A0A674AKM0_SALTR Loading...

DIRAS family GTPase 2

Displays low GTPase activity and exists predominantly in the GTP-bound form.

AlphaFold DB , UniProt , Accession A0A674AKM0, Species SALTR (Salmo trutta, Brown trout), Gene DIRAS2, Length 198 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	72.1	Confident	233 Å²	233	88.6 Å²	88.6	100%	1.148	46%	0.455	S	S	*	.				0	130.5	0	-61.2	-176	175.6	0	0	106.3	E3	M1-E3 PolarHBondContact O-N 3.23Å
2	P	41.7	Very low	74.3	Confident	130 Å²	130	81.4 Å²	81.4	84%	0.844	42%	0.418	S	S	*	.			trans	-64.7	125.4	176.1	3.5	9.4	0	0	0	107.3	Q4	P2-Q4 PolarHBondContact O-N 2.89Å; P2-Q4 VanDerWaalsContact O-N 3.16Å
3	E	44.6	Very low	76.1	Confident	191 Å²	191	75.4 Å²	75.4	89%	0.893	39%	0.387	S	S	*	.			trans	-49.2	123.4	173	-84.2	-179	145.1	0	0	108.9	M1 S5	M1-E3 PolarHBondContact O-N 3.23Å; E3-S5 VanDerWaalsContact C-N 3.33Å; E3-S5 PolarHBondContact O-N 3.16Å
4	Q	50.1	Low	77.6	Confident	193 Å²	193	70.3 Å²	70.3	90%	0.902	36%	0.362	S	S	*	.			trans	-67.6	98.9	173.5	-139.2	156.3	26.7	0	0	106.2	P2 N6	P2-Q4 PolarHBondContact O-N 2.89Å; P2-Q4 VanDerWaalsContact O-N 3.16Å; Q4-N6 PolarHBondContact O-N 3.17Å; Q4-N6 VanDerWaalsContact O-N 3.17Å
5	S	62.9	Low	78.8	Confident	63 Å²	63	66.2 Å²	66.2	44%	0.441	34%	0.343	S	S	.	.			trans	-52.9	125	-178	66.8	0	0	0	0	108.8	E3 D7	E3-S5 VanDerWaalsContact C-N 3.33Å; E3-S5 PolarHBondContact O-N 3.16Å; S5-D7 PolarHBondContact O-N 2.95Å
6	N	78.9	Confident	79.8	Confident	71 Å²	71	64.4 Å²	64.4	38%	0.38	35%	0.345	S	S	.	.			trans	-73.8	23.7	179.5	-155.8	17.2	0	0	0	112.7	Q4 C55 R172	Q4-N6 PolarHBondContact O-N 3.17Å; Q4-N6 VanDerWaalsContact O-N 3.17Å; N6-C55 HydrophobicContact CB-CB 4.17Å; N6-C55 WeakPolarHBondContact O-CB 3.28Å; N6-R172 PolarHBondContact OD1-NH1 2.91Å
7	D	89.6	Confident	80.7	Confident	18 Å²	18	62.4 Å²	62.4	10%	0.096	34%	0.343	C	S	.	.			trans	-66.9	132.1	-170.4	-69.1	-2.2	0	0	0	111.2	S5 R45 T56 Q58 H80	S5-D7 PolarHBondContact O-N 2.95Å; D7-R45 IonicContact OD2-NH1 3.66Å; D7-T56 CarbonylContact C-O 3.59Å; D7-T56 VanDerWaalsContact CA-O 3.28Å; D7-T56 WeakPolarHBondContact CA-O 3.46Å; D7-T56 VanDerWaalsContact OD1-CB 3.28Å; D7-T56 WeakPolarHBondContact OD1-CB 3.19Å; D7-T56 PolarHBondContact OD1-OG1 2.85Å; D7-Q58 HydrophobicContact CB-CG 4.28Å; D7-Q58 PolarHBondContact OD2-NE2 3.34Å; D7-H80 PolarHBondContact O-CE1 3.39Å; D7-H80 PolarHBondContact O-ND1 2.94Å
8	Y	94.3	Very high	81.6	Confident	1 Å²	1	59.1 Å²	59.1	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.8	170.5	-161.3	-97.5	0	0	0	108.9	V10 T56 L57 Q58 H80 A81 L166 E169 V174	Y8-V10 HydrophobicContact CD1-CG2 4.2Å; Y8-V10 HydrophobicContact CE1-CG2 4.18Å; Y8-T56 PolarHBondContact N-O 2.92Å; Y8-L57 HydrophobicContact CD1-CD1 3.88Å; Y8-L57 CarbonylContact O-C 3.56Å; Y8-L57 WeakPolarHBondContact O-CA 3.17Å; Y8-Q58 PolarHBondContact O-N 2.83Å; Y8-H80 HydrophobicContact CD2-CB 4.19Å; Y8-H80 HydrophobicContact CE1-CB 4.37Å; Y8-H80 HydrophobicContact CE2-CB 3.8Å; Y8-A81 HydrophobicContact CE1-CB 3.97Å; Y8-L166 HydrophobicContact CD1-CD2 3.55Å; Y8-L166 HydrophobicContact CE1-CD2 3.48Å; Y8-L166 VanDerWaalsContact CE1-CD2 3.48Å; Y8-L166 HydrophobicContact CG-CD2 4.48Å; Y8-E169 HydrophobicContact CE2-CB 4.38Å; Y8-E169 HydrophobicContact CE2-CG 3.79Å; Y8-E169 WeakPolarHBondContact CE2-OE2 3.47Å; Y8-E169 WeakPolarHBondContact OH-CB 3.37Å; Y8-E169 PolarHBondContact OH-OE2 2.81Å; Y8-V174 HydrophobicContact CD2-CG2 4.04Å; Y8-V174 HydrophobicContact CE2-CG2 4.2Å; Y8-V174 HydrophobicContact CG-CG1 4.38Å
9	R	96.1	Very high	82.4	Confident	70 Å²	70	56.6 Å²	56.6	26%	0.264	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.4	-165.9	-62.3	-179.2	-177.7	164.1	3.1	109.5	Q58 K78 H80 A81	R9-Q58 CarbonylContact C-O 3.48Å; R9-Q58 WeakPolarHBondContact CA-O 3.4Å; R9-Q58 HydrophobicContact CG-CB 4.23Å; R9-K78 WeakPolarHBondContact CD-O 3.39Å; R9-H80 WeakPolarHBondContact CB-ND1 3.31Å; R9-H80 PolarHBondContact N-ND1 3.31Å; R9-H80 WeakPolarHBondContact O-CA 3.21Å; R9-H80 WeakPolarHBondContact O-CB 3.41Å; R9-H80 PolarHBondContact O-N 3.23Å; R9-A81 PolarHBondContact O-N 3.21Å; R9-A81 VanDerWaalsContact O-N 3.12Å
10	V	97.9	Very high	83.1	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.7	175.3	176.9	0	0	0	0	108.2	Y8 L57 Q58 I59 T60 A81 I83 L165	Y8-V10 HydrophobicContact CD1-CG2 4.2Å; Y8-V10 HydrophobicContact CE1-CG2 4.18Å; V10-L57 HydrophobicContact CG2-CD1 3.72Å; V10-Q58 PolarHBondContact N-O 3.35Å; V10-I59 HydrophobicContact CB-CG1 4.49Å; V10-I59 CarbonylContact O-C 3.54Å; V10-I59 WeakPolarHBondContact O-CA 3.21Å; V10-T60 PolarHBondContact O-N 2.71Å; V10-A81 WeakPolarHBondContact CA-O 3.28Å; V10-A81 HydrophobicContact CG2-CB 4.24Å; V10-I83 HydrophobicContact CG1-CD1 3.81Å; V10-I83 HydrophobicContact CG1-CG1 3.88Å; V10-L165 HydrophobicContact CB-CD2 4.47Å; V10-L165 HydrophobicContact CG1-CD2 3.67Å; V10-L165 HydrophobicContact CG2-CD2 3.91Å
11	V	98.1	Very high	83.8	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.2	174.7	-172.1	0	0	0	0	109.2	F13 T62 A81 F82 I83	V11-F13 HydrophobicContact CB-CE2 4.08Å; V11-F13 HydrophobicContact CB-CZ 4.41Å; V11-F13 HydrophobicContact CG1-CD1 4.47Å; V11-F13 HydrophobicContact CG1-CD2 4.1Å; V11-F13 HydrophobicContact CG1-CE1 3.95Å; V11-F13 HydrophobicContact CG1-CE2 3.54Å; V11-F13 HydrophobicContact CG1-CZ 3.45Å; V11-F13 VanDerWaalsContact CG1-CZ 3.45Å; V11-T62 HydrophobicContact CG1-CG2 3.69Å; V11-A81 PolarHBondContact N-O 2.84Å; V11-F82 HydrophobicContact CB-CD1 3.98Å; V11-F82 HydrophobicContact CB-CE1 4.09Å; V11-F82 HydrophobicContact CG2-CE1 4.18Å; V11-F82 WeakPolarHBondContact O-CA 3.28Å; V11-I83 PolarHBondContact O-N 2.97Å
12	V	98.3	Very high	86.6	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.8	-178.2	-170.7	0	0	0	0	109.3	K20 V24 I59 T60 T62 I83 V85	V12-K20 HydrophobicContact CG1-CB 3.88Å; V12-K20 HydrophobicContact CG1-CD 4.22Å; V12-K20 HydrophobicContact CG1-CG 3.98Å; V12-V24 HydrophobicContact CG2-CG2 3.87Å; V12-I59 HydrophobicContact CG2-CG2 3.83Å; V12-T60 PolarHBondContact N-O 2.98Å; V12-T62 WeakPolarHBondContact O-CG2 3.41Å; V12-T62 PolarHBondContact O-OG1 3.37Å; V12-I83 WeakPolarHBondContact CA-O 3.14Å; V12-I83 HydrophobicContact CG1-CB 4.28Å; V12-I83 HydrophobicContact CG1-CG2 4.33Å; V12-I83 HydrophobicContact CG2-CB 4.31Å; V12-I83 HydrophobicContact CG2-CD1 4.28Å; V12-V85 HydrophobicContact CG1-CG2 3.66Å
13	F	97.8	Very high	89.3	Confident	3 Å²	3	37.1 Å²	37.1	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	163.7	178.2	-68.7	-65.1	0	0	0	111.9	V11 T62 Q72 I76 F82 I83 L84 V85 I100	V11-F13 HydrophobicContact CB-CE2 4.08Å; V11-F13 HydrophobicContact CB-CZ 4.41Å; V11-F13 HydrophobicContact CG1-CD1 4.47Å; V11-F13 HydrophobicContact CG1-CD2 4.1Å; V11-F13 HydrophobicContact CG1-CE1 3.95Å; V11-F13 HydrophobicContact CG1-CE2 3.54Å; V11-F13 HydrophobicContact CG1-CZ 3.45Å; V11-F13 VanDerWaalsContact CG1-CZ 3.45Å; F13-T62 HydrophobicContact CD1-CG2 3.93Å; F13-T62 HydrophobicContact CE1-CG2 3.77Å; F13-Q72 HydrophobicContact CE1-CG 3.81Å; F13-Q72 HydrophobicContact CZ-CG 4.06Å; F13-I76 HydrophobicContact CE2-CG1 3.8Å; F13-I76 HydrophobicContact CZ-CD1 4.48Å; F13-I76 HydrophobicContact CZ-CG1 3.81Å; F13-F82 HydrophobicContact CD2-CD1 4.23Å; F13-F82 AromaticContact CE2-CD1 3.8Å; F13-F82 HydrophobicContact CE2-CD1 3.8Å; F13-F82 HydrophobicContact CE2-CE1 4.13Å; F13-I83 PolarHBondContact N-O 2.85Å; F13-L84 HydrophobicContact CB-CD2 3.93Å; F13-L84 HydrophobicContact CD2-CD2 4.18Å; F13-V85 PolarHBondContact O-N 2.84Å; F13-I100 HydrophobicContact CB-CD1 4.22Å; F13-I100 HydrophobicContact CB-CG2 3.9Å; F13-I100 HydrophobicContact CD1-CG2 4.38Å; F13-I100 HydrophobicContact CD2-CG2 3.86Å; F13-I100 HydrophobicContact CE2-CG2 4.47Å; F13-I100 HydrophobicContact CG-CG2 3.81Å
14	G	97.3	Very high	91.8	Very high	4 Å²	4	28 Å²	28	4%	0.041	17%	0.168	C	C	.	.			trans	144.5	162.5	-179.4	0	0	0	0	0	112.2	K20 G64 V85	G14-K20 PolarHBondContact O-NZ 3.45Å; G14-G64 VanDerWaalsContact O-CA 3.3Å; G14-G64 WeakPolarHBondContact O-CA 3.48Å; G14-V85 VanDerWaalsContact CA-O 3.26Å; G14-V85 WeakPolarHBondContact CA-O 3.43Å
15	A	96.1	Very high	94	Very high	9 Å²	9	20.2 Å²	20.2	7%	0.074	13%	0.133	C	C	.	.			trans	-60.5	170.8	-177.1	0	0	0	0	0	113.3	V18 K20 S65 E96	A15-V18 HydrophobicContact CB-CG1 3.85Å; A15-V18 VanDerWaalsContact O-CG2 3.31Å; A15-V18 WeakPolarHBondContact O-CG2 3.49Å; A15-K20 PolarHBondContact O-NZ 3.48Å; A15-S65 WeakPolarHBondContact CA-OG 3.39Å; A15-E96 VanDerWaalsContact CB-OE2 3.27Å; A15-E96 WeakPolarHBondContact CB-OE2 3.22Å
16	G	94.4	Very high	95.6	Very high	37 Å²	37	19.4 Å²	19.4	38%	0.381	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	143.4	169.6	0	0	0	0	0	111.5	V18	G16-V18 PolarHBondContact O-N 2.63Å
17	G	94.4	Very high	96.5	Very high	30 Å²	30	17.2 Å²	17.2	31%	0.309	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-2.6	172	0	0	0	0	0	117.7	G19 K122	G17-G19 PolarHBondContact O-N 3.35Å; G17-K122 VanDerWaalsContact O-CE 3.27Å; G17-K122 WeakPolarHBondContact O-CE 3.38Å; G17-K122 PolarHBondContact O-NZ 3.03Å
18	V	97.1	Very high	96.7	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.018	11%	0.113	C	C	.	.	S	Bend	trans	-69.7	-14.8	178.4	-56.2	0	0	0	0	113.7	A15 G16 K20 V85 N121	A15-V18 HydrophobicContact CB-CG1 3.85Å; A15-V18 VanDerWaalsContact O-CG2 3.31Å; A15-V18 WeakPolarHBondContact O-CG2 3.49Å; G16-V18 PolarHBondContact O-N 2.63Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; V18-V85 HydrophobicContact CB-CG1 4.29Å; V18-V85 HydrophobicContact CG2-CB 4.01Å; V18-V85 HydrophobicContact CG2-CG1 3.83Å; V18-N121 PolarHBondContact O-ND2 3.29Å
19	G	97.1	Very high	96.6	Very high	12 Å²	12	24.3 Å²	24.3	12%	0.124	14%	0.14	C	C	.	.	S	Bend	trans	99.3	24.8	175.2	0	0	0	0	0	116.1	G17 S22 L23	G17-G19 PolarHBondContact O-N 3.35Å; G19-S22 PolarHBondContact O-N 3.42Å; G19-L23 PolarHBondContact O-N 3.43Å
20	K	97.6	Very high	96.5	Very high	11 Å²	11	23.2 Å²	23.2	5%	0.048	15%	0.151	C	C	.	.	H	α-helix	trans	-50.2	-58.5	172.9	-57.8	-172.9	-62.2	-72.6	0	112.1	V12 G14 A15 V18 S22 L23 V24 D61 T62 G64 V85	V12-K20 HydrophobicContact CG1-CB 3.88Å; V12-K20 HydrophobicContact CG1-CD 4.22Å; V12-K20 HydrophobicContact CG1-CG 3.98Å; G14-K20 PolarHBondContact O-NZ 3.45Å; A15-K20 PolarHBondContact O-NZ 3.48Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.43Å; K20-L23 PolarHBondContact O-N 3.19Å; K20-L23 VanDerWaalsContact O-N 3.15Å; K20-V24 WeakPolarHBondContact O-CG2 3.41Å; K20-V24 PolarHBondContact O-N 3.4Å; K20-D61 VanDerWaalsContact CB-OD1 3.31Å; K20-D61 WeakPolarHBondContact CB-OD1 3.42Å; K20-T62 WeakPolarHBondContact CE-O 3.48Å; K20-G64 VanDerWaalsContact NZ-CA 3.29Å; K20-V85 HydrophobicContact CG-CB 4.19Å; K20-V85 HydrophobicContact CG-CG2 4.3Å
21	S	96.6	Very high	96.3	Very high	24 Å²	24	26.1 Å²	26.1	17%	0.168	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-37.8	178.5	-46.5	0	0	0	0	112.5	V24 L25 T39 D61	S21-V24 PolarHBondContact O-N 3.4Å; S21-L25 VanDerWaalsContact O-CB 3.23Å; S21-L25 WeakPolarHBondContact O-CB 3.23Å; S21-L25 VanDerWaalsContact O-CG 3.24Å; S21-L25 WeakPolarHBondContact O-CG 3.37Å; S21-L25 PolarHBondContact O-N 3.34Å; S21-T39 PolarHBondContact OG-OG1 2.91Å; S21-D61 WeakPolarHBondContact CA-OD2 3.46Å; S21-D61 WeakPolarHBondContact CB-OD2 3.38Å; S21-D61 PolarHBondContact N-OD1 3.37Å; S21-D61 VanDerWaalsContact OG-CG 3.32Å; S21-D61 PolarHBondContact OG-OD1 2.81Å; S21-D61 PolarHBondContact OG-OD2 2.91Å
22	S	97.4	Very high	96.1	Very high	31 Å²	31	28.7 Å²	28.7	22%	0.217	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-41.2	177.4	-54.3	0	0	0	0	112	G19 K20 R26	G19-S22 PolarHBondContact O-N 3.42Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.43Å; S22-R26 WeakPolarHBondContact O-CB 3.3Å; S22-R26 PolarHBondContact O-N 3.42Å
23	L	98.3	Very high	95.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-47.8	174.3	-75.3	170	0	0	0	111.3	G19 K20 R26 F27 V85 V119 N121 A152 V158 L161	G19-L23 PolarHBondContact O-N 3.43Å; K20-L23 PolarHBondContact O-N 3.19Å; K20-L23 VanDerWaalsContact O-N 3.15Å; L23-R26 PolarHBondContact O-N 3.08Å; L23-F27 VanDerWaalsContact O-CB 3.31Å; L23-F27 WeakPolarHBondContact O-CB 3.39Å; L23-F27 PolarHBondContact O-N 3.24Å; L23-V85 HydrophobicContact CD1-CG1 3.92Å; L23-V85 HydrophobicContact CD1-CG2 4.04Å; L23-V119 HydrophobicContact CD1-CG1 4.14Å; L23-N121 HydrophobicContact CD1-CB 4.21Å; L23-A152 HydrophobicContact CD2-CB 3.97Å; L23-A152 HydrophobicContact CG-CB 4.17Å; L23-V158 HydrophobicContact CD2-CG2 4.03Å; L23-L161 HydrophobicContact CD1-CD2 4.34Å; L23-L161 HydrophobicContact CD2-CD2 4.47Å
24	V	97.3	Very high	95	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-46.7	-179.1	178.8	0	0	0	0	111.2	V12 K20 S21 F27 V28 Y44 I59 D61	V12-V24 HydrophobicContact CG2-CG2 3.87Å; K20-V24 WeakPolarHBondContact O-CG2 3.41Å; K20-V24 PolarHBondContact O-N 3.4Å; S21-V24 PolarHBondContact O-N 3.4Å; V24-F27 PolarHBondContact O-N 3.14Å; V24-V28 HydrophobicContact CG1-CG2 4.3Å; V24-V28 WeakPolarHBondContact O-CB 3.42Å; V24-V28 VanDerWaalsContact O-CG2 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.42Å; V24-Y44 HydrophobicContact CG1-CD1 4.47Å; V24-Y44 HydrophobicContact CG1-CD2 3.3Å; V24-Y44 HydrophobicContact CG1-CE2 3.75Å; V24-Y44 HydrophobicContact CG1-CG 3.72Å; V24-I59 HydrophobicContact CG1-CB 4.39Å; V24-I59 HydrophobicContact CG1-CG2 3.93Å; V24-I59 HydrophobicContact CG2-CG2 3.8Å; V24-D61 HydrophobicContact CG2-CB 4.33Å
25	L	95.9	Very high	94.5	Very high	29 Å²	29	45.9 Å²	45.9	15%	0.152	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-38.7	177.6	-73	171.8	0	0	0	112.3	S21 F27 K29 G30 T31 Y44	S21-L25 VanDerWaalsContact O-CB 3.23Å; S21-L25 WeakPolarHBondContact O-CB 3.23Å; S21-L25 VanDerWaalsContact O-CG 3.24Å; S21-L25 WeakPolarHBondContact O-CG 3.37Å; S21-L25 PolarHBondContact O-N 3.34Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-K29 HydrophobicContact CD2-CD 3.96Å; L25-K29 WeakPolarHBondContact O-CA 3.44Å; L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 PolarHBondContact O-N 3.27Å; L25-G30 PolarHBondContact O-N 3.47Å; L25-T31 CarbonylContact C-O 3.4Å; L25-Y44 HydrophobicContact CD2-CE1 3.61Å; L25-Y44 WeakPolarHBondContact CD2-OH 3.25Å
