A162 HydrophobicContact CD2-CB 3.99Å; L34-A162 HydrophobicContact CG-CB 4.24Å; L34-V168 HydrophobicContact CD2-CG1 4.32Å; L34-V168 HydrophobicContact CD2-CG2 3.79Å
35	L	95.4	Very high	92.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-48.4	176.5	-179.6	55.2	0	0	0	111.8	L23 K31 S32 R37 F38 A39 K56 I71 D73	L23-L35 HydrophobicContact CD1-CB 4.05Å; K31-L35 PolarHBondContact O-N 3.2Å; S32-L35 PolarHBondContact O-N 3.06Å; L35-R37 VanDerWaalsContact C-N 3.34Å; L35-R37 PolarHBondContact O-N 3.28Å; L35-F38 PolarHBondContact O-N 3.41Å; L35-A39 HydrophobicContact CD1-CB 4.36Å; L35-A39 WeakPolarHBondContact O-CB 3.41Å; L35-A39 PolarHBondContact O-N 3.4Å; L35-K56 HydrophobicContact CD1-CB 4Å; L35-K56 HydrophobicContact CD1-CG 4.29Å; L35-K56 HydrophobicContact CD2-CB 4.17Å; L35-K56 HydrophobicContact CD2-CG 3.9Å; L35-K56 HydrophobicContact CG-CB 4.35Å; L35-K56 HydrophobicContact CG-CG 4.11Å; L35-I71 HydrophobicContact CD1-CB 3.83Å; L35-I71 HydrophobicContact CD1-CD1 3.89Å; L35-I71 HydrophobicContact CD1-CG1 4.48Å; L35-I71 HydrophobicContact CD1-CG2 3.64Å; L35-I71 HydrophobicContact CD2-CG2 4.44Å; L35-D73 HydrophobicContact CD2-CB 3.49Å; L35-D73 VanDerWaalsContact CD2-CB 3.49Å
36	L	93.6	Very high	92	Very high	50 Å²	50	40.5 Å²	40.5	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-42.8	178.3	-73	170	0	0	0	111.6	S32 D40 D41 T42	S32-L36 WeakPolarHBondContact O-CB 3.31Å; S32-L36 VanDerWaalsContact O-CG 3.32Å; S32-L36 WeakPolarHBondContact O-CG 3.35Å; S32-L36 PolarHBondContact O-N 3.3Å; L36-D40 WeakPolarHBondContact O-CA 3.46Å; L36-D40 PolarHBondContact O-N 3.32Å; L36-D41 PolarHBondContact O-N 2.63Å; L36-T42 CarbonylContact C-O 3.35Å; L36-T42 PolarHBondContact O-N 3.44Å
37	R	96.5	Very high	90.8	Very high	43 Å²	43	46.2 Å²	46.2	16%	0.162	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-43.1	177.6	179.2	57.7	77.4	178.6	5.9	111.6	C33 L34 L35 D41 T42 A162 K163 S165 V168	C33-R37 VanDerWaalsContact O-CB 3.23Å; C33-R37 WeakPolarHBondContact O-CB 3.49Å; C33-R37 PolarHBondContact O-N 3.04Å; L34-R37 PolarHBondContact O-N 3.37Å; L35-R37 VanDerWaalsContact C-N 3.34Å; L35-R37 PolarHBondContact O-N 3.28Å; R37-D41 WeakPolarHBondContact CD-OD1 3.34Å; R37-D41 IonicContact CZ-OD1 2.86Å; R37-D41 PolarHBondContact NH1-O 3.01Å; R37-D41 IonicContact NH1-OD1 3.57Å; R37-D41 PolarHBondContact NH1-OD1 2.75Å; R37-D41 WeakPolarHBondContact O-CA 3.49Å; R37-D41 PolarHBondContact O-N 2.95Å; R37-T42 WeakPolarHBondContact CA-O 3.47Å; R37-T42 PolarHBondContact N-O 2.81Å; R37-A162 HydrophobicContact CB-CB 4.44Å; R37-A162 PolarHBondContact NE-O 3.36Å; R37-K163 PolarHBondContact NH2-O 2.98Å; R37-S165 WeakPolarHBondContact CD-OG 3.33Å; R37-S165 PolarHBondContact NE-OG 3.28Å; R37-V168 HydrophobicContact CB-CG1 4.25Å; R37-V168 HydrophobicContact CG-CB 4.28Å; R37-V168 HydrophobicContact CG-CG1 3.98Å; R37-V168 HydrophobicContact CG-CG2 4.06Å
38	F	97.4	Very high	90	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-68.3	-51	176.9	176.4	-113.1	0	0	0	111.6	L34 L35 R58 I60 L69 I71 V168 E169 F172	L34-F38 VanDerWaalsContact O-CB 3.3Å; L34-F38 WeakPolarHBondContact O-CB 3.49Å; L34-F38 PolarHBondContact O-N 3.33Å; L35-F38 PolarHBondContact O-N 3.41Å; F38-R58 HydrophobicContact CE1-CB 3.91Å; F38-R58 HydrophobicContact CE1-CG 3.82Å; F38-R58 HydrophobicContact CZ-CG 3.99Å; F38-R58 VanDerWaalsContact CZ-NE 3.35Å; F38-R58 WeakPolarHBondContact O-CD 3.35Å; F38-R58 PolarHBondContact O-NE 3.14Å; F38-R58 PolarHBondContact O-NH1 3.22Å; F38-R58 PolarHBondContact O-NH2 3.48Å; F38-I60 HydrophobicContact CZ-CG2 3.98Å; F38-L69 HydrophobicContact CE1-CD1 4.09Å; F38-L69 HydrophobicContact CZ-CD1 3.98Å; F38-I71 HydrophobicContact CD1-CD1 3.59Å; F38-I71 HydrophobicContact CE1-CD1 3.5Å; F38-I71 VanDerWaalsContact CE1-CD1 3.5Å; F38-V168 HydrophobicContact CB-CG1 3.86Å; F38-E169 VanDerWaalsContact CD2-OE2 3.28Å; F38-E169 WeakPolarHBondContact CD2-OE2 3.32Å; F38-E169 WeakPolarHBondContact CE2-OE2 3.2Å; F38-F172 HydrophobicContact CB-CD2 3.62Å; F38-F172 HydrophobicContact CB-CE2 3.39Å; F38-F172 HydrophobicContact CB-CG 4.49Å; F38-F172 HydrophobicContact CB-CZ 4.09Å; F38-F172 HydrophobicContact CD1-CB 4.35Å; F38-F172 AromaticContact CD1-CD1 3.96Å; F38-F172 HydrophobicContact CD1-CD1 3.96Å; F38-F172 AromaticContact CD1-CD2 3.73Å; F38-F172 HydrophobicContact CD1-CD2 3.73Å; F38-F172 HydrophobicContact CD1-CE1 4.17Å; F38-F172 AromaticContact CD1-CE2 3.97Å; F38-F172 HydrophobicContact CD1-CE2 3.97Å; F38-F172 AromaticContact CD1-CG 3.74Å; F38-F172 HydrophobicContact CD1-CG 3.74Å; F38-F172 HydrophobicContact CD1-CZ 4.18Å; F38-F172 HydrophobicContact CD2-CB 3.96Å; F38-F172 AromaticContact CD2-CD2 3.45Å; F38-F172 HydrophobicContact CD2-CD2 3.45Å; F38-F172 VanDerWaalsContact CD2-CD2 3.45Å; F38-F172 HydrophobicContact CD2-CE2 4.17Å; F38-F172 AromaticContact CD2-CG 3.85Å; F38-F172 HydrophobicContact CD2-CG 3.85Å; F38-F172 HydrophobicContact CE1-CB 3.99Å; F38-F172 HydrophobicContact CE1-CD1 4.01Å; F38-F172 HydrophobicContact CE1-CD2 4.24Å; F38-F172 AromaticContact CE1-CG 3.81Å; F38-F172 HydrophobicContact CE1-CG 3.81Å; F38-F172 HydrophobicContact CE2-CB 3.55Å; F38-F172 AromaticContact CE2-CD2 3.98Å; F38-F172 HydrophobicContact CE2-CD2 3.98Å; F38-F172 AromaticContact CE2-CG 3.9Å; F38-F172 HydrophobicContact CE2-CG 3.9Å; F38-F172 HydrophobicContact CG-CB 4.34Å; F38-F172 HydrophobicContact CG-CD1 4.38Å; F38-F172 AromaticContact CG-CD2 3.3Å; F38-F172 HydrophobicContact CG-CD2 3.3Å; F38-F172 AromaticContact CG-CE2 3.59Å; F38-F172 HydrophobicContact CG-CE2 3.59Å; F38-F172 AromaticContact CG-CG 3.76Å; F38-F172 HydrophobicContact CG-CG 3.76Å; F38-F172 HydrophobicContact CG-CZ 4.23Å; F38-F172 HydrophobicContact CZ-CB 3.56Å; F38-F172 HydrophobicContact CZ-CD1 4.46Å; F38-F172 HydrophobicContact CZ-CD2 4.35Å; F38-F172 AromaticContact CZ-CG 3.89Å; F38-F172 HydrophobicContact CZ-CG 3.89Å
39	A	93.7	Very high	89.2	Confident	17 Å²	17	52.6 Å²	52.6	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-71.7	-47.2	-171.7	0	0	0	0	0	112.5	L35 K56 R58	L35-A39 HydrophobicContact CD1-CB 4.36Å; L35-A39 WeakPolarHBondContact O-CB 3.41Å; L35-A39 PolarHBondContact O-N 3.4Å; A39-K56 HydrophobicContact CB-CB 4.37Å; A39-K56 HydrophobicContact CB-CD 4.47Å; A39-K56 HydrophobicContact CB-CG 4.37Å; A39-R58 PolarHBondContact O-NH1 2.84Å
40	D	91.4	Very high	87.9	Confident	76 Å²	76	54.3 Å²	54.3	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-117.3	0	-165.3	-55.6	-26.3	0	0	0	112.8	L36 T42 K56	L36-D40 WeakPolarHBondContact O-CA 3.46Å; L36-D40 PolarHBondContact O-N 3.32Å; D40-T42 HydrophobicContact CB-CG2 4.35Å; D40-T42 WeakPolarHBondContact O-CG2 3.28Å; D40-T42 PolarHBondContact O-N 3.37Å; D40-K56 IonicContact OD1-NZ 3.63Å; D40-K56 PolarHBondContact OD1-NZ 3.38Å; D40-K56 IonicContact OD2-NZ 3.17Å; D40-K56 PolarHBondContact OD2-NZ 2.94Å
41	D	94	Very high	86.7	Confident	108 Å²	108	61.5 Å²	61.5	58%	0.578	33%	0.33	S	S	*	.	S	Bend	trans	50.7	39	-171.3	-165.4	23.7	0	0	0	113.8	L36 R37	L36-D41 PolarHBondContact O-N 2.63Å; R37-D41 WeakPolarHBondContact CD-OD1 3.34Å; R37-D41 IonicContact CZ-OD1 2.86Å; R37-D41 PolarHBondContact NH1-O 3.01Å; R37-D41 IonicContact NH1-OD1 3.57Å; R37-D41 PolarHBondContact NH1-OD1 2.75Å; R37-D41 WeakPolarHBondContact O-CA 3.49Å; R37-D41 PolarHBondContact O-N 2.95Å
42	T	92.7	Very high	85.7	Confident	69 Å²	69	63.1 Å²	63.1	42%	0.423	35%	0.349	S	S	.	.			trans	-121.3	154.8	178.8	59.9	0	0	0	0	112.1	L36 R37 D40	L36-T42 CarbonylContact C-O 3.35Å; L36-T42 PolarHBondContact O-N 3.44Å; R37-T42 WeakPolarHBondContact CA-O 3.47Å; R37-T42 PolarHBondContact N-O 2.81Å; D40-T42 HydrophobicContact CB-CG2 4.35Å; D40-T42 WeakPolarHBondContact O-CG2 3.28Å; D40-T42 PolarHBondContact O-N 3.37Å
43	Y	92.6	Very high	85.1	Confident	77 Å²	77	64 Å²	64	30%	0.302	35%	0.354	S	S	.	.			trans	-144.7	142.7	173.4	171.9	-91.2	0	0	0	109.2	C33 D45 A162 K163	C33-Y43 HydrophobicContact CB-CD2 4.37Å; C33-Y43 HydrophobicContact CB-CE2 4.4Å; Y43-D45 VanDerWaalsContact CE1-OD1 3.24Å; Y43-D45 WeakPolarHBondContact CE1-OD1 3.34Å; Y43-D45 PolarHBondContact OH-OD1 3.47Å; Y43-A162 HydrophobicContact CD2-CB 4.12Å; Y43-A162 WeakPolarHBondContact CD2-O 3.47Å; Y43-A162 HydrophobicContact CE2-CB 4.38Å; Y43-K163 HydrophobicContact CD1-CG 4.22Å; Y43-K163 HydrophobicContact CD2-CB 4.3Å; Y43-K163 HydrophobicContact CE1-CB 4.16Å; Y43-K163 HydrophobicContact CE1-CD 4.39Å; Y43-K163 HydrophobicContact CE1-CG 3.77Å; Y43-K163 HydrophobicContact CE2-CB 3.88Å; Y43-K163 HydrophobicContact CE2-CG 4.4Å
44	T	87.4	Confident	84.7	Confident	63 Å²	63	65.5 Å²	65.5	39%	0.387	36%	0.36	S	S	.	.			trans	-129.7	136.6	174	-176.1	0	0	0	0	109.7	S46	T44-S46 PolarHBondContact O-N 3.37Å; T44-S46 PolarHBondContact OG1-N 3.23Å; T44-S46 PolarHBondContact OG1-OG 2.92Å
45	D	82.2	Confident	84.4	Confident	120 Å²	120	68.8 Å²	68.8	64%	0.642	37%	0.374	S	S	*	.	S	Bend	trans	-74.9	-13.3	172.4	-74.3	-58.1	0	0	0	112	Y43 Y47	Y43-D45 VanDerWaalsContact CE1-OD1 3.24Å; Y43-D45 WeakPolarHBondContact CE1-OD1 3.34Å; Y43-D45 PolarHBondContact OH-OD1 3.47Å; D45-Y47 PolarHBondContact O-N 2.9Å; D45-Y47 VanDerWaalsContact O-N 3.09Å
46	S	76.6	Confident	84.3	Confident	64 Å²	64	71.4 Å²	71.4	45%	0.448	39%	0.385	S	S	.	.			trans	-67.9	109.3	175	58.8	0	0	0	0	110.5	T44 I48	T44-S46 PolarHBondContact O-N 3.37Å; T44-S46 PolarHBondContact OG1-N 3.23Å; T44-S46 PolarHBondContact OG1-OG 2.92Å; S46-I48 PolarHBondContact O-N 3.49Å
47	Y	67.8	Low	84.3	Confident	138 Å²	138	73.6 Å²	73.6	54%	0.541	40%	0.396	S	S	.	.			trans	-77.5	110.3	169	179.8	-109.4	0	0	0	109.4	S27 G28 D45	S27-Y47 PolarHBondContact OG-OH 2.89Å; S27-Y47 VanDerWaalsContact OG-OH 3.11Å; G28-Y47 PolarHBondContact N-OH 3.34Å; D45-Y47 PolarHBondContact O-N 2.9Å; D45-Y47 VanDerWaalsContact O-N 3.09Å
48	I	72.1	Confident	84.2	Confident	128 Å²	128	74.9 Å²	74.9	66%	0.656	40%	0.401	S	S	*	.			trans	-117	122.6	168.5	-60.8	169.5	0	0	0	105.9	S46 T50	S46-I48 PolarHBondContact O-N 3.49Å; I48-T50 PolarHBondContact O-N 3.38Å
49	S	73.5	Confident	84.1	Confident	65 Å²	65	77.1 Å²	77.1	46%	0.455	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-58.4	116.9	170.8	-65	0	0	0	0	108.5	I51	S49-I51 PolarHBondContact O-N 2.79Å
50	T	67.1	Low	84.2	Confident	36 Å²	36	76.9 Å²	76.9	22%	0.221	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-55.8	130.4	176.2	-56.4	0	0	0	0	108.7	S32 I48 A75	S32-T50 PolarHBondContact OG-OG1 3.28Å; I48-T50 PolarHBondContact O-N 3.38Å; T50-A75 HydrophobicContact CG2-CB 4.35Å; T50-A75 WeakPolarHBondContact O-CB 3.49Å
51	I	69.6	Low	84.4	Confident	161 Å²	161	78.9 Å²	78.9	83%	0.826	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-98.5	124.6	178.4	-60.7	176.6	0	0	0	107.4	S49	S49-I51 PolarHBondContact O-N 2.79Å
52	G	74.1	Confident	84.4	Confident	44 Å²	44	75.2 Å²	75.2	45%	0.454	40%	0.398	S	S	.	.	S	Bend	trans	77.2	-128.7	177.9	0	0	0	0	0	113.8	A75	G52-A75 VanDerWaalsContact O-CA 3.3Å; G52-A75 WeakPolarHBondContact O-CA 2.99Å; G52-A75 WeakPolarHBondContact O-CB 3.38Å; G52-A75 PolarHBondContact O-N 2.84Å
53	V	79	Confident	84.4	Confident	43 Å²	43	77.8 Å²	77.8	26%	0.261	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	123.9	177.3	178.5	0	0	0	0	106.8	W72 D73 T74 Y87	V53-W72 HydrophobicContact CG1-CB 4.46Å; V53-W72 HydrophobicContact CG1-CE3 3.79Å; V53-D73 CarbonylContact C-O 3.54Å; V53-D73 WeakPolarHBondContact CA-O 3.49Å; V53-D73 WeakPolarHBondContact CG1-O 3.08Å; V53-T74 HydrophobicContact CG1-CG2 4.47Å; V53-T74 HydrophobicContact CG2-CG2 4.42Å; V53-Y87 HydrophobicContact CB-CE1 4.11Å; V53-Y87 HydrophobicContact CG1-CD1 4.38Å; V53-Y87 HydrophobicContact CG1-CE1 3.92Å; V53-Y87 HydrophobicContact CG2-CE1 3.82Å; V53-Y87 HydrophobicContact CG2-CE2 3.9Å; V53-Y87 VanDerWaalsContact CG2-CZ 3.45Å; V53-Y87 WeakPolarHBondContact CG2-OH 3.36Å
54	D	86.6	Confident	84.3	Confident	64 Å²	64	77.6 Å²	77.6	34%	0.342	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	150.1	173.6	-164.4	8.9	0	0	0	109.7	D73	D54-D73 HydrophobicContact CB-CB 4.31Å; D54-D73 PolarHBondContact N-O 2.87Å; D54-D73 PolarHBondContact O-N 3.46Å
55	F	89.3	Confident	84.6	Confident	75 Å²	75	78.3 Å²	78.3	33%	0.329	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	121.1	-175.1	174.6	-99.9	0	0	0	110.1	I57 Q70 I71 W72	F55-I57 HydrophobicContact CE1-CD1 3.72Å; F55-I57 HydrophobicContact CE1-CG1 3.56Å; F55-I57 HydrophobicContact CZ-CD1 3.82Å; F55-I57 HydrophobicContact CZ-CG1 3.57Å; F55-Q70 HydrophobicContact CE2-CB 3.79Å; F55-Q70 HydrophobicContact CE2-CG 4.03Å; F55-Q70 HydrophobicContact CZ-CB 4.14Å; F55-Q70 HydrophobicContact CZ-CG 3.85Å; F55-I71 WeakPolarHBondContact CA-O 3.31Å; F55-W72 AromaticContact CD2-CD1 3.99Å; F55-W72 AromaticContact CD2-CD2 3.68Å; F55-W72 HydrophobicContact CD2-CD2 3.68Å; F55-W72 AromaticContact CD2-CE2 3.44Å; F55-W72 VanDerWaalsContact CD2-CE2 3.44Å; F55-W72 HydrophobicContact CD2-CE3 4.17Å; F55-W72 HydrophobicContact CD2-CG 4.05Å; F55-W72 HydrophobicContact CD2-CH2 4.26Å; F55-W72 AromaticContact CD2-CZ2 3.77Å; F55-W72 HydrophobicContact CD2-CZ2 3.77Å; F55-W72 HydrophobicContact CD2-CZ3 4.44Å; F55-W72 AromaticContact CD2-NE1 3.64Å; F55-W72 HydrophobicContact CE2-CD2 4.26Å; F55-W72 AromaticContact CE2-CE2 3.57Å; F55-W72 AromaticContact CE2-CZ2 3.79Å; F55-W72 HydrophobicContact CE2-CZ2 3.79Å; F55-W72 AromaticContact CE2-NE1 3.45Å
56	K	93.4	Very high	85.2	Confident	56 Å²	56	73 Å²	73	24%	0.243	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.3	176.2	-70.2	-77.8	-165.4	153.8	0	110.4	L35 A39 D40 I71	L35-K56 HydrophobicContact CD1-CB 4Å; L35-K56 HydrophobicContact CD1-CG 4.29Å; L35-K56 HydrophobicContact CD2-CB 4.17Å; L35-K56 HydrophobicContact CD2-CG 3.9Å; L35-K56 HydrophobicContact CG-CB 4.35Å; L35-K56 HydrophobicContact CG-CG 4.11Å; A39-K56 HydrophobicContact CB-CB 4.37Å; A39-K56 HydrophobicContact CB-CD 4.47Å; A39-K56 HydrophobicContact CB-CG 4.37Å; D40-K56 IonicContact OD1-NZ 3.63Å; D40-K56 PolarHBondContact OD1-NZ 3.38Å; D40-K56 IonicContact OD2-NZ 3.17Å; D40-K56 PolarHBondContact OD2-NZ 2.94Å; K56-I71 PolarHBondContact N-O 3.19Å; K56-I71 PolarHBondContact O-N 2.86Å
