A0A087YL76_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A087YL76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	39.6	Very low	52.5	Low	179 Å²	179	142.2 Å²	142.2	100%	1.162	82%	0.819	S	S	*	*				0	87.3	0	14.9	8.7	0	0	0	110.3
2	S	40.5	Very low	56.3	Low	111 Å²	111	133.3 Å²	133.3	78%	0.776	77%	0.767	S	S	*	*			trans	-84.5	114	175.9	48.4	0	0	0	0	109.4
3	H	44.8	Very low	59.5	Low	183 Å²	183	125.2 Å²	125.2	85%	0.847	72%	0.722	S	S	*	*			trans	-95	112.8	159.5	-75.5	6	0	0	0	107.3	S5	H3-S5 PolarHBondContact O-N 2.59Å
4	P	49	Very low	62.3	Low	118 Å²	118	122.6 Å²	122.6	77%	0.766	70%	0.697	S	S	*	*			trans	-71.6	110.3	158.8	28.8	-25.6	0	0	0	106.1	R6	P4-R6 VanDerWaalsContact C-N 3.35Å; P4-R6 PolarHBondContact O-N 2.71Å
5	S	51.4	Low	64.7	Low	113 Å²	113	114.4 Å²	114.4	79%	0.79	65%	0.651	S	S	*	*			trans	-59.6	104.3	163.4	53.9	0	0	0	0	106.8	H3 A7	H3-S5 PolarHBondContact O-N 2.59Å; S5-A7 PolarHBondContact O-N 3.02Å
6	R	46	Very low	66.9	Low	236 Å²	236	108.3 Å²	108.3	89%	0.891	62%	0.615	S	S	*	*			trans	-69.7	85.6	171.7	-161.1	176.2	-177.9	-178	-0.3	106.3	P4 V8	P4-R6 VanDerWaalsContact C-N 3.35Å; P4-R6 PolarHBondContact O-N 2.71Å; R6-V8 PolarHBondContact O-N 3.08Å
7	A	50.1	Low	68.8	Low	85 Å²	85	101.9 Å²	101.9	70%	0.702	58%	0.578	S	S	*	*			trans	-55.1	113.6	158.9	0	0	0	0	0	104.8	S5 E9	S5-A7 PolarHBondContact O-N 3.02Å; A7-E9 PolarHBondContact O-N 3.3Å
8	V	47.4	Very low	70.4	Confident	115 Å²	115	98.4 Å²	98.4	70%	0.697	56%	0.558	S	S	*	*			trans	-55.7	115	166	176.6	0	0	0	0	104.4	R6 M10	R6-V8 PolarHBondContact O-N 3.08Å; V8-M10 HydrophobicContact CG1-CG 4.11Å; V8-M10 PolarHBondContact O-N 3.3Å
9	E	50.9	Low	71.9	Confident	193 Å²	193	93.3 Å²	93.3	90%	0.902	53%	0.529	S	S	*	.			trans	-59.9	88	162.5	-81.5	-163.2	155.1	0	0	106	A7 G11	A7-E9 PolarHBondContact O-N 3.3Å; E9-G11 PolarHBondContact O-N 2.86Å
10	M	68.2	Low	73.3	Confident	169 Å²	169	89.6 Å²	89.6	83%	0.833	51%	0.508	S	S	*	.			trans	-68.1	106.9	165.7	-69.8	-166.8	-55.7	0	0	104.6	V8	V8-M10 HydrophobicContact CG1-CG 4.11Å; V8-M10 PolarHBondContact O-N 3.3Å
11	G	89.4	Confident	74.5	Confident	62 Å²	62	85.3 Å²	85.3	64%	0.639	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-54.2	168.2	173.2	0	0	0	0	0	111.3	E9	E9-G11 PolarHBondContact O-N 2.86Å
12	N	97.9	Very high	77.3	Confident	36 Å²	36	81.4 Å²	81.4	19%	0.193	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-51.8	132.1	179.6	-86.1	-26.3	0	0	0	111.8	K14 E32 L33 A35 D36	N12-K14 PolarHBondContact O-N 2.68Å; N12-E32 HydrophobicContact CB-CG 3.69Å; N12-E32 WeakPolarHBondContact CB-OE1 3.5Å; N12-L33 WeakPolarHBondContact CB-O 3.44Å; N12-L33 PolarHBondContact OD1-O 2.87Å; N12-A35 PolarHBondContact OD1-N 3.13Å; N12-A35 VanDerWaalsContact OD1-N 3.1Å; N12-D36 PolarHBondContact ND2-OD1 3.45Å; N12-D36 PolarHBondContact OD1-N 3.45Å; N12-D36 VanDerWaalsContact OD1-N 3.13Å; N12-D36 PolarHBondContact OD1-OD1 2.79Å; N12-D36 VanDerWaalsContact OD1-OD1 3.09Å
13	P	98.3	Very high	80	Confident	28 Å²	28	78.7 Å²	78.7	18%	0.182	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-58.7	139.2	-179	-23.9	32.8	0	0	0	111.6	L33 A35 R46	P13-L33 HydrophobicContact CB-CB 4.49Å; P13-L33 HydrophobicContact CB-CD1 4.41Å; P13-L33 PolarHBondContact O-N 2.86Å; P13-A35 HydrophobicContact CG-CB 4.19Å; P13-R46 HydrophobicContact CB-CG 4.47Å
14	K	98.8	Very high	82.6	Confident	88 Å²	88	72.4 Å²	72.4	38%	0.383	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.2	169	-68.2	-176.8	179.9	-177.2	0	109.9	N12 V30 M31 E32 Q172 L173	N12-K14 PolarHBondContact O-N 2.68Å; K14-V30 HydrophobicContact CB-CG1 4.45Å; K14-M31 VanDerWaalsContact CA-O 3.3Å; K14-M31 WeakPolarHBondContact CA-O 3.09Å; K14-E32 HydrophobicContact CG-CB 4.37Å; K14-Q172 WeakPolarHBondContact O-CG 3.4Å; K14-L173 HydrophobicContact CB-CB 4.19Å; K14-L173 HydrophobicContact CB-CD1 4.28Å; K14-L173 PolarHBondContact O-N 3.35Å
15	V	98.9	Very high	85	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	159.2	177.9	-62.1	0	0	0	0	109.6	V30 M31 L33 F45 R46 C49 D171 Q172	V15-V30 WeakPolarHBondContact O-CA 3.38Å; V15-M31 HydrophobicContact CG2-CB 4.21Å; V15-M31 HydrophobicContact CG2-CE 4.13Å; V15-M31 PolarHBondContact N-O 3.4Å; V15-M31 PolarHBondContact O-N 3.21Å; V15-L33 HydrophobicContact CG1-CD1 3.92Å; V15-L33 HydrophobicContact CG2-CD1 4.07Å; V15-L33 HydrophobicContact CG2-CD2 4.02Å; V15-L33 HydrophobicContact CG2-CG 4.13Å; V15-F45 HydrophobicContact CG2-CD1 4Å; V15-F45 HydrophobicContact CG2-CE1 3.76Å; V15-R46 HydrophobicContact CG1-CB 4.4Å; V15-R46 HydrophobicContact CG1-CG 4.07Å; V15-C49 HydrophobicContact CB-CB 4.17Å; V15-C49 HydrophobicContact CG1-CB 4.15Å; V15-D171 WeakPolarHBondContact CA-O 3.49Å; V15-D171 WeakPolarHBondContact CB-O 3.38Å; V15-Q172 HydrophobicContact CG1-CB 4.43Å
16	F	98.9	Very high	87.2	Confident	16 Å²	16	67.8 Å²	67.8	7%	0.07	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.6	178.8	75	-91.8	0	0	0	113.4	D18 R28 I29 V30 C170 D171 L173	F16-D18 WeakPolarHBondContact CE2-OD2 3.26Å; F16-R28 HydrophobicContact CB-CG 4.04Å; F16-R28 HydrophobicContact CD2-CG 4.38Å; F16-I29 CarbonylContact C-O 3.57Å; F16-I29 WeakPolarHBondContact CA-O 3.46Å; F16-I29 WeakPolarHBondContact CB-O 3.35Å; F16-V30 HydrophobicContact CB-CG2 4.37Å; F16-C170 WeakPolarHBondContact O-CA 3.4Å; F16-C170 VanDerWaalsContact O-CB 3.29Å; F16-C170 WeakPolarHBondContact O-CB 3.24Å; F16-D171 HydrophobicContact CD1-CB 4.34Å; F16-D171 WeakPolarHBondContact CD1-O 3.42Å; F16-D171 HydrophobicContact CE1-CB 3.45Å; F16-D171 VanDerWaalsContact CE1-CB 3.45Å; F16-D171 HydrophobicContact CZ-CB 3.71Å; F16-D171 PolarHBondContact N-O 3.09Å; F16-D171 PolarHBondContact O-N 3.2Å; F16-L173 HydrophobicContact CB-CD2 4.45Å; F16-L173 HydrophobicContact CB-CG 4.44Å; F16-L173 HydrophobicContact CD1-CD2 3.49Å; F16-L173 VanDerWaalsContact CD1-CD2 3.49Å; F16-L173 HydrophobicContact CD1-CG 3.93Å; F16-L173 HydrophobicContact CE1-CD2 4.1Å; F16-L173 HydrophobicContact CG-CD2 4.28Å
17	F	98.9	Very high	89.7	Confident	0 Å²	0	58 Å²	58	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.5	165.1	-64.8	-29.8	0	0	0	110.4	I19 R28 I29 M31 F45 C49 Y57 F62 F121 I167 C170	F17-I19 HydrophobicContact CB-CD1 3.67Å; F17-I19 HydrophobicContact CB-CG1 4.32Å; F17-R28 CarbonylContact O-C 3.46Å; F17-R28 VanDerWaalsContact O-CA 3.29Å; F17-R28 WeakPolarHBondContact O-CA 3.43Å; F17-I29 PolarHBondContact N-O 2.92Å; F17-I29 PolarHBondContact O-N 3.28Å; F17-M31 HydrophobicContact CB-CE 4.39Å; F17-M31 HydrophobicContact CD1-CE 4.26Å; F17-M31 HydrophobicContact CD2-CE 3.51Å; F17-M31 HydrophobicContact CD2-SD 4.08Å; F17-M31 HydrophobicContact CE2-CE 3.76Å; F17-M31 HydrophobicContact CE2-SD 3.98Å; F17-M31 HydrophobicContact CG-CE 3.79Å; F17-M31 HydrophobicContact CZ-CE 4.28Å; F17-F45 HydrophobicContact CE1-CZ 4.47Å; F17-F45 HydrophobicContact CE2-CE1 4.42Å; F17-F45 AromaticContact CE2-CZ 3.74Å; F17-F45 HydrophobicContact CE2-CZ 3.74Å; F17-F45 AromaticContact CZ-CE1 3.9Å; F17-F45 HydrophobicContact CZ-CE1 3.9Å; F17-F45 HydrophobicContact CZ-CE2 4.25Å; F17-F45 AromaticContact CZ-CZ 3.4Å; F17-F45 HydrophobicContact CZ-CZ 3.4Å; F17-F45 VanDerWaalsContact CZ-CZ 3.4Å; F17-C49 VanDerWaalsContact CE1-SG 3.57Å; F17-Y57 AromaticContact CE1-CD2 3.93Å; F17-Y57 HydrophobicContact CE1-CD2 3.93Å; F17-Y57 HydrophobicContact CE1-CG 4.31Å; F17-Y57 AromaticContact CZ-CD2 3.85Å; F17-Y57 HydrophobicContact CZ-CD2 3.85Å; F17-Y57 HydrophobicContact CZ-CE2 4.38Å; F17-Y57 HydrophobicContact CZ-CG 4.27Å; F17-F62 HydrophobicContact CD2-CZ 4.36Å; F17-F121 HydrophobicContact CD2-CZ 4.41Å; F17-F121 HydrophobicContact CE2-CE1 4.21Å; F17-F121 AromaticContact CE2-CE2 3.83Å; F17-F121 HydrophobicContact CE2-CE2 3.83Å; F17-F121 AromaticContact CE2-CZ 3.39Å; F17-F121 HydrophobicContact CE2-CZ 3.39Å; F17-F121 HydrophobicContact CZ-CE1 4.2Å; F17-F121 AromaticContact CZ-CZ 3.84Å; F17-F121 HydrophobicContact CZ-CZ 3.84Å; F17-I167 HydrophobicContact CB-CG2 4.17Å; F17-I167 HydrophobicContact CD1-CD1 4.25Å; F17-I167 HydrophobicContact CD1-CG2 3.65Å; F17-I167 HydrophobicContact CD2-CD1 4.12Å; F17-I167 HydrophobicContact CD2-CG1 4.46Å; F17-I167 HydrophobicContact CE1-CD1 4.1Å; F17-I167 HydrophobicContact CE1-CG2 4.2Å; F17-I167 HydrophobicContact CE2-CD1 3.99Å; F17-I167 HydrophobicContact CG-CD1 4.25Å; F17-I167 HydrophobicContact CG-CG1 4.34Å; F17-I167 HydrophobicContact CG-CG2 4.02Å; F17-I167 HydrophobicContact CZ-CD1 3.97Å; F17-C170 HydrophobicContact CD1-CB 3.42Å; F17-C170 VanDerWaalsContact CD1-CB 3.42Å; F17-C170 HydrophobicContact CE1-CB 3.75Å
18	D	98.9	Very high	92	Very high	39 Å²	39	59.1 Å²	59.1	21%	0.209	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116	163.2	-67.7	-34.9	0	0	0	108.4	F16 R28 I167 A168 N169	F16-D18 WeakPolarHBondContact CE2-OD2 3.26Å; D18-R28 IonicContact OD1-CZ 2.78Å; D18-R28 VanDerWaalsContact OD1-CZ 3.29Å; D18-R28 IonicContact OD1-NE 3.29Å; D18-R28 PolarHBondContact OD1-NE 3.43Å; D18-R28 IonicContact OD1-NH2 3.88Å; D18-R28 PolarHBondContact OD1-NH2 3.17Å; D18-R28 IonicContact OD2-CZ 3.61Å; D18-R28 IonicContact OD2-NH2 3.3Å; D18-R28 PolarHBondContact OD2-NH2 3.37Å; D18-I167 CarbonylContact O-C 3.58Å; D18-A168 PolarHBondContact O-N 3.1Å; D18-N169 HydrophobicContact CB-CB 4.07Å; D18-N169 PolarHBondContact N-O 2.71Å
19	I	98.9	Very high	94.5	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140	-172.6	-55.5	-59.3	0	0	0	110.9	F17 L26 G27 I29 F62 V147 M151 I165 T166 I167	F17-I19 HydrophobicContact CB-CD1 3.67Å; F17-I19 HydrophobicContact CB-CG1 4.32Å; I19-L26 HydrophobicContact CB-CB 4.25Å; I19-L26 HydrophobicContact CG2-CB 4.08Å; I19-L26 HydrophobicContact CG2-CD1 3.88Å; I19-L26 HydrophobicContact CG2-CG 4.28Å; I19-L26 PolarHBondContact O-N 3.34Å; I19-G27 PolarHBondContact N-O 3.31Å; I19-I29 HydrophobicContact CD1-CD1 4.24Å; I19-I29 HydrophobicContact CG1-CD1 3.73Å; I19-I29 HydrophobicContact CG1-CG1 4.23Å; I19-F62 HydrophobicContact CD1-CE2 3.72Å; I19-V147 HydrophobicContact CB-CG1 4.11Å; I19-V147 HydrophobicContact CG1-CG1 4.16Å; I19-M151 HydrophobicContact CB-SD 4.45Å; I19-M151 HydrophobicContact CD1-SD 4.37Å; I19-M151 HydrophobicContact CG1-SD 3.97Å; I19-M151 HydrophobicContact CG2-CG 3.96Å; I19-M151 HydrophobicContact CG2-SD 3.86Å; I19-I165 HydrophobicContact CG2-CG2 3.82Å; I19-T166 WeakPolarHBondContact CA-O 3.47Å; I19-I167 HydrophobicContact CD1-CG1 4.05Å
20	T	98.9	Very high	96.8	Very high	18 Å²	18	44.7 Å²	44.7	11%	0.11	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.9	168.4	64.5	0	0	0	0	111.8	A24 I165 T166 A168	T20-A24 CarbonylContact C-O 3.47Å; T20-A24 WeakPolarHBondContact CA-O 3.48Å; T20-A24 WeakPolarHBondContact CB-O 3.44Å; T20-I165 CarbonylContact O-C 3.58Å; T20-I165 WeakPolarHBondContact O-CA 3.33Å; T20-T166 PolarHBondContact N-O 3.33Å; T20-T166 PolarHBondContact O-N 3.27Å; T20-A168 HydrophobicContact CG2-CB 3.66Å
21	A	98.8	Very high	98.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.1	167.2	0	0	0	0	0	108.8	G23 A24 L26 Y154 R163 I165	A21-G23 PolarHBondContact O-N 3.01Å; A21-A24 PolarHBondContact N-O 3.08Å; A21-A24 WeakPolarHBondContact O-CB 3.42Å; A21-A24 PolarHBondContact O-N 2.87Å; A21-L26 HydrophobicContact CB-CD1 3.95Å; A21-L26 HydrophobicContact CB-CD2 3.88Å; A21-L26 HydrophobicContact CB-CG 3.91Å; A21-Y154 HydrophobicContact CB-CE2 4.11Å; A21-R163 HydrophobicContact CB-CB 4.25Å; A21-I165 HydrophobicContact CB-CD1 3.65Å
22	D	98.4	Very high	98.7	Very high	96 Å²	96	36.5 Å²	36.5	51%	0.513	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	36.1	-172.4	-55.9	-34.2	0	0	0	112.8	A24 R163 K164	D22-A24 VanDerWaalsContact C-N 3.28Å; D22-A24 PolarHBondContact O-N 3.36Å; D22-R163 WeakPolarHBondContact OD2-CB 3.19Å; D22-R163 VanDerWaalsContact OD2-CD 3.3Å; D22-R163 WeakPolarHBondContact OD2-CD 3.33Å; D22-R163 WeakPolarHBondContact OD2-CG 3.41Å; D22-R163 IonicContact OD2-NE 4Å; D22-K164 PolarHBondContact N-O 3.5Å; D22-K164 WeakPolarHBondContact OD1-CB 3.37Å; D22-K164 PolarHBondContact OD1-N 3.23Å
23	G	98.2	Very high	98.7	Very high	55 Å²	55	34.8 Å²	34.8	57%	0.567	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	-15.7	-178.4	0	0	0	0	0	115.1	A21	A21-G23 PolarHBondContact O-N 3.01Å
24	A	98.5	Very high	98.8	Very high	50 Å²	50	37.1 Å²	37.1	41%	0.413	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128	174.3	0	0	0	0	0	110.8	T20 A21 D22 L26	T20-A24 CarbonylContact C-O 3.47Å; T20-A24 WeakPolarHBondContact CA-O 3.48Å; T20-A24 WeakPolarHBondContact CB-O 3.44Å; A21-A24 PolarHBondContact N-O 3.08Å; A21-A24 WeakPolarHBondContact O-CB 3.42Å; A21-A24 PolarHBondContact O-N 2.87Å; D22-A24 VanDerWaalsContact C-N 3.28Å; D22-A24 PolarHBondContact O-N 3.36Å; A24-L26 PolarHBondContact O-N 3.05Å
25	P	98.6	Very high	98.7	Very high	113 Å²	113	34.4 Å²	34.4	73%	0.734	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	130.4	178.2	-25.9	35.1	0	0	0	113.2
