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Peroxiredoxin 2

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively. Plays a role in cell protection against oxidative stress by detoxifying peroxides and as sensor of hydrogen peroxide-mediated signaling events. Might participate in the signaling cascades of growth factors and tumor necrosis factor-alpha by regulating the intracellular concentrations of H(2)O(2) (By similarity). Reduces an intramolecular disulfide bond in GDPD5 that gates the ability to GDPD5 to drive postmitotic motor neuron differentiation (By similarity).

AlphaFold DB , UniProt , Accession Q9V3P0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Prx2, Length 194 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	88.4	Confident	97.2	Very high	121 Å²	121	79.1 Å²	79.1	60%	0.596	43%	0.426	S	S	*	.				0	137	0	-68.7	-56.2	-79.8	0	0	110.2	V113 F126 I137 V139	M1-V113 HydrophobicContact SD-CG1 4.37Å; M1-F126 HydrophobicContact CE-CE1 4.22Å; M1-F126 HydrophobicContact CE-CZ 4.32Å; M1-I137 HydrophobicContact CE-CD1 4.3Å; M1-I137 HydrophobicContact CE-CG2 3.27Å; M1-V139 HydrophobicContact CE-CG2 3.52Å; M1-V139 HydrophobicContact SD-CG2 4.5Å
2	P	96.1	Very high	97.3	Very high	18 Å²	18	78.6 Å²	78.6	12%	0.117	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-69.2	158	175	29.8	-36.5	0	0	0	111.5	P9 Y111 F126 L134 I137	P2-P9 HydrophobicContact CB-CG 3.72Å; P2-P9 HydrophobicContact CG-CG 4.49Å; P2-Y111 VanDerWaalsContact CD-C 3.49Å; P2-Y111 WeakPolarHBondContact CD-O 3.5Å; P2-Y111 HydrophobicContact CG-CD1 4.28Å; P2-F126 HydrophobicContact CG-CD1 4.21Å; P2-F126 HydrophobicContact CG-CE1 3.69Å; P2-L134 HydrophobicContact CB-CD2 3.79Å; P2-L134 HydrophobicContact CG-CD2 3.57Å; P2-I137 HydrophobicContact CG-CD1 4.39Å; P2-I137 WeakPolarHBondContact O-CD1 3.2Å
3	Q	97.6	Very high	97.4	Very high	136 Å²	136	74.2 Å²	74.2	64%	0.636	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-89.3	135.5	-174.9	-65.7	-176.8	-11.8	0	0	111.9	K6	Q3-K6 HydrophobicContact CB-CB 4.1Å; Q3-K6 HydrophobicContact CB-CG 3.69Å
4	L	98.2	Very high	97.5	Very high	91 Å²	91	71.7 Å²	71.7	48%	0.476	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	151	168.9	-64.9	176.9	0	0	0	110.9	K6 L134 I137	L4-K6 PolarHBondContact O-N 3.13Å; L4-K6 VanDerWaalsContact O-N 3.12Å; L4-L134 HydrophobicContact CD2-CD2 4.48Å; L4-L134 HydrophobicContact CD2-CG 4.2Å; L4-I137 HydrophobicContact CD2-CD1 4.1Å; L4-I137 HydrophobicContact CD2-CG1 3.93Å; L4-I137 HydrophobicContact CG-CD1 4.45Å
5	Q	97.2	Very high	97.6	Very high	167 Å²	167	66.9 Å²	66.9	78%	0.78	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	12.2	-179	-49.5	177.5	31	0	0	114.6	L134	Q5-L134 PolarHBondContact N-O 2.94Å
6	K	98.4	Very high	97.6	Very high	113 Å²	113	62.8 Å²	62.8	49%	0.491	36%	0.359	S	S	.	.	S	Bend	trans	-112.1	160	172	-59.8	-58	-179	-175.8	0	109.7	Q3 L4 A8 N133 L134	Q3-K6 HydrophobicContact CB-CB 4.1Å; Q3-K6 HydrophobicContact CB-CG 3.69Å; L4-K6 PolarHBondContact O-N 3.13Å; L4-K6 VanDerWaalsContact O-N 3.12Å; K6-A8 PolarHBondContact O-N 3.08Å; K6-N133 CarbonylContact O-C 3.58Å; K6-N133 VanDerWaalsContact O-CA 3.31Å; K6-N133 WeakPolarHBondContact O-CA 3.15Å; K6-L134 PolarHBondContact O-N 2.86Å
7	P	98.6	Very high	97.7	Very high	99 Å²	99	60.6 Å²	60.6	64%	0.643	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-50.7	132	170.1	-27.5	35.9	0	0	0	110.6	Q132	P7-Q132 WeakPolarHBondContact CA-O 3.39Å
8	A	98.8	Very high	97.6	Very high	8 Å²	8	64.5 Å²	64.5	7%	0.066	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-63.4	146.3	174.9	0	0	0	0	0	110	K6 A10 L26 I128 Q132 L134	K6-A8 PolarHBondContact O-N 3.08Å; A8-A10 PolarHBondContact O-N 2.94Å; A8-L26 HydrophobicContact CB-CD2 4.08Å; A8-I128 HydrophobicContact CB-CD1 3.74Å; A8-I128 HydrophobicContact CB-CG1 3.9Å; A8-I128 HydrophobicContact CB-CG2 4.05Å; A8-Q132 PolarHBondContact N-O 3.31Å; A8-L134 HydrophobicContact CB-CB 4.37Å
9	P	98.7	Very high	97.4	Very high	30 Å²	30	63.1 Å²	63.1	20%	0.195	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-54.5	129.3	177.3	-23.4	32	0	0	0	111.4	P2 F11 D110 Y111	P2-P9 HydrophobicContact CB-CG 3.72Å; P2-P9 HydrophobicContact CG-CG 4.49Å; P9-F11 PolarHBondContact O-N 3.41Å; P9-D110 HydrophobicContact CB-CB 3.95Å; P9-Y111 HydrophobicContact CB-CD2 4.15Å; P9-Y111 HydrophobicContact CB-CE2 3.87Å; P9-Y111 HydrophobicContact CG-CD2 4.27Å; P9-Y111 HydrophobicContact CG-CE2 4.21Å; P9-Y111 WeakPolarHBondContact O-CE2 3.43Å; P9-Y111 PolarHBondContact O-OH 2.85Å; P9-Y111 VanDerWaalsContact O-OH 3.14Å
10	A	98.6	Very high	97.4	Very high	77 Å²	77	64.5 Å²	64.5	64%	0.636	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-66.2	132.8	179.7	0	0	0	0	0	110.7	A8	A8-A10 PolarHBondContact O-N 2.94Å
11	F	98.7	Very high	97.5	Very high	10 Å²	10	65.7 Å²	65.7	4%	0.044	38%	0.378	C	S	.	.			trans	-125.4	152.9	171.2	68.3	-101.2	0	0	0	111	P9 K25 L26 L34 L36 I69 L100 V107 Y111	P9-F11 PolarHBondContact O-N 3.41Å; F11-K25 CarbonylContact O-C 3.58Å; F11-K25 WeakPolarHBondContact O-CA 3.48Å; F11-K25 WeakPolarHBondContact O-CB 3.48Å; F11-L26 HydrophobicContact CD1-CB 3.79Å; F11-L26 HydrophobicContact CD1-CD1 4.45Å; F11-L26 HydrophobicContact CD1-CG 4.47Å; F11-L26 HydrophobicContact CE1-CB 3.67Å; F11-L26 HydrophobicContact CE1-CD1 3.72Å; F11-L26 HydrophobicContact CE1-CG 4.16Å; F11-L26 HydrophobicContact CE2-CB 4.43Å; F11-L26 HydrophobicContact CG-CB 4.24Å; F11-L26 HydrophobicContact CZ-CB 3.99Å; F11-L26 HydrophobicContact CZ-CD1 4.25Å; F11-L26 PolarHBondContact O-N 3.47Å; F11-L34 HydrophobicContact CE1-CD2 4.27Å; F11-L34 HydrophobicContact CZ-CD2 4.09Å; F11-L36 HydrophobicContact CD1-CD2 4.1Å; F11-L36 HydrophobicContact CE1-CD2 3.87Å; F11-I69 HydrophobicContact CE2-CD1 4.32Å; F11-I69 HydrophobicContact CZ-CD1 3.91Å; F11-L100 HydrophobicContact CD2-CD2 3.76Å; F11-L100 HydrophobicContact CE2-CD2 4.04Å; F11-L100 HydrophobicContact CG-CD2 4.44Å; F11-V107 HydrophobicContact CB-CB 4.43Å; F11-V107 HydrophobicContact CB-CG1 3.65Å; F11-V107 HydrophobicContact CB-CG2 3.88Å; F11-V107 HydrophobicContact CG-CG1 4.24Å; F11-Y111 HydrophobicContact CD1-CE2 4.12Å
12	A	98.5	Very high	98	Very high	73 Å²	73	65.7 Å²	65.7	60%	0.603	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.7	144.1	168.6	0	0	0	0	0	108.2	I24 K25	A12-I24 CarbonylContact C-O 3.48Å; A12-I24 VanDerWaalsContact CA-O 3.31Å; A12-I24 WeakPolarHBondContact CA-O 3.5Å; A12-K25 HydrophobicContact CB-CB 3.76Å
13	G	98.4	Very high	98.1	Very high	21 Å²	21	70.2 Å²	70.2	22%	0.216	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	172.5	177.4	0	0	0	0	0	112.4	D23 I24	G13-D23 WeakPolarHBondContact O-CA 3.43Å; G13-I24 PolarHBondContact N-O 2.87Å; G13-I24 PolarHBondContact O-N 3.12Å
14	T	98.8	Very high	98.1	Very high	40 Å²	40	64.1 Å²	64.1	25%	0.245	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.2	177.3	-53.4	0	0	0	0	109.8	F21 D23 Q76 A101	T14-F21 HydrophobicContact CG2-CB 3.99Å; T14-D23 WeakPolarHBondContact CA-OD1 3.46Å; T14-D23 WeakPolarHBondContact CB-OD1 3.25Å; T14-D23 PolarHBondContact OG1-OD1 2.87Å; T14-Q76 HydrophobicContact CG2-CB 4.18Å; T14-Q76 HydrophobicContact CG2-CG 4.01Å; T14-A101 WeakPolarHBondContact O-CB 3.46Å; T14-A101 PolarHBondContact O-N 2.81Å
15	A	98.8	Very high	98.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	157.6	174	0	0	0	0	0	111.2	V17 F21 K22 I24 P98 L99 L100	A15-V17 HydrophobicContact CB-CG2 4.16Å; A15-F21 WeakPolarHBondContact O-CA 3.41Å; A15-K22 PolarHBondContact N-O 3.32Å; A15-K22 PolarHBondContact O-N 3.35Å; A15-I24 HydrophobicContact CB-CD1 3.55Å; A15-I24 HydrophobicContact CB-CG1 3.82Å; A15-I24 HydrophobicContact CB-CG2 4.48Å; A15-P98 HydrophobicContact CB-CB 4.28Å; A15-L99 CarbonylContact C-O 3.54Å; A15-L99 WeakPolarHBondContact CA-O 3.5Å; A15-L99 WeakPolarHBondContact CB-O 3.35Å; A15-L100 HydrophobicContact CB-CB 4.43Å; A15-L100 HydrophobicContact CB-CD1 4.37Å
16	V	98.7	Very high	98.3	Very high	1 Å²	1	57 Å²	57	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.2	163.8	-171.2	0	0	0	0	108.2	V20 F21 Q76 H79 L80 I83 P98 L99	V16-V20 WeakPolarHBondContact CA-O 3.16Å; V16-F21 HydrophobicContact CG2-CD1 4.04Å; V16-F21 HydrophobicContact CG2-CE1 3.99Å; V16-Q76 HydrophobicContact CG2-CB 4.27Å; V16-Q76 WeakPolarHBondContact CG2-O 3.24Å; V16-H79 HydrophobicContact CB-CB 4.48Å; V16-H79 HydrophobicContact CG2-CB 3.63Å; V16-L80 HydrophobicContact CG1-CD1 4.12Å; V16-L80 HydrophobicContact CG2-CB 4.26Å; V16-I83 HydrophobicContact CB-CD1 3.96Å; V16-I83 HydrophobicContact CG1-CD1 3.58Å; V16-P98 WeakPolarHBondContact O-CA 3.43Å; V16-L99 PolarHBondContact N-O 3.12Å; V16-L99 PolarHBondContact O-N 3.28Å; V16-L99 VanDerWaalsContact O-N 3.12Å
17	V	98.2	Very high	98.3	Very high	25 Å²	25	54.5 Å²	54.5	15%	0.152	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.3	179.6	-176.1	0	0	0	0	107.8	A15 G19 V20 K22 I24 P98	A15-V17 HydrophobicContact CB-CG2 4.16Å; V17-G19 PolarHBondContact O-N 3.3Å; V17-V20 PolarHBondContact N-O 3.14Å; V17-V20 WeakPolarHBondContact O-CG2 3.45Å; V17-V20 PolarHBondContact O-N 2.88Å; V17-K22 HydrophobicContact CB-CB 4.34Å; V17-K22 HydrophobicContact CG2-CB 4.12Å; V17-K22 HydrophobicContact CG2-CD 4.45Å; V17-I24 HydrophobicContact CG2-CG2 4.45Å; V17-P98 HydrophobicContact CG2-CB 3.89Å; V17-P98 HydrophobicContact CG2-CG 4.07Å
18	N	95.5	Very high	98.3	Very high	131 Å²	131	53.9 Å²	53.9	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	40.5	-177.6	-59.1	-24.5	0	0	0	113.1	V20	N18-V20 VanDerWaalsContact C-N 3.29Å; N18-V20 PolarHBondContact O-N 3.13Å
19	G	95.3	Very high	98.2	Very high	38 Å²	38	54.8 Å²	54.8	39%	0.392	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	3.3	178.7	0	0	0	0	0	115.9	V17	V17-G19 PolarHBondContact O-N 3.3Å
20	V	97.4	Very high	98.2	Very high	91 Å²	91	60.6 Å²	60.6	55%	0.552	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	153	176.3	-60.7	0	0	0	0	112	V16 V17 N18	V16-V20 WeakPolarHBondContact CA-O 3.16Å; V17-V20 PolarHBondContact N-O 3.14Å; V17-V20 WeakPolarHBondContact O-CG2 3.45Å; V17-V20 PolarHBondContact O-N 2.88Å; N18-V20 VanDerWaalsContact C-N 3.29Å; N18-V20 PolarHBondContact O-N 3.13Å
21	F	98.5	Very high	98.2	Very high	90 Å²	90	58.8 Å²	58.8	40%	0.395	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127	172.6	-57.2	-31.3	0	0	0	110.1	T14 A15 V16 Q76 F77 L80	T14-F21 HydrophobicContact CG2-CB 3.99Å; A15-F21 WeakPolarHBondContact O-CA 3.41Å; V16-F21 HydrophobicContact CG2-CD1 4.04Å; V16-F21 HydrophobicContact CG2-CE1 3.99Å; F21-Q76 HydrophobicContact CD1-CB 3.96Å; F21-Q76 HydrophobicContact CD1-CG 3.84Å; F21-Q76 HydrophobicContact CD2-CG 4.36Å; F21-Q76 HydrophobicContact CE1-CB 3.9Å; F21-Q76 HydrophobicContact CE1-CG 3.74Å; F21-Q76 WeakPolarHBondContact CE1-O 3.43Å; F21-Q76 HydrophobicContact CE2-CG 4.27Å; F21-Q76 HydrophobicContact CG-CG 4.17Å; F21-Q76 HydrophobicContact CZ-CG 3.98Å; F21-F77 AromaticContact CE2-CD1 3.89Å; F21-F77 HydrophobicContact CE2-CD1 3.89Å; F21-F77 AromaticContact CE2-CE1 3.63Å; F21-F77 HydrophobicContact CE2-CE1 3.63Å; F21-F77 HydrophobicContact CE2-CZ 4.44Å; F21-F77 AromaticContact CZ-CD1 3.69Å; F21-F77 HydrophobicContact CZ-CD1 3.69Å; F21-F77 AromaticContact CZ-CE1 3.95Å; F21-F77 HydrophobicContact CZ-CE1 3.95Å; F21-F77 HydrophobicContact CZ-CG 4.44Å; F21-L80 HydrophobicContact CE1-CB 4Å; F21-L80 HydrophobicContact CE1-CD2 3.84Å; F21-L80 HydrophobicContact CZ-CB 4.41Å; F21-L80 HydrophobicContact CZ-CD2 3.76Å
22	K	98.6	Very high	98.2	Very high	120 Å²	120	61.9 Å²	61.9	52%	0.522	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	132.7	178.7	-176.3	178.7	178.6	-177	0	109.7	A15 V17 I24	A15-K22 PolarHBondContact N-O 3.32Å; A15-K22 PolarHBondContact O-N 3.35Å; V17-K22 HydrophobicContact CB-CB 4.34Å; V17-K22 HydrophobicContact CG2-CB 4.12Å; V17-K22 HydrophobicContact CG2-CD 4.45Å; K22-I24 HydrophobicContact CG-CG2 4.45Å
23	D	98.6	Very high	98.3	Very high	114 Å²	114	58.7 Å²	58.7	61%	0.61	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.6	170.3	-67.4	-23	0	0	0	110	G13 T14	G13-D23 WeakPolarHBondContact O-CA 3.43Å; T14-D23 WeakPolarHBondContact CA-OD1 3.46Å; T14-D23 WeakPolarHBondContact CB-OD1 3.25Å; T14-D23 PolarHBondContact OG1-OD1 2.87Å
24	I	98.7	Very high	98.3	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.2	176	64	171.8	0	0	0	109.3	A12 G13 A15 V17 K22 I69 P98 L100	A12-I24 CarbonylContact C-O 3.48Å; A12-I24 VanDerWaalsContact CA-O 3.31Å; A12-I24 WeakPolarHBondContact CA-O 3.5Å; G13-I24 PolarHBondContact N-O 2.87Å; G13-I24 PolarHBondContact O-N 3.12Å; A15-I24 HydrophobicContact CB-CD1 3.55Å; A15-I24 HydrophobicContact CB-CG1 3.82Å; A15-I24 HydrophobicContact CB-CG2 4.48Å; V17-I24 HydrophobicContact CG2-CG2 4.45Å; K22-I24 HydrophobicContact CG-CG2 4.45Å; I24-I69 HydrophobicContact CD1-CD1 4.18Å; I24-I69 HydrophobicContact CD1-CG2 4.38Å; I24-P98 HydrophobicContact CD1-CB 4.1Å; I24-L100 HydrophobicContact CD1-CB 4.42Å; I24-L100 HydrophobicContact CD1-CD1 4.22Å; I24-L100 HydrophobicContact CG1-CD1 3.99Å
25	K	98.8	Very high	98.3	Very high	100 Å²	100	55.9 Å²	55.9	44%	0.435	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.9	174.9	53.4	-179.7	177.9	-178	0	110.6	F11 A12 S27 D28 Y29	F11-K25 CarbonylContact O-C 3.58Å; F11-K25 WeakPolarHBondContact O-CA 3.48Å; F11-K25 WeakPolarHBondContact O-CB 3.48Å; A12-K25 HydrophobicContact CB-CB 3.76Å; K25-S27 WeakPolarHBondContact CD-OG 3.36Å; K25-S27 WeakPolarHBondContact CE-OG 3.41Å; K25-S27 WeakPolarHBondContact CG-OG 3.33Å; K25-S27 PolarHBondContact O-N 3.43Å; K25-S27 VanDerWaalsContact O-N 3.1Å; K25-D28 WeakPolarHBondContact CE-OD1 3.27Å; K25-D28 WeakPolarHBondContact CG-OD1 3.26Å; K25-D28 VanDerWaalsContact CG-OD2 3.25Å; K25-D28 WeakPolarHBondContact CG-OD2 3.44Å; K25-D28 PolarHBondContact N-OD2 3.03Å; K25-D28 VanDerWaalsContact O-CB 3.31Å; K25-D28 WeakPolarHBondContact O-CB 3.31Å; K25-D28 PolarHBondContact O-N 2.5Å; K25-Y29 WeakPolarHBondContact O-CD2 3.18Å
26	L	98.8	Very high	98.3	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.052	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-52.1	-38.4	-179.3	177.1	58.2	0	0	0	112.4	A8 F11 D28 Y29 L34 I128 Q132	A8-L26 HydrophobicContact CB-CD2 4.08Å; F11-L26 HydrophobicContact CD1-CB 3.79Å; F11-L26 HydrophobicContact CD1-CD1 4.45Å; F11-L26 HydrophobicContact CD1-CG 4.47Å; F11-L26 HydrophobicContact CE1-CB 3.67Å; F11-L26 HydrophobicContact CE1-CD1 3.72Å; F11-L26 HydrophobicContact CE1-CG 4.16Å; F11-L26 HydrophobicContact CE2-CB 4.43Å; F11-L26 HydrophobicContact CG-CB 4.24Å; F11-L26 HydrophobicContact CZ-CB 3.99Å; F11-L26 HydrophobicContact CZ-CD1 4.25Å; F11-L26 PolarHBondContact O-N 3.47Å; L26-D28 PolarHBondContact O-N 2.82Å; L26-Y29 PolarHBondContact O-N 2.78Å; L26-Y29 VanDerWaalsContact O-N 3.17Å; L26-L34 HydrophobicContact CD1-CD2 3.72Å; L26-I128 HydrophobicContact CD1-CD1 3.98Å; L26-I128 HydrophobicContact CD1-CG2 4.45Å; L26-Q132 PolarHBondContact O-NE2 3.34Å
27	S	98.5	Very high	98.3	Very high	60 Å²	60	55.9 Å²	55.9	42%	0.42	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-63.5	-20.4	179.1	62.9	0	0	0	0	114.9	K25 Y29 K30 Q132	K25-S27 WeakPolarHBondContact CD-OG 3.36Å; K25-S27 WeakPolarHBondContact CE-OG 3.41Å; K25-S27 WeakPolarHBondContact CG-OG 3.33Å; K25-S27 PolarHBondContact O-N 3.43Å; K25-S27 VanDerWaalsContact O-N 3.1Å; S27-Y29 PolarHBondContact O-N 2.97Å; S27-K30 PolarHBondContact O-N 3.23Å; S27-Q132 VanDerWaalsContact CA-NE2 3.35Å
28	D	98.6	Very high	98.3	Very high	86 Å²	86	54.7 Å²	54.7	46%	0.46	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-69	-17.3	177.7	-58.2	-23.2	0	0	0	112	K25 L26	K25-D28 WeakPolarHBondContact CE-OD1 3.27Å; K25-D28 WeakPolarHBondContact CG-OD1 3.26Å; K25-D28 VanDerWaalsContact CG-OD2 3.25Å; K25-D28 WeakPolarHBondContact CG-OD2 3.44Å; K25-D28 PolarHBondContact N-OD2 3.03Å; K25-D28 VanDerWaalsContact O-CB 3.31Å; K25-D28 WeakPolarHBondContact O-CB 3.31Å; K25-D28 PolarHBondContact O-N 2.5Å; L26-D28 PolarHBondContact O-N 2.82Å
29	Y	98.6	Very high	98.5	Very high	27 Å²	27	48.4 Å²	48.4	11%	0.106	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-101.7	7.1	-178.2	-60.4	-90.1	0	0	0	113.1	K25 L26 S27 G31 K32 L34 E67 I69	K25-Y29 WeakPolarHBondContact O-CD2 3.18Å; L26-Y29 PolarHBondContact O-N 2.78Å; L26-Y29 VanDerWaalsContact O-N 3.17Å; S27-Y29 PolarHBondContact O-N 2.97Å; Y29-G31 PolarHBondContact O-N 3.37Å; Y29-K32 WeakPolarHBondContact O-CB 3.42Å; Y29-K32 PolarHBondContact O-N 3.33Å; Y29-L34 HydrophobicContact CD1-CD1 4.07Å; Y29-L34 HydrophobicContact CD2-CD2 4.23Å; Y29-L34 HydrophobicContact CE1-CD1 4.33Å; Y29-L34 HydrophobicContact CG-CD1 4.32Å; Y29-L34 HydrophobicContact CG-CD2 4.11Å; Y29-E67 HydrophobicContact CD1-CB 3.75Å; Y29-E67 HydrophobicContact CD1-CG 3.87Å; Y29-E67 HydrophobicContact CE1-CB 3.77Å; Y29-E67 HydrophobicContact CE1-CG 3.99Å; Y29-I69 HydrophobicContact CD2-CD1 4.19Å; Y29-I69 HydrophobicContact CE1-CD1 4.04Å; Y29-I69 HydrophobicContact CE1-CG1 4.38Å; Y29-I69 HydrophobicContact CE2-CD1 3.51Å; Y29-I69 VanDerWaalsContact CZ-CD1 3.42Å; Y29-I69 WeakPolarHBondContact OH-CD1 3.38Å