57	I	93.9	Very high	86.2	Confident	96 Å²	96	69.9 Å²	69.9	49%	0.492	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127	170.8	-60.4	177.4	0	0	0	108.1	F55 L69 Q70	F55-I57 HydrophobicContact CE1-CD1 3.72Å; F55-I57 HydrophobicContact CE1-CG1 3.56Å; F55-I57 HydrophobicContact CZ-CD1 3.82Å; F55-I57 HydrophobicContact CZ-CG1 3.57Å; I57-L69 VanDerWaalsContact CA-O 3.27Å; I57-L69 WeakPolarHBondContact CA-O 3.37Å; I57-Q70 HydrophobicContact CG1-CG 4.26Å
58	R	94.5	Very high	87.5	Confident	71 Å²	71	65.8 Å²	65.8	27%	0.268	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.5	171.4	177.4	154.7	160.7	132.9	-10.6	109.6	F38 A39 I60 L69 E169	F38-R58 HydrophobicContact CE1-CB 3.91Å; F38-R58 HydrophobicContact CE1-CG 3.82Å; F38-R58 HydrophobicContact CZ-CG 3.99Å; F38-R58 VanDerWaalsContact CZ-NE 3.35Å; F38-R58 WeakPolarHBondContact O-CD 3.35Å; F38-R58 PolarHBondContact O-NE 3.14Å; F38-R58 PolarHBondContact O-NH1 3.22Å; F38-R58 PolarHBondContact O-NH2 3.48Å; A39-R58 PolarHBondContact O-NH1 2.84Å; R58-I60 HydrophobicContact CG-CG2 4.17Å; R58-L69 PolarHBondContact N-O 3Å; R58-L69 WeakPolarHBondContact O-CB 3.37Å; R58-L69 PolarHBondContact O-N 3.08Å; R58-E169 IonicContact CZ-OE2 2.67Å; R58-E169 IonicContact NH2-OE1 2.68Å; R58-E169 IonicContact NH2-OE2 3.46Å; R58-E169 PolarHBondContact NH2-OE2 3.28Å
59	T	95.2	Very high	88.8	Confident	49 Å²	49	59.7 Å²	59.7	30%	0.301	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.8	173.9	-54.8	0	0	0	0	108.6	T66 I67 K68	T59-T66 HydrophobicContact CG2-CG2 3.31Å; T59-I67 CarbonylContact C-O 3.5Å; T59-I67 WeakPolarHBondContact CA-O 3.39Å; T59-K68 HydrophobicContact CG2-CG 4.28Å; T59-K68 WeakPolarHBondContact OG1-CG 3.36Å
60	I	96	Very high	89.9	Confident	12 Å²	12	59 Å²	59	6%	0.062	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	162.5	176.3	60.7	168.8	0	0	0	110.1	F38 R58 I67 L69 L173 A176	F38-I60 HydrophobicContact CZ-CG2 3.98Å; R58-I60 HydrophobicContact CG-CG2 4.17Å; I60-I67 HydrophobicContact CD1-CB 4.45Å; I60-I67 HydrophobicContact CG1-CB 3.92Å; I60-I67 PolarHBondContact N-O 3.17Å; I60-I67 PolarHBondContact O-N 2.98Å; I60-L69 HydrophobicContact CD1-CD1 3.82Å; I60-L69 HydrophobicContact CD1-CD2 4.47Å; I60-L69 HydrophobicContact CD1-CG 4.19Å; I60-L69 HydrophobicContact CG1-CD1 4.29Å; I60-L69 HydrophobicContact CG1-CG 4.31Å; I60-L69 HydrophobicContact CG2-CD1 4.49Å; I60-L173 HydrophobicContact CB-CD2 4.31Å; I60-L173 HydrophobicContact CD1-CD2 3.47Å; I60-L173 VanDerWaalsContact CD1-CD2 3.47Å; I60-L173 HydrophobicContact CG1-CD2 4.44Å; I60-L173 HydrophobicContact CG2-CD2 4.44Å; I60-A176 HydrophobicContact CD1-CB 3.75Å
61	E	95.2	Very high	91.3	Very high	118 Å²	118	57.3 Å²	57.3	55%	0.551	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.4	167.9	-68.5	-173.7	-178.3	0	0	109.8	L11 K65	L11-E61 WeakPolarHBondContact CD1-OE1 3.49Å; E61-K65 WeakPolarHBondContact CA-O 3.39Å
62	L	94.4	Very high	92.4	Very high	31 Å²	31	52.9 Å²	52.9	16%	0.162	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	122.1	178.1	-174.9	67.1	0	0	0	109.6	G64 K65 I67 A176 K180	L62-G64 VanDerWaalsContact C-N 3.28Å; L62-G64 PolarHBondContact O-N 2.74Å; L62-K65 PolarHBondContact N-O 3.33Å; L62-K65 WeakPolarHBondContact O-CB 3.42Å; L62-K65 PolarHBondContact O-N 3.41Å; L62-I67 HydrophobicContact CB-CD1 3.83Å; L62-I67 HydrophobicContact CD2-CD1 4.13Å; L62-A176 HydrophobicContact CD2-CB 4.22Å; L62-K180 HydrophobicContact CD2-CD 4.49Å
63	D	91.9	Very high	93.3	Very high	122 Å²	122	50.9 Å²	50.9	65%	0.652	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	43	-176.4	-50.1	-39.4	0	0	0	113.6	K65 K180	D63-K65 PolarHBondContact O-N 3.02Å; D63-K180 IonicContact OD2-NZ 2.66Å; D63-K180 PolarHBondContact OD2-NZ 2.93Å
64	G	91.5	Very high	93.4	Very high	74 Å²	74	49 Å²	49	76%	0.763	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	13.9	-178.3	0	0	0	0	0	114.6	L62	L62-G64 VanDerWaalsContact C-N 3.28Å; L62-G64 PolarHBondContact O-N 2.74Å
65	K	92.8	Very high	92.6	Very high	77 Å²	77	46.3 Å²	46.3	34%	0.335	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.9	175.6	-63.5	-64.4	-174.7	-176.1	0	110.9	D16 Y17 E61 L62 D63	D16-K65 HydrophobicContact CB-CB 4.32Å; D16-K65 HydrophobicContact CB-CD 3.91Å; D16-K65 WeakPolarHBondContact OD1-CD 3.36Å; D16-K65 IonicContact OD1-NZ 2.84Å; D16-K65 PolarHBondContact OD1-NZ 3.42Å; D16-K65 WeakPolarHBondContact OD2-CA 3.43Å; Y17-K65 HydrophobicContact CD2-CB 4.22Å; Y17-K65 HydrophobicContact CE2-CB 4.12Å; Y17-K65 HydrophobicContact CE2-CD 4.27Å; Y17-K65 HydrophobicContact CE2-CG 4.05Å; E61-K65 WeakPolarHBondContact CA-O 3.39Å; L62-K65 PolarHBondContact N-O 3.33Å; L62-K65 WeakPolarHBondContact O-CB 3.42Å; L62-K65 PolarHBondContact O-N 3.41Å; D63-K65 PolarHBondContact O-N 3.02Å
66	T	94.9	Very high	91	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.049	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.5	175.7	-55.2	0	0	0	0	109.1	S15 D16 Y17 T59	S15-T66 CarbonylContact C-O 3.58Å; S15-T66 WeakPolarHBondContact CA-O 3.14Å; S15-T66 WeakPolarHBondContact CB-O 3.48Å; D16-T66 PolarHBondContact N-O 3.16Å; D16-T66 PolarHBondContact OD2-N 3.19Å; Y17-T66 PolarHBondContact N-O 3.05Å; T59-T66 HydrophobicContact CG2-CG2 3.31Å
67	I	96.9	Very high	89.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.9	-175.3	-50.7	179.5	0	0	0	109	Y17 F19 T59 I60 L62 L69 A176 K180	Y17-I67 HydrophobicContact CD2-CG1 4.23Å; F19-I67 HydrophobicContact CD2-CG2 3.43Å; F19-I67 VanDerWaalsContact CD2-CG2 3.43Å; F19-I67 HydrophobicContact CE2-CD1 3.98Å; F19-I67 HydrophobicContact CE2-CG2 3.62Å; F19-I67 HydrophobicContact CG-CG2 4.03Å; F19-I67 HydrophobicContact CZ-CG2 4.32Å; T59-I67 CarbonylContact C-O 3.5Å; T59-I67 WeakPolarHBondContact CA-O 3.39Å; I60-I67 HydrophobicContact CD1-CB 4.45Å; I60-I67 HydrophobicContact CG1-CB 3.92Å; I60-I67 PolarHBondContact N-O 3.17Å; I60-I67 PolarHBondContact O-N 2.98Å; L62-I67 HydrophobicContact CB-CD1 3.83Å; L62-I67 HydrophobicContact CD2-CD1 4.13Å; I67-L69 HydrophobicContact CG2-CD2 3.76Å; I67-A176 HydrophobicContact CD1-CB 4.46Å; I67-K180 HydrophobicContact CD1-CD 4.23Å
68	K	96.8	Very high	87	Confident	52 Å²	52	43.9 Å²	43.9	23%	0.226	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	115.5	168.6	-87	168	-176.3	160.6	0	109.6	L12 F13 S15 Y17 L18 F19 T59	L12-K68 WeakPolarHBondContact O-CE 3.47Å; L12-K68 PolarHBondContact O-NZ 2.84Å; F13-K68 PolarHBondContact O-NZ 3.21Å; F13-K68 VanDerWaalsContact O-NZ 3.14Å; S15-K68 WeakPolarHBondContact OG-CD 3.27Å; S15-K68 WeakPolarHBondContact OG-CE 3.27Å; S15-K68 WeakPolarHBondContact OG-CG 3.49Å; S15-K68 PolarHBondContact OG-NZ 3.43Å; Y17-K68 PolarHBondContact O-N 3.12Å; L18-K68 CarbonylContact C-O 3.46Å; L18-K68 WeakPolarHBondContact CA-O 3.47Å; L18-K68 HydrophobicContact CD1-CB 3.67Å; F19-K68 PolarHBondContact N-O 3.15Å; T59-K68 HydrophobicContact CG2-CG 4.28Å; T59-K68 WeakPolarHBondContact OG1-CG 3.36Å
69	L	98.1	Very high	85.2	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121	172.3	-57.2	-176.3	0	0	0	109.6	F19 L21 F38 I57 R58 I60 I67 I71 F172 A176	F19-L69 HydrophobicContact CB-CD2 3.91Å; F19-L69 HydrophobicContact CD2-CD2 4.05Å; F19-L69 HydrophobicContact CG-CD2 4.45Å; F19-L69 WeakPolarHBondContact O-CA 3.44Å; L21-L69 HydrophobicContact CD1-CD1 4.13Å; L21-L69 HydrophobicContact CD1-CD2 4.17Å; F38-L69 HydrophobicContact CE1-CD1 4.09Å; F38-L69 HydrophobicContact CZ-CD1 3.98Å; I57-L69 VanDerWaalsContact CA-O 3.27Å; I57-L69 WeakPolarHBondContact CA-O 3.37Å; R58-L69 PolarHBondContact N-O 3Å; R58-L69 WeakPolarHBondContact O-CB 3.37Å; R58-L69 PolarHBondContact O-N 3.08Å; I60-L69 HydrophobicContact CD1-CD1 3.82Å; I60-L69 HydrophobicContact CD1-CD2 4.47Å; I60-L69 HydrophobicContact CD1-CG 4.19Å; I60-L69 HydrophobicContact CG1-CD1 4.29Å; I60-L69 HydrophobicContact CG1-CG 4.31Å; I60-L69 HydrophobicContact CG2-CD1 4.49Å; I67-L69 HydrophobicContact CG2-CD2 3.76Å; L69-I71 HydrophobicContact CB-CD1 4.26Å; L69-I71 HydrophobicContact CB-CG1 4.07Å; L69-F172 HydrophobicContact CD1-CB 4.48Å; L69-A176 HydrophobicContact CD2-CB 4.22Å
70	Q	96.4	Very high	83.2	Confident	51 Å²	51	55 Å²	55	24%	0.238	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	99.3	169.3	-78.8	-174.7	-12.1	0	0	108.4	L18 F19 K20 L21 F55 I57	L18-Q70 HydrophobicContact CD1-CG 3.76Å; F19-Q70 PolarHBondContact O-N 3.18Å; K20-Q70 WeakPolarHBondContact CA-O 3.21Å; L21-Q70 PolarHBondContact N-O 2.83Å; F55-Q70 HydrophobicContact CE2-CB 3.79Å; F55-Q70 HydrophobicContact CE2-CG 4.03Å; F55-Q70 HydrophobicContact CZ-CB 4.14Å; F55-Q70 HydrophobicContact CZ-CG 3.85Å; I57-Q70 HydrophobicContact CG1-CG 4.26Å
71	I	96.6	Very high	81.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.6	-172.9	-52.5	165.9	0	0	0	108.9	L21 L23 L35 F38 F55 K56 L69 F172	L21-I71 HydrophobicContact CB-CG1 4.28Å; L21-I71 HydrophobicContact CD1-CG1 4.28Å; L23-I71 HydrophobicContact CD1-CG2 4.17Å; L23-I71 HydrophobicContact CD2-CG2 4.41Å; L23-I71 HydrophobicContact CG-CG2 4.01Å; L35-I71 HydrophobicContact CD1-CB 3.83Å; L35-I71 HydrophobicContact CD1-CD1 3.89Å; L35-I71 HydrophobicContact CD1-CG1 4.48Å; L35-I71 HydrophobicContact CD1-CG2 3.64Å; L35-I71 HydrophobicContact CD2-CG2 4.44Å; F38-I71 HydrophobicContact CD1-CD1 3.59Å; F38-I71 HydrophobicContact CE1-CD1 3.5Å; F38-I71 VanDerWaalsContact CE1-CD1 3.5Å; F55-I71 WeakPolarHBondContact CA-O 3.31Å; K56-I71 PolarHBondContact N-O 3.19Å; K56-I71 PolarHBondContact O-N 2.86Å; L69-I71 HydrophobicContact CB-CD1 4.26Å; L69-I71 HydrophobicContact CB-CG1 4.07Å; I71-F172 HydrophobicContact CD1-CD1 3.84Å; I71-F172 HydrophobicContact CD1-CE1 3.68Å; I71-F172 HydrophobicContact CG1-CE1 4.34Å; I71-F172 HydrophobicContact CG2-CE1 4.14Å
72	W	94	Very high	79.8	Confident	68 Å²	68	57.1 Å²	57.1	26%	0.258	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.6	176.4	-64.4	76.7	0	0	0	108.3	L21 L22 L23 V53 F55 Y87	L21-W72 PolarHBondContact O-N 2.86Å; L22-W72 HydrophobicContact CD1-CB 3.69Å; L23-W72 PolarHBondContact N-O 3.07Å; V53-W72 HydrophobicContact CG1-CB 4.46Å; V53-W72 HydrophobicContact CG1-CE3 3.79Å; F55-W72 AromaticContact CD2-CD1 3.99Å; F55-W72 AromaticContact CD2-CD2 3.68Å; F55-W72 HydrophobicContact CD2-CD2 3.68Å; F55-W72 AromaticContact CD2-CE2 3.44Å; F55-W72 VanDerWaalsContact CD2-CE2 3.44Å; F55-W72 HydrophobicContact CD2-CE3 4.17Å; F55-W72 HydrophobicContact CD2-CG 4.05Å; F55-W72 HydrophobicContact CD2-CH2 4.26Å; F55-W72 AromaticContact CD2-CZ2 3.77Å; F55-W72 HydrophobicContact CD2-CZ2 3.77Å; F55-W72 HydrophobicContact CD2-CZ3 4.44Å; F55-W72 AromaticContact CD2-NE1 3.64Å; F55-W72 HydrophobicContact CE2-CD2 4.26Å; F55-W72 AromaticContact CE2-CE2 3.57Å; F55-W72 AromaticContact CE2-CZ2 3.79Å; F55-W72 HydrophobicContact CE2-CZ2 3.79Å; F55-W72 AromaticContact CE2-NE1 3.45Å; W72-Y87 AromaticContact CE3-CD1 3.93Å; W72-Y87 HydrophobicContact CE3-CD1 3.93Å; W72-Y87 AromaticContact CE3-CE1 3.85Å; W72-Y87 HydrophobicContact CE3-CE1 3.85Å; W72-Y87 HydrophobicContact CZ3-CD1 4.3Å; W72-Y87 AromaticContact CZ3-CE1 3.89Å; W72-Y87 HydrophobicContact CZ3-CE1 3.89Å
73	D	91.2	Very high	78.5	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	110.5	172.1	176	46.4	0	0	0	109	L23 K31 S32 L35 V53 D54	L23-D73 HydrophobicContact CD1-CB 4.35Å; K31-D73 WeakPolarHBondContact CB-OD1 3.32Å; S32-D73 VanDerWaalsContact CA-OD2 3.3Å; S32-D73 WeakPolarHBondContact CA-OD2 3.49Å; S32-D73 WeakPolarHBondContact CB-OD2 3.39Å; S32-D73 PolarHBondContact OG-OD2 2.99Å; L35-D73 HydrophobicContact CD2-CB 3.49Å; L35-D73 VanDerWaalsContact CD2-CB 3.49Å; V53-D73 CarbonylContact C-O 3.54Å; V53-D73 WeakPolarHBondContact CA-O 3.49Å; V53-D73 WeakPolarHBondContact CG1-O 3.08Å; D54-D73 HydrophobicContact CB-CB 4.31Å; D54-D73 PolarHBondContact N-O 2.87Å; D54-D73 PolarHBondContact O-N 3.46Å
74	T	81.6	Confident	77.6	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.9	179.6	60.4	0	0	0	0	109.8	L22 L23 K31 V53 I83	L22-T74 HydrophobicContact CD1-CG2 3.61Å; L22-T74 HydrophobicContact CG-CG2 4.47Å; L23-T74 PolarHBondContact O-OG1 3.3Å; L23-T74 VanDerWaalsContact O-OG1 3.1Å; K31-T74 WeakPolarHBondContact CE-O 3.33Å; V53-T74 HydrophobicContact CG1-CG2 4.47Å; V53-T74 HydrophobicContact CG2-CG2 4.42Å; T74-I83 HydrophobicContact CG2-CD1 4.04Å; T74-I83 HydrophobicContact CG2-CG1 4.47Å; T74-I83 HydrophobicContact CG2-CG2 4.13Å
75	A	69.6	Low	76.9	Confident	7 Å²	7	53.7 Å²	53.7	6%	0.058	26%	0.259	C	S	.	.			trans	-48.9	151.5	163.2	0	0	0	0	0	110.2	T50 G52 Q77	T50-A75 HydrophobicContact CG2-CB 4.35Å; T50-A75 WeakPolarHBondContact O-CB 3.49Å; G52-A75 VanDerWaalsContact O-CA 3.3Å; G52-A75 WeakPolarHBondContact O-CA 2.99Å; G52-A75 WeakPolarHBondContact O-CB 3.38Å; G52-A75 PolarHBondContact O-N 2.84Å; A75-Q77 PolarHBondContact O-N 2.91Å
76	G	56.5	Low	76.5	Confident	20 Å²	20	53.2 Å²	53.2	21%	0.206	27%	0.265	C	S	.	.			trans	-62	69.9	159.4	0	0	0	0	0	112.8	E78	G76-E78 WeakPolarHBondContact CA-OE2 3.45Å; G76-E78 PolarHBondContact O-N 3.3Å
77	Q	54.5	Low	76.1	Confident	112 Å²	112	55.9 Å²	55.9	52%	0.523	28%	0.275	S	S	.	.			trans	-81.3	26.7	160.6	-85.1	-73.3	95.7	0	0	110.7	A75 R79 F80	A75-Q77 PolarHBondContact O-N 2.91Å; Q77-R79 PolarHBondContact O-N 3.47Å; Q77-F80 PolarHBondContact O-N 3.42Å
78	E	48.8	Very low	75.9	Confident	43 Å²	43	55.9 Å²	55.9	20%	0.201	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-65.1	-19.4	-178.6	74.9	-69.6	154.6	0	0	114.2	S27 G76 F80 R81 W112	S27-E78 WeakPolarHBondContact CB-OE1 3.34Å; S27-E78 WeakPolarHBondContact CB-OE2 3.21Å; S27-E78 PolarHBondContact OG-OE1 3.49Å; S27-E78 PolarHBondContact OG-OE2 3.06Å; S27-E78 VanDerWaalsContact OG-OE2 3.11Å; G76-E78 WeakPolarHBondContact CA-OE2 3.45Å; G76-E78 PolarHBondContact O-N 3.3Å; E78-F80 PolarHBondContact O-N 3.48Å; E78-R81 WeakPolarHBondContact O-CG 3.27Å; E78-R81 PolarHBondContact O-N 2.84Å; E78-W112 HydrophobicContact CB-CZ2 4.41Å
79	R	56	Low	75.6	Confident	199 Å²	199	62.8 Å²	62.8	75%	0.751	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-52.7	-23.6	178.5	-76.6	-163.5	-65.7	164.5	-1.4	112.1	Q77	Q77-R79 PolarHBondContact O-N 3.47Å