26	R	97.3	Very high	93.8	Very high	46 Å²	46	52.2 Å²	52.2	17%	0.174	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-43.2	176.3	178.6	62.4	78.5	-177.9	17.6	110.6	S22 L23 G30 T31 A152 K153 N155 V158	S22-R26 WeakPolarHBondContact O-CB 3.3Å; S22-R26 PolarHBondContact O-N 3.42Å; L23-R26 PolarHBondContact O-N 3.08Å; R26-G30 PolarHBondContact NH1-O 2.95Å; R26-G30 WeakPolarHBondContact O-CA 3.14Å; R26-G30 PolarHBondContact O-N 2.76Å; R26-T31 WeakPolarHBondContact CA-O 3.42Å; R26-T31 PolarHBondContact N-O 3.05Å; R26-A152 PolarHBondContact NE-O 3.31Å; R26-A152 PolarHBondContact NH2-O 3.29Å; R26-K153 PolarHBondContact NH2-O 3.31Å; R26-N155 WeakPolarHBondContact CD-OD1 3.43Å; R26-N155 HydrophobicContact CG-CB 4.34Å; R26-N155 WeakPolarHBondContact CG-OD1 3.36Å; R26-V158 HydrophobicContact CB-CG1 4.1Å; R26-V158 HydrophobicContact CG-CB 4.22Å; R26-V158 HydrophobicContact CG-CG1 3.85Å; R26-V158 HydrophobicContact CG-CG2 4Å
27	F	96.8	Very high	93.2	Very high	25 Å²	25	55.8 Å²	55.8	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-50	177.3	175.7	-110.5	0	0	0	113	L23 V24 L25 L57 I59 V158 F162 L176	L23-F27 VanDerWaalsContact O-CB 3.31Å; L23-F27 WeakPolarHBondContact O-CB 3.39Å; L23-F27 PolarHBondContact O-N 3.24Å; V24-F27 PolarHBondContact O-N 3.14Å; L25-F27 VanDerWaalsContact C-N 3.32Å; F27-L57 HydrophobicContact CE1-CD2 4.13Å; F27-L57 HydrophobicContact CZ-CD2 4.46Å; F27-I59 HydrophobicContact CD1-CD1 3.63Å; F27-I59 HydrophobicContact CE1-CD1 3.63Å; F27-V158 HydrophobicContact CB-CG1 3.86Å; F27-F162 HydrophobicContact CB-CD2 3.76Å; F27-F162 HydrophobicContact CB-CE2 3.4Å; F27-F162 VanDerWaalsContact CB-CE2 3.4Å; F27-F162 HydrophobicContact CB-CZ 4.11Å; F27-F162 HydrophobicContact CD1-CD1 4.07Å; F27-F162 AromaticContact CD1-CD2 3.72Å; F27-F162 HydrophobicContact CD1-CD2 3.72Å; F27-F162 HydrophobicContact CD1-CE1 4.13Å; F27-F162 AromaticContact CD1-CE2 3.81Å; F27-F162 HydrophobicContact CD1-CE2 3.81Å; F27-F162 AromaticContact CD1-CG 3.88Å; F27-F162 HydrophobicContact CD1-CG 3.88Å; F27-F162 HydrophobicContact CD1-CZ 4.01Å; F27-F162 HydrophobicContact CD2-CB 4.1Å; F27-F162 AromaticContact CD2-CD2 3.34Å; F27-F162 HydrophobicContact CD2-CD2 3.34Å; F27-F162 AromaticContact CD2-CE2 3.96Å; F27-F162 HydrophobicContact CD2-CE2 3.96Å; F27-F162 AromaticContact CD2-CG 3.86Å; F27-F162 HydrophobicContact CD2-CG 3.86Å; F27-F162 HydrophobicContact CE1-CB 4.24Å; F27-F162 HydrophobicContact CE1-CD1 4.05Å; F27-F162 HydrophobicContact CE1-CD2 4.17Å; F27-F162 HydrophobicContact CE1-CE1 4.49Å; F27-F162 AromaticContact CE1-CG 3.88Å; F27-F162 HydrophobicContact CE1-CG 3.88Å; F27-F162 HydrophobicContact CE2-CB 3.65Å; F27-F162 AromaticContact CE2-CD2 3.82Å; F27-F162 HydrophobicContact CE2-CD2 3.82Å; F27-F162 AromaticContact CE2-CG 3.85Å; F27-F162 HydrophobicContact CE2-CG 3.85Å; F27-F162 HydrophobicContact CG-CD1 4.47Å; F27-F162 AromaticContact CG-CD2 3.29Å; F27-F162 HydrophobicContact CG-CD2 3.29Å; F27-F162 AromaticContact CG-CE2 3.43Å; F27-F162 HydrophobicContact CG-CE2 3.43Å; F27-F162 VanDerWaalsContact CG-CE2 3.43Å; F27-F162 AromaticContact CG-CG 3.87Å; F27-F162 HydrophobicContact CG-CG 3.87Å; F27-F162 HydrophobicContact CG-CZ 4.09Å; F27-F162 HydrophobicContact CZ-CB 3.73Å; F27-F162 HydrophobicContact CZ-CD1 4.41Å; F27-F162 HydrophobicContact CZ-CD2 4.21Å; F27-F162 AromaticContact CZ-CG 3.87Å; F27-F162 HydrophobicContact CZ-CG 3.87Å; F27-L176 HydrophobicContact CE2-CD1 3.74Å; F27-L176 HydrophobicContact CE2-CD2 4.35Å; F27-L176 HydrophobicContact CZ-CD1 3.93Å; F27-L176 HydrophobicContact CZ-CD2 3.66Å; F27-L176 HydrophobicContact CZ-CG 4.45Å
28	V	94.4	Very high	92.7	Very high	38 Å²	38	58.8 Å²	58.8	23%	0.23	31%	0.311	C	S	.	.	H	α-helix	trans	-79.6	-41.1	-172.1	176.5	0	0	0	0	112.3	V24 Y44 I59	V24-V28 HydrophobicContact CG1-CG2 4.3Å; V24-V28 WeakPolarHBondContact O-CB 3.42Å; V24-V28 VanDerWaalsContact O-CG2 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.42Å; V28-Y44 HydrophobicContact CG1-CD1 4.33Å; V28-Y44 HydrophobicContact CG2-CG 4.48Å; V28-I59 HydrophobicContact CG2-CD1 4.09Å
29	K	93.3	Very high	92.2	Very high	130 Å²	130	59.7 Å²	59.7	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-112.8	-9.2	-171.4	-60.6	-173.8	-178.6	175	0	113.6	L25 T31	L25-K29 HydrophobicContact CD2-CD 3.96Å; L25-K29 WeakPolarHBondContact O-CA 3.44Å; L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 PolarHBondContact O-N 3.27Å; K29-T31 HydrophobicContact CB-CG2 4.22Å; K29-T31 PolarHBondContact O-N 3.26Å
30	G	93.9	Very high	91.6	Very high	47 Å²	47	65.1 Å²	65.1	49%	0.485	35%	0.347	S	S	.	.	S	Bend	trans	69.1	11.6	-173.5	0	0	0	0	0	113.4	L25 R26	L25-G30 PolarHBondContact O-N 3.47Å; R26-G30 PolarHBondContact NH1-O 2.95Å; R26-G30 WeakPolarHBondContact O-CA 3.14Å; R26-G30 PolarHBondContact O-N 2.76Å
31	T	93.4	Very high	91.1	Very high	62 Å²	62	68.1 Å²	68.1	38%	0.38	36%	0.361	S	S	.	.			trans	-107.8	150.6	-174.6	58.8	0	0	0	0	112.2	L25 R26 K29	L25-T31 CarbonylContact C-O 3.4Å; R26-T31 WeakPolarHBondContact CA-O 3.42Å; R26-T31 PolarHBondContact N-O 3.05Å; K29-T31 HydrophobicContact CB-CG2 4.22Å; K29-T31 PolarHBondContact O-N 3.26Å
32	F	94.1	Very high	90.9	Very high	57 Å²	57	71 Å²	71	25%	0.25	37%	0.374	C	S	.	.			trans	-134.2	150.5	171.3	173.8	-95.4	0	0	0	109.8	D34 A152 K153	F32-D34 WeakPolarHBondContact CE1-OD1 3.37Å; F32-A152 HydrophobicContact CD2-CB 4.18Å; F32-A152 HydrophobicContact CE2-CB 4.28Å; F32-K153 HydrophobicContact CD1-CG 4.38Å; F32-K153 HydrophobicContact CD2-CB 4.45Å; F32-K153 HydrophobicContact CE1-CB 4.07Å; F32-K153 HydrophobicContact CE1-CD 4.46Å; F32-K153 HydrophobicContact CE1-CG 3.77Å; F32-K153 HydrophobicContact CE2-CB 3.9Å; F32-K153 HydrophobicContact CE2-CG 4.5Å; F32-K153 HydrophobicContact CZ-CB 3.69Å; F32-K153 HydrophobicContact CZ-CD 4.4Å; F32-K153 HydrophobicContact CZ-CG 3.84Å
33	R	88.6	Confident	90.8	Very high	159 Å²	159	72.4 Å²	72.4	60%	0.6	38%	0.382	S	S	*	.			trans	-132.1	129.9	177.2	-64.1	-179.5	178.6	177.6	-2.5	108.1	S35	R33-S35 VanDerWaalsContact C-N 3.33Å
34	D	84.5	Confident	90.6	Very high	132 Å²	132	74 Å²	74	71%	0.706	39%	0.388	S	S	*	.	S	Bend	trans	-73.2	-27.4	175.4	-71.1	-74.7	0	0	0	112.4	F32	F32-D34 WeakPolarHBondContact CE1-OD1 3.37Å
35	S	85.9	Confident	90.5	Very high	79 Å²	79	81 Å²	81	55%	0.552	42%	0.415	S	S	*	.	S	Bend	trans	-74.1	128.7	179.1	61	0	0	0	0	111.8	R33	R33-S35 VanDerWaalsContact C-N 3.33Å
36	Y	81.5	Confident	90.2	Very high	142 Å²	142	82.5 Å²	82.5	56%	0.557	42%	0.421	S	S	*	.			trans	-82.4	120.5	172.5	-178.3	-121.3	0	0	0	111.3	P38	Y36-P38 HydrophobicContact CD1-CG 4.49Å; Y36-P38 HydrophobicContact CE1-CG 3.94Å
37	I	82.6	Confident	89.9	Confident	112 Å²	112	84.1 Å²	84.1	57%	0.574	44%	0.436	S	S	*	.			trans	-115.2	120	168.2	-61.3	170.7	0	0	0	106.2	T39	I37-T39 PolarHBondContact O-N 2.76Å
38	P	83.6	Confident	89.6	Confident	94 Å²	94	82.9 Å²	82.9	61%	0.61	43%	0.43	S	S	*	.			trans	-57.2	130.7	176.7	-26.2	34.6	0	0	0	112.3	Y36	Y36-P38 HydrophobicContact CD1-CG 4.49Å; Y36-P38 HydrophobicContact CE1-CG 3.94Å
39	T	85.9	Confident	89.3	Confident	22 Å²	22	81.4 Å²	81.4	14%	0.135	42%	0.422	C	S	.	.			trans	-87.6	141.1	179.9	-49.3	0	0	0	0	110.6	S21 I37 T63	S21-T39 PolarHBondContact OG-OG1 2.91Å; I37-T39 PolarHBondContact O-N 2.76Å; T39-T63 WeakPolarHBondContact O-CB 3.41Å; T39-T63 PolarHBondContact O-OG1 2.94Å
40	V	84.9	Confident	88.9	Confident	126 Å²	126	75.2 Å²	75.2	76%	0.764	40%	0.395	S	S	*	.			trans	-86.9	-74.1	168.8	-179.1	0	0	0	0	109	T63	V40-T63 WeakPolarHBondContact O-CB 3.23Å; V40-T63 PolarHBondContact O-N 3.23Å
41	E	87.6	Confident	88.4	Confident	73 Å²	73	76.5 Å²	76.5	34%	0.341	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	129.1	167.7	-174.1	174.9	107	0	0	106	T60 D61 Q67	E41-T60 HydrophobicContact CG-CG2 3.89Å; E41-D61 WeakPolarHBondContact CA-O 3.43Å; E41-Q67 PolarHBondContact OE2-NE2 2.77Å
42	D	91.5	Very high	87.6	Confident	84 Å²	84	82.9 Å²	82.9	45%	0.449	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.7	177.4	-82.9	-47.5	0	0	0	110	Y44 T60 D61	D42-Y44 HydrophobicContact CB-CD2 4.38Å; D42-Y44 HydrophobicContact CB-CE2 3.6Å; D42-T60 WeakPolarHBondContact O-CA 2.86Å; D42-D61 PolarHBondContact N-O 3.01Å; D42-D61 PolarHBondContact O-N 2.52Å
43	T	94.8	Very high	87.2	Confident	62 Å²	62	83.6 Å²	83.6	38%	0.38	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119	173.6	-62.2	0	0	0	0	110.4	Q58 I59 T60	T43-Q58 HydrophobicContact CG2-CB 4.11Å; T43-Q58 HydrophobicContact CG2-CG 4.49Å; T43-I59 WeakPolarHBondContact CA-O 3.31Å; T43-T60 PolarHBondContact OG1-OG1 2.82Å
44	Y	94.9	Very high	87.1	Confident	34 Å²	34	81.1 Å²	81.1	13%	0.133	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	148.4	176.4	-61.1	-95.8	0	0	0	110.2	V24 L25 V28 D42 Q58 I59 D61	V24-Y44 HydrophobicContact CG1-CD1 4.47Å; V24-Y44 HydrophobicContact CG1-CD2 3.3Å; V24-Y44 HydrophobicContact CG1-CE2 3.75Å; V24-Y44 HydrophobicContact CG1-CG 3.72Å; L25-Y44 HydrophobicContact CD2-CE1 3.61Å; L25-Y44 WeakPolarHBondContact CD2-OH 3.25Å; V28-Y44 HydrophobicContact CG1-CD1 4.33Å; V28-Y44 HydrophobicContact CG2-CG 4.48Å; D42-Y44 HydrophobicContact CB-CD2 4.38Å; D42-Y44 HydrophobicContact CB-CE2 3.6Å; Y44-Q58 CarbonylContact O-C 3.59Å; Y44-Q58 WeakPolarHBondContact O-CA 3.42Å; Y44-I59 PolarHBondContact N-O 2.85Å; Y44-I59 PolarHBondContact O-N 2.85Å; Y44-D61 HydrophobicContact CE2-CB 4.12Å
45	R	94.3	Very high	87.4	Confident	148 Å²	148	75.1 Å²	75.1	56%	0.558	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.5	-177.6	-66.2	175.7	-176	-88.2	-9.2	110.2	D7 T56 L57 Q58	D7-R45 IonicContact OD2-NH1 3.66Å; R45-T56 HydrophobicContact CB-CG2 3.81Å; R45-T56 HydrophobicContact CG-CG2 3.96Å; R45-L57 CarbonylContact C-O 3.58Å; R45-L57 VanDerWaalsContact CA-O 3.3Å; R45-L57 WeakPolarHBondContact CA-O 3.49Å; R45-Q58 HydrophobicContact CG-CG 4.48Å
46	Q	90.9	Very high	87.7	Confident	60 Å²	60	73.2 Å²	73.2	28%	0.28	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.8	171	-166.3	172.1	52.9	0	0	109.8	T56 L57	Q46-T56 CarbonylContact O-C 3.46Å; Q46-L57 HydrophobicContact CB-CB 4.37Å; Q46-L57 PolarHBondContact N-O 3.42Å; Q46-L57 WeakPolarHBondContact O-CB 3.24Å; Q46-L57 PolarHBondContact O-N 2.79Å
47	V	91.1	Very high	88.4	Confident	80 Å²	80	66.5 Å²	66.5	49%	0.485	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.4	176.2	-177.1	0	0	0	0	108.9	I54 I178	V47-I54 HydrophobicContact CG1-CG2 3.22Å; V47-I178 HydrophobicContact CB-CD1 4.38Å; V47-I178 HydrophobicContact CG1-CD1 3.75Å
48	I	90.3	Very high	89	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	166	-178.4	63.4	168	0	0	0	111.1	I54 C55 L57 V174 S175 L176	I48-I54 WeakPolarHBondContact O-CA 3.45Å; I48-C55 WeakPolarHBondContact CG1-SG 3.38Å; I48-C55 PolarHBondContact N-O 3.3Å; I48-C55 PolarHBondContact O-N 3.31Å; I48-L57 HydrophobicContact CD1-CB 3.82Å; I48-L57 HydrophobicContact CD1-CD1 4.25Å; I48-L57 HydrophobicContact CG1-CB 4.12Å; I48-L57 HydrophobicContact CG2-CB 3.71Å; I48-L57 HydrophobicContact CG2-CD2 4.14Å; I48-V174 HydrophobicContact CD1-CG1 3.2Å; I48-V174 HydrophobicContact CG1-CG1 4.32Å; I48-S175 WeakPolarHBondContact CB-O 3.19Å; I48-L176 HydrophobicContact CG2-CD2 4.02Å
49	S	87.4	Confident	89.7	Confident	7 Å²	7	57.9 Å²	57.9	5%	0.049	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.1	169.5	-171.7	0	0	0	0	110.1	S53 V174 S175 Q177	S49-S53 CarbonylContact C-O 3.57Å; S49-S53 WeakPolarHBondContact CA-O 3.48Å; S49-V174 CarbonylContact O-C 3.58Å; S49-V174 WeakPolarHBondContact O-CA 3.4Å; S49-S175 WeakPolarHBondContact CB-OG 3.33Å; S49-S175 PolarHBondContact N-O 3.42Å; S49-S175 PolarHBondContact O-N 2.88Å; S49-Q177 WeakPolarHBondContact CB-O 3.47Å
50	C	85	Confident	90.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	117.7	174.1	-173.6	0	0	0	0	109.8	K52 S53 C55 T173	C50-K52 VanDerWaalsContact C-N 3.28Å; C50-K52 PolarHBondContact O-N 3.5Å; C50-S53 PolarHBondContact N-O 2.99Å; C50-S53 CarbonylContact O-C 3.59Å; C50-S53 WeakPolarHBondContact O-CA 3.39Å; C50-S53 WeakPolarHBondContact O-CB 3.44Å; C50-S53 PolarHBondContact O-N 3Å; C50-C55 HydrophobicContact CB-CB 3.87Å; C50-C55 WeakPolarHBondContact CB-SG 3.43Å; C50-T173 CarbonylContact C-O 3.59Å; C50-T173 VanDerWaalsContact CA-O 3.23Å; C50-T173 WeakPolarHBondContact CA-O 3.47Å
51	D	83.9	Confident	90.7	Very high	74 Å²	74	51.7 Å²	51.7	40%	0.396	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	44.3	178.4	-58.2	-45.3	0	0	0	113.5	S53 T173	D51-S53 PolarHBondContact O-N 3.26Å; D51-T173 PolarHBondContact N-O 3.42Å; D51-T173 PolarHBondContact OD1-N 3.17Å
52	K	77.3	Confident	91	Very high	196 Å²	196	48.3 Å²	48.3	85%	0.852	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	9.9	-176.1	-49.8	170.4	-178.2	170.2	0	114.6	C50	C50-K52 VanDerWaalsContact C-N 3.28Å; C50-K52 PolarHBondContact O-N 3.5Å
53	S	84.1	Confident	90.7	Very high	71 Å²	71	45.4 Å²	45.4	50%	0.497	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	177.7	171.1	-59.5	0	0	0	0	110.2	S49 C50 D51	S49-S53 CarbonylContact C-O 3.57Å; S49-S53 WeakPolarHBondContact CA-O 3.48Å; C50-S53 PolarHBondContact N-O 2.99Å; C50-S53 CarbonylContact O-C 3.59Å; C50-S53 WeakPolarHBondContact O-CA 3.39Å; C50-S53 WeakPolarHBondContact O-CB 3.44Å; C50-S53 PolarHBondContact O-N 3Å; D51-S53 PolarHBondContact O-N 3.26Å
54	I	87.2	Confident	89.9	Confident	107 Å²	107	43.1 Å²	43.1	55%	0.549	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.9	174.8	-63.6	175.8	0	0	0	108.8	V47 I48 I178	V47-I54 HydrophobicContact CG1-CG2 3.22Å; I48-I54 WeakPolarHBondContact O-CA 3.45Å; I54-I178 HydrophobicContact CD1-CG2 4.29Å; I54-I178 HydrophobicContact CG1-CG2 4.3Å
55	C	90.1	Very high	88.9	Confident	7 Å²	7	45 Å²	45	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	174.1	166.6	84.7	0	0	0	0	112.2	N6 I48 C50	N6-C55 HydrophobicContact CB-CB 4.17Å; N6-C55 WeakPolarHBondContact O-CB 3.28Å; I48-C55 WeakPolarHBondContact CG1-SG 3.38Å; I48-C55 PolarHBondContact N-O 3.3Å; I48-C55 PolarHBondContact O-N 3.31Å; C50-C55 HydrophobicContact CB-CB 3.87Å; C50-C55 WeakPolarHBondContact CB-SG 3.43Å
56	T	92.8	Very high	88	Confident	39 Å²	39	45.6 Å²	45.6	24%	0.239	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.5	176.5	-48.2	0	0	0	0	110.2	D7 Y8 R45 Q46 Q58	D7-T56 CarbonylContact C-O 3.59Å; D7-T56 VanDerWaalsContact CA-O 3.28Å; D7-T56 WeakPolarHBondContact CA-O 3.46Å; D7-T56 VanDerWaalsContact OD1-CB 3.28Å; D7-T56 WeakPolarHBondContact OD1-CB 3.19Å; D7-T56 PolarHBondContact OD1-OG1 2.85Å; Y8-T56 PolarHBondContact N-O 2.92Å; R45-T56 HydrophobicContact CB-CG2 3.81Å; R45-T56 HydrophobicContact CG-CG2 3.96Å; Q46-T56 CarbonylContact O-C 3.46Å; T56-Q58 HydrophobicContact CG2-CG 4.32Å; T56-Q58 PolarHBondContact O-N 2.89Å