30	K	98.4	Very high	98.6	Very high	152 Å²	152	47 Å²	47	66%	0.661	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	136.7	176.9	-173.4	175.3	-178.7	177.4	0	110.9	S27 K32 Q132	S27-K30 PolarHBondContact O-N 3.23Å; K30-K32 VanDerWaalsContact C-N 3.29Å; K30-Q132 HydrophobicContact CB-CG 4.41Å; K30-Q132 HydrophobicContact CG-CG 4.39Å
31	G	98.6	Very high	98.5	Very high	39 Å²	39	45.7 Å²	45.7	40%	0.402	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	1.1	-174.4	0	0	0	0	0	114.4	Y29 N65 D130	Y29-G31 PolarHBondContact O-N 3.37Å; G31-N65 PolarHBondContact O-ND2 3.15Å; G31-D130 PolarHBondContact N-O 2.99Å
32	K	98.8	Very high	98.5	Very high	74 Å²	74	41.9 Å²	41.9	32%	0.322	21%	0.214	S	C	.	.	S	Bend	trans	-123.9	151.1	171.9	-55.9	-169.7	173.2	178.3	0	110	Y29 K30 N65 E67 D130	Y29-K32 WeakPolarHBondContact O-CB 3.42Å; Y29-K32 PolarHBondContact O-N 3.33Å; K30-K32 VanDerWaalsContact C-N 3.29Å; K32-N65 WeakPolarHBondContact CG-OD1 3.35Å; K32-E67 HydrophobicContact CD-CG 3.71Å; K32-E67 IonicContact NZ-OE1 3.61Å; K32-E67 PolarHBondContact NZ-OE1 2.78Å; K32-D130 WeakPolarHBondContact O-CA 3.32Å
33	Y	98.9	Very high	98.3	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	149.7	160.8	-93.2	-109.9	0	0	0	109.4	N65 C66 E67 I127 I128 D129 D130 R135 V155 F158 Q159 D162	Y33-N65 PolarHBondContact N-O 3.48Å; Y33-C66 CarbonylContact O-C 3.57Å; Y33-C66 VanDerWaalsContact O-CA 3.28Å; Y33-C66 WeakPolarHBondContact O-CA 3.18Å; Y33-E67 PolarHBondContact O-N 3.45Å; Y33-I127 HydrophobicContact CD1-CG2 3.9Å; Y33-I127 HydrophobicContact CE1-CG2 4.15Å; Y33-I128 CarbonylContact C-O 3.55Å; Y33-I128 WeakPolarHBondContact CA-O 3.43Å; Y33-D129 HydrophobicContact CE1-CB 4.01Å; Y33-D129 HydrophobicContact CE2-CB 3.92Å; Y33-D130 HydrophobicContact CD2-CB 4.44Å; Y33-R135 PolarHBondContact OH-NH1 3.42Å; Y33-V155 HydrophobicContact CD1-CG1 4.07Å; Y33-V155 HydrophobicContact CG-CG1 4.35Å; Y33-F158 HydrophobicContact CE1-CB 3.85Å; Y33-F158 WeakPolarHBondContact OH-CB 3.48Å; Y33-Q159 HydrophobicContact CD2-CG 3.93Å; Y33-Q159 HydrophobicContact CE1-CG 4.38Å; Y33-Q159 HydrophobicContact CE2-CG 3.71Å; Y33-Q159 HydrophobicContact CG-CG 4.36Å; Y33-D162 PolarHBondContact OH-OD2 3.08Å
34	L	98.9	Very high	97.9	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126.1	177.7	172.6	64	0	0	0	110.3	F11 L26 Y29 E67 I69 I128	F11-L34 HydrophobicContact CE1-CD2 4.27Å; F11-L34 HydrophobicContact CZ-CD2 4.09Å; L26-L34 HydrophobicContact CD1-CD2 3.72Å; Y29-L34 HydrophobicContact CD1-CD1 4.07Å; Y29-L34 HydrophobicContact CD2-CD2 4.23Å; Y29-L34 HydrophobicContact CE1-CD1 4.33Å; Y29-L34 HydrophobicContact CG-CD1 4.32Å; Y29-L34 HydrophobicContact CG-CD2 4.11Å; L34-E67 WeakPolarHBondContact CA-O 3.38Å; L34-E67 HydrophobicContact CD1-CB 4.28Å; L34-I69 HydrophobicContact CD1-CB 4.45Å; L34-I69 HydrophobicContact CD1-CD1 3.56Å; L34-I69 HydrophobicContact CD1-CG1 3.75Å; L34-I69 HydrophobicContact CD2-CD1 4.07Å; L34-I69 HydrophobicContact CG-CD1 4.43Å; L34-I128 HydrophobicContact CB-CB 4.29Å; L34-I128 HydrophobicContact CD2-CD1 4.18Å; L34-I128 PolarHBondContact N-O 2.99Å; L34-I128 PolarHBondContact O-N 3.48Å
35	V	98.9	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112	163.3	177.2	0	0	0	0	108	F54 F61 E67 V68 I69 L125 F126 I127 T151 V155	V35-F54 HydrophobicContact CG1-CE1 4.43Å; V35-F61 HydrophobicContact CG2-CD1 4.35Å; V35-F61 HydrophobicContact CG2-CE1 4.12Å; V35-E67 PolarHBondContact N-O 2.93Å; V35-V68 HydrophobicContact CB-CB 4.49Å; V35-V68 HydrophobicContact CB-CG1 4.23Å; V35-V68 HydrophobicContact CB-CG2 4.2Å; V35-V68 HydrophobicContact CG1-CG1 4.23Å; V35-V68 CarbonylContact O-C 3.4Å; V35-V68 WeakPolarHBondContact O-CA 3.34Å; V35-I69 PolarHBondContact O-N 3.09Å; V35-L125 HydrophobicContact CG1-CD1 4.04Å; V35-L125 HydrophobicContact CG1-CD2 4.33Å; V35-L125 HydrophobicContact CG1-CG 4.05Å; V35-F126 WeakPolarHBondContact CA-O 3.33Å; V35-I127 HydrophobicContact CG2-CG1 4.5Å; V35-T151 HydrophobicContact CG1-CG2 3.86Å; V35-T151 HydrophobicContact CG2-CG2 3.78Å; V35-V155 HydrophobicContact CG2-CG2 3.89Å
36	L	98.9	Very high	96.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.7	169.1	172.9	64.5	0	0	0	108.2	F11 F38 I69 C71 Y111 L125 F126	F11-L36 HydrophobicContact CD1-CD2 4.1Å; F11-L36 HydrophobicContact CE1-CD2 3.87Å; L36-F38 HydrophobicContact CD2-CE2 3.85Å; L36-F38 HydrophobicContact CD2-CZ 4.05Å; L36-F38 HydrophobicContact CG-CE2 3.95Å; L36-F38 HydrophobicContact CG-CZ 4.43Å; L36-I69 HydrophobicContact CD1-CB 4.1Å; L36-I69 HydrophobicContact CD1-CG2 3.95Å; L36-C71 HydrophobicContact CD1-CB 4.06Å; L36-Y111 HydrophobicContact CD2-CD1 4.22Å; L36-Y111 HydrophobicContact CD2-CD2 4.38Å; L36-Y111 HydrophobicContact CD2-CE1 3.68Å; L36-Y111 HydrophobicContact CD2-CE2 3.87Å; L36-Y111 VanDerWaalsContact CD2-CZ 3.46Å; L36-L125 WeakPolarHBondContact O-CA 3.4Å; L36-F126 PolarHBondContact N-O 3.34Å; L36-F126 PolarHBondContact O-N 2.98Å
37	F	98.9	Very high	95.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.9	176.7	77.8	-87.6	0	0	0	111.6	Y39 I51 F54 V68 I69 G70 C71 I97 G124 L125	F37-Y39 HydrophobicContact CE2-CD1 4.07Å; F37-I51 HydrophobicContact CE2-CG1 3.94Å; F37-I51 HydrophobicContact CZ-CG1 4.08Å; F37-F54 HydrophobicContact CD1-CD2 4.08Å; F37-F54 HydrophobicContact CD1-CE2 4.31Å; F37-F54 HydrophobicContact CD1-CG 4.43Å; F37-F54 HydrophobicContact CE1-CB 4.14Å; F37-F54 AromaticContact CE1-CD2 3.86Å; F37-F54 HydrophobicContact CE1-CD2 3.86Å; F37-F54 HydrophobicContact CE1-CG 4.05Å; F37-F54 HydrophobicContact CE2-CD2 4.31Å; F37-F54 HydrophobicContact CG-CD2 4.41Å; F37-F54 HydrophobicContact CG-CE2 4.33Å; F37-F54 HydrophobicContact CZ-CB 4.4Å; F37-F54 AromaticContact CZ-CD2 3.98Å; F37-F54 HydrophobicContact CZ-CD2 3.98Å; F37-F54 HydrophobicContact CZ-CG 4.46Å; F37-V68 HydrophobicContact CD1-CG1 3.91Å; F37-V68 HydrophobicContact CE1-CG1 3.78Å; F37-I69 WeakPolarHBondContact CD1-O 3.48Å; F37-I69 PolarHBondContact N-O 3.48Å; F37-G70 VanDerWaalsContact CE1-CA 3.49Å; F37-G70 CarbonylContact O-C 3.07Å; F37-G70 WeakPolarHBondContact O-CA 3.41Å; F37-C71 PolarHBondContact O-N 2.91Å; F37-I97 HydrophobicContact CE1-CD1 3.87Å; F37-I97 HydrophobicContact CZ-CD1 3.95Å; F37-G124 CarbonylContact C-O 3.53Å; F37-G124 WeakPolarHBondContact CA-O 3.41Å; F37-L125 HydrophobicContact CB-CB 4.16Å; F37-L125 HydrophobicContact CB-CD1 4.1Å; F37-L125 HydrophobicContact CB-CG 4.09Å
38	F	98.8	Very high	95.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	145.5	174.4	-63.6	-99.5	0	0	0	110.3	L36 C71 V107 A108 Y111 V113 P121 G124 F126 R146	L36-F38 HydrophobicContact CD2-CE2 3.85Å; L36-F38 HydrophobicContact CD2-CZ 4.05Å; L36-F38 HydrophobicContact CG-CE2 3.95Å; L36-F38 HydrophobicContact CG-CZ 4.43Å; F38-C71 CarbonylContact C-O 3.58Å; F38-C71 WeakPolarHBondContact CA-O 3.19Å; F38-C71 HydrophobicContact CD1-CB 3.88Å; F38-C71 HydrophobicContact CE1-CB 4.04Å; F38-C71 VanDerWaalsContact CE1-SG 3.56Å; F38-C71 HydrophobicContact CG-CB 4.39Å; F38-V107 HydrophobicContact CE1-CB 4.47Å; F38-V107 HydrophobicContact CE1-CG1 4.08Å; F38-V107 HydrophobicContact CZ-CG1 3.87Å; F38-A108 HydrophobicContact CD1-CB 4.16Å; F38-A108 HydrophobicContact CE1-CB 3.95Å; F38-Y111 HydrophobicContact CE2-CD1 4.19Å; F38-Y111 HydrophobicContact CE2-CD2 4.44Å; F38-Y111 AromaticContact CE2-CG 3.9Å; F38-Y111 HydrophobicContact CE2-CG 3.9Å; F38-Y111 HydrophobicContact CZ-CD2 4.05Å; F38-Y111 AromaticContact CZ-CG 3.9Å; F38-Y111 HydrophobicContact CZ-CG 3.9Å; F38-V113 HydrophobicContact CB-CG2 4.25Å; F38-V113 HydrophobicContact CD1-CG2 4.05Å; F38-V113 HydrophobicContact CD2-CG2 3.81Å; F38-V113 HydrophobicContact CE1-CG2 4.31Å; F38-V113 HydrophobicContact CE2-CG2 4.09Å; F38-V113 HydrophobicContact CG-CG2 3.77Å; F38-V113 HydrophobicContact CZ-CG2 4.3Å; F38-P121 HydrophobicContact CB-CB 3.93Å; F38-P121 HydrophobicContact CB-CG 4.17Å; F38-P121 HydrophobicContact CD1-CB 4.19Å; F38-P121 HydrophobicContact CD1-CG 4.44Å; F38-P121 HydrophobicContact CG-CB 4.39Å; F38-G124 PolarHBondContact N-O 2.74Å; F38-F126 HydrophobicContact CD2-CD2 4.04Å; F38-F126 AromaticContact CD2-CE2 3.69Å; F38-F126 HydrophobicContact CD2-CE2 3.69Å; F38-F126 AromaticContact CE2-CD2 3.82Å; F38-F126 HydrophobicContact CE2-CD2 3.82Å; F38-F126 AromaticContact CE2-CE2 3.58Å; F38-F126 HydrophobicContact CE2-CE2 3.58Å; F38-R146 VanDerWaalsContact O-CZ 3.25Å; F38-R146 PolarHBondContact O-NH1 2.6Å; F38-R146 PolarHBondContact O-NH2 3.26Å
39	Y	98.5	Very high	95.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.			trans	-134.5	149.7	170	64.4	-89.9	0	0	0	109.6	F37 D42 C47 I51 C71 S72 H79 W82 L99 P121	F37-Y39 HydrophobicContact CE2-CD1 4.07Å; Y39-D42 WeakPolarHBondContact CE2-OD1 3.35Å; Y39-D42 PolarHBondContact OH-OD1 2.82Å; Y39-C47 HydrophobicContact CD2-CB 3.91Å; Y39-C47 HydrophobicContact CG-CB 4.44Å; Y39-I51 HydrophobicContact CD1-CD1 3.79Å; Y39-I51 HydrophobicContact CD1-CG1 4.05Å; Y39-I51 HydrophobicContact CD2-CD1 3.96Å; Y39-I51 HydrophobicContact CE1-CD1 3.61Å; Y39-I51 HydrophobicContact CE1-CG1 4.15Å; Y39-I51 HydrophobicContact CE2-CD1 3.8Å; Y39-I51 HydrophobicContact CG-CD1 3.95Å; Y39-I51 HydrophobicContact CG-CG1 4.41Å; Y39-C71 WeakPolarHBondContact CD1-O 3.41Å; Y39-C71 PolarHBondContact N-O 3.35Å; Y39-S72 VanDerWaalsContact CE2-CB 3.5Å; Y39-S72 WeakPolarHBondContact O-CB 3.29Å; Y39-H79 PolarHBondContact OH-CE1 3.43Å; Y39-H79 PolarHBondContact OH-ND1 3.12Å; Y39-W82 AromaticContact CE2-CZ3 3.81Å; Y39-W82 HydrophobicContact CE2-CZ3 3.81Å; Y39-L99 HydrophobicContact CE1-CD2 4.48Å; Y39-P121 VanDerWaalsContact O-CG 3.29Å; Y39-P121 WeakPolarHBondContact O-CG 3.39Å
40	P	97.2	Very high	94.9	Very high	9 Å²	9	40.5 Å²	40.5	6%	0.058	21%	0.207	C	C	.	.	S	Bend	trans	-58.1	-58.1	-169.9	-29.4	33	0	0	0	115.4	C47 I120 P121 R123 L142	P40-C47 VanDerWaalsContact CD-SG 3.59Å; P40-I120 HydrophobicContact CB-CD1 4.09Å; P40-P121 WeakPolarHBondContact CA-O 3.32Å; P40-P121 WeakPolarHBondContact CG-O 3.1Å; P40-R123 HydrophobicContact CG-CG 4.39Å; P40-L142 HydrophobicContact CB-CD2 4.3Å; P40-L142 HydrophobicContact CG-CD2 3.59Å
41	L	97.1	Very high	94.9	Very high	63 Å²	63	33.3 Å²	33.3	33%	0.33	18%	0.176	S	C	.	.			trans	-154.4	143.3	-168.9	-75	172.6	0	0	0	111.5	T44 C47 D74 I120	L41-T44 HydrophobicContact CB-CG2 3.62Å; L41-T44 HydrophobicContact CD1-CG2 4.37Å; L41-T44 PolarHBondContact O-OG1 3.14Å; L41-C47 PolarHBondContact O-SG 3.31Å; L41-D74 WeakPolarHBondContact CA-OD2 3.44Å; L41-I120 HydrophobicContact CD1-CG2 4.06Å; L41-I120 HydrophobicContact CD2-CG2 3.65Å; L41-I120 HydrophobicContact CG-CG2 3.68Å
42	D	97.2	Very high	94.8	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.053	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	155.3	163.9	-72.6	1.8	0	0	0	111.4	Y39 T44 D74 T78 H79 W82	Y39-D42 WeakPolarHBondContact CE2-OD1 3.35Å; Y39-D42 PolarHBondContact OH-OD1 2.82Å; D42-T44 VanDerWaalsContact C-N 3.26Å; D42-T44 PolarHBondContact O-N 2.86Å; D42-D74 HydrophobicContact CB-CB 4.43Å; D42-D74 PolarHBondContact N-OD2 2.86Å; D42-T78 HydrophobicContact CB-CG2 3.75Å; D42-T78 VanDerWaalsContact OD2-C 3.31Å; D42-T78 WeakPolarHBondContact OD2-CG2 3Å; D42-H79 IonicContact OD1-CE1 2.74Å; D42-H79 IonicContact OD1-ND1 3.22Å; D42-H79 PolarHBondContact OD1-ND1 2.96Å; D42-H79 WeakPolarHBondContact OD2-CA 3.4Å; D42-H79 IonicContact OD2-CE1 3.72Å; D42-H79 IonicContact OD2-CG 2.82Å; D42-H79 PolarHBondContact OD2-N 3.27Å; D42-H79 VanDerWaalsContact OD2-N 3.17Å; D42-H79 IonicContact OD2-ND1 3.26Å; D42-H79 PolarHBondContact OD2-ND1 3.02Å; D42-W82 HydrophobicContact CB-CD2 4.02Å; D42-W82 HydrophobicContact CB-CE3 3.6Å; D42-W82 HydrophobicContact CB-CZ3 4Å; D42-W82 VanDerWaalsContact OD1-CZ3 3.3Å; D42-W82 WeakPolarHBondContact OD1-CZ3 3.31Å
43	F	95.2	Very high	94.8	Very high	110 Å²	110	30.7 Å²	30.7	48%	0.482	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	29.6	178.3	-59.6	-86.3	0	0	0	115.4	T78 A81 W82	F43-T78 HydrophobicContact CD2-CG2 4.11Å; F43-T78 HydrophobicContact CE2-CG2 3.82Å; F43-A81 HydrophobicContact CZ-CB 4.3Å; F43-W82 AromaticContact CD1-CD1 3.42Å; F43-W82 VanDerWaalsContact CD1-CD1 3.42Å; F43-W82 HydrophobicContact CD1-CG 4.18Å; F43-W82 AromaticContact CD1-NE1 3.83Å; F43-W82 HydrophobicContact CD2-CB 4.32Å; F43-W82 HydrophobicContact CD2-CG 4.16Å; F43-W82 HydrophobicContact CE1-CB 4.15Å; F43-W82 AromaticContact CE1-CD1 3.36Å; F43-W82 AromaticContact CE1-CG 4Å; F43-W82 HydrophobicContact CE1-CG 4Å; F43-W82 HydrophobicContact CE2-CB 3.67Å; F43-W82 AromaticContact CE2-CG 3.96Å; F43-W82 HydrophobicContact CE2-CG 3.96Å; F43-W82 AromaticContact CG-CD1 3.85Å; F43-W82 HydrophobicContact CG-CG 4.26Å; F43-W82 HydrophobicContact CZ-CB 3.58Å; F43-W82 AromaticContact CZ-CD1 3.73Å; F43-W82 AromaticContact CZ-CG 3.89Å; F43-W82 HydrophobicContact CZ-CG 3.89Å; F43-W82 VanDerWaalsContact N-CZ2 3.31Å
44	T	90.1	Very high	94.7	Very high	43 Å²	43	30.4 Å²	30.4	26%	0.264	16%	0.159	S	C	.	.	S	Bend	trans	-110.6	-170.4	174.3	62.1	0	0	0	0	112.3	L41 D42 C47 P48	L41-T44 HydrophobicContact CB-CG2 3.62Å; L41-T44 HydrophobicContact CD1-CG2 4.37Å; L41-T44 PolarHBondContact O-OG1 3.14Å; D42-T44 VanDerWaalsContact C-N 3.26Å; D42-T44 PolarHBondContact O-N 2.86Å; T44-C47 PolarHBondContact OG1-SG 3.37Å; T44-P48 WeakPolarHBondContact O-CD 3.4Å; T44-P48 WeakPolarHBondContact O-CG 3.36Å
45	F	84.6	Confident	94.7	Very high	195 Å²	195	30.6 Å²	30.6	86%	0.855	16%	0.161	S	C	*	.	S	Bend	trans	-88.2	-55.8	-164.2	-48.1	-68.3	0	0	0	114.9	P48	F45-P48 WeakPolarHBondContact O-CD 3.29Å; F45-P48 WeakPolarHBondContact O-CG 3.42Å
46	V	81.3	Confident	94.7	Very high	40 Å²	40	36.6 Å²	36.6	24%	0.242	19%	0.189	C	C	.	.	S	Bend	trans	-84.1	-32	-175.9	176	0	0	0	0	111.6	T49 E50	V46-T49 PolarHBondContact O-N 3.01Å; V46-T49 PolarHBondContact O-OG1 2.89Å; V46-E50 HydrophobicContact CG1-CG 4.38Å; V46-E50 PolarHBondContact O-N 2.97Å
47	C	83.6	Confident	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-53.9	-47.2	-178.9	-55.3	0	0	0	0	114.5	Y39 P40 L41 T44 T49 E50 I51 W82 R123	Y39-C47 HydrophobicContact CD2-CB 3.91Å; Y39-C47 HydrophobicContact CG-CB 4.44Å; P40-C47 VanDerWaalsContact CD-SG 3.59Å; L41-C47 PolarHBondContact O-SG 3.31Å; T44-C47 PolarHBondContact OG1-SG 3.37Å; C47-T49 VanDerWaalsContact C-N 3.26Å; C47-T49 PolarHBondContact O-N 3.15Å; C47-E50 PolarHBondContact O-N 2.94Å; C47-I51 WeakPolarHBondContact O-CD1 3.44Å; C47-I51 VanDerWaalsContact O-CG1 3.28Å; C47-I51 WeakPolarHBondContact O-CG1 3.39Å; C47-I51 PolarHBondContact O-N 2.87Å; C47-I51 VanDerWaalsContact O-N 3.11Å; C47-W82 HydrophobicContact CB-CH2 3.84Å; C47-R123 PolarHBondContact SG-NH1 3Å
48	P	90.6	Very high	94.6	Very high	11 Å²	11	38.6 Å²	38.6	7%	0.071	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-33.2	-179.1	23.3	-31.8	0	0	0	112.2	T44 F45 I52 W82 L92	T44-P48 WeakPolarHBondContact O-CD 3.4Å; T44-P48 WeakPolarHBondContact O-CG 3.36Å; F45-P48 WeakPolarHBondContact O-CD 3.29Å; F45-P48 WeakPolarHBondContact O-CG 3.42Å; P48-I52 HydrophobicContact CB-CD1 4.41Å; P48-I52 WeakPolarHBondContact O-CB 3.28Å; P48-I52 VanDerWaalsContact O-CD1 3.29Å; P48-I52 WeakPolarHBondContact O-CD1 3.47Å; P48-I52 WeakPolarHBondContact O-CG1 3.45Å; P48-I52 PolarHBondContact O-N 2.84Å; P48-W82 HydrophobicContact CB-CH2 4.14Å; P48-W82 HydrophobicContact CB-CZ2 3.64Å; P48-W82 HydrophobicContact CG-CH2 4.5Å; P48-W82 HydrophobicContact CG-CZ2 3.93Å; P48-L92 HydrophobicContact CB-CD2 3.83Å
49	T	93.7	Very high	94.6	Very high	88 Å²	88	40.8 Å²	40.8	54%	0.54	22%	0.222	S	C	.	.	H	α-helix	trans	-67.5	-40.8	-179	71.7	0	0	0	0	111.4	V46 C47 A53	V46-T49 PolarHBondContact O-N 3.01Å; V46-T49 PolarHBondContact O-OG1 2.89Å; C47-T49 VanDerWaalsContact C-N 3.26Å; C47-T49 PolarHBondContact O-N 3.15Å; T49-A53 VanDerWaalsContact O-CB 3.28Å; T49-A53 WeakPolarHBondContact O-CB 3.34Å; T49-A53 PolarHBondContact O-N 3.47Å
50	E	95.1	Very high	94.6	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-48.5	176.1	-63	-172.9	114.6	0	0	111.8	V46 C47 I52 A53 F54 R123 G145 R146	V46-E50 HydrophobicContact CG1-CG 4.38Å; V46-E50 PolarHBondContact O-N 2.97Å; C47-E50 PolarHBondContact O-N 2.94Å; E50-I52 VanDerWaalsContact C-N 3.35Å; E50-I52 PolarHBondContact O-N 3.38Å; E50-A53 PolarHBondContact O-N 3.48Å; E50-F54 VanDerWaalsContact O-CD2 3.32Å; E50-F54 WeakPolarHBondContact O-CD2 3.17Å; E50-F54 PolarHBondContact O-N 3.32Å; E50-R123 IonicContact OE2-CZ 3.71Å; E50-R123 IonicContact OE2-NE 3.79Å; E50-R123 IonicContact OE2-NH1 2.77Å; E50-R123 PolarHBondContact OE2-NH1 3.37Å; E50-G145 WeakPolarHBondContact OE1-CA 3.11Å; E50-R146 VanDerWaalsContact CD-NH2 3.33Å; E50-R146 WeakPolarHBondContact OE1-CB 3.49Å; E50-R146 IonicContact OE1-CZ 2.7Å; E50-R146 PolarHBondContact OE1-N 3.4Å; E50-R146 IonicContact OE1-NE 3.41Å; E50-R146 PolarHBondContact OE1-NE 2.9Å; E50-R146 IonicContact OE1-NH2 3.46Å; E50-R146 PolarHBondContact OE1-NH2 3.4Å; E50-R146 IonicContact OE2-CZ 3.6Å; E50-R146 IonicContact OE2-NE 2.75Å; E50-R146 IonicContact OE2-NH2 2.75Å; E50-R146 PolarHBondContact OE2-NH2 3.02Å