80	F	53.5	Low	75.2	Confident	156 Å²	156	64.6 Å²	64.6	68%	0.684	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-125.7	9.6	170.3	-54.7	-66.2	0	0	0	114.9	Q77 E78 T82	Q77-F80 PolarHBondContact O-N 3.42Å; E78-F80 PolarHBondContact O-N 3.48Å; F80-T82 PolarHBondContact O-N 3.03Å; F80-T82 PolarHBondContact O-OG1 2.93Å
81	R	57.4	Low	75.2	Confident	80 Å²	80	62.4 Å²	62.4	30%	0.302	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	38.2	46.9	-175	-57.6	-174	-168.9	-172.3	4.2	112.5	E78 N108 E111	E78-R81 WeakPolarHBondContact O-CG 3.27Å; E78-R81 PolarHBondContact O-N 2.84Å; R81-N108 VanDerWaalsContact CZ-CG 3.48Å; R81-N108 PolarHBondContact NH1-OD1 3.02Å; R81-N108 VanDerWaalsContact NH1-OD1 3.12Å; R81-N108 PolarHBondContact NH2-ND2 2.93Å; R81-N108 PolarHBondContact NH2-OD1 2.93Å; R81-E111 VanDerWaalsContact NH1-CG 3.33Å
82	T	63.2	Low	75.3	Confident	93 Å²	93	65.3 Å²	65.3	57%	0.571	32%	0.322	S	S	*	.			trans	-124.7	83	-178.3	-55.6	0	0	0	0	107.2	F80	F80-T82 PolarHBondContact O-N 3.03Å; F80-T82 PolarHBondContact O-OG1 2.93Å
83	I	66.8	Low	75.5	Confident	13 Å²	13	62.1 Å²	62.1	7%	0.067	31%	0.31	C	S	.	.			trans	-73.3	135	160.3	-63.2	172.2	0	0	0	106.2	I24 T74 S85 Y87 Y88 W112	I24-I83 HydrophobicContact CB-CD1 4.14Å; I24-I83 HydrophobicContact CG2-CD1 3.61Å; T74-I83 HydrophobicContact CG2-CD1 4.04Å; T74-I83 HydrophobicContact CG2-CG1 4.47Å; T74-I83 HydrophobicContact CG2-CG2 4.13Å; I83-S85 PolarHBondContact O-N 2.66Å; I83-Y87 HydrophobicContact CG2-CD2 3.73Å; I83-Y87 HydrophobicContact CG2-CG 4.21Å; I83-Y88 HydrophobicContact CB-CE2 3.77Å; I83-Y88 HydrophobicContact CG2-CD2 4.34Å; I83-Y88 HydrophobicContact CG2-CE2 3.74Å; I83-W112 HydrophobicContact CD1-CE3 4.4Å; I83-W112 HydrophobicContact CD1-CH2 4.14Å; I83-W112 HydrophobicContact CD1-CZ3 3.53Å; I83-W112 HydrophobicContact CG1-CZ3 4.08Å
84	T	72.2	Confident	75.8	Confident	81 Å²	81	62 Å²	62	50%	0.497	31%	0.31	S	S	.	.			trans	-57.9	129.7	177.1	-48	0	0	0	0	109.3	S86 Y87	T84-S86 WeakPolarHBondContact CB-OG 3.45Å; T84-S86 WeakPolarHBondContact CG2-OG 3.42Å; T84-S86 PolarHBondContact O-N 3.25Å; T84-Y87 WeakPolarHBondContact O-CD2 3.4Å; T84-Y87 PolarHBondContact O-N 2.83Å
85	S	77.4	Confident	76.6	Confident	62 Å²	62	62 Å²	62	43%	0.434	31%	0.309	S	S	.	.	H	α-helix	trans	-51.5	-23.4	179	58.3	0	0	0	0	113.6	I83 Y87 Y88 R89 Y119	I83-S85 PolarHBondContact O-N 2.66Å; S85-Y87 VanDerWaalsContact C-N 3.29Å; S85-Y87 PolarHBondContact O-N 3.15Å; S85-Y88 PolarHBondContact O-N 3.25Å; S85-R89 PolarHBondContact O-N 3Å; S85-Y119 VanDerWaalsContact CB-CD1 3.44Å
86	S	83.9	Confident	77.9	Confident	67 Å²	67	61.6 Å²	61.6	47%	0.469	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-31.3	173.7	60.4	0	0	0	0	114.5	T84 R89	T84-S86 WeakPolarHBondContact CB-OG 3.45Å; T84-S86 WeakPolarHBondContact CG2-OG 3.42Å; T84-S86 PolarHBondContact O-N 3.25Å; S86-R89 PolarHBondContact O-N 3.31Å
87	Y	87.6	Confident	79.9	Confident	63 Å²	63	60.7 Å²	60.7	25%	0.247	30%	0.297	C	S	.	.	H	α-helix	trans	-72.8	-38.7	-179.9	-67.9	-70.8	0	0	0	111.9	K20 V53 W72 I83 T84 S85 R89	K20-Y87 WeakPolarHBondContact CE-O 3.34Å; K20-Y87 PolarHBondContact NZ-O 3.28Å; V53-Y87 HydrophobicContact CB-CE1 4.11Å; V53-Y87 HydrophobicContact CG1-CD1 4.38Å; V53-Y87 HydrophobicContact CG1-CE1 3.92Å; V53-Y87 HydrophobicContact CG2-CE1 3.82Å; V53-Y87 HydrophobicContact CG2-CE2 3.9Å; V53-Y87 VanDerWaalsContact CG2-CZ 3.45Å; V53-Y87 WeakPolarHBondContact CG2-OH 3.36Å; W72-Y87 AromaticContact CE3-CD1 3.93Å; W72-Y87 HydrophobicContact CE3-CD1 3.93Å; W72-Y87 AromaticContact CE3-CE1 3.85Å; W72-Y87 HydrophobicContact CE3-CE1 3.85Å; W72-Y87 HydrophobicContact CZ3-CD1 4.3Å; W72-Y87 AromaticContact CZ3-CE1 3.89Å; W72-Y87 HydrophobicContact CZ3-CE1 3.89Å; I83-Y87 HydrophobicContact CG2-CD2 3.73Å; I83-Y87 HydrophobicContact CG2-CG 4.21Å; T84-Y87 WeakPolarHBondContact O-CD2 3.4Å; T84-Y87 PolarHBondContact O-N 2.83Å; S85-Y87 VanDerWaalsContact C-N 3.29Å; S85-Y87 PolarHBondContact O-N 3.15Å; Y87-R89 VanDerWaalsContact C-N 3.31Å; Y87-R89 PolarHBondContact O-N 3.32Å
88	Y	91.8	Very high	82	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-36.2	174.3	-66.1	-88.8	0	0	0	112.2	L22 I24 I83 S85 G90 A91 I94 E115 I116 Y119 A120	L22-Y88 HydrophobicContact CD2-CD1 4.05Å; L22-Y88 HydrophobicContact CD2-CE1 4.15Å; L22-Y88 HydrophobicContact CD2-CG 4.3Å; I24-Y88 HydrophobicContact CD1-CE1 4.32Å; I83-Y88 HydrophobicContact CB-CE2 3.77Å; I83-Y88 HydrophobicContact CG2-CD2 4.34Å; I83-Y88 HydrophobicContact CG2-CE2 3.74Å; S85-Y88 PolarHBondContact O-N 3.25Å; Y88-G90 PolarHBondContact O-N 3.37Å; Y88-A91 WeakPolarHBondContact O-CB 3.35Å; Y88-A91 PolarHBondContact O-N 3.18Å; Y88-I94 HydrophobicContact CD1-CD1 3.81Å; Y88-I94 HydrophobicContact CE1-CD1 4.35Å; Y88-E115 HydrophobicContact CE1-CB 4.42Å; Y88-E115 PolarHBondContact OH-OE2 2.84Å; Y88-I116 HydrophobicContact CD1-CG1 4.33Å; Y88-I116 HydrophobicContact CE1-CG1 3.89Å; Y88-Y119 HydrophobicContact CD2-CD2 4.09Å; Y88-Y119 HydrophobicContact CD2-CG 4.34Å; Y88-Y119 HydrophobicContact CE2-CD2 4.11Å; Y88-A120 HydrophobicContact CD1-CB 4.43Å
89	R	89.7	Confident	84.3	Confident	198 Å²	198	53.8 Å²	53.8	75%	0.747	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	123.8	-178.5	-172.2	175.9	175.5	83	0.4	111.1	K20 S85 S86 Y87 A91	K20-R89 PolarHBondContact NZ-O 3.49Å; S85-R89 PolarHBondContact O-N 3Å; S86-R89 PolarHBondContact O-N 3.31Å; Y87-R89 VanDerWaalsContact C-N 3.31Å; Y87-R89 PolarHBondContact O-N 3.32Å; R89-A91 PolarHBondContact O-N 2.81Å
90	G	91.4	Very high	86.4	Confident	37 Å²	37	44.3 Å²	44.3	38%	0.381	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	10	179.1	0	0	0	0	0	115	Y88 H92	Y88-G90 PolarHBondContact O-N 3.37Å; G90-H92 PolarHBondContact O-N 3.03Å; G90-H92 PolarHBondContact O-ND1 3.02Å
91	A	96.4	Very high	88.5	Confident	6 Å²	6	38.5 Å²	38.5	5%	0.05	21%	0.206	C	C	.	.			trans	-62.3	132.3	166.9	0	0	0	0	0	109.2	Y88 R89 I94 V124	Y88-A91 WeakPolarHBondContact O-CB 3.35Å; Y88-A91 PolarHBondContact O-N 3.18Å; R89-A91 PolarHBondContact O-N 2.81Å; A91-I94 HydrophobicContact CB-CD1 4.15Å; A91-I94 HydrophobicContact CB-CG1 3.92Å; A91-V124 HydrophobicContact CB-CG2 4.4Å; A91-V124 WeakPolarHBondContact O-CG2 3.33Å
92	H	97.5	Very high	90.5	Very high	61 Å²	61	37.5 Å²	37.5	28%	0.282	21%	0.207	S	C	.	.	S	Bend	trans	-86.2	-34.7	176.3	-63.5	82.5	0	0	0	110.7	F19 K20 G90 N125 I179 R182	F19-H92 HydrophobicContact CB-CB 4.46Å; K20-H92 PolarHBondContact N-ND1 2.86Å; K20-H92 PolarHBondContact O-N 3Å; G90-H92 PolarHBondContact O-N 3.03Å; G90-H92 PolarHBondContact O-ND1 3.02Å; H92-N125 PolarHBondContact O-N 3.02Å; H92-I179 HydrophobicContact CB-CD1 3.9Å; H92-I179 HydrophobicContact CB-CG1 4.35Å; H92-I179 HydrophobicContact CB-CG2 4.03Å; H92-R182 PolarHBondContact O-NH1 2.94Å; H92-R182 PolarHBondContact O-NH2 2.89Å; H92-R182 VanDerWaalsContact O-NH2 3.08Å
93	G	98.4	Very high	92.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.2	171.2	0	0	0	0	0	112.4	K20 L21 L22 N125	K20-G93 PolarHBondContact O-N 2.81Å; L21-G93 WeakPolarHBondContact CA-O 3.39Å; L22-G93 PolarHBondContact N-O 2.79Å; G93-N125 CarbonylContact C-O 3.44Å; G93-N125 WeakPolarHBondContact CA-O 3.31Å
94	I	97.7	Very high	93.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.3	-178.5	-57.3	178.4	0	0	0	108.5	L22 I24 Y88 A91 I116 A120 V124 N125 K126 L127 M175	L22-I94 HydrophobicContact CB-CG1 4.18Å; L22-I94 HydrophobicContact CB-CG2 4.4Å; L22-I94 WeakPolarHBondContact O-CA 3.38Å; I24-I94 HydrophobicContact CD1-CG2 3.84Å; I24-I94 HydrophobicContact CG1-CG2 3.88Å; I24-I94 HydrophobicContact CG2-CG2 4.3Å; Y88-I94 HydrophobicContact CD1-CD1 3.81Å; Y88-I94 HydrophobicContact CE1-CD1 4.35Å; A91-I94 HydrophobicContact CB-CD1 4.15Å; A91-I94 HydrophobicContact CB-CG1 3.92Å; I94-I116 HydrophobicContact CB-CD1 4.28Å; I94-I116 HydrophobicContact CD1-CB 4.47Å; I94-I116 HydrophobicContact CD1-CD1 4.45Å; I94-I116 HydrophobicContact CD1-CG1 3.88Å; I94-I116 HydrophobicContact CD1-CG2 3.93Å; I94-I116 HydrophobicContact CG2-CD1 3.8Å; I94-I116 HydrophobicContact CG2-CG1 4.14Å; I94-A120 HydrophobicContact CD1-CB 3.97Å; I94-V124 HydrophobicContact CD1-CG2 3.97Å; I94-V124 HydrophobicContact CG1-CG2 3.8Å; I94-N125 PolarHBondContact N-O 2.99Å; I94-K126 WeakPolarHBondContact O-CA 2.9Å; I94-L127 PolarHBondContact O-N 3.28Å; I94-L127 VanDerWaalsContact O-N 3.07Å; I94-M175 VanDerWaalsContact O-CE 3.31Å; I94-M175 WeakPolarHBondContact O-CE 3.33Å
95	I	98.5	Very high	94.7	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.6	177.1	-55	179.6	0	0	0	107.5	L22 L23 I24 V97 L127 V129 F172 M175	L22-I95 PolarHBondContact O-N 3.35Å; L23-I95 HydrophobicContact CD2-CB 3.72Å; L23-I95 HydrophobicContact CD2-CD1 3.87Å; L23-I95 HydrophobicContact CD2-CG1 4.14Å; L23-I95 HydrophobicContact CD2-CG2 4.32Å; I24-I95 PolarHBondContact N-O 3.43Å; I95-V97 HydrophobicContact CG2-CG2 4.01Å; I95-L127 WeakPolarHBondContact CA-O 3.28Å; I95-L127 HydrophobicContact CD1-CD2 4.32Å; I95-L127 HydrophobicContact CG1-CB 4.42Å; I95-L127 HydrophobicContact CG1-CD2 4.25Å; I95-L127 HydrophobicContact CG2-CD2 4.34Å; I95-V129 HydrophobicContact CG2-CB 4.1Å; I95-V129 HydrophobicContact CG2-CG2 3.47Å; I95-V129 VanDerWaalsContact CG2-CG2 3.47Å; I95-F172 HydrophobicContact CD1-CD1 4.02Å; I95-F172 HydrophobicContact CD1-CE1 3.97Å; I95-M175 HydrophobicContact CD1-CB 4.4Å; I95-M175 HydrophobicContact CG1-CE 3.78Å; I95-M175 HydrophobicContact CG1-CG 4.41Å
96	V	97.3	Very high	95.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.9	177.1	-169	0	0	0	0	108	I24 V109 W112 L113 I116 L127 L128 V129	I24-V96 HydrophobicContact CD1-CG2 3.99Å; I24-V96 HydrophobicContact CG1-CB 4.31Å; I24-V96 HydrophobicContact CG1-CG1 4.24Å; I24-V96 HydrophobicContact CG1-CG2 3.93Å; V96-V109 HydrophobicContact CG1-CG1 4.07Å; V96-V109 HydrophobicContact CG1-CG2 4.33Å; V96-W112 HydrophobicContact CG1-CB 3.94Å; V96-W112 HydrophobicContact CG1-CG 4.46Å; V96-L113 HydrophobicContact CG2-CD2 4.26Å; V96-I116 HydrophobicContact CG2-CD1 3.69Å; V96-L127 PolarHBondContact N-O 2.99Å; V96-L128 HydrophobicContact CB-CD1 4.3Å; V96-L128 HydrophobicContact CG1-CD1 4.47Å; V96-V129 PolarHBondContact O-N 2.91Å
97	V	97.8	Very high	96.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.2	-174.1	-170.3	0	0	0	0	109.8	I24 G25 V29 K31 L34 I95 V129 N131	I24-V97 PolarHBondContact O-N 3.38Å; G25-V97 WeakPolarHBondContact CA-O 3.34Å; V29-V97 HydrophobicContact CB-CG1 4.27Å; V29-V97 HydrophobicContact CG2-CB 3.93Å; V29-V97 HydrophobicContact CG2-CG1 3.81Å; K31-V97 HydrophobicContact CG-CB 4.12Å; K31-V97 HydrophobicContact CG-CG2 4.2Å; L34-V97 HydrophobicContact CD1-CG1 3.91Å; L34-V97 HydrophobicContact CD1-CG2 4.18Å; I95-V97 HydrophobicContact CG2-CG2 4.01Å; V97-V129 WeakPolarHBondContact CA-O 3.41Å; V97-V129 HydrophobicContact CG1-CG1 4.42Å; V97-V129 HydrophobicContact CG2-CB 4.4Å; V97-N131 HydrophobicContact CG1-CB 3.82Å
98	Y	98.2	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	168	165.8	75.5	-86	0	0	0	110	I100 F106 V109 L128 V129 N131 V141 A146 F157	Y98-I100 HydrophobicContact CE2-CB 4.49Å; Y98-I100 HydrophobicContact CE2-CG2 3.88Å; Y98-F106 AromaticContact CD1-CD2 3.95Å; Y98-F106 HydrophobicContact CD1-CD2 3.95Å; Y98-F106 HydrophobicContact CD2-CB 3.76Å; Y98-F106 AromaticContact CD2-CD2 3.93Å; Y98-F106 HydrophobicContact CD2-CD2 3.93Å; Y98-F106 HydrophobicContact CD2-CG 4.3Å; Y98-F106 AromaticContact CE1-CD2 3.85Å; Y98-F106 HydrophobicContact CE1-CD2 3.85Å; Y98-F106 HydrophobicContact CE1-CE2 4.28Å; Y98-F106 HydrophobicContact CE2-CB 4.23Å; Y98-F106 AromaticContact CE2-CD2 3.85Å; Y98-F106 HydrophobicContact CE2-CD2 3.85Å; Y98-F106 HydrophobicContact CE2-CG 4.39Å; Y98-F106 HydrophobicContact CG-CB 4.16Å; Y98-F106 AromaticContact CG-CD2 4Å; Y98-F106 HydrophobicContact CG-CD2 4Å; Y98-F106 AromaticContact CZ-CD2 3.81Å; Y98-V109 HydrophobicContact CD1-CG2 4.28Å; Y98-V109 HydrophobicContact CG-CG2 4.43Å; Y98-L128 HydrophobicContact CD1-CD1 3.87Å; Y98-L128 HydrophobicContact CD1-CG 4.31Å; Y98-L128 HydrophobicContact CE1-CD1 4.14Å; Y98-L128 HydrophobicContact CE1-CD2 4.33Å; Y98-L128 HydrophobicContact CE1-CG 4.07Å; Y98-V129 WeakPolarHBondContact CD1-O 3.26Å; Y98-V129 PolarHBondContact N-O 2.88Å; Y98-N131 PolarHBondContact O-N 3.22Å; Y98-V141 HydrophobicContact CD2-CG2 4.37Å; Y98-V141 HydrophobicContact CE2-CB 3.94Å; Y98-V141 HydrophobicContact CE2-CG1 3.69Å; Y98-V141 HydrophobicContact CE2-CG2 4.1Å; Y98-A146 HydrophobicContact CE1-CB 4.43Å; Y98-A146 WeakPolarHBondContact OH-CB 3.3Å; Y98-F157 AromaticContact CE1-CE2 3.97Å; Y98-F157 HydrophobicContact CE1-CE2 3.97Å; Y98-F157 WeakPolarHBondContact OH-CE2 3.42Å
99	D	98.3	Very high	96.9	Very high	9 Å²	9	33.2 Å²	33.2	5%	0.048	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.6	175.7	177.8	-11.2	0	0	0	109.3	V29 T101 D102 S105 K132	V29-D99 HydrophobicContact CB-CB 4.26Å; V29-D99 HydrophobicContact CG1-CB 4.21Å; D99-T101 VanDerWaalsContact CG-OG1 3.24Å; D99-T101 PolarHBondContact O-N 2.89Å; D99-T101 WeakPolarHBondContact OD1-CA 2.76Å; D99-T101 WeakPolarHBondContact OD1-CB 3.26Å; D99-T101 PolarHBondContact OD1-N 2.8Å; D99-T101 PolarHBondContact OD1-OG1 3.17Å; D99-T101 PolarHBondContact OD2-OG1 2.94Å; D99-D102 HydrophobicContact CB-CB 4.06Å; D99-D102 CarbonylContact O-C 3.45Å; D99-D102 PolarHBondContact O-N 2.88Å; D99-D102 VanDerWaalsContact O-O 3.1Å; D99-S105 PolarHBondContact N-OG 3.47Å; D99-S105 PolarHBondContact O-OG 3.16Å; D99-K132 VanDerWaalsContact OD2-CD 3.27Å; D99-K132 WeakPolarHBondContact OD2-CD 3.17Å; D99-K132 WeakPolarHBondContact OD2-CE 3.3Å; D99-K132 IonicContact OD2-NZ 3.21Å; D99-K132 PolarHBondContact OD2-NZ 2.88Å
100	I	98.8	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.8	-178.6	65.9	142.6	0	0	0	113.6	Y98 N131 K132 C133 R139 V140 V141 E159	Y98-I100 HydrophobicContact CE2-CB 4.49Å; Y98-I100 HydrophobicContact CE2-CG2 3.88Å; I100-N131 WeakPolarHBondContact CG1-O 2.66Å; I100-N131 PolarHBondContact N-O 3.27Å; I100-K132 WeakPolarHBondContact CG1-O 3.28Å; I100-C133 HydrophobicContact CD1-CB 4.4Å; I100-R139 HydrophobicContact CD1-CB 4.14Å; I100-R139 HydrophobicContact CD1-CG 4.21Å; I100-V140 PolarHBondContact O-N 2.82Å; I100-V141 PolarHBondContact O-N 2.52Å; I100-E159 HydrophobicContact CG2-CG 4.44Å