57	L	95.3	Very high	87.4	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	112.2	159.6	-172.2	56.3	0	0	0	108.6	Y8 V10 F27 R45 Q46 I48 I59 L166 L176	Y8-L57 HydrophobicContact CD1-CD1 3.88Å; Y8-L57 CarbonylContact O-C 3.56Å; Y8-L57 WeakPolarHBondContact O-CA 3.17Å; V10-L57 HydrophobicContact CG2-CD1 3.72Å; F27-L57 HydrophobicContact CE1-CD2 4.13Å; F27-L57 HydrophobicContact CZ-CD2 4.46Å; R45-L57 CarbonylContact C-O 3.58Å; R45-L57 VanDerWaalsContact CA-O 3.3Å; R45-L57 WeakPolarHBondContact CA-O 3.49Å; Q46-L57 HydrophobicContact CB-CB 4.37Å; Q46-L57 PolarHBondContact N-O 3.42Å; Q46-L57 WeakPolarHBondContact O-CB 3.24Å; Q46-L57 PolarHBondContact O-N 2.79Å; I48-L57 HydrophobicContact CD1-CB 3.82Å; I48-L57 HydrophobicContact CD1-CD1 4.25Å; I48-L57 HydrophobicContact CG1-CB 4.12Å; I48-L57 HydrophobicContact CG2-CB 3.71Å; I48-L57 HydrophobicContact CG2-CD2 4.14Å; L57-I59 HydrophobicContact CD2-CD1 3.97Å; L57-I59 HydrophobicContact CD2-CG1 4.15Å; L57-I59 HydrophobicContact CG-CD1 4.22Å; L57-I59 HydrophobicContact CG-CG1 3.88Å; L57-L166 HydrophobicContact CD1-CD2 4.26Å; L57-L176 HydrophobicContact CD2-CD2 4.17Å
58	Q	97.1	Very high	87.2	Confident	23 Å²	23	47.5 Å²	47.5	11%	0.107	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.5	167.5	-64.8	-172.5	-1.9	0	0	109	D7 Y8 R9 V10 T43 Y44 R45 T56	D7-Q58 HydrophobicContact CB-CG 4.28Å; D7-Q58 PolarHBondContact OD2-NE2 3.34Å; Y8-Q58 PolarHBondContact O-N 2.83Å; R9-Q58 CarbonylContact C-O 3.48Å; R9-Q58 WeakPolarHBondContact CA-O 3.4Å; R9-Q58 HydrophobicContact CG-CB 4.23Å; V10-Q58 PolarHBondContact N-O 3.35Å; T43-Q58 HydrophobicContact CG2-CB 4.11Å; T43-Q58 HydrophobicContact CG2-CG 4.49Å; Y44-Q58 CarbonylContact O-C 3.59Å; Y44-Q58 WeakPolarHBondContact O-CA 3.42Å; R45-Q58 HydrophobicContact CG-CG 4.48Å; T56-Q58 HydrophobicContact CG2-CG 4.32Å; T56-Q58 PolarHBondContact O-N 2.89Å
59	I	97.8	Very high	87.1	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	110.8	176.7	-52.5	168.4	0	0	0	107.6	V10 V12 V24 F27 V28 T43 Y44 L57 F162	V10-I59 HydrophobicContact CB-CG1 4.49Å; V10-I59 CarbonylContact O-C 3.54Å; V10-I59 WeakPolarHBondContact O-CA 3.21Å; V12-I59 HydrophobicContact CG2-CG2 3.83Å; V24-I59 HydrophobicContact CG1-CB 4.39Å; V24-I59 HydrophobicContact CG1-CG2 3.93Å; V24-I59 HydrophobicContact CG2-CG2 3.8Å; F27-I59 HydrophobicContact CD1-CD1 3.63Å; F27-I59 HydrophobicContact CE1-CD1 3.63Å; V28-I59 HydrophobicContact CG2-CD1 4.09Å; T43-I59 WeakPolarHBondContact CA-O 3.31Å; Y44-I59 PolarHBondContact N-O 2.85Å; Y44-I59 PolarHBondContact O-N 2.85Å; L57-I59 HydrophobicContact CD2-CD1 3.97Å; L57-I59 HydrophobicContact CD2-CG1 4.15Å; L57-I59 HydrophobicContact CG-CD1 4.22Å; L57-I59 HydrophobicContact CG-CG1 3.88Å; I59-F162 HydrophobicContact CD1-CD1 4.06Å; I59-F162 HydrophobicContact CD1-CE1 3.66Å; I59-F162 HydrophobicContact CD1-CZ 4.33Å; I59-F162 HydrophobicContact CG1-CE1 4.27Å; I59-F162 HydrophobicContact CG2-CE1 4.13Å
60	T	96.8	Very high	87.2	Confident	18 Å²	18	54.9 Å²	54.9	11%	0.11	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111	176.3	-58.4	0	0	0	0	109.2	V10 V12 E41 D42 T43 T62	V10-T60 PolarHBondContact O-N 2.71Å; V12-T60 PolarHBondContact N-O 2.98Å; E41-T60 HydrophobicContact CG-CG2 3.89Å; D42-T60 WeakPolarHBondContact O-CA 2.86Å; T43-T60 PolarHBondContact OG1-OG1 2.82Å; T60-T62 HydrophobicContact CG2-CG2 4.23Å
61	D	94.9	Very high	87.5	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	109.3	169	-178.5	29.7	0	0	0	108.6	K20 S21 V24 E41 D42 Y44	K20-D61 VanDerWaalsContact CB-OD1 3.31Å; K20-D61 WeakPolarHBondContact CB-OD1 3.42Å; S21-D61 WeakPolarHBondContact CA-OD2 3.46Å; S21-D61 WeakPolarHBondContact CB-OD2 3.38Å; S21-D61 PolarHBondContact N-OD1 3.37Å; S21-D61 VanDerWaalsContact OG-CG 3.32Å; S21-D61 PolarHBondContact OG-OD1 2.81Å; S21-D61 PolarHBondContact OG-OD2 2.91Å; V24-D61 HydrophobicContact CG2-CB 4.33Å; E41-D61 WeakPolarHBondContact CA-O 3.43Å; D42-D61 PolarHBondContact N-O 3.01Å; D42-D61 PolarHBondContact O-N 2.52Å; Y44-D61 HydrophobicContact CE2-CB 4.12Å
62	T	93.4	Very high	87.9	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	159.1	-175.3	72.9	0	0	0	0	111.4	V11 V12 F13 K20 T60	V11-T62 HydrophobicContact CG1-CG2 3.69Å; V12-T62 WeakPolarHBondContact O-CG2 3.41Å; V12-T62 PolarHBondContact O-OG1 3.37Å; F13-T62 HydrophobicContact CD1-CG2 3.93Å; F13-T62 HydrophobicContact CE1-CG2 3.77Å; K20-T62 WeakPolarHBondContact CE-O 3.48Å; T60-T62 HydrophobicContact CG2-CG2 4.23Å
63	T	86.3	Confident	88.7	Confident	24 Å²	24	52.8 Å²	52.8	15%	0.147	29%	0.288	C	S	.	.			trans	-57.4	153.8	158	-159.7	0	0	0	0	109.5	T39 V40 H66 Q67	T39-T63 WeakPolarHBondContact O-CB 3.41Å; T39-T63 PolarHBondContact O-OG1 2.94Å; V40-T63 WeakPolarHBondContact O-CB 3.23Å; V40-T63 PolarHBondContact O-N 3.23Å; T63-H66 HydrophobicContact CG2-CB 4.34Å; T63-Q67 HydrophobicContact CG2-CB 3.47Å; T63-Q67 VanDerWaalsContact CG2-CB 3.47Å; T63-Q67 HydrophobicContact CG2-CG 3.96Å
64	G	77.8	Confident	89.2	Confident	13 Å²	13	52.9 Å²	52.9	13%	0.134	28%	0.283	C	S	.	.	S	Bend	trans	-69.1	-128.8	178.5	0	0	0	0	0	112.4	G14 K20 H66 Q67	G14-G64 VanDerWaalsContact O-CA 3.3Å; G14-G64 WeakPolarHBondContact O-CA 3.48Å; K20-G64 VanDerWaalsContact NZ-CA 3.29Å; G64-H66 PolarHBondContact O-N 2.8Å; G64-Q67 PolarHBondContact O-N 2.78Å
65	S	73.1	Confident	89.5	Confident	73 Å²	73	48.5 Å²	48.5	51%	0.51	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	2.3	-175.9	-38.3	0	0	0	0	114.5	A15 E96	A15-S65 WeakPolarHBondContact CA-OG 3.39Å; S65-E96 PolarHBondContact OG-OE2 2.86Å
66	H	75.9	Confident	89.8	Confident	162 Å²	162	48.1 Å²	48.1	75%	0.75	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	8.1	-177.9	-58.8	-59.4	0	0	0	114.4	T63 G64 F68	T63-H66 HydrophobicContact CG2-CB 4.34Å; G64-H66 PolarHBondContact O-N 2.8Å; H66-F68 PolarHBondContact O-N 3.04Å
67	Q	78.2	Confident	89.9	Confident	22 Å²	22	49.7 Å²	49.7	10%	0.103	27%	0.272	C	S	.	.			trans	-72.4	131.9	-178	-157.9	176.8	27.1	0	0	110.4	E41 T63 G64 M71	E41-Q67 PolarHBondContact OE2-NE2 2.77Å; T63-Q67 HydrophobicContact CG2-CB 3.47Å; T63-Q67 VanDerWaalsContact CG2-CB 3.47Å; T63-Q67 HydrophobicContact CG2-CG 3.96Å; G64-Q67 PolarHBondContact O-N 2.78Å; Q67-M71 HydrophobicContact CG-CB 4.2Å
68	F	85.9	Confident	89.9	Confident	158 Å²	158	55 Å²	55	69%	0.693	30%	0.295	S	S	*	.			trans	-58.6	131.5	173.8	-72.1	-80.4	0	0	0	110.2	H66 A70 M71 Q72	H66-F68 PolarHBondContact O-N 3.04Å; F68-A70 PolarHBondContact O-N 3.12Å; F68-A70 VanDerWaalsContact O-N 3.08Å; F68-M71 HydrophobicContact CB-CB 4.39Å; F68-M71 HydrophobicContact CB-CG 4.17Å; F68-M71 WeakPolarHBondContact O-CA 3.35Å; F68-M71 WeakPolarHBondContact O-CB 3.33Å; F68-M71 PolarHBondContact O-N 2.95Å; F68-Q72 PolarHBondContact O-N 3.07Å; F68-Q72 VanDerWaalsContact O-N 3.07Å
69	P	88.5	Confident	89.8	Confident	88 Å²	88	54 Å²	54	57%	0.571	29%	0.29	S	S	*	.	H	α-helix	trans	-54.3	-36	-175.4	-30.5	35.5	0	0	0	114.4	Q72 R73	P69-Q72 PolarHBondContact O-N 3.21Å; P69-R73 WeakPolarHBondContact O-CG 3.46Å; P69-R73 PolarHBondContact O-N 3.41Å
70	A	90.4	Very high	89.7	Confident	74 Å²	74	56.1 Å²	56.1	61%	0.612	30%	0.3	S	S	*	.	H	α-helix	trans	-63.8	-40	176.1	0	0	0	0	0	112.5	F68 R73 L74	F68-A70 PolarHBondContact O-N 3.12Å; F68-A70 VanDerWaalsContact O-N 3.08Å; A70-R73 PolarHBondContact O-N 2.86Å; A70-L74 WeakPolarHBondContact O-CB 3.48Å; A70-L74 PolarHBondContact O-N 2.78Å
71	M	90.5	Very high	89.7	Confident	79 Å²	79	55.2 Å²	55.2	39%	0.389	30%	0.295	S	S	.	.	H	α-helix	trans	-70	-38.4	177.4	-67.2	-60.9	-69.7	0	0	111.7	Q67 F68 L74 S75	Q67-M71 HydrophobicContact CG-CB 4.2Å; F68-M71 HydrophobicContact CB-CB 4.39Å; F68-M71 HydrophobicContact CB-CG 4.17Å; F68-M71 WeakPolarHBondContact O-CA 3.35Å; F68-M71 WeakPolarHBondContact O-CB 3.33Å; F68-M71 PolarHBondContact O-N 2.95Å; M71-L74 PolarHBondContact O-N 3.42Å; M71-S75 WeakPolarHBondContact O-CB 3.36Å; M71-S75 PolarHBondContact O-N 2.86Å; M71-S75 PolarHBondContact O-OG 2.78Å
72	Q	93.1	Very high	89.8	Confident	29 Å²	29	55.2 Å²	55.2	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-47.7	172.4	-174.6	-173.5	-29.9	0	0	110.9	F13 F68 P69 L74 S75 I76	F13-Q72 HydrophobicContact CE1-CG 3.81Å; F13-Q72 HydrophobicContact CZ-CG 4.06Å; F68-Q72 PolarHBondContact O-N 3.07Å; F68-Q72 VanDerWaalsContact O-N 3.07Å; P69-Q72 PolarHBondContact O-N 3.21Å; Q72-L74 VanDerWaalsContact C-N 3.32Å; Q72-L74 PolarHBondContact O-N 2.86Å; Q72-S75 PolarHBondContact O-N 3.42Å; Q72-I76 HydrophobicContact CG-CD1 4.07Å; Q72-I76 VanDerWaalsContact O-CG1 3.3Å; Q72-I76 WeakPolarHBondContact O-CG1 3.25Å; Q72-I76 PolarHBondContact O-N 2.88Å
73	R	93.6	Very high	90.1	Very high	117 Å²	117	55.2 Å²	55.2	44%	0.442	30%	0.295	S	S	.	.	H	α-helix	trans	-58.7	-42.1	175.8	-73.2	-175	-174	-89.4	-3	112.1	P69 A70 I76 S77 I107	P69-R73 WeakPolarHBondContact O-CG 3.46Å; P69-R73 PolarHBondContact O-N 3.41Å; A70-R73 PolarHBondContact O-N 2.86Å; R73-I76 PolarHBondContact O-N 3.34Å; R73-S77 WeakPolarHBondContact O-CB 3.13Å; R73-S77 PolarHBondContact O-N 2.65Å; R73-I107 HydrophobicContact CB-CD1 4.15Å; R73-I107 HydrophobicContact CG-CD1 4.03Å
74	L	93.8	Very high	90.7	Very high	74 Å²	74	54 Å²	54	39%	0.387	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-43.2	176.9	-175.8	63	0	0	0	111.9	A70 M71 Q72 S77 K78	A70-L74 WeakPolarHBondContact O-CB 3.48Å; A70-L74 PolarHBondContact O-N 2.78Å; M71-L74 PolarHBondContact O-N 3.42Å; Q72-L74 VanDerWaalsContact C-N 3.32Å; Q72-L74 PolarHBondContact O-N 2.86Å; L74-S77 PolarHBondContact O-N 3.19Å; L74-K78 HydrophobicContact CD1-CD 4.17Å; L74-K78 HydrophobicContact CD1-CG 4.42Å; L74-K78 HydrophobicContact CG-CD 4.21Å; L74-K78 WeakPolarHBondContact O-CB 3.46Å; L74-K78 WeakPolarHBondContact O-CG 3.4Å; L74-K78 PolarHBondContact O-N 3.22Å
75	S	95	Very high	91.7	Very high	14 Å²	14	53.4 Å²	53.4	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-44.3	177	-60.3	0	0	0	0	111	M71 Q72 K78 G79	M71-S75 WeakPolarHBondContact O-CB 3.36Å; M71-S75 PolarHBondContact O-N 2.86Å; M71-S75 PolarHBondContact O-OG 2.78Å; Q72-S75 PolarHBondContact O-N 3.42Å; S75-K78 PolarHBondContact O-N 3.07Å; S75-G79 PolarHBondContact O-N 2.85Å
76	I	95.4	Very high	92.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-51.1	173.7	-64.9	168.5	0	0	0	110.1	F13 Q72 R73 K78 G79 F82 Q103 V104 I107 K108	F13-I76 HydrophobicContact CE2-CG1 3.8Å; F13-I76 HydrophobicContact CZ-CD1 4.48Å; F13-I76 HydrophobicContact CZ-CG1 3.81Å; Q72-I76 HydrophobicContact CG-CD1 4.07Å; Q72-I76 VanDerWaalsContact O-CG1 3.3Å; Q72-I76 WeakPolarHBondContact O-CG1 3.25Å; Q72-I76 PolarHBondContact O-N 2.88Å; R73-I76 PolarHBondContact O-N 3.34Å; I76-K78 VanDerWaalsContact C-N 3.26Å; I76-K78 PolarHBondContact O-N 3.43Å; I76-G79 PolarHBondContact O-N 2.89Å; I76-F82 HydrophobicContact CB-CE1 4.36Å; I76-F82 HydrophobicContact CB-CZ 4.4Å; I76-F82 HydrophobicContact CG1-CE1 4.26Å; I76-F82 HydrophobicContact CG2-CE1 4.39Å; I76-F82 HydrophobicContact CG2-CZ 4.01Å; I76-F82 WeakPolarHBondContact O-CZ 3.07Å; I76-Q103 HydrophobicContact CD1-CB 4.15Å; I76-Q103 HydrophobicContact CD1-CG 3.81Å; I76-V104 HydrophobicContact CD1-CG2 3.87Å; I76-V104 HydrophobicContact CG1-CG2 3.95Å; I76-V104 HydrophobicContact CG2-CB 4.45Å; I76-V104 HydrophobicContact CG2-CG2 4.16Å; I76-I107 HydrophobicContact CB-CD1 4Å; I76-I107 HydrophobicContact CD1-CD1 4.26Å; I76-I107 HydrophobicContact CG2-CB 3.7Å; I76-I107 HydrophobicContact CG2-CD1 3.83Å; I76-I107 HydrophobicContact CG2-CG1 4.33Å; I76-I107 HydrophobicContact CG2-CG2 3.76Å; I76-K108 WeakPolarHBondContact O-CE 3.31Å; I76-K108 PolarHBondContact O-NZ 3.47Å
77	S	94.9	Very high	94	Very high	71 Å²	71	42.4 Å²	42.4	50%	0.497	22%	0.223	S	C	.	.	H	α-helix	trans	-53.8	-43.7	179.7	179.3	0	0	0	0	112	R73 L74 K108	R73-S77 WeakPolarHBondContact O-CB 3.13Å; R73-S77 PolarHBondContact O-N 2.65Å; L74-S77 PolarHBondContact O-N 3.19Å; S77-K108 PolarHBondContact O-NZ 2.91Å
78	K	94.7	Very high	95	Very high	113 Å²	113	41.4 Å²	41.4	49%	0.491	22%	0.218	S	C	.	.	H	α-helix	trans	-81.5	-21.3	-179.3	-71.3	179.4	176.6	173.5	0	115.5	R9 L74 S75 I76	R9-K78 WeakPolarHBondContact CD-O 3.39Å; L74-K78 HydrophobicContact CD1-CD 4.17Å; L74-K78 HydrophobicContact CD1-CG 4.42Å; L74-K78 HydrophobicContact CG-CD 4.21Å; L74-K78 WeakPolarHBondContact O-CB 3.46Å; L74-K78 WeakPolarHBondContact O-CG 3.4Å; L74-K78 PolarHBondContact O-N 3.22Å; S75-K78 PolarHBondContact O-N 3.07Å; I76-K78 VanDerWaalsContact C-N 3.26Å; I76-K78 PolarHBondContact O-N 3.43Å
79	G	95.8	Very high	95.6	Very high	1 Å²	1	35 Å²	35	1%	0.01	19%	0.192	C	C	.	.			trans	-71.7	145.3	-176.8	0	0	0	0	0	113	S75 I76 K108	S75-G79 PolarHBondContact O-N 2.85Å; I76-G79 PolarHBondContact O-N 2.89Å; G79-K108 WeakPolarHBondContact O-CE 3.09Å; G79-K108 PolarHBondContact O-NZ 3.42Å
80	H	95.4	Very high	96	Very high	46 Å²	46	32.5 Å²	32.5	21%	0.213	18%	0.176	C	C	.	.	S	Bend	trans	-95.7	-34.2	173.2	-60.8	114.9	0	0	0	111.6	D7 Y8 R9	D7-H80 PolarHBondContact O-CE1 3.39Å; D7-H80 PolarHBondContact O-ND1 2.94Å; Y8-H80 HydrophobicContact CD2-CB 4.19Å; Y8-H80 HydrophobicContact CE1-CB 4.37Å; Y8-H80 HydrophobicContact CE2-CB 3.8Å; R9-H80 WeakPolarHBondContact CB-ND1 3.31Å; R9-H80 PolarHBondContact N-ND1 3.31Å; R9-H80 WeakPolarHBondContact O-CA 3.21Å; R9-H80 WeakPolarHBondContact O-CB 3.41Å; R9-H80 PolarHBondContact O-N 3.23Å
81	A	97	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	157.8	179.2	0	0	0	0	0	111.4	Y8 R9 V10 V11 P115 L165	Y8-A81 HydrophobicContact CE1-CB 3.97Å; R9-A81 PolarHBondContact O-N 3.21Å; R9-A81 VanDerWaalsContact O-N 3.12Å; V10-A81 WeakPolarHBondContact CA-O 3.28Å; V10-A81 HydrophobicContact CG2-CB 4.24Å; V11-A81 PolarHBondContact N-O 2.84Å; A81-P115 CarbonylContact C-O 3.57Å; A81-P115 WeakPolarHBondContact CA-O 3.43Å; A81-P115 HydrophobicContact CB-CB 3.78Å; A81-P115 HydrophobicContact CB-CG 4.29Å; A81-L165 HydrophobicContact CB-CD1 4.23Å; A81-L165 HydrophobicContact CB-CD2 4Å; A81-L165 HydrophobicContact CB-CG 4.07Å