51	I	97.2	Very high	94.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.4	-44.5	-178.1	-63.3	163.5	0	0	0	110.4	F37 Y39 C47 F54 S55 W82 L92 M95 I97 L99	F37-I51 HydrophobicContact CE2-CG1 3.94Å; F37-I51 HydrophobicContact CZ-CG1 4.08Å; Y39-I51 HydrophobicContact CD1-CD1 3.79Å; Y39-I51 HydrophobicContact CD1-CG1 4.05Å; Y39-I51 HydrophobicContact CD2-CD1 3.96Å; Y39-I51 HydrophobicContact CE1-CD1 3.61Å; Y39-I51 HydrophobicContact CE1-CG1 4.15Å; Y39-I51 HydrophobicContact CE2-CD1 3.8Å; Y39-I51 HydrophobicContact CG-CD1 3.95Å; Y39-I51 HydrophobicContact CG-CG1 4.41Å; C47-I51 WeakPolarHBondContact O-CD1 3.44Å; C47-I51 VanDerWaalsContact O-CG1 3.28Å; C47-I51 WeakPolarHBondContact O-CG1 3.39Å; C47-I51 PolarHBondContact O-N 2.87Å; C47-I51 VanDerWaalsContact O-N 3.11Å; I51-F54 PolarHBondContact O-N 2.87Å; I51-S55 WeakPolarHBondContact O-CB 3.44Å; I51-S55 PolarHBondContact O-N 3.5Å; I51-W82 HydrophobicContact CD1-CE3 4.48Å; I51-W82 HydrophobicContact CD1-CH2 3.81Å; I51-W82 HydrophobicContact CD1-CZ3 3.45Å; I51-W82 VanDerWaalsContact CD1-CZ3 3.45Å; I51-L92 HydrophobicContact CB-CD2 4.06Å; I51-L92 HydrophobicContact CD1-CD1 4.45Å; I51-L92 HydrophobicContact CD1-CD2 4.2Å; I51-L92 HydrophobicContact CG2-CD1 4.01Å; I51-L92 HydrophobicContact CG2-CD2 4Å; I51-M95 HydrophobicContact CG2-SD 3.66Å; I51-I97 HydrophobicContact CG2-CD1 4.32Å; I51-L99 HydrophobicContact CG2-CD2 3.95Å
52	I	97.5	Very high	94.7	Very high	26 Å²	26	45.8 Å²	45.8	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-47	176.5	-71.8	164.9	0	0	0	110.6	P48 E50 F54 S55 E56 R87 L92 M95	P48-I52 HydrophobicContact CB-CD1 4.41Å; P48-I52 WeakPolarHBondContact O-CB 3.28Å; P48-I52 VanDerWaalsContact O-CD1 3.29Å; P48-I52 WeakPolarHBondContact O-CD1 3.47Å; P48-I52 WeakPolarHBondContact O-CG1 3.45Å; P48-I52 PolarHBondContact O-N 2.84Å; E50-I52 VanDerWaalsContact C-N 3.35Å; E50-I52 PolarHBondContact O-N 3.38Å; I52-F54 PolarHBondContact O-N 3.07Å; I52-S55 WeakPolarHBondContact O-CB 3.35Å; I52-S55 PolarHBondContact O-N 3.36Å; I52-S55 VanDerWaalsContact O-N 3.16Å; I52-E56 HydrophobicContact CG2-CG 4.3Å; I52-E56 WeakPolarHBondContact O-CG 3.33Å; I52-E56 PolarHBondContact O-N 2.95Å; I52-R87 HydrophobicContact CD1-CG 3.96Å; I52-R87 VanDerWaalsContact CG2-CZ 3.49Å; I52-L92 HydrophobicContact CG1-CD2 4.34Å; I52-M95 HydrophobicContact CG1-CE 4.31Å
53	A	97.9	Very high	94.8	Very high	32 Å²	32	52.4 Å²	52.4	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-41	-178.2	0	0	0	0	0	112.5	T49 E50 S57 V148	T49-A53 VanDerWaalsContact O-CB 3.28Å; T49-A53 WeakPolarHBondContact O-CB 3.34Å; T49-A53 PolarHBondContact O-N 3.47Å; E50-A53 PolarHBondContact O-N 3.48Å; A53-S57 WeakPolarHBondContact O-CB 3.21Å; A53-S57 PolarHBondContact O-N 2.86Å; A53-S57 VanDerWaalsContact O-N 3.12Å; A53-S57 PolarHBondContact O-OG 3.01Å; A53-V148 HydrophobicContact CB-CG2 3.67Å
54	F	98.5	Very high	95	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-41.5	172.8	-83.6	-66.2	0	0	0	112.2	V35 F37 E50 I51 I52 E56 S57 A58 F61 V68 I97 L125 V148 T151	V35-F54 HydrophobicContact CG1-CE1 4.43Å; F37-F54 HydrophobicContact CD1-CD2 4.08Å; F37-F54 HydrophobicContact CD1-CE2 4.31Å; F37-F54 HydrophobicContact CD1-CG 4.43Å; F37-F54 HydrophobicContact CE1-CB 4.14Å; F37-F54 AromaticContact CE1-CD2 3.86Å; F37-F54 HydrophobicContact CE1-CD2 3.86Å; F37-F54 HydrophobicContact CE1-CG 4.05Å; F37-F54 HydrophobicContact CE2-CD2 4.31Å; F37-F54 HydrophobicContact CG-CD2 4.41Å; F37-F54 HydrophobicContact CG-CE2 4.33Å; F37-F54 HydrophobicContact CZ-CB 4.4Å; F37-F54 AromaticContact CZ-CD2 3.98Å; F37-F54 HydrophobicContact CZ-CD2 3.98Å; F37-F54 HydrophobicContact CZ-CG 4.46Å; E50-F54 VanDerWaalsContact O-CD2 3.32Å; E50-F54 WeakPolarHBondContact O-CD2 3.17Å; E50-F54 PolarHBondContact O-N 3.32Å; I51-F54 PolarHBondContact O-N 2.87Å; I52-F54 PolarHBondContact O-N 3.07Å; F54-E56 VanDerWaalsContact C-N 3.34Å; F54-E56 PolarHBondContact O-N 3.15Å; F54-S57 CarbonylContact O-C 3.55Å; F54-S57 PolarHBondContact O-N 2.57Å; F54-A58 PolarHBondContact O-N 2.89Å; F54-F61 AromaticContact CD1-CE2 3.95Å; F54-F61 HydrophobicContact CD1-CE2 3.95Å; F54-F61 HydrophobicContact CD1-CZ 4.15Å; F54-F61 HydrophobicContact CE1-CE2 4.23Å; F54-F61 AromaticContact CE1-CZ 3.95Å; F54-F61 HydrophobicContact CE1-CZ 3.95Å; F54-V68 HydrophobicContact CB-CG1 4.2Å; F54-V68 HydrophobicContact CD1-CG1 3.93Å; F54-V68 HydrophobicContact CG-CG1 4.18Å; F54-I97 HydrophobicContact CB-CD1 4.04Å; F54-L125 HydrophobicContact CE2-CD1 4.27Å; F54-L125 HydrophobicContact CZ-CD1 3.66Å; F54-V148 HydrophobicContact CD1-CG1 4Å; F54-V148 HydrophobicContact CD1-CG2 3.98Å; F54-V148 HydrophobicContact CD2-CG2 4.02Å; F54-V148 HydrophobicContact CE1-CB 4.29Å; F54-V148 HydrophobicContact CE1-CG1 4.05Å; F54-V148 HydrophobicContact CE1-CG2 3.96Å; F54-V148 HydrophobicContact CE2-CG2 4.01Å; F54-V148 HydrophobicContact CG-CG2 3.99Å; F54-V148 HydrophobicContact CZ-CG2 3.97Å; F54-T151 HydrophobicContact CE1-CG2 3.98Å; F54-T151 HydrophobicContact CZ-CG2 4.27Å
55	S	98.1	Very high	95.4	Very high	7 Å²	7	51 Å²	51	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-41.1	176.6	-178.4	0	0	0	0	112.3	I51 I52 S57 A58 D96	I51-S55 WeakPolarHBondContact O-CB 3.44Å; I51-S55 PolarHBondContact O-N 3.5Å; I52-S55 WeakPolarHBondContact O-CB 3.35Å; I52-S55 PolarHBondContact O-N 3.36Å; I52-S55 VanDerWaalsContact O-N 3.16Å; S55-S57 VanDerWaalsContact C-N 3.31Å; S55-A58 WeakPolarHBondContact O-CB 2.93Å; S55-A58 PolarHBondContact O-N 3.41Å; S55-D96 PolarHBondContact OG-N 3.4Å
56	E	97.9	Very high	96.1	Very high	126 Å²	126	41.7 Å²	41.7	59%	0.589	22%	0.221	S	C	*	.	H	α-helix	trans	-71.3	-29.6	178.5	-72	178.9	165	0	0	112.3	I52 F54 R87	I52-E56 HydrophobicContact CG2-CG 4.3Å; I52-E56 WeakPolarHBondContact O-CG 3.33Å; I52-E56 PolarHBondContact O-N 2.95Å; F54-E56 VanDerWaalsContact C-N 3.34Å; F54-E56 PolarHBondContact O-N 3.15Å; E56-R87 IonicContact OE1-CZ 3.57Å; E56-R87 IonicContact OE1-NH1 2.65Å; E56-R87 PolarHBondContact OE1-NH1 3.14Å; E56-R87 IonicContact OE1-NH2 3.99Å
57	S	98.1	Very high	96.9	Very high	38 Å²	38	41.3 Å²	41.3	27%	0.266	22%	0.217	S	C	.	.	H	α-helix	trans	-90.6	-0.4	178	-58.1	0	0	0	0	113.5	A53 F54 S55 A59 E60 F61	A53-S57 WeakPolarHBondContact O-CB 3.21Å; A53-S57 PolarHBondContact O-N 2.86Å; A53-S57 VanDerWaalsContact O-N 3.12Å; A53-S57 PolarHBondContact O-OG 3.01Å; F54-S57 CarbonylContact O-C 3.55Å; F54-S57 PolarHBondContact O-N 2.57Å; S55-S57 VanDerWaalsContact C-N 3.31Å; S57-A59 PolarHBondContact O-N 3.19Å; S57-A59 VanDerWaalsContact O-N 3.14Å; S57-E60 WeakPolarHBondContact O-CB 3.25Å; S57-E60 PolarHBondContact O-N 3.26Å; S57-F61 WeakPolarHBondContact O-CD2 3.21Å; S57-F61 PolarHBondContact O-N 2.98Å
58	A	98.3	Very high	97.6	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-55.5	-36.7	-174.1	0	0	0	0	0	112.5	F54 S55 E60 F61 R62 D96 I97	F54-A58 PolarHBondContact O-N 2.89Å; S55-A58 WeakPolarHBondContact O-CB 2.93Å; S55-A58 PolarHBondContact O-N 3.41Å; A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 2.94Å; A58-F61 PolarHBondContact O-N 3.29Å; A58-R62 WeakPolarHBondContact O-CG 3.47Å; A58-R62 PolarHBondContact O-N 3.49Å; A58-D96 HydrophobicContact CB-CB 4.16Å; A58-I97 HydrophobicContact CB-CG2 3.88Å
59	A	98.4	Very high	98	Very high	47 Å²	47	40.9 Å²	40.9	39%	0.388	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-37	175.4	0	0	0	0	0	113.2	S57 R62 K63	S57-A59 PolarHBondContact O-N 3.19Å; S57-A59 VanDerWaalsContact O-N 3.14Å; A59-R62 PolarHBondContact O-N 2.78Å; A59-K63 VanDerWaalsContact O-CG 3.3Å; A59-K63 WeakPolarHBondContact O-CG 3.49Å; A59-K63 PolarHBondContact O-N 2.94Å
60	E	98.5	Very high	98.2	Very high	85 Å²	85	36.7 Å²	36.7	40%	0.397	19%	0.189	S	C	.	.	H	α-helix	trans	-68	-38.3	177.6	-61.3	-52.3	130.3	0	0	111.9	S57 A58 K63 L152	S57-E60 WeakPolarHBondContact O-CB 3.25Å; S57-E60 PolarHBondContact O-N 3.26Å; A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 2.94Å; E60-K63 VanDerWaalsContact CD-NZ 3.32Å; E60-K63 IonicContact OE1-NZ 3.63Å; E60-K63 PolarHBondContact OE1-NZ 3.39Å; E60-K63 IonicContact OE2-NZ 3.78Å; E60-K63 PolarHBondContact OE2-NZ 2.97Å; E60-L152 HydrophobicContact CB-CD2 4.15Å
61	F	98.8	Very high	98.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-45.5	172.4	-70	-81.3	0	0	0	111.3	V35 F54 S57 A58 K63 I64 N65 C66 V68 V148 T151 L152 V155	V35-F61 HydrophobicContact CG2-CD1 4.35Å; V35-F61 HydrophobicContact CG2-CE1 4.12Å; F54-F61 AromaticContact CD1-CE2 3.95Å; F54-F61 HydrophobicContact CD1-CE2 3.95Å; F54-F61 HydrophobicContact CD1-CZ 4.15Å; F54-F61 HydrophobicContact CE1-CE2 4.23Å; F54-F61 AromaticContact CE1-CZ 3.95Å; F54-F61 HydrophobicContact CE1-CZ 3.95Å; S57-F61 WeakPolarHBondContact O-CD2 3.21Å; S57-F61 PolarHBondContact O-N 2.98Å; A58-F61 PolarHBondContact O-N 3.29Å; F61-K63 VanDerWaalsContact C-N 3.33Å; F61-K63 PolarHBondContact O-N 3.21Å; F61-I64 CarbonylContact O-C 3.55Å; F61-I64 WeakPolarHBondContact O-CG1 3.2Å; F61-I64 PolarHBondContact O-N 3.23Å; F61-I64 VanDerWaalsContact O-N 3.1Å; F61-N65 PolarHBondContact O-N 2.94Å; F61-C66 CarbonylContact C-O 3.59Å; F61-C66 HydrophobicContact CB-CB 4.11Å; F61-C66 HydrophobicContact CD1-CB 4.38Å; F61-C66 WeakPolarHBondContact O-CA 3.42Å; F61-C66 WeakPolarHBondContact O-CB 3.31Å; F61-C66 PolarHBondContact O-N 3.1Å; F61-C66 VanDerWaalsContact O-O 3.14Å; F61-V68 HydrophobicContact CB-CG2 3.88Å; F61-V68 HydrophobicContact CD1-CG2 4.05Å; F61-V68 HydrophobicContact CD2-CG2 3.64Å; F61-V68 HydrophobicContact CE2-CG2 4.18Å; F61-V68 HydrophobicContact CG-CG2 3.58Å; F61-V148 HydrophobicContact CE2-CG1 3.86Å; F61-V148 HydrophobicContact CZ-CG1 4.1Å; F61-T151 HydrophobicContact CE1-CG2 4.07Å; F61-T151 HydrophobicContact CZ-CG2 4.17Å; F61-L152 HydrophobicContact CD1-CD1 3.92Å; F61-L152 HydrophobicContact CE1-CB 4.08Å; F61-L152 HydrophobicContact CE1-CD1 3.92Å; F61-L152 HydrophobicContact CG-CD1 4.35Å; F61-L152 HydrophobicContact CZ-CB 4.01Å; F61-L152 HydrophobicContact CZ-CD1 4.33Å; F61-V155 HydrophobicContact CE1-CG2 4.36Å
62	R	98.7	Very high	98.5	Very high	92 Å²	92	36.3 Å²	36.3	35%	0.347	19%	0.187	S	C	.	.	H	α-helix	trans	-65.3	-33.3	-179.6	-69.9	-174.2	-163.5	126	-8.9	113.3	A58 A59 I64 N65 C66 E67 D96	A58-R62 WeakPolarHBondContact O-CG 3.47Å; A58-R62 PolarHBondContact O-N 3.49Å; A59-R62 PolarHBondContact O-N 2.78Å; R62-I64 PolarHBondContact O-N 2.93Å; R62-N65 PolarHBondContact O-N 3.42Å; R62-C66 WeakPolarHBondContact CA-O 3.42Å; R62-C66 PolarHBondContact N-O 3.05Å; R62-E67 IonicContact NE-OE2 2.97Å; R62-E67 PolarHBondContact NE-OE2 3.22Å; R62-D96 IonicContact CZ-OD1 2.76Å; R62-D96 IonicContact CZ-OD2 3.55Å; R62-D96 IonicContact NH1-OD1 3.66Å; R62-D96 PolarHBondContact NH1-OD1 3.15Å; R62-D96 IonicContact NH1-OD2 2.65Å; R62-D96 PolarHBondContact NH1-OD2 2.94Å; R62-D96 PolarHBondContact NH2-O 3.1Å; R62-D96 IonicContact NH2-OD1 3.69Å; R62-D96 PolarHBondContact NH2-OD1 3.26Å; R62-D96 IonicContact NH2-OD2 3.32Å
63	K	98.6	Very high	98.5	Very high	149 Å²	149	35.6 Å²	35.6	65%	0.648	18%	0.183	S	C	*	.	H	α-helix	trans	-56	-30.4	173.8	-78.9	172.7	-171.6	172.1	0	112.7	A59 E60 F61	A59-K63 VanDerWaalsContact O-CG 3.3Å; A59-K63 WeakPolarHBondContact O-CG 3.49Å; A59-K63 PolarHBondContact O-N 2.94Å; E60-K63 VanDerWaalsContact CD-NZ 3.32Å; E60-K63 IonicContact OE1-NZ 3.63Å; E60-K63 PolarHBondContact OE1-NZ 3.39Å; E60-K63 IonicContact OE2-NZ 3.78Å; E60-K63 PolarHBondContact OE2-NZ 2.97Å; F61-K63 VanDerWaalsContact C-N 3.33Å; F61-K63 PolarHBondContact O-N 3.21Å
64	I	98.6	Very high	98.6	Very high	40 Å²	40	35.1 Å²	35.1	21%	0.205	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	25.1	177.8	65.4	172.3	0	0	0	112.4	F61 R62 C66 L152 V155 Q156 Q159	F61-I64 CarbonylContact O-C 3.55Å; F61-I64 WeakPolarHBondContact O-CG1 3.2Å; F61-I64 PolarHBondContact O-N 3.23Å; F61-I64 VanDerWaalsContact O-N 3.1Å; R62-I64 PolarHBondContact O-N 2.93Å; I64-C66 VanDerWaalsContact C-N 3.31Å; I64-C66 HydrophobicContact CG1-CB 4.18Å; I64-C66 PolarHBondContact O-N 3.17Å; I64-L152 HydrophobicContact CD1-CD1 3.7Å; I64-V155 HydrophobicContact CD1-CB 4.23Å; I64-V155 HydrophobicContact CD1-CG1 3.62Å; I64-V155 HydrophobicContact CG1-CG1 4.42Å; I64-Q156 HydrophobicContact CD1-CG 3.73Å; I64-Q159 PolarHBondContact O-NE2 3.35Å; I64-Q159 PolarHBondContact O-OE1 3.28Å
65	N	98.8	Very high	98.6	Very high	82 Å²	82	36.1 Å²	36.1	44%	0.439	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	41.7	-179.9	-167	45.4	0	0	0	113.6	G31 K32 Y33 F61 R62	G31-N65 PolarHBondContact O-ND2 3.15Å; K32-N65 WeakPolarHBondContact CG-OD1 3.35Å; Y33-N65 PolarHBondContact N-O 3.48Å; F61-N65 PolarHBondContact O-N 2.94Å; R62-N65 PolarHBondContact O-N 3.42Å
66	C	98.9	Very high	98.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.8	174.8	-174.6	0	0	0	0	110.6	Y33 F61 R62 I64 V155	Y33-C66 CarbonylContact O-C 3.57Å; Y33-C66 VanDerWaalsContact O-CA 3.28Å; Y33-C66 WeakPolarHBondContact O-CA 3.18Å; F61-C66 CarbonylContact C-O 3.59Å; F61-C66 HydrophobicContact CB-CB 4.11Å; F61-C66 HydrophobicContact CD1-CB 4.38Å; F61-C66 WeakPolarHBondContact O-CA 3.42Å; F61-C66 WeakPolarHBondContact O-CB 3.31Å; F61-C66 PolarHBondContact O-N 3.1Å; F61-C66 VanDerWaalsContact O-O 3.14Å; R62-C66 WeakPolarHBondContact CA-O 3.42Å; R62-C66 PolarHBondContact N-O 3.05Å; I64-C66 VanDerWaalsContact C-N 3.31Å; I64-C66 HydrophobicContact CG1-CB 4.18Å; I64-C66 PolarHBondContact O-N 3.17Å; C66-V155 HydrophobicContact CB-CG1 3.99Å
67	E	98.8	Very high	98.6	Very high	32 Å²	32	38 Å²	38	15%	0.15	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	161.1	170.5	-61.7	-68.7	170.4	0	0	110.4	Y29 K32 Y33 L34 V35 R62	Y29-E67 HydrophobicContact CD1-CB 3.75Å; Y29-E67 HydrophobicContact CD1-CG 3.87Å; Y29-E67 HydrophobicContact CE1-CB 3.77Å; Y29-E67 HydrophobicContact CE1-CG 3.99Å; K32-E67 HydrophobicContact CD-CG 3.71Å; K32-E67 IonicContact NZ-OE1 3.61Å; K32-E67 PolarHBondContact NZ-OE1 2.78Å; Y33-E67 PolarHBondContact O-N 3.45Å; L34-E67 WeakPolarHBondContact CA-O 3.38Å; L34-E67 HydrophobicContact CD1-CB 4.28Å; V35-E67 PolarHBondContact N-O 2.93Å; R62-E67 IonicContact NE-OE2 2.97Å; R62-E67 PolarHBondContact NE-OE2 3.22Å
68	V	98.8	Very high	98.6	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.4	179.6	-173.9	0	0	0	0	109.4	V35 F37 F54 F61 I97 P98	V35-V68 HydrophobicContact CB-CB 4.49Å; V35-V68 HydrophobicContact CB-CG1 4.23Å; V35-V68 HydrophobicContact CB-CG2 4.2Å; V35-V68 HydrophobicContact CG1-CG1 4.23Å; V35-V68 CarbonylContact O-C 3.4Å; V35-V68 WeakPolarHBondContact O-CA 3.34Å; F37-V68 HydrophobicContact CD1-CG1 3.91Å; F37-V68 HydrophobicContact CE1-CG1 3.78Å; F54-V68 HydrophobicContact CB-CG1 4.2Å; F54-V68 HydrophobicContact CD1-CG1 3.93Å; F54-V68 HydrophobicContact CG-CG1 4.18Å; F61-V68 HydrophobicContact CB-CG2 3.88Å; F61-V68 HydrophobicContact CD1-CG2 4.05Å; F61-V68 HydrophobicContact CD2-CG2 3.64Å; F61-V68 HydrophobicContact CE2-CG2 4.18Å; F61-V68 HydrophobicContact CG-CG2 3.58Å; V68-I97 HydrophobicContact CB-CG2 3.93Å; V68-I97 HydrophobicContact CG1-CG2 4.35Å; V68-P98 WeakPolarHBondContact O-CD 3.21Å
69	I	98.9	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.9	176.2	-60.2	168.3	0	0	0	109	F11 I24 Y29 L34 V35 L36 F37 P98 L100	F11-I69 HydrophobicContact CE2-CD1 4.32Å; F11-I69 HydrophobicContact CZ-CD1 3.91Å; I24-I69 HydrophobicContact CD1-CD1 4.18Å; I24-I69 HydrophobicContact CD1-CG2 4.38Å; Y29-I69 HydrophobicContact CD2-CD1 4.19Å; Y29-I69 HydrophobicContact CE1-CD1 4.04Å; Y29-I69 HydrophobicContact CE1-CG1 4.38Å; Y29-I69 HydrophobicContact CE2-CD1 3.51Å; Y29-I69 VanDerWaalsContact CZ-CD1 3.42Å; Y29-I69 WeakPolarHBondContact OH-CD1 3.38Å; L34-I69 HydrophobicContact CD1-CB 4.45Å; L34-I69 HydrophobicContact CD1-CD1 3.56Å; L34-I69 HydrophobicContact CD1-CG1 3.75Å; L34-I69 HydrophobicContact CD2-CD1 4.07Å; L34-I69 HydrophobicContact CG-CD1 4.43Å; V35-I69 PolarHBondContact O-N 3.09Å; L36-I69 HydrophobicContact CD1-CB 4.1Å; L36-I69 HydrophobicContact CD1-CG2 3.95Å; F37-I69 WeakPolarHBondContact CD1-O 3.48Å; F37-I69 PolarHBondContact N-O 3.48Å; I69-P98 HydrophobicContact CG1-CB 4.43Å; I69-P98 HydrophobicContact CG1-CG 4.41Å; I69-P98 HydrophobicContact CG2-CB 4.47Å; I69-L100 HydrophobicContact CG2-CB 3.99Å
70	G	98.7	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	145.8	165.1	0	0	0	0	0	110.9	F37 P98 L99 L100	F37-G70 VanDerWaalsContact CE1-CA 3.49Å; F37-G70 CarbonylContact O-C 3.07Å; F37-G70 WeakPolarHBondContact O-CA 3.41Å; G70-P98 PolarHBondContact N-O 2.89Å; G70-L99 CarbonylContact O-C 3.51Å; G70-L99 WeakPolarHBondContact O-CA 3.5Å; G70-L100 PolarHBondContact O-N 2.75Å
71	C	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	136.5	-179.7	-174.7	0	0	0	0	111.2	L36 F37 F38 Y39 L100	L36-C71 HydrophobicContact CD1-CB 4.06Å; F37-C71 PolarHBondContact O-N 2.91Å; F38-C71 CarbonylContact C-O 3.58Å; F38-C71 WeakPolarHBondContact CA-O 3.19Å; F38-C71 HydrophobicContact CD1-CB 3.88Å; F38-C71 HydrophobicContact CE1-CB 4.04Å; F38-C71 VanDerWaalsContact CE1-SG 3.56Å; F38-C71 HydrophobicContact CG-CB 4.39Å; Y39-C71 WeakPolarHBondContact CD1-O 3.41Å; Y39-C71 PolarHBondContact N-O 3.35Å; C71-L100 WeakPolarHBondContact CA-O 3.45Å; C71-L100 HydrophobicContact CB-CB 4.23Å