101	T	98.7	Very high	97.3	Very high	35 Å²	35	29.9 Å²	29.9	22%	0.215	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	0.4	177	73.1	0	0	0	0	113.3	D99 L135 K138 V140	D99-T101 VanDerWaalsContact CG-OG1 3.24Å; D99-T101 PolarHBondContact O-N 2.89Å; D99-T101 WeakPolarHBondContact OD1-CA 2.76Å; D99-T101 WeakPolarHBondContact OD1-CB 3.26Å; D99-T101 PolarHBondContact OD1-N 2.8Å; D99-T101 PolarHBondContact OD1-OG1 3.17Å; D99-T101 PolarHBondContact OD2-OG1 2.94Å; T101-L135 HydrophobicContact CG2-CB 3.63Å; T101-L135 HydrophobicContact CG2-CD1 3.94Å; T101-L135 HydrophobicContact CG2-CG 4.43Å; T101-K138 WeakPolarHBondContact CA-O 3.3Å; T101-K138 WeakPolarHBondContact CB-O 3.49Å; T101-K138 HydrophobicContact CG2-CB 3.73Å; T101-V140 VanDerWaalsContact C-CG2 3.43Å; T101-V140 WeakPolarHBondContact O-CG2 3.49Å
102	D	98	Very high	97.2	Very high	58 Å²	58	29.9 Å²	29.9	31%	0.31	15%	0.148	S	C	.	.			trans	-130	103.8	178.5	-178.4	-7.7	0	0	0	110.9	D99 D104 S105 F106	D99-D102 HydrophobicContact CB-CB 4.06Å; D99-D102 CarbonylContact O-C 3.45Å; D99-D102 PolarHBondContact O-N 2.88Å; D99-D102 VanDerWaalsContact O-O 3.1Å; D102-D104 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 2.86Å; D102-D104 WeakPolarHBondContact OD1-CB 3.35Å; D102-D104 PolarHBondContact OD1-N 3.32Å; D102-S105 PolarHBondContact O-N 3.42Å; D102-S105 PolarHBondContact O-OG 3.41Å; D102-S105 PolarHBondContact OD1-N 3.3Å; D102-F106 PolarHBondContact O-N 3.2Å
103	Q	98.4	Very high	97.1	Very high	69 Å²	69	27.4 Å²	27.4	32%	0.322	14%	0.137	S	C	.	.	H	α-helix	trans	-63	-33.1	-179.6	-174.2	61.2	55.3	0	0	112.7	S105 F106 N107 V140	Q103-S105 VanDerWaalsContact C-N 3.34Å; Q103-F106 PolarHBondContact O-N 3.37Å; Q103-N107 PolarHBondContact NE2-OD1 3.17Å; Q103-N107 VanDerWaalsContact NE2-OD1 3.15Å; Q103-N107 PolarHBondContact O-N 2.82Å; Q103-N107 PolarHBondContact O-ND2 2.98Å; Q103-N107 PolarHBondContact O-OD1 2.79Å; Q103-V140 HydrophobicContact CB-CG2 3.96Å; Q103-V140 PolarHBondContact OE1-O 2.87Å
104	D	96.9	Very high	96.8	Very high	105 Å²	105	31.3 Å²	31.3	56%	0.561	15%	0.154	S	C	*	.	H	α-helix	trans	-68.6	-38.5	180	-73.4	-33.8	0	0	0	110.6	D102 F106 N107 N108	D102-D104 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 2.86Å; D102-D104 WeakPolarHBondContact OD1-CB 3.35Å; D102-D104 PolarHBondContact OD1-N 3.32Å; D104-F106 VanDerWaalsContact C-N 3.26Å; D104-F106 PolarHBondContact O-N 3.07Å; D104-N107 PolarHBondContact O-N 2.94Å; D104-N107 VanDerWaalsContact O-N 3.16Å; D104-N108 WeakPolarHBondContact O-CB 3.45Å; D104-N108 PolarHBondContact O-N 2.94Å; D104-N108 PolarHBondContact O-ND2 3.19Å
105	S	96.3	Very high	96.5	Very high	1 Å²	1	32 Å²	32	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-38	175.4	81.4	0	0	0	0	112.5	D26 D99 D102 Q103	D26-S105 WeakPolarHBondContact OD2-CA 3.37Å; D99-S105 PolarHBondContact N-OG 3.47Å; D99-S105 PolarHBondContact O-OG 3.16Å; D102-S105 PolarHBondContact O-N 3.42Å; D102-S105 PolarHBondContact O-OG 3.41Å; D102-S105 PolarHBondContact OD1-N 3.3Å; Q103-S105 VanDerWaalsContact C-N 3.34Å
106	F	98.6	Very high	96.3	Very high	19 Å²	19	32 Å²	32	8%	0.083	16%	0.158	C	C	.	.	H	α-helix	trans	-71.6	-45.4	173.9	179.7	-105.1	0	0	0	111.9	Y98 D102 Q103 D104 N108 V109 L128 V141 T145 A146 Y149	Y98-F106 AromaticContact CD1-CD2 3.95Å; Y98-F106 HydrophobicContact CD1-CD2 3.95Å; Y98-F106 HydrophobicContact CD2-CB 3.76Å; Y98-F106 AromaticContact CD2-CD2 3.93Å; Y98-F106 HydrophobicContact CD2-CD2 3.93Å; Y98-F106 HydrophobicContact CD2-CG 4.3Å; Y98-F106 AromaticContact CE1-CD2 3.85Å; Y98-F106 HydrophobicContact CE1-CD2 3.85Å; Y98-F106 HydrophobicContact CE1-CE2 4.28Å; Y98-F106 HydrophobicContact CE2-CB 4.23Å; Y98-F106 AromaticContact CE2-CD2 3.85Å; Y98-F106 HydrophobicContact CE2-CD2 3.85Å; Y98-F106 HydrophobicContact CE2-CG 4.39Å; Y98-F106 HydrophobicContact CG-CB 4.16Å; Y98-F106 AromaticContact CG-CD2 4Å; Y98-F106 HydrophobicContact CG-CD2 4Å; Y98-F106 AromaticContact CZ-CD2 3.81Å; D102-F106 PolarHBondContact O-N 3.2Å; Q103-F106 PolarHBondContact O-N 3.37Å; D104-F106 VanDerWaalsContact C-N 3.26Å; D104-F106 PolarHBondContact O-N 3.07Å; F106-N108 PolarHBondContact O-N 3.36Å; F106-N108 VanDerWaalsContact O-N 3.11Å; F106-V109 HydrophobicContact CD2-CG2 4.45Å; F106-V109 VanDerWaalsContact O-CB 3.24Å; F106-V109 WeakPolarHBondContact O-CB 3.28Å; F106-V109 VanDerWaalsContact O-CG2 3.29Å; F106-V109 WeakPolarHBondContact O-CG2 3.2Å; F106-V109 PolarHBondContact O-N 3.17Å; F106-L128 HydrophobicContact CE2-CD2 4.43Å; F106-V141 HydrophobicContact CB-CG1 4.17Å; F106-V141 HydrophobicContact CB-CG2 3.72Å; F106-V141 HydrophobicContact CD1-CG1 4.09Å; F106-V141 HydrophobicContact CD2-CG1 3.96Å; F106-V141 HydrophobicContact CE1-CG1 4.48Å; F106-V141 HydrophobicContact CE2-CG1 4.37Å; F106-V141 HydrophobicContact CG-CG1 3.79Å; F106-V141 HydrophobicContact CG-CG2 4.25Å; F106-T145 HydrophobicContact CE1-CG2 4.42Å; F106-A146 HydrophobicContact CD2-CB 4.39Å; F106-A146 HydrophobicContact CE2-CB 3.64Å; F106-A146 HydrophobicContact CZ-CB 4.09Å; F106-Y149 HydrophobicContact CE2-CD1 4.14Å; F106-Y149 AromaticContact CZ-CD1 3.92Å; F106-Y149 HydrophobicContact CZ-CD1 3.92Å; F106-Y149 HydrophobicContact CZ-CG 4.24Å
107	N	97.7	Very high	96.1	Very high	68 Å²	68	38.4 Å²	38.4	36%	0.364	19%	0.188	S	C	.	.	H	α-helix	trans	-57.6	-29.1	177	-67.8	-20.8	0	0	0	112.4	Q103 D104 K110	Q103-N107 PolarHBondContact NE2-OD1 3.17Å; Q103-N107 VanDerWaalsContact NE2-OD1 3.15Å; Q103-N107 PolarHBondContact O-N 2.82Å; Q103-N107 PolarHBondContact O-ND2 2.98Å; Q103-N107 PolarHBondContact O-OD1 2.79Å; D104-N107 PolarHBondContact O-N 2.94Å; D104-N107 VanDerWaalsContact O-N 3.16Å; N107-K110 WeakPolarHBondContact O-CD 3.35Å; N107-K110 VanDerWaalsContact O-CE 3.27Å; N107-K110 WeakPolarHBondContact O-CE 3.38Å; N107-K110 WeakPolarHBondContact O-CG 3.35Å
108	N	95.2	Very high	95.8	Very high	27 Å²	27	46.8 Å²	46.8	14%	0.144	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.3	-179.7	-67.4	-31.3	0	0	0	114.2	D26 R81 D104 F106 K110 E111 W112	D26-N108 PolarHBondContact OD2-ND2 2.9Å; R81-N108 VanDerWaalsContact CZ-CG 3.48Å; R81-N108 PolarHBondContact NH1-OD1 3.02Å; R81-N108 VanDerWaalsContact NH1-OD1 3.12Å; R81-N108 PolarHBondContact NH2-ND2 2.93Å; R81-N108 PolarHBondContact NH2-OD1 2.93Å; D104-N108 WeakPolarHBondContact O-CB 3.45Å; D104-N108 PolarHBondContact O-N 2.94Å; D104-N108 PolarHBondContact O-ND2 3.19Å; F106-N108 PolarHBondContact O-N 3.36Å; F106-N108 VanDerWaalsContact O-N 3.11Å; N108-K110 PolarHBondContact O-N 2.61Å; N108-K110 VanDerWaalsContact O-N 3.17Å; N108-E111 PolarHBondContact O-N 2.82Å; N108-W112 VanDerWaalsContact O-CD1 3.24Å; N108-W112 PolarHBondContact O-N 2.86Å
109	V	96.1	Very high	95.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-51.6	-39.5	174.6	171.1	0	0	0	0	111.4	V96 Y98 F106 E111 W112 L113 L128 Y149	V96-V109 HydrophobicContact CG1-CG1 4.07Å; V96-V109 HydrophobicContact CG1-CG2 4.33Å; Y98-V109 HydrophobicContact CD1-CG2 4.28Å; Y98-V109 HydrophobicContact CG-CG2 4.43Å; F106-V109 HydrophobicContact CD2-CG2 4.45Å; F106-V109 VanDerWaalsContact O-CB 3.24Å; F106-V109 WeakPolarHBondContact O-CB 3.28Å; F106-V109 VanDerWaalsContact O-CG2 3.29Å; F106-V109 WeakPolarHBondContact O-CG2 3.2Å; F106-V109 PolarHBondContact O-N 3.17Å; V109-E111 VanDerWaalsContact C-N 3.26Å; V109-E111 PolarHBondContact O-N 2.89Å; V109-W112 WeakPolarHBondContact O-CB 3.47Å; V109-W112 PolarHBondContact O-N 3.44Å; V109-W112 VanDerWaalsContact O-N 3.17Å; V109-L113 HydrophobicContact CG1-CD1 3.86Å; V109-L113 HydrophobicContact CG1-CG 4.18Å; V109-L113 WeakPolarHBondContact O-CG 3.34Å; V109-L113 PolarHBondContact O-N 3.29Å; V109-L128 HydrophobicContact CG1-CD1 3.68Å; V109-L128 HydrophobicContact CG2-CD1 3.97Å; V109-Y149 HydrophobicContact CB-CE1 4.48Å; V109-Y149 HydrophobicContact CG1-CE1 3.94Å
110	K	95.9	Very high	95.3	Very high	106 Å²	106	52 Å²	52	46%	0.461	24%	0.243	S	C	.	.	H	α-helix	trans	-58.8	-35	177.6	73.6	-167	176.5	-173.8	0	113.4	N107 N108 K114	N107-K110 WeakPolarHBondContact O-CD 3.35Å; N107-K110 VanDerWaalsContact O-CE 3.27Å; N107-K110 WeakPolarHBondContact O-CE 3.38Å; N107-K110 WeakPolarHBondContact O-CG 3.35Å; N108-K110 PolarHBondContact O-N 2.61Å; N108-K110 VanDerWaalsContact O-N 3.17Å; K110-K114 WeakPolarHBondContact O-CG 3.29Å; K110-K114 PolarHBondContact O-N 3.03Å; K110-K114 VanDerWaalsContact O-N 3.16Å
111	E	92.5	Very high	94.9	Very high	59 Å²	59	55.5 Å²	55.5	28%	0.276	27%	0.266	S	S	.	.	H	α-helix	trans	-77.2	-38.7	178.4	-60.5	-53.3	141	0	0	110.6	R81 N108 V109 L113 K114 E115	R81-E111 VanDerWaalsContact NH1-CG 3.33Å; N108-E111 PolarHBondContact O-N 2.82Å; V109-E111 VanDerWaalsContact C-N 3.26Å; V109-E111 PolarHBondContact O-N 2.89Å; E111-L113 VanDerWaalsContact C-N 3.28Å; E111-L113 PolarHBondContact O-N 2.71Å; E111-K114 WeakPolarHBondContact O-CB 3.25Å; E111-K114 PolarHBondContact O-N 2.99Å; E111-K114 IonicContact OE1-NZ 2.74Å; E111-K114 PolarHBondContact OE1-NZ 2.8Å; E111-K114 VanDerWaalsContact OE2-CD 3.31Å; E111-K114 WeakPolarHBondContact OE2-CD 3.33Å; E111-K114 IonicContact OE2-NZ 3.22Å; E111-K114 PolarHBondContact OE2-NZ 3.1Å; E111-E115 PolarHBondContact O-N 3.12Å
112	W	93.8	Very high	94.4	Very high	6 Å²	6	63 Å²	63	2%	0.023	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-38.9	171.4	-68.9	115.3	0	0	0	112.4	I24 G25 D26 E78 I83 V96 N108 V109 E115 I116	I24-W112 HydrophobicContact CB-CE3 4.12Å; I24-W112 HydrophobicContact CB-CZ3 4.46Å; I24-W112 HydrophobicContact CD1-CB 3.87Å; I24-W112 HydrophobicContact CD1-CD2 4.47Å; I24-W112 HydrophobicContact CD1-CE3 4.07Å; I24-W112 HydrophobicContact CD1-CG 4.46Å; I24-W112 HydrophobicContact CG1-CB 4.47Å; I24-W112 HydrophobicContact CG1-CE3 4.42Å; G25-W112 VanDerWaalsContact C-CE2 3.47Å; G25-W112 VanDerWaalsContact O-CZ2 3.28Å; G25-W112 WeakPolarHBondContact O-CZ2 3.27Å; D26-W112 PolarHBondContact OD1-NE1 3.23Å; E78-W112 HydrophobicContact CB-CZ2 4.41Å; I83-W112 HydrophobicContact CD1-CE3 4.4Å; I83-W112 HydrophobicContact CD1-CH2 4.14Å; I83-W112 HydrophobicContact CD1-CZ3 3.53Å; I83-W112 HydrophobicContact CG1-CZ3 4.08Å; V96-W112 HydrophobicContact CG1-CB 3.94Å; V96-W112 HydrophobicContact CG1-CG 4.46Å; N108-W112 VanDerWaalsContact O-CD1 3.24Å; N108-W112 PolarHBondContact O-N 2.86Å; V109-W112 WeakPolarHBondContact O-CB 3.47Å; V109-W112 PolarHBondContact O-N 3.44Å; V109-W112 VanDerWaalsContact O-N 3.17Å; W112-E115 PolarHBondContact O-N 2.92Å; W112-I116 WeakPolarHBondContact O-CG1 3.28Å; W112-I116 PolarHBondContact O-N 2.97Å; W112-I116 VanDerWaalsContact O-N 3.12Å
113	L	95.1	Very high	93.9	Very high	9 Å²	9	66 Å²	66	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-66.3	-40.9	175	-69.9	170.1	0	0	0	112.4	V96 V109 E111 E115 I116 E117 K126 Y149 L153	V96-L113 HydrophobicContact CG2-CD2 4.26Å; V109-L113 HydrophobicContact CG1-CD1 3.86Å; V109-L113 HydrophobicContact CG1-CG 4.18Å; V109-L113 WeakPolarHBondContact O-CG 3.34Å; V109-L113 PolarHBondContact O-N 3.29Å; E111-L113 VanDerWaalsContact C-N 3.28Å; E111-L113 PolarHBondContact O-N 2.71Å; L113-E115 VanDerWaalsContact C-N 3.29Å; L113-E115 PolarHBondContact O-N 3.11Å; L113-I116 HydrophobicContact CD2-CD1 4.14Å; L113-I116 WeakPolarHBondContact O-CB 3.29Å; L113-I116 PolarHBondContact O-N 2.82Å; L113-E117 WeakPolarHBondContact O-CG 3.24Å; L113-E117 PolarHBondContact O-N 2.86Å; L113-K126 HydrophobicContact CD2-CD 4.21Å; L113-Y149 HydrophobicContact CD1-CE1 4.37Å; L113-L153 HydrophobicContact CD1-CD1 3.38Å; L113-L153 HydrophobicContact CD1-CD2 4.37Å
114	K	93.1	Very high	93.9	Very high	82 Å²	82	63.4 Å²	63.4	36%	0.357	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-35.7	173.4	-71.7	168.4	-173.8	171.6	0	112.3	K110 E111 E117 R118	K110-K114 WeakPolarHBondContact O-CG 3.29Å; K110-K114 PolarHBondContact O-N 3.03Å; K110-K114 VanDerWaalsContact O-N 3.16Å; E111-K114 WeakPolarHBondContact O-CB 3.25Å; E111-K114 PolarHBondContact O-N 2.99Å; E111-K114 IonicContact OE1-NZ 2.74Å; E111-K114 PolarHBondContact OE1-NZ 2.8Å; E111-K114 VanDerWaalsContact OE2-CD 3.31Å; E111-K114 WeakPolarHBondContact OE2-CD 3.33Å; E111-K114 IonicContact OE2-NZ 3.22Å; E111-K114 PolarHBondContact OE2-NZ 3.1Å; K114-E117 PolarHBondContact O-N 2.75Å; K114-R118 VanDerWaalsContact O-CG 3.23Å; K114-R118 WeakPolarHBondContact O-CG 3.42Å; K114-R118 PolarHBondContact O-N 3.27Å
115	E	91.2	Very high	93.9	Very high	16 Å²	16	59.5 Å²	59.5	8%	0.075	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-41.1	173.8	-76.5	-175.5	-135.3	0	0	112	Y88 E111 W112 L113 E117 R118 Y119	Y88-E115 HydrophobicContact CE1-CB 4.42Å; Y88-E115 PolarHBondContact OH-OE2 2.84Å; E111-E115 PolarHBondContact O-N 3.12Å; W112-E115 PolarHBondContact O-N 2.92Å; L113-E115 VanDerWaalsContact C-N 3.29Å; L113-E115 PolarHBondContact O-N 3.11Å; E115-E117 VanDerWaalsContact C-N 3.32Å; E115-E117 PolarHBondContact O-N 2.78Å; E115-R118 PolarHBondContact O-N 3.17Å; E115-Y119 HydrophobicContact CB-CD2 4.33Å; E115-Y119 HydrophobicContact CB-CE2 4.49Å; E115-Y119 HydrophobicContact CG-CE2 4.38Å; E115-Y119 VanDerWaalsContact O-CD2 3.28Å; E115-Y119 WeakPolarHBondContact O-CD2 3.47Å; E115-Y119 PolarHBondContact O-N 3.03Å
116	I	93.6	Very high	94	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-58.4	-47.8	173.9	-65.3	162.9	0	0	0	110.2	I24 Y88 I94 V96 W112 L113 R118 Y119 A120 V124 K126	I24-I116 HydrophobicContact CD1-CD1 3.61Å; I24-I116 HydrophobicContact CD1-CG1 3.76Å; Y88-I116 HydrophobicContact CD1-CG1 4.33Å; Y88-I116 HydrophobicContact CE1-CG1 3.89Å; I94-I116 HydrophobicContact CB-CD1 4.28Å; I94-I116 HydrophobicContact CD1-CB 4.47Å; I94-I116 HydrophobicContact CD1-CD1 4.45Å; I94-I116 HydrophobicContact CD1-CG1 3.88Å; I94-I116 HydrophobicContact CD1-CG2 3.93Å; I94-I116 HydrophobicContact CG2-CD1 3.8Å; I94-I116 HydrophobicContact CG2-CG1 4.14Å; V96-I116 HydrophobicContact CG2-CD1 3.69Å; W112-I116 WeakPolarHBondContact O-CG1 3.28Å; W112-I116 PolarHBondContact O-N 2.97Å; W112-I116 VanDerWaalsContact O-N 3.12Å; L113-I116 HydrophobicContact CD2-CD1 4.14Å; L113-I116 WeakPolarHBondContact O-CB 3.29Å; L113-I116 PolarHBondContact O-N 2.82Å; I116-R118 PolarHBondContact O-N 3.2Å; I116-Y119 PolarHBondContact O-N 2.85Å; I116-A120 HydrophobicContact CG2-CB 3.83Å; I116-A120 WeakPolarHBondContact O-CB 3.17Å; I116-A120 PolarHBondContact O-N 3.13Å; I116-V124 HydrophobicContact CG2-CG1 3.67Å; I116-K126 HydrophobicContact CG2-CD 4.44Å; I116-K126 HydrophobicContact CG2-CG 4.49Å