82	F	98.2	Very high	96.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.5	-173.5	-57.9	-76.3	0	0	0	112.4	V11 F13 I76 V104 K108 C114 P115 I116 M117	V11-F82 HydrophobicContact CB-CD1 3.98Å; V11-F82 HydrophobicContact CB-CE1 4.09Å; V11-F82 HydrophobicContact CG2-CE1 4.18Å; V11-F82 WeakPolarHBondContact O-CA 3.28Å; F13-F82 HydrophobicContact CD2-CD1 4.23Å; F13-F82 AromaticContact CE2-CD1 3.8Å; F13-F82 HydrophobicContact CE2-CD1 3.8Å; F13-F82 HydrophobicContact CE2-CE1 4.13Å; I76-F82 HydrophobicContact CB-CE1 4.36Å; I76-F82 HydrophobicContact CB-CZ 4.4Å; I76-F82 HydrophobicContact CG1-CE1 4.26Å; I76-F82 HydrophobicContact CG2-CE1 4.39Å; I76-F82 HydrophobicContact CG2-CZ 4.01Å; I76-F82 WeakPolarHBondContact O-CZ 3.07Å; F82-V104 HydrophobicContact CD1-CG2 4.25Å; F82-V104 HydrophobicContact CD2-CG1 3.53Å; F82-V104 HydrophobicContact CD2-CG2 4.35Å; F82-V104 HydrophobicContact CE2-CG1 3.69Å; F82-V104 HydrophobicContact CG-CG1 4.14Å; F82-V104 HydrophobicContact CG-CG2 4.18Å; F82-V104 HydrophobicContact CZ-CG1 4.43Å; F82-K108 HydrophobicContact CE2-CD 4.38Å; F82-K108 HydrophobicContact CE2-CG 4.02Å; F82-C114 VanDerWaalsContact CD2-SG 3.59Å; F82-C114 WeakPolarHBondContact CE2-SG 3.07Å; F82-P115 PolarHBondContact N-O 3.39Å; F82-I116 HydrophobicContact CB-CG1 4.37Å; F82-I116 HydrophobicContact CD2-CG1 4.35Å; F82-I116 WeakPolarHBondContact O-CA 3.27Å; F82-M117 PolarHBondContact O-N 3.05Å
83	I	98.7	Very high	97	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.4	169.5	-57.8	179.3	0	0	0	107.4	V10 V11 V12 F13 V85 M117 V119 L161 F162 L165	V10-I83 HydrophobicContact CG1-CD1 3.81Å; V10-I83 HydrophobicContact CG1-CG1 3.88Å; V11-I83 PolarHBondContact O-N 2.97Å; V12-I83 WeakPolarHBondContact CA-O 3.14Å; V12-I83 HydrophobicContact CG1-CB 4.28Å; V12-I83 HydrophobicContact CG1-CG2 4.33Å; V12-I83 HydrophobicContact CG2-CB 4.31Å; V12-I83 HydrophobicContact CG2-CD1 4.28Å; F13-I83 PolarHBondContact N-O 2.85Å; I83-V85 HydrophobicContact CG2-CG2 3.67Å; I83-M117 WeakPolarHBondContact CA-O 3.35Å; I83-V119 HydrophobicContact CG2-CB 4.35Å; I83-V119 HydrophobicContact CG2-CG2 3.57Å; I83-L161 HydrophobicContact CD1-CD1 4.33Å; I83-L161 HydrophobicContact CD1-CD2 4.35Å; I83-L161 HydrophobicContact CD1-CG 4.3Å; I83-L161 HydrophobicContact CG2-CD1 4.39Å; I83-L161 HydrophobicContact CG2-CD2 4.46Å; I83-F162 HydrophobicContact CD1-CD1 4.1Å; I83-F162 HydrophobicContact CD1-CE1 3.64Å; I83-F162 HydrophobicContact CD1-CZ 4.03Å; I83-L165 HydrophobicContact CD1-CD2 3.86Å; I83-L165 HydrophobicContact CG1-CD2 3.57Å
84	L	98.5	Very high	97.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	103.2	179.1	-56.7	-173.9	0	0	0	108.6	F13 L97 I100 Y101 I116 M117 L118 V119 W143	F13-L84 HydrophobicContact CB-CD2 3.93Å; F13-L84 HydrophobicContact CD2-CD2 4.18Å; L84-L97 HydrophobicContact CB-CD1 3.99Å; L84-L97 HydrophobicContact CB-CD2 3.99Å; L84-L97 HydrophobicContact CB-CG 4.49Å; L84-I100 HydrophobicContact CD2-CG2 4.06Å; L84-Y101 HydrophobicContact CD1-CD2 4.18Å; L84-I116 HydrophobicContact CD1-CG2 3.9Å; L84-I116 HydrophobicContact CG-CG2 4.11Å; L84-M117 PolarHBondContact N-O 3.27Å; L84-L118 HydrophobicContact CB-CD1 4.34Å; L84-V119 PolarHBondContact O-N 3.04Å; L84-W143 HydrophobicContact CD1-CE3 4.38Å; L84-W143 HydrophobicContact CD1-CZ3 4.02Å
85	V	98.8	Very high	97.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.8	-171.8	-170.2	0	0	0	0	110.8	V12 F13 G14 V18 K20 L23 I83 V119 N121	V12-V85 HydrophobicContact CG1-CG2 3.66Å; F13-V85 PolarHBondContact O-N 2.84Å; G14-V85 VanDerWaalsContact CA-O 3.26Å; G14-V85 WeakPolarHBondContact CA-O 3.43Å; V18-V85 HydrophobicContact CB-CG1 4.29Å; V18-V85 HydrophobicContact CG2-CB 4.01Å; V18-V85 HydrophobicContact CG2-CG1 3.83Å; K20-V85 HydrophobicContact CG-CB 4.19Å; K20-V85 HydrophobicContact CG-CG2 4.3Å; L23-V85 HydrophobicContact CD1-CG1 3.92Å; L23-V85 HydrophobicContact CD1-CG2 4.04Å; I83-V85 HydrophobicContact CG2-CG2 3.67Å; V85-V119 WeakPolarHBondContact CA-O 3.43Å; V85-V119 HydrophobicContact CG2-CB 4.35Å; V85-N121 HydrophobicContact CG1-CB 3.81Å
86	Y	98.8	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	165.5	165.6	74.5	-83.8	0	0	0	110.2	V88 S93 L94 L97 L118 V119 N121 V131 F147	Y86-V88 HydrophobicContact CE2-CG1 4.35Å; Y86-S93 WeakPolarHBondContact CB-OG 3.34Å; Y86-L94 HydrophobicContact CD1-CD1 3.71Å; Y86-L94 HydrophobicContact CD2-CB 3.89Å; Y86-L94 HydrophobicContact CD2-CD1 4.43Å; Y86-L94 HydrophobicContact CE1-CD1 3.91Å; Y86-L94 HydrophobicContact CE2-CB 4.45Å; Y86-L94 HydrophobicContact CG-CB 3.95Å; Y86-L94 HydrophobicContact CG-CD1 3.99Å; Y86-L97 HydrophobicContact CD1-CD1 4.19Å; Y86-L97 HydrophobicContact CG-CD1 4.49Å; Y86-L118 HydrophobicContact CD1-CD1 3.91Å; Y86-L118 HydrophobicContact CD1-CG 4.38Å; Y86-L118 HydrophobicContact CE1-CD1 4.11Å; Y86-L118 HydrophobicContact CE1-CD2 4.48Å; Y86-L118 HydrophobicContact CE1-CG 4.09Å; Y86-V119 WeakPolarHBondContact CD1-O 3.1Å; Y86-V119 PolarHBondContact N-O 3.07Å; Y86-N121 PolarHBondContact O-N 3Å; Y86-V131 HydrophobicContact CE2-CB 3.95Å; Y86-V131 HydrophobicContact CE2-CG1 3.68Å; Y86-V131 HydrophobicContact CE2-CG2 4.26Å; Y86-F147 HydrophobicContact CE1-CE2 4.22Å
87	S	98.6	Very high	97.6	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.4	172	-165.1	0	0	0	0	109	T89 S90 S93 K122	S87-T89 PolarHBondContact O-N 3.37Å; S87-T89 PolarHBondContact OG-OG1 2.88Å; S87-S90 PolarHBondContact O-N 2.74Å; S87-S93 PolarHBondContact N-OG 3.28Å; S87-S93 PolarHBondContact O-OG 3.14Å; S87-K122 WeakPolarHBondContact OG-CD 3.31Å
88	V	98.8	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.4	174.7	-58.6	0	0	0	0	112.8	Y86 N121 K122 E130 V131	Y86-V88 HydrophobicContact CE2-CG1 4.35Å; V88-N121 PolarHBondContact N-O 3.47Å; V88-K122 WeakPolarHBondContact CG2-O 3.43Å; V88-E130 PolarHBondContact O-N 3.08Å; V88-V131 PolarHBondContact O-N 2.89Å
89	T	98.6	Very high	97.8	Very high	25 Å²	25	34.4 Å²	34.4	15%	0.153	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	10	177.7	70.2	0	0	0	0	113.9	S87 E125 A128	S87-T89 PolarHBondContact O-N 3.37Å; S87-T89 PolarHBondContact OG-OG1 2.88Å; T89-E125 HydrophobicContact CG2-CB 3.61Å; T89-E125 HydrophobicContact CG2-CG 4.44Å; T89-A128 VanDerWaalsContact CA-O 3.25Å; T89-A128 WeakPolarHBondContact CA-O 3.48Å; T89-A128 VanDerWaalsContact CB-O 3.28Å; T89-A128 WeakPolarHBondContact CB-O 3.45Å; T89-A128 HydrophobicContact CG2-CB 4Å
90	S	98.4	Very high	97.8	Very high	35 Å²	35	35.5 Å²	35.5	25%	0.245	17%	0.174	C	C	.	.			trans	-148.7	101.8	179.8	176.9	0	0	0	0	110.4	S87 Q92 S93 E130	S87-S90 PolarHBondContact O-N 2.74Å; S90-Q92 VanDerWaalsContact C-N 3.27Å; S90-Q92 PolarHBondContact O-N 2.87Å; S90-S93 WeakPolarHBondContact O-CB 3.3Å; S90-S93 PolarHBondContact O-N 3.48Å; S90-S93 VanDerWaalsContact O-N 3.11Å; S90-S93 PolarHBondContact O-OG 3.34Å; S90-S93 PolarHBondContact OG-N 2.92Å; S90-E130 VanDerWaalsContact CA-OE2 3.25Å; S90-E130 WeakPolarHBondContact CA-OE2 3.34Å
91	R	98.3	Very high	97.8	Very high	96 Å²	96	34.8 Å²	34.8	36%	0.362	17%	0.17	S	C	.	.	H	α-helix	trans	-59.6	-40.2	175.4	-179.1	165.2	-66.5	-88.9	-5.4	112.2	S93 L94 E95 E130 V131 D135	R91-S93 PolarHBondContact O-N 3.4Å; R91-L94 WeakPolarHBondContact O-CB 3.3Å; R91-L94 PolarHBondContact O-N 2.97Å; R91-E95 PolarHBondContact O-N 2.96Å; R91-E130 HydrophobicContact CB-CB 4.47Å; R91-E130 PolarHBondContact N-OE2 3.29Å; R91-E130 PolarHBondContact NH2-O 2.84Å; R91-V131 HydrophobicContact CB-CG2 4.01Å; R91-D135 IonicContact CZ-OD2 3.66Å; R91-D135 IonicContact NH1-OD2 3.67Å; R91-D135 IonicContact NH2-OD2 2.75Å; R91-D135 PolarHBondContact NH2-OD2 2.99Å
92	Q	98	Very high	97.7	Very high	123 Å²	123	39.7 Å²	39.7	58%	0.575	19%	0.193	S	C	*	.	H	α-helix	trans	-53.8	-40.8	174.8	-177.6	-177.4	-13.3	0	0	112	S90 L94 E95 E96	S90-Q92 VanDerWaalsContact C-N 3.27Å; S90-Q92 PolarHBondContact O-N 2.87Å; Q92-L94 PolarHBondContact O-N 3.32Å; Q92-E95 PolarHBondContact O-N 2.9Å; Q92-E95 VanDerWaalsContact O-N 3.12Å; Q92-E96 HydrophobicContact CG-CG 4.41Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.47Å; Q92-E96 PolarHBondContact NE2-OE1 3Å; Q92-E96 WeakPolarHBondContact O-CG 3.46Å; Q92-E96 PolarHBondContact O-N 3.39Å
93	S	98.4	Very high	97.6	Very high	4 Å²	4	41 Å²	41	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-25.9	-179.3	75.3	0	0	0	0	113.9	Y86 S87 S90 R91	Y86-S93 WeakPolarHBondContact CB-OG 3.34Å; S87-S93 PolarHBondContact N-OG 3.28Å; S87-S93 PolarHBondContact O-OG 3.14Å; S90-S93 WeakPolarHBondContact O-CB 3.3Å; S90-S93 PolarHBondContact O-N 3.48Å; S90-S93 VanDerWaalsContact O-N 3.11Å; S90-S93 PolarHBondContact O-OG 3.34Å; S90-S93 PolarHBondContact OG-N 2.92Å; R91-S93 PolarHBondContact O-N 3.4Å
94	L	98.6	Very high	97.4	Very high	13 Å²	13	41 Å²	41	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-75.6	-41.9	171.7	176.5	60.3	0	0	0	111	Y86 R91 Q92 E96 L97 L118 V131 T139	Y86-L94 HydrophobicContact CD1-CD1 3.71Å; Y86-L94 HydrophobicContact CD2-CB 3.89Å; Y86-L94 HydrophobicContact CD2-CD1 4.43Å; Y86-L94 HydrophobicContact CE1-CD1 3.91Å; Y86-L94 HydrophobicContact CE2-CB 4.45Å; Y86-L94 HydrophobicContact CG-CB 3.95Å; Y86-L94 HydrophobicContact CG-CD1 3.99Å; R91-L94 WeakPolarHBondContact O-CB 3.3Å; R91-L94 PolarHBondContact O-N 2.97Å; Q92-L94 PolarHBondContact O-N 3.32Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.24Å; L94-L97 HydrophobicContact CD1-CD1 4.39Å; L94-L97 WeakPolarHBondContact O-CB 3.21Å; L94-L97 PolarHBondContact O-N 3.25Å; L94-L97 VanDerWaalsContact O-N 3.17Å; L94-L118 HydrophobicContact CD1-CD1 4.03Å; L94-L118 HydrophobicContact CD1-CD2 4.34Å; L94-V131 HydrophobicContact CD2-CG1 3.88Å; L94-T139 HydrophobicContact CD1-CG2 4.3Å
95	E	97.6	Very high	97.2	Very high	124 Å²	124	42.2 Å²	42.2	58%	0.579	21%	0.207	S	C	*	.	H	α-helix	trans	-63.4	-38.6	179.2	-66.2	174	179.1	0	0	111.9	R91 Q92 L97 K98	R91-E95 PolarHBondContact O-N 2.96Å; Q92-E95 PolarHBondContact O-N 2.9Å; Q92-E95 VanDerWaalsContact O-N 3.12Å; E95-L97 PolarHBondContact O-N 3.49Å; E95-L97 VanDerWaalsContact O-N 3.16Å; E95-K98 WeakPolarHBondContact O-CB 3.39Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-K98 VanDerWaalsContact O-N 3.14Å
96	E	96.3	Very high	97	Very high	64 Å²	64	49 Å²	49	30%	0.299	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.6	176	-76.3	-176.6	-153.1	0	0	113.8	A15 S65 Q92 L94 P99	A15-E96 VanDerWaalsContact CB-OE2 3.27Å; A15-E96 WeakPolarHBondContact CB-OE2 3.22Å; S65-E96 PolarHBondContact OG-OE2 2.86Å; Q92-E96 HydrophobicContact CG-CG 4.41Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.47Å; Q92-E96 PolarHBondContact NE2-OE1 3Å; Q92-E96 WeakPolarHBondContact O-CG 3.46Å; Q92-E96 PolarHBondContact O-N 3.39Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.24Å; E96-P99 WeakPolarHBondContact O-CD 3.31Å
97	L	97.6	Very high	96.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-77	-22.1	176.5	-69.6	176.1	0	0	0	113.1	L84 Y86 L94 E95 I100 Y101 L118 W143	L84-L97 HydrophobicContact CB-CD1 3.99Å; L84-L97 HydrophobicContact CB-CD2 3.99Å; L84-L97 HydrophobicContact CB-CG 4.49Å; Y86-L97 HydrophobicContact CD1-CD1 4.19Å; Y86-L97 HydrophobicContact CG-CD1 4.49Å; L94-L97 HydrophobicContact CD1-CD1 4.39Å; L94-L97 WeakPolarHBondContact O-CB 3.21Å; L94-L97 PolarHBondContact O-N 3.25Å; L94-L97 VanDerWaalsContact O-N 3.17Å; E95-L97 PolarHBondContact O-N 3.49Å; E95-L97 VanDerWaalsContact O-N 3.16Å; L97-I100 HydrophobicContact CD2-CD1 4.38Å; L97-I100 WeakPolarHBondContact O-CB 3.47Å; L97-I100 PolarHBondContact O-N 3.14Å; L97-Y101 PolarHBondContact O-N 3.12Å; L97-L118 HydrophobicContact CD1-CD1 3.61Å; L97-W143 HydrophobicContact CB-CH2 3.77Å; L97-W143 HydrophobicContact CB-CZ3 4.09Å
98	K	97	Very high	96.6	Very high	108 Å²	108	54.4 Å²	54.4	47%	0.47	26%	0.264	S	S	.	.	H	α-helix	trans	-58.9	-49.5	-174.5	179.2	-175.8	172	-168.7	0	112.9	E95 I100 Y101 E102 W143	E95-K98 WeakPolarHBondContact O-CB 3.39Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-K98 VanDerWaalsContact O-N 3.14Å; K98-I100 VanDerWaalsContact C-N 3.27Å; K98-I100 PolarHBondContact O-N 3.15Å; K98-Y101 PolarHBondContact O-N 3.21Å; K98-E102 WeakPolarHBondContact CE-OE1 3.38Å; K98-E102 IonicContact NZ-OE1 3.59Å; K98-E102 WeakPolarHBondContact O-CG 3.33Å; K98-E102 PolarHBondContact O-N 3.41Å; K98-W143 HydrophobicContact CB-CH2 4.33Å; K98-W143 HydrophobicContact CB-CZ2 3.83Å; K98-W143 HydrophobicContact CG-CZ2 4.25Å
99	P	95.8	Very high	95.9	Very high	77 Å²	77	56.8 Å²	56.8	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-34.5	177.8	-21.9	34.3	0	0	0	112.8	E96 Q103	E96-P99 WeakPolarHBondContact O-CD 3.31Å; P99-Q103 WeakPolarHBondContact O-CB 3.42Å; P99-Q103 PolarHBondContact O-N 3.02Å
100	I	95.5	Very high	94.8	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.128	31%	0.312	C	S	.	.	H	α-helix	trans	-67	-47.5	178.1	-56.2	178.3	0	0	0	109.9	F13 L84 L97 K98 Q103 V104	F13-I100 HydrophobicContact CB-CD1 4.22Å; F13-I100 HydrophobicContact CB-CG2 3.9Å; F13-I100 HydrophobicContact CD1-CG2 4.38Å; F13-I100 HydrophobicContact CD2-CG2 3.86Å; F13-I100 HydrophobicContact CE2-CG2 4.47Å; F13-I100 HydrophobicContact CG-CG2 3.81Å; L84-I100 HydrophobicContact CD2-CG2 4.06Å; L97-I100 HydrophobicContact CD2-CD1 4.38Å; L97-I100 WeakPolarHBondContact O-CB 3.47Å; L97-I100 PolarHBondContact O-N 3.14Å; K98-I100 VanDerWaalsContact C-N 3.27Å; K98-I100 PolarHBondContact O-N 3.15Å; I100-Q103 PolarHBondContact O-N 2.93Å; I100-V104 WeakPolarHBondContact O-CG2 3.48Å; I100-V104 PolarHBondContact O-N 3.3Å
101	Y	96.4	Very high	93.4	Very high	30 Å²	30	62 Å²	62	12%	0.118	31%	0.309	C	S	.	.	H	α-helix	trans	-57.2	-50.2	175.8	169.6	-100.1	0	0	0	111.2	L84 L97 K98 Q103 V104 C105 V111 I116 W143	L84-Y101 HydrophobicContact CD1-CD2 4.18Å; L97-Y101 PolarHBondContact O-N 3.12Å; K98-Y101 PolarHBondContact O-N 3.21Å; Y101-Q103 VanDerWaalsContact C-N 3.26Å; Y101-Q103 PolarHBondContact O-N 3.28Å; Y101-V104 WeakPolarHBondContact O-CB 3.31Å; Y101-V104 PolarHBondContact O-N 2.8Å; Y101-V104 VanDerWaalsContact O-N 3.07Å; Y101-C105 VanDerWaalsContact CE2-SG 3.59Å; Y101-C105 PolarHBondContact O-N 3.36Å; Y101-C105 PolarHBondContact O-SG 3Å; Y101-V111 HydrophobicContact CE2-CG1 4.34Å; Y101-I116 HydrophobicContact CD2-CD1 4.24Å; Y101-I116 HydrophobicContact CE2-CD1 4.05Å; Y101-W143 HydrophobicContact CD1-CB 4.46Å; Y101-W143 AromaticContact CD1-CD2 3.72Å; Y101-W143 HydrophobicContact CD1-CD2 3.72Å; Y101-W143 AromaticContact CD1-CE2 3.95Å; Y101-W143 HydrophobicContact CD1-CE3 4.14Å; Y101-W143 AromaticContact CD1-CG 3.85Å; Y101-W143 HydrophobicContact CD1-CG 3.85Å; Y101-W143 HydrophobicContact CD2-CB 4.27Å; Y101-W143 HydrophobicContact CD2-CD2 4.04Å; Y101-W143 AromaticContact CD2-CE3 3.76Å; Y101-W143 HydrophobicContact CD2-CE3 3.76Å; Y101-W143 HydrophobicContact CD2-CG 4.28Å; Y101-W143 HydrophobicContact CD2-CZ3 4.46Å; Y101-W143 HydrophobicContact CE1-CB 3.95Å; Y101-W143 AromaticContact CE1-CD1 3.82Å; Y101-W143 HydrophobicContact CE1-CD2 4.07Å; Y101-W143 AromaticContact CE1-CG 3.67Å; Y101-W143 HydrophobicContact CE1-CG 3.67Å; Y101-W143 HydrophobicContact CE2-CB 3.73Å; Y101-W143 HydrophobicContact CE2-CD2 4.37Å; Y101-W143 HydrophobicContact CE2-CE3 4.39Å; Y101-W143 HydrophobicContact CE2-CG 4.12Å; Y101-W143 AromaticContact CG-CD2 3.72Å; Y101-W143 HydrophobicContact CG-CD2 3.72Å; Y101-W143 AromaticContact CG-CE3 3.63Å; Y101-W143 HydrophobicContact CG-CE3 3.63Å; Y101-W143 HydrophobicContact CG-CG 4.17Å; Y101-W143 HydrophobicContact CG-CZ3 4.08Å; Y101-W143 AromaticContact CZ-CG 3.83Å; Y101-W143 PolarHBondContact OH-O 2.96Å