72	S	98.7	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	177.8	165.5	83.4	0	0	0	0	110.7	Y39 D74 H79 L100 D102	Y39-S72 VanDerWaalsContact CE2-CB 3.5Å; Y39-S72 WeakPolarHBondContact O-CB 3.29Å; S72-D74 PolarHBondContact O-N 3.37Å; S72-D74 VanDerWaalsContact OG-CB 3.32Å; S72-D74 WeakPolarHBondContact OG-CB 3.48Å; S72-D74 PolarHBondContact OG-N 2.86Å; S72-D74 VanDerWaalsContact OG-N 3.12Å; S72-D74 PolarHBondContact OG-OD2 3.02Å; S72-H79 PolarHBondContact OG-CE1 2.95Å; S72-L100 PolarHBondContact N-O 2.91Å; S72-D102 WeakPolarHBondContact O-CB 3.28Å; S72-D102 PolarHBondContact O-N 3.18Å
73	T	98.6	Very high	98.5	Very high	10 Å²	10	32.3 Å²	32.3	6%	0.061	17%	0.167	C	C	.	.	S	Bend	trans	-84.2	5.5	176	53.3	0	0	0	0	113.2	D102 K103 M105 L114 G119	T73-D102 WeakPolarHBondContact CA-O 3.48Å; T73-K103 WeakPolarHBondContact O-CD 3.41Å; T73-M105 HydrophobicContact CG2-CB 4.2Å; T73-M105 HydrophobicContact CG2-CG 3.81Å; T73-L114 HydrophobicContact CG2-CD1 4.28Å; T73-G119 PolarHBondContact OG1-O 3.15Å; T73-G119 VanDerWaalsContact OG1-O 3.05Å
74	D	98.7	Very high	98.5	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.123	17%	0.165	C	C	.	.	S	Bend	trans	-70.5	168.2	172.2	-64.8	-73.6	0	0	0	112	L41 D42 S72 T78 A101	L41-D74 WeakPolarHBondContact CA-OD2 3.44Å; D42-D74 HydrophobicContact CB-CB 4.43Å; D42-D74 PolarHBondContact N-OD2 2.86Å; S72-D74 PolarHBondContact O-N 3.37Å; S72-D74 VanDerWaalsContact OG-CB 3.32Å; S72-D74 WeakPolarHBondContact OG-CB 3.48Å; S72-D74 PolarHBondContact OG-N 2.86Å; S72-D74 VanDerWaalsContact OG-N 3.12Å; S72-D74 PolarHBondContact OG-OD2 3.02Å; D74-T78 HydrophobicContact CB-CG2 4.28Å; D74-A101 WeakPolarHBondContact O-CB 3.37Å
75	S	98.4	Very high	98.4	Very high	22 Å²	22	30.2 Å²	30.2	15%	0.154	17%	0.165	C	C	.	.			trans	-87.8	157	176.9	77	0	0	0	0	111.3	F77 T78 H79	S75-F77 PolarHBondContact O-N 2.78Å; S75-F77 VanDerWaalsContact O-N 3.14Å; S75-F77 PolarHBondContact OG-N 3.47Å; S75-T78 WeakPolarHBondContact O-CA 3.35Å; S75-T78 WeakPolarHBondContact O-CB 3.39Å; S75-T78 PolarHBondContact O-N 3Å; S75-T78 PolarHBondContact OG-N 2.89Å; S75-T78 VanDerWaalsContact OG-N 3.14Å; S75-T78 PolarHBondContact OG-OG1 3.38Å; S75-H79 PolarHBondContact O-N 2.93Å
76	Q	98.5	Very high	98.3	Very high	42 Å²	42	29.4 Å²	29.4	20%	0.196	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-27.7	172.1	70.1	-80.6	21.5	0	0	112.7	T14 V16 F21 L80 A101	T14-Q76 HydrophobicContact CG2-CB 4.18Å; T14-Q76 HydrophobicContact CG2-CG 4.01Å; V16-Q76 HydrophobicContact CG2-CB 4.27Å; V16-Q76 WeakPolarHBondContact CG2-O 3.24Å; F21-Q76 HydrophobicContact CD1-CB 3.96Å; F21-Q76 HydrophobicContact CD1-CG 3.84Å; F21-Q76 HydrophobicContact CD2-CG 4.36Å; F21-Q76 HydrophobicContact CE1-CB 3.9Å; F21-Q76 HydrophobicContact CE1-CG 3.74Å; F21-Q76 WeakPolarHBondContact CE1-O 3.43Å; F21-Q76 HydrophobicContact CE2-CG 4.27Å; F21-Q76 HydrophobicContact CG-CG 4.17Å; F21-Q76 HydrophobicContact CZ-CG 3.98Å; Q76-L80 WeakPolarHBondContact O-CB 3.47Å; Q76-L80 PolarHBondContact O-N 3.2Å; Q76-A101 HydrophobicContact CB-CB 4.13Å
77	F	98.6	Very high	98.1	Very high	130 Å²	130	34.1 Å²	34.1	57%	0.57	18%	0.182	S	C	*	.	H	α-helix	trans	-69.5	-41.1	174.5	-56.1	-75.4	0	0	0	111.6	F21 S75 L80 A81	F21-F77 AromaticContact CE2-CD1 3.89Å; F21-F77 HydrophobicContact CE2-CD1 3.89Å; F21-F77 AromaticContact CE2-CE1 3.63Å; F21-F77 HydrophobicContact CE2-CE1 3.63Å; F21-F77 HydrophobicContact CE2-CZ 4.44Å; F21-F77 AromaticContact CZ-CD1 3.69Å; F21-F77 HydrophobicContact CZ-CD1 3.69Å; F21-F77 AromaticContact CZ-CE1 3.95Å; F21-F77 HydrophobicContact CZ-CE1 3.95Å; F21-F77 HydrophobicContact CZ-CG 4.44Å; S75-F77 PolarHBondContact O-N 2.78Å; S75-F77 VanDerWaalsContact O-N 3.14Å; S75-F77 PolarHBondContact OG-N 3.47Å; F77-L80 PolarHBondContact O-N 3.4Å; F77-A81 WeakPolarHBondContact O-CB 3.19Å; F77-A81 PolarHBondContact O-N 3.47Å
78	T	98.3	Very high	97.9	Very high	41 Å²	41	42.9 Å²	42.9	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-63.2	-47.1	174.9	-47.2	0	0	0	0	110.3	D42 F43 D74 S75 L80 A81 W82	D42-T78 HydrophobicContact CB-CG2 3.75Å; D42-T78 VanDerWaalsContact OD2-C 3.31Å; D42-T78 WeakPolarHBondContact OD2-CG2 3Å; F43-T78 HydrophobicContact CD2-CG2 4.11Å; F43-T78 HydrophobicContact CE2-CG2 3.82Å; D74-T78 HydrophobicContact CB-CG2 4.28Å; S75-T78 WeakPolarHBondContact O-CA 3.35Å; S75-T78 WeakPolarHBondContact O-CB 3.39Å; S75-T78 PolarHBondContact O-N 3Å; S75-T78 PolarHBondContact OG-N 2.89Å; S75-T78 VanDerWaalsContact OG-N 3.14Å; S75-T78 PolarHBondContact OG-OG1 3.38Å; T78-L80 VanDerWaalsContact C-N 3.34Å; T78-L80 PolarHBondContact O-N 3.37Å; T78-A81 PolarHBondContact O-N 2.79Å; T78-W82 WeakPolarHBondContact O-CB 3.49Å; T78-W82 PolarHBondContact O-N 3.06Å
79	H	98.4	Very high	97.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.1	-48	175.9	-66.1	-21.4	0	0	0	111.8	V16 Y39 D42 S72 S75 A81 W82 I83 L99 L100	V16-H79 HydrophobicContact CB-CB 4.48Å; V16-H79 HydrophobicContact CG2-CB 3.63Å; Y39-H79 PolarHBondContact OH-CE1 3.43Å; Y39-H79 PolarHBondContact OH-ND1 3.12Å; D42-H79 IonicContact OD1-CE1 2.74Å; D42-H79 IonicContact OD1-ND1 3.22Å; D42-H79 PolarHBondContact OD1-ND1 2.96Å; D42-H79 WeakPolarHBondContact OD2-CA 3.4Å; D42-H79 IonicContact OD2-CE1 3.72Å; D42-H79 IonicContact OD2-CG 2.82Å; D42-H79 PolarHBondContact OD2-N 3.27Å; D42-H79 VanDerWaalsContact OD2-N 3.17Å; D42-H79 IonicContact OD2-ND1 3.26Å; D42-H79 PolarHBondContact OD2-ND1 3.02Å; S72-H79 PolarHBondContact OG-CE1 2.95Å; S75-H79 PolarHBondContact O-N 2.93Å; H79-A81 PolarHBondContact O-N 2.89Å; H79-W82 PolarHBondContact O-N 3.06Å; H79-I83 WeakPolarHBondContact O-CB 3.2Å; H79-I83 VanDerWaalsContact O-CG1 3.29Å; H79-I83 WeakPolarHBondContact O-CG1 3.44Å; H79-I83 PolarHBondContact O-N 2.85Å; H79-L99 HydrophobicContact CB-CB 4.3Å; H79-L99 HydrophobicContact CB-CD1 4.33Å; H79-L99 PolarHBondContact CD2-O 2.96Å; H79-L100 PolarHBondContact NE2-O 3.21Å
80	L	98.2	Very high	97.5	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-40.9	179.9	-177.9	61.1	0	0	0	111.8	V16 F21 Q76 F77 T78 W82 I83 N84	V16-L80 HydrophobicContact CG1-CD1 4.12Å; V16-L80 HydrophobicContact CG2-CB 4.26Å; F21-L80 HydrophobicContact CE1-CB 4Å; F21-L80 HydrophobicContact CE1-CD2 3.84Å; F21-L80 HydrophobicContact CZ-CB 4.41Å; F21-L80 HydrophobicContact CZ-CD2 3.76Å; Q76-L80 WeakPolarHBondContact O-CB 3.47Å; Q76-L80 PolarHBondContact O-N 3.2Å; F77-L80 PolarHBondContact O-N 3.4Å; T78-L80 VanDerWaalsContact C-N 3.34Å; T78-L80 PolarHBondContact O-N 3.37Å; L80-W82 VanDerWaalsContact C-N 3.29Å; L80-W82 PolarHBondContact O-N 3.33Å; L80-I83 PolarHBondContact O-N 3.03Å; L80-N84 WeakPolarHBondContact O-CB 3.29Å; L80-N84 VanDerWaalsContact O-CG 3.22Å; L80-N84 PolarHBondContact O-N 3.47Å; L80-N84 PolarHBondContact O-ND2 2.9Å; L80-N84 VanDerWaalsContact O-ND2 3.14Å
81	A	98.3	Very high	97.4	Very high	48 Å²	48	51.6 Å²	51.6	40%	0.397	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-40.1	174	0	0	0	0	0	111.6	F43 F77 T78 H79 N84 T85	F43-A81 HydrophobicContact CZ-CB 4.3Å; F77-A81 WeakPolarHBondContact O-CB 3.19Å; F77-A81 PolarHBondContact O-N 3.47Å; T78-A81 PolarHBondContact O-N 2.79Å; H79-A81 PolarHBondContact O-N 2.89Å; A81-N84 PolarHBondContact O-N 3.04Å; A81-T85 PolarHBondContact O-N 3.31Å; A81-T85 VanDerWaalsContact O-N 3.11Å; A81-T85 PolarHBondContact O-OG1 3.23Å
82	W	97.8	Very high	97.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-72.4	-37.1	-179.5	-160.4	28.1	0	0	0	113.1	Y39 D42 F43 C47 P48 I51 T78 H79 L80 N84 T85 G90 L92	Y39-W82 AromaticContact CE2-CZ3 3.81Å; Y39-W82 HydrophobicContact CE2-CZ3 3.81Å; D42-W82 HydrophobicContact CB-CD2 4.02Å; D42-W82 HydrophobicContact CB-CE3 3.6Å; D42-W82 HydrophobicContact CB-CZ3 4Å; D42-W82 VanDerWaalsContact OD1-CZ3 3.3Å; D42-W82 WeakPolarHBondContact OD1-CZ3 3.31Å; F43-W82 AromaticContact CD1-CD1 3.42Å; F43-W82 VanDerWaalsContact CD1-CD1 3.42Å; F43-W82 HydrophobicContact CD1-CG 4.18Å; F43-W82 AromaticContact CD1-NE1 3.83Å; F43-W82 HydrophobicContact CD2-CB 4.32Å; F43-W82 HydrophobicContact CD2-CG 4.16Å; F43-W82 HydrophobicContact CE1-CB 4.15Å; F43-W82 AromaticContact CE1-CD1 3.36Å; F43-W82 AromaticContact CE1-CG 4Å; F43-W82 HydrophobicContact CE1-CG 4Å; F43-W82 HydrophobicContact CE2-CB 3.67Å; F43-W82 AromaticContact CE2-CG 3.96Å; F43-W82 HydrophobicContact CE2-CG 3.96Å; F43-W82 AromaticContact CG-CD1 3.85Å; F43-W82 HydrophobicContact CG-CG 4.26Å; F43-W82 HydrophobicContact CZ-CB 3.58Å; F43-W82 AromaticContact CZ-CD1 3.73Å; F43-W82 AromaticContact CZ-CG 3.89Å; F43-W82 HydrophobicContact CZ-CG 3.89Å; F43-W82 VanDerWaalsContact N-CZ2 3.31Å; C47-W82 HydrophobicContact CB-CH2 3.84Å; P48-W82 HydrophobicContact CB-CH2 4.14Å; P48-W82 HydrophobicContact CB-CZ2 3.64Å; P48-W82 HydrophobicContact CG-CH2 4.5Å; P48-W82 HydrophobicContact CG-CZ2 3.93Å; I51-W82 HydrophobicContact CD1-CE3 4.48Å; I51-W82 HydrophobicContact CD1-CH2 3.81Å; I51-W82 HydrophobicContact CD1-CZ3 3.45Å; I51-W82 VanDerWaalsContact CD1-CZ3 3.45Å; T78-W82 WeakPolarHBondContact O-CB 3.49Å; T78-W82 PolarHBondContact O-N 3.06Å; H79-W82 PolarHBondContact O-N 3.06Å; L80-W82 VanDerWaalsContact C-N 3.29Å; L80-W82 PolarHBondContact O-N 3.33Å; W82-N84 VanDerWaalsContact C-N 3.32Å; W82-T85 WeakPolarHBondContact O-CB 3.28Å; W82-T85 PolarHBondContact O-N 2.92Å; W82-T85 VanDerWaalsContact O-N 3.15Å; W82-G90 PolarHBondContact NE1-O 2.7Å; W82-L92 HydrophobicContact CD2-CD1 3.86Å; W82-L92 HydrophobicContact CD2-CD2 4.12Å; W82-L92 HydrophobicContact CD2-CG 3.67Å; W82-L92 HydrophobicContact CE3-CD1 3.52Å; W82-L92 HydrophobicContact CE3-CD2 4.12Å; W82-L92 HydrophobicContact CE3-CG 3.82Å; W82-L92 HydrophobicContact CG-CD1 4.32Å; W82-L92 HydrophobicContact CG-CG 4.06Å; W82-L92 HydrophobicContact CH2-CD2 3.99Å; W82-L92 HydrophobicContact CZ2-CD2 3.99Å; W82-L92 HydrophobicContact CZ2-CG 4.45Å; W82-L92 HydrophobicContact CZ3-CD1 4Å; W82-L92 HydrophobicContact CZ3-CD2 4.04Å; W82-L92 HydrophobicContact CZ3-CG 4.25Å; W82-L92 PolarHBondContact O-N 2.75Å; W82-L92 VanDerWaalsContact O-N 3.08Å
83	I	97.8	Very high	97.1	Very high	15 Å²	15	52.4 Å²	52.4	8%	0.077	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-45	168.8	-73.8	168.6	0	0	0	110.8	V16 H79 L80 T85 L92 G93 M95 L99	V16-I83 HydrophobicContact CB-CD1 3.96Å; V16-I83 HydrophobicContact CG1-CD1 3.58Å; H79-I83 WeakPolarHBondContact O-CB 3.2Å; H79-I83 VanDerWaalsContact O-CG1 3.29Å; H79-I83 WeakPolarHBondContact O-CG1 3.44Å; H79-I83 PolarHBondContact O-N 2.85Å; L80-I83 PolarHBondContact O-N 3.03Å; I83-T85 PolarHBondContact O-N 3.47Å; I83-L92 HydrophobicContact CG1-CD1 4.14Å; I83-G93 CarbonylContact O-C 3.51Å; I83-G93 WeakPolarHBondContact O-CA 3.22Å; I83-G93 PolarHBondContact O-N 3.33Å; I83-M95 HydrophobicContact CD1-CB 4.45Å; I83-M95 HydrophobicContact CD1-CG 4.1Å; I83-M95 HydrophobicContact CG1-CG 3.73Å; I83-L99 HydrophobicContact CD1-CD1 3.9Å; I83-L99 HydrophobicContact CG1-CD1 4.13Å
84	N	97.2	Very high	96.9	Very high	115 Å²	115	57.1 Å²	57.1	62%	0.615	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.1	178.9	-69	-27.4	0	0	0	113.6	L80 A81 W82	L80-N84 WeakPolarHBondContact O-CB 3.29Å; L80-N84 VanDerWaalsContact O-CG 3.22Å; L80-N84 PolarHBondContact O-N 3.47Å; L80-N84 PolarHBondContact O-ND2 2.9Å; L80-N84 VanDerWaalsContact O-ND2 3.14Å; A81-N84 PolarHBondContact O-N 3.04Å; W82-N84 VanDerWaalsContact C-N 3.32Å
85	T	97.3	Very high	96.8	Very high	31 Å²	31	56.7 Å²	56.7	19%	0.19	31%	0.309	C	S	.	.	S	Bend	trans	-81.7	130.1	175.7	-57.3	0	0	0	0	109.7	A81 W82 I83 Q89 G91 L92 G93	A81-T85 PolarHBondContact O-N 3.31Å; A81-T85 VanDerWaalsContact O-N 3.11Å; A81-T85 PolarHBondContact O-OG1 3.23Å; W82-T85 WeakPolarHBondContact O-CB 3.28Å; W82-T85 PolarHBondContact O-N 2.92Å; W82-T85 VanDerWaalsContact O-N 3.15Å; I83-T85 PolarHBondContact O-N 3.47Å; T85-Q89 HydrophobicContact CG2-CB 4.17Å; T85-G91 CarbonylContact O-C 3.52Å; T85-G91 VanDerWaalsContact O-CA 3.3Å; T85-G91 WeakPolarHBondContact O-CA 3.31Å; T85-L92 PolarHBondContact O-N 2.9Å; T85-G93 PolarHBondContact O-N 3.44Å
86	P	96.2	Very high	96.7	Very high	65 Å²	65	58.5 Å²	58.5	42%	0.422	32%	0.317	S	S	.	.			trans	-62.3	142.6	177.8	-23.9	34	0	0	0	112.7	K88 Q89 G91	P86-K88 PolarHBondContact O-N 2.89Å; P86-K88 VanDerWaalsContact O-N 3.15Å; P86-Q89 WeakPolarHBondContact O-CA 3.45Å; P86-Q89 PolarHBondContact O-N 3.39Å; P86-G91 PolarHBondContact O-N 3.41Å; P86-G91 VanDerWaalsContact O-N 3.11Å
87	R	95.3	Very high	96.7	Very high	99 Å²	99	56.8 Å²	56.8	37%	0.374	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-55	-35	177.3	-66.5	-176.3	-179.1	-177.2	1.3	114	I52 E56 Q89 G90 G91 L92	I52-R87 HydrophobicContact CD1-CG 3.96Å; I52-R87 VanDerWaalsContact CG2-CZ 3.49Å; E56-R87 IonicContact OE1-CZ 3.57Å; E56-R87 IonicContact OE1-NH1 2.65Å; E56-R87 PolarHBondContact OE1-NH1 3.14Å; E56-R87 IonicContact OE1-NH2 3.99Å; R87-Q89 PolarHBondContact O-N 2.98Å; R87-Q89 VanDerWaalsContact O-N 3.13Å; R87-G90 PolarHBondContact O-N 2.77Å; R87-G91 WeakPolarHBondContact CA-O 3.46Å; R87-L92 VanDerWaalsContact CG-O 3.22Å; R87-L92 WeakPolarHBondContact CG-O 3.47Å; R87-L92 PolarHBondContact NE-O 3.04Å
88	K	95	Very high	96.7	Very high	215 Å²	215	51.2 Å²	51.2	94%	0.935	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63.3	-16	175.9	-65.9	-172.6	179.5	-178.6	0	113.8	P86	P86-K88 PolarHBondContact O-N 2.89Å; P86-K88 VanDerWaalsContact O-N 3.15Å
89	Q	94.6	Very high	96.7	Very high	149 Å²	149	49.3 Å²	49.3	70%	0.696	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-108.3	15.2	176.5	-60.2	178.7	11.1	0	0	111.8	T85 P86 R87	T85-Q89 HydrophobicContact CG2-CB 4.17Å; P86-Q89 WeakPolarHBondContact O-CA 3.45Å; P86-Q89 PolarHBondContact O-N 3.39Å; R87-Q89 PolarHBondContact O-N 2.98Å; R87-Q89 VanDerWaalsContact O-N 3.13Å
90	G	93.9	Very high	96.7	Very high	37 Å²	37	49.3 Å²	49.3	38%	0.381	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	12.4	-177.3	0	0	0	0	0	114.6	W82 R87	W82-G90 PolarHBondContact NE1-O 2.7Å; R87-G90 PolarHBondContact O-N 2.77Å
91	G	96.5	Very high	96.8	Very high	1 Å²	1	48 Å²	48	1%	0.01	27%	0.269	C	S	.	.			trans	-82.7	-177.5	171.7	0	0	0	0	0	114	T85 P86 R87	T85-G91 CarbonylContact O-C 3.52Å; T85-G91 VanDerWaalsContact O-CA 3.3Å; T85-G91 WeakPolarHBondContact O-CA 3.31Å; P86-G91 PolarHBondContact O-N 3.41Å; P86-G91 VanDerWaalsContact O-N 3.11Å; R87-G91 WeakPolarHBondContact CA-O 3.46Å
92	L	97.2	Very high	96.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.			trans	-95.4	-33	179.8	-58.3	179.1	0	0	0	113	P48 I51 I52 W82 I83 T85 R87 M95 L99	P48-L92 HydrophobicContact CB-CD2 3.83Å; I51-L92 HydrophobicContact CB-CD2 4.06Å; I51-L92 HydrophobicContact CD1-CD1 4.45Å; I51-L92 HydrophobicContact CD1-CD2 4.2Å; I51-L92 HydrophobicContact CG2-CD1 4.01Å; I51-L92 HydrophobicContact CG2-CD2 4Å; I52-L92 HydrophobicContact CG1-CD2 4.34Å; W82-L92 HydrophobicContact CD2-CD1 3.86Å; W82-L92 HydrophobicContact CD2-CD2 4.12Å; W82-L92 HydrophobicContact CD2-CG 3.67Å; W82-L92 HydrophobicContact CE3-CD1 3.52Å; W82-L92 HydrophobicContact CE3-CD2 4.12Å; W82-L92 HydrophobicContact CE3-CG 3.82Å; W82-L92 HydrophobicContact CG-CD1 4.32Å; W82-L92 HydrophobicContact CG-CG 4.06Å; W82-L92 HydrophobicContact CH2-CD2 3.99Å; W82-L92 HydrophobicContact CZ2-CD2 3.99Å; W82-L92 HydrophobicContact CZ2-CG 4.45Å; W82-L92 HydrophobicContact CZ3-CD1 4Å; W82-L92 HydrophobicContact CZ3-CD2 4.04Å; W82-L92 HydrophobicContact CZ3-CG 4.25Å; W82-L92 PolarHBondContact O-N 2.75Å; W82-L92 VanDerWaalsContact O-N 3.08Å; I83-L92 HydrophobicContact CG1-CD1 4.14Å; T85-L92 PolarHBondContact O-N 2.9Å; R87-L92 VanDerWaalsContact CG-O 3.22Å; R87-L92 WeakPolarHBondContact CG-O 3.47Å; R87-L92 PolarHBondContact NE-O 3.04Å; L92-M95 HydrophobicContact CB-CE 3.83Å; L92-M95 HydrophobicContact CB-CG 4.22Å; L92-M95 HydrophobicContact CB-SD 3.87Å; L92-M95 HydrophobicContact CD1-CG 4.38Å; L92-M95 HydrophobicContact CD1-SD 4.15Å; L92-M95 HydrophobicContact CG-SD 4.49Å; L92-M95 WeakPolarHBondContact O-CE 3.48Å; L92-L99 HydrophobicContact CD1-CD1 3.6Å
93	G	95	Very high	96.8	Very high	17 Å²	17	52.6 Å²	52.6	18%	0.175	28%	0.281	C	S	.	.			trans	66.6	-160.5	-166.4	0	0	0	0	0	112.5	I83 T85 M95	I83-G93 CarbonylContact O-C 3.51Å; I83-G93 WeakPolarHBondContact O-CA 3.22Å; I83-G93 PolarHBondContact O-N 3.33Å; T85-G93 PolarHBondContact O-N 3.44Å; G93-M95 PolarHBondContact O-N 3.34Å
94	S	92.8	Very high	96.8	Very high	109 Å²	109	55.8 Å²	55.8	76%	0.762	30%	0.304	S	S	*	.	S	Bend	trans	-57.9	129.4	178.8	-172.7	0	0	0	0	111.5
95	M	96.7	Very high	96.9	Very high	13 Å²	13	53.4 Å²	53.4	6%	0.064	29%	0.29	C	S	.	.			trans	-112.2	136.3	-179.7	-68.5	-67.1	92.6	0	0	111.4	I51 I52 I83 L92 G93	I51-M95 HydrophobicContact CG2-SD 3.66Å; I52-M95 HydrophobicContact CG1-CE 4.31Å; I83-M95 HydrophobicContact CD1-CB 4.45Å; I83-M95 HydrophobicContact CD1-CG 4.1Å; I83-M95 HydrophobicContact CG1-CG 3.73Å; L92-M95 HydrophobicContact CB-CE 3.83Å; L92-M95 HydrophobicContact CB-CG 4.22Å; L92-M95 HydrophobicContact CB-SD 3.87Å; L92-M95 HydrophobicContact CD1-CG 4.38Å; L92-M95 HydrophobicContact CD1-SD 4.15Å; L92-M95 HydrophobicContact CG-SD 4.49Å; L92-M95 WeakPolarHBondContact O-CE 3.48Å; G93-M95 PolarHBondContact O-N 3.34Å