26	L	98.6	Very high	98.7	Very high	22 Å²	22	39.1 Å²	39.1	12%	0.115	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-31.4	170.5	-68.4	-166.6	0	0	0	112.5	I19 A21 A24 V147 K150 M151 Y154 I165	I19-L26 HydrophobicContact CB-CB 4.25Å; I19-L26 HydrophobicContact CG2-CB 4.08Å; I19-L26 HydrophobicContact CG2-CD1 3.88Å; I19-L26 HydrophobicContact CG2-CG 4.28Å; I19-L26 PolarHBondContact O-N 3.34Å; A21-L26 HydrophobicContact CB-CD1 3.95Å; A21-L26 HydrophobicContact CB-CD2 3.88Å; A21-L26 HydrophobicContact CB-CG 3.91Å; A24-L26 PolarHBondContact O-N 3.05Å; L26-V147 HydrophobicContact CB-CG1 4.12Å; L26-K150 HydrophobicContact CD2-CD 3.92Å; L26-K150 HydrophobicContact CD2-CG 4.32Å; L26-M151 HydrophobicContact CD1-CG 3.94Å; L26-Y154 HydrophobicContact CD1-CD2 4.39Å; L26-Y154 HydrophobicContact CD1-CE2 3.86Å; L26-Y154 HydrophobicContact CD2-CE2 4.12Å; L26-I165 HydrophobicContact CD1-CD1 4.4Å
27	G	98.8	Very high	98.7	Very high	31 Å²	31	39.8 Å²	39.8	32%	0.32	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	137.2	-172.4	-178.4	0	0	0	0	0	111.9	I19	I19-G27 PolarHBondContact N-O 3.31Å
28	R	98.9	Very high	98.7	Very high	108 Å²	108	39.8 Å²	39.8	41%	0.408	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140	178.9	177.5	169.6	-70.1	-171.3	-4.3	110.7	F16 F17 D18 V30 G144	F16-R28 HydrophobicContact CB-CG 4.04Å; F16-R28 HydrophobicContact CD2-CG 4.38Å; F17-R28 CarbonylContact O-C 3.46Å; F17-R28 VanDerWaalsContact O-CA 3.29Å; F17-R28 WeakPolarHBondContact O-CA 3.43Å; D18-R28 IonicContact OD1-CZ 2.78Å; D18-R28 VanDerWaalsContact OD1-CZ 3.29Å; D18-R28 IonicContact OD1-NE 3.29Å; D18-R28 PolarHBondContact OD1-NE 3.43Å; D18-R28 IonicContact OD1-NH2 3.88Å; D18-R28 PolarHBondContact OD1-NH2 3.17Å; D18-R28 IonicContact OD2-CZ 3.61Å; D18-R28 IonicContact OD2-NH2 3.3Å; D18-R28 PolarHBondContact OD2-NH2 3.37Å; R28-V30 HydrophobicContact CG-CG2 4.2Å; R28-G144 WeakPolarHBondContact O-CA 3.4Å
29	I	98.9	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.5	167.7	-58	166.9	0	0	0	107.1	F16 F17 I19 M31 I123 V141 E143 V147 V148 M151	F16-I29 CarbonylContact C-O 3.57Å; F16-I29 WeakPolarHBondContact CA-O 3.46Å; F16-I29 WeakPolarHBondContact CB-O 3.35Å; F17-I29 PolarHBondContact N-O 2.92Å; F17-I29 PolarHBondContact O-N 3.28Å; I19-I29 HydrophobicContact CD1-CD1 4.24Å; I19-I29 HydrophobicContact CG1-CD1 3.73Å; I19-I29 HydrophobicContact CG1-CG1 4.23Å; I29-M31 HydrophobicContact CG2-CE 4.2Å; I29-M31 HydrophobicContact CG2-CG 4.03Å; I29-M31 HydrophobicContact CG2-SD 4.22Å; I29-I123 HydrophobicContact CD1-CD1 4.4Å; I29-V141 HydrophobicContact CG2-CB 4.44Å; I29-V141 HydrophobicContact CG2-CG1 3.89Å; I29-V141 HydrophobicContact CG2-CG2 3.77Å; I29-E143 WeakPolarHBondContact CA-O 3.43Å; I29-V147 HydrophobicContact CD1-CG1 4.21Å; I29-V147 HydrophobicContact CG1-CB 3.92Å; I29-V147 HydrophobicContact CG1-CG1 3.93Å; I29-V148 HydrophobicContact CD1-CG2 3.67Å; I29-V148 HydrophobicContact CG1-CG2 4.07Å; I29-V148 HydrophobicContact CG2-CG2 4.32Å; I29-M151 HydrophobicContact CD1-SD 3.65Å
30	V	98.9	Very high	98.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.024	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.6	170.3	-176.1	0	0	0	0	108.6	K14 V15 F16 R28 V141 V142 E143 L173	K14-V30 HydrophobicContact CB-CG1 4.45Å; V15-V30 WeakPolarHBondContact O-CA 3.38Å; F16-V30 HydrophobicContact CB-CG2 4.37Å; R28-V30 HydrophobicContact CG-CG2 4.2Å; V30-V141 CarbonylContact O-C 3.57Å; V30-V141 WeakPolarHBondContact O-CA 3.49Å; V30-V142 HydrophobicContact CB-CG2 4.02Å; V30-V142 HydrophobicContact CG1-CG2 3.65Å; V30-V142 PolarHBondContact O-N 2.98Å; V30-E143 HydrophobicContact CB-CB 3.87Å; V30-E143 HydrophobicContact CB-CG 4.28Å; V30-E143 HydrophobicContact CG2-CB 3.96Å; V30-E143 HydrophobicContact CG2-CG 4.44Å; V30-E143 PolarHBondContact N-O 3.08Å; V30-E143 PolarHBondContact O-N 3.31Å; V30-L173 HydrophobicContact CB-CD1 4.33Å; V30-L173 HydrophobicContact CG1-CD1 3.4Å; V30-L173 HydrophobicContact CG2-CD1 3.96Å
31	M	98.9	Very high	98.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.3	179.9	-63.3	145.3	-72	0	0	109.8	K14 V15 F17 I29 F45 L107 I123 S140 V141	K14-M31 VanDerWaalsContact CA-O 3.3Å; K14-M31 WeakPolarHBondContact CA-O 3.09Å; V15-M31 HydrophobicContact CG2-CB 4.21Å; V15-M31 HydrophobicContact CG2-CE 4.13Å; V15-M31 PolarHBondContact N-O 3.4Å; V15-M31 PolarHBondContact O-N 3.21Å; F17-M31 HydrophobicContact CB-CE 4.39Å; F17-M31 HydrophobicContact CD1-CE 4.26Å; F17-M31 HydrophobicContact CD2-CE 3.51Å; F17-M31 HydrophobicContact CD2-SD 4.08Å; F17-M31 HydrophobicContact CE2-CE 3.76Å; F17-M31 HydrophobicContact CE2-SD 3.98Å; F17-M31 HydrophobicContact CG-CE 3.79Å; F17-M31 HydrophobicContact CZ-CE 4.28Å; I29-M31 HydrophobicContact CG2-CE 4.2Å; I29-M31 HydrophobicContact CG2-CG 4.03Å; I29-M31 HydrophobicContact CG2-SD 4.22Å; M31-F45 HydrophobicContact SD-CE1 4.28Å; M31-F45 HydrophobicContact SD-CZ 4.26Å; M31-L107 HydrophobicContact CB-CD2 4.22Å; M31-L107 HydrophobicContact CG-CD2 4.29Å; M31-L107 HydrophobicContact SD-CD1 4.33Å; M31-L107 HydrophobicContact SD-CD2 4.04Å; M31-I123 HydrophobicContact SD-CD1 4.47Å; M31-S140 CarbonylContact C-O 3.57Å; M31-S140 VanDerWaalsContact CA-O 3.26Å; M31-S140 WeakPolarHBondContact CA-O 3.45Å; M31-V141 HydrophobicContact CG-CG2 4Å
32	E	98.8	Very high	98.6	Very high	60 Å²	60	46.9 Å²	46.9	28%	0.28	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.2	166.7	-179.1	175.3	-143.3	0	0	109.2	N12 K14 G139 S140 V142	N12-E32 HydrophobicContact CB-CG 3.69Å; N12-E32 WeakPolarHBondContact CB-OE1 3.5Å; K14-E32 HydrophobicContact CG-CB 4.37Å; E32-G139 CarbonylContact O-C 3.59Å; E32-G139 WeakPolarHBondContact O-CA 3.43Å; E32-S140 PolarHBondContact N-O 3.45Å; E32-S140 PolarHBondContact O-N 3.25Å; E32-V142 HydrophobicContact CB-CG1 3.69Å
33	L	98.9	Very high	98.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.3	-179.2	-50.7	-177.9	0	0	0	109.4	N12 P13 V15 A35 A42 F45 R46 L107 F138	N12-L33 WeakPolarHBondContact CB-O 3.44Å; N12-L33 PolarHBondContact OD1-O 2.87Å; P13-L33 HydrophobicContact CB-CB 4.49Å; P13-L33 HydrophobicContact CB-CD1 4.41Å; P13-L33 PolarHBondContact O-N 2.86Å; V15-L33 HydrophobicContact CG1-CD1 3.92Å; V15-L33 HydrophobicContact CG2-CD1 4.07Å; V15-L33 HydrophobicContact CG2-CD2 4.02Å; V15-L33 HydrophobicContact CG2-CG 4.13Å; L33-A35 PolarHBondContact O-N 2.98Å; L33-A42 HydrophobicContact CB-CB 3.9Å; L33-F45 HydrophobicContact CD1-CB 4.4Å; L33-F45 HydrophobicContact CD1-CD1 4.03Å; L33-F45 HydrophobicContact CD2-CD1 3.71Å; L33-F45 HydrophobicContact CD2-CE1 4.18Å; L33-F45 HydrophobicContact CD2-CG 4.46Å; L33-R46 HydrophobicContact CD1-CB 3.82Å; L33-L107 HydrophobicContact CD2-CD2 3.82Å; L33-F138 CarbonylContact C-O 3.5Å; L33-F138 WeakPolarHBondContact CA-O 3.48Å; L33-F138 HydrophobicContact CD2-CD2 4.13Å; L33-F138 HydrophobicContact CD2-CE2 4.03Å
34	R	98.6	Very high	98.7	Very high	76 Å²	76	42.7 Å²	42.7	29%	0.287	23%	0.234	S	C	.	.			trans	-77.3	61.6	-177.5	-67.4	-62.3	-54.7	-85.9	4.5	112.1	D36 V37 V38 L99 F138	R34-D36 VanDerWaalsContact C-OD1 3.26Å; R34-D36 VanDerWaalsContact CA-OD1 3.3Å; R34-D36 WeakPolarHBondContact CA-OD1 3.46Å; R34-D36 IonicContact CZ-OD1 2.78Å; R34-D36 IonicContact CZ-OD2 3.86Å; R34-D36 IonicContact NE-OD1 3.62Å; R34-D36 PolarHBondContact NE-OD1 3.2Å; R34-D36 IonicContact NE-OD2 2.73Å; R34-D36 PolarHBondContact NE-OD2 3.11Å; R34-D36 IonicContact NH2-OD1 3.44Å; R34-D36 IonicContact NH2-OD2 3.58Å; R34-D36 PolarHBondContact NH2-OD2 3.16Å; R34-D36 PolarHBondContact O-N 2.86Å; R34-V37 HydrophobicContact CB-CB 4.44Å; R34-V37 PolarHBondContact O-N 2.75Å; R34-V38 HydrophobicContact CB-CG2 4.41Å; R34-V38 WeakPolarHBondContact O-CG2 3.46Å; R34-V38 PolarHBondContact O-N 3.48Å; R34-L99 HydrophobicContact CB-CD1 3.68Å; R34-L99 HydrophobicContact CG-CD1 3.71Å; R34-F138 PolarHBondContact N-O 2.91Å
35	A	98.4	Very high	98.7	Very high	32 Å²	32	40.3 Å²	40.3	26%	0.264	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.5	178	0	0	0	0	0	112.5	N12 P13 L33 V37 P39 A42	N12-A35 PolarHBondContact OD1-N 3.13Å; N12-A35 VanDerWaalsContact OD1-N 3.1Å; P13-A35 HydrophobicContact CG-CB 4.19Å; L33-A35 PolarHBondContact O-N 2.98Å; A35-V37 VanDerWaalsContact C-N 3.25Å; A35-V37 PolarHBondContact O-N 3.17Å; A35-P39 WeakPolarHBondContact O-CA 3.26Å; A35-P39 WeakPolarHBondContact O-CB 3.29Å; A35-P39 WeakPolarHBondContact O-CD 3.2Å; A35-A42 HydrophobicContact CB-CB 3.85Å
36	D	98.1	Very high	98.7	Very high	98 Å²	98	36.1 Å²	36.1	52%	0.524	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.7	170	65.6	-43.2	0	0	0	114.1	N12 R34	N12-D36 PolarHBondContact ND2-OD1 3.45Å; N12-D36 PolarHBondContact OD1-N 3.45Å; N12-D36 VanDerWaalsContact OD1-N 3.13Å; N12-D36 PolarHBondContact OD1-OD1 2.79Å; N12-D36 VanDerWaalsContact OD1-OD1 3.09Å; R34-D36 VanDerWaalsContact C-OD1 3.26Å; R34-D36 VanDerWaalsContact CA-OD1 3.3Å; R34-D36 WeakPolarHBondContact CA-OD1 3.46Å; R34-D36 IonicContact CZ-OD1 2.78Å; R34-D36 IonicContact CZ-OD2 3.86Å; R34-D36 IonicContact NE-OD1 3.62Å; R34-D36 PolarHBondContact NE-OD1 3.2Å; R34-D36 IonicContact NE-OD2 2.73Å; R34-D36 PolarHBondContact NE-OD2 3.11Å; R34-D36 IonicContact NH2-OD1 3.44Å; R34-D36 IonicContact NH2-OD2 3.58Å; R34-D36 PolarHBondContact NH2-OD2 3.16Å; R34-D36 PolarHBondContact O-N 2.86Å
37	V	98.3	Very high	98.7	Very high	31 Å²	31	35.1 Å²	35.1	19%	0.188	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-38	-178	-174.5	0	0	0	0	112.8	R34 A35 N96 T98 L99	R34-V37 HydrophobicContact CB-CB 4.44Å; R34-V37 PolarHBondContact O-N 2.75Å; A35-V37 VanDerWaalsContact C-N 3.25Å; A35-V37 PolarHBondContact O-N 3.17Å; V37-N96 PolarHBondContact O-ND2 2.81Å; V37-T98 HydrophobicContact CG1-CG2 4.25Å; V37-L99 HydrophobicContact CB-CD1 4.3Å; V37-L99 HydrophobicContact CG1-CD1 4.32Å; V37-L99 HydrophobicContact CG1-CG 4.09Å
38	V	98.6	Very high	98.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.			trans	-134.6	65.2	-176.5	-73.2	0	0	0	0	110.6	R34 K40 T41 A42 E95 N96 V136 F138	R34-V38 HydrophobicContact CB-CG2 4.41Å; R34-V38 WeakPolarHBondContact O-CG2 3.46Å; R34-V38 PolarHBondContact O-N 3.48Å; V38-K40 VanDerWaalsContact C-N 3.31Å; V38-K40 PolarHBondContact O-N 3.04Å; V38-T41 PolarHBondContact O-N 3.2Å; V38-A42 VanDerWaalsContact O-CB 3.32Å; V38-A42 WeakPolarHBondContact O-CB 3.3Å; V38-A42 PolarHBondContact O-N 2.87Å; V38-E95 VanDerWaalsContact C-CD 3.48Å; V38-E95 VanDerWaalsContact CA-CD 3.46Å; V38-E95 VanDerWaalsContact CA-OE2 3.25Å; V38-E95 WeakPolarHBondContact CA-OE2 3.41Å; V38-E95 HydrophobicContact CB-CG 4.4Å; V38-E95 VanDerWaalsContact CB-OE2 3.3Å; V38-E95 WeakPolarHBondContact CB-OE2 3.23Å; V38-E95 HydrophobicContact CG1-CB 4.29Å; V38-E95 HydrophobicContact CG1-CG 4.24Å; V38-N96 WeakPolarHBondContact CG1-ND2 3.31Å; V38-V136 HydrophobicContact CG1-CG1 3.97Å; V38-F138 HydrophobicContact CG2-CB 3.52Å
39	P	98.5	Very high	98.7	Very high	71 Å²	71	28.6 Å²	28.6	46%	0.461	14%	0.144	S	C	.	.	H	α-helix	trans	-57.6	-37.7	-173.3	20.7	-32.9	0	0	0	113.8	A35 E43 E95	A35-P39 WeakPolarHBondContact O-CA 3.26Å; A35-P39 WeakPolarHBondContact O-CB 3.29Å; A35-P39 WeakPolarHBondContact O-CD 3.2Å; P39-E43 WeakPolarHBondContact O-CB 3.19Å; P39-E43 PolarHBondContact O-N 2.78Å; P39-E95 WeakPolarHBondContact CD-OE1 3.22Å; P39-E95 WeakPolarHBondContact CG-OE1 3.21Å
40	K	98.7	Very high	98.7	Very high	136 Å²	136	30.2 Å²	30.2	59%	0.591	16%	0.155	S	C	*	.	H	α-helix	trans	-71.3	-41.4	179.2	-66.3	-178.9	175.8	178.5	0	111.7	V38 N44 Y88 E95	V38-K40 VanDerWaalsContact C-N 3.31Å; V38-K40 PolarHBondContact O-N 3.04Å; K40-N44 WeakPolarHBondContact O-CB 3.35Å; K40-N44 PolarHBondContact O-N 3.34Å; K40-Y88 HydrophobicContact CB-CE2 4.34Å; K40-Y88 PolarHBondContact O-OH 3.3Å; K40-E95 WeakPolarHBondContact CB-OE1 3.47Å; K40-E95 PolarHBondContact N-OE1 3.01Å; K40-E95 PolarHBondContact N-OE2 2.71Å
41	T	98.9	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.4	-43.7	179.5	-48.9	0	0	0	0	110.5	V38 N44 F45 F92 E95 M109 V136 F138	V38-T41 PolarHBondContact O-N 3.2Å; T41-N44 PolarHBondContact O-N 2.78Å; T41-F45 PolarHBondContact O-N 3.3Å; T41-F45 VanDerWaalsContact O-N 3.16Å; T41-F92 HydrophobicContact CG2-CE2 4.48Å; T41-F92 HydrophobicContact CG2-CZ 4.28Å; T41-E95 WeakPolarHBondContact CB-OE2 3.49Å; T41-E95 PolarHBondContact N-OE2 2.96Å; T41-E95 PolarHBondContact OG1-OE2 3.45Å; T41-M109 HydrophobicContact CG2-CG 3.59Å; T41-M109 HydrophobicContact CG2-SD 3.96Å; T41-V136 HydrophobicContact CG2-CG1 4.08Å; T41-F138 HydrophobicContact CG2-CB 3.56Å; T41-F138 HydrophobicContact CG2-CD1 3.76Å; T41-F138 HydrophobicContact CG2-CD2 4.38Å; T41-F138 HydrophobicContact CG2-CG 3.66Å