102	E	95.4	Very high	92.1	Very high	103 Å²	103	63.4 Å²	63.4	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-58	-38.9	178	-72.2	172.4	173.2	0	0	112.1	K98 C105 Q106	K98-E102 WeakPolarHBondContact CE-OE1 3.38Å; K98-E102 IonicContact NZ-OE1 3.59Å; K98-E102 WeakPolarHBondContact O-CG 3.33Å; K98-E102 PolarHBondContact O-N 3.41Å; E102-C105 WeakPolarHBondContact O-CB 3.23Å; E102-C105 PolarHBondContact O-N 2.83Å; E102-Q106 WeakPolarHBondContact O-CB 3.4Å; E102-Q106 PolarHBondContact O-N 3.35Å
103	Q	95.2	Very high	91	Very high	27 Å²	27	60.2 Å²	60.2	13%	0.126	31%	0.309	C	S	.	.	H	α-helix	trans	-69.8	-36.1	176.4	-168.8	175.3	-50.2	0	0	112.8	I76 P99 I100 Y101 Q106 I107	I76-Q103 HydrophobicContact CD1-CB 4.15Å; I76-Q103 HydrophobicContact CD1-CG 3.81Å; P99-Q103 WeakPolarHBondContact O-CB 3.42Å; P99-Q103 PolarHBondContact O-N 3.02Å; I100-Q103 PolarHBondContact O-N 2.93Å; Y101-Q103 VanDerWaalsContact C-N 3.26Å; Y101-Q103 PolarHBondContact O-N 3.28Å; Q103-Q106 PolarHBondContact O-N 3.39Å; Q103-I107 HydrophobicContact CG-CD1 3.87Å; Q103-I107 WeakPolarHBondContact O-CG1 3.39Å; Q103-I107 PolarHBondContact O-N 2.95Å; Q103-I107 VanDerWaalsContact O-N 3.09Å
104	V	95.6	Very high	90.7	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-49.2	171.6	170.9	0	0	0	0	109.9	I76 F82 I100 Y101 Q106 I107 K108 I116	I76-V104 HydrophobicContact CD1-CG2 3.87Å; I76-V104 HydrophobicContact CG1-CG2 3.95Å; I76-V104 HydrophobicContact CG2-CB 4.45Å; I76-V104 HydrophobicContact CG2-CG2 4.16Å; F82-V104 HydrophobicContact CD1-CG2 4.25Å; F82-V104 HydrophobicContact CD2-CG1 3.53Å; F82-V104 HydrophobicContact CD2-CG2 4.35Å; F82-V104 HydrophobicContact CE2-CG1 3.69Å; F82-V104 HydrophobicContact CG-CG1 4.14Å; F82-V104 HydrophobicContact CG-CG2 4.18Å; F82-V104 HydrophobicContact CZ-CG1 4.43Å; I100-V104 WeakPolarHBondContact O-CG2 3.48Å; I100-V104 PolarHBondContact O-N 3.3Å; Y101-V104 WeakPolarHBondContact O-CB 3.31Å; Y101-V104 PolarHBondContact O-N 2.8Å; Y101-V104 VanDerWaalsContact O-N 3.07Å; V104-Q106 VanDerWaalsContact C-N 3.35Å; V104-Q106 PolarHBondContact O-N 3.38Å; V104-I107 PolarHBondContact O-N 2.89Å; V104-K108 HydrophobicContact CG1-CG 4.29Å; V104-K108 WeakPolarHBondContact O-CB 3.37Å; V104-K108 WeakPolarHBondContact O-CG 3.48Å; V104-K108 PolarHBondContact O-N 2.77Å; V104-I116 HydrophobicContact CG1-CD1 3.71Å; V104-I116 HydrophobicContact CG1-CG1 4.39Å
105	C	94.3	Very high	90.6	Very high	25 Å²	25	60.1 Å²	60.1	17%	0.169	31%	0.309	C	S	.	.	H	α-helix	trans	-57.9	-46.9	177.4	-58.1	0	0	0	0	111.6	Y101 E102 I107 G109 V111	Y101-C105 VanDerWaalsContact CE2-SG 3.59Å; Y101-C105 PolarHBondContact O-N 3.36Å; Y101-C105 PolarHBondContact O-SG 3Å; E102-C105 WeakPolarHBondContact O-CB 3.23Å; E102-C105 PolarHBondContact O-N 2.83Å; C105-I107 VanDerWaalsContact C-N 3.34Å; C105-I107 PolarHBondContact O-N 3.02Å; C105-G109 WeakPolarHBondContact O-CA 3.49Å; C105-G109 PolarHBondContact O-N 2.97Å; C105-V111 HydrophobicContact CB-CG2 3.71Å; C105-V111 WeakPolarHBondContact SG-CG2 3.4Å
106	Q	94.4	Very high	90.6	Very high	142 Å²	142	54.5 Å²	54.5	66%	0.664	28%	0.283	S	S	*	.	H	α-helix	trans	-60.4	-41.8	-179.8	-171.6	-176	26.7	0	0	112.6	E102 Q103 V104	E102-Q106 WeakPolarHBondContact O-CB 3.4Å; E102-Q106 PolarHBondContact O-N 3.35Å; Q103-Q106 PolarHBondContact O-N 3.39Å; V104-Q106 VanDerWaalsContact C-N 3.35Å; V104-Q106 PolarHBondContact O-N 3.38Å
107	I	95.3	Very high	90.7	Very high	57 Å²	57	51.6 Å²	51.6	29%	0.292	27%	0.269	S	S	.	.	H	α-helix	trans	-83	-33.8	-174.6	-66.5	170.6	0	0	0	111.8	R73 I76 Q103 V104 C105	R73-I107 HydrophobicContact CB-CD1 4.15Å; R73-I107 HydrophobicContact CG-CD1 4.03Å; I76-I107 HydrophobicContact CB-CD1 4Å; I76-I107 HydrophobicContact CD1-CD1 4.26Å; I76-I107 HydrophobicContact CG2-CB 3.7Å; I76-I107 HydrophobicContact CG2-CD1 3.83Å; I76-I107 HydrophobicContact CG2-CG1 4.33Å; I76-I107 HydrophobicContact CG2-CG2 3.76Å; Q103-I107 HydrophobicContact CG-CD1 3.87Å; Q103-I107 WeakPolarHBondContact O-CG1 3.39Å; Q103-I107 PolarHBondContact O-N 2.95Å; Q103-I107 VanDerWaalsContact O-N 3.09Å; V104-I107 PolarHBondContact O-N 2.89Å; C105-I107 VanDerWaalsContact C-N 3.34Å; C105-I107 PolarHBondContact O-N 3.02Å
108	K	92.8	Very high	90.7	Very high	62 Å²	62	51.6 Å²	51.6	27%	0.27	27%	0.269	S	S	.	.	H	α-helix	trans	-88.9	-18.4	-179	-65.1	-63.8	179.2	-169.3	0	113.9	I76 S77 G79 F82 V104 E110 C114	I76-K108 WeakPolarHBondContact O-CE 3.31Å; I76-K108 PolarHBondContact O-NZ 3.47Å; S77-K108 PolarHBondContact O-NZ 2.91Å; G79-K108 WeakPolarHBondContact O-CE 3.09Å; G79-K108 PolarHBondContact O-NZ 3.42Å; F82-K108 HydrophobicContact CE2-CD 4.38Å; F82-K108 HydrophobicContact CE2-CG 4.02Å; V104-K108 HydrophobicContact CG1-CG 4.29Å; V104-K108 WeakPolarHBondContact O-CB 3.37Å; V104-K108 WeakPolarHBondContact O-CG 3.48Å; V104-K108 PolarHBondContact O-N 2.77Å; K108-E110 PolarHBondContact O-N 3.46Å; K108-C114 HydrophobicContact CB-CB 4.41Å
109	G	84.8	Confident	90.8	Very high	50 Å²	50	46.4 Å²	46.4	52%	0.515	25%	0.247	S	C	.	.	S	Bend	trans	76.6	-101.6	-175	0	0	0	0	0	110.9	C105 V111	C105-G109 WeakPolarHBondContact O-CA 3.49Å; C105-G109 PolarHBondContact O-N 2.97Å; G109-V111 PolarHBondContact O-N 2.9Å; G109-V111 VanDerWaalsContact O-N 3.12Å
110	E	75.8	Confident	91	Very high	140 Å²	140	42.8 Å²	42.8	65%	0.654	22%	0.223	S	C	*	.			trans	-78.3	98.2	-173.7	-67.9	179.1	-168	0	0	112.4	K108 E112 T113	K108-E110 PolarHBondContact O-N 3.46Å; E110-E112 PolarHBondContact O-N 3.26Å; E110-E112 VanDerWaalsContact O-N 3.16Å; E110-T113 HydrophobicContact CB-CG2 4.07Å; E110-T113 PolarHBondContact O-N 3.38Å; E110-T113 PolarHBondContact O-OG1 3.09Å
111	V	67.8	Low	91.1	Very high	29 Å²	29	41.7 Å²	41.7	18%	0.176	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-52.5	-35.4	176.7	-173.2	0	0	0	0	112.4	Y101 C105 G109 T113 C114 I116	Y101-V111 HydrophobicContact CE2-CG1 4.34Å; C105-V111 HydrophobicContact CB-CG2 3.71Å; C105-V111 WeakPolarHBondContact SG-CG2 3.4Å; G109-V111 PolarHBondContact O-N 2.9Å; G109-V111 VanDerWaalsContact O-N 3.12Å; V111-T113 PolarHBondContact O-N 3.3Å; V111-C114 PolarHBondContact O-N 2.9Å; V111-C114 VanDerWaalsContact O-O 3.05Å; V111-I116 HydrophobicContact CG1-CD1 3.89Å
112	E	70.8	Confident	91.2	Very high	125 Å²	125	42.9 Å²	42.9	58%	0.584	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-66.2	-11.9	-177.8	-60.2	-175.1	179.5	0	0	113.9	E110 K144 K170	E110-E112 PolarHBondContact O-N 3.26Å; E110-E112 VanDerWaalsContact O-N 3.16Å; E112-K144 IonicContact OE1-NZ 2.78Å; E112-K144 PolarHBondContact OE1-NZ 2.9Å; E112-K170 PolarHBondContact O-NZ 3.22Å; E112-K170 VanDerWaalsContact O-NZ 3.11Å
113	T	76.6	Confident	91.4	Very high	56 Å²	56	38.9 Å²	38.9	34%	0.344	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-105.7	-11.7	176	71.5	0	0	0	0	113.4	E110 V111	E110-T113 HydrophobicContact CB-CG2 4.07Å; E110-T113 PolarHBondContact O-N 3.38Å; E110-T113 PolarHBondContact O-OG1 3.09Å; V111-T113 PolarHBondContact O-N 3.3Å
114	C	91	Very high	91.5	Very high	11 Å²	11	40 Å²	40	7%	0.074	21%	0.213	C	C	.	.	S	Bend	trans	-106	116.8	-177.8	-172.3	0	0	0	0	110	F82 K108 V111 I116	F82-C114 VanDerWaalsContact CD2-SG 3.59Å; F82-C114 WeakPolarHBondContact CE2-SG 3.07Å; K108-C114 HydrophobicContact CB-CB 4.41Å; V111-C114 PolarHBondContact O-N 2.9Å; V111-C114 VanDerWaalsContact O-O 3.05Å; C114-I116 PolarHBondContact O-N 3.47Å; C114-I116 VanDerWaalsContact O-N 3.13Å
115	P	96.1	Very high	91.6	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.026	23%	0.229	C	C	.	.			trans	-61.6	118.4	177.2	-26.4	36.9	0	0	0	111.6	A81 F82 L165 L168 E169	A81-P115 CarbonylContact C-O 3.57Å; A81-P115 WeakPolarHBondContact CA-O 3.43Å; A81-P115 HydrophobicContact CB-CB 3.78Å; A81-P115 HydrophobicContact CB-CG 4.29Å; F82-P115 PolarHBondContact N-O 3.39Å; P115-L165 HydrophobicContact CB-CD1 3.99Å; P115-L165 HydrophobicContact CB-CG 4.49Å; P115-L168 HydrophobicContact CB-CB 3.87Å; P115-L168 HydrophobicContact CG-CB 4.17Å; P115-E169 HydrophobicContact CG-CB 4.13Å
116	I	97.7	Very high	91.7	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.4	173.5	-56.4	177.6	0	0	0	108.2	F82 L84 Y101 V104 V111 C114 C145 A146	F82-I116 HydrophobicContact CB-CG1 4.37Å; F82-I116 HydrophobicContact CD2-CG1 4.35Å; F82-I116 WeakPolarHBondContact O-CA 3.27Å; L84-I116 HydrophobicContact CD1-CG2 3.9Å; L84-I116 HydrophobicContact CG-CG2 4.11Å; Y101-I116 HydrophobicContact CD2-CD1 4.24Å; Y101-I116 HydrophobicContact CE2-CD1 4.05Å; V104-I116 HydrophobicContact CG1-CD1 3.71Å; V104-I116 HydrophobicContact CG1-CG1 4.39Å; V111-I116 HydrophobicContact CG1-CD1 3.89Å; C114-I116 PolarHBondContact O-N 3.47Å; C114-I116 VanDerWaalsContact O-N 3.13Å; I116-C145 HydrophobicContact CB-CB 3.9Å; I116-C145 HydrophobicContact CG2-CB 3.91Å; I116-C145 WeakPolarHBondContact O-CB 3.37Å; I116-A146 PolarHBondContact O-N 2.8Å; I116-A146 VanDerWaalsContact O-N 3.08Å
117	M	98.5	Very high	91.8	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.02	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120	172.5	-177.1	75.2	67.5	0	0	110	F82 I83 L84 V119 A146 M148 L161 E164 L165 L168	F82-M117 PolarHBondContact O-N 3.05Å; I83-M117 WeakPolarHBondContact CA-O 3.35Å; L84-M117 PolarHBondContact N-O 3.27Å; M117-V119 HydrophobicContact CB-CG2 4.47Å; M117-V119 HydrophobicContact CG-CG2 3.65Å; M117-A146 HydrophobicContact CE-CB 3.67Å; M117-A146 VanDerWaalsContact SD-C 3.56Å; M117-A146 HydrophobicContact SD-CB 3.5Å; M117-A146 VanDerWaalsContact SD-CB 3.5Å; M117-M148 HydrophobicContact SD-CB 4.07Å; M117-L161 HydrophobicContact CB-CD1 4.24Å; M117-L161 HydrophobicContact CG-CD1 3.49Å; M117-L161 VanDerWaalsContact CG-CD1 3.49Å; M117-E164 HydrophobicContact CE-CB 3.88Å; M117-L165 HydrophobicContact CB-CD1 3.8Å; M117-L168 HydrophobicContact CE-CD1 4.42Å
118	L	98.8	Very high	91.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.4	165.3	-179.2	65.3	0	0	0	109.2	L84 Y86 L94 L97 T139 W143 A146 F147 M148	L84-L118 HydrophobicContact CB-CD1 4.34Å; Y86-L118 HydrophobicContact CD1-CD1 3.91Å; Y86-L118 HydrophobicContact CD1-CG 4.38Å; Y86-L118 HydrophobicContact CE1-CD1 4.11Å; Y86-L118 HydrophobicContact CE1-CD2 4.48Å; Y86-L118 HydrophobicContact CE1-CG 4.09Å; L94-L118 HydrophobicContact CD1-CD1 4.03Å; L94-L118 HydrophobicContact CD1-CD2 4.34Å; L97-L118 HydrophobicContact CD1-CD1 3.61Å; L118-T139 HydrophobicContact CD2-CG2 3.94Å; L118-W143 HydrophobicContact CD1-CZ3 4.18Å; L118-A146 PolarHBondContact N-O 3.43Å; L118-F147 HydrophobicContact CB-CD2 4.24Å; L118-F147 HydrophobicContact CD2-CD2 4.1Å; L118-F147 HydrophobicContact CG-CD2 4.05Å; L118-F147 WeakPolarHBondContact O-CA 3.47Å; L118-F147 WeakPolarHBondContact O-CD2 3.49Å; L118-M148 PolarHBondContact O-N 2.85Å; L118-M148 VanDerWaalsContact O-N 3.09Å
119	V	98.9	Very high	92.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	115.2	-174.2	-178.4	0	0	0	0	111.3	L23 I83 L84 V85 Y86 M117 N121 M148 T150 L161	L23-V119 HydrophobicContact CD1-CG1 4.14Å; I83-V119 HydrophobicContact CG2-CB 4.35Å; I83-V119 HydrophobicContact CG2-CG2 3.57Å; L84-V119 PolarHBondContact O-N 3.04Å; V85-V119 WeakPolarHBondContact CA-O 3.43Å; V85-V119 HydrophobicContact CG2-CB 4.35Å; Y86-V119 WeakPolarHBondContact CD1-O 3.1Å; Y86-V119 PolarHBondContact N-O 3.07Å; M117-V119 HydrophobicContact CB-CG2 4.47Å; M117-V119 HydrophobicContact CG-CG2 3.65Å; V119-N121 PolarHBondContact O-N 3.44Å; V119-M148 WeakPolarHBondContact CA-O 3.4Å; V119-T150 HydrophobicContact CG1-CG2 3.78Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.38Å; V119-L161 HydrophobicContact CG1-CD2 4.37Å; V119-L161 HydrophobicContact CG2-CD1 3.45Å; V119-L161 VanDerWaalsContact CG2-CD1 3.45Å; V119-L161 HydrophobicContact CG2-CD2 4.09Å; V119-L161 HydrophobicContact CG2-CG 4.43Å
120	G	98.8	Very high	92.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	96.6	167.1	0	0	0	0	0	110	M148 E149 T150	G120-M148 PolarHBondContact N-O 2.99Å; G120-E149 CarbonylContact O-C 3.35Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.5Å; G120-T150 PolarHBondContact O-N 2.81Å
121	N	98.8	Very high	93.9	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	163.9	-179.9	-172.3	37.7	0	0	0	111.7	V18 L23 V85 Y86 V88 V119 T150 A152	V18-N121 PolarHBondContact O-ND2 3.29Å; L23-N121 HydrophobicContact CD1-CB 4.21Å; V85-N121 HydrophobicContact CG1-CB 3.81Å; Y86-N121 PolarHBondContact O-N 3Å; V88-N121 PolarHBondContact N-O 3.47Å; V119-N121 PolarHBondContact O-N 3.44Å; N121-T150 CarbonylContact C-O 3.54Å; N121-T150 VanDerWaalsContact CA-O 3.31Å; N121-T150 WeakPolarHBondContact CA-O 3.3Å; N121-T150 PolarHBondContact OD1-O 3.32Å; N121-T150 PolarHBondContact OD1-OG1 3.32Å; N121-A152 PolarHBondContact OD1-N 3.1Å
122	K	98.4	Very high	95.3	Very high	54 Å²	54	44.9 Å²	44.9	24%	0.235	25%	0.245	C	C	.	.			trans	66.4	34	-176.3	-42.3	-168.4	-164.1	176.7	0	113.4	G17 S87 V88 D124 E125 T150	G17-K122 VanDerWaalsContact O-CE 3.27Å; G17-K122 WeakPolarHBondContact O-CE 3.38Å; G17-K122 PolarHBondContact O-NZ 3.03Å; S87-K122 WeakPolarHBondContact OG-CD 3.31Å; V88-K122 WeakPolarHBondContact CG2-O 3.43Å; K122-D124 WeakPolarHBondContact CA-OD1 3.12Å; K122-D124 PolarHBondContact O-N 3.5Å; K122-E125 HydrophobicContact CB-CG 4.3Å; K122-E125 WeakPolarHBondContact CD-OE1 3.49Å; K122-E125 PolarHBondContact O-N 2.81Å; K122-T150 PolarHBondContact N-O 2.82Å
123	C	98.5	Very high	96.6	Very high	19 Å²	19	42 Å²	42	13%	0.128	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-13.7	178.5	70.5	0	0	0	0	113.8	E125 E149 T150	C123-E125 VanDerWaalsContact C-N 3.31Å; C123-E149 HydrophobicContact CB-CB 4.01Å; C123-E149 VanDerWaalsContact CB-OE2 3.3Å; C123-E149 WeakPolarHBondContact CB-OE2 3.18Å; C123-T150 PolarHBondContact N-O 2.93Å; C123-T150 VanDerWaalsContact N-O 3.11Å; C123-T150 PolarHBondContact SG-O 3.08Å