96	D	97.2	Very high	96.9	Very high	61 Å²	61	57.1 Å²	57.1	33%	0.326	30%	0.303	S	S	.	.	S	Bend	trans	-105.6	13.7	175.4	-164.8	17.4	0	0	0	111.7	S55 A58 R62	S55-D96 PolarHBondContact OG-N 3.4Å; A58-D96 HydrophobicContact CB-CB 4.16Å; R62-D96 IonicContact CZ-OD1 2.76Å; R62-D96 IonicContact CZ-OD2 3.55Å; R62-D96 IonicContact NH1-OD1 3.66Å; R62-D96 PolarHBondContact NH1-OD1 3.15Å; R62-D96 IonicContact NH1-OD2 2.65Å; R62-D96 PolarHBondContact NH1-OD2 2.94Å; R62-D96 PolarHBondContact NH2-O 3.1Å; R62-D96 IonicContact NH2-OD1 3.69Å; R62-D96 PolarHBondContact NH2-OD1 3.26Å; R62-D96 IonicContact NH2-OD2 3.32Å
97	I	98.5	Very high	97	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	29%	0.286	C	S	.	.	S	Bend	trans	-130.8	146.8	174.5	57.7	172.4	0	0	0	109.8	F37 I51 F54 A58 V68	F37-I97 HydrophobicContact CE1-CD1 3.87Å; F37-I97 HydrophobicContact CZ-CD1 3.95Å; I51-I97 HydrophobicContact CG2-CD1 4.32Å; F54-I97 HydrophobicContact CB-CD1 4.04Å; A58-I97 HydrophobicContact CB-CG2 3.88Å; V68-I97 HydrophobicContact CB-CG2 3.93Å; V68-I97 HydrophobicContact CG1-CG2 4.35Å
98	P	98.7	Very high	97.2	Very high	13 Å²	13	49.8 Å²	49.8	8%	0.084	27%	0.268	C	S	.	.			trans	-62	139.7	169	-23.8	36.1	0	0	0	112.1	A15 V16 V17 I24 V68 I69 G70	A15-P98 HydrophobicContact CB-CB 4.28Å; V16-P98 WeakPolarHBondContact O-CA 3.43Å; V17-P98 HydrophobicContact CG2-CB 3.89Å; V17-P98 HydrophobicContact CG2-CG 4.07Å; I24-P98 HydrophobicContact CD1-CB 4.1Å; V68-P98 WeakPolarHBondContact O-CD 3.21Å; I69-P98 HydrophobicContact CG1-CB 4.43Å; I69-P98 HydrophobicContact CG1-CG 4.41Å; I69-P98 HydrophobicContact CG2-CB 4.47Å; G70-P98 PolarHBondContact N-O 2.89Å
99	L	98.8	Very high	97.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	106.5	165	-59	-174.7	0	0	0	109.5	A15 V16 Y39 I51 G70 H79 I83 L92	A15-L99 CarbonylContact C-O 3.54Å; A15-L99 WeakPolarHBondContact CA-O 3.5Å; A15-L99 WeakPolarHBondContact CB-O 3.35Å; V16-L99 PolarHBondContact N-O 3.12Å; V16-L99 PolarHBondContact O-N 3.28Å; V16-L99 VanDerWaalsContact O-N 3.12Å; Y39-L99 HydrophobicContact CE1-CD2 4.48Å; I51-L99 HydrophobicContact CG2-CD2 3.95Å; G70-L99 CarbonylContact O-C 3.51Å; G70-L99 WeakPolarHBondContact O-CA 3.5Å; H79-L99 HydrophobicContact CB-CB 4.3Å; H79-L99 HydrophobicContact CB-CD1 4.33Å; H79-L99 PolarHBondContact CD2-O 2.96Å; I83-L99 HydrophobicContact CD1-CD1 3.9Å; I83-L99 HydrophobicContact CG1-CD1 4.13Å; L92-L99 HydrophobicContact CD1-CD1 3.6Å
100	L	98.9	Very high	97.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.8	-179.6	178.2	64.6	0	0	0	110.8	F11 A15 I24 I69 G70 C71 S72 H79	F11-L100 HydrophobicContact CD2-CD2 3.76Å; F11-L100 HydrophobicContact CE2-CD2 4.04Å; F11-L100 HydrophobicContact CG-CD2 4.44Å; A15-L100 HydrophobicContact CB-CB 4.43Å; A15-L100 HydrophobicContact CB-CD1 4.37Å; I24-L100 HydrophobicContact CD1-CB 4.42Å; I24-L100 HydrophobicContact CD1-CD1 4.22Å; I24-L100 HydrophobicContact CG1-CD1 3.99Å; I69-L100 HydrophobicContact CG2-CB 3.99Å; G70-L100 PolarHBondContact O-N 2.75Å; C71-L100 WeakPolarHBondContact CA-O 3.45Å; C71-L100 HydrophobicContact CB-CB 4.23Å; S72-L100 PolarHBondContact N-O 2.91Å; H79-L100 PolarHBondContact NE2-O 3.21Å
101	A	98.8	Very high	97.8	Very high	13 Å²	13	38.4 Å²	38.4	11%	0.107	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	106.6	175.2	0	0	0	0	0	110.8	T14 D74 Q76 K103	T14-A101 WeakPolarHBondContact O-CB 3.46Å; T14-A101 PolarHBondContact O-N 2.81Å; D74-A101 WeakPolarHBondContact O-CB 3.37Å; Q76-A101 HydrophobicContact CB-CB 4.13Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 3.31Å
102	D	98.8	Very high	97.9	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	22%	0.221	C	C	.	.			trans	-93.2	61.1	172.4	-178	27.1	0	0	0	111.4	S72 T73 S104 M105 K106 V107 A108	S72-D102 WeakPolarHBondContact O-CB 3.28Å; S72-D102 PolarHBondContact O-N 3.18Å; T73-D102 WeakPolarHBondContact CA-O 3.48Å; D102-S104 PolarHBondContact O-N 2.75Å; D102-S104 VanDerWaalsContact O-N 3.08Å; D102-S104 PolarHBondContact OD1-OG 2.87Å; D102-M105 PolarHBondContact O-N 2.93Å; D102-M105 PolarHBondContact OD1-N 3.19Å; D102-M105 WeakPolarHBondContact OD2-CA 3.15Å; D102-K106 PolarHBondContact OD1-N 2.96Å; D102-K106 PolarHBondContact OD2-N 3.49Å; D102-V107 HydrophobicContact CB-CB 4.06Å; D102-V107 HydrophobicContact CB-CG2 4.25Å; D102-V107 VanDerWaalsContact CG-N 3.33Å; D102-V107 PolarHBondContact OD1-N 3.18Å; D102-V107 VanDerWaalsContact OD1-N 3.15Å; D102-V107 WeakPolarHBondContact OD2-CA 3.48Å; D102-V107 WeakPolarHBondContact OD2-CB 3.34Å; D102-V107 PolarHBondContact OD2-N 3.37Å; D102-A108 WeakPolarHBondContact OD2-CB 3.34Å; D102-A108 PolarHBondContact OD2-N 3.08Å
103	K	97.8	Very high	97.9	Very high	141 Å²	141	40 Å²	40	61%	0.613	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.3	-175	-166.2	53.6	176.2	173.1	0	113.8	T73 A101 M105	T73-K103 WeakPolarHBondContact O-CD 3.41Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 3.31Å; K103-M105 VanDerWaalsContact C-N 3.31Å
104	S	97.6	Very high	98.1	Very high	82 Å²	82	39.9 Å²	39.9	57%	0.573	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.4	176.2	70.6	0	0	0	0	114.1	D102 K106	D102-S104 PolarHBondContact O-N 2.75Å; D102-S104 VanDerWaalsContact O-N 3.08Å; D102-S104 PolarHBondContact OD1-OG 2.87Å; S104-K106 PolarHBondContact O-N 2.99Å; S104-K106 VanDerWaalsContact O-N 3.09Å; S104-K106 WeakPolarHBondContact OG-CB 3.35Å; S104-K106 PolarHBondContact OG-N 3.36Å
105	M	98.5	Very high	98.4	Very high	64 Å²	64	36.6 Å²	36.6	32%	0.315	19%	0.191	S	C	.	.	S	Bend	trans	59.9	10.1	-170.5	-44.8	172.3	177.8	0	0	113.7	T73 D102 K103 R109 L114	T73-M105 HydrophobicContact CG2-CB 4.2Å; T73-M105 HydrophobicContact CG2-CG 3.81Å; D102-M105 PolarHBondContact O-N 2.93Å; D102-M105 PolarHBondContact OD1-N 3.19Å; D102-M105 WeakPolarHBondContact OD2-CA 3.15Å; K103-M105 VanDerWaalsContact C-N 3.31Å; M105-R109 WeakPolarHBondContact O-CB 3.29Å; M105-R109 PolarHBondContact O-N 3.35Å; M105-R109 PolarHBondContact O-NH1 2.85Å; M105-L114 HydrophobicContact CB-CD1 3.98Å; M105-L114 HydrophobicContact CB-CD2 3.7Å; M105-L114 HydrophobicContact CG-CD1 4.3Å; M105-L114 HydrophobicContact SD-CD1 4.32Å; M105-L114 HydrophobicContact SD-CD2 4.38Å
106	K	98.4	Very high	98.4	Very high	109 Å²	109	41.8 Å²	41.8	47%	0.474	22%	0.215	S	C	.	.	H	α-helix	trans	-69.8	-43.3	-175.7	-175.9	-175.7	-178.6	-58.4	0	110.3	D102 S104 R109 D110	D102-K106 PolarHBondContact OD1-N 2.96Å; D102-K106 PolarHBondContact OD2-N 3.49Å; S104-K106 PolarHBondContact O-N 2.99Å; S104-K106 VanDerWaalsContact O-N 3.09Å; S104-K106 WeakPolarHBondContact OG-CB 3.35Å; S104-K106 PolarHBondContact OG-N 3.36Å; K106-R109 PolarHBondContact O-N 2.73Å; K106-D110 IonicContact NZ-OD1 3.21Å; K106-D110 IonicContact NZ-OD2 2.77Å; K106-D110 PolarHBondContact NZ-OD2 3.4Å; K106-D110 WeakPolarHBondContact O-CB 3.33Å; K106-D110 PolarHBondContact O-N 3.1Å
107	V	98.8	Very high	98.4	Very high	10 Å²	10	47.6 Å²	47.6	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-47.4	-177.4	-171.7	0	0	0	0	109.9	F11 F38 D102 R109 D110 Y111	F11-V107 HydrophobicContact CB-CB 4.43Å; F11-V107 HydrophobicContact CB-CG1 3.65Å; F11-V107 HydrophobicContact CB-CG2 3.88Å; F11-V107 HydrophobicContact CG-CG1 4.24Å; F38-V107 HydrophobicContact CE1-CB 4.47Å; F38-V107 HydrophobicContact CE1-CG1 4.08Å; F38-V107 HydrophobicContact CZ-CG1 3.87Å; D102-V107 HydrophobicContact CB-CB 4.06Å; D102-V107 HydrophobicContact CB-CG2 4.25Å; D102-V107 VanDerWaalsContact CG-N 3.33Å; D102-V107 PolarHBondContact OD1-N 3.18Å; D102-V107 VanDerWaalsContact OD1-N 3.15Å; D102-V107 WeakPolarHBondContact OD2-CA 3.48Å; D102-V107 WeakPolarHBondContact OD2-CB 3.34Å; D102-V107 PolarHBondContact OD2-N 3.37Å; V107-R109 VanDerWaalsContact C-N 3.31Å; V107-R109 PolarHBondContact O-N 2.83Å; V107-D110 PolarHBondContact O-N 2.82Å; V107-Y111 HydrophobicContact CG1-CD2 4.06Å; V107-Y111 HydrophobicContact CG1-CE2 4.18Å; V107-Y111 WeakPolarHBondContact O-CB 3.38Å; V107-Y111 VanDerWaalsContact O-CD2 3.29Å; V107-Y111 WeakPolarHBondContact O-CD2 3.43Å; V107-Y111 PolarHBondContact O-N 2.73Å
108	A	98.7	Very high	98.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-40.5	175.6	0	0	0	0	0	112.2	F38 D102 Y111 G112 V113 L114 P121	F38-A108 HydrophobicContact CD1-CB 4.16Å; F38-A108 HydrophobicContact CE1-CB 3.95Å; D102-A108 WeakPolarHBondContact OD2-CB 3.34Å; D102-A108 PolarHBondContact OD2-N 3.08Å; A108-Y111 CarbonylContact O-C 3.45Å; A108-G112 PolarHBondContact O-N 2.88Å; A108-V113 HydrophobicContact CB-CG2 4.29Å; A108-V113 WeakPolarHBondContact O-CG2 3.38Å; A108-V113 PolarHBondContact O-N 2.96Å; A108-L114 HydrophobicContact CB-CB 3.96Å; A108-L114 HydrophobicContact CB-CD1 4.17Å; A108-L114 PolarHBondContact O-N 2.82Å; A108-P121 HydrophobicContact CB-CB 4.1Å
109	R	98.5	Very high	98.3	Very high	101 Å²	101	50.9 Å²	50.9	38%	0.381	26%	0.263	S	S	.	.	H	α-helix	trans	-67.5	-45.2	176.5	-173.9	178.3	-67.3	102.2	-2.4	112.6	M105 K106 V107 Y111 G112 L114 E116	M105-R109 WeakPolarHBondContact O-CB 3.29Å; M105-R109 PolarHBondContact O-N 3.35Å; M105-R109 PolarHBondContact O-NH1 2.85Å; K106-R109 PolarHBondContact O-N 2.73Å; V107-R109 VanDerWaalsContact C-N 3.31Å; V107-R109 PolarHBondContact O-N 2.83Å; R109-Y111 VanDerWaalsContact C-N 3.26Å; R109-Y111 PolarHBondContact O-N 2.83Å; R109-G112 WeakPolarHBondContact O-CA 3.39Å; R109-G112 PolarHBondContact O-N 3.47Å; R109-L114 HydrophobicContact CB-CB 4.38Å; R109-L114 HydrophobicContact CB-CD2 4.04Å; R109-L114 VanDerWaalsContact CZ-CD2 3.48Å; R109-E116 WeakPolarHBondContact CD-OE1 3.49Å; R109-E116 IonicContact CZ-OE1 3.4Å; R109-E116 IonicContact CZ-OE2 3.01Å; R109-E116 IonicContact NE-OE1 3.07Å; R109-E116 PolarHBondContact NE-OE1 3.4Å; R109-E116 IonicContact NE-OE2 2.89Å; R109-E116 PolarHBondContact NE-OE2 2.73Å; R109-E116 IonicContact NH2-OE1 3.94Å; R109-E116 IonicContact NH2-OE2 3.94Å; R109-E116 PolarHBondContact NH2-OE2 2.79Å
110	D	98.7	Very high	98.2	Very high	61 Å²	61	52.2 Å²	52.2	33%	0.326	27%	0.27	S	S	.	.	H	α-helix	trans	-63.2	-35.6	178.7	-72.4	-13.1	0	0	0	111.7	P9 K106 V107 G112	P9-D110 HydrophobicContact CB-CB 3.95Å; K106-D110 IonicContact NZ-OD1 3.21Å; K106-D110 IonicContact NZ-OD2 2.77Å; K106-D110 PolarHBondContact NZ-OD2 3.4Å; K106-D110 WeakPolarHBondContact O-CB 3.33Å; K106-D110 PolarHBondContact O-N 3.1Å; V107-D110 PolarHBondContact O-N 2.82Å; D110-G112 PolarHBondContact O-N 2.81Å
111	Y	98.8	Very high	98.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.1	172.3	-80.2	-99.2	0	0	0	113.2	P2 P9 F11 L36 F38 V107 A108 R109 V113 F126 I128	P2-Y111 VanDerWaalsContact CD-C 3.49Å; P2-Y111 WeakPolarHBondContact CD-O 3.5Å; P2-Y111 HydrophobicContact CG-CD1 4.28Å; P9-Y111 HydrophobicContact CB-CD2 4.15Å; P9-Y111 HydrophobicContact CB-CE2 3.87Å; P9-Y111 HydrophobicContact CG-CD2 4.27Å; P9-Y111 HydrophobicContact CG-CE2 4.21Å; P9-Y111 WeakPolarHBondContact O-CE2 3.43Å; P9-Y111 PolarHBondContact O-OH 2.85Å; P9-Y111 VanDerWaalsContact O-OH 3.14Å; F11-Y111 HydrophobicContact CD1-CE2 4.12Å; L36-Y111 HydrophobicContact CD2-CD1 4.22Å; L36-Y111 HydrophobicContact CD2-CD2 4.38Å; L36-Y111 HydrophobicContact CD2-CE1 3.68Å; L36-Y111 HydrophobicContact CD2-CE2 3.87Å; L36-Y111 VanDerWaalsContact CD2-CZ 3.46Å; F38-Y111 HydrophobicContact CE2-CD1 4.19Å; F38-Y111 HydrophobicContact CE2-CD2 4.44Å; F38-Y111 AromaticContact CE2-CG 3.9Å; F38-Y111 HydrophobicContact CE2-CG 3.9Å; F38-Y111 HydrophobicContact CZ-CD2 4.05Å; F38-Y111 AromaticContact CZ-CG 3.9Å; F38-Y111 HydrophobicContact CZ-CG 3.9Å; V107-Y111 HydrophobicContact CG1-CD2 4.06Å; V107-Y111 HydrophobicContact CG1-CE2 4.18Å; V107-Y111 WeakPolarHBondContact O-CB 3.38Å; V107-Y111 VanDerWaalsContact O-CD2 3.29Å; V107-Y111 WeakPolarHBondContact O-CD2 3.43Å; V107-Y111 PolarHBondContact O-N 2.73Å; A108-Y111 CarbonylContact O-C 3.45Å; R109-Y111 VanDerWaalsContact C-N 3.26Å; R109-Y111 PolarHBondContact O-N 2.83Å; Y111-V113 VanDerWaalsContact C-N 3.3Å; Y111-V113 PolarHBondContact O-N 3.49Å; Y111-F126 HydrophobicContact CD1-CB 4.41Å; Y111-F126 AromaticContact CD1-CD1 3.72Å; Y111-F126 HydrophobicContact CD1-CD1 3.72Å; Y111-F126 AromaticContact CD1-CD2 3.6Å; Y111-F126 HydrophobicContact CD1-CD2 3.6Å; Y111-F126 AromaticContact CD1-CE1 3.8Å; Y111-F126 HydrophobicContact CD1-CE1 3.8Å; Y111-F126 AromaticContact CD1-CE2 3.68Å; Y111-F126 HydrophobicContact CD1-CE2 3.68Å; Y111-F126 AromaticContact CD1-CG 3.63Å; Y111-F126 HydrophobicContact CD1-CG 3.63Å; Y111-F126 AromaticContact CD1-CZ 3.79Å; Y111-F126 HydrophobicContact CD1-CZ 3.79Å; Y111-F126 HydrophobicContact CE1-CB 4.22Å; Y111-F126 HydrophobicContact CE1-CD1 4.21Å; Y111-F126 HydrophobicContact CE1-CD2 4.17Å; Y111-F126 AromaticContact CE1-CG 3.93Å; Y111-F126 HydrophobicContact CE1-CG 3.93Å; Y111-F126 HydrophobicContact CG-CD2 4.48Å; Y111-F126 HydrophobicContact CG-CE2 4.22Å; Y111-F126 HydrophobicContact CG-CZ 4.31Å; Y111-F126 WeakPolarHBondContact O-CZ 3.42Å; Y111-I128 HydrophobicContact CE1-CD1 4.42Å
112	G	98.4	Very high	98.1	Very high	32 Å²	32	54.9 Å²	54.9	33%	0.33	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	23.9	172.7	0	0	0	0	0	114.9	A108 R109 D110	A108-G112 PolarHBondContact O-N 2.88Å; R109-G112 WeakPolarHBondContact O-CA 3.39Å; R109-G112 PolarHBondContact O-N 3.47Å; D110-G112 PolarHBondContact O-N 2.81Å
113	V	98.6	Very high	98.1	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.012	28%	0.28	C	S	.	.			trans	-111.7	-4.8	-176.9	-66.3	0	0	0	0	113	M1 F38 A108 Y111 D115 P121 F122 F126 V139	M1-V113 HydrophobicContact SD-CG1 4.37Å; F38-V113 HydrophobicContact CB-CG2 4.25Å; F38-V113 HydrophobicContact CD1-CG2 4.05Å; F38-V113 HydrophobicContact CD2-CG2 3.81Å; F38-V113 HydrophobicContact CE1-CG2 4.31Å; F38-V113 HydrophobicContact CE2-CG2 4.09Å; F38-V113 HydrophobicContact CG-CG2 3.77Å; F38-V113 HydrophobicContact CZ-CG2 4.3Å; A108-V113 HydrophobicContact CB-CG2 4.29Å; A108-V113 WeakPolarHBondContact O-CG2 3.38Å; A108-V113 PolarHBondContact O-N 2.96Å; Y111-V113 VanDerWaalsContact C-N 3.3Å; Y111-V113 PolarHBondContact O-N 3.49Å; V113-D115 PolarHBondContact O-N 2.91Å; V113-P121 HydrophobicContact CG2-CB 4.13Å; V113-P121 CarbonylContact O-C 3.59Å; V113-P121 VanDerWaalsContact O-CA 3.24Å; V113-P121 WeakPolarHBondContact O-CA 3.31Å; V113-F122 WeakPolarHBondContact O-CD2 3.24Å; V113-F122 PolarHBondContact O-N 3.32Å; V113-F126 HydrophobicContact CG1-CE2 3.92Å; V113-F126 HydrophobicContact CG1-CZ 3.61Å; V113-V139 HydrophobicContact CG1-CG2 4.13Å
114	L	98.6	Very high	98.2	Very high	16 Å²	16	48.4 Å²	48.4	8%	0.084	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-68.2	127.5	173.8	-174.5	68	0	0	0	110.4	T73 M105 A108 R109 E116	T73-L114 HydrophobicContact CG2-CD1 4.28Å; M105-L114 HydrophobicContact CB-CD1 3.98Å; M105-L114 HydrophobicContact CB-CD2 3.7Å; M105-L114 HydrophobicContact CG-CD1 4.3Å; M105-L114 HydrophobicContact SD-CD1 4.32Å; M105-L114 HydrophobicContact SD-CD2 4.38Å; A108-L114 HydrophobicContact CB-CB 3.96Å; A108-L114 HydrophobicContact CB-CD1 4.17Å; A108-L114 PolarHBondContact O-N 2.82Å; R109-L114 HydrophobicContact CB-CB 4.38Å; R109-L114 HydrophobicContact CB-CD2 4.04Å; R109-L114 VanDerWaalsContact CZ-CD2 3.48Å; L114-E116 WeakPolarHBondContact CD2-OE2 3.32Å; L114-E116 PolarHBondContact O-N 2.66Å
115	D	97.9	Very high	98.2	Very high	39 Å²	39	44.6 Å²	44.6	21%	0.209	22%	0.224	C	C	.	.			trans	-79	109.6	159.8	177.3	4.1	0	0	0	108.6	V113 E117 T118 G119 I120 F122	V113-D115 PolarHBondContact O-N 2.91Å; D115-E117 PolarHBondContact O-N 3.24Å; D115-E117 WeakPolarHBondContact OD1-CB 3.41Å; D115-E117 PolarHBondContact OD1-N 3.13Å; D115-T118 WeakPolarHBondContact CB-OG1 3.5Å; D115-T118 PolarHBondContact O-N 3.34Å; D115-T118 VanDerWaalsContact OD2-CG2 3.24Å; D115-T118 WeakPolarHBondContact OD2-CG2 3.4Å; D115-T118 PolarHBondContact OD2-OG1 3.5Å; D115-G119 WeakPolarHBondContact O-CA 3.43Å; D115-G119 PolarHBondContact O-N 3.18Å; D115-I120 WeakPolarHBondContact CB-O 3.48Å; D115-I120 PolarHBondContact N-O 2.9Å; D115-F122 HydrophobicContact CB-CD2 4.46Å; D115-F122 HydrophobicContact CB-CE2 3.86Å; D115-F122 HydrophobicContact CB-CZ 4.2Å
116	E	97.4	Very high	98.2	Very high	122 Å²	122	41.6 Å²	41.6	57%	0.57	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.8	-176.9	-63.8	-74.9	-172.2	0	0	112.9	R109 L114	R109-E116 WeakPolarHBondContact CD-OE1 3.49Å; R109-E116 IonicContact CZ-OE1 3.4Å; R109-E116 IonicContact CZ-OE2 3.01Å; R109-E116 IonicContact NE-OE1 3.07Å; R109-E116 PolarHBondContact NE-OE1 3.4Å; R109-E116 IonicContact NE-OE2 2.89Å; R109-E116 PolarHBondContact NE-OE2 2.73Å; R109-E116 IonicContact NH2-OE1 3.94Å; R109-E116 IonicContact NH2-OE2 3.94Å; R109-E116 PolarHBondContact NH2-OE2 2.79Å; L114-E116 WeakPolarHBondContact CD2-OE2 3.32Å; L114-E116 PolarHBondContact O-N 2.66Å
117	E	97.4	Very high	98.3	Very high	183 Å²	183	36.4 Å²	36.4	86%	0.855	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-40.3	176.3	-173.9	175	172.1	0	0	111.2	D115	D115-E117 PolarHBondContact O-N 3.24Å; D115-E117 WeakPolarHBondContact OD1-CB 3.41Å; D115-E117 PolarHBondContact OD1-N 3.13Å
118	T	97	Very high	98.3	Very high	77 Å²	77	36 Å²	36	47%	0.472	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-18.5	-171.4	60.6	0	0	0	0	113.9	D115 I120	D115-T118 WeakPolarHBondContact CB-OG1 3.5Å; D115-T118 PolarHBondContact O-N 3.34Å; D115-T118 VanDerWaalsContact OD2-CG2 3.24Å; D115-T118 WeakPolarHBondContact OD2-CG2 3.4Å; D115-T118 PolarHBondContact OD2-OG1 3.5Å; T118-I120 VanDerWaalsContact C-N 3.27Å; T118-I120 PolarHBondContact O-N 2.77Å; T118-I120 WeakPolarHBondContact OG1-CG1 3.49Å