42	A	98.8	Very high	98.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-47	174.9	0	0	0	0	0	111.9	L33 A35 V38 N44 F45 R46	L33-A42 HydrophobicContact CB-CB 3.9Å; A35-A42 HydrophobicContact CB-CB 3.85Å; V38-A42 VanDerWaalsContact O-CB 3.32Å; V38-A42 WeakPolarHBondContact O-CB 3.3Å; V38-A42 PolarHBondContact O-N 2.87Å; A42-N44 PolarHBondContact O-N 3.04Å; A42-F45 PolarHBondContact O-N 3.1Å; A42-R46 WeakPolarHBondContact O-CB 3.39Å; A42-R46 PolarHBondContact O-N 3.39Å
43	E	98.8	Very high	98.6	Very high	63 Å²	63	38 Å²	38	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-40.3	179.6	175.6	53.5	-157.5	0	0	112.4	P39 F45 R46 A47 I87	P39-E43 WeakPolarHBondContact O-CB 3.19Å; P39-E43 PolarHBondContact O-N 2.78Å; E43-F45 VanDerWaalsContact C-N 3.35Å; E43-F45 PolarHBondContact O-N 2.89Å; E43-R46 PolarHBondContact O-N 3.02Å; E43-R46 IonicContact OE1-CZ 2.92Å; E43-R46 IonicContact OE1-NE 2.83Å; E43-R46 IonicContact OE1-NH2 3.01Å; E43-R46 PolarHBondContact OE1-NH2 2.89Å; E43-R46 IonicContact OE2-CZ 3.33Å; E43-R46 IonicContact OE2-NE 2.78Å; E43-R46 PolarHBondContact OE2-NE 3.2Å; E43-R46 IonicContact OE2-NH2 2.91Å; E43-R46 PolarHBondContact OE2-NH2 3.38Å; E43-A47 WeakPolarHBondContact O-CB 3.3Å; E43-A47 PolarHBondContact O-N 3.3Å; E43-I87 HydrophobicContact CG-CD1 4.05Å
44	N	98.9	Very high	98.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.9	-50.3	173	175	65.8	0	0	0	111.6	K40 T41 A42 L48 S86 I87 Y88 F92 G118	K40-N44 WeakPolarHBondContact O-CB 3.35Å; K40-N44 PolarHBondContact O-N 3.34Å; T41-N44 PolarHBondContact O-N 2.78Å; A42-N44 PolarHBondContact O-N 3.04Å; N44-L48 WeakPolarHBondContact O-CB 3.23Å; N44-L48 WeakPolarHBondContact O-CD1 3.26Å; N44-L48 WeakPolarHBondContact O-CG 3.41Å; N44-L48 PolarHBondContact O-N 3.08Å; N44-L48 VanDerWaalsContact O-N 3.12Å; N44-S86 VanDerWaalsContact OD1-CA 3.24Å; N44-S86 WeakPolarHBondContact OD1-CA 3.31Å; N44-S86 VanDerWaalsContact OD1-CB 3.25Å; N44-S86 WeakPolarHBondContact OD1-CB 3.25Å; N44-I87 HydrophobicContact CB-CG1 4.27Å; N44-I87 PolarHBondContact OD1-N 3.45Å; N44-Y88 HydrophobicContact CB-CE2 3.88Å; N44-F92 HydrophobicContact CB-CE1 4.43Å; N44-F92 HydrophobicContact CB-CZ 4.4Å; N44-G118 PolarHBondContact ND2-O 3.16Å
45	F	98.9	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-44.6	-178.7	-166.8	-93.7	0	0	0	112	V15 F17 M31 L33 T41 A42 E43 L48 C49 Y57 L107 F121 F138	V15-F45 HydrophobicContact CG2-CD1 4Å; V15-F45 HydrophobicContact CG2-CE1 3.76Å; F17-F45 HydrophobicContact CE1-CZ 4.47Å; F17-F45 HydrophobicContact CE2-CE1 4.42Å; F17-F45 AromaticContact CE2-CZ 3.74Å; F17-F45 HydrophobicContact CE2-CZ 3.74Å; F17-F45 AromaticContact CZ-CE1 3.9Å; F17-F45 HydrophobicContact CZ-CE1 3.9Å; F17-F45 HydrophobicContact CZ-CE2 4.25Å; F17-F45 AromaticContact CZ-CZ 3.4Å; F17-F45 HydrophobicContact CZ-CZ 3.4Å; F17-F45 VanDerWaalsContact CZ-CZ 3.4Å; M31-F45 HydrophobicContact SD-CE1 4.28Å; M31-F45 HydrophobicContact SD-CZ 4.26Å; L33-F45 HydrophobicContact CD1-CB 4.4Å; L33-F45 HydrophobicContact CD1-CD1 4.03Å; L33-F45 HydrophobicContact CD2-CD1 3.71Å; L33-F45 HydrophobicContact CD2-CE1 4.18Å; L33-F45 HydrophobicContact CD2-CG 4.46Å; T41-F45 PolarHBondContact O-N 3.3Å; T41-F45 VanDerWaalsContact O-N 3.16Å; A42-F45 PolarHBondContact O-N 3.1Å; E43-F45 VanDerWaalsContact C-N 3.35Å; E43-F45 PolarHBondContact O-N 2.89Å; F45-L48 PolarHBondContact O-N 2.89Å; F45-C49 VanDerWaalsContact CE1-SG 3.54Å; F45-C49 PolarHBondContact O-N 2.92Å; F45-C49 PolarHBondContact O-SG 2.8Å; F45-C49 VanDerWaalsContact O-SG 3.32Å; F45-Y57 HydrophobicContact CD1-CE2 4.42Å; F45-Y57 AromaticContact CD2-CE2 3.58Å; F45-Y57 HydrophobicContact CD2-CE2 3.58Å; F45-Y57 AromaticContact CD2-CZ 3.78Å; F45-Y57 VanDerWaalsContact CD2-OH 3.24Å; F45-Y57 WeakPolarHBondContact CD2-OH 3.32Å; F45-Y57 HydrophobicContact CE1-CE2 4.45Å; F45-Y57 AromaticContact CE2-CE2 3.62Å; F45-Y57 HydrophobicContact CE2-CE2 3.62Å; F45-Y57 AromaticContact CE2-CZ 3.85Å; F45-Y57 HydrophobicContact CG-CE2 4.03Å; F45-Y57 HydrophobicContact CZ-CE2 4.09Å; F45-L107 HydrophobicContact CD1-CD2 4.35Å; F45-L107 HydrophobicContact CE1-CD2 3.9Å; F45-L107 HydrophobicContact CE2-CD1 4.31Å; F45-L107 HydrophobicContact CE2-CD2 4.33Å; F45-L107 HydrophobicContact CZ-CD1 4.14Å; F45-L107 HydrophobicContact CZ-CD2 3.87Å; F45-F121 HydrophobicContact CD2-CD1 4.42Å; F45-F121 HydrophobicContact CE2-CB 4.06Å; F45-F121 AromaticContact CE2-CD1 3.55Å; F45-F121 HydrophobicContact CE2-CD1 3.55Å; F45-F121 HydrophobicContact CE2-CD2 4.05Å; F45-F121 AromaticContact CE2-CE1 3.91Å; F45-F121 HydrophobicContact CE2-CE1 3.91Å; F45-F121 HydrophobicContact CE2-CE2 4.38Å; F45-F121 AromaticContact CE2-CG 3.62Å; F45-F121 HydrophobicContact CE2-CG 3.62Å; F45-F121 HydrophobicContact CE2-CZ 4.32Å; F45-F121 HydrophobicContact CZ-CD1 4.39Å; F45-F121 HydrophobicContact CZ-CD2 4.42Å; F45-F121 HydrophobicContact CZ-CE1 4.38Å; F45-F121 HydrophobicContact CZ-CE2 4.42Å; F45-F121 HydrophobicContact CZ-CG 4.4Å; F45-F121 HydrophobicContact CZ-CZ 4.41Å; F45-F138 HydrophobicContact CB-CD2 4.29Å; F45-F138 HydrophobicContact CB-CE2 3.57Å; F45-F138 HydrophobicContact CB-CZ 4.17Å; F45-F138 AromaticContact CD1-CE2 3.94Å; F45-F138 HydrophobicContact CD1-CE2 3.94Å; F45-F138 AromaticContact CD2-CE2 3.5Å; F45-F138 HydrophobicContact CD2-CE2 3.5Å; F45-F138 AromaticContact CD2-CZ 3.37Å; F45-F138 HydrophobicContact CD2-CZ 3.37Å; F45-F138 HydrophobicContact CE1-CE2 4.46Å; F45-F138 HydrophobicContact CE2-CE2 4.08Å; F45-F138 AromaticContact CE2-CZ 3.76Å; F45-F138 HydrophobicContact CE2-CZ 3.76Å; F45-F138 HydrophobicContact CG-CD2 4.49Å; F45-F138 AromaticContact CG-CE2 3.4Å; F45-F138 HydrophobicContact CG-CE2 3.4Å; F45-F138 AromaticContact CG-CZ 3.81Å; F45-F138 HydrophobicContact CG-CZ 3.81Å; F45-F138 HydrophobicContact CZ-CZ 4.48Å
46	R	98.8	Very high	98.5	Very high	26 Å²	26	39.7 Å²	39.7	10%	0.098	23%	0.225	C	C	.	.	H	α-helix	trans	-57.1	-52.5	177.9	-172.6	-154.1	67.9	71.4	6.1	111.7	P13 V15 L33 A42 E43 L48 C49 T50 E52 Q172	P13-R46 HydrophobicContact CB-CG 4.47Å; V15-R46 HydrophobicContact CG1-CB 4.4Å; V15-R46 HydrophobicContact CG1-CG 4.07Å; L33-R46 HydrophobicContact CD1-CB 3.82Å; A42-R46 WeakPolarHBondContact O-CB 3.39Å; A42-R46 PolarHBondContact O-N 3.39Å; E43-R46 PolarHBondContact O-N 3.02Å; E43-R46 IonicContact OE1-CZ 2.92Å; E43-R46 IonicContact OE1-NE 2.83Å; E43-R46 IonicContact OE1-NH2 3.01Å; E43-R46 PolarHBondContact OE1-NH2 2.89Å; E43-R46 IonicContact OE2-CZ 3.33Å; E43-R46 IonicContact OE2-NE 2.78Å; E43-R46 PolarHBondContact OE2-NE 3.2Å; E43-R46 IonicContact OE2-NH2 2.91Å; E43-R46 PolarHBondContact OE2-NH2 3.38Å; R46-L48 PolarHBondContact O-N 2.79Å; R46-C49 WeakPolarHBondContact O-CA 3.4Å; R46-C49 VanDerWaalsContact O-CB 3.3Å; R46-C49 WeakPolarHBondContact O-CB 3.29Å; R46-C49 PolarHBondContact O-N 2.84Å; R46-T50 WeakPolarHBondContact O-CG2 3.32Å; R46-T50 PolarHBondContact O-N 3.43Å; R46-E52 IonicContact CZ-OE2 3.01Å; R46-E52 IonicContact NH1-OE2 2.79Å; R46-E52 PolarHBondContact NH1-OE2 3.01Å; R46-E52 IonicContact NH2-OE1 3.39Å; R46-E52 PolarHBondContact NH2-OE1 3.37Å; R46-E52 IonicContact NH2-OE2 2.71Å; R46-E52 PolarHBondContact NH2-OE2 3.15Å; R46-Q172 VanDerWaalsContact CD-OE1 3.31Å; R46-Q172 VanDerWaalsContact NH1-OE1 3.14Å
47	A	98.8	Very high	98.6	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-29.3	-179.7	0	0	0	0	0	112.7	E43 T50 G51 E52 K53 I87	E43-A47 WeakPolarHBondContact O-CB 3.3Å; E43-A47 PolarHBondContact O-N 3.3Å; A47-T50 PolarHBondContact O-OG1 3.29Å; A47-G51 WeakPolarHBondContact O-CA 3.43Å; A47-G51 PolarHBondContact O-N 2.75Å; A47-E52 HydrophobicContact CB-CG 4.08Å; A47-K53 HydrophobicContact CB-CG 4.46Å; A47-I87 HydrophobicContact CB-CD1 4.01Å; A47-I87 HydrophobicContact CB-CG2 3.89Å
48	L	98.9	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-74.6	-27.9	171.8	-70.7	171.9	0	0	0	112.7	N44 F45 R46 F55 G56 Y57 F76 I87	N44-L48 WeakPolarHBondContact O-CB 3.23Å; N44-L48 WeakPolarHBondContact O-CD1 3.26Å; N44-L48 WeakPolarHBondContact O-CG 3.41Å; N44-L48 PolarHBondContact O-N 3.08Å; N44-L48 VanDerWaalsContact O-N 3.12Å; F45-L48 PolarHBondContact O-N 2.89Å; R46-L48 PolarHBondContact O-N 2.79Å; L48-F55 HydrophobicContact CD2-CD2 3.67Å; L48-F55 HydrophobicContact CD2-CE2 3.63Å; L48-G56 CarbonylContact O-C 3.55Å; L48-G56 WeakPolarHBondContact O-CA 3.44Å; L48-Y57 HydrophobicContact CB-CD2 3.67Å; L48-Y57 HydrophobicContact CB-CE1 4.22Å; L48-Y57 HydrophobicContact CB-CE2 3.3Å; L48-Y57 HydrophobicContact CB-CG 4.28Å; L48-Y57 HydrophobicContact CD1-CE1 4.13Å; L48-Y57 HydrophobicContact CD1-CE2 4.18Å; L48-Y57 WeakPolarHBondContact CD1-OH 3.23Å; L48-Y57 HydrophobicContact CG-CE2 4.39Å; L48-Y57 PolarHBondContact O-N 3.06Å; L48-F76 HydrophobicContact CD1-CE1 4.43Å; L48-F76 HydrophobicContact CD2-CE1 3.68Å; L48-F76 HydrophobicContact CD2-CZ 4Å; L48-I87 HydrophobicContact CD2-CG2 4.21Å; L48-I87 HydrophobicContact CG-CG2 4.06Å
49	C	98.8	Very high	98.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-49.3	169	-67.5	0	0	0	0	111.2	V15 F17 F45 R46 G51 C170	V15-C49 HydrophobicContact CB-CB 4.17Å; V15-C49 HydrophobicContact CG1-CB 4.15Å; F17-C49 VanDerWaalsContact CE1-SG 3.57Å; F45-C49 VanDerWaalsContact CE1-SG 3.54Å; F45-C49 PolarHBondContact O-N 2.92Å; F45-C49 PolarHBondContact O-SG 2.8Å; F45-C49 VanDerWaalsContact O-SG 3.32Å; R46-C49 WeakPolarHBondContact O-CA 3.4Å; R46-C49 VanDerWaalsContact O-CB 3.3Å; R46-C49 WeakPolarHBondContact O-CB 3.29Å; R46-C49 PolarHBondContact O-N 2.84Å; C49-G51 VanDerWaalsContact C-N 3.31Å; C49-G51 PolarHBondContact O-N 2.78Å; C49-C170 CarbonylContact O-C 3.35Å; C49-C170 VanDerWaalsContact O-O 3.11Å; C49-C170 PolarHBondContact O-SG 3.03Å
50	T	98.8	Very high	98.6	Very high	35 Å²	35	44.4 Å²	44.4	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-28.8	-179.6	67.9	0	0	0	0	112.4	R46 A47 E52 D171 Q172	R46-T50 WeakPolarHBondContact O-CG2 3.32Å; R46-T50 PolarHBondContact O-N 3.43Å; A47-T50 PolarHBondContact O-OG1 3.29Å; T50-E52 PolarHBondContact O-N 2.94Å; T50-E52 WeakPolarHBondContact OG1-CB 3.48Å; T50-E52 WeakPolarHBondContact OG1-CG 3.24Å; T50-E52 PolarHBondContact OG1-N 2.82Å; T50-E52 PolarHBondContact OG1-OE2 3.46Å; T50-D171 WeakPolarHBondContact CG2-OD1 3.32Å; T50-Q172 HydrophobicContact CG2-CB 3.87Å
51	G	98.4	Very high	98.6	Very high	26 Å²	26	39.2 Å²	39.2	27%	0.268	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	15.6	-175	0	0	0	0	0	113.5	A47 C49 K53 G54 F55	A47-G51 WeakPolarHBondContact O-CA 3.43Å; A47-G51 PolarHBondContact O-N 2.75Å; C49-G51 VanDerWaalsContact C-N 3.31Å; C49-G51 PolarHBondContact O-N 2.78Å; G51-K53 PolarHBondContact O-N 2.9Å; G51-G54 PolarHBondContact O-N 2.84Å; G51-F55 WeakPolarHBondContact CA-O 3.15Å
52	E	98.2	Very high	98.6	Very high	96 Å²	96	39.3 Å²	39.3	45%	0.449	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.9	-176.4	67.2	-176.7	-131.2	0	0	113.9	R46 A47 T50 G54	R46-E52 IonicContact CZ-OE2 3.01Å; R46-E52 IonicContact NH1-OE2 2.79Å; R46-E52 PolarHBondContact NH1-OE2 3.01Å; R46-E52 IonicContact NH2-OE1 3.39Å; R46-E52 PolarHBondContact NH2-OE1 3.37Å; R46-E52 IonicContact NH2-OE2 2.71Å; R46-E52 PolarHBondContact NH2-OE2 3.15Å; A47-E52 HydrophobicContact CB-CG 4.08Å; T50-E52 PolarHBondContact O-N 2.94Å; T50-E52 WeakPolarHBondContact OG1-CB 3.48Å; T50-E52 WeakPolarHBondContact OG1-CG 3.24Å; T50-E52 PolarHBondContact OG1-N 2.82Å; T50-E52 PolarHBondContact OG1-OE2 3.46Å; E52-G54 VanDerWaalsContact C-N 3.3Å
53	K	97.3	Very high	98.6	Very high	105 Å²	105	40.6 Å²	40.6	46%	0.457	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	7.3	174.6	-53.9	-57.4	178	-169.9	0	113.5	A47 G51 F55 I87	A47-K53 HydrophobicContact CB-CG 4.46Å; G51-K53 PolarHBondContact O-N 2.9Å; K53-F55 VanDerWaalsContact C-N 3.31Å; K53-F55 HydrophobicContact CB-CD1 4.28Å; K53-F55 HydrophobicContact CB-CE1 3.79Å; K53-F55 HydrophobicContact CB-CZ 3.99Å; K53-F55 VanDerWaalsContact O-CD1 3.24Å; K53-F55 WeakPolarHBondContact O-CD1 3.35Å; K53-F55 WeakPolarHBondContact O-CE1 3.44Å; K53-I87 HydrophobicContact CG-CB 4.21Å; K53-I87 HydrophobicContact CG-CG2 3.9Å
54	G	98.2	Very high	98.6	Very high	76 Å²	76	41.8 Å²	41.8	78%	0.784	21%	0.213	S	C	*	.	S	Bend	trans	82.4	3.6	-178.4	0	0	0	0	0	114.6	G51 E52	G51-G54 PolarHBondContact O-N 2.84Å; E52-G54 VanDerWaalsContact C-N 3.3Å
55	F	98.4	Very high	98.6	Very high	53 Å²	53	41.8 Å²	41.8	23%	0.232	21%	0.213	C	C	.	.			trans	-149.3	156.3	174.9	57.4	-90.7	0	0	0	109.4	L48 G51 K53 F76 K85	L48-F55 HydrophobicContact CD2-CD2 3.67Å; L48-F55 HydrophobicContact CD2-CE2 3.63Å; G51-F55 WeakPolarHBondContact CA-O 3.15Å; K53-F55 VanDerWaalsContact C-N 3.31Å; K53-F55 HydrophobicContact CB-CD1 4.28Å; K53-F55 HydrophobicContact CB-CE1 3.79Å; K53-F55 HydrophobicContact CB-CZ 3.99Å; K53-F55 VanDerWaalsContact O-CD1 3.24Å; K53-F55 WeakPolarHBondContact O-CD1 3.35Å; K53-F55 WeakPolarHBondContact O-CE1 3.44Å; F55-F76 HydrophobicContact CB-CE2 4.24Å; F55-F76 HydrophobicContact CD2-CE1 4.39Å; F55-F76 AromaticContact CD2-CE2 3.8Å; F55-F76 HydrophobicContact CD2-CE2 3.8Å; F55-F76 AromaticContact CD2-CZ 3.51Å; F55-F76 HydrophobicContact CD2-CZ 3.51Å; F55-F76 HydrophobicContact CE2-CZ 4.06Å; F55-F76 HydrophobicContact CG-CE2 4.36Å; F55-F76 HydrophobicContact CG-CZ 4.48Å; F55-K85 HydrophobicContact CD2-CG 4.5Å; F55-K85 HydrophobicContact CE2-CD 4.45Å; F55-K85 HydrophobicContact CE2-CG 4.13Å