124	D	98.2	Very high	97.7	Very high	51 Å²	51	44 Å²	44	27%	0.273	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.7	171.2	58.4	-73.4	0	0	0	114.1	K122 T126 S151 K153 T154	K122-D124 WeakPolarHBondContact CA-OD1 3.12Å; K122-D124 PolarHBondContact O-N 3.5Å; D124-T126 VanDerWaalsContact C-N 3.3Å; D124-T126 PolarHBondContact O-N 3.05Å; D124-S151 VanDerWaalsContact CG-OG 3.23Å; D124-S151 WeakPolarHBondContact OD1-CB 3.33Å; D124-S151 PolarHBondContact OD1-OG 3.38Å; D124-K153 WeakPolarHBondContact OD2-CD 3.28Å; D124-T154 HydrophobicContact CB-CG2 3.91Å
125	E	97.2	Very high	98	Very high	71 Å²	71	45.7 Å²	45.7	33%	0.332	26%	0.257	S	S	.	.			trans	-85.9	62.7	-179.7	-64.2	-173.3	-148.2	0	0	112	T89 K122 C123 S127 A128 R129	T89-E125 HydrophobicContact CG2-CB 3.61Å; T89-E125 HydrophobicContact CG2-CG 4.44Å; K122-E125 HydrophobicContact CB-CG 4.3Å; K122-E125 WeakPolarHBondContact CD-OE1 3.49Å; K122-E125 PolarHBondContact O-N 2.81Å; C123-E125 VanDerWaalsContact C-N 3.31Å; E125-S127 VanDerWaalsContact C-N 3.33Å; E125-S127 PolarHBondContact O-N 3.16Å; E125-A128 PolarHBondContact O-N 2.83Å; E125-R129 PolarHBondContact O-N 3.26Å
126	T	96.3	Very high	98.1	Very high	109 Å²	109	45.5 Å²	45.5	67%	0.669	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-63.1	-33.6	-173.5	58.3	0	0	0	0	114.1	D124 A128	D124-T126 VanDerWaalsContact C-N 3.3Å; D124-T126 PolarHBondContact O-N 3.05Å; T126-A128 VanDerWaalsContact C-N 3.33Å
127	S	97.2	Very high	98.1	Very high	123 Å²	123	48.1 Å²	48.1	86%	0.86	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-74.5	-22.5	-178	57.7	0	0	0	0	114	E125	E125-S127 VanDerWaalsContact C-N 3.33Å; E125-S127 PolarHBondContact O-N 3.16Å
128	A	96.6	Very high	98.2	Very high	45 Å²	45	50.7 Å²	50.7	37%	0.372	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-107.7	11.8	-178.9	0	0	0	0	0	112	T89 E125 T126 E130	T89-A128 VanDerWaalsContact CA-O 3.25Å; T89-A128 WeakPolarHBondContact CA-O 3.48Å; T89-A128 VanDerWaalsContact CB-O 3.28Å; T89-A128 WeakPolarHBondContact CB-O 3.45Å; T89-A128 HydrophobicContact CG2-CB 4Å; E125-A128 PolarHBondContact O-N 2.83Å; T126-A128 VanDerWaalsContact C-N 3.33Å; A128-E130 PolarHBondContact O-N 2.83Å
129	R	98.4	Very high	98.1	Very high	49 Å²	49	52 Å²	52	19%	0.185	30%	0.299	C	S	.	.			trans	-65.6	128.4	-178.8	-179.6	176	-74.2	-98.1	10.9	110.5	E125 V131 E149	E125-R129 PolarHBondContact O-N 3.26Å; R129-V131 WeakPolarHBondContact CD-O 3.31Å; R129-V131 VanDerWaalsContact CG-O 3.27Å; R129-V131 WeakPolarHBondContact CG-O 3.16Å; R129-V131 PolarHBondContact NH1-O 2.94Å; R129-E149 IonicContact CZ-OE1 2.81Å; R129-E149 IonicContact CZ-OE2 3.52Å; R129-E149 IonicContact NH1-OE1 3.97Å; R129-E149 PolarHBondContact NH1-OE1 3.06Å; R129-E149 IonicContact NH1-OE2 3.58Å; R129-E149 IonicContact NH2-OE1 3.64Å; R129-E149 IonicContact NH2-OE2 3.61Å; R129-E149 PolarHBondContact NH2-OE2 3.09Å
130	E	98.4	Very high	98.1	Very high	110 Å²	110	52.3 Å²	52.3	51%	0.514	30%	0.301	S	S	.	.			trans	-113.3	-19.8	174.3	-63.6	-174.6	176.1	0	0	112.5	V88 S90 R91 A128	V88-E130 PolarHBondContact O-N 3.08Å; S90-E130 VanDerWaalsContact CA-OE2 3.25Å; S90-E130 WeakPolarHBondContact CA-OE2 3.34Å; R91-E130 HydrophobicContact CB-CB 4.47Å; R91-E130 PolarHBondContact N-OE2 3.29Å; R91-E130 PolarHBondContact NH2-O 2.84Å; A128-E130 PolarHBondContact O-N 2.83Å
131	V	98.4	Very high	98	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-119.8	116	-178.2	-174.4	0	0	0	0	108.7	Y86 V88 R91 L94 R129 D135	Y86-V131 HydrophobicContact CE2-CB 3.95Å; Y86-V131 HydrophobicContact CE2-CG1 3.68Å; Y86-V131 HydrophobicContact CE2-CG2 4.26Å; V88-V131 PolarHBondContact O-N 2.89Å; R91-V131 HydrophobicContact CB-CG2 4.01Å; L94-V131 HydrophobicContact CD2-CG1 3.88Å; R129-V131 WeakPolarHBondContact CD-O 3.31Å; R129-V131 VanDerWaalsContact CG-O 3.27Å; R129-V131 WeakPolarHBondContact CG-O 3.16Å; R129-V131 PolarHBondContact NH1-O 2.94Å; V131-D135 HydrophobicContact CG1-CB 3.73Å
132	E	98.4	Very high	97.9	Very high	102 Å²	102	66.9 Å²	66.9	48%	0.477	36%	0.364	S	S	.	.			trans	-74.3	155.3	176.8	-68.6	-55.5	136	0	0	110.8	T134 D135 G136	E132-T134 PolarHBondContact O-N 3.11Å; E132-D135 PolarHBondContact N-OD2 3.13Å; E132-D135 WeakPolarHBondContact O-CB 3.25Å; E132-D135 PolarHBondContact O-N 3.05Å; E132-G136 PolarHBondContact O-N 3.06Å
133	T	98.3	Very high	97.8	Very high	64 Å²	64	65.3 Å²	65.3	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-58.1	-32.6	177.4	-52.6	0	0	0	0	111.6	D135 G136 D137 F147 E149	T133-D135 VanDerWaalsContact C-N 3.33Å; T133-D135 PolarHBondContact O-N 3.16Å; T133-G136 PolarHBondContact O-N 2.85Å; T133-D137 WeakPolarHBondContact O-CB 3.34Å; T133-D137 PolarHBondContact O-N 3.24Å; T133-F147 HydrophobicContact CG2-CE1 3.92Å; T133-F147 HydrophobicContact CG2-CZ 4.37Å; T133-E149 WeakPolarHBondContact CA-OE1 3.45Å; T133-E149 WeakPolarHBondContact CB-OE1 3.4Å; T133-E149 HydrophobicContact CG2-CG 4.39Å; T133-E149 VanDerWaalsContact OG1-CD 3.3Å; T133-E149 PolarHBondContact OG1-OE1 2.91Å
134	T	98.4	Very high	97.6	Very high	98 Å²	98	71.3 Å²	71.3	60%	0.601	38%	0.381	S	S	*	.	H	α-helix	trans	-64.8	-32.1	175.4	48.5	0	0	0	0	113.2	E132 A138	E132-T134 PolarHBondContact O-N 3.11Å; T134-A138 VanDerWaalsContact O-CB 3.24Å; T134-A138 WeakPolarHBondContact O-CB 3.27Å; T134-A138 PolarHBondContact O-N 2.83Å
135	D	98.1	Very high	97.5	Very high	48 Å²	48	69.9 Å²	69.9	26%	0.257	37%	0.374	S	S	.	.	H	α-helix	trans	-69.2	-42.4	176.3	-67.5	-39.9	0	0	0	111	R91 V131 E132 T133 T139	R91-D135 IonicContact CZ-OD2 3.66Å; R91-D135 IonicContact NH1-OD2 3.67Å; R91-D135 IonicContact NH2-OD2 2.75Å; R91-D135 PolarHBondContact NH2-OD2 2.99Å; V131-D135 HydrophobicContact CG1-CB 3.73Å; E132-D135 PolarHBondContact N-OD2 3.13Å; E132-D135 WeakPolarHBondContact O-CB 3.25Å; E132-D135 PolarHBondContact O-N 3.05Å; T133-D135 VanDerWaalsContact C-N 3.33Å; T133-D135 PolarHBondContact O-N 3.16Å; D135-T139 WeakPolarHBondContact O-CB 3.34Å; D135-T139 PolarHBondContact O-N 3.12Å; D135-T139 PolarHBondContact O-OG1 3.4Å
136	G	98.1	Very high	97.5	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63.5	-45.1	175.4	0	0	0	0	0	112.2	E132 T133 T139 S140	E132-G136 PolarHBondContact O-N 3.06Å; T133-G136 PolarHBondContact O-N 2.85Å; G136-T139 PolarHBondContact O-N 3.29Å; G136-S140 PolarHBondContact O-N 2.93Å; G136-S140 PolarHBondContact O-OG 3.45Å
137	D	98.4	Very high	97.6	Very high	61 Å²	61	64.7 Å²	64.7	33%	0.326	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-42.6	175.5	178.1	71.5	0	0	0	112.8	T133 T139 S140 K141 F147	T133-D137 WeakPolarHBondContact O-CB 3.34Å; T133-D137 PolarHBondContact O-N 3.24Å; D137-T139 VanDerWaalsContact C-N 3.31Å; D137-T139 PolarHBondContact O-N 3.04Å; D137-S140 PolarHBondContact O-N 2.98Å; D137-S140 PolarHBondContact O-OG 3.27Å; D137-K141 WeakPolarHBondContact O-CB 3.39Å; D137-K141 WeakPolarHBondContact O-CG 3.16Å; D137-K141 PolarHBondContact O-N 2.93Å; D137-K141 WeakPolarHBondContact OD1-CE 3.47Å; D137-K141 IonicContact OD1-NZ 3.64Å; D137-K141 WeakPolarHBondContact OD2-CE 3.33Å; D137-K141 IonicContact OD2-NZ 2.63Å; D137-K141 PolarHBondContact OD2-NZ 3.33Å; D137-F147 HydrophobicContact CB-CD1 4.12Å; D137-F147 HydrophobicContact CB-CE1 4.27Å
138	A	98.6	Very high	97.7	Very high	57 Å²	57	60.3 Å²	60.3	47%	0.471	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-40.2	174.7	0	0	0	0	0	111.6	T134 K142	T134-A138 VanDerWaalsContact O-CB 3.24Å; T134-A138 WeakPolarHBondContact O-CB 3.27Å; T134-A138 PolarHBondContact O-N 2.83Å; A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 2.52Å; A138-K142 VanDerWaalsContact O-N 3.08Å
139	T	98.4	Very high	97.8	Very high	29 Å²	29	59.4 Å²	59.4	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-45.1	177.8	-58.4	0	0	0	0	111.4	L94 L118 D135 G136 D137 K141 K142 W143	L94-T139 HydrophobicContact CD1-CG2 4.3Å; L118-T139 HydrophobicContact CD2-CG2 3.94Å; D135-T139 WeakPolarHBondContact O-CB 3.34Å; D135-T139 PolarHBondContact O-N 3.12Å; D135-T139 PolarHBondContact O-OG1 3.4Å; G136-T139 PolarHBondContact O-N 3.29Å; D137-T139 VanDerWaalsContact C-N 3.31Å; D137-T139 PolarHBondContact O-N 3.04Å; T139-K141 PolarHBondContact O-N 2.87Å; T139-K142 WeakPolarHBondContact O-CB 3.48Å; T139-K142 PolarHBondContact O-N 3.11Å; T139-W143 HydrophobicContact CG2-CD2 3.91Å; T139-W143 HydrophobicContact CG2-CE3 4.21Å; T139-W143 HydrophobicContact CG2-CG 4.43Å; T139-W143 HydrophobicContact CG2-CH2 4.16Å; T139-W143 HydrophobicContact CG2-CZ2 3.86Å; T139-W143 HydrophobicContact CG2-CZ3 4.33Å; T139-W143 WeakPolarHBondContact O-CB 3.26Å; T139-W143 PolarHBondContact O-N 3.12Å
140	S	97.6	Very high	97.8	Very high	5 Å²	5	57.1 Å²	57.1	4%	0.035	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-38.9	-179.9	70.6	0	0	0	0	112.6	G136 D137 K142 W143 K144 C145 F147	G136-S140 PolarHBondContact O-N 2.93Å; G136-S140 PolarHBondContact O-OG 3.45Å; D137-S140 PolarHBondContact O-N 2.98Å; D137-S140 PolarHBondContact O-OG 3.27Å; S140-K142 PolarHBondContact O-N 3.31Å; S140-W143 CarbonylContact O-C 3.51Å; S140-W143 PolarHBondContact O-N 3.43Å; S140-K144 WeakPolarHBondContact O-CA 3.49Å; S140-K144 PolarHBondContact O-N 3.07Å; S140-C145 WeakPolarHBondContact CB-O 3.43Å; S140-C145 PolarHBondContact O-N 2.91Å; S140-F147 WeakPolarHBondContact OG-CB 3.27Å
141	K	97.4	Very high	97.8	Very high	140 Å²	140	51.9 Å²	51.9	61%	0.609	27%	0.268	S	S	*	.	H	α-helix	trans	-59.8	-45.3	171.8	-74.8	169.6	178.8	166.8	0	111.7	D137 T139 W143 K144	D137-K141 WeakPolarHBondContact O-CB 3.39Å; D137-K141 WeakPolarHBondContact O-CG 3.16Å; D137-K141 PolarHBondContact O-N 2.93Å; D137-K141 WeakPolarHBondContact OD1-CE 3.47Å; D137-K141 IonicContact OD1-NZ 3.64Å; D137-K141 WeakPolarHBondContact OD2-CE 3.33Å; D137-K141 IonicContact OD2-NZ 2.63Å; D137-K141 PolarHBondContact OD2-NZ 3.33Å; T139-K141 PolarHBondContact O-N 2.87Å; K141-W143 VanDerWaalsContact C-N 3.28Å; K141-W143 PolarHBondContact O-N 2.87Å; K141-K144 PolarHBondContact O-N 2.87Å
142	K	96.6	Very high	97.8	Very high	169 Å²	169	52 Å²	52	74%	0.735	27%	0.269	S	S	*	.	H	α-helix	trans	-62	-37.4	175.8	-176.4	178.8	-179.7	175.6	0	111.9	A138 T139 S140 K144	A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 2.52Å; A138-K142 VanDerWaalsContact O-N 3.08Å; T139-K142 WeakPolarHBondContact O-CB 3.48Å; T139-K142 PolarHBondContact O-N 3.11Å; S140-K142 PolarHBondContact O-N 3.31Å; K142-K144 VanDerWaalsContact C-N 3.33Å
143	W	95.9	Very high	97.8	Very high	21 Å²	21	52 Å²	52	8%	0.08	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	1.1	178.9	-68.2	4.2	0	0	0	113.4	L84 L97 K98 Y101 L118 T139 S140 K141 C145	L84-W143 HydrophobicContact CD1-CE3 4.38Å; L84-W143 HydrophobicContact CD1-CZ3 4.02Å; L97-W143 HydrophobicContact CB-CH2 3.77Å; L97-W143 HydrophobicContact CB-CZ3 4.09Å; K98-W143 HydrophobicContact CB-CH2 4.33Å; K98-W143 HydrophobicContact CB-CZ2 3.83Å; K98-W143 HydrophobicContact CG-CZ2 4.25Å; Y101-W143 HydrophobicContact CD1-CB 4.46Å; Y101-W143 AromaticContact CD1-CD2 3.72Å; Y101-W143 HydrophobicContact CD1-CD2 3.72Å; Y101-W143 AromaticContact CD1-CE2 3.95Å; Y101-W143 HydrophobicContact CD1-CE3 4.14Å; Y101-W143 AromaticContact CD1-CG 3.85Å; Y101-W143 HydrophobicContact CD1-CG 3.85Å; Y101-W143 HydrophobicContact CD2-CB 4.27Å; Y101-W143 HydrophobicContact CD2-CD2 4.04Å; Y101-W143 AromaticContact CD2-CE3 3.76Å; Y101-W143 HydrophobicContact CD2-CE3 3.76Å; Y101-W143 HydrophobicContact CD2-CG 4.28Å; Y101-W143 HydrophobicContact CD2-CZ3 4.46Å; Y101-W143 HydrophobicContact CE1-CB 3.95Å; Y101-W143 AromaticContact CE1-CD1 3.82Å; Y101-W143 HydrophobicContact CE1-CD2 4.07Å; Y101-W143 AromaticContact CE1-CG 3.67Å; Y101-W143 HydrophobicContact CE1-CG 3.67Å; Y101-W143 HydrophobicContact CE2-CB 3.73Å; Y101-W143 HydrophobicContact CE2-CD2 4.37Å; Y101-W143 HydrophobicContact CE2-CE3 4.39Å; Y101-W143 HydrophobicContact CE2-CG 4.12Å; Y101-W143 AromaticContact CG-CD2 3.72Å; Y101-W143 HydrophobicContact CG-CD2 3.72Å; Y101-W143 AromaticContact CG-CE3 3.63Å; Y101-W143 HydrophobicContact CG-CE3 3.63Å; Y101-W143 HydrophobicContact CG-CG 4.17Å; Y101-W143 HydrophobicContact CG-CZ3 4.08Å; Y101-W143 AromaticContact CZ-CG 3.83Å; Y101-W143 PolarHBondContact OH-O 2.96Å; L118-W143 HydrophobicContact CD1-CZ3 4.18Å; T139-W143 HydrophobicContact CG2-CD2 3.91Å; T139-W143 HydrophobicContact CG2-CE3 4.21Å; T139-W143 HydrophobicContact CG2-CG 4.43Å; T139-W143 HydrophobicContact CG2-CH2 4.16Å; T139-W143 HydrophobicContact CG2-CZ2 3.86Å; T139-W143 HydrophobicContact CG2-CZ3 4.33Å; T139-W143 WeakPolarHBondContact O-CB 3.26Å; T139-W143 PolarHBondContact O-N 3.12Å; S140-W143 CarbonylContact O-C 3.51Å; S140-W143 PolarHBondContact O-N 3.43Å; K141-W143 VanDerWaalsContact C-N 3.28Å; K141-W143 PolarHBondContact O-N 2.87Å; W143-C145 PolarHBondContact O-N 2.97Å; W143-C145 VanDerWaalsContact O-N 3.1Å
144	K	94.9	Very high	97.8	Very high	146 Å²	146	52.9 Å²	52.9	64%	0.635	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	38.4	-175.7	-57.6	-180	170.1	-170.7	0	113	E112 S140 K141 K142	E112-K144 IonicContact OE1-NZ 2.78Å; E112-K144 PolarHBondContact OE1-NZ 2.9Å; S140-K144 WeakPolarHBondContact O-CA 3.49Å; S140-K144 PolarHBondContact O-N 3.07Å; K141-K144 PolarHBondContact O-N 2.87Å; K142-K144 VanDerWaalsContact C-N 3.33Å
145	C	96.1	Very high	97.8	Very high	20 Å²	20	52.4 Å²	52.4	14%	0.135	27%	0.267	C	S	.	.			trans	-118.6	167.4	178.7	69.5	0	0	0	0	110.9	I116 S140 W143	I116-C145 HydrophobicContact CB-CB 3.9Å; I116-C145 HydrophobicContact CG2-CB 3.91Å; I116-C145 WeakPolarHBondContact O-CB 3.37Å; S140-C145 WeakPolarHBondContact CB-O 3.43Å; S140-C145 PolarHBondContact O-N 2.91Å; W143-C145 PolarHBondContact O-N 2.97Å; W143-C145 VanDerWaalsContact O-N 3.1Å
146	A	97.5	Very high	97.8	Very high	27 Å²	27	54.4 Å²	54.4	22%	0.223	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	158.8	175.5	0	0	0	0	0	111	I116 M117 L118 L168	I116-A146 PolarHBondContact O-N 2.8Å; I116-A146 VanDerWaalsContact O-N 3.08Å; M117-A146 HydrophobicContact CE-CB 3.67Å; M117-A146 VanDerWaalsContact SD-C 3.56Å; M117-A146 HydrophobicContact SD-CB 3.5Å; M117-A146 VanDerWaalsContact SD-CB 3.5Å; L118-A146 PolarHBondContact N-O 3.43Å; A146-L168 HydrophobicContact CB-CD1 3.63Å