119	G	97.5	Very high	98.3	Very high	11 Å²	11	36.3 Å²	36.3	11%	0.113	19%	0.186	C	C	.	.	S	Bend	trans	74.9	13.5	-178.2	0	0	0	0	0	114.3	T73 D115	T73-G119 PolarHBondContact OG1-O 3.15Å; T73-G119 VanDerWaalsContact OG1-O 3.05Å; D115-G119 WeakPolarHBondContact O-CA 3.43Å; D115-G119 PolarHBondContact O-N 3.18Å
120	I	97.5	Very high	98.3	Very high	28 Å²	28	34.2 Å²	34.2	14%	0.144	18%	0.182	C	C	.	.			trans	-111.8	147.5	177.1	56	157.8	0	0	0	110.5	P40 L41 D115 T118 L142	P40-I120 HydrophobicContact CB-CD1 4.09Å; L41-I120 HydrophobicContact CD1-CG2 4.06Å; L41-I120 HydrophobicContact CD2-CG2 3.65Å; L41-I120 HydrophobicContact CG-CG2 3.68Å; D115-I120 WeakPolarHBondContact CB-O 3.48Å; D115-I120 PolarHBondContact N-O 2.9Å; T118-I120 VanDerWaalsContact C-N 3.27Å; T118-I120 PolarHBondContact O-N 2.77Å; T118-I120 WeakPolarHBondContact OG1-CG1 3.49Å; I120-L142 HydrophobicContact CD1-CD1 4.21Å; I120-L142 HydrophobicContact CD1-CD2 4.46Å
121	P	98.2	Very high	98.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-80.2	144.3	174.5	32.3	-33.9	0	0	0	111.5	F38 Y39 P40 A108 V113	F38-P121 HydrophobicContact CB-CB 3.93Å; F38-P121 HydrophobicContact CB-CG 4.17Å; F38-P121 HydrophobicContact CD1-CB 4.19Å; F38-P121 HydrophobicContact CD1-CG 4.44Å; F38-P121 HydrophobicContact CG-CB 4.39Å; Y39-P121 VanDerWaalsContact O-CG 3.29Å; Y39-P121 WeakPolarHBondContact O-CG 3.39Å; P40-P121 WeakPolarHBondContact CA-O 3.32Å; P40-P121 WeakPolarHBondContact CG-O 3.1Å; A108-P121 HydrophobicContact CB-CB 4.1Å; V113-P121 HydrophobicContact CG2-CB 4.13Å; V113-P121 CarbonylContact O-C 3.59Å; V113-P121 VanDerWaalsContact O-CA 3.24Å; V113-P121 WeakPolarHBondContact O-CA 3.31Å
122	F	98.1	Very high	98.3	Very high	69 Å²	69	40.1 Å²	40.1	30%	0.303	21%	0.206	S	C	.	.			trans	-60.8	169.1	159.2	-70.2	-74.1	0	0	0	110.9	V113 D115 G124 V139 L142	V113-F122 WeakPolarHBondContact O-CD2 3.24Å; V113-F122 PolarHBondContact O-N 3.32Å; D115-F122 HydrophobicContact CB-CD2 4.46Å; D115-F122 HydrophobicContact CB-CE2 3.86Å; D115-F122 HydrophobicContact CB-CZ 4.2Å; F122-G124 PolarHBondContact O-N 3.04Å; F122-V139 HydrophobicContact CB-CG1 3.86Å; F122-L142 HydrophobicContact CD1-CD2 4.06Å; F122-L142 HydrophobicContact CD1-CG 4.43Å
123	R	98.3	Very high	98.3	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.038	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	65	178.3	-65.7	-174.3	-169.1	-63	-20.8	111.4	P40 C47 E50 N140 L142 V144 R146	P40-R123 HydrophobicContact CG-CG 4.39Å; C47-R123 PolarHBondContact SG-NH1 3Å; E50-R123 IonicContact OE2-CZ 3.71Å; E50-R123 IonicContact OE2-NE 3.79Å; E50-R123 IonicContact OE2-NH1 2.77Å; E50-R123 PolarHBondContact OE2-NH1 3.37Å; R123-N140 HydrophobicContact CB-CB 3.95Å; R123-N140 PolarHBondContact N-O 2.87Å; R123-N140 PolarHBondContact O-N 3.49Å; R123-N140 VanDerWaalsContact O-N 3.13Å; R123-L142 VanDerWaalsContact CZ-O 3.29Å; R123-L142 PolarHBondContact NE-O 3.16Å; R123-L142 PolarHBondContact NH2-O 3.3Å; R123-V144 VanDerWaalsContact CD-O 3.32Å; R123-V144 WeakPolarHBondContact CD-O 3.36Å; R123-R146 VanDerWaalsContact C-NH1 3.3Å; R123-R146 PolarHBondContact O-NH1 3.14Å
124	G	98.5	Very high	98.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135.1	177.3	0	0	0	0	0	112.7	F37 F38 F122 T138 R146	F37-G124 CarbonylContact C-O 3.53Å; F37-G124 WeakPolarHBondContact CA-O 3.41Å; F38-G124 PolarHBondContact N-O 2.74Å; F122-G124 PolarHBondContact O-N 3.04Å; G124-T138 CarbonylContact C-O 3.47Å; G124-T138 WeakPolarHBondContact CA-O 3.4Å; G124-R146 VanDerWaalsContact C-NH1 3.32Å; G124-R146 PolarHBondContact O-NH1 2.83Å
125	L	98.9	Very high	98.3	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137	174	-179.1	152.9	0	0	0	109	V35 L36 F37 F54 I127 I137 T138 T151	V35-L125 HydrophobicContact CG1-CD1 4.04Å; V35-L125 HydrophobicContact CG1-CD2 4.33Å; V35-L125 HydrophobicContact CG1-CG 4.05Å; L36-L125 WeakPolarHBondContact O-CA 3.4Å; F37-L125 HydrophobicContact CB-CB 4.16Å; F37-L125 HydrophobicContact CB-CD1 4.1Å; F37-L125 HydrophobicContact CB-CG 4.09Å; F54-L125 HydrophobicContact CE2-CD1 4.27Å; F54-L125 HydrophobicContact CZ-CD1 3.66Å; L125-I127 HydrophobicContact CD2-CG1 4.07Å; L125-I137 WeakPolarHBondContact O-CA 3.32Å; L125-T138 PolarHBondContact N-O 3.02Å; L125-T138 PolarHBondContact O-N 2.85Å; L125-T151 HydrophobicContact CD1-CG2 3.97Å; L125-T151 WeakPolarHBondContact CD1-OG1 3.41Å; L125-T151 HydrophobicContact CD2-CG2 4.12Å
126	F	98.9	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.7	-174.3	-59.1	-89.1	0	0	0	109.5	M1 P2 V35 L36 F38 Y111 V113 L134 Q136 I137	M1-F126 HydrophobicContact CE-CE1 4.22Å; M1-F126 HydrophobicContact CE-CZ 4.32Å; P2-F126 HydrophobicContact CG-CD1 4.21Å; P2-F126 HydrophobicContact CG-CE1 3.69Å; V35-F126 WeakPolarHBondContact CA-O 3.33Å; L36-F126 PolarHBondContact N-O 3.34Å; L36-F126 PolarHBondContact O-N 2.98Å; F38-F126 HydrophobicContact CD2-CD2 4.04Å; F38-F126 AromaticContact CD2-CE2 3.69Å; F38-F126 HydrophobicContact CD2-CE2 3.69Å; F38-F126 AromaticContact CE2-CD2 3.82Å; F38-F126 HydrophobicContact CE2-CD2 3.82Å; F38-F126 AromaticContact CE2-CE2 3.58Å; F38-F126 HydrophobicContact CE2-CE2 3.58Å; Y111-F126 HydrophobicContact CD1-CB 4.41Å; Y111-F126 AromaticContact CD1-CD1 3.72Å; Y111-F126 HydrophobicContact CD1-CD1 3.72Å; Y111-F126 AromaticContact CD1-CD2 3.6Å; Y111-F126 HydrophobicContact CD1-CD2 3.6Å; Y111-F126 AromaticContact CD1-CE1 3.8Å; Y111-F126 HydrophobicContact CD1-CE1 3.8Å; Y111-F126 AromaticContact CD1-CE2 3.68Å; Y111-F126 HydrophobicContact CD1-CE2 3.68Å; Y111-F126 AromaticContact CD1-CG 3.63Å; Y111-F126 HydrophobicContact CD1-CG 3.63Å; Y111-F126 AromaticContact CD1-CZ 3.79Å; Y111-F126 HydrophobicContact CD1-CZ 3.79Å; Y111-F126 HydrophobicContact CE1-CB 4.22Å; Y111-F126 HydrophobicContact CE1-CD1 4.21Å; Y111-F126 HydrophobicContact CE1-CD2 4.17Å; Y111-F126 AromaticContact CE1-CG 3.93Å; Y111-F126 HydrophobicContact CE1-CG 3.93Å; Y111-F126 HydrophobicContact CG-CD2 4.48Å; Y111-F126 HydrophobicContact CG-CE2 4.22Å; Y111-F126 HydrophobicContact CG-CZ 4.31Å; Y111-F126 WeakPolarHBondContact O-CZ 3.42Å; V113-F126 HydrophobicContact CG1-CE2 3.92Å; V113-F126 HydrophobicContact CG1-CZ 3.61Å; F126-L134 HydrophobicContact CB-CD1 3.79Å; F126-L134 HydrophobicContact CD1-CD1 3.83Å; F126-L134 HydrophobicContact CD1-CD2 4.22Å; F126-L134 HydrophobicContact CG-CD1 4.3Å; F126-Q136 WeakPolarHBondContact CA-O 3.07Å; F126-I137 HydrophobicContact CD1-CB 4.47Å; F126-I137 HydrophobicContact CD1-CG1 3.9Å; F126-I137 HydrophobicContact CD1-CG2 4.32Å; F126-I137 HydrophobicContact CE1-CB 4.43Å; F126-I137 HydrophobicContact CE1-CD1 4.34Å; F126-I137 HydrophobicContact CE1-CG1 4Å; F126-I137 HydrophobicContact CE1-CG2 3.86Å
127	I	98.9	Very high	98.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.1	170.3	-55.1	175.9	0	0	0	108.2	Y33 V35 L125 R135 Q136 L154 V155 F158	Y33-I127 HydrophobicContact CD1-CG2 3.9Å; Y33-I127 HydrophobicContact CE1-CG2 4.15Å; V35-I127 HydrophobicContact CG2-CG1 4.5Å; L125-I127 HydrophobicContact CD2-CG1 4.07Å; I127-R135 PolarHBondContact O-N 3.31Å; I127-Q136 HydrophobicContact CB-CB 3.9Å; I127-Q136 HydrophobicContact CD1-CB 3.97Å; I127-Q136 HydrophobicContact CD1-CG 4.24Å; I127-Q136 HydrophobicContact CG1-CB 4.05Å; I127-Q136 PolarHBondContact N-O 3.36Å; I127-Q136 VanDerWaalsContact N-O 3.12Å; I127-Q136 PolarHBondContact O-N 2.8Å; I127-L154 HydrophobicContact CD1-CB 3.52Å; I127-L154 HydrophobicContact CD1-CD1 4.31Å; I127-V155 HydrophobicContact CD1-CG2 4.04Å; I127-V155 HydrophobicContact CG1-CG2 4.41Å; I127-V155 HydrophobicContact CG2-CG2 4.03Å; I127-F158 HydrophobicContact CG2-CD2 4.46Å
128	I	98.9	Very high	98.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.4	-177.7	-56.3	167.9	0	0	0	107.7	A8 L26 Y33 L34 Y111 Q132 N133 L134	A8-I128 HydrophobicContact CB-CD1 3.74Å; A8-I128 HydrophobicContact CB-CG1 3.9Å; A8-I128 HydrophobicContact CB-CG2 4.05Å; L26-I128 HydrophobicContact CD1-CD1 3.98Å; L26-I128 HydrophobicContact CD1-CG2 4.45Å; Y33-I128 CarbonylContact C-O 3.55Å; Y33-I128 WeakPolarHBondContact CA-O 3.43Å; L34-I128 HydrophobicContact CB-CB 4.29Å; L34-I128 HydrophobicContact CD2-CD1 4.18Å; L34-I128 PolarHBondContact N-O 2.99Å; L34-I128 PolarHBondContact O-N 3.48Å; Y111-I128 HydrophobicContact CE1-CD1 4.42Å; I128-Q132 HydrophobicContact CG2-CB 4.49Å; I128-N133 WeakPolarHBondContact CA-O 3.32Å; I128-L134 HydrophobicContact CG1-CD1 4.13Å
129	D	98.8	Very high	98.5	Very high	7 Å²	7	31 Å²	31	4%	0.037	16%	0.155	C	C	.	.			trans	-79.6	175.9	-179	70.1	19	0	0	0	113.7	Y33 K131 Q132 N133 R135	Y33-D129 HydrophobicContact CE1-CB 4.01Å; Y33-D129 HydrophobicContact CE2-CB 3.92Å; D129-K131 PolarHBondContact O-N 3.26Å; D129-K131 VanDerWaalsContact O-N 3.15Å; D129-K131 VanDerWaalsContact OD1-C 3.25Å; D129-K131 WeakPolarHBondContact OD1-CA 3.12Å; D129-K131 WeakPolarHBondContact OD1-CB 3.39Å; D129-K131 PolarHBondContact OD1-N 2.99Å; D129-Q132 WeakPolarHBondContact O-CA 3.19Å; D129-Q132 PolarHBondContact O-N 3.46Å; D129-Q132 PolarHBondContact OD1-N 3.05Å; D129-N133 PolarHBondContact N-O 2.87Å; D129-N133 PolarHBondContact OD1-N 2.74Å; D129-R135 HydrophobicContact CB-CG 3.78Å; D129-R135 WeakPolarHBondContact OD2-CD 3.3Å; D129-R135 IonicContact OD2-CZ 3.76Å; D129-R135 IonicContact OD2-NE 3.35Å; D129-R135 IonicContact OD2-NH1 2.82Å; D129-R135 PolarHBondContact OD2-NH1 3.37Å
130	D	98.6	Very high	98.5	Very high	57 Å²	57	32.3 Å²	32.3	31%	0.305	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.3	179.2	68.7	-41.4	0	0	0	114.1	G31 K32 Y33	G31-D130 PolarHBondContact N-O 2.99Å; K32-D130 WeakPolarHBondContact O-CA 3.32Å; Y33-D130 HydrophobicContact CD2-CB 4.44Å
131	K	98.5	Very high	98.4	Very high	145 Å²	145	35.7 Å²	35.7	63%	0.63	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	6.8	174.4	-60.1	167.9	-167.6	166.4	0	112.4	D129 N133	D129-K131 PolarHBondContact O-N 3.26Å; D129-K131 VanDerWaalsContact O-N 3.15Å; D129-K131 VanDerWaalsContact OD1-C 3.25Å; D129-K131 WeakPolarHBondContact OD1-CA 3.12Å; D129-K131 WeakPolarHBondContact OD1-CB 3.39Å; D129-K131 PolarHBondContact OD1-N 2.99Å; K131-N133 VanDerWaalsContact C-N 3.3Å; K131-N133 PolarHBondContact O-N 3.12Å
132	Q	98.6	Very high	98.2	Very high	40 Å²	40	38.5 Å²	38.5	19%	0.187	19%	0.192	C	C	.	.	S	Bend	trans	67.7	22.2	179.3	-44.5	-169.8	-85	0	0	114.8	P7 A8 L26 S27 K30 I128 D129	P7-Q132 WeakPolarHBondContact CA-O 3.39Å; A8-Q132 PolarHBondContact N-O 3.31Å; L26-Q132 PolarHBondContact O-NE2 3.34Å; S27-Q132 VanDerWaalsContact CA-NE2 3.35Å; K30-Q132 HydrophobicContact CB-CG 4.41Å; K30-Q132 HydrophobicContact CG-CG 4.39Å; I128-Q132 HydrophobicContact CG2-CB 4.49Å; D129-Q132 WeakPolarHBondContact O-CA 3.19Å; D129-Q132 PolarHBondContact O-N 3.46Å; D129-Q132 PolarHBondContact OD1-N 3.05Å
133	N	98.7	Very high	98.1	Very high	42 Å²	42	39.7 Å²	39.7	23%	0.225	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-90.2	144.1	173	-57.3	-63.1	0	0	0	110.9	K6 I128 D129 K131 R135	K6-N133 CarbonylContact O-C 3.58Å; K6-N133 VanDerWaalsContact O-CA 3.31Å; K6-N133 WeakPolarHBondContact O-CA 3.15Å; I128-N133 WeakPolarHBondContact CA-O 3.32Å; D129-N133 PolarHBondContact N-O 2.87Å; D129-N133 PolarHBondContact OD1-N 2.74Å; K131-N133 VanDerWaalsContact C-N 3.3Å; K131-N133 PolarHBondContact O-N 3.12Å; N133-R135 PolarHBondContact O-N 3.37Å
134	L	98.8	Very high	97.9	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.6	177.2	-175.3	64.6	0	0	0	110.9	P2 L4 Q5 K6 A8 F126 I128 I137	P2-L134 HydrophobicContact CB-CD2 3.79Å; P2-L134 HydrophobicContact CG-CD2 3.57Å; L4-L134 HydrophobicContact CD2-CD2 4.48Å; L4-L134 HydrophobicContact CD2-CG 4.2Å; Q5-L134 PolarHBondContact N-O 2.94Å; K6-L134 PolarHBondContact O-N 2.86Å; A8-L134 HydrophobicContact CB-CB 4.37Å; F126-L134 HydrophobicContact CB-CD1 3.79Å; F126-L134 HydrophobicContact CD1-CD1 3.83Å; F126-L134 HydrophobicContact CD1-CD2 4.22Å; F126-L134 HydrophobicContact CG-CD1 4.3Å; I128-L134 HydrophobicContact CG1-CD1 4.13Å; L134-I137 HydrophobicContact CD1-CG1 4.49Å; L134-I137 HydrophobicContact CD2-CD1 3.73Å; L134-I137 HydrophobicContact CD2-CG1 3.81Å; L134-I137 HydrophobicContact CG-CG1 4.29Å
135	R	98.7	Very high	97.8	Very high	53 Å²	53	45 Å²	45	20%	0.2	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-28.9	-175.6	-54.5	-57	-73.2	-84.1	-7.8	113.5	Y33 I127 D129 N133 F158 D162	Y33-R135 PolarHBondContact OH-NH1 3.42Å; I127-R135 PolarHBondContact O-N 3.31Å; D129-R135 HydrophobicContact CB-CG 3.78Å; D129-R135 WeakPolarHBondContact OD2-CD 3.3Å; D129-R135 IonicContact OD2-CZ 3.76Å; D129-R135 IonicContact OD2-NE 3.35Å; D129-R135 IonicContact OD2-NH1 2.82Å; D129-R135 PolarHBondContact OD2-NH1 3.37Å; N133-R135 PolarHBondContact O-N 3.37Å; R135-F158 HydrophobicContact CB-CD1 4.14Å; R135-F158 HydrophobicContact CB-CD2 4.17Å; R135-F158 HydrophobicContact CB-CE1 4Å; R135-F158 HydrophobicContact CB-CE2 4.07Å; R135-F158 HydrophobicContact CB-CG 4.22Å; R135-F158 HydrophobicContact CB-CZ 3.97Å; R135-F158 VanDerWaalsContact O-CZ 3.29Å; R135-F158 WeakPolarHBondContact O-CZ 3.44Å; R135-D162 IonicContact CZ-OD1 3.88Å; R135-D162 IonicContact CZ-OD2 2.6Å; R135-D162 IonicContact NH1-OD1 2.87Å; R135-D162 PolarHBondContact NH1-OD1 3.22Å; R135-D162 IonicContact NH1-OD2 3.77Å; R135-D162 PolarHBondContact NH1-OD2 2.82Å; R135-D162 IonicContact NH2-OD1 2.78Å; R135-D162 PolarHBondContact NH2-OD1 3.32Å; R135-D162 IonicContact NH2-OD2 3.96Å
136	Q	98.8	Very high	97.8	Very high	28 Å²	28	46.3 Å²	46.3	13%	0.131	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	148.1	-174.3	-164.2	-83	-28.1	0	0	111.4	F126 I127 T138 L154 F158	F126-Q136 WeakPolarHBondContact CA-O 3.07Å; I127-Q136 HydrophobicContact CB-CB 3.9Å; I127-Q136 HydrophobicContact CD1-CB 3.97Å; I127-Q136 HydrophobicContact CD1-CG 4.24Å; I127-Q136 HydrophobicContact CG1-CB 4.05Å; I127-Q136 PolarHBondContact N-O 3.36Å; I127-Q136 VanDerWaalsContact N-O 3.12Å; I127-Q136 PolarHBondContact O-N 2.8Å; Q136-T138 PolarHBondContact NE2-OG1 3.23Å; Q136-L154 HydrophobicContact CG-CD1 4.14Å; Q136-F158 HydrophobicContact CB-CE2 3.7Å; Q136-F158 HydrophobicContact CB-CZ 4.06Å; Q136-F158 HydrophobicContact CG-CE2 4.18Å
137	I	98.7	Very high	97.7	Very high	48 Å²	48	49.1 Å²	49.1	25%	0.246	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	125.5	177.8	-57.6	177	0	0	0	108.1	M1 P2 L4 L125 F126 L134 V139	M1-I137 HydrophobicContact CE-CD1 4.3Å; M1-I137 HydrophobicContact CE-CG2 3.27Å; P2-I137 HydrophobicContact CG-CD1 4.39Å; P2-I137 WeakPolarHBondContact O-CD1 3.2Å; L4-I137 HydrophobicContact CD2-CD1 4.1Å; L4-I137 HydrophobicContact CD2-CG1 3.93Å; L4-I137 HydrophobicContact CG-CD1 4.45Å; L125-I137 WeakPolarHBondContact O-CA 3.32Å; F126-I137 HydrophobicContact CD1-CB 4.47Å; F126-I137 HydrophobicContact CD1-CG1 3.9Å; F126-I137 HydrophobicContact CD1-CG2 4.32Å; F126-I137 HydrophobicContact CE1-CB 4.43Å; F126-I137 HydrophobicContact CE1-CD1 4.34Å; F126-I137 HydrophobicContact CE1-CG1 4Å; F126-I137 HydrophobicContact CE1-CG2 3.86Å; L134-I137 HydrophobicContact CD1-CG1 4.49Å; L134-I137 HydrophobicContact CD2-CD1 3.73Å; L134-I137 HydrophobicContact CD2-CG1 3.81Å; L134-I137 HydrophobicContact CG-CG1 4.29Å; I137-V139 HydrophobicContact CG2-CG2 3.99Å
138	T	98.6	Very high	97.7	Very high	44 Å²	44	50.1 Å²	50.1	27%	0.27	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.8	164.2	-61.8	0	0	0	0	108.2	G124 L125 Q136 N140	G124-T138 CarbonylContact C-O 3.47Å; G124-T138 WeakPolarHBondContact CA-O 3.4Å; L125-T138 PolarHBondContact N-O 3.02Å; L125-T138 PolarHBondContact O-N 2.85Å; Q136-T138 PolarHBondContact NE2-OG1 3.23Å; T138-N140 WeakPolarHBondContact CG2-OD1 3.32Å
139	V	98.3	Very high	97.6	Very high	64 Å²	64	57.4 Å²	57.4	39%	0.388	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	116.3	170.8	-174.5	0	0	0	0	108.2	M1 V113 F122 I137	M1-V139 HydrophobicContact CE-CG2 3.52Å; M1-V139 HydrophobicContact SD-CG2 4.5Å; V113-V139 HydrophobicContact CG1-CG2 4.13Å; F122-V139 HydrophobicContact CB-CG1 3.86Å; I137-V139 HydrophobicContact CG2-CG2 3.99Å
140	N	97.9	Very high	97.6	Very high	38 Å²	38	60.8 Å²	60.8	20%	0.203	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	149.3	171.6	-68.9	20	0	0	0	110	R123 T138 V144 G145	R123-N140 HydrophobicContact CB-CB 3.95Å; R123-N140 PolarHBondContact N-O 2.87Å; R123-N140 PolarHBondContact O-N 3.49Å; R123-N140 VanDerWaalsContact O-N 3.13Å; T138-N140 WeakPolarHBondContact CG2-OD1 3.32Å; N140-V144 WeakPolarHBondContact CB-O 3.39Å; N140-V144 PolarHBondContact ND2-O 2.74Å; N140-G145 PolarHBondContact ND2-O 2.83Å
141	D	95.2	Very high	97.7	Very high	99 Å²	99	58.4 Å²	58.4	53%	0.529	32%	0.315	S	S	.	.			trans	-64.4	162.1	161.8	-169.6	18.2	0	0	0	110.6	V144	D141-V144 PolarHBondContact O-N 2.77Å