117	E	93.8	Very high	94.1	Very high	135 Å²	135	60.9 Å²	60.9	63%	0.631	29%	0.289	S	S	*	.	H	α-helix	trans	-60	-33.8	178.1	-71.2	168.9	-172.9	0	0	112.9	L113 K114 E115	L113-E117 WeakPolarHBondContact O-CG 3.24Å; L113-E117 PolarHBondContact O-N 2.86Å; K114-E117 PolarHBondContact O-N 2.75Å; E115-E117 VanDerWaalsContact C-N 3.32Å; E115-E117 PolarHBondContact O-N 2.78Å
118	R	92.2	Very high	94.1	Very high	176 Å²	176	57.7 Å²	57.7	66%	0.664	27%	0.271	S	S	*	.	H	α-helix	trans	-77.5	-35.8	-179.9	-73.5	171.2	-176.6	-178.4	2.7	113.9	K114 E115 I116	K114-R118 VanDerWaalsContact O-CG 3.23Å; K114-R118 WeakPolarHBondContact O-CG 3.42Å; K114-R118 PolarHBondContact O-N 3.27Å; E115-R118 PolarHBondContact O-N 3.17Å; I116-R118 PolarHBondContact O-N 3.2Å
119	Y	92.2	Very high	94.3	Very high	102 Å²	102	56.4 Å²	56.4	40%	0.4	27%	0.265	S	S	.	.	H	α-helix	trans	-121.5	-19.8	-165.1	-56.3	-54.6	0	0	0	115.3	S85 Y88 E115 I116	S85-Y119 VanDerWaalsContact CB-CD1 3.44Å; Y88-Y119 HydrophobicContact CD2-CD2 4.09Å; Y88-Y119 HydrophobicContact CD2-CG 4.34Å; Y88-Y119 HydrophobicContact CE2-CD2 4.11Å; E115-Y119 HydrophobicContact CB-CD2 4.33Å; E115-Y119 HydrophobicContact CB-CE2 4.49Å; E115-Y119 HydrophobicContact CG-CE2 4.38Å; E115-Y119 VanDerWaalsContact O-CD2 3.28Å; E115-Y119 WeakPolarHBondContact O-CD2 3.47Å; E115-Y119 PolarHBondContact O-N 3.03Å; I116-Y119 PolarHBondContact O-N 2.85Å
120	A	94	Very high	94.4	Very high	18 Å²	18	56.4 Å²	56.4	15%	0.149	27%	0.265	C	S	.	.	S	Bend	trans	-91	166.6	178.3	0	0	0	0	0	111.7	Y88 I94 I116 V124	Y88-A120 HydrophobicContact CD1-CB 4.43Å; I94-A120 HydrophobicContact CD1-CB 3.97Å; I116-A120 HydrophobicContact CG2-CB 3.83Å; I116-A120 WeakPolarHBondContact O-CB 3.17Å; I116-A120 PolarHBondContact O-N 3.13Å; A120-V124 HydrophobicContact CB-CB 4.28Å; A120-V124 HydrophobicContact CB-CG1 3.78Å
121	C	90.5	Very high	94.6	Very high	73 Å²	73	51.5 Å²	51.5	49%	0.493	24%	0.243	S	C	.	.			trans	-68.2	143.9	171.9	-58.2	0	0	0	0	110.2	N123 V124	C121-N123 PolarHBondContact O-N 2.94Å; C121-V124 WeakPolarHBondContact O-CB 3.24Å; C121-V124 VanDerWaalsContact O-CG1 3.31Å; C121-V124 WeakPolarHBondContact O-CG1 3.29Å; C121-V124 PolarHBondContact O-N 3.36Å
122	E	86.9	Confident	94.8	Very high	192 Å²	192	51.3 Å²	51.3	90%	0.897	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-37.9	-177.4	-68.5	-180	171.1	0	0	113.4	V124	E122-V124 VanDerWaalsContact C-N 3.34Å; E122-V124 PolarHBondContact O-N 3.33Å
123	N	88.5	Confident	95.1	Very high	122 Å²	122	52 Å²	52	65%	0.652	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	2.9	-174.8	-62.8	-16.3	0	0	0	114.2	C121 N125 R182	C121-N123 PolarHBondContact O-N 2.94Å; N123-N125 PolarHBondContact O-N 3.25Å; N123-R182 WeakPolarHBondContact O-CD 3.38Å; N123-R182 PolarHBondContact O-NH1 3.42Å
124	V	97	Very high	95.2	Very high	13 Å²	13	53.8 Å²	53.8	8%	0.079	26%	0.257	C	S	.	.			trans	-55.7	130.9	-175.6	70	0	0	0	0	111.5	A91 I94 I116 A120 C121 E122	A91-V124 HydrophobicContact CB-CG2 4.4Å; A91-V124 WeakPolarHBondContact O-CG2 3.33Å; I94-V124 HydrophobicContact CD1-CG2 3.97Å; I94-V124 HydrophobicContact CG1-CG2 3.8Å; I116-V124 HydrophobicContact CG2-CG1 3.67Å; A120-V124 HydrophobicContact CB-CB 4.28Å; A120-V124 HydrophobicContact CB-CG1 3.78Å; C121-V124 WeakPolarHBondContact O-CB 3.24Å; C121-V124 VanDerWaalsContact O-CG1 3.31Å; C121-V124 WeakPolarHBondContact O-CG1 3.29Å; C121-V124 PolarHBondContact O-N 3.36Å; E122-V124 VanDerWaalsContact C-N 3.34Å; E122-V124 PolarHBondContact O-N 3.33Å
125	N	98.5	Very high	95.4	Very high	23 Å²	23	52.4 Å²	52.4	12%	0.123	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140.7	175.7	-70.8	91.5	0	0	0	109.2	H92 G93 I94 N123 M175 E178 I179 R182	H92-N125 PolarHBondContact O-N 3.02Å; G93-N125 CarbonylContact C-O 3.44Å; G93-N125 WeakPolarHBondContact CA-O 3.31Å; I94-N125 PolarHBondContact N-O 2.99Å; N123-N125 PolarHBondContact O-N 3.25Å; N125-M175 HydrophobicContact CB-SD 3.76Å; N125-E178 HydrophobicContact CB-CB 4.48Å; N125-I179 HydrophobicContact CB-CG1 3.99Å; N125-R182 WeakPolarHBondContact OD1-CD 3.33Å; N125-R182 PolarHBondContact OD1-NE 3.33Å; N125-R182 PolarHBondContact OD1-NH1 2.68Å; N125-R182 PolarHBondContact OD1-NH2 2.62Å
126	K	98.6	Very high	95.7	Very high	50 Å²	50	56.4 Å²	56.4	22%	0.217	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147.3	179.6	-63.5	165.3	-169.7	162.6	0	108.5	I94 L113 I116 I155 P156	I94-K126 WeakPolarHBondContact O-CA 2.9Å; L113-K126 HydrophobicContact CD2-CD 4.21Å; I116-K126 HydrophobicContact CG2-CD 4.44Å; I116-K126 HydrophobicContact CG2-CG 4.49Å; K126-I155 HydrophobicContact CB-CB 4.32Å; K126-I155 HydrophobicContact CB-CD1 4.48Å; K126-I155 HydrophobicContact CB-CG2 3.81Å; K126-I155 HydrophobicContact CD-CG2 4.25Å; K126-P156 VanDerWaalsContact O-CD 3.28Å; K126-P156 WeakPolarHBondContact O-CD 3.11Å; K126-P156 WeakPolarHBondContact O-CG 3.34Å
127	L	98.8	Very high	95.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	128.3	172.5	172	66.5	0	0	0	108.3	I94 I95 V96 V129 P156 L158 A171 T174 M175	I94-L127 PolarHBondContact O-N 3.28Å; I94-L127 VanDerWaalsContact O-N 3.07Å; I95-L127 WeakPolarHBondContact CA-O 3.28Å; I95-L127 HydrophobicContact CD1-CD2 4.32Å; I95-L127 HydrophobicContact CG1-CB 4.42Å; I95-L127 HydrophobicContact CG1-CD2 4.25Å; I95-L127 HydrophobicContact CG2-CD2 4.34Å; V96-L127 PolarHBondContact N-O 2.99Å; L127-V129 HydrophobicContact CD2-CG2 3.96Å; L127-V129 HydrophobicContact CG-CG2 3.93Å; L127-P156 HydrophobicContact CB-CG 4.39Å; L127-P156 HydrophobicContact CD1-CB 3.66Å; L127-P156 HydrophobicContact CD1-CG 3.77Å; L127-P156 WeakPolarHBondContact CD1-O 3.09Å; L127-L158 HydrophobicContact CD1-CD2 3.42Å; L127-L158 VanDerWaalsContact CD1-CD2 3.42Å; L127-L158 HydrophobicContact CD2-CD2 3.88Å; L127-L158 HydrophobicContact CG-CD2 3.97Å; L127-A171 HydrophobicContact CD2-CB 4.19Å; L127-A171 VanDerWaalsContact CD2-O 3.25Å; L127-A171 WeakPolarHBondContact CD2-O 3.49Å; L127-T174 HydrophobicContact CD1-CG2 4.46Å; L127-M175 HydrophobicContact CB-CE 3.3Å; L127-M175 HydrophobicContact CD2-CB 4.38Å; L127-M175 HydrophobicContact CD2-CE 4.49Å
128	L	98.9	Very high	96.1	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.6	172.2	-175.2	62.5	0	0	0	109.5	V96 Y98 F106 V109 Y149 A150 I155 P156 F157 L158	V96-L128 HydrophobicContact CB-CD1 4.3Å; V96-L128 HydrophobicContact CG1-CD1 4.47Å; Y98-L128 HydrophobicContact CD1-CD1 3.87Å; Y98-L128 HydrophobicContact CD1-CG 4.31Å; Y98-L128 HydrophobicContact CE1-CD1 4.14Å; Y98-L128 HydrophobicContact CE1-CD2 4.33Å; Y98-L128 HydrophobicContact CE1-CG 4.07Å; F106-L128 HydrophobicContact CE2-CD2 4.43Å; V109-L128 HydrophobicContact CG1-CD1 3.68Å; V109-L128 HydrophobicContact CG2-CD1 3.97Å; L128-Y149 HydrophobicContact CD2-CD1 4.38Å; L128-A150 HydrophobicContact CB-CB 4.49Å; L128-A150 HydrophobicContact CD2-CB 4.07Å; L128-I155 HydrophobicContact CB-CD1 4.02Å; L128-P156 PolarHBondContact N-O 2.95Å; L128-F157 HydrophobicContact CB-CB 4.48Å; L128-F157 HydrophobicContact CB-CD2 4.03Å; L128-F157 HydrophobicContact CD2-CD2 3.93Å; L128-F157 HydrophobicContact CD2-CE2 4.44Å; L128-F157 HydrophobicContact CG-CD2 3.84Å; L128-F157 HydrophobicContact CG-CE2 4.4Å; L128-F157 WeakPolarHBondContact O-CA 3.17Å; L128-F157 WeakPolarHBondContact O-CD2 3.23Å; L128-L158 PolarHBondContact O-N 3.32Å
129	V	98.9	Very high	96.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.8	179	173.1	0	0	0	0	110.6	L34 I95 V96 V97 Y98 L127 L158 T160 A171	L34-V129 HydrophobicContact CD1-CG1 4.14Å; I95-V129 HydrophobicContact CG2-CB 4.1Å; I95-V129 HydrophobicContact CG2-CG2 3.47Å; I95-V129 VanDerWaalsContact CG2-CG2 3.47Å; V96-V129 PolarHBondContact O-N 2.91Å; V97-V129 WeakPolarHBondContact CA-O 3.41Å; V97-V129 HydrophobicContact CG1-CG1 4.42Å; V97-V129 HydrophobicContact CG2-CB 4.4Å; Y98-V129 WeakPolarHBondContact CD1-O 3.26Å; Y98-V129 PolarHBondContact N-O 2.88Å; L127-V129 HydrophobicContact CD2-CG2 3.96Å; L127-V129 HydrophobicContact CG-CG2 3.93Å; V129-L158 WeakPolarHBondContact CA-O 3.08Å; V129-L158 HydrophobicContact CG2-CD2 3.99Å; V129-T160 HydrophobicContact CG1-CG2 3.64Å; V129-T160 WeakPolarHBondContact CG1-OG1 3.23Å; V129-A171 HydrophobicContact CG2-CB 4.29Å
130	G	98.9	Very high	96.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	102.6	168.2	0	0	0	0	0	110.7	L158 E159 T160	G130-L158 PolarHBondContact N-O 3.15Å; G130-L158 VanDerWaalsContact N-O 3.14Å; G130-E159 CarbonylContact O-C 3.6Å; G130-E159 WeakPolarHBondContact O-CA 3.47Å; G130-E159 WeakPolarHBondContact O-CB 3.14Å; G130-T160 PolarHBondContact O-N 2.93Å
131	N	98.8	Very high	97	Very high	2 Å²	2	55 Å²	55	1%	0.011	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	166.5	-176.2	-168.1	36.3	0	0	0	112.8	V29 L34 V97 Y98 I100 T160 A162	V29-N131 PolarHBondContact O-ND2 3.44Å; L34-N131 HydrophobicContact CD1-CB 4.24Å; V97-N131 HydrophobicContact CG1-CB 3.82Å; Y98-N131 PolarHBondContact O-N 3.22Å; I100-N131 WeakPolarHBondContact CG1-O 2.66Å; I100-N131 PolarHBondContact N-O 3.27Å; N131-T160 CarbonylContact C-O 3.58Å; N131-T160 VanDerWaalsContact CA-O 3.29Å; N131-T160 WeakPolarHBondContact CA-O 3.27Å; N131-T160 PolarHBondContact OD1-O 2.8Å; N131-T160 PolarHBondContact OD1-OG1 3.36Å; N131-A162 PolarHBondContact OD1-N 3.46Å
132	K	98.3	Very high	97.4	Very high	56 Å²	56	55.2 Å²	55.2	24%	0.243	30%	0.295	C	S	.	.			trans	67.1	33.8	-178.4	-46.1	-169.7	-165	165.8	0	113.6	G28 D99 I100 D134 L135 T160	G28-K132 VanDerWaalsContact O-CE 3.26Å; G28-K132 WeakPolarHBondContact O-CE 3.18Å; G28-K132 PolarHBondContact O-NZ 3.33Å; D99-K132 VanDerWaalsContact OD2-CD 3.27Å; D99-K132 WeakPolarHBondContact OD2-CD 3.17Å; D99-K132 WeakPolarHBondContact OD2-CE 3.3Å; D99-K132 IonicContact OD2-NZ 3.21Å; D99-K132 PolarHBondContact OD2-NZ 2.88Å; I100-K132 WeakPolarHBondContact CG1-O 3.28Å; K132-D134 WeakPolarHBondContact CA-OD1 3.35Å; K132-D134 PolarHBondContact O-N 3.46Å; K132-L135 HydrophobicContact CB-CD1 4.06Å; K132-L135 HydrophobicContact CB-CG 4.36Å; K132-L135 HydrophobicContact CD-CD1 4.18Å; K132-L135 WeakPolarHBondContact O-CB 3.43Å; K132-L135 PolarHBondContact O-N 2.83Å; K132-T160 PolarHBondContact N-O 2.97Å
133	C	98.6	Very high	97.9	Very high	20 Å²	20	50.6 Å²	50.6	14%	0.135	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.8	179.3	75.5	0	0	0	0	114.3	I100 L135 E159 T160	I100-C133 HydrophobicContact CD1-CB 4.4Å; C133-L135 PolarHBondContact O-N 2.73Å; C133-E159 HydrophobicContact CB-CB 3.93Å; C133-T160 PolarHBondContact N-O 3.04Å; C133-T160 VanDerWaalsContact N-O 3.07Å; C133-T160 PolarHBondContact SG-O 3.14Å; C133-T160 VanDerWaalsContact SG-O 3.37Å
134	D	98.2	Very high	98.4	Very high	47 Å²	47	50 Å²	50	25%	0.251	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.7	170.5	61.1	-73.9	0	0	0	113.5	K132 T136 S161 K163	K132-D134 WeakPolarHBondContact CA-OD1 3.35Å; K132-D134 PolarHBondContact O-N 3.46Å; D134-T136 VanDerWaalsContact C-N 3.26Å; D134-T136 PolarHBondContact O-N 2.74Å; D134-T136 VanDerWaalsContact O-N 3.15Å; D134-S161 VanDerWaalsContact CG-OG 3.24Å; D134-S161 VanDerWaalsContact OD1-CB 3.25Å; D134-S161 WeakPolarHBondContact OD1-CB 3.21Å; D134-S161 PolarHBondContact OD1-OG 3.3Å; D134-K163 WeakPolarHBondContact OD2-CD 3.32Å
135	L	97.7	Very high	98.5	Very high	53 Å²	53	52.9 Å²	52.9	28%	0.277	29%	0.285	S	S	.	.			trans	-88.7	47.9	-179	-59.7	-178.4	0	0	0	112.4	T101 K132 C133 A137 K138 R139	T101-L135 HydrophobicContact CG2-CB 3.63Å; T101-L135 HydrophobicContact CG2-CD1 3.94Å; T101-L135 HydrophobicContact CG2-CG 4.43Å; K132-L135 HydrophobicContact CB-CD1 4.06Å; K132-L135 HydrophobicContact CB-CG 4.36Å; K132-L135 HydrophobicContact CD-CD1 4.18Å; K132-L135 WeakPolarHBondContact O-CB 3.43Å; K132-L135 PolarHBondContact O-N 2.83Å; C133-L135 PolarHBondContact O-N 2.73Å; L135-A137 VanDerWaalsContact C-N 3.25Å; L135-A137 PolarHBondContact O-N 3.11Å; L135-A137 VanDerWaalsContact O-N 3.1Å; L135-K138 HydrophobicContact CB-CB 4.39Å; L135-K138 WeakPolarHBondContact O-CA 3.44Å; L135-K138 PolarHBondContact O-N 3.11Å; L135-R139 PolarHBondContact O-N 2.67Å
136	T	96.9	Very high	98.5	Very high	100 Å²	100	51.8 Å²	51.8	61%	0.613	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-51.2	-40.4	-173.5	-45.8	0	0	0	0	113.8	D134 K138 R139	D134-T136 VanDerWaalsContact C-N 3.26Å; D134-T136 PolarHBondContact O-N 2.74Å; D134-T136 VanDerWaalsContact O-N 3.15Å; T136-K138 PolarHBondContact O-N 3.06Å; T136-R139 WeakPolarHBondContact O-CB 3.21Å; T136-R139 PolarHBondContact O-N 3.21Å
137	A	98.1	Very high	98.5	Very high	111 Å²	111	52.3 Å²	52.3	92%	0.917	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-69.1	-14.2	180	0	0	0	0	0	114.4	L135	L135-A137 VanDerWaalsContact C-N 3.25Å; L135-A137 PolarHBondContact O-N 3.11Å; L135-A137 VanDerWaalsContact O-N 3.1Å
138	K	98.4	Very high	98.5	Very high	142 Å²	142	58.4 Å²	58.4	62%	0.617	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-109.9	4.4	178.4	-63.6	-176.2	176.5	-176.6	0	112.6	T101 L135 T136 V140	T101-K138 WeakPolarHBondContact CA-O 3.3Å; T101-K138 WeakPolarHBondContact CB-O 3.49Å; T101-K138 HydrophobicContact CG2-CB 3.73Å; L135-K138 HydrophobicContact CB-CB 4.39Å; L135-K138 WeakPolarHBondContact O-CA 3.44Å; L135-K138 PolarHBondContact O-N 3.11Å; T136-K138 PolarHBondContact O-N 3.06Å; K138-V140 PolarHBondContact O-N 2.97Å
139	R	98.6	Very high	98.5	Very high	70 Å²	70	61 Å²	61	26%	0.264	32%	0.32	S	S	.	.			trans	-58.1	129.6	178.9	177.9	-177.8	-70.1	-84.8	4.8	109.7	I100 L135 T136 V141 E159	I100-R139 HydrophobicContact CD1-CB 4.14Å; I100-R139 HydrophobicContact CD1-CG 4.21Å; L135-R139 PolarHBondContact O-N 2.67Å; T136-R139 WeakPolarHBondContact O-CB 3.21Å; T136-R139 PolarHBondContact O-N 3.21Å; R139-V141 WeakPolarHBondContact CD-O 3.49Å; R139-V141 WeakPolarHBondContact CG-O 3.46Å; R139-V141 PolarHBondContact NH1-O 3.27Å; R139-E159 IonicContact CZ-OE1 2.65Å; R139-E159 IonicContact CZ-OE2 3.57Å; R139-E159 IonicContact NH1-OE1 3.36Å; R139-E159 PolarHBondContact NH1-OE1 3.47Å; R139-E159 IonicContact NH1-OE2 3.78Å; R139-E159 IonicContact NH2-OE1 3.85Å; R139-E159 PolarHBondContact NH2-OE1 2.7Å; R139-E159 IonicContact NH2-OE2 2.68Å; R139-E159 PolarHBondContact NH2-OE2 3.22Å