56	G	98.4	Very high	98.6	Very high	14 Å²	14	42.9 Å²	42.9	14%	0.144	22%	0.218	C	C	.	.			trans	174.5	-168.6	-175.6	0	0	0	0	0	114.3	L48 F76	L48-G56 CarbonylContact O-C 3.55Å; L48-G56 WeakPolarHBondContact O-CA 3.44Å; G56-F76 WeakPolarHBondContact O-CB 3.45Å
57	Y	98.9	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-77.4	-18.7	-172.3	-63.7	-48.9	0	0	0	114.7	F17 F45 L48 R59 S60 F76 S119 F121	F17-Y57 AromaticContact CE1-CD2 3.93Å; F17-Y57 HydrophobicContact CE1-CD2 3.93Å; F17-Y57 HydrophobicContact CE1-CG 4.31Å; F17-Y57 AromaticContact CZ-CD2 3.85Å; F17-Y57 HydrophobicContact CZ-CD2 3.85Å; F17-Y57 HydrophobicContact CZ-CE2 4.38Å; F17-Y57 HydrophobicContact CZ-CG 4.27Å; F45-Y57 HydrophobicContact CD1-CE2 4.42Å; F45-Y57 AromaticContact CD2-CE2 3.58Å; F45-Y57 HydrophobicContact CD2-CE2 3.58Å; F45-Y57 AromaticContact CD2-CZ 3.78Å; F45-Y57 VanDerWaalsContact CD2-OH 3.24Å; F45-Y57 WeakPolarHBondContact CD2-OH 3.32Å; F45-Y57 HydrophobicContact CE1-CE2 4.45Å; F45-Y57 AromaticContact CE2-CE2 3.62Å; F45-Y57 HydrophobicContact CE2-CE2 3.62Å; F45-Y57 AromaticContact CE2-CZ 3.85Å; F45-Y57 HydrophobicContact CG-CE2 4.03Å; F45-Y57 HydrophobicContact CZ-CE2 4.09Å; L48-Y57 HydrophobicContact CB-CD2 3.67Å; L48-Y57 HydrophobicContact CB-CE1 4.22Å; L48-Y57 HydrophobicContact CB-CE2 3.3Å; L48-Y57 HydrophobicContact CB-CG 4.28Å; L48-Y57 HydrophobicContact CD1-CE1 4.13Å; L48-Y57 HydrophobicContact CD1-CE2 4.18Å; L48-Y57 WeakPolarHBondContact CD1-OH 3.23Å; L48-Y57 HydrophobicContact CG-CE2 4.39Å; L48-Y57 PolarHBondContact O-N 3.06Å; Y57-R59 PolarHBondContact O-N 3.39Å; Y57-S60 WeakPolarHBondContact O-CB 3.34Å; Y57-S60 PolarHBondContact O-N 2.87Å; Y57-S60 PolarHBondContact O-OG 2.86Å; Y57-F76 HydrophobicContact CD1-CD1 4.24Å; Y57-F76 HydrophobicContact CE1-CD1 4.38Å; Y57-S119 VanDerWaalsContact CE1-O 3.25Å; Y57-S119 WeakPolarHBondContact CE1-O 3.48Å; Y57-S119 PolarHBondContact OH-O 2.85Å; Y57-F121 HydrophobicContact CD1-CE1 4.16Å; Y57-F121 HydrophobicContact CE1-CD1 4.04Å; Y57-F121 AromaticContact CE1-CE1 3.89Å; Y57-F121 HydrophobicContact CE1-CE1 3.89Å
58	K	98.8	Very high	98.6	Very high	109 Å²	109	46.7 Å²	46.7	47%	0.474	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	126.2	-179.6	-174.1	167.8	-176.8	160.5	0	110.6	S60 N169 C170	K58-S60 PolarHBondContact O-N 2.86Å; K58-N169 VanDerWaalsContact CE-OD1 3.25Å; K58-N169 WeakPolarHBondContact CE-OD1 3.46Å; K58-N169 PolarHBondContact NZ-OD1 3.03Å; K58-C170 PolarHBondContact N-SG 3.21Å
59	R	98.5	Very high	98.5	Very high	190 Å²	190	48.7 Å²	48.7	72%	0.717	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	4.4	-174.3	-59.4	172.9	-81.3	175.7	-7.8	115.7	Y57 I167	Y57-R59 PolarHBondContact O-N 3.39Å; R59-I167 WeakPolarHBondContact CA-O 3.48Å; R59-I167 PolarHBondContact N-O 2.93Å
60	S	98.7	Very high	98.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	26%	0.263	C	S	.	.			trans	-76.2	171.4	168.2	78.5	0	0	0	0	111.4	Y57 K58 T166 I167	Y57-S60 WeakPolarHBondContact O-CB 3.34Å; Y57-S60 PolarHBondContact O-N 2.87Å; Y57-S60 PolarHBondContact O-OG 2.86Å; K58-S60 PolarHBondContact O-N 2.86Å; S60-T166 WeakPolarHBondContact O-CG2 3.45Å; S60-I167 PolarHBondContact O-N 2.84Å
61	I	98.8	Very high	98.5	Very high	27 Å²	27	47 Å²	47	14%	0.138	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-124.5	155.2	-172.9	65.6	168	0	0	0	112.8	H63 G73 H79 K164 I165 T166	I61-H63 HydrophobicContact CD1-CB 3.98Å; I61-H63 HydrophobicContact CG1-CB 4.04Å; I61-H63 PolarHBondContact O-N 3.48Å; I61-G73 WeakPolarHBondContact O-CA 3.26Å; I61-H79 HydrophobicContact CD1-CB 4.02Å; I61-H79 HydrophobicContact CG1-CB 4.1Å; I61-K164 HydrophobicContact CG2-CG 4.08Å; I61-I165 CarbonylContact C-O 3.35Å; I61-I165 VanDerWaalsContact CA-O 3.23Å; I61-I165 WeakPolarHBondContact CA-O 3.46Å; I61-I165 VanDerWaalsContact CB-O 3.31Å; I61-I165 WeakPolarHBondContact CB-O 3.37Å; I61-T166 HydrophobicContact CG2-CG2 4.47Å
62	F	98.9	Very high	98.5	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	25%	0.247	C	C	.	.			trans	-80.5	96.4	158.8	-70.8	-96.5	0	0	0	107.9	F17 I19 I65 C71 Q72 F121 I123 M151 I165 I167	F17-F62 HydrophobicContact CD2-CZ 4.36Å; I19-F62 HydrophobicContact CD1-CE2 3.72Å; F62-I65 HydrophobicContact CB-CD1 4.03Å; F62-I65 HydrophobicContact CB-CG1 4.22Å; F62-C71 HydrophobicContact CD1-CB 3.97Å; F62-C71 HydrophobicContact CE1-CB 4.25Å; F62-Q72 CarbonylContact C-O 3.42Å; F62-Q72 VanDerWaalsContact CA-O 3.23Å; F62-Q72 WeakPolarHBondContact CA-O 3.41Å; F62-F121 AromaticContact CE1-CE2 3.71Å; F62-F121 HydrophobicContact CE1-CE2 3.71Å; F62-F121 AromaticContact CE1-CZ 3.99Å; F62-F121 HydrophobicContact CE1-CZ 3.99Å; F62-F121 AromaticContact CZ-CE2 3.84Å; F62-F121 HydrophobicContact CZ-CE2 3.84Å; F62-F121 AromaticContact CZ-CZ 3.82Å; F62-F121 HydrophobicContact CZ-CZ 3.82Å; F62-I123 HydrophobicContact CE1-CD1 4.37Å; F62-I123 HydrophobicContact CZ-CD1 4.39Å; F62-M151 HydrophobicContact CB-CE 4.32Å; F62-M151 HydrophobicContact CD1-CE 3.55Å; F62-M151 HydrophobicContact CD2-CE 3.43Å; F62-M151 VanDerWaalsContact CD2-CE 3.43Å; F62-M151 HydrophobicContact CE1-CE 3.56Å; F62-M151 HydrophobicContact CE2-CE 3.45Å; F62-M151 VanDerWaalsContact CE2-CE 3.45Å; F62-M151 HydrophobicContact CG-CE 3.48Å; F62-M151 VanDerWaalsContact CG-CE 3.48Å; F62-M151 HydrophobicContact CZ-CE 3.52Å; F62-I165 HydrophobicContact CB-CB 4.11Å; F62-I165 HydrophobicContact CB-CG2 4.07Å; F62-I165 HydrophobicContact CD2-CG2 3.95Å; F62-I165 HydrophobicContact CG-CG2 4.3Å; F62-I165 PolarHBondContact N-O 3.47Å; F62-I167 HydrophobicContact CD2-CG1 4.22Å; F62-I167 HydrophobicContact CE2-CD1 3.92Å; F62-I167 HydrophobicContact CE2-CG1 3.63Å; F62-I167 HydrophobicContact CZ-CD1 4.41Å
63	H	98.7	Very high	98.6	Very high	29 Å²	29	42.6 Å²	42.6	13%	0.134	23%	0.225	C	C	.	.			trans	-85.1	-14	-172.2	59.7	-87	0	0	0	112.8	I61 Q72 G81 Q120	I61-H63 HydrophobicContact CD1-CB 3.98Å; I61-H63 HydrophobicContact CG1-CB 4.04Å; I61-H63 PolarHBondContact O-N 3.48Å; H63-Q72 PolarHBondContact N-O 2.79Å; H63-Q72 VanDerWaalsContact N-O 3.15Å; H63-G81 VanDerWaalsContact NE2-CA 3.28Å; H63-G81 WeakPolarHBondContact NE2-CA 3.38Å; H63-Q120 PolarHBondContact CE1-OE1 3.45Å; H63-Q120 PolarHBondContact NE2-OE1 3.42Å
64	R	98.8	Very high	98.6	Very high	87 Å²	87	37.6 Å²	37.6	33%	0.328	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	113.5	-178.8	-170.9	179.7	174.7	-99.7	2.6	111.1	I66 M70 Q72 G159	R64-I66 VanDerWaalsContact CZ-CD1 3.45Å; R64-M70 HydrophobicContact CG-CE 4.22Å; R64-Q72 HydrophobicContact CB-CB 4.23Å; R64-Q72 PolarHBondContact N-O 2.83Å; R64-Q72 WeakPolarHBondContact O-CA 3.38Å; R64-Q72 WeakPolarHBondContact O-CB 3.48Å; R64-Q72 PolarHBondContact O-N 2.86Å; R64-G159 CarbonylContact C-O 3.52Å; R64-G159 VanDerWaalsContact CA-O 3.26Å; R64-G159 WeakPolarHBondContact CA-O 3.35Å
65	I	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	121.1	179.4	-59.3	179.3	0	0	0	109.2	F62 C71 M151 G155 S156 G159 T161 I165	F62-I65 HydrophobicContact CB-CD1 4.03Å; F62-I65 HydrophobicContact CB-CG1 4.22Å; I65-C71 HydrophobicContact CG1-CB 4.32Å; I65-M151 HydrophobicContact CD1-CB 4.36Å; I65-G155 WeakPolarHBondContact O-CA 3.44Å; I65-S156 PolarHBondContact O-N 2.83Å; I65-S156 VanDerWaalsContact O-N 3.09Å; I65-G159 PolarHBondContact N-O 2.92Å; I65-G159 CarbonylContact O-C 3.55Å; I65-G159 VanDerWaalsContact O-CA 3.29Å; I65-G159 WeakPolarHBondContact O-CA 3.4Å; I65-T161 HydrophobicContact CB-CG2 4.03Å; I65-T161 HydrophobicContact CD1-CG2 3.74Å; I65-T161 HydrophobicContact CG1-CG2 3.77Å; I65-I165 HydrophobicContact CD1-CB 4.34Å; I65-I165 HydrophobicContact CD1-CG1 3.89Å
66	I	98.8	Very high	98.6	Very high	23 Å²	23	32.8 Å²	32.8	12%	0.118	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.3	178.3	-62.8	-179	0	0	0	108.3	R64 F69 M70	R64-I66 VanDerWaalsContact CZ-CD1 3.45Å; I66-F69 HydrophobicContact CB-CB 4.07Å; I66-F69 HydrophobicContact CB-CD1 4.05Å; I66-F69 HydrophobicContact CD1-CD1 4.1Å; I66-F69 HydrophobicContact CG2-CB 3.84Å; I66-F69 HydrophobicContact CG2-CD1 4.15Å; I66-F69 PolarHBondContact O-N 3.23Å; I66-F69 VanDerWaalsContact O-N 3.16Å; I66-M70 HydrophobicContact CB-CE 3.88Å; I66-M70 HydrophobicContact CD1-CE 4Å; I66-M70 HydrophobicContact CG1-CE 3.75Å; I66-M70 PolarHBondContact N-O 2.98Å; I66-M70 PolarHBondContact O-N 3.02Å; I66-M70 VanDerWaalsContact O-N 3.11Å
67	P	98.6	Very high	98.6	Very high	62 Å²	62	35.6 Å²	35.6	40%	0.403	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	139.7	174.8	-23.5	33.6	0	0	0	112.5	F69 E152	P67-F69 VanDerWaalsContact C-N 3.26Å; P67-E152 WeakPolarHBondContact CA-OE1 3.09Å; P67-E152 HydrophobicContact CB-CG 4.11Å
68	G	97.9	Very high	98.6	Very high	44 Å²	44	41.3 Å²	41.3	45%	0.454	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	18.4	-173.6	0	0	0	0	0	113.6	E126 E152	G68-E126 WeakPolarHBondContact O-CG 3.5Å; G68-E152 PolarHBondContact N-OE1 2.74Å
69	F	98.4	Very high	98.5	Very high	42 Å²	42	40.2 Å²	40.2	18%	0.184	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.1	-76.7	-178	-177.3	-149	0	0	0	112.8	I66 P67 T125 T128 W130 L131	I66-F69 HydrophobicContact CB-CB 4.07Å; I66-F69 HydrophobicContact CB-CD1 4.05Å; I66-F69 HydrophobicContact CD1-CD1 4.1Å; I66-F69 HydrophobicContact CG2-CB 3.84Å; I66-F69 HydrophobicContact CG2-CD1 4.15Å; I66-F69 PolarHBondContact O-N 3.23Å; I66-F69 VanDerWaalsContact O-N 3.16Å; P67-F69 VanDerWaalsContact C-N 3.26Å; F69-T125 PolarHBondContact N-OG1 3.27Å; F69-T125 PolarHBondContact O-N 2.9Å; F69-T125 PolarHBondContact O-OG1 3.18Å; F69-T128 HydrophobicContact CD2-CG2 3.64Å; F69-T128 HydrophobicContact CE2-CG2 3.84Å; F69-W130 AromaticContact CD2-CZ2 3.91Å; F69-W130 HydrophobicContact CD2-CZ2 3.91Å; F69-W130 AromaticContact CE2-CZ2 3.91Å; F69-W130 HydrophobicContact CE2-CZ2 3.91Å; F69-W130 AromaticContact CE2-NE1 3.76Å; F69-L131 HydrophobicContact CE2-CD1 3.95Å; F69-L131 HydrophobicContact CZ-CD1 4.27Å
70	M	98.6	Very high	98.4	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	164	-173.1	60	81	-123.2	0	0	114.5	R64 I66 Q72 F122 I123 T125	R64-M70 HydrophobicContact CG-CE 4.22Å; I66-M70 HydrophobicContact CB-CE 3.88Å; I66-M70 HydrophobicContact CD1-CE 4Å; I66-M70 HydrophobicContact CG1-CE 3.75Å; I66-M70 PolarHBondContact N-O 2.98Å; I66-M70 PolarHBondContact O-N 3.02Å; I66-M70 VanDerWaalsContact O-N 3.11Å; M70-Q72 HydrophobicContact CE-CB 4.38Å; M70-Q72 HydrophobicContact SD-CB 3.54Å; M70-Q72 VanDerWaalsContact SD-CB 3.54Å; M70-F122 HydrophobicContact CB-CB 4.2Å; M70-F122 HydrophobicContact CB-CD2 4.06Å; M70-F122 HydrophobicContact CB-CG 4.47Å; M70-F122 HydrophobicContact CG-CB 4.32Å; M70-F122 HydrophobicContact CG-CD2 4.43Å; M70-F122 HydrophobicContact SD-CB 3.97Å; M70-I123 CarbonylContact C-O 3.57Å; M70-I123 VanDerWaalsContact CA-O 3.26Å; M70-I123 WeakPolarHBondContact CA-O 3.22Å; M70-I123 WeakPolarHBondContact CB-O 3.5Å; M70-T125 PolarHBondContact N-OG1 3.1Å
71	C	98.9	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	110.5	169.5	-64.3	0	0	0	0	109.7	F62 I65 F122 I123 M151	F62-C71 HydrophobicContact CD1-CB 3.97Å; F62-C71 HydrophobicContact CE1-CB 4.25Å; I65-C71 HydrophobicContact CG1-CB 4.32Å; C71-F122 CarbonylContact O-C 3.57Å; C71-F122 VanDerWaalsContact O-CA 3.24Å; C71-F122 WeakPolarHBondContact O-CA 3.42Å; C71-I123 PolarHBondContact N-O 2.91Å; C71-I123 PolarHBondContact O-N 3.09Å; C71-M151 HydrophobicContact CB-CE 4.19Å
72	Q	98.9	Very high	98.2	Very high	29 Å²	29	40 Å²	40	14%	0.136	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.6	-178	176	179.5	-6.6	0	0	112.4	F62 H63 R64 M70 A110 Q120 F121 F122	F62-Q72 CarbonylContact C-O 3.42Å; F62-Q72 VanDerWaalsContact CA-O 3.23Å; F62-Q72 WeakPolarHBondContact CA-O 3.41Å; H63-Q72 PolarHBondContact N-O 2.79Å; H63-Q72 VanDerWaalsContact N-O 3.15Å; R64-Q72 HydrophobicContact CB-CB 4.23Å; R64-Q72 PolarHBondContact N-O 2.83Å; R64-Q72 WeakPolarHBondContact O-CA 3.38Å; R64-Q72 WeakPolarHBondContact O-CB 3.48Å; R64-Q72 PolarHBondContact O-N 2.86Å; M70-Q72 HydrophobicContact CE-CB 4.38Å; M70-Q72 HydrophobicContact SD-CB 3.54Å; M70-Q72 VanDerWaalsContact SD-CB 3.54Å; Q72-A110 HydrophobicContact CG-CB 4.49Å; Q72-Q120 VanDerWaalsContact NE2-OE1 3.1Å; Q72-F121 WeakPolarHBondContact CA-O 3.46Å; Q72-F121 WeakPolarHBondContact CG-O 3.32Å; Q72-F122 HydrophobicContact CB-CB 4.06Å