142	L	93.9	Very high	97.7	Very high	60 Å²	60	53.1 Å²	53.1	31%	0.314	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.5	-171.8	-53.9	-177	0	0	0	115.7	P40 I120 F122 R123 V144	P40-L142 HydrophobicContact CB-CD2 4.3Å; P40-L142 HydrophobicContact CG-CD2 3.59Å; I120-L142 HydrophobicContact CD1-CD1 4.21Å; I120-L142 HydrophobicContact CD1-CD2 4.46Å; F122-L142 HydrophobicContact CD1-CD2 4.06Å; F122-L142 HydrophobicContact CD1-CG 4.43Å; R123-L142 VanDerWaalsContact CZ-O 3.29Å; R123-L142 PolarHBondContact NE-O 3.16Å; R123-L142 PolarHBondContact NH2-O 3.3Å; L142-V144 VanDerWaalsContact C-N 3.33Å; L142-V144 PolarHBondContact O-N 3.45Å
143	P	94.8	Very high	97.7	Very high	93 Å²	93	53 Å²	53	60%	0.604	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-8.2	-172.8	29.9	-32.8	0	0	0	114.5
144	V	95.8	Very high	97.7	Very high	86 Å²	86	52.3 Å²	52.3	52%	0.521	29%	0.287	S	S	.	.			trans	-117.4	113.9	-172.5	-174.8	0	0	0	0	111.9	R123 N140 D141 L142	R123-V144 VanDerWaalsContact CD-O 3.32Å; R123-V144 WeakPolarHBondContact CD-O 3.36Å; N140-V144 WeakPolarHBondContact CB-O 3.39Å; N140-V144 PolarHBondContact ND2-O 2.74Å; D141-V144 PolarHBondContact O-N 2.77Å; L142-V144 VanDerWaalsContact C-N 3.33Å; L142-V144 PolarHBondContact O-N 3.45Å
145	G	95.1	Very high	97.7	Very high	35 Å²	35	52.3 Å²	52.3	36%	0.361	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-68.1	160	174.6	0	0	0	0	0	113.9	E50 N140	E50-G145 WeakPolarHBondContact OE1-CA 3.11Å; N140-G145 PolarHBondContact ND2-O 2.83Å
146	R	98.2	Very high	97.7	Very high	30 Å²	30	52.2 Å²	52.2	11%	0.113	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-91.6	166.5	178.3	-69	160.9	-71.4	-160.7	-6.1	112.1	F38 E50 R123 G124	F38-R146 VanDerWaalsContact O-CZ 3.25Å; F38-R146 PolarHBondContact O-NH1 2.6Å; F38-R146 PolarHBondContact O-NH2 3.26Å; E50-R146 VanDerWaalsContact CD-NH2 3.33Å; E50-R146 WeakPolarHBondContact OE1-CB 3.49Å; E50-R146 IonicContact OE1-CZ 2.7Å; E50-R146 PolarHBondContact OE1-N 3.4Å; E50-R146 IonicContact OE1-NE 3.41Å; E50-R146 PolarHBondContact OE1-NE 2.9Å; E50-R146 IonicContact OE1-NH2 3.46Å; E50-R146 PolarHBondContact OE1-NH2 3.4Å; E50-R146 IonicContact OE2-CZ 3.6Å; E50-R146 IonicContact OE2-NE 2.75Å; E50-R146 IonicContact OE2-NH2 2.75Å; E50-R146 PolarHBondContact OE2-NH2 3.02Å; R123-R146 VanDerWaalsContact C-NH1 3.3Å; R123-R146 PolarHBondContact O-NH1 3.14Å; G124-R146 VanDerWaalsContact C-NH1 3.32Å; G124-R146 PolarHBondContact O-NH1 2.83Å
147	S	98.3	Very high	97.7	Very high	60 Å²	60	51.4 Å²	51.4	42%	0.42	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-101.8	121.3	175.8	174.1	0	0	0	0	111.6	E149 E150 T151	S147-E149 PolarHBondContact OG-N 2.87Å; S147-E150 PolarHBondContact OG-N 3.05Å; S147-E150 VanDerWaalsContact OG-N 3.16Å; S147-T151 PolarHBondContact O-N 3.12Å; S147-T151 PolarHBondContact O-OG1 3.14Å
148	V	98.3	Very high	97.7	Very high	20 Å²	20	51.2 Å²	51.2	12%	0.121	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-38.8	173.4	179.2	0	0	0	0	110.8	A53 F54 F61 E150 T151 L152	A53-V148 HydrophobicContact CB-CG2 3.67Å; F54-V148 HydrophobicContact CD1-CG1 4Å; F54-V148 HydrophobicContact CD1-CG2 3.98Å; F54-V148 HydrophobicContact CD2-CG2 4.02Å; F54-V148 HydrophobicContact CE1-CB 4.29Å; F54-V148 HydrophobicContact CE1-CG1 4.05Å; F54-V148 HydrophobicContact CE1-CG2 3.96Å; F54-V148 HydrophobicContact CE2-CG2 4.01Å; F54-V148 HydrophobicContact CG-CG2 3.99Å; F54-V148 HydrophobicContact CZ-CG2 3.97Å; F61-V148 HydrophobicContact CE2-CG1 3.86Å; F61-V148 HydrophobicContact CZ-CG1 4.1Å; V148-E150 PolarHBondContact O-N 2.88Å; V148-T151 WeakPolarHBondContact O-CB 3.15Å; V148-T151 PolarHBondContact O-N 3.18Å; V148-L152 PolarHBondContact O-N 2.77Å
149	E	98	Very high	97.7	Very high	156 Å²	156	51.3 Å²	51.3	73%	0.729	28%	0.282	S	S	*	.	H	α-helix	trans	-63.1	-43	178.7	-63.9	-174.8	175.2	0	0	112	S147 T151 L152 R153	S147-E149 PolarHBondContact OG-N 2.87Å; E149-T151 VanDerWaalsContact C-N 3.31Å; E149-T151 PolarHBondContact O-N 2.92Å; E149-L152 PolarHBondContact O-N 3.21Å; E149-R153 WeakPolarHBondContact O-CB 3.45Å; E149-R153 PolarHBondContact O-N 3.34Å
150	E	98.7	Very high	97.7	Very high	78 Å²	78	51 Å²	51	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-38.5	176.6	178.1	56.8	-166.8	0	0	111.1	S147 V148 R153 L154	S147-E150 PolarHBondContact OG-N 3.05Å; S147-E150 VanDerWaalsContact OG-N 3.16Å; V148-E150 PolarHBondContact O-N 2.88Å; E150-R153 PolarHBondContact O-N 2.99Å; E150-R153 IonicContact OE1-CZ 3.7Å; E150-R153 IonicContact OE1-NE 3.47Å; E150-R153 PolarHBondContact OE1-NE 2.98Å; E150-R153 IonicContact OE1-NH2 3.62Å; E150-R153 PolarHBondContact OE1-NH2 2.97Å; E150-R153 IonicContact OE2-CZ 3.66Å; E150-R153 IonicContact OE2-NE 3.47Å; E150-R153 PolarHBondContact OE2-NE 2.82Å; E150-R153 IonicContact OE2-NH2 2.78Å; E150-L154 HydrophobicContact CG-CD1 4.06Å; E150-L154 HydrophobicContact CG-CG 4.49Å; E150-L154 WeakPolarHBondContact O-CB 3.34Å; E150-L154 VanDerWaalsContact O-CG 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.43Å; E150-L154 PolarHBondContact O-N 2.69Å
151	T	98.8	Very high	97.7	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.043	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-47.1	175	-55	0	0	0	0	110.8	V35 F54 F61 L125 S147 V148 E149 R153 L154 V155	V35-T151 HydrophobicContact CG1-CG2 3.86Å; V35-T151 HydrophobicContact CG2-CG2 3.78Å; F54-T151 HydrophobicContact CE1-CG2 3.98Å; F54-T151 HydrophobicContact CZ-CG2 4.27Å; F61-T151 HydrophobicContact CE1-CG2 4.07Å; F61-T151 HydrophobicContact CZ-CG2 4.17Å; L125-T151 HydrophobicContact CD1-CG2 3.97Å; L125-T151 WeakPolarHBondContact CD1-OG1 3.41Å; L125-T151 HydrophobicContact CD2-CG2 4.12Å; S147-T151 PolarHBondContact O-N 3.12Å; S147-T151 PolarHBondContact O-OG1 3.14Å; V148-T151 WeakPolarHBondContact O-CB 3.15Å; V148-T151 PolarHBondContact O-N 3.18Å; E149-T151 VanDerWaalsContact C-N 3.31Å; E149-T151 PolarHBondContact O-N 2.92Å; T151-R153 PolarHBondContact O-N 3.17Å; T151-L154 PolarHBondContact O-N 2.76Å; T151-V155 WeakPolarHBondContact O-CG2 3.36Å; T151-V155 PolarHBondContact O-N 3.48Å
152	L	98.7	Very high	97.8	Very high	33 Å²	33	49.5 Å²	49.5	17%	0.173	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-43.8	176.9	-175.9	63.1	0	0	0	111.6	E60 F61 I64 V148 E149 L154 V155 Q156	E60-L152 HydrophobicContact CB-CD2 4.15Å; F61-L152 HydrophobicContact CD1-CD1 3.92Å; F61-L152 HydrophobicContact CE1-CB 4.08Å; F61-L152 HydrophobicContact CE1-CD1 3.92Å; F61-L152 HydrophobicContact CG-CD1 4.35Å; F61-L152 HydrophobicContact CZ-CB 4.01Å; F61-L152 HydrophobicContact CZ-CD1 4.33Å; I64-L152 HydrophobicContact CD1-CD1 3.7Å; V148-L152 PolarHBondContact O-N 2.77Å; E149-L152 PolarHBondContact O-N 3.21Å; L152-L154 VanDerWaalsContact C-N 3.34Å; L152-L154 PolarHBondContact O-N 3.1Å; L152-V155 PolarHBondContact O-N 2.89Å; L152-Q156 VanDerWaalsContact O-CG 3.31Å; L152-Q156 WeakPolarHBondContact O-CG 3.45Å; L152-Q156 PolarHBondContact O-N 3.44Å
153	R	98.7	Very high	97.9	Very high	39 Å²	39	53.9 Å²	53.9	15%	0.147	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-44.2	177.1	-169.6	-164.7	72.4	72.3	3.5	111.7	E149 E150 T151 Q156 A157 W172 K173	E149-R153 WeakPolarHBondContact O-CB 3.45Å; E149-R153 PolarHBondContact O-N 3.34Å; E150-R153 PolarHBondContact O-N 2.99Å; E150-R153 IonicContact OE1-CZ 3.7Å; E150-R153 IonicContact OE1-NE 3.47Å; E150-R153 PolarHBondContact OE1-NE 2.98Å; E150-R153 IonicContact OE1-NH2 3.62Å; E150-R153 PolarHBondContact OE1-NH2 2.97Å; E150-R153 IonicContact OE2-CZ 3.66Å; E150-R153 IonicContact OE2-NE 3.47Å; E150-R153 PolarHBondContact OE2-NE 2.82Å; E150-R153 IonicContact OE2-NH2 2.78Å; T151-R153 PolarHBondContact O-N 3.17Å; R153-Q156 PolarHBondContact O-N 3.16Å; R153-A157 WeakPolarHBondContact O-CB 3.41Å; R153-A157 PolarHBondContact O-N 2.95Å; R153-W172 WeakPolarHBondContact CD-O 3.46Å; R153-W172 WeakPolarHBondContact CG-O 3.4Å; R153-W172 PolarHBondContact NH1-O 3.36Å; R153-K173 HydrophobicContact CG-CG 4.33Å
154	L	98.9	Very high	98	Very high	27 Å²	27	55.2 Å²	55.2	14%	0.141	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-43.5	178.3	-72.8	167.2	0	0	0	111.8	I127 Q136 E150 T151 L152 Q156 A157 F158	I127-L154 HydrophobicContact CD1-CB 3.52Å; I127-L154 HydrophobicContact CD1-CD1 4.31Å; Q136-L154 HydrophobicContact CG-CD1 4.14Å; E150-L154 HydrophobicContact CG-CD1 4.06Å; E150-L154 HydrophobicContact CG-CG 4.49Å; E150-L154 WeakPolarHBondContact O-CB 3.34Å; E150-L154 VanDerWaalsContact O-CG 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.43Å; E150-L154 PolarHBondContact O-N 2.69Å; T151-L154 PolarHBondContact O-N 2.76Å; L152-L154 VanDerWaalsContact C-N 3.34Å; L152-L154 PolarHBondContact O-N 3.1Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; L154-Q156 PolarHBondContact O-N 2.84Å; L154-A157 PolarHBondContact O-N 2.67Å; L154-F158 WeakPolarHBondContact O-CD2 3.36Å; L154-F158 PolarHBondContact O-N 3.26Å
155	V	98.8	Very high	98	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-48	174.6	175.6	0	0	0	0	110.4	Y33 V35 F61 I64 C66 I127 T151 L152 A157 F158 Q159	Y33-V155 HydrophobicContact CD1-CG1 4.07Å; Y33-V155 HydrophobicContact CG-CG1 4.35Å; V35-V155 HydrophobicContact CG2-CG2 3.89Å; F61-V155 HydrophobicContact CE1-CG2 4.36Å; I64-V155 HydrophobicContact CD1-CB 4.23Å; I64-V155 HydrophobicContact CD1-CG1 3.62Å; I64-V155 HydrophobicContact CG1-CG1 4.42Å; C66-V155 HydrophobicContact CB-CG1 3.99Å; I127-V155 HydrophobicContact CD1-CG2 4.04Å; I127-V155 HydrophobicContact CG1-CG2 4.41Å; I127-V155 HydrophobicContact CG2-CG2 4.03Å; T151-V155 WeakPolarHBondContact O-CG2 3.36Å; T151-V155 PolarHBondContact O-N 3.48Å; L152-V155 PolarHBondContact O-N 2.89Å; V155-A157 VanDerWaalsContact C-N 3.31Å; V155-A157 PolarHBondContact O-N 3.47Å; V155-F158 PolarHBondContact O-N 2.86Å; V155-Q159 WeakPolarHBondContact O-CG 3.41Å; V155-Q159 PolarHBondContact O-N 3.12Å
156	Q	98.7	Very high	97.9	Very high	51 Å²	51	55 Å²	55	24%	0.238	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-39.9	177.5	-70.9	171.1	-21.6	0	0	112.3	I64 L152 R153 L154 Y160 W172 P174	I64-Q156 HydrophobicContact CD1-CG 3.73Å; L152-Q156 VanDerWaalsContact O-CG 3.31Å; L152-Q156 WeakPolarHBondContact O-CG 3.45Å; L152-Q156 PolarHBondContact O-N 3.44Å; R153-Q156 PolarHBondContact O-N 3.16Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; L154-Q156 PolarHBondContact O-N 2.84Å; Q156-Y160 WeakPolarHBondContact O-CB 3.33Å; Q156-Y160 PolarHBondContact O-N 2.79Å; Q156-W172 HydrophobicContact CB-CZ3 4.24Å; Q156-P174 HydrophobicContact CB-CG 4.25Å; Q156-P174 HydrophobicContact CG-CG 4.39Å
157	A	98.7	Very high	97.8	Very high	11 Å²	11	56.1 Å²	56.1	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-48.6	178	0	0	0	0	0	111.6	R153 L154 V155 Q159 Y160 T161 C168 W172	R153-A157 WeakPolarHBondContact O-CB 3.41Å; R153-A157 PolarHBondContact O-N 2.95Å; L154-A157 PolarHBondContact O-N 2.67Å; V155-A157 VanDerWaalsContact C-N 3.31Å; V155-A157 PolarHBondContact O-N 3.47Å; A157-Q159 VanDerWaalsContact C-N 3.34Å; A157-Q159 PolarHBondContact O-N 2.65Å; A157-Y160 WeakPolarHBondContact O-CB 3.35Å; A157-Y160 PolarHBondContact O-N 3.48Å; A157-Y160 VanDerWaalsContact O-N 3.15Å; A157-T161 WeakPolarHBondContact O-CG2 3.13Å; A157-T161 PolarHBondContact O-N 3.33Å; A157-C168 HydrophobicContact CB-CB 4.33Å; A157-W172 VanDerWaalsContact CA-CZ3 3.45Å; A157-W172 HydrophobicContact CB-CE3 3.74Å; A157-W172 HydrophobicContact CB-CZ3 3.85Å
158	F	98.7	Very high	97.8	Very high	44 Å²	44	54.9 Å²	54.9	19%	0.193	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-41.7	177.8	-74.7	-63	0	0	0	112.4	Y33 I127 R135 Q136 L154 V155 Y160 T161 D162	Y33-F158 HydrophobicContact CE1-CB 3.85Å; Y33-F158 WeakPolarHBondContact OH-CB 3.48Å; I127-F158 HydrophobicContact CG2-CD2 4.46Å; R135-F158 HydrophobicContact CB-CD1 4.14Å; R135-F158 HydrophobicContact CB-CD2 4.17Å; R135-F158 HydrophobicContact CB-CE1 4Å; R135-F158 HydrophobicContact CB-CE2 4.07Å; R135-F158 HydrophobicContact CB-CG 4.22Å; R135-F158 HydrophobicContact CB-CZ 3.97Å; R135-F158 VanDerWaalsContact O-CZ 3.29Å; R135-F158 WeakPolarHBondContact O-CZ 3.44Å; Q136-F158 HydrophobicContact CB-CE2 3.7Å; Q136-F158 HydrophobicContact CB-CZ 4.06Å; Q136-F158 HydrophobicContact CG-CE2 4.18Å; L154-F158 WeakPolarHBondContact O-CD2 3.36Å; L154-F158 PolarHBondContact O-N 3.26Å; V155-F158 PolarHBondContact O-N 2.86Å; F158-Y160 VanDerWaalsContact C-N 3.3Å; F158-Y160 PolarHBondContact O-N 3.46Å; F158-T161 PolarHBondContact O-N 3.14Å; F158-T161 PolarHBondContact O-OG1 2.91Å; F158-D162 WeakPolarHBondContact O-CB 3.32Å; F158-D162 VanDerWaalsContact O-CG 3.24Å; F158-D162 PolarHBondContact O-N 3.46Å
159	Q	98.6	Very high	97.7	Very high	47 Å²	47	55.4 Å²	55.4	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-37.2	174.9	-72.5	-177.7	-7.9	0	0	112.6	Y33 I64 V155 A157 K163	Y33-Q159 HydrophobicContact CD2-CG 3.93Å; Y33-Q159 HydrophobicContact CE1-CG 4.38Å; Y33-Q159 HydrophobicContact CE2-CG 3.71Å; Y33-Q159 HydrophobicContact CG-CG 4.36Å; I64-Q159 PolarHBondContact O-NE2 3.35Å; I64-Q159 PolarHBondContact O-OE1 3.28Å; V155-Q159 WeakPolarHBondContact O-CG 3.41Å; V155-Q159 PolarHBondContact O-N 3.12Å; A157-Q159 VanDerWaalsContact C-N 3.34Å; A157-Q159 PolarHBondContact O-N 2.65Å; Q159-K163 WeakPolarHBondContact O-CB 3.48Å; Q159-K163 PolarHBondContact O-N 3.24Å; Q159-K163 VanDerWaalsContact O-N 3.14Å
160	Y	98.3	Very high	97.6	Very high	57 Å²	57	52.2 Å²	52.2	22%	0.224	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-50.8	174.1	-169.6	-79.8	0	0	0	110.7	Q156 A157 F158 D162 K163 Y164 E166 W172 T178	Q156-Y160 WeakPolarHBondContact O-CB 3.33Å; Q156-Y160 PolarHBondContact O-N 2.79Å; A157-Y160 WeakPolarHBondContact O-CB 3.35Å; A157-Y160 PolarHBondContact O-N 3.48Å; A157-Y160 VanDerWaalsContact O-N 3.15Å; F158-Y160 VanDerWaalsContact C-N 3.3Å; F158-Y160 PolarHBondContact O-N 3.46Å; Y160-D162 VanDerWaalsContact C-N 3.3Å; Y160-D162 PolarHBondContact O-N 2.94Å; Y160-K163 PolarHBondContact O-N 3Å; Y160-Y164 AromaticContact CD1-CD2 3.81Å; Y160-Y164 HydrophobicContact CD1-CD2 3.81Å; Y160-Y164 AromaticContact CD2-CD2 3.63Å; Y160-Y164 HydrophobicContact CD2-CD2 3.63Å; Y160-Y164 AromaticContact CD2-CE2 3.7Å; Y160-Y164 HydrophobicContact CD2-CE2 3.7Å; Y160-Y164 AromaticContact CE1-CD2 3.7Å; Y160-Y164 HydrophobicContact CE1-CD2 3.7Å; Y160-Y164 HydrophobicContact CE1-CG 4.14Å; Y160-Y164 AromaticContact CE2-CD2 3.55Å; Y160-Y164 HydrophobicContact CE2-CD2 3.55Å; Y160-Y164 AromaticContact CE2-CE2 3.62Å; Y160-Y164 HydrophobicContact CE2-CE2 3.62Å; Y160-Y164 HydrophobicContact CE2-CG 4.48Å; Y160-Y164 AromaticContact CG-CD2 3.76Å; Y160-Y164 HydrophobicContact CG-CD2 3.76Å; Y160-Y164 HydrophobicContact CG-CE2 4.25Å; Y160-Y164 AromaticContact CZ-CD2 3.59Å; Y160-Y164 VanDerWaalsContact O-CD2 3.31Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.35Å; Y160-Y164 PolarHBondContact O-N 3.26Å; Y160-E166 HydrophobicContact CE1-CB 4.3Å; Y160-W172 HydrophobicContact CD1-CZ2 4.41Å; Y160-W172 AromaticContact CD2-CH2 3.95Å; Y160-W172 HydrophobicContact CD2-CH2 3.95Å; Y160-W172 AromaticContact CD2-CZ2 3.61Å; Y160-W172 HydrophobicContact CD2-CZ2 3.61Å; Y160-W172 HydrophobicContact CE2-CZ2 4.14Å; Y160-W172 AromaticContact CG-CH2 4Å; Y160-W172 HydrophobicContact CG-CH2 4Å; Y160-W172 AromaticContact CG-CZ2 3.76Å; Y160-W172 HydrophobicContact CG-CZ2 3.76Å; Y160-T178 HydrophobicContact CD1-CG2 3.97Å; Y160-T178 HydrophobicContact CE1-CG2 3.43Å; Y160-T178 VanDerWaalsContact CE1-CG2 3.43Å; Y160-T178 PolarHBondContact OH-OG1 3.09Å
161	T	97.9	Very high	97.5	Very high	35 Å²	35	54.9 Å²	54.9	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-37.9	-179.9	61.7	0	0	0	0	112.5	A157 F158 K163 G165 E166	A157-T161 WeakPolarHBondContact O-CG2 3.13Å; A157-T161 PolarHBondContact O-N 3.33Å; F158-T161 PolarHBondContact O-N 3.14Å; F158-T161 PolarHBondContact O-OG1 2.91Å; T161-K163 VanDerWaalsContact C-N 3.3Å; T161-K163 PolarHBondContact O-N 3.3Å; T161-G165 WeakPolarHBondContact O-CA 3.3Å; T161-G165 PolarHBondContact O-N 3.11Å; T161-E166 WeakPolarHBondContact CB-O 3.48Å; T161-E166 VanDerWaalsContact CG2-O 3.25Å; T161-E166 WeakPolarHBondContact CG2-O 3.44Å
162	D	97.6	Very high	97.4	Very high	70 Å²	70	54.8 Å²	54.8	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-33.1	179.3	-74.8	-1.6	0	0	0	112	Y33 R135 F158 Y160	Y33-D162 PolarHBondContact OH-OD2 3.08Å; R135-D162 IonicContact CZ-OD1 3.88Å; R135-D162 IonicContact CZ-OD2 2.6Å; R135-D162 IonicContact NH1-OD1 2.87Å; R135-D162 PolarHBondContact NH1-OD1 3.22Å; R135-D162 IonicContact NH1-OD2 3.77Å; R135-D162 PolarHBondContact NH1-OD2 2.82Å; R135-D162 IonicContact NH2-OD1 2.78Å; R135-D162 PolarHBondContact NH2-OD1 3.32Å; R135-D162 IonicContact NH2-OD2 3.96Å; F158-D162 WeakPolarHBondContact O-CB 3.32Å; F158-D162 VanDerWaalsContact O-CG 3.24Å; F158-D162 PolarHBondContact O-N 3.46Å; Y160-D162 VanDerWaalsContact C-N 3.3Å; Y160-D162 PolarHBondContact O-N 2.94Å
163	K	97.2	Very high	97.4	Very high	152 Å²	152	58.9 Å²	58.9	66%	0.661	32%	0.315	S	S	*	.	H	α-helix	trans	-83.2	-41.8	-178.7	-177.1	173.9	177.5	-170.7	0	113.3	Q159 Y160 T161	Q159-K163 WeakPolarHBondContact O-CB 3.48Å; Q159-K163 PolarHBondContact O-N 3.24Å; Q159-K163 VanDerWaalsContact O-N 3.14Å; Y160-K163 PolarHBondContact O-N 3Å; T161-K163 VanDerWaalsContact C-N 3.3Å; T161-K163 PolarHBondContact O-N 3.3Å