140	V	98.7	Very high	98.5	Very high	79 Å²	79	61 Å²	61	48%	0.479	32%	0.32	S	S	.	.			trans	-121.6	-24.5	170.9	-59.3	0	0	0	0	111.7	I100 T101 Q103 K138	I100-V140 PolarHBondContact O-N 2.82Å; T101-V140 VanDerWaalsContact C-CG2 3.43Å; T101-V140 WeakPolarHBondContact O-CG2 3.49Å; Q103-V140 HydrophobicContact CB-CG2 3.96Å; Q103-V140 PolarHBondContact OE1-O 2.87Å; K138-V140 PolarHBondContact O-N 2.97Å
141	V	98.7	Very high	98.5	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.006	34%	0.342	C	S	.	.	S	Bend	trans	-93.2	114.5	171.3	-172.3	0	0	0	0	108.9	Y98 I100 F106 R139 A146	Y98-V141 HydrophobicContact CD2-CG2 4.37Å; Y98-V141 HydrophobicContact CE2-CB 3.94Å; Y98-V141 HydrophobicContact CE2-CG1 3.69Å; Y98-V141 HydrophobicContact CE2-CG2 4.1Å; I100-V141 PolarHBondContact O-N 2.52Å; F106-V141 HydrophobicContact CB-CG1 4.17Å; F106-V141 HydrophobicContact CB-CG2 3.72Å; F106-V141 HydrophobicContact CD1-CG1 4.09Å; F106-V141 HydrophobicContact CD2-CG1 3.96Å; F106-V141 HydrophobicContact CE1-CG1 4.48Å; F106-V141 HydrophobicContact CE2-CG1 4.37Å; F106-V141 HydrophobicContact CG-CG1 3.79Å; F106-V141 HydrophobicContact CG-CG2 4.25Å; R139-V141 WeakPolarHBondContact CD-O 3.49Å; R139-V141 WeakPolarHBondContact CG-O 3.46Å; R139-V141 PolarHBondContact NH1-O 3.27Å; V141-A146 HydrophobicContact CG1-CB 4.24Å
142	D	98.4	Very high	98.4	Very high	77 Å²	77	72 Å²	72	41%	0.412	37%	0.374	S	S	.	.			trans	-69.6	143.7	176.6	179.1	-103.4	0	0	0	111.8	D144 T145 A146	D142-D144 WeakPolarHBondContact OD1-CB 3.5Å; D142-D144 PolarHBondContact OD1-N 3.5Å; D142-T145 PolarHBondContact O-N 2.94Å; D142-T145 PolarHBondContact OD1-N 3.2Å; D142-A146 PolarHBondContact O-N 2.76Å
143	Y	98.7	Very high	98.4	Very high	95 Å²	95	72.8 Å²	72.8	37%	0.373	38%	0.381	S	S	.	.	H	α-helix	trans	-62.6	-46.6	-177	177.1	-85.8	0	0	0	111.3	T145 A146 K147 F157 E159	Y143-T145 VanDerWaalsContact C-N 3.32Å; Y143-T145 PolarHBondContact O-N 3.48Å; Y143-A146 PolarHBondContact O-N 3.34Å; Y143-K147 HydrophobicContact CD1-CB 4.43Å; Y143-K147 HydrophobicContact CE1-CB 4.17Å; Y143-K147 HydrophobicContact CE1-CG 4.4Å; Y143-K147 VanDerWaalsContact O-CB 3.29Å; Y143-K147 WeakPolarHBondContact O-CB 3.21Å; Y143-K147 PolarHBondContact O-N 2.91Å; Y143-F157 AromaticContact CD2-CE1 3.89Å; Y143-F157 HydrophobicContact CD2-CE1 3.89Å; Y143-F157 HydrophobicContact CD2-CZ 4.32Å; Y143-F157 HydrophobicContact CE1-CE1 4.44Å; Y143-F157 HydrophobicContact CE2-CD1 4.43Å; Y143-F157 AromaticContact CE2-CE1 3.61Å; Y143-F157 HydrophobicContact CE2-CE1 3.61Å; Y143-F157 HydrophobicContact CE2-CZ 4.32Å; Y143-F157 HydrophobicContact CG-CE1 4.42Å; Y143-F157 AromaticContact CZ-CE1 3.91Å; Y143-E159 HydrophobicContact CD2-CG 3.83Å; Y143-E159 HydrophobicContact CE2-CG 4.07Å
144	D	98.6	Very high	98.3	Very high	109 Å²	109	75 Å²	75	58%	0.583	41%	0.407	S	S	*	.	H	α-helix	trans	-68.4	-37.2	-175.5	-66.2	-36	0	0	0	110.3	D142 A146 K147 E148	D142-D144 WeakPolarHBondContact OD1-CB 3.5Å; D142-D144 PolarHBondContact OD1-N 3.5Å; D144-A146 PolarHBondContact O-N 2.84Å; D144-K147 PolarHBondContact O-N 3.44Å; D144-E148 VanDerWaalsContact O-CB 3.24Å; D144-E148 WeakPolarHBondContact O-CB 3.35Å; D144-E148 PolarHBondContact O-N 3.44Å
145	T	98.5	Very high	98.3	Very high	74 Å²	74	73.7 Å²	73.7	45%	0.454	40%	0.4	S	S	.	.	H	α-helix	trans	-58.6	-46.9	173.6	-60.4	0	0	0	0	112.2	F106 D142 Y143 Y149	F106-T145 HydrophobicContact CE1-CG2 4.42Å; D142-T145 PolarHBondContact O-N 2.94Å; D142-T145 PolarHBondContact OD1-N 3.2Å; Y143-T145 VanDerWaalsContact C-N 3.32Å; Y143-T145 PolarHBondContact O-N 3.48Å; T145-Y149 PolarHBondContact O-N 2.73Å; T145-Y149 VanDerWaalsContact O-N 3.15Å
146	A	98.7	Very high	98.3	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-70.9	-37	178.9	0	0	0	0	0	112.6	Y98 F106 V141 D142 Y143 D144 Y149 A150 F157	Y98-A146 HydrophobicContact CE1-CB 4.43Å; Y98-A146 WeakPolarHBondContact OH-CB 3.3Å; F106-A146 HydrophobicContact CD2-CB 4.39Å; F106-A146 HydrophobicContact CE2-CB 3.64Å; F106-A146 HydrophobicContact CZ-CB 4.09Å; V141-A146 HydrophobicContact CG1-CB 4.24Å; D142-A146 PolarHBondContact O-N 2.76Å; Y143-A146 PolarHBondContact O-N 3.34Å; D144-A146 PolarHBondContact O-N 2.84Å; A146-Y149 PolarHBondContact O-N 3.16Å; A146-A150 PolarHBondContact O-N 2.88Å; A146-F157 HydrophobicContact CB-CE1 4.25Å; A146-F157 HydrophobicContact CB-CE2 3.88Å; A146-F157 HydrophobicContact CB-CZ 3.63Å
147	K	98.8	Very high	98.4	Very high	62 Å²	62	69.3 Å²	69.3	27%	0.27	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-47.5	175.8	176.9	60.5	-175.3	140.1	0	111.5	Y143 D144 Y149 A150 D151 F157	Y143-K147 HydrophobicContact CD1-CB 4.43Å; Y143-K147 HydrophobicContact CE1-CB 4.17Å; Y143-K147 HydrophobicContact CE1-CG 4.4Å; Y143-K147 VanDerWaalsContact O-CB 3.29Å; Y143-K147 WeakPolarHBondContact O-CB 3.21Å; Y143-K147 PolarHBondContact O-N 2.91Å; D144-K147 PolarHBondContact O-N 3.44Å; K147-Y149 VanDerWaalsContact C-N 3.31Å; K147-Y149 PolarHBondContact O-N 3.31Å; K147-A150 PolarHBondContact O-N 2.87Å; K147-D151 WeakPolarHBondContact CE-OD2 3.16Å; K147-D151 VanDerWaalsContact NZ-CG 3.27Å; K147-D151 IonicContact NZ-OD1 2.77Å; K147-D151 PolarHBondContact NZ-OD1 3.48Å; K147-D151 IonicContact NZ-OD2 2.61Å; K147-D151 PolarHBondContact NZ-OD2 3.26Å; K147-D151 PolarHBondContact O-N 3.17Å; K147-F157 HydrophobicContact CB-CD1 3.78Å; K147-F157 HydrophobicContact CB-CE1 3.93Å; K147-F157 HydrophobicContact CD-CB 4.38Å; K147-F157 HydrophobicContact CD-CD1 3.75Å; K147-F157 HydrophobicContact CG-CD1 4.36Å
148	E	98.8	Very high	98.4	Very high	127 Å²	127	64.6 Å²	64.6	59%	0.593	33%	0.334	S	S	*	.	H	α-helix	trans	-63.8	-38.9	179.5	-159	175.7	-144.2	0	0	110.9	D144 D151 Q152	D144-E148 VanDerWaalsContact O-CB 3.24Å; D144-E148 WeakPolarHBondContact O-CB 3.35Å; D144-E148 PolarHBondContact O-N 3.44Å; E148-D151 PolarHBondContact O-N 3.03Å; E148-Q152 VanDerWaalsContact O-CG 3.26Å; E148-Q152 WeakPolarHBondContact O-CG 3.44Å; E148-Q152 PolarHBondContact O-N 2.66Å
149	Y	98.7	Very high	98.5	Very high	56 Å²	56	58.6 Å²	58.6	22%	0.22	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-43.1	173.2	-177.7	-122.5	0	0	0	112.7	F106 V109 L113 L128 T145 A146 K147 D151 Q152 L153	F106-Y149 HydrophobicContact CE2-CD1 4.14Å; F106-Y149 AromaticContact CZ-CD1 3.92Å; F106-Y149 HydrophobicContact CZ-CD1 3.92Å; F106-Y149 HydrophobicContact CZ-CG 4.24Å; V109-Y149 HydrophobicContact CB-CE1 4.48Å; V109-Y149 HydrophobicContact CG1-CE1 3.94Å; L113-Y149 HydrophobicContact CD1-CE1 4.37Å; L128-Y149 HydrophobicContact CD2-CD1 4.38Å; T145-Y149 PolarHBondContact O-N 2.73Å; T145-Y149 VanDerWaalsContact O-N 3.15Å; A146-Y149 PolarHBondContact O-N 3.16Å; K147-Y149 VanDerWaalsContact C-N 3.31Å; K147-Y149 PolarHBondContact O-N 3.31Å; Y149-D151 VanDerWaalsContact C-N 3.35Å; Y149-Q152 PolarHBondContact O-N 3.27Å; Y149-L153 HydrophobicContact CD1-CD1 4.11Å; Y149-L153 HydrophobicContact CD2-CD1 4.49Å; Y149-L153 HydrophobicContact CE1-CD1 3.69Å; Y149-L153 HydrophobicContact CE2-CD1 4.09Å; Y149-L153 HydrophobicContact CE2-CG 4.31Å; Y149-L153 HydrophobicContact CG-CD1 4.49Å; Y149-L153 WeakPolarHBondContact O-CG 3.35Å; Y149-L153 PolarHBondContact O-N 3.26Å
150	A	98.8	Very high	98.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-38.6	176.2	0	0	0	0	0	112.6	L128 A146 K147 L153 G154 I155 F157	L128-A150 HydrophobicContact CB-CB 4.49Å; L128-A150 HydrophobicContact CD2-CB 4.07Å; A146-A150 PolarHBondContact O-N 2.88Å; K147-A150 PolarHBondContact O-N 2.87Å; A150-L153 CarbonylContact O-C 3.45Å; A150-L153 PolarHBondContact O-N 3.43Å; A150-G154 PolarHBondContact O-N 3.15Å; A150-I155 HydrophobicContact CB-CG1 4.11Å; A150-I155 PolarHBondContact O-N 3.35Å; A150-F157 HydrophobicContact CB-CB 3.46Å; A150-F157 VanDerWaalsContact CB-CB 3.46Å; A150-F157 HydrophobicContact CB-CG 4.22Å
151	D	98.6	Very high	98.5	Very high	88 Å²	88	51.5 Å²	51.5	47%	0.471	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-40.5	176.4	-72.4	-24.2	0	0	0	111.7	K147 E148 Y149 L153 G154	K147-D151 WeakPolarHBondContact CE-OD2 3.16Å; K147-D151 VanDerWaalsContact NZ-CG 3.27Å; K147-D151 IonicContact NZ-OD1 2.77Å; K147-D151 PolarHBondContact NZ-OD1 3.48Å; K147-D151 IonicContact NZ-OD2 2.61Å; K147-D151 PolarHBondContact NZ-OD2 3.26Å; K147-D151 PolarHBondContact O-N 3.17Å; E148-D151 PolarHBondContact O-N 3.03Å; Y149-D151 VanDerWaalsContact C-N 3.35Å; D151-L153 PolarHBondContact O-N 3.45Å; D151-G154 PolarHBondContact O-N 3.3Å
152	Q	98.3	Very high	98.4	Very high	145 Å²	145	51.6 Å²	51.6	68%	0.678	27%	0.273	S	S	*	.	H	α-helix	trans	-59.7	-34.2	172.6	-73.3	170.7	14.4	0	0	112.6	E148 Y149 G154	E148-Q152 VanDerWaalsContact O-CG 3.26Å; E148-Q152 WeakPolarHBondContact O-CG 3.44Å; E148-Q152 PolarHBondContact O-N 2.66Å; Y149-Q152 PolarHBondContact O-N 3.27Å; Q152-G154 VanDerWaalsContact C-N 3.33Å
153	L	96.9	Very high	98.4	Very high	73 Å²	73	52.5 Å²	52.5	38%	0.382	27%	0.273	S	S	.	.	H	α-helix	trans	-82.7	-10.8	176.6	-65.4	170.9	0	0	0	113.3	L113 Y149 A150 D151 I155	L113-L153 HydrophobicContact CD1-CD1 3.38Å; L113-L153 HydrophobicContact CD1-CD2 4.37Å; Y149-L153 HydrophobicContact CD1-CD1 4.11Å; Y149-L153 HydrophobicContact CD2-CD1 4.49Å; Y149-L153 HydrophobicContact CE1-CD1 3.69Å; Y149-L153 HydrophobicContact CE2-CD1 4.09Å; Y149-L153 HydrophobicContact CE2-CG 4.31Å; Y149-L153 HydrophobicContact CG-CD1 4.49Å; Y149-L153 WeakPolarHBondContact O-CG 3.35Å; Y149-L153 PolarHBondContact O-N 3.26Å; A150-L153 CarbonylContact O-C 3.45Å; A150-L153 PolarHBondContact O-N 3.43Å; D151-L153 PolarHBondContact O-N 3.45Å; L153-I155 VanDerWaalsContact C-N 3.33Å; L153-I155 HydrophobicContact CB-CD1 4.3Å; L153-I155 HydrophobicContact CB-CG1 4.05Å; L153-I155 HydrophobicContact CB-CG2 4.35Å; L153-I155 HydrophobicContact CD1-CD1 3.99Å
154	G	97	Very high	98.3	Very high	67 Å²	67	52.1 Å²	52.1	69%	0.691	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	32.6	-174.4	0	0	0	0	0	113.5	A150 D151 Q152	A150-G154 PolarHBondContact O-N 3.15Å; D151-G154 PolarHBondContact O-N 3.3Å; Q152-G154 VanDerWaalsContact C-N 3.33Å
155	I	97.9	Very high	98.3	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.097	27%	0.266	C	S	.	.			trans	-116.8	146.9	178.8	68.4	178	0	0	0	110.9	K126 L128 A150 L153	K126-I155 HydrophobicContact CB-CB 4.32Å; K126-I155 HydrophobicContact CB-CD1 4.48Å; K126-I155 HydrophobicContact CB-CG2 3.81Å; K126-I155 HydrophobicContact CD-CG2 4.25Å; L128-I155 HydrophobicContact CB-CD1 4.02Å; A150-I155 HydrophobicContact CB-CG1 4.11Å; A150-I155 PolarHBondContact O-N 3.35Å; L153-I155 VanDerWaalsContact C-N 3.33Å; L153-I155 HydrophobicContact CB-CD1 4.3Å; L153-I155 HydrophobicContact CB-CG1 4.05Å; L153-I155 HydrophobicContact CB-CG2 4.35Å; L153-I155 HydrophobicContact CD1-CD1 3.99Å
156	P	98.4	Very high	98.3	Very high	40 Å²	40	48.1 Å²	48.1	26%	0.26	26%	0.259	S	S	.	.			trans	-61.6	149.6	173.5	22.5	-31.4	0	0	0	111.7	K126 L127 L128 T174 E178	K126-P156 VanDerWaalsContact O-CD 3.28Å; K126-P156 WeakPolarHBondContact O-CD 3.11Å; K126-P156 WeakPolarHBondContact O-CG 3.34Å; L127-P156 HydrophobicContact CB-CG 4.39Å; L127-P156 HydrophobicContact CD1-CB 3.66Å; L127-P156 HydrophobicContact CD1-CG 3.77Å; L127-P156 WeakPolarHBondContact CD1-O 3.09Å; L128-P156 PolarHBondContact N-O 2.95Å; P156-T174 HydrophobicContact CB-CG2 4.32Å; P156-E178 HydrophobicContact CG-CG 4.43Å
157	F	98.8	Very high	98.3	Very high	20 Å²	20	51 Å²	51	9%	0.088	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.8	176.2	168.5	-108.3	0	0	0	110.7	Y98 L128 Y143 A146 K147 A150 E159	Y98-F157 AromaticContact CE1-CE2 3.97Å; Y98-F157 HydrophobicContact CE1-CE2 3.97Å; Y98-F157 WeakPolarHBondContact OH-CE2 3.42Å; L128-F157 HydrophobicContact CB-CB 4.48Å; L128-F157 HydrophobicContact CB-CD2 4.03Å; L128-F157 HydrophobicContact CD2-CD2 3.93Å; L128-F157 HydrophobicContact CD2-CE2 4.44Å; L128-F157 HydrophobicContact CG-CD2 3.84Å; L128-F157 HydrophobicContact CG-CE2 4.4Å; L128-F157 WeakPolarHBondContact O-CA 3.17Å; L128-F157 WeakPolarHBondContact O-CD2 3.23Å; Y143-F157 AromaticContact CD2-CE1 3.89Å; Y143-F157 HydrophobicContact CD2-CE1 3.89Å; Y143-F157 HydrophobicContact CD2-CZ 4.32Å; Y143-F157 HydrophobicContact CE1-CE1 4.44Å; Y143-F157 HydrophobicContact CE2-CD1 4.43Å; Y143-F157 AromaticContact CE2-CE1 3.61Å; Y143-F157 HydrophobicContact CE2-CE1 3.61Å; Y143-F157 HydrophobicContact CE2-CZ 4.32Å; Y143-F157 HydrophobicContact CG-CE1 4.42Å; Y143-F157 AromaticContact CZ-CE1 3.91Å; A146-F157 HydrophobicContact CB-CE1 4.25Å; A146-F157 HydrophobicContact CB-CE2 3.88Å; A146-F157 HydrophobicContact CB-CZ 3.63Å; K147-F157 HydrophobicContact CB-CD1 3.78Å; K147-F157 HydrophobicContact CB-CE1 3.93Å; K147-F157 HydrophobicContact CD-CB 4.38Å; K147-F157 HydrophobicContact CD-CD1 3.75Å; K147-F157 HydrophobicContact CG-CD1 4.36Å; A150-F157 HydrophobicContact CB-CB 3.46Å; A150-F157 VanDerWaalsContact CB-CB 3.46Å; A150-F157 HydrophobicContact CB-CG 4.22Å; F157-E159 HydrophobicContact CE1-CG 4.35Å; F157-E159 HydrophobicContact CE2-CG 4.31Å; F157-E159 HydrophobicContact CZ-CG 3.66Å
158	L	98.7	Very high	98.3	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	157.6	165.4	71.2	172.7	0	0	0	110.1	L127 L128 V129 G130 T160 N167 Q170 A171	L127-L158 HydrophobicContact CD1-CD2 3.42Å; L127-L158 VanDerWaalsContact CD1-CD2 3.42Å; L127-L158 HydrophobicContact CD2-CD2 3.88Å; L127-L158 HydrophobicContact CG-CD2 3.97Å; L128-L158 PolarHBondContact O-N 3.32Å; V129-L158 WeakPolarHBondContact CA-O 3.08Å; V129-L158 HydrophobicContact CG2-CD2 3.99Å; G130-L158 PolarHBondContact N-O 3.15Å; G130-L158 VanDerWaalsContact N-O 3.14Å; L158-T160 HydrophobicContact CG-CG2 4.4Å; L158-N167 HydrophobicContact CD1-CB 3.91Å; L158-Q170 HydrophobicContact CD1-CB 4.19Å; L158-Q170 HydrophobicContact CD1-CG 3.97Å; L158-A171 HydrophobicContact CD1-CB 4.02Å; L158-A171 HydrophobicContact CD2-CB 4.13Å; L158-A171 HydrophobicContact CG-CB 4.43Å