73	G	98.8	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	-162.5	-178.3	0	0	0	0	0	112.5	I61 Q120 F121	I61-G73 WeakPolarHBondContact O-CA 3.26Å; G73-Q120 VanDerWaalsContact O-CA 3.27Å; G73-Q120 WeakPolarHBondContact O-CA 3.32Å; G73-F121 PolarHBondContact N-O 3.42Å; G73-F121 PolarHBondContact O-N 3.26Å; G73-F121 VanDerWaalsContact O-N 3.13Å
74	G	98.5	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.			trans	87.7	2.3	172.4	0	0	0	0	0	116.2	F76 S119	G74-F76 WeakPolarHBondContact O-CD1 3.49Å; G74-F76 PolarHBondContact O-N 3.19Å; G74-S119 WeakPolarHBondContact O-CB 3.44Å; G74-S119 PolarHBondContact O-OG 2.81Å
75	D	98.6	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-82.7	90	164.6	-177.7	-0.1	0	0	0	109.5	T77 K78 H79 N80 G81 T82 G83 G84 Q120	D75-T77 PolarHBondContact OD1-N 3.09Å; D75-K78 PolarHBondContact OD1-N 2.85Å; D75-H79 WeakPolarHBondContact O-CA 3.15Å; D75-H79 PolarHBondContact O-N 2.89Å; D75-H79 PolarHBondContact O-ND1 3.21Å; D75-H79 PolarHBondContact OD1-N 2.97Å; D75-H79 PolarHBondContact OD2-N 2.86Å; D75-H79 VanDerWaalsContact OD2-N 3.12Å; D75-N80 PolarHBondContact OD2-N 3.46Å; D75-N80 PolarHBondContact OD2-OD1 2.93Å; D75-G81 PolarHBondContact OD2-N 3.44Å; D75-T82 PolarHBondContact OD2-N 2.85Å; D75-G83 VanDerWaalsContact OD1-CA 3.27Å; D75-G83 WeakPolarHBondContact OD1-CA 3.37Å; D75-G83 PolarHBondContact OD2-N 2.8Å; D75-G83 VanDerWaalsContact OD2-N 3.17Å; D75-G84 PolarHBondContact OD1-N 3.19Å; D75-Q120 HydrophobicContact CB-CG 4.12Å
76	F	98.2	Very high	98	Very high	28 Å²	28	39.7 Å²	39.7	12%	0.123	23%	0.23	C	C	.	.			trans	-91.4	-2.1	177.9	59.4	-106.1	0	0	0	113.7	L48 F55 G56 Y57 G74 H79 K85 S119	L48-F76 HydrophobicContact CD1-CE1 4.43Å; L48-F76 HydrophobicContact CD2-CE1 3.68Å; L48-F76 HydrophobicContact CD2-CZ 4Å; F55-F76 HydrophobicContact CB-CE2 4.24Å; F55-F76 HydrophobicContact CD2-CE1 4.39Å; F55-F76 AromaticContact CD2-CE2 3.8Å; F55-F76 HydrophobicContact CD2-CE2 3.8Å; F55-F76 AromaticContact CD2-CZ 3.51Å; F55-F76 HydrophobicContact CD2-CZ 3.51Å; F55-F76 HydrophobicContact CE2-CZ 4.06Å; F55-F76 HydrophobicContact CG-CE2 4.36Å; F55-F76 HydrophobicContact CG-CZ 4.48Å; G56-F76 WeakPolarHBondContact O-CB 3.45Å; Y57-F76 HydrophobicContact CD1-CD1 4.24Å; Y57-F76 HydrophobicContact CE1-CD1 4.38Å; G74-F76 WeakPolarHBondContact O-CD1 3.49Å; G74-F76 PolarHBondContact O-N 3.19Å; F76-H79 PolarHBondContact O-CE1 2.95Å; F76-K85 HydrophobicContact CE2-CG 4.06Å; F76-K85 HydrophobicContact CZ-CG 3.77Å; F76-K85 WeakPolarHBondContact CZ-O 3.38Å; F76-S119 VanDerWaalsContact CE1-OG 3.26Å; F76-S119 WeakPolarHBondContact CE1-OG 3.44Å
77	T	97.9	Very high	98	Very high	72 Å²	72	40.2 Å²	40.2	44%	0.442	23%	0.233	S	C	.	.	S	Bend	trans	-104	-35.2	-178.2	64.2	0	0	0	0	113.2	D75 G83 G84	D75-T77 PolarHBondContact OD1-N 3.09Å; T77-G83 VanDerWaalsContact OG1-CA 3.31Å; T77-G83 WeakPolarHBondContact OG1-CA 3.45Å; T77-G84 PolarHBondContact OG1-N 2.9Å
78	K	97.8	Very high	98	Very high	121 Å²	121	42.3 Å²	42.3	53%	0.526	23%	0.234	S	C	.	.	S	Bend	trans	-125.1	-15.5	-179.2	-65.7	-177	-177.8	170.7	0	113.8	D75 N80 T82	D75-K78 PolarHBondContact OD1-N 2.85Å; K78-N80 WeakPolarHBondContact CB-OD1 3.29Å; K78-N80 PolarHBondContact O-N 3.27Å; K78-T82 WeakPolarHBondContact CD-OG1 3.4Å; K78-T82 PolarHBondContact NZ-O 3.02Å
79	H	96.9	Very high	98	Very high	86 Å²	86	41.9 Å²	41.9	40%	0.398	23%	0.229	S	C	.	.	S	Bend	trans	57.7	27.6	176.9	-51.8	-58.2	0	0	0	114.6	I61 D75 F76	I61-H79 HydrophobicContact CD1-CB 4.02Å; I61-H79 HydrophobicContact CG1-CB 4.1Å; D75-H79 WeakPolarHBondContact O-CA 3.15Å; D75-H79 PolarHBondContact O-N 2.89Å; D75-H79 PolarHBondContact O-ND1 3.21Å; D75-H79 PolarHBondContact OD1-N 2.97Å; D75-H79 PolarHBondContact OD2-N 2.86Å; D75-H79 VanDerWaalsContact OD2-N 3.12Å; F76-H79 PolarHBondContact O-CE1 2.95Å
80	N	96.7	Very high	97.8	Very high	95 Å²	95	46 Å²	46	51%	0.508	25%	0.254	S	S	.	.	S	Bend	trans	-139.5	5.4	-175.5	67.4	11.9	0	0	0	114	D75 K78 T82	D75-N80 PolarHBondContact OD2-N 3.46Å; D75-N80 PolarHBondContact OD2-OD1 2.93Å; K78-N80 WeakPolarHBondContact CB-OD1 3.29Å; K78-N80 PolarHBondContact O-N 3.27Å; N80-T82 WeakPolarHBondContact OD1-CB 3.38Å; N80-T82 PolarHBondContact OD1-N 3.34Å; N80-T82 PolarHBondContact OD1-OG1 3.36Å
81	G	96.3	Very high	97.7	Very high	28 Å²	28	49.7 Å²	49.7	29%	0.289	28%	0.276	S	S	.	.	S	Bend	trans	90.7	-0.6	179.8	0	0	0	0	0	114.2	H63 D75 Q120	H63-G81 VanDerWaalsContact NE2-CA 3.28Å; H63-G81 WeakPolarHBondContact NE2-CA 3.38Å; D75-G81 PolarHBondContact OD2-N 3.44Å; G81-Q120 VanDerWaalsContact C-NE2 3.26Å; G81-Q120 PolarHBondContact O-NE2 2.92Å
82	T	96.9	Very high	97.7	Very high	89 Å²	89	50.8 Å²	50.8	55%	0.546	28%	0.281	S	S	.	.	S	Bend	trans	-105.5	5	179.3	71.8	0	0	0	0	113.6	D75 K78 N80	D75-T82 PolarHBondContact OD2-N 2.85Å; K78-T82 WeakPolarHBondContact CD-OG1 3.4Å; K78-T82 PolarHBondContact NZ-O 3.02Å; N80-T82 WeakPolarHBondContact OD1-CB 3.38Å; N80-T82 PolarHBondContact OD1-N 3.34Å; N80-T82 PolarHBondContact OD1-OG1 3.36Å
83	G	97.3	Very high	97.7	Very high	15 Å²	15	52 Å²	52	16%	0.155	30%	0.296	C	S	.	.			trans	-120.6	-154.3	-179.5	0	0	0	0	0	113.2	D75 T77 Q120	D75-G83 VanDerWaalsContact OD1-CA 3.27Å; D75-G83 WeakPolarHBondContact OD1-CA 3.37Å; D75-G83 PolarHBondContact OD2-N 2.8Å; D75-G83 VanDerWaalsContact OD2-N 3.17Å; T77-G83 VanDerWaalsContact OG1-CA 3.31Å; T77-G83 WeakPolarHBondContact OG1-CA 3.45Å; G83-Q120 PolarHBondContact O-NE2 2.95Å
84	G	97.7	Very high	97.7	Very high	20 Å²	20	53.2 Å²	53.2	21%	0.206	30%	0.302	C	S	.	.			trans	88.7	159.7	-169.3	0	0	0	0	0	113.6	D75 T77 S119	D75-G84 PolarHBondContact OD1-N 3.19Å; T77-G84 PolarHBondContact OG1-N 2.9Å; G84-S119 WeakPolarHBondContact CA-OG 3.25Å
85	K	98.4	Very high	97.7	Very high	74 Å²	74	55.8 Å²	55.8	32%	0.322	31%	0.314	S	S	.	.			trans	-157.7	149.4	171.2	64	176.8	-174.4	174.6	0	109.4	F55 F76 S119	F55-K85 HydrophobicContact CD2-CG 4.5Å; F55-K85 HydrophobicContact CE2-CD 4.45Å; F55-K85 HydrophobicContact CE2-CG 4.13Å; F76-K85 HydrophobicContact CE2-CG 4.06Å; F76-K85 HydrophobicContact CZ-CG 3.77Å; F76-K85 WeakPolarHBondContact CZ-O 3.38Å; K85-S119 PolarHBondContact N-OG 3.17Å; K85-S119 VanDerWaalsContact O-CB 3.32Å; K85-S119 WeakPolarHBondContact O-CB 3.31Å
86	S	98.6	Very high	97.7	Very high	2 Å²	2	58 Å²	58	1%	0.014	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-78.8	171.5	174.7	75.7	0	0	0	0	111.9	N44 Y88 G89	N44-S86 VanDerWaalsContact OD1-CA 3.24Å; N44-S86 WeakPolarHBondContact OD1-CA 3.31Å; N44-S86 VanDerWaalsContact OD1-CB 3.25Å; N44-S86 WeakPolarHBondContact OD1-CB 3.25Å; S86-Y88 PolarHBondContact O-N 2.73Å; S86-Y88 PolarHBondContact OG-N 2.78Å; S86-G89 CarbonylContact C-O 3.53Å; S86-G89 WeakPolarHBondContact CA-O 3.42Å; S86-G89 PolarHBondContact N-O 2.65Å; S86-G89 PolarHBondContact O-N 2.86Å; S86-G89 VanDerWaalsContact O-O 3.09Å; S86-G89 PolarHBondContact OG-N 3.09Å; S86-G89 PolarHBondContact OG-O 3.39Å
87	I	98.7	Very high	97.7	Very high	34 Å²	34	59.8 Å²	59.8	17%	0.174	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.7	168.6	69.7	170.8	0	0	0	113.1	E43 N44 A47 L48 K53	E43-I87 HydrophobicContact CG-CD1 4.05Å; N44-I87 HydrophobicContact CB-CG1 4.27Å; N44-I87 PolarHBondContact OD1-N 3.45Å; A47-I87 HydrophobicContact CB-CD1 4.01Å; A47-I87 HydrophobicContact CB-CG2 3.89Å; L48-I87 HydrophobicContact CD2-CG2 4.21Å; L48-I87 HydrophobicContact CG-CG2 4.06Å; K53-I87 HydrophobicContact CG-CB 4.21Å; K53-I87 HydrophobicContact CG-CG2 3.9Å
88	Y	98.4	Very high	97.8	Very high	106 Å²	106	61 Å²	61	42%	0.416	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-1.2	-178.1	-48.8	-58.1	0	0	0	113.3	K40 N44 S86 F92	K40-Y88 HydrophobicContact CB-CE2 4.34Å; K40-Y88 PolarHBondContact O-OH 3.3Å; N44-Y88 HydrophobicContact CB-CE2 3.88Å; S86-Y88 PolarHBondContact O-N 2.73Å; S86-Y88 PolarHBondContact OG-N 2.78Å; Y88-F92 HydrophobicContact CD2-CB 4.14Å; Y88-F92 HydrophobicContact CD2-CD1 4.24Å; Y88-F92 HydrophobicContact CD2-CD2 4.5Å; Y88-F92 HydrophobicContact CD2-CG 4.06Å
89	G	97.1	Very high	97.8	Very high	35 Å²	35	56.8 Å²	56.8	36%	0.361	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	130.1	-162.4	-171.8	0	0	0	0	0	111.9	S86	S86-G89 CarbonylContact C-O 3.53Å; S86-G89 WeakPolarHBondContact CA-O 3.42Å; S86-G89 PolarHBondContact N-O 2.65Å; S86-G89 PolarHBondContact O-N 2.86Å; S86-G89 VanDerWaalsContact O-O 3.09Å; S86-G89 PolarHBondContact OG-N 3.09Å; S86-G89 PolarHBondContact OG-O 3.39Å
90	N	94.8	Very high	97.9	Very high	130 Å²	130	56.8 Å²	56.8	70%	0.695	32%	0.323	S	S	*	.	S	Bend	trans	-62.7	-46.5	-177.6	-70.4	-20.3	0	0	0	112.2
91	T	97.1	Very high	98	Very high	79 Å²	79	52.4 Å²	52.4	49%	0.485	30%	0.299	S	S	.	.			trans	-139.2	162.3	177.7	58.2	0	0	0	0	112.2	N117	T91-N117 CarbonylContact C-O 3.56Å; T91-N117 WeakPolarHBondContact CA-O 3.49Å
92	F	98.6	Very high	98.1	Very high	24 Å²	24	54.7 Å²	54.7	11%	0.105	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-139.4	164.4	170.8	71.1	-80.1	0	0	0	111.9	T41 N44 Y88 M109 N115 N117 G118	T41-F92 HydrophobicContact CG2-CE2 4.48Å; T41-F92 HydrophobicContact CG2-CZ 4.28Å; N44-F92 HydrophobicContact CB-CE1 4.43Å; N44-F92 HydrophobicContact CB-CZ 4.4Å; Y88-F92 HydrophobicContact CD2-CB 4.14Å; Y88-F92 HydrophobicContact CD2-CD1 4.24Å; Y88-F92 HydrophobicContact CD2-CD2 4.5Å; Y88-F92 HydrophobicContact CD2-CG 4.06Å; F92-M109 HydrophobicContact CE1-CE 4.05Å; F92-M109 HydrophobicContact CZ-CE 4.05Å; F92-N115 CarbonylContact O-C 3.56Å; F92-N117 HydrophobicContact CD1-CB 3.75Å; F92-N117 WeakPolarHBondContact CD1-O 3.43Å; F92-N117 HydrophobicContact CD2-CB 4.17Å; F92-N117 HydrophobicContact CE1-CB 3.43Å; F92-N117 VanDerWaalsContact CE1-CB 3.43Å; F92-N117 HydrophobicContact CE2-CB 3.89Å; F92-N117 HydrophobicContact CG-CB 4.11Å; F92-N117 HydrophobicContact CZ-CB 3.51Å; F92-N117 PolarHBondContact N-O 2.82Å; F92-N117 WeakPolarHBondContact O-CB 3.43Å; F92-N117 PolarHBondContact O-N 3.49Å; F92-N117 VanDerWaalsContact O-N 3.11Å; F92-N117 PolarHBondContact O-ND2 3.12Å; F92-G118 WeakPolarHBondContact CE1-O 3.47Å
93	A	98.6	Very high	98.1	Very high	54 Å²	54	55.8 Å²	55.8	45%	0.446	31%	0.307	S	S	.	.			trans	-67.5	159.9	-174.5	0	0	0	0	0	113.7	E95 N115 N117	A93-E95 PolarHBondContact O-N 2.91Å; A93-N115 WeakPolarHBondContact CA-OD1 3.39Å; A93-N115 HydrophobicContact CB-CB 4.37Å; A93-N115 WeakPolarHBondContact CB-OD1 3.27Å; A93-N117 PolarHBondContact O-ND2 3.19Å; A93-N117 VanDerWaalsContact O-ND2 3.11Å
94	D	98.7	Very high	98.2	Very high	26 Å²	26	57.9 Å²	57.9	14%	0.139	32%	0.318	C	S	.	.			trans	-69.6	115.7	166.5	-62.3	-50.3	0	0	0	108.6	F97 P114 N115 N117 V136	D94-F97 HydrophobicContact CB-CE1 4.12Å; D94-F97 HydrophobicContact CB-CE2 4.16Å; D94-F97 HydrophobicContact CB-CZ 3.54Å; D94-P114 WeakPolarHBondContact OD2-CA 3.27Å; D94-N115 PolarHBondContact N-OD1 2.85Å; D94-N115 PolarHBondContact OD2-N 2.95Å; D94-N117 WeakPolarHBondContact CA-ND2 3.48Å; D94-N117 PolarHBondContact N-ND2 2.93Å; D94-N117 PolarHBondContact OD1-ND2 2.85Å; D94-V136 HydrophobicContact CB-CG2 3.88Å
95	E	98.6	Very high	98.2	Very high	54 Å²	54	57.1 Å²	57.1	25%	0.252	31%	0.31	S	S	.	.			trans	-70.4	-49.3	-172.4	-175	165.3	-158.4	0	0	112.5	V38 P39 K40 T41 A93	V38-E95 VanDerWaalsContact C-CD 3.48Å; V38-E95 VanDerWaalsContact CA-CD 3.46Å; V38-E95 VanDerWaalsContact CA-OE2 3.25Å; V38-E95 WeakPolarHBondContact CA-OE2 3.41Å; V38-E95 HydrophobicContact CB-CG 4.4Å; V38-E95 VanDerWaalsContact CB-OE2 3.3Å; V38-E95 WeakPolarHBondContact CB-OE2 3.23Å; V38-E95 HydrophobicContact CG1-CB 4.29Å; V38-E95 HydrophobicContact CG1-CG 4.24Å; P39-E95 WeakPolarHBondContact CD-OE1 3.22Å; P39-E95 WeakPolarHBondContact CG-OE1 3.21Å; K40-E95 WeakPolarHBondContact CB-OE1 3.47Å; K40-E95 PolarHBondContact N-OE1 3.01Å; K40-E95 PolarHBondContact N-OE2 2.71Å; T41-E95 WeakPolarHBondContact CB-OE2 3.49Å; T41-E95 PolarHBondContact N-OE2 2.96Å; T41-E95 PolarHBondContact OG1-OE2 3.45Å; A93-E95 PolarHBondContact O-N 2.91Å
96	N	98.6	Very high	98.3	Very high	45 Å²	45	54.2 Å²	54.2	24%	0.241	30%	0.298	C	S	.	.			trans	-168.5	175.8	164.6	62.2	77.5	0	0	0	110	V37 V38 T98	V37-N96 PolarHBondContact O-ND2 2.81Å; V38-N96 WeakPolarHBondContact CG1-ND2 3.31Å; N96-T98 VanDerWaalsContact OD1-CB 3.28Å; N96-T98 WeakPolarHBondContact OD1-CB 3.23Å; N96-T98 PolarHBondContact OD1-N 2.76Å; N96-T98 VanDerWaalsContact OD1-N 3.09Å; N96-T98 PolarHBondContact OD1-OG1 3.13Å
97	F	98.6	Very high	98.3	Very high	67 Å²	67	54.1 Å²	54.1	29%	0.294	30%	0.297	S	S	.	.			trans	-122	34.4	177.8	-56.1	-69.1	0	0	0	112.5	D94 K100 G133 V136	D94-F97 HydrophobicContact CB-CE1 4.12Å; D94-F97 HydrophobicContact CB-CE2 4.16Å; D94-F97 HydrophobicContact CB-CZ 3.54Å; F97-K100 WeakPolarHBondContact O-CE 3.4Å; F97-K100 PolarHBondContact O-NZ 2.77Å; F97-G133 WeakPolarHBondContact CZ-O 3.43Å; F97-V136 HydrophobicContact CD1-CG2 4.38Å; F97-V136 HydrophobicContact CE1-CG2 3.99Å