147	F	98.7	Very high	97.8	Very high	45 Å²	45	56.6 Å²	56.6	20%	0.197	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.4	179	173.2	-118.2	0	0	0	112.1	Y86 L118 T133 D137 S140 E149	Y86-F147 HydrophobicContact CE1-CE2 4.22Å; L118-F147 HydrophobicContact CB-CD2 4.24Å; L118-F147 HydrophobicContact CD2-CD2 4.1Å; L118-F147 HydrophobicContact CG-CD2 4.05Å; L118-F147 WeakPolarHBondContact O-CA 3.47Å; L118-F147 WeakPolarHBondContact O-CD2 3.49Å; T133-F147 HydrophobicContact CG2-CE1 3.92Å; T133-F147 HydrophobicContact CG2-CZ 4.37Å; D137-F147 HydrophobicContact CB-CD1 4.12Å; D137-F147 HydrophobicContact CB-CE1 4.27Å; S140-F147 WeakPolarHBondContact OG-CB 3.27Å; F147-E149 HydrophobicContact CE1-CG 4.43Å; F147-E149 HydrophobicContact CE2-CG 4.44Å; F147-E149 HydrophobicContact CZ-CG 3.76Å
148	M	98.6	Very high	97.8	Very high	31 Å²	31	53.7 Å²	53.7	15%	0.153	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	139.8	174	-171.5	172.5	-74.3	0	0	110.7	M117 L118 V119 G120 T150 N157 E160 L161 E164	M117-M148 HydrophobicContact SD-CB 4.07Å; L118-M148 PolarHBondContact O-N 2.85Å; L118-M148 VanDerWaalsContact O-N 3.09Å; V119-M148 WeakPolarHBondContact CA-O 3.4Å; G120-M148 PolarHBondContact N-O 2.99Å; M148-T150 HydrophobicContact CG-CG2 4.18Å; M148-T150 HydrophobicContact SD-CG2 4.4Å; M148-N157 HydrophobicContact CG-CB 4.05Å; M148-N157 HydrophobicContact SD-CB 3.74Å; M148-E160 HydrophobicContact CE-CB 4.16Å; M148-E160 HydrophobicContact SD-CB 4.12Å; M148-L161 HydrophobicContact SD-CB 4.03Å; M148-L161 PolarHBondContact SD-N 3.35Å; M148-E164 HydrophobicContact CE-CB 4.36Å; M148-E164 HydrophobicContact CE-CG 3.92Å
149	E	98.8	Very high	97.7	Very high	26 Å²	26	56.7 Å²	56.7	12%	0.121	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	142	164	-72	-161	178.3	0	0	110.7	G120 C123 R129 T133 F147 N157	G120-E149 CarbonylContact O-C 3.35Å; G120-E149 VanDerWaalsContact O-CA 3.25Å; G120-E149 WeakPolarHBondContact O-CA 3.5Å; C123-E149 HydrophobicContact CB-CB 4.01Å; C123-E149 VanDerWaalsContact CB-OE2 3.3Å; C123-E149 WeakPolarHBondContact CB-OE2 3.18Å; R129-E149 IonicContact CZ-OE1 2.81Å; R129-E149 IonicContact CZ-OE2 3.52Å; R129-E149 IonicContact NH1-OE1 3.97Å; R129-E149 PolarHBondContact NH1-OE1 3.06Å; R129-E149 IonicContact NH1-OE2 3.58Å; R129-E149 IonicContact NH2-OE1 3.64Å; R129-E149 IonicContact NH2-OE2 3.61Å; R129-E149 PolarHBondContact NH2-OE2 3.09Å; T133-E149 WeakPolarHBondContact CA-OE1 3.45Å; T133-E149 WeakPolarHBondContact CB-OE1 3.4Å; T133-E149 HydrophobicContact CG2-CG 4.39Å; T133-E149 VanDerWaalsContact OG1-CD 3.3Å; T133-E149 PolarHBondContact OG1-OE1 2.91Å; F147-E149 HydrophobicContact CE1-CG 4.43Å; F147-E149 HydrophobicContact CE2-CG 4.44Å; F147-E149 HydrophobicContact CZ-CG 3.76Å; E149-N157 VanDerWaalsContact O-CB 3.31Å; E149-N157 WeakPolarHBondContact O-CB 3.36Å; E149-N157 PolarHBondContact O-ND2 2.85Å
150	T	98.9	Very high	97.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	159.6	-176.3	60.5	0	0	0	0	111.7	V119 G120 N121 K122 C123 M148 H156 N157 L161	V119-T150 HydrophobicContact CG1-CG2 3.78Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.38Å; G120-T150 PolarHBondContact O-N 2.81Å; N121-T150 CarbonylContact C-O 3.54Å; N121-T150 VanDerWaalsContact CA-O 3.31Å; N121-T150 WeakPolarHBondContact CA-O 3.3Å; N121-T150 PolarHBondContact OD1-O 3.32Å; N121-T150 PolarHBondContact OD1-OG1 3.32Å; K122-T150 PolarHBondContact N-O 2.82Å; C123-T150 PolarHBondContact N-O 2.93Å; C123-T150 VanDerWaalsContact N-O 3.11Å; C123-T150 PolarHBondContact SG-O 3.08Å; M148-T150 HydrophobicContact CG-CG2 4.18Å; M148-T150 HydrophobicContact SD-CG2 4.4Å; T150-H156 WeakPolarHBondContact CA-O 3.25Å; T150-N157 HydrophobicContact CG2-CB 3.9Å; T150-L161 HydrophobicContact CG2-CB 4.28Å; T150-L161 HydrophobicContact CG2-CD2 4.26Å
151	S	98.6	Very high	97.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-136.9	106.3	165.7	169.2	0	0	0	0	109.4	D124 K153 T154 N155 H156	D124-S151 VanDerWaalsContact CG-OG 3.23Å; D124-S151 WeakPolarHBondContact OD1-CB 3.33Å; D124-S151 PolarHBondContact OD1-OG 3.38Å; S151-K153 PolarHBondContact O-N 2.94Å; S151-K153 PolarHBondContact OG-N 3Å; S151-T154 WeakPolarHBondContact CB-OG1 3.25Å; S151-T154 PolarHBondContact O-N 3.17Å; S151-T154 PolarHBondContact OG-N 3.16Å; S151-T154 PolarHBondContact OG-OG1 3.18Å; S151-N155 CarbonylContact O-C 3.56Å; S151-N155 VanDerWaalsContact O-CA 3.31Å; S151-N155 WeakPolarHBondContact O-CA 3.49Å; S151-N155 PolarHBondContact O-N 2.77Å; S151-H156 PolarHBondContact N-O 3.04Å; S151-H156 PolarHBondContact O-N 2.68Å
152	A	98.3	Very high	97.7	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.017	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.9	171.4	0	0	0	0	0	112.3	L23 R26 F32 N121	L23-A152 HydrophobicContact CD2-CB 3.97Å; L23-A152 HydrophobicContact CG-CB 4.17Å; R26-A152 PolarHBondContact NE-O 3.31Å; R26-A152 PolarHBondContact NH2-O 3.29Å; F32-A152 HydrophobicContact CD2-CB 4.18Å; F32-A152 HydrophobicContact CE2-CB 4.28Å; N121-A152 PolarHBondContact OD1-N 3.1Å
153	K	97.7	Very high	97.7	Very high	104 Å²	104	46.7 Å²	46.7	45%	0.452	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-54.7	-179.7	-174.5	177.4	-173.9	178.4	0	111.2	R26 F32 D124 S151 N155	R26-K153 PolarHBondContact NH2-O 3.31Å; F32-K153 HydrophobicContact CD1-CG 4.38Å; F32-K153 HydrophobicContact CD2-CB 4.45Å; F32-K153 HydrophobicContact CE1-CB 4.07Å; F32-K153 HydrophobicContact CE1-CD 4.46Å; F32-K153 HydrophobicContact CE1-CG 3.77Å; F32-K153 HydrophobicContact CE2-CB 3.9Å; F32-K153 HydrophobicContact CE2-CG 4.5Å; F32-K153 HydrophobicContact CZ-CB 3.69Å; F32-K153 HydrophobicContact CZ-CD 4.4Å; F32-K153 HydrophobicContact CZ-CG 3.84Å; D124-K153 WeakPolarHBondContact OD2-CD 3.28Å; S151-K153 PolarHBondContact O-N 2.94Å; S151-K153 PolarHBondContact OG-N 3Å; K153-N155 VanDerWaalsContact C-N 3.31Å
154	T	97.9	Very high	97.7	Very high	82 Å²	82	49.9 Å²	49.9	50%	0.503	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.5	-177.6	64.5	0	0	0	0	113.4	D124 S151 H156	D124-T154 HydrophobicContact CB-CG2 3.91Å; S151-T154 WeakPolarHBondContact CB-OG1 3.25Å; S151-T154 PolarHBondContact O-N 3.17Å; S151-T154 PolarHBondContact OG-N 3.16Å; S151-T154 PolarHBondContact OG-OG1 3.18Å; T154-H156 PolarHBondContact O-N 2.89Å; T154-H156 WeakPolarHBondContact OG1-CB 3.4Å
155	N	97.9	Very high	97.8	Very high	88 Å²	88	43 Å²	43	47%	0.471	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	27.2	-172.6	-165.5	46.6	0	0	0	113.2	R26 S151 K153	R26-N155 WeakPolarHBondContact CD-OD1 3.43Å; R26-N155 HydrophobicContact CG-CB 4.34Å; R26-N155 WeakPolarHBondContact CG-OD1 3.36Å; S151-N155 CarbonylContact O-C 3.56Å; S151-N155 VanDerWaalsContact O-CA 3.31Å; S151-N155 WeakPolarHBondContact O-CA 3.49Å; S151-N155 PolarHBondContact O-N 2.77Å; K153-N155 VanDerWaalsContact C-N 3.31Å
156	H	98.6	Very high	97.8	Very high	90 Å²	90	42.1 Å²	42.1	42%	0.417	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-78.8	127.2	176.7	-176.8	67.9	0	0	0	111	T150 S151 T154 V158	T150-H156 WeakPolarHBondContact CA-O 3.25Å; S151-H156 PolarHBondContact N-O 3.04Å; S151-H156 PolarHBondContact O-N 2.68Å; T154-H156 PolarHBondContact O-N 2.89Å; T154-H156 WeakPolarHBondContact OG1-CB 3.4Å; H156-V158 PolarHBondContact O-N 2.98Å
157	N	98.5	Very high	97.6	Very high	45 Å²	45	44.9 Å²	44.9	24%	0.241	22%	0.219	C	C	.	.	S	Bend	trans	57.7	14.4	178.2	-73.1	-14.3	0	0	0	115.8	M148 E149 T150 E160 L161	M148-N157 HydrophobicContact CG-CB 4.05Å; M148-N157 HydrophobicContact SD-CB 3.74Å; E149-N157 VanDerWaalsContact O-CB 3.31Å; E149-N157 WeakPolarHBondContact O-CB 3.36Å; E149-N157 PolarHBondContact O-ND2 2.85Å; T150-N157 HydrophobicContact CG2-CB 3.9Å; N157-E160 VanDerWaalsContact C-OE2 3.26Å; N157-E160 WeakPolarHBondContact CA-OE2 3.44Å; N157-L161 VanDerWaalsContact O-CB 3.23Å; N157-L161 WeakPolarHBondContact O-CB 3.43Å; N157-L161 PolarHBondContact O-N 3.31Å
158	V	98.3	Very high	97.4	Very high	1 Å²	1	46 Å²	46	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-71.2	-42.7	-176	178.6	0	0	0	0	111.2	L23 R26 F27 H156 F162	L23-V158 HydrophobicContact CD2-CG2 4.03Å; R26-V158 HydrophobicContact CB-CG1 4.1Å; R26-V158 HydrophobicContact CG-CB 4.22Å; R26-V158 HydrophobicContact CG-CG1 3.85Å; R26-V158 HydrophobicContact CG-CG2 4Å; F27-V158 HydrophobicContact CB-CG1 3.86Å; H156-V158 PolarHBondContact O-N 2.98Å; V158-F162 VanDerWaalsContact O-CD2 3.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.48Å
159	K	96.3	Very high	97.1	Very high	119 Å²	119	45.2 Å²	45.2	52%	0.517	22%	0.223	S	C	.	.	H	α-helix	trans	-75.3	-39.2	179.2	-177.1	-179.5	176	-174.8	0	110.9	L161 F162 Q163 L176	K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L161 PolarHBondContact O-N 3.14Å; K159-F162 PolarHBondContact O-N 3.06Å; K159-Q163 WeakPolarHBondContact O-CB 3.44Å; K159-Q163 PolarHBondContact O-N 3.31Å; K159-L176 HydrophobicContact CG-CD1 4.26Å
160	E	98.1	Very high	96.6	Very high	88 Å²	88	51.9 Å²	51.9	41%	0.411	25%	0.251	S	S	.	.	H	α-helix	trans	-58.4	-43.3	177.8	-65.1	70.9	-160.3	0	0	110.3	M148 N157 F162 Q163 E164	M148-E160 HydrophobicContact CE-CB 4.16Å; M148-E160 HydrophobicContact SD-CB 4.12Å; N157-E160 VanDerWaalsContact C-OE2 3.26Å; N157-E160 WeakPolarHBondContact CA-OE2 3.44Å; E160-F162 PolarHBondContact O-N 3.01Å; E160-Q163 PolarHBondContact O-N 2.78Å; E160-E164 WeakPolarHBondContact O-CB 3.47Å; E160-E164 WeakPolarHBondContact O-CG 3.44Å; E160-E164 PolarHBondContact O-N 2.85Å
161	L	98.5	Very high	96	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-50	-55.5	173.5	165.8	58.9	0	0	0	112.5	L23 I83 M117 V119 M148 T150 N157 K159 L165	L23-L161 HydrophobicContact CD1-CD2 4.34Å; L23-L161 HydrophobicContact CD2-CD2 4.47Å; I83-L161 HydrophobicContact CD1-CD1 4.33Å; I83-L161 HydrophobicContact CD1-CD2 4.35Å; I83-L161 HydrophobicContact CD1-CG 4.3Å; I83-L161 HydrophobicContact CG2-CD1 4.39Å; I83-L161 HydrophobicContact CG2-CD2 4.46Å; M117-L161 HydrophobicContact CB-CD1 4.24Å; M117-L161 HydrophobicContact CG-CD1 3.49Å; M117-L161 VanDerWaalsContact CG-CD1 3.49Å; V119-L161 HydrophobicContact CG1-CD2 4.37Å; V119-L161 HydrophobicContact CG2-CD1 3.45Å; V119-L161 VanDerWaalsContact CG2-CD1 3.45Å; V119-L161 HydrophobicContact CG2-CD2 4.09Å; V119-L161 HydrophobicContact CG2-CG 4.43Å; M148-L161 HydrophobicContact SD-CB 4.03Å; M148-L161 PolarHBondContact SD-N 3.35Å; T150-L161 HydrophobicContact CG2-CB 4.28Å; T150-L161 HydrophobicContact CG2-CD2 4.26Å; N157-L161 VanDerWaalsContact O-CB 3.23Å; N157-L161 WeakPolarHBondContact O-CB 3.43Å; N157-L161 PolarHBondContact O-N 3.31Å; K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L161 PolarHBondContact O-N 3.14Å; L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 PolarHBondContact O-N 2.94Å
162	F	97.1	Very high	95.3	Very high	3 Å²	3	63 Å²	63	1%	0.013	29%	0.293	C	S	.	.	H	α-helix	trans	-71.5	-35.8	-177.8	-70.2	-87.1	0	0	0	111.6	F27 I59 I83 V158 K159 E160 L166 L176	F27-F162 HydrophobicContact CB-CD2 3.76Å; F27-F162 HydrophobicContact CB-CE2 3.4Å; F27-F162 VanDerWaalsContact CB-CE2 3.4Å; F27-F162 HydrophobicContact CB-CZ 4.11Å; F27-F162 HydrophobicContact CD1-CD1 4.07Å; F27-F162 AromaticContact CD1-CD2 3.72Å; F27-F162 HydrophobicContact CD1-CD2 3.72Å; F27-F162 HydrophobicContact CD1-CE1 4.13Å; F27-F162 AromaticContact CD1-CE2 3.81Å; F27-F162 HydrophobicContact CD1-CE2 3.81Å; F27-F162 AromaticContact CD1-CG 3.88Å; F27-F162 HydrophobicContact CD1-CG 3.88Å; F27-F162 HydrophobicContact CD1-CZ 4.01Å; F27-F162 HydrophobicContact CD2-CB 4.1Å; F27-F162 AromaticContact CD2-CD2 3.34Å; F27-F162 HydrophobicContact CD2-CD2 3.34Å; F27-F162 AromaticContact CD2-CE2 3.96Å; F27-F162 HydrophobicContact CD2-CE2 3.96Å; F27-F162 AromaticContact CD2-CG 3.86Å; F27-F162 HydrophobicContact CD2-CG 3.86Å; F27-F162 HydrophobicContact CE1-CB 4.24Å; F27-F162 HydrophobicContact CE1-CD1 4.05Å; F27-F162 HydrophobicContact CE1-CD2 4.17Å; F27-F162 HydrophobicContact CE1-CE1 4.49Å; F27-F162 AromaticContact CE1-CG 3.88Å; F27-F162 HydrophobicContact CE1-CG 3.88Å; F27-F162 HydrophobicContact CE2-CB 3.65Å; F27-F162 AromaticContact CE2-CD2 3.82Å; F27-F162 HydrophobicContact CE2-CD2 3.82Å; F27-F162 AromaticContact CE2-CG 3.85Å; F27-F162 HydrophobicContact CE2-CG 3.85Å; F27-F162 HydrophobicContact CG-CD1 4.47Å; F27-F162 AromaticContact CG-CD2 3.29Å; F27-F162 HydrophobicContact CG-CD2 3.29Å; F27-F162 AromaticContact CG-CE2 3.43Å; F27-F162 HydrophobicContact CG-CE2 3.43Å; F27-F162 VanDerWaalsContact CG-CE2 3.43Å; F27-F162 AromaticContact CG-CG 3.87Å; F27-F162 HydrophobicContact CG-CG 3.87Å; F27-F162 HydrophobicContact CG-CZ 4.09Å; F27-F162 HydrophobicContact CZ-CB 3.73Å; F27-F162 HydrophobicContact CZ-CD1 4.41Å; F27-F162 HydrophobicContact CZ-CD2 4.21Å; F27-F162 AromaticContact CZ-CG 3.87Å; F27-F162 HydrophobicContact CZ-CG 3.87Å; I59-F162 HydrophobicContact CD1-CD1 4.06Å; I59-F162 HydrophobicContact CD1-CE1 3.66Å; I59-F162 HydrophobicContact CD1-CZ 4.33Å; I59-F162 HydrophobicContact CG1-CE1 4.27Å; I59-F162 HydrophobicContact CG2-CE1 4.13Å; I83-F162 HydrophobicContact CD1-CD1 4.1Å; I83-F162 HydrophobicContact CD1-CE1 3.64Å; I83-F162 HydrophobicContact CD1-CZ 4.03Å; V158-F162 VanDerWaalsContact O-CD2 3.25Å; V158-F162 WeakPolarHBondContact O-CD2 3.48Å; K159-F162 PolarHBondContact O-N 3.06Å; E160-F162 PolarHBondContact O-N 3.01Å; F162-L166 VanDerWaalsContact O-CG 3.25Å; F162-L166 WeakPolarHBondContact O-CG 3.37Å; F162-L166 PolarHBondContact O-N 3.01Å; F162-L166 VanDerWaalsContact O-N 3.14Å; F162-L176 HydrophobicContact CB-CD1 4.34Å
163	Q	95.9	Very high	94.7	Very high	42 Å²	42	68 Å²	68	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-47.3	176.6	-175.8	59.9	62.1	0	0	111.6	K159 E160 L166 N167 L176	K159-Q163 WeakPolarHBondContact O-CB 3.44Å; K159-Q163 PolarHBondContact O-N 3.31Å; E160-Q163 PolarHBondContact O-N 2.78Å; Q163-L166 PolarHBondContact O-N 2.94Å; Q163-N167 PolarHBondContact NE2-OD1 3.02Å; Q163-N167 PolarHBondContact O-N 2.71Å; Q163-N167 PolarHBondContact O-ND2 2.76Å; Q163-N167 PolarHBondContact O-OD1 2.81Å; Q163-L176 HydrophobicContact CB-CD1 4.07Å
164	E	96.9	Very high	94.3	Very high	87 Å²	87	63.5 Å²	63.5	41%	0.407	31%	0.305	S	S	.	.	H	α-helix	trans	-68	-38.4	179.8	-68.5	-52.8	155.1	0	0	112	M117 M148 E160 L166 N167 L168	M117-E164 HydrophobicContact CE-CB 3.88Å; M148-E164 HydrophobicContact CE-CB 4.36Å; M148-E164 HydrophobicContact CE-CG 3.92Å; E160-E164 WeakPolarHBondContact O-CB 3.47Å; E160-E164 WeakPolarHBondContact O-CG 3.44Å; E160-E164 PolarHBondContact O-N 2.85Å; E164-L166 VanDerWaalsContact C-N 3.27Å; E164-L166 PolarHBondContact O-N 3.48Å; E164-N167 WeakPolarHBondContact O-CB 3.24Å; E164-N167 PolarHBondContact O-N 3.39Å; E164-N167 VanDerWaalsContact O-N 3.14Å; E164-N167 PolarHBondContact OE2-ND2 3.31Å; E164-L168 WeakPolarHBondContact O-CG 2.95Å; E164-L168 PolarHBondContact O-N 2.97Å; E164-L168 VanDerWaalsContact O-N 3.16Å