159	E	98.9	Very high	98.3	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.075	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	149.2	169.3	-67.5	-168.5	163.7	0	0	111.5	I100 G130 C133 R139 Y143 F157 N167	I100-E159 HydrophobicContact CG2-CG 4.44Å; G130-E159 CarbonylContact O-C 3.6Å; G130-E159 WeakPolarHBondContact O-CA 3.47Å; G130-E159 WeakPolarHBondContact O-CB 3.14Å; C133-E159 HydrophobicContact CB-CB 3.93Å; R139-E159 IonicContact CZ-OE1 2.65Å; R139-E159 IonicContact CZ-OE2 3.57Å; R139-E159 IonicContact NH1-OE1 3.36Å; R139-E159 PolarHBondContact NH1-OE1 3.47Å; R139-E159 IonicContact NH1-OE2 3.78Å; R139-E159 IonicContact NH2-OE1 3.85Å; R139-E159 PolarHBondContact NH2-OE1 2.7Å; R139-E159 IonicContact NH2-OE2 2.68Å; R139-E159 PolarHBondContact NH2-OE2 3.22Å; Y143-E159 HydrophobicContact CD2-CG 3.83Å; Y143-E159 HydrophobicContact CE2-CG 4.07Å; F157-E159 HydrophobicContact CE1-CG 4.35Å; F157-E159 HydrophobicContact CE2-CG 4.31Å; F157-E159 HydrophobicContact CZ-CG 3.66Å; E159-N167 WeakPolarHBondContact O-CB 3.47Å; E159-N167 PolarHBondContact O-ND2 3.47Å
160	T	98.9	Very high	98.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.7	-179.1	61.7	0	0	0	0	111.9	L34 V129 G130 N131 K132 C133 L158 T166 N167 A171	L34-T160 WeakPolarHBondContact CD2-OG1 3.44Å; V129-T160 HydrophobicContact CG1-CG2 3.64Å; V129-T160 WeakPolarHBondContact CG1-OG1 3.23Å; G130-T160 PolarHBondContact O-N 2.93Å; N131-T160 CarbonylContact C-O 3.58Å; N131-T160 VanDerWaalsContact CA-O 3.29Å; N131-T160 WeakPolarHBondContact CA-O 3.27Å; N131-T160 PolarHBondContact OD1-O 2.8Å; N131-T160 PolarHBondContact OD1-OG1 3.36Å; K132-T160 PolarHBondContact N-O 2.97Å; C133-T160 PolarHBondContact N-O 3.04Å; C133-T160 VanDerWaalsContact N-O 3.07Å; C133-T160 PolarHBondContact SG-O 3.14Å; C133-T160 VanDerWaalsContact SG-O 3.37Å; L158-T160 HydrophobicContact CG-CG2 4.4Å; T160-T166 CarbonylContact C-O 3.55Å; T160-T166 VanDerWaalsContact CA-O 3.23Å; T160-T166 WeakPolarHBondContact CA-O 3.26Å; T160-N167 HydrophobicContact CG2-CB 4.03Å; T160-A171 HydrophobicContact CG2-CB 4.06Å
161	S	98.7	Very high	98.3	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.			trans	-134	114	160.8	170.4	0	0	0	0	109.7	D134 K163 N164 S165 T166 V168	D134-S161 VanDerWaalsContact CG-OG 3.24Å; D134-S161 VanDerWaalsContact OD1-CB 3.25Å; D134-S161 WeakPolarHBondContact OD1-CB 3.21Å; D134-S161 PolarHBondContact OD1-OG 3.3Å; S161-K163 PolarHBondContact O-N 3.27Å; S161-K163 PolarHBondContact OG-N 2.83Å; S161-N164 WeakPolarHBondContact CB-OD1 3.2Å; S161-N164 PolarHBondContact OG-N 2.8Å; S161-N164 PolarHBondContact OG-OD1 2.68Å; S161-S165 CarbonylContact O-C 3.52Å; S161-S165 VanDerWaalsContact O-CA 3.24Å; S161-S165 WeakPolarHBondContact O-CA 3.39Å; S161-S165 PolarHBondContact O-N 2.96Å; S161-T166 PolarHBondContact N-O 3.24Å; S161-T166 PolarHBondContact O-N 2.77Å; S161-V168 WeakPolarHBondContact O-CG2 3.38Å
162	A	98.1	Very high	98.3	Very high	3 Å²	3	44 Å²	44	3%	0.025	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.1	169.7	0	0	0	0	0	112.5	C33 L34 R37 Y43 N131	C33-A162 HydrophobicContact CB-CB 3.63Å; L34-A162 HydrophobicContact CD2-CB 3.99Å; L34-A162 HydrophobicContact CG-CB 4.24Å; R37-A162 HydrophobicContact CB-CB 4.44Å; R37-A162 PolarHBondContact NE-O 3.36Å; Y43-A162 HydrophobicContact CD2-CB 4.12Å; Y43-A162 WeakPolarHBondContact CD2-O 3.47Å; Y43-A162 HydrophobicContact CE2-CB 4.38Å; N131-A162 PolarHBondContact OD1-N 3.46Å
163	K	97.4	Very high	98.3	Very high	95 Å²	95	39.6 Å²	39.6	41%	0.413	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-53.4	-176.8	-174.5	176.3	-173.1	172.6	0	111.8	R37 Y43 D134 S161	R37-K163 PolarHBondContact NH2-O 2.98Å; Y43-K163 HydrophobicContact CD1-CG 4.22Å; Y43-K163 HydrophobicContact CD2-CB 4.3Å; Y43-K163 HydrophobicContact CE1-CB 4.16Å; Y43-K163 HydrophobicContact CE1-CD 4.39Å; Y43-K163 HydrophobicContact CE1-CG 3.77Å; Y43-K163 HydrophobicContact CE2-CB 3.88Å; Y43-K163 HydrophobicContact CE2-CG 4.4Å; D134-K163 WeakPolarHBondContact OD2-CD 3.32Å; S161-K163 PolarHBondContact O-N 3.27Å; S161-K163 PolarHBondContact OG-N 2.83Å
164	N	97.3	Very high	98.3	Very high	88 Å²	88	38.2 Å²	38.2	47%	0.471	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	11.2	-176.5	72	10.8	0	0	0	113.7	S161 T166	S161-N164 WeakPolarHBondContact CB-OD1 3.2Å; S161-N164 PolarHBondContact OG-N 2.8Å; S161-N164 PolarHBondContact OG-OD1 2.68Å; N164-T166 PolarHBondContact ND2-OG1 3.19Å; N164-T166 PolarHBondContact O-N 3.36Å; N164-T166 VanDerWaalsContact OD1-CB 3.28Å; N164-T166 WeakPolarHBondContact OD1-CB 3.44Å; N164-T166 PolarHBondContact OD1-N 3.12Å; N164-T166 PolarHBondContact OD1-OG1 3.28Å
165	S	97.9	Very high	98.4	Very high	48 Å²	48	35.1 Å²	35.1	34%	0.336	19%	0.186	S	C	.	.			trans	68.4	7.4	178.6	-47	0	0	0	0	115.8	R37 S161 N167 V168	R37-S165 WeakPolarHBondContact CD-OG 3.33Å; R37-S165 PolarHBondContact NE-OG 3.28Å; S161-S165 CarbonylContact O-C 3.52Å; S161-S165 VanDerWaalsContact O-CA 3.24Å; S161-S165 WeakPolarHBondContact O-CA 3.39Å; S161-S165 PolarHBondContact O-N 2.96Å; S165-N167 PolarHBondContact O-N 3.21Å; S165-N167 VanDerWaalsContact O-N 3.12Å; S165-V168 PolarHBondContact O-N 3.26Å
166	T	98.8	Very high	98.4	Very high	51 Å²	51	34.2 Å²	34.2	31%	0.313	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	121.1	178	-60.4	0	0	0	0	110.4	T160 S161 N164 V168	T160-T166 CarbonylContact C-O 3.55Å; T160-T166 VanDerWaalsContact CA-O 3.23Å; T160-T166 WeakPolarHBondContact CA-O 3.26Å; S161-T166 PolarHBondContact N-O 3.24Å; S161-T166 PolarHBondContact O-N 2.77Å; N164-T166 PolarHBondContact ND2-OG1 3.19Å; N164-T166 PolarHBondContact O-N 3.36Å; N164-T166 VanDerWaalsContact OD1-CB 3.28Å; N164-T166 WeakPolarHBondContact OD1-CB 3.44Å; N164-T166 PolarHBondContact OD1-N 3.12Å; N164-T166 PolarHBondContact OD1-OG1 3.28Å; T166-V168 PolarHBondContact O-N 3.24Å
167	N	98.7	Very high	98.4	Very high	60 Å²	60	33.4 Å²	33.4	32%	0.321	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	11.7	176	-62.2	-17.8	0	0	0	116.3	L158 E159 T160 S165 Q170 A171	L158-N167 HydrophobicContact CD1-CB 3.91Å; E159-N167 WeakPolarHBondContact O-CB 3.47Å; E159-N167 PolarHBondContact O-ND2 3.47Å; T160-N167 HydrophobicContact CG2-CB 4.03Å; S165-N167 PolarHBondContact O-N 3.21Å; S165-N167 VanDerWaalsContact O-N 3.12Å; N167-Q170 HydrophobicContact CB-CB 4.41Å; N167-Q170 PolarHBondContact O-N 3.48Å; N167-Q170 PolarHBondContact OD1-OE1 2.98Å; N167-A171 PolarHBondContact O-N 2.93Å
168	V	98.7	Very high	98.3	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-54.8	-177.5	177.1	0	0	0	0	110.5	L34 R37 F38 S161 S165 T166 Q170 A171 F172	L34-V168 HydrophobicContact CD2-CG1 4.32Å; L34-V168 HydrophobicContact CD2-CG2 3.79Å; R37-V168 HydrophobicContact CB-CG1 4.25Å; R37-V168 HydrophobicContact CG-CB 4.28Å; R37-V168 HydrophobicContact CG-CG1 3.98Å; R37-V168 HydrophobicContact CG-CG2 4.06Å; F38-V168 HydrophobicContact CB-CG1 3.86Å; S161-V168 WeakPolarHBondContact O-CG2 3.38Å; S165-V168 PolarHBondContact O-N 3.26Å; T166-V168 PolarHBondContact O-N 3.24Å; V168-Q170 VanDerWaalsContact C-N 3.27Å; V168-Q170 PolarHBondContact O-N 3.21Å; V168-A171 PolarHBondContact O-N 3.49Å; V168-F172 HydrophobicContact CG1-CE2 4.31Å; V168-F172 VanDerWaalsContact O-CD2 3.29Å; V168-F172 WeakPolarHBondContact O-CD2 3.4Å
169	E	98.2	Very high	98.3	Very high	74 Å²	74	35.8 Å²	35.8	35%	0.346	19%	0.191	S	C	.	.	H	α-helix	trans	-57.8	-43.7	175.8	-171.5	69	-159.3	0	0	110.7	F38 R58 A171 F172 L173	F38-E169 VanDerWaalsContact CD2-OE2 3.28Å; F38-E169 WeakPolarHBondContact CD2-OE2 3.32Å; F38-E169 WeakPolarHBondContact CE2-OE2 3.2Å; R58-E169 IonicContact CZ-OE2 2.67Å; R58-E169 IonicContact NH2-OE1 2.68Å; R58-E169 IonicContact NH2-OE2 3.46Å; R58-E169 PolarHBondContact NH2-OE2 3.28Å; E169-A171 VanDerWaalsContact C-N 3.33Å; E169-A171 PolarHBondContact O-N 3.35Å; E169-F172 PolarHBondContact O-N 2.77Å; E169-L173 HydrophobicContact CG-CD1 3.82Å; E169-L173 HydrophobicContact CG-CG 4.11Å; E169-L173 WeakPolarHBondContact O-CG 3.29Å; E169-L173 PolarHBondContact O-N 2.85Å
170	Q	98.5	Very high	98.1	Very high	102 Å²	102	37 Å²	37	48%	0.477	20%	0.196	S	C	.	.	H	α-helix	trans	-58.3	-41.5	179.6	-173.6	177	-14.1	0	0	112.3	L158 N167 V168 F172 L173 T174	L158-Q170 HydrophobicContact CD1-CB 4.19Å; L158-Q170 HydrophobicContact CD1-CG 3.97Å; N167-Q170 HydrophobicContact CB-CB 4.41Å; N167-Q170 PolarHBondContact O-N 3.48Å; N167-Q170 PolarHBondContact OD1-OE1 2.98Å; V168-Q170 VanDerWaalsContact C-N 3.27Å; V168-Q170 PolarHBondContact O-N 3.21Å; Q170-F172 PolarHBondContact O-N 3.23Å; Q170-L173 PolarHBondContact O-N 2.93Å; Q170-T174 VanDerWaalsContact O-CB 3.26Å; Q170-T174 WeakPolarHBondContact O-CB 3.24Å; Q170-T174 PolarHBondContact O-N 2.91Å; Q170-T174 PolarHBondContact O-OG1 3.19Å
171	A	98.8	Very high	97.9	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-45.8	179.1	0	0	0	0	0	112.2	L127 V129 L158 T160 N167 V168 E169 M175	L127-A171 HydrophobicContact CD2-CB 4.19Å; L127-A171 VanDerWaalsContact CD2-O 3.25Å; L127-A171 WeakPolarHBondContact CD2-O 3.49Å; V129-A171 HydrophobicContact CG2-CB 4.29Å; L158-A171 HydrophobicContact CD1-CB 4.02Å; L158-A171 HydrophobicContact CD2-CB 4.13Å; L158-A171 HydrophobicContact CG-CB 4.43Å; T160-A171 HydrophobicContact CG2-CB 4.06Å; N167-A171 PolarHBondContact O-N 2.93Å; V168-A171 PolarHBondContact O-N 3.49Å; E169-A171 VanDerWaalsContact C-N 3.33Å; E169-A171 PolarHBondContact O-N 3.35Å; A171-M175 PolarHBondContact O-N 2.65Å; A171-M175 VanDerWaalsContact O-N 3.13Å
172	F	98.7	Very high	97.7	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-72.4	-37.9	179.2	-69.8	-82.4	0	0	0	112.4	L21 L23 F38 L69 I71 I95 V168 E169 Q170 M175 A176	L21-F172 HydrophobicContact CD1-CD1 4.1Å; L23-F172 HydrophobicContact CD1-CZ 4.5Å; L23-F172 HydrophobicContact CD2-CE1 4.14Å; L23-F172 HydrophobicContact CD2-CZ 4.3Å; F38-F172 HydrophobicContact CB-CD2 3.62Å; F38-F172 HydrophobicContact CB-CE2 3.39Å; F38-F172 HydrophobicContact CB-CG 4.49Å; F38-F172 HydrophobicContact CB-CZ 4.09Å; F38-F172 HydrophobicContact CD1-CB 4.35Å; F38-F172 AromaticContact CD1-CD1 3.96Å; F38-F172 HydrophobicContact CD1-CD1 3.96Å; F38-F172 AromaticContact CD1-CD2 3.73Å; F38-F172 HydrophobicContact CD1-CD2 3.73Å; F38-F172 HydrophobicContact CD1-CE1 4.17Å; F38-F172 AromaticContact CD1-CE2 3.97Å; F38-F172 HydrophobicContact CD1-CE2 3.97Å; F38-F172 AromaticContact CD1-CG 3.74Å; F38-F172 HydrophobicContact CD1-CG 3.74Å; F38-F172 HydrophobicContact CD1-CZ 4.18Å; F38-F172 HydrophobicContact CD2-CB 3.96Å; F38-F172 AromaticContact CD2-CD2 3.45Å; F38-F172 HydrophobicContact CD2-CD2 3.45Å; F38-F172 VanDerWaalsContact CD2-CD2 3.45Å; F38-F172 HydrophobicContact CD2-CE2 4.17Å; F38-F172 AromaticContact CD2-CG 3.85Å; F38-F172 HydrophobicContact CD2-CG 3.85Å; F38-F172 HydrophobicContact CE1-CB 3.99Å; F38-F172 HydrophobicContact CE1-CD1 4.01Å; F38-F172 HydrophobicContact CE1-CD2 4.24Å; F38-F172 AromaticContact CE1-CG 3.81Å; F38-F172 HydrophobicContact CE1-CG 3.81Å; F38-F172 HydrophobicContact CE2-CB 3.55Å; F38-F172 AromaticContact CE2-CD2 3.98Å; F38-F172 HydrophobicContact CE2-CD2 3.98Å; F38-F172 AromaticContact CE2-CG 3.9Å; F38-F172 HydrophobicContact CE2-CG 3.9Å; F38-F172 HydrophobicContact CG-CB 4.34Å; F38-F172 HydrophobicContact CG-CD1 4.38Å; F38-F172 AromaticContact CG-CD2 3.3Å; F38-F172 HydrophobicContact CG-CD2 3.3Å; F38-F172 AromaticContact CG-CE2 3.59Å; F38-F172 HydrophobicContact CG-CE2 3.59Å; F38-F172 AromaticContact CG-CG 3.76Å; F38-F172 HydrophobicContact CG-CG 3.76Å; F38-F172 HydrophobicContact CG-CZ 4.23Å; F38-F172 HydrophobicContact CZ-CB 3.56Å; F38-F172 HydrophobicContact CZ-CD1 4.46Å; F38-F172 HydrophobicContact CZ-CD2 4.35Å; F38-F172 AromaticContact CZ-CG 3.89Å; F38-F172 HydrophobicContact CZ-CG 3.89Å; L69-F172 HydrophobicContact CD1-CB 4.48Å; I71-F172 HydrophobicContact CD1-CD1 3.84Å; I71-F172 HydrophobicContact CD1-CE1 3.68Å; I71-F172 HydrophobicContact CG1-CE1 4.34Å; I71-F172 HydrophobicContact CG2-CE1 4.14Å; I95-F172 HydrophobicContact CD1-CD1 4.02Å; I95-F172 HydrophobicContact CD1-CE1 3.97Å; V168-F172 HydrophobicContact CG1-CE2 4.31Å; V168-F172 VanDerWaalsContact O-CD2 3.29Å; V168-F172 WeakPolarHBondContact O-CD2 3.4Å; E169-F172 PolarHBondContact O-N 2.77Å; Q170-F172 PolarHBondContact O-N 3.23Å; F172-M175 PolarHBondContact O-N 3.17Å; F172-A176 WeakPolarHBondContact O-CB 3.15Å; F172-A176 PolarHBondContact O-N 3.03Å
173	L	98.4	Very high	97.2	Very high	52 Å²	52	45.3 Å²	45.3	27%	0.272	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-41.1	175.6	-67	-174.7	0	0	0	112.4	I60 E169 Q170 A176 G177	I60-L173 HydrophobicContact CB-CD2 4.31Å; I60-L173 HydrophobicContact CD1-CD2 3.47Å; I60-L173 VanDerWaalsContact CD1-CD2 3.47Å; I60-L173 HydrophobicContact CG1-CD2 4.44Å; I60-L173 HydrophobicContact CG2-CD2 4.44Å; E169-L173 HydrophobicContact CG-CD1 3.82Å; E169-L173 HydrophobicContact CG-CG 4.11Å; E169-L173 WeakPolarHBondContact O-CG 3.29Å; E169-L173 PolarHBondContact O-N 2.85Å; Q170-L173 PolarHBondContact O-N 2.93Å; L173-A176 PolarHBondContact O-N 2.97Å; L173-G177 PolarHBondContact O-N 3.05Å
174	T	98.4	Very high	96.5	Very high	44 Å²	44	42.8 Å²	42.8	27%	0.27	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-49.3	173.5	-68	0	0	0	0	110.1	L127 P156 Q170 A176 G177 E178	L127-T174 HydrophobicContact CD1-CG2 4.46Å; P156-T174 HydrophobicContact CB-CG2 4.32Å; Q170-T174 VanDerWaalsContact O-CB 3.26Å; Q170-T174 WeakPolarHBondContact O-CB 3.24Å; Q170-T174 PolarHBondContact O-N 2.91Å; Q170-T174 PolarHBondContact O-OG1 3.19Å; T174-A176 PolarHBondContact O-N 2.81Å; T174-G177 PolarHBondContact O-N 3.02Å; T174-E178 HydrophobicContact CG2-CG 4.47Å; T174-E178 WeakPolarHBondContact O-CB 3.4Å; T174-E178 VanDerWaalsContact O-CG 3.32Å; T174-E178 WeakPolarHBondContact O-CG 3.15Å; T174-E178 PolarHBondContact O-N 2.69Å