98	T	98.6	Very high	98.3	Very high	96 Å²	96	52.5 Å²	52.5	59%	0.589	29%	0.289	S	S	*	.			trans	-65.1	-47.5	-178.5	-54.7	0	0	0	0	111	V37 N96	V37-T98 HydrophobicContact CG1-CG2 4.25Å; N96-T98 VanDerWaalsContact OD1-CB 3.28Å; N96-T98 WeakPolarHBondContact OD1-CB 3.23Å; N96-T98 PolarHBondContact OD1-N 2.76Å; N96-T98 VanDerWaalsContact OD1-N 3.09Å; N96-T98 PolarHBondContact OD1-OG1 3.13Å
99	L	98.6	Very high	98.3	Very high	33 Å²	33	47.4 Å²	47.4	17%	0.173	27%	0.269	C	S	.	.	S	Bend	trans	-77.2	151.1	177.4	-59.2	177	0	0	0	110.9	R34 V37 V137	R34-L99 HydrophobicContact CB-CD1 3.68Å; R34-L99 HydrophobicContact CG-CD1 3.71Å; V37-L99 HydrophobicContact CB-CD1 4.3Å; V37-L99 HydrophobicContact CG1-CD1 4.32Å; V37-L99 HydrophobicContact CG1-CG 4.09Å; L99-V137 HydrophobicContact CB-CB 3.65Å; L99-V137 HydrophobicContact CB-CG1 3.61Å; L99-V137 HydrophobicContact CD1-CG1 4.24Å
100	K	98.7	Very high	98.4	Very high	87 Å²	87	46.2 Å²	46.2	38%	0.378	26%	0.256	S	S	.	.			trans	-128.6	157.9	-169.4	-56.7	-63.1	171.4	-169.4	0	111.3	F97 T102 D132	F97-K100 WeakPolarHBondContact O-CE 3.4Å; F97-K100 PolarHBondContact O-NZ 2.77Å; K100-T102 VanDerWaalsContact C-N 3.28Å; K100-T102 HydrophobicContact CB-CG2 3.9Å; K100-T102 PolarHBondContact O-N 3.24Å; K100-D132 WeakPolarHBondContact CA-OD1 3.28Å; K100-D132 HydrophobicContact CD-CB 4.06Å
101	H	98.7	Very high	98.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	23%	0.231	C	C	.	.			trans	-86.1	67.8	-179.2	-56.3	81.6	0	0	0	111.1	S108 F122 R127 T128 D132 H135 V137	H101-S108 WeakPolarHBondContact NE2-CB 3.41Å; H101-S108 PolarHBondContact NE2-OG 2.66Å; H101-F122 AromaticContact CD2-CE2 3.95Å; H101-F122 AromaticContact NE2-CE2 3.98Å; H101-F122 AromaticContact NE2-CZ 3.66Å; H101-R127 WeakPolarHBondContact O-CG 3.41Å; H101-T128 WeakPolarHBondContact CB-O 3.13Å; H101-T128 VanDerWaalsContact CB-OG1 3.3Å; H101-T128 WeakPolarHBondContact CB-OG1 3.15Å; H101-T128 PolarHBondContact O-N 2.88Å; H101-D132 IonicContact CE1-OD1 3.69Å; H101-D132 IonicContact CG-OD1 3.67Å; H101-D132 PolarHBondContact N-OD1 2.75Å; H101-D132 IonicContact ND1-OD1 3.53Å; H101-D132 PolarHBondContact ND1-OD1 3.27Å; H101-H135 PolarHBondContact CE1-O 2.81Å; H101-V137 WeakPolarHBondContact CE1-CG2 3.25Å; H101-V137 WeakPolarHBondContact NE2-CG2 3.32Å
102	T	98.2	Very high	98.3	Very high	77 Å²	77	43.9 Å²	43.9	47%	0.472	25%	0.25	S	C	.	.			trans	-83.5	-23.6	-166.5	44.6	0	0	0	0	115.1	K100 R127	K100-T102 VanDerWaalsContact C-N 3.28Å; K100-T102 HydrophobicContact CB-CG2 3.9Å; K100-T102 PolarHBondContact O-N 3.24Å; T102-R127 WeakPolarHBondContact O-CD 3.31Å; T102-R127 VanDerWaalsContact O-CG 3.26Å; T102-R127 WeakPolarHBondContact O-CG 3.27Å
103	E	98.3	Very high	98.1	Very high	112 Å²	112	44 Å²	44	52%	0.523	26%	0.258	S	S	.	.	S	Bend	trans	-160.1	168.1	-170.2	63.9	-170.3	149.8	0	0	113.1	I106	E103-I106 HydrophobicContact CG-CD1 4.25Å; E103-I106 HydrophobicContact CG-CG1 4.08Å; E103-I106 VanDerWaalsContact O-CG1 3.23Å; E103-I106 WeakPolarHBondContact O-CG1 3.04Å
104	P	98.6	Very high	98.1	Very high	59 Å²	59	46.5 Å²	46.5	38%	0.383	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	144.2	168.1	-22.6	34.3	0	0	0	112.1	T125	P104-T125 WeakPolarHBondContact CB-O 3.48Å; P104-T125 WeakPolarHBondContact CG-O 3.45Å
105	G	98.6	Very high	98	Very high	3 Å²	3	49.3 Å²	49.3	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	93	-6.6	-179.3	0	0	0	0	0	114.5	L107 C124 S140 V141	G105-L107 PolarHBondContact O-N 3.45Å; G105-C124 PolarHBondContact N-O 2.68Å; G105-S140 CarbonylContact O-C 3.44Å; G105-S140 WeakPolarHBondContact O-CA 3.3Å; G105-V141 PolarHBondContact O-N 3.47Å
106	I	98.9	Very high	98	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	129.5	174.4	-66.5	-63.1	0	0	0	110.8	E103 I123 C124 V137	E103-I106 HydrophobicContact CG-CD1 4.25Å; E103-I106 HydrophobicContact CG-CG1 4.08Å; E103-I106 VanDerWaalsContact O-CG1 3.23Å; E103-I106 WeakPolarHBondContact O-CG1 3.04Å; I106-I123 WeakPolarHBondContact O-CA 3.28Å; I106-C124 HydrophobicContact CB-CB 4.24Å; I106-C124 PolarHBondContact O-N 3.13Å; I106-V137 HydrophobicContact CG2-CB 4.34Å; I106-V137 HydrophobicContact CG2-CG1 3.58Å; I106-V137 HydrophobicContact CG2-CG2 3.83Å
107	L	98.9	Very high	98	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.7	178.5	-176.5	68	0	0	0	109.9	M31 L33 F45 G105 F121 I123 F138 G139	M31-L107 HydrophobicContact CB-CD2 4.22Å; M31-L107 HydrophobicContact CG-CD2 4.29Å; M31-L107 HydrophobicContact SD-CD1 4.33Å; M31-L107 HydrophobicContact SD-CD2 4.04Å; L33-L107 HydrophobicContact CD2-CD2 3.82Å; F45-L107 HydrophobicContact CD1-CD2 4.35Å; F45-L107 HydrophobicContact CE1-CD2 3.9Å; F45-L107 HydrophobicContact CE2-CD1 4.31Å; F45-L107 HydrophobicContact CE2-CD2 4.33Å; F45-L107 HydrophobicContact CZ-CD1 4.14Å; F45-L107 HydrophobicContact CZ-CD2 3.87Å; G105-L107 PolarHBondContact O-N 3.45Å; L107-F121 HydrophobicContact CD1-CB 4.45Å; L107-F121 HydrophobicContact CD1-CD2 3.58Å; L107-F121 HydrophobicContact CD1-CE2 4.21Å; L107-F121 HydrophobicContact CD1-CG 4.31Å; L107-I123 HydrophobicContact CD1-CG1 3.84Å; L107-F138 HydrophobicContact CD1-CZ 4.02Å; L107-F138 HydrophobicContact CD2-CD2 4Å; L107-F138 HydrophobicContact CD2-CE1 4.5Å; L107-F138 HydrophobicContact CD2-CE2 3.25Å; L107-F138 HydrophobicContact CD2-CZ 3.57Å; L107-F138 HydrophobicContact CG-CD2 4.31Å; L107-F138 HydrophobicContact CG-CE1 3.93Å; L107-F138 HydrophobicContact CG-CE2 3.6Å; L107-F138 HydrophobicContact CG-CZ 3.39Å; L107-F138 PolarHBondContact O-N 3.36Å; L107-G139 WeakPolarHBondContact CB-O 3.38Å; L107-G139 PolarHBondContact N-O 3.32Å; L107-G139 PolarHBondContact O-N 3.21Å
108	S	98.9	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.8	-170.6	-173	0	0	0	0	112.5	H101 F121 F122 H135 V136 F138	H101-S108 WeakPolarHBondContact NE2-CB 3.41Å; H101-S108 PolarHBondContact NE2-OG 2.66Å; S108-F121 CarbonylContact O-C 3.55Å; S108-F121 VanDerWaalsContact O-CA 3.27Å; S108-F121 WeakPolarHBondContact O-CA 3.35Å; S108-F122 PolarHBondContact N-O 2.98Å; S108-F122 PolarHBondContact O-N 3.41Å; S108-F122 WeakPolarHBondContact OG-CZ 3.42Å; S108-H135 WeakPolarHBondContact OG-CB 3.46Å; S108-V136 WeakPolarHBondContact CA-O 3.49Å; S108-V136 PolarHBondContact OG-O 2.87Å; S108-F138 VanDerWaalsContact C-CE1 3.45Å
109	M	98.8	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	131.1	-177	-69.8	-57.3	-65.6	0	0	111.6	T41 F92 N117 G118 Q120 F122 H135 V136 F138	T41-M109 HydrophobicContact CG2-CG 3.59Å; T41-M109 HydrophobicContact CG2-SD 3.96Å; F92-M109 HydrophobicContact CE1-CE 4.05Å; F92-M109 HydrophobicContact CZ-CE 4.05Å; M109-N117 VanDerWaalsContact CB-OD1 3.31Å; M109-N117 WeakPolarHBondContact CB-OD1 3.42Å; M109-N117 HydrophobicContact CE-CB 3.96Å; M109-G118 WeakPolarHBondContact CE-O 3.29Å; M109-Q120 WeakPolarHBondContact CE-O 3.33Å; M109-F122 WeakPolarHBondContact O-CE1 3.24Å; M109-H135 WeakPolarHBondContact O-CB 3.3Å; M109-H135 PolarHBondContact O-ND1 3.16Å; M109-V136 HydrophobicContact CB-CB 4.48Å; M109-V136 HydrophobicContact CG-CB 4.33Å; M109-V136 PolarHBondContact N-O 3.43Å; M109-F138 HydrophobicContact CG-CD1 3.79Å; M109-F138 HydrophobicContact CG-CE1 3.8Å; M109-F138 HydrophobicContact SD-CD1 3.97Å; M109-F138 HydrophobicContact SD-CE1 3.46Å; M109-F138 WeakPolarHBondContact SD-CE1 3.42Å; M109-F138 HydrophobicContact SD-CZ 4.04Å
110	A	98.4	Very high	98	Very high	10 Å²	10	39.1 Å²	39.1	8%	0.083	24%	0.235	C	C	.	.			trans	-81.2	140.4	163.6	0	0	0	0	0	109.3	Q72 Q120 F122	Q72-A110 HydrophobicContact CG-CB 4.49Å; A110-Q120 HydrophobicContact CB-CB 3.79Å; A110-Q120 PolarHBondContact N-O 3.34Å; A110-F122 HydrophobicContact CB-CD1 4.27Å
111	N	96.4	Very high	98	Very high	35 Å²	35	35 Å²	35	19%	0.187	22%	0.217	C	C	.	.			trans	-146.3	169.4	179	68	41.1	0	0	0	110.7	G113 T116 K134 H135	N111-G113 PolarHBondContact OD1-N 3.43Å; N111-T116 WeakPolarHBondContact CB-OG1 3.21Å; N111-K134 PolarHBondContact ND2-O 3.32Å; N111-H135 PolarHBondContact OD1-CE1 2.89Å
112	S	94.5	Very high	98	Very high	124 Å²	124	35.3 Å²	35.3	87%	0.867	22%	0.218	S	C	*	.	S	Bend	trans	-111.3	29.9	177.7	-61.2	0	0	0	0	111.5	T116	S112-T116 PolarHBondContact N-OG1 2.88Å
113	G	94.8	Very high	98	Very high	27 Å²	27	31.6 Å²	31.6	28%	0.278	20%	0.196	S	C	.	.	S	Bend	trans	123.7	175.2	-171.6	0	0	0	0	0	112.6	N111 N115 T116	N111-G113 PolarHBondContact OD1-N 3.43Å; G113-N115 PolarHBondContact O-N 2.94Å; G113-T116 PolarHBondContact N-OG1 3.17Å; G113-T116 PolarHBondContact O-N 2.68Å; G113-T116 PolarHBondContact O-OG1 3.22Å
114	P	97.1	Very high	98.1	Very high	106 Å²	106	26.3 Å²	26.3	69%	0.688	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	137.7	-176.4	-25.3	34.2	0	0	0	112.4	D94 T116	D94-P114 WeakPolarHBondContact OD2-CA 3.27Å; P114-T116 VanDerWaalsContact C-N 3.31Å; P114-T116 PolarHBondContact O-N 3.41Å
115	N	97.2	Very high	98.1	Very high	86 Å²	86	24 Å²	24	46%	0.46	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	32.8	175.7	-54.9	-56	0	0	0	115.3	F92 A93 D94 G113	F92-N115 CarbonylContact O-C 3.56Å; A93-N115 WeakPolarHBondContact CA-OD1 3.39Å; A93-N115 HydrophobicContact CB-CB 4.37Å; A93-N115 WeakPolarHBondContact CB-OD1 3.27Å; D94-N115 PolarHBondContact N-OD1 2.85Å; D94-N115 PolarHBondContact OD2-N 2.95Å; G113-N115 PolarHBondContact O-N 2.94Å
116	T	98	Very high	98	Very high	45 Å²	45	28.5 Å²	28.5	28%	0.276	18%	0.176	S	C	.	.			trans	-117.4	28.5	178.7	63.8	0	0	0	0	113.3	N111 S112 G113 P114 G118	N111-T116 WeakPolarHBondContact CB-OG1 3.21Å; S112-T116 PolarHBondContact N-OG1 2.88Å; G113-T116 PolarHBondContact N-OG1 3.17Å; G113-T116 PolarHBondContact O-N 2.68Å; G113-T116 PolarHBondContact O-OG1 3.22Å; P114-T116 VanDerWaalsContact C-N 3.31Å; P114-T116 PolarHBondContact O-N 3.41Å; T116-G118 PolarHBondContact O-N 3.26Å
117	N	98.6	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-65.8	131.2	178.1	-60.5	-60	0	0	0	110.2	T91 F92 A93 D94 M109	T91-N117 CarbonylContact C-O 3.56Å; T91-N117 WeakPolarHBondContact CA-O 3.49Å; F92-N117 HydrophobicContact CD1-CB 3.75Å; F92-N117 WeakPolarHBondContact CD1-O 3.43Å; F92-N117 HydrophobicContact CD2-CB 4.17Å; F92-N117 HydrophobicContact CE1-CB 3.43Å; F92-N117 VanDerWaalsContact CE1-CB 3.43Å; F92-N117 HydrophobicContact CE2-CB 3.89Å; F92-N117 HydrophobicContact CG-CB 4.11Å; F92-N117 HydrophobicContact CZ-CB 3.51Å; F92-N117 PolarHBondContact N-O 2.82Å; F92-N117 WeakPolarHBondContact O-CB 3.43Å; F92-N117 PolarHBondContact O-N 3.49Å; F92-N117 VanDerWaalsContact O-N 3.11Å; F92-N117 PolarHBondContact O-ND2 3.12Å; A93-N117 PolarHBondContact O-ND2 3.19Å; A93-N117 VanDerWaalsContact O-ND2 3.11Å; D94-N117 WeakPolarHBondContact CA-ND2 3.48Å; D94-N117 PolarHBondContact N-ND2 2.93Å; D94-N117 PolarHBondContact OD1-ND2 2.85Å; M109-N117 VanDerWaalsContact CB-OD1 3.31Å; M109-N117 WeakPolarHBondContact CB-OD1 3.42Å; M109-N117 HydrophobicContact CE-CB 3.96Å
118	G	98.6	Very high	98	Very high	10 Å²	10	35.5 Å²	35.5	10%	0.103	20%	0.201	C	C	.	.			trans	-122.5	-113.8	178	0	0	0	0	0	110.9	N44 F92 M109 T116	N44-G118 PolarHBondContact ND2-O 3.16Å; F92-G118 WeakPolarHBondContact CE1-O 3.47Å; M109-G118 WeakPolarHBondContact CE-O 3.29Å; T116-G118 PolarHBondContact O-N 3.26Å
119	S	98.8	Very high	97.9	Very high	1 Å²	1	38 Å²	38	1%	0.007	22%	0.218	C	C	.	.	S	Bend	trans	-113.7	-11.9	171	56.5	0	0	0	0	114	Y57 G74 F76 G84 K85	Y57-S119 VanDerWaalsContact CE1-O 3.25Å; Y57-S119 WeakPolarHBondContact CE1-O 3.48Å; Y57-S119 PolarHBondContact OH-O 2.85Å; G74-S119 WeakPolarHBondContact O-CB 3.44Å; G74-S119 PolarHBondContact O-OG 2.81Å; F76-S119 VanDerWaalsContact CE1-OG 3.26Å; F76-S119 WeakPolarHBondContact CE1-OG 3.44Å; G84-S119 WeakPolarHBondContact CA-OG 3.25Å; K85-S119 PolarHBondContact N-OG 3.17Å; K85-S119 VanDerWaalsContact O-CB 3.32Å; K85-S119 WeakPolarHBondContact O-CB 3.31Å
120	Q	98.9	Very high	97.9	Very high	25 Å²	25	44.7 Å²	44.7	12%	0.117	24%	0.243	C	C	.	.			trans	-72.5	140.4	-178.2	-66.2	-170.8	50.3	0	0	110.7	H63 Q72 G73 D75 G81 G83 M109 A110	H63-Q120 PolarHBondContact CE1-OE1 3.45Å; H63-Q120 PolarHBondContact NE2-OE1 3.42Å; Q72-Q120 VanDerWaalsContact NE2-OE1 3.1Å; G73-Q120 VanDerWaalsContact O-CA 3.27Å; G73-Q120 WeakPolarHBondContact O-CA 3.32Å; D75-Q120 HydrophobicContact CB-CG 4.12Å; G81-Q120 VanDerWaalsContact C-NE2 3.26Å; G81-Q120 PolarHBondContact O-NE2 2.92Å; G83-Q120 PolarHBondContact O-NE2 2.95Å; M109-Q120 WeakPolarHBondContact CE-O 3.33Å; A110-Q120 HydrophobicContact CB-CB 3.79Å; A110-Q120 PolarHBondContact N-O 3.34Å