164	Y	96.8	Very high	97.3	Very high	121 Å²	121	60.7 Å²	60.7	48%	0.475	33%	0.331	S	S	.	.	H	α-helix	trans	-106.8	-16.3	-168.6	-61.5	-71.5	0	0	0	113.9	Y160 E166	Y160-Y164 AromaticContact CD1-CD2 3.81Å; Y160-Y164 HydrophobicContact CD1-CD2 3.81Å; Y160-Y164 AromaticContact CD2-CD2 3.63Å; Y160-Y164 HydrophobicContact CD2-CD2 3.63Å; Y160-Y164 AromaticContact CD2-CE2 3.7Å; Y160-Y164 HydrophobicContact CD2-CE2 3.7Å; Y160-Y164 AromaticContact CE1-CD2 3.7Å; Y160-Y164 HydrophobicContact CE1-CD2 3.7Å; Y160-Y164 HydrophobicContact CE1-CG 4.14Å; Y160-Y164 AromaticContact CE2-CD2 3.55Å; Y160-Y164 HydrophobicContact CE2-CD2 3.55Å; Y160-Y164 AromaticContact CE2-CE2 3.62Å; Y160-Y164 HydrophobicContact CE2-CE2 3.62Å; Y160-Y164 HydrophobicContact CE2-CG 4.48Å; Y160-Y164 AromaticContact CG-CD2 3.76Å; Y160-Y164 HydrophobicContact CG-CD2 3.76Å; Y160-Y164 HydrophobicContact CG-CE2 4.25Å; Y160-Y164 AromaticContact CZ-CD2 3.59Å; Y160-Y164 VanDerWaalsContact O-CD2 3.31Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.35Å; Y160-Y164 PolarHBondContact O-N 3.26Å; Y164-E166 PolarHBondContact O-N 3.42Å
165	G	94.4	Very high	97.1	Very high	60 Å²	60	63.4 Å²	63.4	62%	0.619	37%	0.366	S	S	*	.			trans	69.8	7.9	-178	0	0	0	0	0	114.5	T161	T161-G165 WeakPolarHBondContact O-CA 3.3Å; T161-G165 PolarHBondContact O-N 3.11Å
166	E	94.6	Very high	97	Very high	58 Å²	58	68.1 Å²	68.1	27%	0.271	39%	0.388	S	S	.	.			trans	-89.7	170.2	170.8	-63.5	-179.3	-173.9	0	0	110.7	Y160 T161 Y164 T178 V180	Y160-E166 HydrophobicContact CE1-CB 4.3Å; T161-E166 WeakPolarHBondContact CB-O 3.48Å; T161-E166 VanDerWaalsContact CG2-O 3.25Å; T161-E166 WeakPolarHBondContact CG2-O 3.44Å; Y164-E166 PolarHBondContact O-N 3.42Å; E166-T178 WeakPolarHBondContact OE2-CB 3.28Å; E166-T178 PolarHBondContact OE2-OG1 3.01Å; E166-V180 HydrophobicContact CG-CG2 4.27Å
167	V	95.9	Very high	96.8	Very high	52 Å²	52	71.4 Å²	71.4	32%	0.315	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-110.4	146.1	175.9	-59.8	0	0	0	0	112	T178 M179 A181	V167-T178 WeakPolarHBondContact O-CB 3.37Å; V167-M179 HydrophobicContact CG2-CB 3.94Å; V167-M179 HydrophobicContact CG2-CE 3.71Å; V167-M179 HydrophobicContact CG2-CG 4.44Å; V167-M179 VanDerWaalsContact CG2-O 3.26Å; V167-M179 WeakPolarHBondContact CG2-O 3.22Å; V167-M179 PolarHBondContact N-O 2.89Å; V167-M179 PolarHBondContact O-N 3.43Å; V167-A181 HydrophobicContact CG1-CB 3.93Å
168	C	96.9	Very high	96.7	Very high	35 Å²	35	72 Å²	72	24%	0.236	40%	0.404	C	S	.	.			trans	-92.9	121.6	178.4	-64.9	0	0	0	0	110.6	A157 W172	A157-C168 HydrophobicContact CB-CB 4.33Å; C168-W172 HydrophobicContact CB-CB 3.83Å; C168-W172 HydrophobicContact CB-CD2 3.94Å; C168-W172 HydrophobicContact CB-CE3 4.35Å; C168-W172 HydrophobicContact CB-CG 3.71Å
169	P	96.4	Very high	96.5	Very high	31 Å²	31	72 Å²	72	20%	0.201	41%	0.405	C	S	.	.			trans	-65	175.9	175.1	-21.9	33	0	0	0	114.2	N171 W172 K177 Y189	P169-N171 PolarHBondContact O-N 3.03Å; P169-W172 VanDerWaalsContact O-CB 3.22Å; P169-W172 WeakPolarHBondContact O-CB 3.28Å; P169-W172 PolarHBondContact O-N 3.37Å; P169-K177 WeakPolarHBondContact CD-O 3.46Å; P169-Y189 WeakPolarHBondContact CB-OH 3.39Å; P169-Y189 HydrophobicContact CG-CD2 4.47Å; P169-Y189 HydrophobicContact CG-CE1 4.26Å; P169-Y189 HydrophobicContact CG-CE2 3.58Å; P169-Y189 VanDerWaalsContact CG-CZ 3.46Å; P169-Y189 VanDerWaalsContact CG-OH 3.28Å; P169-Y189 WeakPolarHBondContact CG-OH 3.38Å
170	A	96.1	Very high	96.3	Very high	89 Å²	89	71.9 Å²	71.9	74%	0.736	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	139.4	172.5	0	0	0	0	0	111.2	W172	A170-W172 PolarHBondContact O-N 3.18Å; A170-W172 VanDerWaalsContact O-N 3.15Å
171	N	95.9	Very high	96.1	Very high	134 Å²	134	73 Å²	73	72%	0.717	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	15.6	-178.6	-51.8	-45.3	0	0	0	115.4	P169 K173 Q176	P169-N171 PolarHBondContact O-N 3.03Å; N171-K173 PolarHBondContact O-N 2.98Å; N171-Q176 PolarHBondContact O-OE1 2.85Å
172	W	98	Very high	96	Very high	4 Å²	4	74.2 Å²	74.2	2%	0.015	43%	0.434	C	S	.	.			trans	-55.6	133.6	-179.4	-179.7	91.7	0	0	0	112.2	R153 Q156 A157 Y160 C168 P169 A170 P174 Q176 T178	R153-W172 WeakPolarHBondContact CD-O 3.46Å; R153-W172 WeakPolarHBondContact CG-O 3.4Å; R153-W172 PolarHBondContact NH1-O 3.36Å; Q156-W172 HydrophobicContact CB-CZ3 4.24Å; A157-W172 VanDerWaalsContact CA-CZ3 3.45Å; A157-W172 HydrophobicContact CB-CE3 3.74Å; A157-W172 HydrophobicContact CB-CZ3 3.85Å; Y160-W172 HydrophobicContact CD1-CZ2 4.41Å; Y160-W172 AromaticContact CD2-CH2 3.95Å; Y160-W172 HydrophobicContact CD2-CH2 3.95Å; Y160-W172 AromaticContact CD2-CZ2 3.61Å; Y160-W172 HydrophobicContact CD2-CZ2 3.61Å; Y160-W172 HydrophobicContact CE2-CZ2 4.14Å; Y160-W172 AromaticContact CG-CH2 4Å; Y160-W172 HydrophobicContact CG-CH2 4Å; Y160-W172 AromaticContact CG-CZ2 3.76Å; Y160-W172 HydrophobicContact CG-CZ2 3.76Å; C168-W172 HydrophobicContact CB-CB 3.83Å; C168-W172 HydrophobicContact CB-CD2 3.94Å; C168-W172 HydrophobicContact CB-CE3 4.35Å; C168-W172 HydrophobicContact CB-CG 3.71Å; P169-W172 VanDerWaalsContact O-CB 3.22Å; P169-W172 WeakPolarHBondContact O-CB 3.28Å; P169-W172 PolarHBondContact O-N 3.37Å; A170-W172 PolarHBondContact O-N 3.18Å; A170-W172 VanDerWaalsContact O-N 3.15Å; W172-P174 HydrophobicContact CH2-CG 4.34Å; W172-P174 HydrophobicContact CZ3-CG 4.44Å; W172-Q176 VanDerWaalsContact CA-OE1 3.24Å; W172-Q176 PolarHBondContact NE1-O 3.2Å; W172-Q176 VanDerWaalsContact NE1-O 3.1Å; W172-T178 VanDerWaalsContact NE1-CG2 3.28Å
173	K	97.4	Very high	95.9	Very high	120 Å²	120	76 Å²	76	52%	0.522	45%	0.449	S	S	.	.			trans	-126.8	157.6	171.3	-67.9	-174.5	178.1	-173.6	0	109.8	R153 N171 G175 Q176	R153-K173 HydrophobicContact CG-CG 4.33Å; N171-K173 PolarHBondContact O-N 2.98Å; K173-G175 PolarHBondContact O-N 3.48Å; K173-Q176 HydrophobicContact CB-CG 4.45Å; K173-Q176 VanDerWaalsContact O-CB 3.28Å; K173-Q176 WeakPolarHBondContact O-CB 3.48Å; K173-Q176 WeakPolarHBondContact O-CG 3.29Å; K173-Q176 PolarHBondContact O-N 3.38Å
174	P	97.1	Very high	95.8	Very high	76 Å²	76	73.8 Å²	73.8	49%	0.494	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	133.4	176.5	-28.7	35.2	0	0	0	113	Q156 W172 Q176	Q156-P174 HydrophobicContact CB-CG 4.25Å; Q156-P174 HydrophobicContact CG-CG 4.39Å; W172-P174 HydrophobicContact CH2-CG 4.34Å; W172-P174 HydrophobicContact CZ3-CG 4.44Å; P174-Q176 VanDerWaalsContact C-N 3.34Å
175	G	96	Very high	95.7	Very high	85 Å²	85	74.3 Å²	74.3	88%	0.876	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-9.2	-177.9	0	0	0	0	0	115.2	K173	K173-G175 PolarHBondContact O-N 3.48Å
176	Q	96	Very high	95.7	Very high	98 Å²	98	72.3 Å²	72.3	46%	0.458	43%	0.43	S	S	.	.	S	Bend	trans	-81.9	157.1	174	-64.9	-176.9	-29.8	0	0	112.2	N171 W172 K173 P174	N171-Q176 PolarHBondContact O-OE1 2.85Å; W172-Q176 VanDerWaalsContact CA-OE1 3.24Å; W172-Q176 PolarHBondContact NE1-O 3.2Å; W172-Q176 VanDerWaalsContact NE1-O 3.1Å; K173-Q176 HydrophobicContact CB-CG 4.45Å; K173-Q176 VanDerWaalsContact O-CB 3.28Å; K173-Q176 WeakPolarHBondContact O-CB 3.48Å; K173-Q176 WeakPolarHBondContact O-CG 3.29Å; K173-Q176 PolarHBondContact O-N 3.38Å; P174-Q176 VanDerWaalsContact C-N 3.34Å
177	K	94.7	Very high	95.7	Very high	121 Å²	121	75.6 Å²	75.6	53%	0.526	44%	0.443	S	S	.	.			trans	-60.3	141.6	179.6	-67.5	-173.6	177	179.8	0	111.9	P169 Y189 T192	P169-K177 WeakPolarHBondContact CD-O 3.46Å; K177-Y189 HydrophobicContact CB-CD2 3.96Å; K177-Y189 HydrophobicContact CB-CE2 3.83Å; K177-T192 WeakPolarHBondContact CD-OG1 3.42Å; K177-T192 PolarHBondContact NZ-OG1 2.86Å
178	T	96.1	Very high	95.6	Very high	22 Å²	22	80.2 Å²	80.2	14%	0.135	46%	0.461	C	S	.	.			trans	-117.1	173.2	176	39.6	0	0	0	0	109.8	Y160 E166 V167 W172 Y189	Y160-T178 HydrophobicContact CD1-CG2 3.97Å; Y160-T178 HydrophobicContact CE1-CG2 3.43Å; Y160-T178 VanDerWaalsContact CE1-CG2 3.43Å; Y160-T178 PolarHBondContact OH-OG1 3.09Å; E166-T178 WeakPolarHBondContact OE2-CB 3.28Å; E166-T178 PolarHBondContact OE2-OG1 3.01Å; V167-T178 WeakPolarHBondContact O-CB 3.37Å; W172-T178 VanDerWaalsContact NE1-CG2 3.28Å; T178-Y189 VanDerWaalsContact O-CD2 3.27Å; T178-Y189 WeakPolarHBondContact O-CD2 3.18Å
179	M	94.4	Very high	95.5	Very high	44 Å²	44	80.6 Å²	80.6	22%	0.217	46%	0.458	C	S	.	.	B	Isolated β-bridge	trans	-129.7	136.2	-176.3	179.8	174.3	65.4	0	0	109.6	V167 Y189 F190	V167-M179 HydrophobicContact CG2-CB 3.94Å; V167-M179 HydrophobicContact CG2-CE 3.71Å; V167-M179 HydrophobicContact CG2-CG 4.44Å; V167-M179 VanDerWaalsContact CG2-O 3.26Å; V167-M179 WeakPolarHBondContact CG2-O 3.22Å; V167-M179 PolarHBondContact N-O 2.89Å; V167-M179 PolarHBondContact O-N 3.43Å; M179-Y189 HydrophobicContact CB-CD1 4.34Å; M179-Y189 HydrophobicContact CB-CD2 4.35Å; M179-Y189 HydrophobicContact CB-CG 3.97Å; M179-Y189 HydrophobicContact CG-CD1 4.47Å; M179-Y189 HydrophobicContact CG-CG 4.32Å; M179-Y189 HydrophobicContact SD-CD1 4.07Å; M179-Y189 HydrophobicContact SD-CG 4.49Å; M179-F190 HydrophobicContact CE-CZ 4.49Å; M179-F190 HydrophobicContact SD-CD2 4.34Å; M179-F190 HydrophobicContact SD-CE2 3.46Å; M179-F190 WeakPolarHBondContact SD-CE2 3.46Å; M179-F190 HydrophobicContact SD-CZ 3.61Å
180	V	94.2	Very high	95.3	Very high	46 Å²	46	84.9 Å²	84.9	28%	0.279	47%	0.474	S	S	.	.			trans	-74.3	128.5	168.1	-176	0	0	0	0	108.2	E166 D182 K185 S186	E166-V180 HydrophobicContact CG-CG2 4.27Å; V180-D182 HydrophobicContact CG1-CB 4.09Å; V180-D182 PolarHBondContact O-N 3.14Å; V180-K185 HydrophobicContact CB-CB 3.79Å; V180-K185 HydrophobicContact CB-CD 4.41Å; V180-K185 HydrophobicContact CG1-CB 3.94Å; V180-K185 HydrophobicContact CG1-CD 3.77Å; V180-K185 HydrophobicContact CG2-CB 4.32Å; V180-S186 WeakPolarHBondContact O-CB 3.37Å
181	A	94	Very high	95.2	Very high	79 Å²	79	87.9 Å²	87.9	65%	0.653	47%	0.473	S	S	*	.	S	Bend	trans	-75.8	60.4	179.1	0	0	0	0	0	112.2	V167	V167-A181 HydrophobicContact CG1-CB 3.93Å
182	D	96.5	Very high	94.8	Very high	61 Å²	61	85 Å²	85	33%	0.326	46%	0.46	S	S	.	.	S	Bend	trans	-142.1	132.7	178.9	170.7	-93.9	0	0	0	109.4	V180 T184 K185 S186	V180-D182 HydrophobicContact CG1-CB 4.09Å; V180-D182 PolarHBondContact O-N 3.14Å; D182-T184 PolarHBondContact O-N 3Å; D182-T184 VanDerWaalsContact O-N 3.08Å; D182-T184 WeakPolarHBondContact OD1-CA 3.43Å; D182-T184 WeakPolarHBondContact OD1-CB 3.33Å; D182-T184 PolarHBondContact OD1-N 3.19Å; D182-K185 HydrophobicContact CB-CB 4.13Å; D182-K185 HydrophobicContact CB-CD 4.34Å; D182-K185 HydrophobicContact CB-CG 4.37Å; D182-K185 PolarHBondContact O-N 3.47Å; D182-K185 PolarHBondContact OD1-N 3.42Å; D182-S186 WeakPolarHBondContact O-CB 3.11Å; D182-S186 PolarHBondContact O-N 3.45Å; D182-S186 PolarHBondContact O-OG 2.87Å; D182-S186 VanDerWaalsContact O-OG 3.13Å
183	P	94.5	Very high	93.7	Very high	108 Å²	108	88.3 Å²	88.3	70%	0.701	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.8	-174.8	-26.4	34.7	0	0	0	115.6
184	T	95.5	Very high	91.9	Very high	106 Å²	106	90.8 Å²	90.8	65%	0.65	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-50.1	178.2	-57.2	0	0	0	0	110.5	D182 S186 K187	D182-T184 PolarHBondContact O-N 3Å; D182-T184 VanDerWaalsContact O-N 3.08Å; D182-T184 WeakPolarHBondContact OD1-CA 3.43Å; D182-T184 WeakPolarHBondContact OD1-CB 3.33Å; D182-T184 PolarHBondContact OD1-N 3.19Å; T184-S186 VanDerWaalsContact C-N 3.34Å; T184-S186 PolarHBondContact O-N 3.34Å; T184-K187 WeakPolarHBondContact O-CB 3.29Å; T184-K187 PolarHBondContact O-N 2.89Å
185	K	94.7	Very high	91.6	Very high	131 Å²	131	91.5 Å²	91.5	57%	0.57	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-26.9	-176.4	-61.9	176.7	179.4	-178.9	0	113.2	V180 D182 K187 E188	V180-K185 HydrophobicContact CB-CB 3.79Å; V180-K185 HydrophobicContact CB-CD 4.41Å; V180-K185 HydrophobicContact CG1-CB 3.94Å; V180-K185 HydrophobicContact CG1-CD 3.77Å; V180-K185 HydrophobicContact CG2-CB 4.32Å; D182-K185 HydrophobicContact CB-CB 4.13Å; D182-K185 HydrophobicContact CB-CD 4.34Å; D182-K185 HydrophobicContact CB-CG 4.37Å; D182-K185 PolarHBondContact O-N 3.47Å; D182-K185 PolarHBondContact OD1-N 3.42Å; K185-K187 PolarHBondContact O-N 3.08Å; K185-K187 VanDerWaalsContact O-N 3.12Å; K185-E188 PolarHBondContact O-N 2.82Å
186	S	94.9	Very high	91.4	Very high	19 Å²	19	91.8 Å²	91.8	13%	0.133	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.9	177.6	67	0	0	0	0	113.3	V180 D182 T184 E188 Y189 F190	V180-S186 WeakPolarHBondContact O-CB 3.37Å; D182-S186 WeakPolarHBondContact O-CB 3.11Å; D182-S186 PolarHBondContact O-N 3.45Å; D182-S186 PolarHBondContact O-OG 2.87Å; D182-S186 VanDerWaalsContact O-OG 3.13Å; T184-S186 VanDerWaalsContact C-N 3.34Å; T184-S186 PolarHBondContact O-N 3.34Å; S186-E188 PolarHBondContact O-N 2.91Å; S186-Y189 WeakPolarHBondContact O-CB 3.12Å; S186-Y189 PolarHBondContact O-N 2.65Å; S186-Y189 VanDerWaalsContact O-N 3.14Å; S186-F190 WeakPolarHBondContact O-CD2 3.21Å; S186-F190 PolarHBondContact O-N 2.83Å
187	K	94.2	Very high	91.1	Very high	126 Å²	126	91.5 Å²	91.5	55%	0.548	50%	0.497	S	S	.	.	H	α-helix	trans	-60.9	-32.3	179.3	-65.8	-176.7	179.3	-177	0	112.9	T184 K185 Y189 F190 E191	T184-K187 WeakPolarHBondContact O-CB 3.29Å; T184-K187 PolarHBondContact O-N 2.89Å; K185-K187 PolarHBondContact O-N 3.08Å; K185-K187 VanDerWaalsContact O-N 3.12Å; K187-Y189 PolarHBondContact O-N 3.11Å; K187-F190 PolarHBondContact O-N 3.33Å; K187-F190 VanDerWaalsContact O-N 3.13Å; K187-E191 WeakPolarHBondContact O-CB 3.21Å; K187-E191 WeakPolarHBondContact O-CG 3.3Å; K187-E191 PolarHBondContact O-N 3.28Å
188	E	93.7	Very high	90.9	Very high	149 Å²	149	89.8 Å²	89.8	70%	0.696	50%	0.495	S	S	*	.	H	α-helix	trans	-57.8	-39.1	175.7	-175.8	-179.7	171.8	0	0	111.8	K185 S186	K185-E188 PolarHBondContact O-N 2.82Å; S186-E188 PolarHBondContact O-N 2.91Å
189	Y	94.2	Very high	90.6	Very high	43 Å²	43	94 Å²	94	17%	0.169	52%	0.518	C	S	.	.	H	α-helix	trans	-66.2	-51.7	174	175.6	-96.3	0	0	0	111	P169 K177 T178 M179 S186 K187 E191 T192 T193	P169-Y189 WeakPolarHBondContact CB-OH 3.39Å; P169-Y189 HydrophobicContact CG-CD2 4.47Å; P169-Y189 HydrophobicContact CG-CE1 4.26Å; P169-Y189 HydrophobicContact CG-CE2 3.58Å; P169-Y189 VanDerWaalsContact CG-CZ 3.46Å; P169-Y189 VanDerWaalsContact CG-OH 3.28Å; P169-Y189 WeakPolarHBondContact CG-OH 3.38Å; K177-Y189 HydrophobicContact CB-CD2 3.96Å; K177-Y189 HydrophobicContact CB-CE2 3.83Å; T178-Y189 VanDerWaalsContact O-CD2 3.27Å; T178-Y189 WeakPolarHBondContact O-CD2 3.18Å; M179-Y189 HydrophobicContact CB-CD1 4.34Å; M179-Y189 HydrophobicContact CB-CD2 4.35Å; M179-Y189 HydrophobicContact CB-CG 3.97Å; M179-Y189 HydrophobicContact CG-CD1 4.47Å; M179-Y189 HydrophobicContact CG-CG 4.32Å; M179-Y189 HydrophobicContact SD-CD1 4.07Å; M179-Y189 HydrophobicContact SD-CG 4.49Å; S186-Y189 WeakPolarHBondContact O-CB 3.12Å; S186-Y189 PolarHBondContact O-N 2.65Å; S186-Y189 VanDerWaalsContact O-N 3.14Å; K187-Y189 PolarHBondContact O-N 3.11Å; Y189-E191 VanDerWaalsContact C-N 3.35Å; Y189-E191 PolarHBondContact O-N 3.13Å; Y189-T192 PolarHBondContact O-N 3.21Å; Y189-T192 VanDerWaalsContact O-N 3.08Å; Y189-T192 PolarHBondContact O-OG1 3.15Å; Y189-T193 HydrophobicContact CE1-CG2 4.31Å; Y189-T193 PolarHBondContact O-N 3.27Å; Y189-T193 PolarHBondContact O-OG1 3.15Å
190	F	93.7	Very high	90.4	Very high	122 Å²	122	97.3 Å²	97.3	54%	0.535	54%	0.538	S	S	.	.	H	α-helix	trans	-66.1	-31.2	-174.6	-69.1	-65.7	0	0	0	114.2	M179 S186 K187 T192 T193	M179-F190 HydrophobicContact CE-CZ 4.49Å; M179-F190 HydrophobicContact SD-CD2 4.34Å; M179-F190 HydrophobicContact SD-CE2 3.46Å; M179-F190 WeakPolarHBondContact SD-CE2 3.46Å; M179-F190 HydrophobicContact SD-CZ 3.61Å; S186-F190 WeakPolarHBondContact O-CD2 3.21Å; S186-F190 PolarHBondContact O-N 2.83Å; K187-F190 PolarHBondContact O-N 3.33Å; K187-F190 VanDerWaalsContact O-N 3.13Å; F190-T192 PolarHBondContact O-N 3.11Å; F190-T192 VanDerWaalsContact O-N 3.15Å; F190-T193 PolarHBondContact O-N 3.01Å
191	E	92.9	Very high	90.1	Very high	152 Å²	152	101 Å²	101	71%	0.71	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-19.8	174.3	-77.7	174.5	-171.6	0	0	113	K187 Y189	K187-E191 WeakPolarHBondContact O-CB 3.21Å; K187-E191 WeakPolarHBondContact O-CG 3.3Å; K187-E191 PolarHBondContact O-N 3.28Å; Y189-E191 VanDerWaalsContact C-N 3.35Å; Y189-E191 PolarHBondContact O-N 3.13Å
192	T	87.4	Confident	89.8	Confident	72 Å²	72	102.7 Å²	102.7	44%	0.442	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	3.7	-176	71.6	0	0	0	0	114.6	K177 Y189 F190	K177-T192 WeakPolarHBondContact CD-OG1 3.42Å; K177-T192 PolarHBondContact NZ-OG1 2.86Å; Y189-T192 PolarHBondContact O-N 3.21Å; Y189-T192 VanDerWaalsContact O-N 3.08Å; Y189-T192 PolarHBondContact O-OG1 3.15Å; F190-T192 PolarHBondContact O-N 3.11Å; F190-T192 VanDerWaalsContact O-N 3.15Å
193	T	76.6	Confident	89.2	Confident	75 Å²	75	106.2 Å²	106.2	46%	0.46	57%	0.567	S	S	.	*			trans	-114.8	19.5	-173.8	-39.3	0	0	0	0	112.5	Y189 F190	Y189-T193 HydrophobicContact CE1-CG2 4.31Å; Y189-T193 PolarHBondContact O-N 3.27Å; Y189-T193 PolarHBondContact O-OG1 3.15Å; F190-T193 PolarHBondContact O-N 3.01Å
194	S	58.5	Low	88.7	Confident	171 Å²	171	106 Å²	106	100%	1.196	56%	0.555	S	S	*	*			trans	-82.8	0	176.7	57.4	0	0	0	0	113.3

Retrieved 194 of 194 residues in 69.7 ms (Link to these results)

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