175	M	98.6	Very high	95.4	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-44.7	176.7	-179.5	56.5	75.5	0	0	112.4	L21 I94 I95 N125 L127 A171 F172 G177 E178 I179	L21-M175 HydrophobicContact CD1-CG 4.21Å; L21-M175 HydrophobicContact CD2-CG 3.65Å; I94-M175 VanDerWaalsContact O-CE 3.31Å; I94-M175 WeakPolarHBondContact O-CE 3.33Å; I95-M175 HydrophobicContact CD1-CB 4.4Å; I95-M175 HydrophobicContact CG1-CE 3.78Å; I95-M175 HydrophobicContact CG1-CG 4.41Å; N125-M175 HydrophobicContact CB-SD 3.76Å; L127-M175 HydrophobicContact CB-CE 3.3Å; L127-M175 HydrophobicContact CD2-CB 4.38Å; L127-M175 HydrophobicContact CD2-CE 4.49Å; A171-M175 PolarHBondContact O-N 2.65Å; A171-M175 VanDerWaalsContact O-N 3.13Å; F172-M175 PolarHBondContact O-N 3.17Å; M175-G177 VanDerWaalsContact C-N 3.34Å; M175-G177 PolarHBondContact O-N 3.32Å; M175-E178 PolarHBondContact O-N 2.86Å; M175-I179 HydrophobicContact CG-CD1 3.93Å; M175-I179 WeakPolarHBondContact O-CD1 3.24Å; M175-I179 VanDerWaalsContact O-CG1 3.27Å; M175-I179 WeakPolarHBondContact O-CG1 3.28Å; M175-I179 PolarHBondContact O-N 2.92Å; M175-I179 HydrophobicContact SD-CD1 3.96Å; M175-I179 HydrophobicContact SD-CG1 4.18Å
176	A	98.4	Very high	93.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-40.4	177.8	0	0	0	0	0	112.2	F19 I60 L62 I67 L69 F172 L173 T174 I179 K180	F19-A176 HydrophobicContact CD2-CB 4.45Å; I60-A176 HydrophobicContact CD1-CB 3.75Å; L62-A176 HydrophobicContact CD2-CB 4.22Å; I67-A176 HydrophobicContact CD1-CB 4.46Å; L69-A176 HydrophobicContact CD2-CB 4.22Å; F172-A176 WeakPolarHBondContact O-CB 3.15Å; F172-A176 PolarHBondContact O-N 3.03Å; L173-A176 PolarHBondContact O-N 2.97Å; T174-A176 PolarHBondContact O-N 2.81Å; A176-I179 PolarHBondContact O-N 3.16Å; A176-K180 VanDerWaalsContact O-CB 3.27Å; A176-K180 WeakPolarHBondContact O-CB 3.25Å; A176-K180 PolarHBondContact O-N 3.25Å
177	G	97.8	Very high	91.6	Very high	23 Å²	23	50.4 Å²	50.4	24%	0.237	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-45.8	176	0	0	0	0	0	112.7	L173 T174 M175 I179 K180 S181	L173-G177 PolarHBondContact O-N 3.05Å; T174-G177 PolarHBondContact O-N 3.02Å; M175-G177 VanDerWaalsContact C-N 3.34Å; M175-G177 PolarHBondContact O-N 3.32Å; G177-I179 PolarHBondContact O-N 3.37Å; G177-K180 PolarHBondContact O-N 2.92Å; G177-S181 VanDerWaalsContact O-CB 3.32Å; G177-S181 WeakPolarHBondContact O-CB 3.47Å; G177-S181 PolarHBondContact O-N 3.33Å
178	E	97.3	Very high	89	Confident	83 Å²	83	50.6 Å²	50.6	39%	0.388	30%	0.302	S	S	.	.	H	α-helix	trans	-59.5	-45.4	176.1	-74.5	-60.9	124.6	0	0	111.9	N125 P156 T174 M175 S181 R182	N125-E178 HydrophobicContact CB-CB 4.48Å; P156-E178 HydrophobicContact CG-CG 4.43Å; T174-E178 HydrophobicContact CG2-CG 4.47Å; T174-E178 WeakPolarHBondContact O-CB 3.4Å; T174-E178 VanDerWaalsContact O-CG 3.32Å; T174-E178 WeakPolarHBondContact O-CG 3.15Å; T174-E178 PolarHBondContact O-N 2.69Å; M175-E178 PolarHBondContact O-N 2.86Å; E178-S181 PolarHBondContact O-N 2.92Å; E178-R182 WeakPolarHBondContact O-CB 3.38Å; E178-R182 PolarHBondContact O-N 2.94Å
179	I	97.8	Very high	86.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-47.4	176.4	-67.4	164.8	0	0	0	111	F19 L21 H92 N125 M175 A176 G177 S181 R182 L183	F19-I179 HydrophobicContact CB-CD1 4.36Å; F19-I179 HydrophobicContact CD1-CG2 3.62Å; F19-I179 HydrophobicContact CD2-CB 4.08Å; F19-I179 HydrophobicContact CD2-CD1 4.26Å; F19-I179 HydrophobicContact CD2-CG2 3.73Å; F19-I179 HydrophobicContact CE1-CG2 3.56Å; F19-I179 HydrophobicContact CE2-CB 3.98Å; F19-I179 HydrophobicContact CE2-CG2 3.64Å; F19-I179 HydrophobicContact CG-CD1 4.39Å; F19-I179 HydrophobicContact CG-CG2 3.74Å; F19-I179 HydrophobicContact CZ-CB 4.33Å; F19-I179 HydrophobicContact CZ-CG2 3.58Å; L21-I179 HydrophobicContact CD2-CD1 3.47Å; L21-I179 VanDerWaalsContact CD2-CD1 3.47Å; H92-I179 HydrophobicContact CB-CD1 3.9Å; H92-I179 HydrophobicContact CB-CG1 4.35Å; H92-I179 HydrophobicContact CB-CG2 4.03Å; N125-I179 HydrophobicContact CB-CG1 3.99Å; M175-I179 HydrophobicContact CG-CD1 3.93Å; M175-I179 WeakPolarHBondContact O-CD1 3.24Å; M175-I179 VanDerWaalsContact O-CG1 3.27Å; M175-I179 WeakPolarHBondContact O-CG1 3.28Å; M175-I179 PolarHBondContact O-N 2.92Å; M175-I179 HydrophobicContact SD-CD1 3.96Å; M175-I179 HydrophobicContact SD-CG1 4.18Å; A176-I179 PolarHBondContact O-N 3.16Å; G177-I179 PolarHBondContact O-N 3.37Å; I179-S181 VanDerWaalsContact C-N 3.33Å; I179-S181 PolarHBondContact O-N 3.07Å; I179-R182 PolarHBondContact O-N 3.4Å; I179-L183 HydrophobicContact CG2-CD1 3.94Å; I179-L183 HydrophobicContact CG2-CG 4.42Å; I179-L183 WeakPolarHBondContact O-CG 3.5Å; I179-L183 PolarHBondContact O-N 3.29Å
180	K	95.5	Very high	83.4	Confident	40 Å²	40	56.1 Å²	56.1	17%	0.174	35%	0.35	C	S	.	.	H	α-helix	trans	-61.2	-43.1	179.3	174.3	174.1	166.6	-79.7	0	111.1	F19 L62 D63 I67 A176 G177 L183 G184	F19-K180 HydrophobicContact CE2-CB 4.24Å; F19-K180 HydrophobicContact CZ-CB 4.18Å; L62-K180 HydrophobicContact CD2-CD 4.49Å; D63-K180 IonicContact OD2-NZ 2.66Å; D63-K180 PolarHBondContact OD2-NZ 2.93Å; I67-K180 HydrophobicContact CD1-CD 4.23Å; A176-K180 VanDerWaalsContact O-CB 3.27Å; A176-K180 WeakPolarHBondContact O-CB 3.25Å; A176-K180 PolarHBondContact O-N 3.25Å; G177-K180 PolarHBondContact O-N 2.92Å; K180-L183 PolarHBondContact O-N 3.49Å; K180-G184 PolarHBondContact O-N 3.06Å
181	S	94.7	Very high	80.6	Confident	56 Å²	56	56.9 Å²	56.9	39%	0.392	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-52.3	175.4	-177.9	0	0	0	0	110.7	G177 E178 I179 L183 G184 H185	G177-S181 VanDerWaalsContact O-CB 3.32Å; G177-S181 WeakPolarHBondContact O-CB 3.47Å; G177-S181 PolarHBondContact O-N 3.33Å; E178-S181 PolarHBondContact O-N 2.92Å; I179-S181 VanDerWaalsContact C-N 3.33Å; I179-S181 PolarHBondContact O-N 3.07Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-L183 PolarHBondContact O-N 3.24Å; S181-G184 PolarHBondContact O-N 3.29Å; S181-G184 VanDerWaalsContact O-N 3.16Å; S181-H185 PolarHBondContact O-N 3.09Å; S181-H185 VanDerWaalsContact O-N 3.07Å; S181-H185 PolarHBondContact O-ND1 3.01Å; S181-H185 PolarHBondContact OG-CE1 2.75Å
182	R	93.6	Very high	77.6	Confident	63 Å²	63	60 Å²	60	24%	0.238	41%	0.407	C	S	.	.	H	α-helix	trans	-55.3	-45.6	177.2	-177.7	-168.1	64.5	-164.4	-12.9	112.3	H92 N123 N125 E178 I179 A186	H92-R182 PolarHBondContact O-NH1 2.94Å; H92-R182 PolarHBondContact O-NH2 2.89Å; H92-R182 VanDerWaalsContact O-NH2 3.08Å; N123-R182 WeakPolarHBondContact O-CD 3.38Å; N123-R182 PolarHBondContact O-NH1 3.42Å; N125-R182 WeakPolarHBondContact OD1-CD 3.33Å; N125-R182 PolarHBondContact OD1-NE 3.33Å; N125-R182 PolarHBondContact OD1-NH1 2.68Å; N125-R182 PolarHBondContact OD1-NH2 2.62Å; E178-R182 WeakPolarHBondContact O-CB 3.38Å; E178-R182 PolarHBondContact O-N 2.94Å; I179-R182 PolarHBondContact O-N 3.4Å; R182-A186 PolarHBondContact O-N 3.26Å
183	L	88.9	Confident	74.5	Confident	60 Å²	60	64.5 Å²	64.5	31%	0.314	45%	0.445	S	S	.	.	H	α-helix	trans	-70.4	-32	-179.9	-66.9	176.7	0	0	0	113	F19 I179 K180 S181	F19-L183 HydrophobicContact CD1-CD1 4.34Å; F19-L183 HydrophobicContact CE1-CD1 3.48Å; F19-L183 VanDerWaalsContact CE1-CD1 3.48Å; F19-L183 HydrophobicContact CZ-CD1 4.07Å; I179-L183 HydrophobicContact CG2-CD1 3.94Å; I179-L183 HydrophobicContact CG2-CG 4.42Å; I179-L183 WeakPolarHBondContact O-CG 3.5Å; I179-L183 PolarHBondContact O-N 3.29Å; K180-L183 PolarHBondContact O-N 3.49Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-L183 PolarHBondContact O-N 3.24Å
184	G	81.6	Confident	71.4	Confident	41 Å²	41	71.1 Å²	71.1	42%	0.423	47%	0.474	S	S	.	.	H	α-helix	trans	-67.3	-41	174.5	0	0	0	0	0	113	K180 S181 A186 V187	K180-G184 PolarHBondContact O-N 3.06Å; S181-G184 PolarHBondContact O-N 3.29Å; S181-G184 VanDerWaalsContact O-N 3.16Å; G184-A186 VanDerWaalsContact C-N 3.35Å; G184-A186 PolarHBondContact O-N 3.49Å; G184-V187 PolarHBondContact O-N 2.92Å
185	H	73.9	Confident	68.4	Low	137 Å²	137	75 Å²	75	63%	0.634	50%	0.5	S	S	*	.	H	α-helix	trans	-68.3	-32.5	177.7	-70.2	88.4	0	0	0	112.8	S181 V187 G188 A189	S181-H185 PolarHBondContact O-N 3.09Å; S181-H185 VanDerWaalsContact O-N 3.07Å; S181-H185 PolarHBondContact O-ND1 3.01Å; S181-H185 PolarHBondContact OG-CE1 2.75Å; H185-V187 PolarHBondContact O-N 3.02Å; H185-G188 PolarHBondContact O-N 2.58Å; H185-A189 PolarHBondContact O-N 2.98Å
186	A	59.8	Low	65.1	Low	76 Å²	76	78.6 Å²	78.6	63%	0.628	54%	0.538	S	S	*	.	H	α-helix	trans	-62.1	-26	178.1	0	0	0	0	0	113.4	R182 G184	R182-A186 PolarHBondContact O-N 3.26Å; G184-A186 VanDerWaalsContact C-N 3.35Å; G184-A186 PolarHBondContact O-N 3.49Å
187	V	56.4	Low	62.3	Low	135 Å²	135	84.4 Å²	84.4	82%	0.818	57%	0.573	S	S	*	*	H	α-helix	trans	-81.1	-23	177.1	-174.8	0	0	0	0	112	G184 H185	G184-V187 PolarHBondContact O-N 2.92Å; H185-V187 PolarHBondContact O-N 3.02Å
188	G	45.3	Very low	59.2	Low	63 Å²	63	94.9 Å²	94.9	65%	0.649	61%	0.606	S	S	*	*	H	α-helix	trans	-94.9	-7.4	-175.2	0	0	0	0	0	115.8	H185 P190	H185-G188 PolarHBondContact O-N 2.58Å; G188-P190 WeakPolarHBondContact O-CD 3.5Å
189	A	40.8	Very low	56.5	Low	71 Å²	71	97.6 Å²	97.6	59%	0.587	62%	0.621	S	S	*	*	S	Bend	trans	-69.1	122.4	179.9	0	0	0	0	0	110.5	H185 A191	H185-A189 PolarHBondContact O-N 2.98Å; A189-A191 PolarHBondContact O-N 3.04Å
190	P	37.9	Very low	53.6	Low	123 Å²	123	103.3 Å²	103.3	80%	0.799	66%	0.656	S	S	*	*			trans	-59.4	134.1	176.3	22.1	-30.2	0	0	0	110.1	G188 G192	G188-P190 WeakPolarHBondContact O-CD 3.5Å; P190-G192 PolarHBondContact O-N 3.3Å
191	A	40.5	Very low	50.9	Low	117 Å²	117	106.1 Å²	106.1	97%	0.967	68%	0.681	S	S	*	*	S	Bend	trans	-57.8	92.7	-176.8	0	0	0	0	0	111.6	A189	A189-A191 PolarHBondContact O-N 3.04Å
192	G	34.5	Very low	48.1	Very low	71 Å²	71	108.6 Å²	108.6	73%	0.732	69%	0.694	S	S	*	*			trans	-154.4	30.2	-175	0	0	0	0	0	113.7	P190	P190-G192 PolarHBondContact O-N 3.3Å
193	A	35	Very low	45.4	Very low	98 Å²	98	111.1 Å²	111.1	81%	0.81	72%	0.718	S	S	*	*			trans	-165.5	110.5	164.6	0	0	0	0	0	110.1
194	Q	32.1	Very low	43	Very low	190 Å²	190	113.5 Å²	113.5	89%	0.888	74%	0.735	S	S	*	*			trans	-76.5	141	157.6	-69.7	-171.9	-17.4	0	0	107.5
195	P	35.6	Very low	41	Very low	125 Å²	125	119.7 Å²	119.7	81%	0.812	75%	0.753	S	S	*	*				-141.4	130.2	68	31.9	-11.1	0	0	0	115.6
196	G	30.1	Very low	39.4	Very low	78 Å²	78	118.9 Å²	118.9	80%	0.804	76%	0.76	S	S	*	*			trans	45.5	72.8	138.2	0	0	0	0	0	120.6
197	V	38.6	Very low	38.3	Very low	122 Å²	122	124.7 Å²	124.7	74%	0.739	77%	0.774	S	S	*	*			trans	-136.6	107.8	145.9	-176.3	0	0	0	0	108.4	I199	V197-I199 HydrophobicContact CG1-CD1 4.38Å; V197-I199 HydrophobicContact CG1-CG1 3.79Å; V197-I199 PolarHBondContact O-N 3.21Å; V197-I199 VanDerWaalsContact O-N 3.08Å
198	R	32.4	Very low	37.5	Very low	244 Å²	244	128 Å²	128	92%	0.921	78%	0.777	S	S	*	*			trans	-73.7	92.4	172.6	-73.9	179.3	176.5	172.1	-1.1	108.5
199	I	41.8	Very low	37.3	Very low	140 Å²	140	130.6 Å²	130.6	72%	0.718	79%	0.786	S	S	*	*			trans	-90.6	102.2	166.3	-56.3	-177	0	0	0	106.9	V197 S201	V197-I199 HydrophobicContact CG1-CD1 4.38Å; V197-I199 HydrophobicContact CG1-CG1 3.79Å; V197-I199 PolarHBondContact O-N 3.21Å; V197-I199 VanDerWaalsContact O-N 3.08Å; I199-S201 VanDerWaalsContact C-N 3.26Å; I199-S201 PolarHBondContact O-N 3.24Å
200	T	37.2	Very low	37	Very low	120 Å²	120	130.8 Å²	130.8	74%	0.736	79%	0.794	S	S	*	*			trans	-75.8	81.1	172.6	-45.6	0	0	0	0	108.6	T202	T200-T202 HydrophobicContact CG2-CG2 3.93Å; T200-T202 PolarHBondContact O-N 3.25Å
201	S	37.4	Very low	36.5	Very low	99 Å²	99	131.1 Å²	131.1	69%	0.692	80%	0.798	S	S	*	*			trans	-77.2	95.1	157.1	45.4	0	0	0	0	106.9	I199 P203	I199-S201 VanDerWaalsContact C-N 3.26Å; I199-S201 PolarHBondContact O-N 3.24Å; S201-P203 WeakPolarHBondContact O-CD 3.39Å
202	T	36.5	Very low	36.5	Very low	108 Å²	108	135.2 Å²	135.2	66%	0.663	82%	0.817	S	S	*	*			trans	-75.5	115.5	167.4	36.5	0	0	0	0	108.4	T200 V204	T200-T202 HydrophobicContact CG2-CG2 3.93Å; T200-T202 PolarHBondContact O-N 3.25Å; T202-V204 PolarHBondContact O-N 3.32Å
203	P	38.1	Very low	36.6	Very low	115 Å²	115	138.4 Å²	138.4	75%	0.747	82%	0.822	S	S	*	*			trans	-64	122.6	164.3	11.3	-4.1	0	0	0	108.1	S201 Q205	S201-P203 WeakPolarHBondContact O-CD 3.39Å; P203-Q205 PolarHBondContact O-N 3.23Å; P203-Q205 VanDerWaalsContact O-N 3.16Å
204	V	37.7	Very low	36.7	Very low	111 Å²	111	140.5 Å²	140.5	67%	0.673	82%	0.822	S	S	*	*			trans	-70.1	112.2	176	-177.5	0	0	0	0	107.7	F14 T202	F14-V204 HydrophobicContact CE1-CG1 3.95Å; T202-V204 PolarHBondContact O-N 3.32Å
205	Q	39.3	Very low	36.9	Very low	171 Å²	171	137.8 Å²	137.8	80%	0.799	82%	0.819	S	S	*	*			trans	-68.3	138	174.1	-77.6	178.2	-7.7	0	0	110	P203 Q207	P203-Q205 PolarHBondContact O-N 3.23Å; P203-Q205 VanDerWaalsContact O-N 3.16Å; Q205-Q207 PolarHBondContact O-N 2.86Å; Q205-Q207 VanDerWaalsContact O-N 3.08Å
206	P	40.3	Very low	37	Very low	119 Å²	119	138.5 Å²	138.5	77%	0.773	82%	0.819	S	S	*	*			trans	-65.1	111.9	-179.5	24.2	-31.8	0	0	0	110.3	K208	P206-K208 PolarHBondContact O-N 3.15Å
207	Q	37.9	Very low	37.4	Very low	198 Å²	198	142.3 Å²	142.3	93%	0.925	82%	0.82	S	S	*	*			trans	-66.2	104.8	171.7	-123.7	176.8	-37.3	0	0	108.2	Q205 S209	Q205-Q207 PolarHBondContact O-N 2.86Å; Q205-Q207 VanDerWaalsContact O-N 3.08Å; Q207-S209 PolarHBondContact O-N 3.45Å
208	K	38.4	Very low	37.4	Very low	204 Å²	204	143.7 Å²	143.7	89%	0.887	83%	0.825	S	S	*	*			trans	-65.1	101.8	168.6	-73.2	-178	176.5	179.5	0	108.1	P206 G210	P206-K208 PolarHBondContact O-N 3.15Å; K208-G210 PolarHBondContact O-N 3.1Å; K208-G210 VanDerWaalsContact O-N 3.15Å
209	S	40.9	Very low	37.7	Very low	119 Å²	119	136.5 Å²	136.5	83%	0.832	82%	0.818	S	S	*	*			trans	-63.7	113.4	167.6	52.4	0	0	0	0	108.5	Q207	Q207-S209 PolarHBondContact O-N 3.45Å
210	G	34.8	Very low	37.4	Very low	74 Å²	74	136.2 Å²	136.2	76%	0.763	83%	0.826	S	S	*	*			trans	-64.9	148.3	179.7	0	0	0	0	0	112.5	K208	K208-G210 PolarHBondContact O-N 3.1Å; K208-G210 VanDerWaalsContact O-N 3.15Å
211	C	28.4	Very low	37.4	Very low	130 Å²	130	137.6 Å²	137.6	88%	0.878	83%	0.834	S	S	*	*			trans	-74.2	125.2	175	-167.3	0	0	0	0	109.9
212	C	39.5	Very low	37.4	Very low	203 Å²	203	141.1 Å²	141.1	100%	1.372	85%	0.846	S	S	*	*			trans	-153.4	0	148.6	-83.2	0	0	0	0	107.5

Retrieved 212 of 212 residues in 481.6 ms (Link to these results)

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