121	F	98.9	Very high	97.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	166.5	-177	67.3	-88.6	0	0	0	109.3	F17 F45 Y57 F62 Q72 G73 L107 S108 I123 F138 I167	F17-F121 HydrophobicContact CD2-CZ 4.41Å; F17-F121 HydrophobicContact CE2-CE1 4.21Å; F17-F121 AromaticContact CE2-CE2 3.83Å; F17-F121 HydrophobicContact CE2-CE2 3.83Å; F17-F121 AromaticContact CE2-CZ 3.39Å; F17-F121 HydrophobicContact CE2-CZ 3.39Å; F17-F121 HydrophobicContact CZ-CE1 4.2Å; F17-F121 AromaticContact CZ-CZ 3.84Å; F17-F121 HydrophobicContact CZ-CZ 3.84Å; F45-F121 HydrophobicContact CD2-CD1 4.42Å; F45-F121 HydrophobicContact CE2-CB 4.06Å; F45-F121 AromaticContact CE2-CD1 3.55Å; F45-F121 HydrophobicContact CE2-CD1 3.55Å; F45-F121 HydrophobicContact CE2-CD2 4.05Å; F45-F121 AromaticContact CE2-CE1 3.91Å; F45-F121 HydrophobicContact CE2-CE1 3.91Å; F45-F121 HydrophobicContact CE2-CE2 4.38Å; F45-F121 AromaticContact CE2-CG 3.62Å; F45-F121 HydrophobicContact CE2-CG 3.62Å; F45-F121 HydrophobicContact CE2-CZ 4.32Å; F45-F121 HydrophobicContact CZ-CD1 4.39Å; F45-F121 HydrophobicContact CZ-CD2 4.42Å; F45-F121 HydrophobicContact CZ-CE1 4.38Å; F45-F121 HydrophobicContact CZ-CE2 4.42Å; F45-F121 HydrophobicContact CZ-CG 4.4Å; F45-F121 HydrophobicContact CZ-CZ 4.41Å; Y57-F121 HydrophobicContact CD1-CE1 4.16Å; Y57-F121 HydrophobicContact CE1-CD1 4.04Å; Y57-F121 AromaticContact CE1-CE1 3.89Å; Y57-F121 HydrophobicContact CE1-CE1 3.89Å; F62-F121 AromaticContact CE1-CE2 3.71Å; F62-F121 HydrophobicContact CE1-CE2 3.71Å; F62-F121 AromaticContact CE1-CZ 3.99Å; F62-F121 HydrophobicContact CE1-CZ 3.99Å; F62-F121 AromaticContact CZ-CE2 3.84Å; F62-F121 HydrophobicContact CZ-CE2 3.84Å; F62-F121 AromaticContact CZ-CZ 3.82Å; F62-F121 HydrophobicContact CZ-CZ 3.82Å; Q72-F121 WeakPolarHBondContact CA-O 3.46Å; Q72-F121 WeakPolarHBondContact CG-O 3.32Å; G73-F121 PolarHBondContact N-O 3.42Å; G73-F121 PolarHBondContact O-N 3.26Å; G73-F121 VanDerWaalsContact O-N 3.13Å; L107-F121 HydrophobicContact CD1-CB 4.45Å; L107-F121 HydrophobicContact CD1-CD2 3.58Å; L107-F121 HydrophobicContact CD1-CE2 4.21Å; L107-F121 HydrophobicContact CD1-CG 4.31Å; S108-F121 CarbonylContact O-C 3.55Å; S108-F121 VanDerWaalsContact O-CA 3.27Å; S108-F121 WeakPolarHBondContact O-CA 3.35Å; F121-I123 HydrophobicContact CD2-CG1 4.44Å; F121-I123 HydrophobicContact CE2-CD1 4.47Å; F121-I123 HydrophobicContact CE2-CG1 4.27Å; F121-F138 HydrophobicContact CB-CE1 4.44Å; F121-F138 HydrophobicContact CB-CZ 4.29Å; F121-I167 HydrophobicContact CZ-CD1 4.18Å
122	F	98.9	Very high	98	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.1	167.6	60.7	-89.8	0	0	0	111.7	M70 C71 Q72 H101 S108 M109 A110 L131 H135	M70-F122 HydrophobicContact CB-CB 4.2Å; M70-F122 HydrophobicContact CB-CD2 4.06Å; M70-F122 HydrophobicContact CB-CG 4.47Å; M70-F122 HydrophobicContact CG-CB 4.32Å; M70-F122 HydrophobicContact CG-CD2 4.43Å; M70-F122 HydrophobicContact SD-CB 3.97Å; C71-F122 CarbonylContact O-C 3.57Å; C71-F122 VanDerWaalsContact O-CA 3.24Å; C71-F122 WeakPolarHBondContact O-CA 3.42Å; Q72-F122 HydrophobicContact CB-CB 4.06Å; H101-F122 AromaticContact CD2-CE2 3.95Å; H101-F122 AromaticContact NE2-CE2 3.98Å; H101-F122 AromaticContact NE2-CZ 3.66Å; S108-F122 PolarHBondContact N-O 2.98Å; S108-F122 PolarHBondContact O-N 3.41Å; S108-F122 WeakPolarHBondContact OG-CZ 3.42Å; M109-F122 WeakPolarHBondContact O-CE1 3.24Å; A110-F122 HydrophobicContact CB-CD1 4.27Å; F122-L131 HydrophobicContact CE2-CD1 3.69Å; F122-L131 HydrophobicContact CZ-CD1 3.61Å; F122-H135 HydrophobicContact CE1-CB 4.11Å; F122-H135 AromaticContact CE1-CG 3.94Å; F122-H135 AromaticContact CE1-ND1 3.89Å; F122-H135 HydrophobicContact CZ-CB 3.99Å
123	I	98.9	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123	169.4	-53.4	174.6	0	0	0	107	I29 M31 F62 M70 C71 I106 L107 F121 V141 V148	I29-I123 HydrophobicContact CD1-CD1 4.4Å; M31-I123 HydrophobicContact SD-CD1 4.47Å; F62-I123 HydrophobicContact CE1-CD1 4.37Å; F62-I123 HydrophobicContact CZ-CD1 4.39Å; M70-I123 CarbonylContact C-O 3.57Å; M70-I123 VanDerWaalsContact CA-O 3.26Å; M70-I123 WeakPolarHBondContact CA-O 3.22Å; M70-I123 WeakPolarHBondContact CB-O 3.5Å; C71-I123 PolarHBondContact N-O 2.91Å; C71-I123 PolarHBondContact O-N 3.09Å; I106-I123 WeakPolarHBondContact O-CA 3.28Å; L107-I123 HydrophobicContact CD1-CG1 3.84Å; F121-I123 HydrophobicContact CD2-CG1 4.44Å; F121-I123 HydrophobicContact CE2-CD1 4.47Å; F121-I123 HydrophobicContact CE2-CG1 4.27Å; I123-V141 HydrophobicContact CD1-CG2 4.4Å; I123-V141 HydrophobicContact CG2-CG2 3.83Å; I123-V148 HydrophobicContact CB-CG1 4.36Å; I123-V148 HydrophobicContact CD1-CG2 4.28Å; I123-V148 HydrophobicContact CG2-CG1 3.83Å; I123-V148 HydrophobicContact CG2-CG2 4.18Å
124	C	98.8	Very high	98.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	139.7	177.7	-59.7	0	0	0	0	110.5	G105 I106 E126 T128	G105-C124 PolarHBondContact N-O 2.68Å; I106-C124 HydrophobicContact CB-CB 4.24Å; I106-C124 PolarHBondContact O-N 3.13Å; C124-E126 WeakPolarHBondContact CB-O 3.41Å; C124-T128 PolarHBondContact SG-OG1 3.47Å
125	T	98.5	Very high	98.4	Very high	10 Å²	10	43 Å²	43	6%	0.061	21%	0.213	C	C	.	.	S	Bend	trans	-106.4	-9.7	169.7	54.4	0	0	0	0	112.5	F69 M70 P104 V148 E152	F69-T125 PolarHBondContact N-OG1 3.27Å; F69-T125 PolarHBondContact O-N 2.9Å; F69-T125 PolarHBondContact O-OG1 3.18Å; M70-T125 PolarHBondContact N-OG1 3.1Å; P104-T125 WeakPolarHBondContact CB-O 3.48Å; P104-T125 WeakPolarHBondContact CG-O 3.45Å; T125-V148 HydrophobicContact CG2-CG1 3.94Å; T125-E152 VanDerWaalsContact CB-CD 3.44Å; T125-E152 WeakPolarHBondContact CB-OE1 3.03Å; T125-E152 HydrophobicContact CG2-CB 4.08Å; T125-E152 HydrophobicContact CG2-CG 4.06Å; T125-E152 PolarHBondContact OG1-OE1 2.94Å
126	E	98.3	Very high	98.4	Very high	98 Å²	98	38.9 Å²	38.9	46%	0.458	19%	0.191	S	C	.	.	S	Bend	trans	-138.1	171.8	176.2	-73.4	-62.6	165.5	0	0	110.3	G68 C124	G68-E126 WeakPolarHBondContact O-CG 3.5Å; C124-E126 WeakPolarHBondContact CB-O 3.41Å
127	R	98.1	Very high	98.5	Very high	160 Å²	160	37 Å²	37	60%	0.604	18%	0.179	S	C	*	.			trans	-70.9	127	168.7	-176	-179.3	173.7	-165.4	0.8	110	H101 T102	H101-R127 WeakPolarHBondContact O-CG 3.41Å; T102-R127 WeakPolarHBondContact O-CD 3.31Å; T102-R127 VanDerWaalsContact O-CG 3.26Å; T102-R127 WeakPolarHBondContact O-CG 3.27Å
128	T	97.8	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.			trans	-130.3	59	-170.4	54.7	0	0	0	0	113.7	F69 H101 C124 W130 L131	F69-T128 HydrophobicContact CD2-CG2 3.64Å; F69-T128 HydrophobicContact CE2-CG2 3.84Å; H101-T128 WeakPolarHBondContact CB-O 3.13Å; H101-T128 VanDerWaalsContact CB-OG1 3.3Å; H101-T128 WeakPolarHBondContact CB-OG1 3.15Å; H101-T128 PolarHBondContact O-N 2.88Å; C124-T128 PolarHBondContact SG-OG1 3.47Å; T128-W130 HydrophobicContact CG2-CH2 3.94Å; T128-W130 HydrophobicContact CG2-CZ2 3.62Å; T128-W130 PolarHBondContact O-N 2.86Å; T128-W130 VanDerWaalsContact O-N 3.08Å; T128-L131 WeakPolarHBondContact O-CB 3.3Å; T128-L131 PolarHBondContact O-N 3.27Å; T128-L131 VanDerWaalsContact O-N 3.1Å
129	P	98.1	Very high	98.5	Very high	54 Å²	54	36.6 Å²	36.6	35%	0.351	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-67.4	-18.3	-168.9	30.7	-35.3	0	0	0	113.7	L131 D132	P129-L131 PolarHBondContact O-N 2.92Å; P129-L131 VanDerWaalsContact O-N 3.16Å; P129-D132 VanDerWaalsContact O-CB 3.32Å; P129-D132 WeakPolarHBondContact O-CB 3.3Å; P129-D132 PolarHBondContact O-N 2.89Å; P129-D132 VanDerWaalsContact O-N 3.08Å
130	W	98.3	Very high	98.5	Very high	140 Å²	140	38.2 Å²	38.2	53%	0.53	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-67.3	-10.4	175.8	57.4	83.1	0	0	0	113.9	F69 T128 K134	F69-W130 AromaticContact CD2-CZ2 3.91Å; F69-W130 HydrophobicContact CD2-CZ2 3.91Å; F69-W130 AromaticContact CE2-CZ2 3.91Å; F69-W130 HydrophobicContact CE2-CZ2 3.91Å; F69-W130 AromaticContact CE2-NE1 3.76Å; T128-W130 HydrophobicContact CG2-CH2 3.94Å; T128-W130 HydrophobicContact CG2-CZ2 3.62Å; T128-W130 PolarHBondContact O-N 2.86Å; T128-W130 VanDerWaalsContact O-N 3.08Å; W130-K134 PolarHBondContact O-NZ 2.73Å
131	L	98.1	Very high	98.5	Very high	17 Å²	17	38 Å²	38	9%	0.089	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-91.7	-11.3	173.8	-58	-175.9	0	0	0	113.1	F69 F122 T128 P129 G133 K134 H135	F69-L131 HydrophobicContact CE2-CD1 3.95Å; F69-L131 HydrophobicContact CZ-CD1 4.27Å; F122-L131 HydrophobicContact CE2-CD1 3.69Å; F122-L131 HydrophobicContact CZ-CD1 3.61Å; T128-L131 WeakPolarHBondContact O-CB 3.3Å; T128-L131 PolarHBondContact O-N 3.27Å; T128-L131 VanDerWaalsContact O-N 3.1Å; P129-L131 PolarHBondContact O-N 2.92Å; P129-L131 VanDerWaalsContact O-N 3.16Å; L131-G133 PolarHBondContact O-N 2.82Å; L131-K134 WeakPolarHBondContact O-CB 3.35Å; L131-K134 PolarHBondContact O-N 2.9Å; L131-K134 VanDerWaalsContact O-N 3.09Å; L131-H135 PolarHBondContact O-N 3.19Å
132	D	98.3	Very high	98.5	Very high	51 Å²	51	40.8 Å²	40.8	27%	0.273	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	135.9	178.7	-69.4	-18.1	0	0	0	111	K100 H101 P129 K134	K100-D132 WeakPolarHBondContact CA-OD1 3.28Å; K100-D132 HydrophobicContact CD-CB 4.06Å; H101-D132 IonicContact CE1-OD1 3.69Å; H101-D132 IonicContact CG-OD1 3.67Å; H101-D132 PolarHBondContact N-OD1 2.75Å; H101-D132 IonicContact ND1-OD1 3.53Å; H101-D132 PolarHBondContact ND1-OD1 3.27Å; P129-D132 VanDerWaalsContact O-CB 3.32Å; P129-D132 WeakPolarHBondContact O-CB 3.3Å; P129-D132 PolarHBondContact O-N 2.89Å; P129-D132 VanDerWaalsContact O-N 3.08Å; D132-K134 PolarHBondContact O-N 3.22Å
133	G	97.8	Very high	98.5	Very high	41 Å²	41	45.9 Å²	45.9	42%	0.423	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	1.8	-176.5	0	0	0	0	0	114.9	F97 L131	F97-G133 WeakPolarHBondContact CZ-O 3.43Å; L131-G133 PolarHBondContact O-N 2.82Å
134	K	98.3	Very high	98.5	Very high	124 Å²	124	46.5 Å²	46.5	54%	0.539	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-31.5	179.5	-58.3	175.4	-172.3	160.9	0	113.1	N111 W130 L131 D132	N111-K134 PolarHBondContact ND2-O 3.32Å; W130-K134 PolarHBondContact O-NZ 2.73Å; L131-K134 WeakPolarHBondContact O-CB 3.35Å; L131-K134 PolarHBondContact O-N 2.9Å; L131-K134 VanDerWaalsContact O-N 3.09Å; D132-K134 PolarHBondContact O-N 3.22Å
135	H	98.8	Very high	98.5	Very high	32 Å²	32	49.5 Å²	49.5	15%	0.148	25%	0.25	C	S	.	.	S	Bend	trans	-124.6	130.7	179.7	-63.6	-81.8	0	0	0	109.6	H101 S108 M109 N111 F122 L131 V137	H101-H135 PolarHBondContact CE1-O 2.81Å; S108-H135 WeakPolarHBondContact OG-CB 3.46Å; M109-H135 WeakPolarHBondContact O-CB 3.3Å; M109-H135 PolarHBondContact O-ND1 3.16Å; N111-H135 PolarHBondContact OD1-CE1 2.89Å; F122-H135 HydrophobicContact CE1-CB 4.11Å; F122-H135 AromaticContact CE1-CG 3.94Å; F122-H135 AromaticContact CE1-ND1 3.89Å; F122-H135 HydrophobicContact CZ-CB 3.99Å; L131-H135 PolarHBondContact O-N 3.19Å; H135-V137 PolarHBondContact O-N 3.48Å
136	V	98.9	Very high	98.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.			trans	-73.6	110.8	178.3	-179.1	0	0	0	0	108.5	V38 T41 D94 F97 S108 M109	V38-V136 HydrophobicContact CG1-CG1 3.97Å; T41-V136 HydrophobicContact CG2-CG1 4.08Å; D94-V136 HydrophobicContact CB-CG2 3.88Å; F97-V136 HydrophobicContact CD1-CG2 4.38Å; F97-V136 HydrophobicContact CE1-CG2 3.99Å; S108-V136 WeakPolarHBondContact CA-O 3.49Å; S108-V136 PolarHBondContact OG-O 2.87Å; M109-V136 HydrophobicContact CB-CB 4.48Å; M109-V136 HydrophobicContact CG-CB 4.33Å; M109-V136 PolarHBondContact N-O 3.43Å
137	V	98.9	Very high	98.5	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.9	167	173.3	0	0	0	0	108.3	L99 H101 I106 H135	L99-V137 HydrophobicContact CB-CB 3.65Å; L99-V137 HydrophobicContact CB-CG1 3.61Å; L99-V137 HydrophobicContact CD1-CG1 4.24Å; H101-V137 WeakPolarHBondContact CE1-CG2 3.25Å; H101-V137 WeakPolarHBondContact NE2-CG2 3.32Å; I106-V137 HydrophobicContact CG2-CB 4.34Å; I106-V137 HydrophobicContact CG2-CG1 3.58Å; I106-V137 HydrophobicContact CG2-CG2 3.83Å; H135-V137 PolarHBondContact O-N 3.48Å
138	F	98.9	Very high	98.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	5.1	-173.7	69	-90.9	0	0	0	115.1	L33 R34 V38 T41 F45 L107 S108 M109 F121	L33-F138 CarbonylContact C-O 3.5Å; L33-F138 WeakPolarHBondContact CA-O 3.48Å; L33-F138 HydrophobicContact CD2-CD2 4.13Å; L33-F138 HydrophobicContact CD2-CE2 4.03Å; R34-F138 PolarHBondContact N-O 2.91Å; V38-F138 HydrophobicContact CG2-CB 3.52Å; T41-F138 HydrophobicContact CG2-CB 3.56Å; T41-F138 HydrophobicContact CG2-CD1 3.76Å; T41-F138 HydrophobicContact CG2-CD2 4.38Å; T41-F138 HydrophobicContact CG2-CG 3.66Å; F45-F138 HydrophobicContact CB-CD2 4.29Å; F45-F138 HydrophobicContact CB-CE2 3.57Å; F45-F138 HydrophobicContact CB-CZ 4.17Å; F45-F138 AromaticContact CD1-CE2 3.94Å; F45-F138 HydrophobicContact CD1-CE2 3.94Å; F45-F138 AromaticContact CD2-CE2 3.5Å; F45-F138 HydrophobicContact CD2-CE2 3.5Å; F45-F138 AromaticContact CD2-CZ 3.37Å; F45-F138 HydrophobicContact CD2-CZ 3.37Å; F45-F138 HydrophobicContact CE1-CE2 4.46Å; F45-F138 HydrophobicContact CE2-CE2 4.08Å; F45-F138 AromaticContact CE2-CZ 3.76Å; F45-F138 HydrophobicContact CE2-CZ 3.76Å; F45-F138 HydrophobicContact CG-CD2 4.49Å; F45-F138 AromaticContact CG-CE2 3.4Å; F45-F138 HydrophobicContact CG-CE2 3.4Å; F45-F138 AromaticContact CG-CZ 3.81Å; F45-F138 HydrophobicContact CG-CZ 3.81Å; F45-F138 HydrophobicContact CZ-CZ 4.48Å; L107-F138 HydrophobicContact CD1-CZ 4.02Å; L107-F138 HydrophobicContact CD2-CD2 4Å; L107-F138 HydrophobicContact CD2-CE1 4.5Å; L107-F138 HydrophobicContact CD2-CE2 3.25Å; L107-F138 HydrophobicContact CD2-CZ 3.57Å; L107-F138 HydrophobicContact CG-CD2 4.31Å; L107-F138 HydrophobicContact CG-CE1 3.93Å; L107-F138 HydrophobicContact CG-CE2 3.6Å; L107-F138 HydrophobicContact CG-CZ 3.39Å; L107-F138 PolarHBondContact O-N 3.36Å; S108-F138 VanDerWaalsContact C-CE1 3.45Å; M109-F138 HydrophobicContact CG-CD1 3.79Å; M109-F138 HydrophobicContact CG-CE1 3.8Å; M109-F138 HydrophobicContact SD-CD1 3.97Å; M109-F138 HydrophobicContact SD-CE1 3.46Å; M109-F138 WeakPolarHBondContact SD-CE1 3.42Å; M109-F138 HydrophobicContact SD-CZ 4.04Å; F121-F138 HydrophobicContact CB-CE1 4.44Å; F121-F138 HydrophobicContact CB-CZ 4.29Å