165	L	96.9	Very high	93.9	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-58.1	-41.6	173.5	-175	74.4	0	0	0	111.9	V10 A81 I83 P115 M117 L161 L168	V10-L165 HydrophobicContact CB-CD2 4.47Å; V10-L165 HydrophobicContact CG1-CD2 3.67Å; V10-L165 HydrophobicContact CG2-CD2 3.91Å; A81-L165 HydrophobicContact CB-CD1 4.23Å; A81-L165 HydrophobicContact CB-CD2 4Å; A81-L165 HydrophobicContact CB-CG 4.07Å; I83-L165 HydrophobicContact CD1-CD2 3.86Å; I83-L165 HydrophobicContact CG1-CD2 3.57Å; P115-L165 HydrophobicContact CB-CD1 3.99Å; P115-L165 HydrophobicContact CB-CG 4.49Å; M117-L165 HydrophobicContact CB-CD1 3.8Å; L161-L165 WeakPolarHBondContact O-CB 3.47Å; L161-L165 PolarHBondContact O-N 2.94Å; L165-L168 PolarHBondContact O-N 2.91Å
166	L	94.8	Very high	93.4	Very high	3 Å²	3	58 Å²	58	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-35.6	176.7	-66.4	177.9	0	0	0	112.2	Y8 L57 F162 Q163 E164 L168 E169 V174 L176	Y8-L166 HydrophobicContact CD1-CD2 3.55Å; Y8-L166 HydrophobicContact CE1-CD2 3.48Å; Y8-L166 VanDerWaalsContact CE1-CD2 3.48Å; Y8-L166 HydrophobicContact CG-CD2 4.48Å; L57-L166 HydrophobicContact CD1-CD2 4.26Å; F162-L166 VanDerWaalsContact O-CG 3.25Å; F162-L166 WeakPolarHBondContact O-CG 3.37Å; F162-L166 PolarHBondContact O-N 3.01Å; F162-L166 VanDerWaalsContact O-N 3.14Å; Q163-L166 PolarHBondContact O-N 2.94Å; E164-L166 VanDerWaalsContact C-N 3.27Å; E164-L166 PolarHBondContact O-N 3.48Å; L166-L168 PolarHBondContact O-N 2.87Å; L166-E169 WeakPolarHBondContact O-CB 3.27Å; L166-E169 PolarHBondContact O-N 3.11Å; L166-E169 VanDerWaalsContact O-N 3.12Å; L166-V174 HydrophobicContact CB-CB 4.44Å; L166-V174 HydrophobicContact CD1-CG1 4.17Å; L166-V174 HydrophobicContact CD2-CB 4.25Å; L166-V174 HydrophobicContact CD2-CG1 3.76Å; L166-V174 HydrophobicContact CG-CG1 4.37Å; L166-L176 HydrophobicContact CD1-CD2 3.53Å; L166-L176 HydrophobicContact CD1-CG 3.93Å
167	N	93.9	Very high	92.6	Very high	84 Å²	84	59.6 Å²	59.6	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-25.1	176.2	-65.2	-17.6	0	0	0	112.9	Q163 E164 E169	Q163-N167 PolarHBondContact NE2-OD1 3.02Å; Q163-N167 PolarHBondContact O-N 2.71Å; Q163-N167 PolarHBondContact O-ND2 2.76Å; Q163-N167 PolarHBondContact O-OD1 2.81Å; E164-N167 WeakPolarHBondContact O-CB 3.24Å; E164-N167 PolarHBondContact O-N 3.39Å; E164-N167 VanDerWaalsContact O-N 3.14Å; E164-N167 PolarHBondContact OE2-ND2 3.31Å; N167-E169 VanDerWaalsContact C-N 3.27Å; N167-E169 PolarHBondContact O-N 2.98Å
168	L	93.9	Very high	91.4	Very high	69 Å²	69	61.4 Å²	61.4	36%	0.361	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.9	176.2	-66.1	171.2	0	0	0	113.2	P115 M117 A146 E164 L165 L166 K170	P115-L168 HydrophobicContact CB-CB 3.87Å; P115-L168 HydrophobicContact CG-CB 4.17Å; M117-L168 HydrophobicContact CE-CD1 4.42Å; A146-L168 HydrophobicContact CB-CD1 3.63Å; E164-L168 WeakPolarHBondContact O-CG 2.95Å; E164-L168 PolarHBondContact O-N 2.97Å; E164-L168 VanDerWaalsContact O-N 3.16Å; L165-L168 PolarHBondContact O-N 2.91Å; L166-L168 PolarHBondContact O-N 2.87Å; L168-K170 PolarHBondContact O-N 3.49Å
169	E	92.2	Very high	89.5	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.065	32%	0.32	C	S	.	.			trans	-71.4	115.7	177.2	-178.9	58	-106.8	0	0	110.6	Y8 P115 L166 N167 R171 R172 V174	Y8-E169 HydrophobicContact CE2-CB 4.38Å; Y8-E169 HydrophobicContact CE2-CG 3.79Å; Y8-E169 WeakPolarHBondContact CE2-OE2 3.47Å; Y8-E169 WeakPolarHBondContact OH-CB 3.37Å; Y8-E169 PolarHBondContact OH-OE2 2.81Å; P115-E169 HydrophobicContact CG-CB 4.13Å; L166-E169 WeakPolarHBondContact O-CB 3.27Å; L166-E169 PolarHBondContact O-N 3.11Å; L166-E169 VanDerWaalsContact O-N 3.12Å; N167-E169 VanDerWaalsContact C-N 3.27Å; N167-E169 PolarHBondContact O-N 2.98Å; E169-R171 VanDerWaalsContact OE1-CB 3.28Å; E169-R171 WeakPolarHBondContact OE1-CB 3.49Å; E169-R171 IonicContact OE1-CZ 3.84Å; E169-R171 PolarHBondContact OE1-N 3.08Å; E169-R171 IonicContact OE1-NE 3.84Å; E169-R171 PolarHBondContact OE1-NE 3.48Å; E169-R171 IonicContact OE1-NH2 3.42Å; E169-R171 PolarHBondContact OE1-NH2 3.05Å; E169-R171 IonicContact OE2-CZ 2.86Å; E169-R171 IonicContact OE2-NE 3.04Å; E169-R171 IonicContact OE2-NH2 2.95Å; E169-R171 PolarHBondContact OE2-NH2 3.19Å; E169-R172 HydrophobicContact CG-CB 4.32Å; E169-V174 HydrophobicContact CG-CG2 4.37Å
170	K	88.5	Confident	87.3	Confident	166 Å²	166	63.4 Å²	63.4	72%	0.722	32%	0.318	S	S	*	.	S	Bend	trans	-93	-19	-177.1	-64.2	175.8	-175.1	163.1	0	113.2	E112 L168	E112-K170 PolarHBondContact O-NZ 3.22Å; E112-K170 VanDerWaalsContact O-NZ 3.11Å; L168-K170 PolarHBondContact O-N 3.49Å
171	R	86.1	Confident	84.8	Confident	148 Å²	148	67.1 Å²	67.1	56%	0.558	33%	0.333	S	S	*	.	S	Bend	trans	-88.3	-19.8	-173.4	-60.1	167.3	-66.1	-179.7	-1.3	113	E169	E169-R171 VanDerWaalsContact OE1-CB 3.28Å; E169-R171 WeakPolarHBondContact OE1-CB 3.49Å; E169-R171 IonicContact OE1-CZ 3.84Å; E169-R171 PolarHBondContact OE1-N 3.08Å; E169-R171 IonicContact OE1-NE 3.84Å; E169-R171 PolarHBondContact OE1-NE 3.48Å; E169-R171 IonicContact OE1-NH2 3.42Å; E169-R171 PolarHBondContact OE1-NH2 3.05Å; E169-R171 IonicContact OE2-CZ 2.86Å; E169-R171 IonicContact OE2-NE 3.04Å; E169-R171 IonicContact OE2-NH2 2.95Å; E169-R171 PolarHBondContact OE2-NH2 3.19Å
172	R	85.4	Confident	82.3	Confident	86 Å²	86	69.9 Å²	69.9	33%	0.325	35%	0.353	S	S	.	.	S	Bend	trans	-145.3	142.7	-177.7	-58.6	-176.3	-170	-179.8	2.6	109.2	N6 E169 V174	N6-R172 PolarHBondContact OD1-NH1 2.91Å; E169-R172 HydrophobicContact CG-CB 4.32Å; R172-V174 HydrophobicContact CB-CG2 3.88Å; R172-V174 PolarHBondContact O-N 2.8Å
173	T	86.3	Confident	79.7	Confident	108 Å²	108	78.2 Å²	78.2	66%	0.663	39%	0.389	S	S	*	.			trans	-82.1	106	171.8	-56.9	0	0	0	0	108.6	C50 D51	C50-T173 CarbonylContact C-O 3.59Å; C50-T173 VanDerWaalsContact CA-O 3.23Å; C50-T173 WeakPolarHBondContact CA-O 3.47Å; D51-T173 PolarHBondContact N-O 3.42Å; D51-T173 PolarHBondContact OD1-N 3.17Å
174	V	88.2	Confident	77.5	Confident	8 Å²	8	83.5 Å²	83.5	5%	0.048	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.8	-177.1	-166.2	0	0	0	0	110.3	Y8 I48 S49 L166 E169 R172	Y8-V174 HydrophobicContact CD2-CG2 4.04Å; Y8-V174 HydrophobicContact CE2-CG2 4.2Å; Y8-V174 HydrophobicContact CG-CG1 4.38Å; I48-V174 HydrophobicContact CD1-CG1 3.2Å; I48-V174 HydrophobicContact CG1-CG1 4.32Å; S49-V174 CarbonylContact O-C 3.58Å; S49-V174 WeakPolarHBondContact O-CA 3.4Å; L166-V174 HydrophobicContact CB-CB 4.44Å; L166-V174 HydrophobicContact CD1-CG1 4.17Å; L166-V174 HydrophobicContact CD2-CB 4.25Å; L166-V174 HydrophobicContact CD2-CG1 3.76Å; L166-V174 HydrophobicContact CG-CG1 4.37Å; E169-V174 HydrophobicContact CG-CG2 4.37Å; R172-V174 HydrophobicContact CB-CG2 3.88Å; R172-V174 PolarHBondContact O-N 2.8Å
175	S	89.1	Confident	75.3	Confident	28 Å²	28	85.8 Å²	85.8	20%	0.196	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	149.6	179.3	82.6	0	0	0	0	113.6	I48 S49 Q177	I48-S175 WeakPolarHBondContact CB-O 3.19Å; S49-S175 WeakPolarHBondContact CB-OG 3.33Å; S49-S175 PolarHBondContact N-O 3.42Å; S49-S175 PolarHBondContact O-N 2.88Å; S175-Q177 PolarHBondContact O-N 2.9Å; S175-Q177 PolarHBondContact OG-O 3.19Å; S175-Q177 VanDerWaalsContact OG-O 3.05Å
176	L	87.8	Confident	73	Confident	28 Å²	28	93.4 Å²	93.4	15%	0.147	46%	0.457	C	S	.	.	S	Bend	trans	-69.6	-17.2	178.2	-62.5	-178.3	0	0	0	113.5	F27 I48 L57 K159 F162 Q163 L166	F27-L176 HydrophobicContact CE2-CD1 3.74Å; F27-L176 HydrophobicContact CE2-CD2 4.35Å; F27-L176 HydrophobicContact CZ-CD1 3.93Å; F27-L176 HydrophobicContact CZ-CD2 3.66Å; F27-L176 HydrophobicContact CZ-CG 4.45Å; I48-L176 HydrophobicContact CG2-CD2 4.02Å; L57-L176 HydrophobicContact CD2-CD2 4.17Å; K159-L176 HydrophobicContact CG-CD1 4.26Å; F162-L176 HydrophobicContact CB-CD1 4.34Å; Q163-L176 HydrophobicContact CB-CD1 4.07Å; L166-L176 HydrophobicContact CD1-CD2 3.53Å; L166-L176 HydrophobicContact CD1-CG 3.93Å
177	Q	81.6	Confident	71	Confident	122 Å²	122	102.3 Å²	102.3	57%	0.57	49%	0.491	S	S	*	.	S	Bend	trans	-96	122	179.4	-62.2	-169.2	15.7	0	0	110.2	S49 S175 D179	S49-Q177 WeakPolarHBondContact CB-O 3.47Å; S175-Q177 PolarHBondContact O-N 2.9Å; S175-Q177 PolarHBondContact OG-O 3.19Å; S175-Q177 VanDerWaalsContact OG-O 3.05Å; Q177-D179 PolarHBondContact O-N 3.42Å
178	I	74.3	Confident	69.1	Low	83 Å²	83	101 Å²	101	43%	0.426	49%	0.491	S	S	.	.			trans	-69.8	118.2	168	-54.5	173	0	0	0	107.2	V47 I54 G180	V47-I178 HydrophobicContact CB-CD1 4.38Å; V47-I178 HydrophobicContact CG1-CD1 3.75Å; I54-I178 HydrophobicContact CD1-CG2 4.29Å; I54-I178 HydrophobicContact CG1-CG2 4.3Å; I178-G180 VanDerWaalsContact C-N 3.29Å; I178-G180 PolarHBondContact O-N 3.24Å
179	D	58	Low	67.2	Low	116 Å²	116	104.6 Å²	104.6	62%	0.62	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	88.4	178.9	-82.7	-43.8	0	0	0	110.4	Q177	Q177-D179 PolarHBondContact O-N 3.42Å
180	G	49.8	Very low	65.4	Low	46 Å²	46	112 Å²	112	47%	0.474	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-168.3	-26.1	-177.8	0	0	0	0	0	114.9	I178	I178-G180 VanDerWaalsContact C-N 3.29Å; I178-G180 PolarHBondContact O-N 3.24Å
181	K	45.1	Very low	64	Low	166 Å²	166	109.7 Å²	109.7	72%	0.722	53%	0.533	S	S	*	.	H	α-helix	trans	-92	-26.1	-177.6	-70.2	-171.2	176.1	-179.5	0	115	K183 Q185	K181-K183 PolarHBondContact O-N 3.3Å; K181-Q185 PolarHBondContact O-N 2.96Å
182	S	46.5	Very low	62.6	Low	60 Å²	60	111.5 Å²	111.5	42%	0.42	55%	0.545	S	S	.	.	H	α-helix	trans	-70.5	-32.4	-175.6	58.5	0	0	0	0	113.7	K186	S182-K186 PolarHBondContact O-N 3.27Å
183	K	43.5	Very low	61	Low	177 Å²	177	110.5 Å²	110.5	77%	0.77	56%	0.562	S	S	*	*	H	α-helix	trans	-79.3	-31.3	178.2	-75.2	-175.7	179.5	176	0	113.6	K181 R187	K181-K183 PolarHBondContact O-N 3.3Å; K183-R187 WeakPolarHBondContact O-CB 3.46Å; K183-R187 PolarHBondContact O-N 3.22Å
184	Q	49.6	Very low	59.6	Low	153 Å²	153	113.9 Å²	113.9	72%	0.715	57%	0.567	S	S	*	*	H	α-helix	trans	-74.8	-39	176.9	-89.3	-178.4	-5.4	0	0	112.4	R187 A188	Q184-R187 PolarHBondContact O-N 3.05Å; Q184-A188 WeakPolarHBondContact O-CB 3.32Å; Q184-A188 PolarHBondContact O-N 3.45Å
185	Q	50.8	Low	57.8	Low	136 Å²	136	118.7 Å²	118.7	64%	0.636	60%	0.6	S	S	*	*	H	α-helix	trans	-64	-46.1	175.5	-85.6	174.1	-32.4	0	0	112.2	K181 R187 A188 E189	K181-Q185 PolarHBondContact O-N 2.96Å; Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.12Å; Q185-A188 PolarHBondContact O-N 3.41Å; Q185-E189 PolarHBondContact O-N 3.39Å; Q185-E189 VanDerWaalsContact O-N 3.08Å
186	K	47.1	Very low	55.7	Low	160 Å²	160	123.8 Å²	123.8	70%	0.696	63%	0.63	S	S	*	*	H	α-helix	trans	-63.6	-29.4	176.1	-75.7	-174.7	175.8	-177.9	0	113.5	S182 K190	S182-K186 PolarHBondContact O-N 3.27Å; K186-K190 PolarHBondContact O-N 2.98Å
187	R	53	Low	53.7	Low	191 Å²	191	128.7 Å²	128.7	72%	0.721	66%	0.66	S	S	*	*	H	α-helix	trans	-79.1	-39.3	177.7	-157.9	176.2	-179.2	-177.5	-0.2	111.6	K183 Q184 Q185 K190 L191	K183-R187 WeakPolarHBondContact O-CB 3.46Å; K183-R187 PolarHBondContact O-N 3.22Å; Q184-R187 PolarHBondContact O-N 3.05Å; Q185-R187 VanDerWaalsContact C-N 3.27Å; Q185-R187 PolarHBondContact O-N 3.12Å; R187-K190 PolarHBondContact O-N 3.18Å; R187-L191 HydrophobicContact CG-CD1 4.24Å; R187-L191 WeakPolarHBondContact O-CD1 3.48Å; R187-L191 PolarHBondContact O-N 3.22Å; R187-L191 VanDerWaalsContact O-N 3.14Å
188	A	53.5	Low	51.6	Low	56 Å²	56	135 Å²	135	46%	0.463	69%	0.693	S	S	.	*	H	α-helix	trans	-65.5	-39.2	177.1	0	0	0	0	0	112.6	Q184 Q185 L191 K192	Q184-A188 WeakPolarHBondContact O-CB 3.32Å; Q184-A188 PolarHBondContact O-N 3.45Å; Q185-A188 PolarHBondContact O-N 3.41Å; A188-L191 PolarHBondContact O-N 2.9Å; A188-K192 PolarHBondContact O-N 2.89Å
189	E	55.1	Low	50.5	Low	145 Å²	145	137.7 Å²	137.7	68%	0.678	71%	0.707	S	S	*	*	H	α-helix	trans	-66.4	-38.2	174.2	-74.2	178.8	155.7	0	0	112.3	Q185 L191 K192 G193	Q185-E189 PolarHBondContact O-N 3.39Å; Q185-E189 VanDerWaalsContact O-N 3.08Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.46Å; E189-K192 PolarHBondContact O-N 3.36Å; E189-G193 PolarHBondContact O-N 2.63Å
190	K	54.8	Low	50.1	Low	168 Å²	168	138.8 Å²	138.8	73%	0.73	71%	0.711	S	S	*	*	H	α-helix	trans	-68.7	-26.1	177.2	-124.9	176.7	-176.9	179.5	0	113.9	K186 R187	K186-K190 PolarHBondContact O-N 2.98Å; R187-K190 PolarHBondContact O-N 3.18Å
191	L	58.8	Low	50.1	Low	119 Å²	119	143.9 Å²	143.9	62%	0.623	72%	0.724	S	S	*	*	H	α-helix	trans	-81.4	-34.9	176.9	-93.2	139.6	0	0	0	112.2	R187 A188 E189 G193 K194	R187-L191 HydrophobicContact CG-CD1 4.24Å; R187-L191 WeakPolarHBondContact O-CD1 3.48Å; R187-L191 PolarHBondContact O-N 3.22Å; R187-L191 VanDerWaalsContact O-N 3.14Å; A188-L191 PolarHBondContact O-N 2.9Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.46Å; L191-G193 VanDerWaalsContact C-N 3.3Å; L191-G193 PolarHBondContact O-N 2.88Å; L191-K194 PolarHBondContact O-N 2.75Å
192	K	57.6	Low	50.4	Low	185 Å²	185	142.6 Å²	142.6	80%	0.804	73%	0.725	S	S	*	*	H	α-helix	trans	-67.6	-26.4	175.8	-79.4	-175.3	173.7	-175.3	0	113.8	A188 E189 K194	A188-K192 PolarHBondContact O-N 2.89Å; E189-K192 PolarHBondContact O-N 3.36Å; K192-K194 VanDerWaalsContact C-N 3.34Å; K192-K194 PolarHBondContact O-N 2.95Å
193	G	51.5	Low	50.6	Low	66 Å²	66	147.8 Å²	147.8	68%	0.68	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	0.2	176.8	0	0	0	0	0	116	E189 L191	E189-G193 PolarHBondContact O-N 2.63Å; L191-G193 VanDerWaalsContact C-N 3.3Å; L191-G193 PolarHBondContact O-N 2.88Å
194	K	56.9	Low	51.1	Low	178 Å²	178	145.9 Å²	145.9	77%	0.774	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	-2.2	-176.5	-77	-169.3	173.1	-168.3	0	115.2	L191 K192 V196	L191-K194 PolarHBondContact O-N 2.75Å; K192-K194 VanDerWaalsContact C-N 3.34Å; K192-K194 PolarHBondContact O-N 2.95Å; K194-V196 PolarHBondContact O-N 3.44Å
195	C	49.2	Very low	51.2	Low	109 Å²	109	145.4 Å²	145.4	74%	0.736	74%	0.744	S	S	*	*			trans	-97.1	80.2	171.7	-102.6	0	0	0	0	109.6
196	V	45.1	Very low	51.3	Low	136 Å²	136	146.1 Å²	146.1	82%	0.824	75%	0.752	S	S	*	*			trans	-106.1	104.5	151.8	-177.7	0	0	0	0	104.5	K194	K194-V196 PolarHBondContact O-N 3.44Å
197	V	45.3	Very low	51.6	Low	130 Å²	130	144.9 Å²	144.9	79%	0.788	76%	0.757	S	S	*	*			trans	-68.5	125.1	176	179.2	0	0	0	0	107
198	M	38.6	Very low	51.5	Low	256 Å²	256	140.7 Å²	140.7	100%	1.261	76%	0.76	S	S	*	*			trans	-66.5	0	166.8	-93.2	-177	-86.8	0	0	110.8

Retrieved 198 of 198 residues in 1208.7 ms (Link to these results)

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