139	G	98.8	Very high	98.6	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-173.1	177.6	0	0	0	0	0	112.6	E32 L107	E32-G139 CarbonylContact O-C 3.59Å; E32-G139 WeakPolarHBondContact O-CA 3.43Å; L107-G139 WeakPolarHBondContact CB-O 3.38Å; L107-G139 PolarHBondContact N-O 3.32Å; L107-G139 PolarHBondContact O-N 3.21Å
140	S	98.8	Very high	98.6	Very high	34 Å²	34	50.1 Å²	50.1	24%	0.238	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	153.1	174.7	52.8	0	0	0	0	111	M31 E32 G105 V142	M31-S140 CarbonylContact C-O 3.57Å; M31-S140 VanDerWaalsContact CA-O 3.26Å; M31-S140 WeakPolarHBondContact CA-O 3.45Å; E32-S140 PolarHBondContact N-O 3.45Å; E32-S140 PolarHBondContact O-N 3.25Å; G105-S140 CarbonylContact O-C 3.44Å; G105-S140 WeakPolarHBondContact O-CA 3.3Å; S140-V142 PolarHBondContact O-N 3Å
141	V	98.9	Very high	98.6	Very high	20 Å²	20	43.5 Å²	43.5	12%	0.121	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	126.5	168.5	177	0	0	0	0	109	I29 V30 M31 G105 I123 E143 I145 V148	I29-V141 HydrophobicContact CG2-CB 4.44Å; I29-V141 HydrophobicContact CG2-CG1 3.89Å; I29-V141 HydrophobicContact CG2-CG2 3.77Å; V30-V141 CarbonylContact O-C 3.57Å; V30-V141 WeakPolarHBondContact O-CA 3.49Å; M31-V141 HydrophobicContact CG-CG2 4Å; G105-V141 PolarHBondContact O-N 3.47Å; I123-V141 HydrophobicContact CD1-CG2 4.4Å; I123-V141 HydrophobicContact CG2-CG2 3.83Å; V141-E143 VanDerWaalsContact CG1-O 3.25Å; V141-E143 WeakPolarHBondContact CG1-O 3.25Å; V141-I145 HydrophobicContact CB-CD1 4.32Å; V141-I145 HydrophobicContact CG1-CB 4.26Å; V141-I145 HydrophobicContact CG1-CD1 4.3Å; V141-V148 HydrophobicContact CG2-CG2 4.22Å
142	V	98.7	Very high	98.6	Very high	59 Å²	59	44.1 Å²	44.1	36%	0.358	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-22.6	177.1	-61.4	0	0	0	0	112.4	V30 E32 S140	V30-V142 HydrophobicContact CB-CG2 4.02Å; V30-V142 HydrophobicContact CG1-CG2 3.65Å; V30-V142 PolarHBondContact O-N 2.98Å; E32-V142 HydrophobicContact CB-CG1 3.69Å; S140-V142 PolarHBondContact O-N 3Å
143	E	98.8	Very high	98.6	Very high	115 Å²	115	45.7 Å²	45.7	54%	0.537	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.2	171.1	-55.4	171.4	-147.3	0	0	109.9	I29 V30 V141	I29-E143 WeakPolarHBondContact CA-O 3.43Å; V30-E143 HydrophobicContact CB-CB 3.87Å; V30-E143 HydrophobicContact CB-CG 4.28Å; V30-E143 HydrophobicContact CG2-CB 3.96Å; V30-E143 HydrophobicContact CG2-CG 4.44Å; V30-E143 PolarHBondContact N-O 3.08Å; V30-E143 PolarHBondContact O-N 3.31Å; V141-E143 VanDerWaalsContact CG1-O 3.25Å; V141-E143 WeakPolarHBondContact CG1-O 3.25Å
144	G	98.6	Very high	98.7	Very high	14 Å²	14	45.6 Å²	45.6	14%	0.144	24%	0.235	C	C	.	.			trans	83.4	26.5	176.7	0	0	0	0	0	115.2	R28 D146 V147 V148	R28-G144 WeakPolarHBondContact O-CA 3.4Å; G144-D146 WeakPolarHBondContact CA-OD1 3.08Å; G144-D146 PolarHBondContact O-N 3.11Å; G144-V147 VanDerWaalsContact O-CB 3.31Å; G144-V147 WeakPolarHBondContact O-CB 3.37Å; G144-V147 PolarHBondContact O-N 3.47Å; G144-V148 PolarHBondContact O-N 2.82Å
145	I	98.5	Very high	98.7	Very high	62 Å²	62	40.5 Å²	40.5	32%	0.318	22%	0.218	S	C	.	.	H	α-helix	trans	-62.6	-28.2	175.1	-166.5	62.4	0	0	0	112.4	V141 V147 V148 K149	V141-I145 HydrophobicContact CB-CD1 4.32Å; V141-I145 HydrophobicContact CG1-CB 4.26Å; V141-I145 HydrophobicContact CG1-CD1 4.3Å; I145-V147 VanDerWaalsContact C-N 3.33Å; I145-V148 HydrophobicContact CD1-CB 4.3Å; I145-V148 HydrophobicContact CD1-CG2 4.4Å; I145-V148 WeakPolarHBondContact O-CB 3.45Å; I145-V148 PolarHBondContact O-N 2.92Å; I145-K149 WeakPolarHBondContact O-CG 3.25Å; I145-K149 PolarHBondContact O-N 3.39Å
146	D	98.6	Very high	98.7	Very high	109 Å²	109	40.9 Å²	40.9	58%	0.583	22%	0.224	S	C	*	.	H	α-helix	trans	-64.6	-34.8	171.5	63	-51.9	0	0	0	112.2	G144 K149 K150	G144-D146 WeakPolarHBondContact CA-OD1 3.08Å; G144-D146 PolarHBondContact O-N 3.11Å; D146-K149 PolarHBondContact O-N 3.46Å; D146-K150 WeakPolarHBondContact O-CB 3.46Å; D146-K150 PolarHBondContact O-N 3.06Å
147	V	98.8	Very high	98.6	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-41.9	172.4	-176.3	0	0	0	0	110.3	I19 L26 I29 G144 I145 K150 M151	I19-V147 HydrophobicContact CB-CG1 4.11Å; I19-V147 HydrophobicContact CG1-CG1 4.16Å; L26-V147 HydrophobicContact CB-CG1 4.12Å; I29-V147 HydrophobicContact CD1-CG1 4.21Å; I29-V147 HydrophobicContact CG1-CB 3.92Å; I29-V147 HydrophobicContact CG1-CG1 3.93Å; G144-V147 VanDerWaalsContact O-CB 3.31Å; G144-V147 WeakPolarHBondContact O-CB 3.37Å; G144-V147 PolarHBondContact O-N 3.47Å; I145-V147 VanDerWaalsContact C-N 3.33Å; V147-K150 WeakPolarHBondContact O-CB 3.24Å; V147-K150 PolarHBondContact O-N 2.77Å; V147-M151 HydrophobicContact CG1-SD 4.39Å; V147-M151 VanDerWaalsContact O-CG 3.29Å; V147-M151 WeakPolarHBondContact O-CG 3.46Å; V147-M151 PolarHBondContact O-N 2.87Å
148	V	98.8	Very high	98.5	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-45.6	174.7	-177.6	0	0	0	0	111	I29 I123 T125 V141 G144 I145 K150 M151 E152	I29-V148 HydrophobicContact CD1-CG2 3.67Å; I29-V148 HydrophobicContact CG1-CG2 4.07Å; I29-V148 HydrophobicContact CG2-CG2 4.32Å; I123-V148 HydrophobicContact CB-CG1 4.36Å; I123-V148 HydrophobicContact CD1-CG2 4.28Å; I123-V148 HydrophobicContact CG2-CG1 3.83Å; I123-V148 HydrophobicContact CG2-CG2 4.18Å; T125-V148 HydrophobicContact CG2-CG1 3.94Å; V141-V148 HydrophobicContact CG2-CG2 4.22Å; G144-V148 PolarHBondContact O-N 2.82Å; I145-V148 HydrophobicContact CD1-CB 4.3Å; I145-V148 HydrophobicContact CD1-CG2 4.4Å; I145-V148 WeakPolarHBondContact O-CB 3.45Å; I145-V148 PolarHBondContact O-N 2.92Å; V148-K150 VanDerWaalsContact C-N 3.29Å; V148-K150 PolarHBondContact O-N 2.95Å; V148-M151 WeakPolarHBondContact O-CB 3.17Å; V148-M151 PolarHBondContact O-N 3.12Å; V148-E152 PolarHBondContact O-N 2.84Å
149	K	98.3	Very high	98.4	Very high	124 Å²	124	56.9 Å²	56.9	54%	0.539	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-36.8	174.8	-71.2	178.6	177.9	-178.2	0	112.4	I145 D146 E152 S153	I145-K149 WeakPolarHBondContact O-CG 3.25Å; I145-K149 PolarHBondContact O-N 3.39Å; D146-K149 PolarHBondContact O-N 3.46Å; K149-E152 WeakPolarHBondContact O-CB 3.1Å; K149-E152 PolarHBondContact O-N 3.27Å; K149-S153 PolarHBondContact O-N 3.11Å
150	K	98.6	Very high	98.3	Very high	95 Å²	95	66.2 Å²	66.2	41%	0.413	34%	0.335	S	S	.	.	H	α-helix	trans	-67.9	-41.8	175	-169.1	172.6	-177.4	-172.8	0	111.4	L26 D146 V147 V148 E152 S153 Y154	L26-K150 HydrophobicContact CD2-CD 3.92Å; L26-K150 HydrophobicContact CD2-CG 4.32Å; D146-K150 WeakPolarHBondContact O-CB 3.46Å; D146-K150 PolarHBondContact O-N 3.06Å; V147-K150 WeakPolarHBondContact O-CB 3.24Å; V147-K150 PolarHBondContact O-N 2.77Å; V148-K150 VanDerWaalsContact C-N 3.29Å; V148-K150 PolarHBondContact O-N 2.95Å; K150-E152 VanDerWaalsContact C-N 3.29Å; K150-E152 PolarHBondContact O-N 3.19Å; K150-S153 PolarHBondContact O-N 2.99Å; K150-S153 PolarHBondContact O-OG 2.93Å; K150-Y154 HydrophobicContact CG-CE2 4.3Å; K150-Y154 VanDerWaalsContact O-CD2 3.23Å; K150-Y154 WeakPolarHBondContact O-CD2 3.32Å; K150-Y154 WeakPolarHBondContact O-CE2 3.38Å
151	M	98.6	Very high	98.3	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-58.1	-43.5	172.4	-68.7	164.2	54	0	0	111.6	I19 L26 I29 F62 I65 C71 V147 V148 S153 Y154 I165	I19-M151 HydrophobicContact CB-SD 4.45Å; I19-M151 HydrophobicContact CD1-SD 4.37Å; I19-M151 HydrophobicContact CG1-SD 3.97Å; I19-M151 HydrophobicContact CG2-CG 3.96Å; I19-M151 HydrophobicContact CG2-SD 3.86Å; L26-M151 HydrophobicContact CD1-CG 3.94Å; I29-M151 HydrophobicContact CD1-SD 3.65Å; F62-M151 HydrophobicContact CB-CE 4.32Å; F62-M151 HydrophobicContact CD1-CE 3.55Å; F62-M151 HydrophobicContact CD2-CE 3.43Å; F62-M151 VanDerWaalsContact CD2-CE 3.43Å; F62-M151 HydrophobicContact CE1-CE 3.56Å; F62-M151 HydrophobicContact CE2-CE 3.45Å; F62-M151 VanDerWaalsContact CE2-CE 3.45Å; F62-M151 HydrophobicContact CG-CE 3.48Å; F62-M151 VanDerWaalsContact CG-CE 3.48Å; F62-M151 HydrophobicContact CZ-CE 3.52Å; I65-M151 HydrophobicContact CD1-CB 4.36Å; C71-M151 HydrophobicContact CB-CE 4.19Å; V147-M151 HydrophobicContact CG1-SD 4.39Å; V147-M151 VanDerWaalsContact O-CG 3.29Å; V147-M151 WeakPolarHBondContact O-CG 3.46Å; V147-M151 PolarHBondContact O-N 2.87Å; V148-M151 WeakPolarHBondContact O-CB 3.17Å; V148-M151 PolarHBondContact O-N 3.12Å; M151-S153 VanDerWaalsContact C-N 3.26Å; M151-S153 PolarHBondContact O-N 2.99Å; M151-Y154 WeakPolarHBondContact O-CB 3.42Å; M151-Y154 PolarHBondContact O-N 2.95Å; M151-I165 HydrophobicContact CB-CG2 4.44Å; M151-I165 HydrophobicContact CE-CG2 3.93Å; M151-I165 HydrophobicContact CG-CG2 3.87Å; M151-I165 HydrophobicContact SD-CG2 4.39Å
152	E	98.6	Very high	98.3	Very high	30 Å²	30	69.4 Å²	69.4	14%	0.14	36%	0.357	C	S	.	.	H	α-helix	trans	-55.2	-40.5	178.5	-173.8	179.4	-147.5	0	0	112.6	P67 G68 T125 V148 K149 K150 Y154 G155	P67-E152 WeakPolarHBondContact CA-OE1 3.09Å; P67-E152 HydrophobicContact CB-CG 4.11Å; G68-E152 PolarHBondContact N-OE1 2.74Å; T125-E152 VanDerWaalsContact CB-CD 3.44Å; T125-E152 WeakPolarHBondContact CB-OE1 3.03Å; T125-E152 HydrophobicContact CG2-CB 4.08Å; T125-E152 HydrophobicContact CG2-CG 4.06Å; T125-E152 PolarHBondContact OG1-OE1 2.94Å; V148-E152 PolarHBondContact O-N 2.84Å; K149-E152 WeakPolarHBondContact O-CB 3.1Å; K149-E152 PolarHBondContact O-N 3.27Å; K150-E152 VanDerWaalsContact C-N 3.29Å; K150-E152 PolarHBondContact O-N 3.19Å; E152-Y154 PolarHBondContact O-N 3.39Å; E152-Y154 VanDerWaalsContact O-N 3.08Å; E152-G155 PolarHBondContact O-N 3.06Å
153	S	98.5	Very high	98.3	Very high	85 Å²	85	71.8 Å²	71.8	59%	0.594	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.8	178.1	77	0	0	0	0	114.4	K149 K150 M151	K149-S153 PolarHBondContact O-N 3.11Å; K150-S153 PolarHBondContact O-N 2.99Å; K150-S153 PolarHBondContact O-OG 2.93Å; M151-S153 VanDerWaalsContact C-N 3.26Å; M151-S153 PolarHBondContact O-N 2.99Å
154	Y	98.6	Very high	98.3	Very high	39 Å²	39	72.2 Å²	72.2	15%	0.153	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.9	173.8	-60.2	-67.7	0	0	0	113.3	A21 L26 K150 M151 E152 T161 S162 R163 I165	A21-Y154 HydrophobicContact CB-CE2 4.11Å; L26-Y154 HydrophobicContact CD1-CD2 4.39Å; L26-Y154 HydrophobicContact CD1-CE2 3.86Å; L26-Y154 HydrophobicContact CD2-CE2 4.12Å; K150-Y154 HydrophobicContact CG-CE2 4.3Å; K150-Y154 VanDerWaalsContact O-CD2 3.23Å; K150-Y154 WeakPolarHBondContact O-CD2 3.32Å; K150-Y154 WeakPolarHBondContact O-CE2 3.38Å; M151-Y154 WeakPolarHBondContact O-CB 3.42Å; M151-Y154 PolarHBondContact O-N 2.95Å; E152-Y154 PolarHBondContact O-N 3.39Å; E152-Y154 VanDerWaalsContact O-N 3.08Å; Y154-T161 CarbonylContact O-C 3.46Å; Y154-T161 WeakPolarHBondContact O-CA 3.4Å; Y154-S162 WeakPolarHBondContact CA-OG 3.26Å; Y154-S162 PolarHBondContact O-N 2.78Å; Y154-S162 PolarHBondContact O-OG 3Å; Y154-R163 HydrophobicContact CD1-CB 4.11Å; Y154-R163 HydrophobicContact CD1-CG 3.72Å; Y154-R163 HydrophobicContact CE1-CG 3.93Å; Y154-R163 HydrophobicContact CG-CB 4.41Å; Y154-R163 HydrophobicContact CG-CG 4.5Å; Y154-I165 HydrophobicContact CD2-CD1 3.55Å; Y154-I165 HydrophobicContact CE2-CD1 4.22Å; Y154-I165 HydrophobicContact CG-CD1 3.89Å
155	G	98.6	Very high	98.3	Very high	17 Å²	17	71.6 Å²	71.6	18%	0.175	35%	0.353	C	S	.	.			trans	-79.2	-179.5	178.9	0	0	0	0	0	114.8	I65 E152	I65-G155 WeakPolarHBondContact O-CA 3.44Å; E152-G155 PolarHBondContact O-N 3.06Å
156	S	98.6	Very high	98.3	Very high	40 Å²	40	69.5 Å²	69.5	28%	0.28	34%	0.343	S	S	.	.			trans	-146.7	167.7	172.6	63.7	0	0	0	0	110.7	I65 R158 G159 R160	I65-S156 PolarHBondContact O-N 2.83Å; I65-S156 VanDerWaalsContact O-N 3.09Å; S156-R158 PolarHBondContact O-N 2.79Å; S156-R158 VanDerWaalsContact O-N 3.13Å; S156-G159 WeakPolarHBondContact O-CA 3.38Å; S156-G159 PolarHBondContact O-N 3.15Å; S156-R160 WeakPolarHBondContact CB-O 3.14Å; S156-R160 PolarHBondContact N-O 3.01Å; S156-R160 PolarHBondContact OG-N 3.27Å; S156-R160 VanDerWaalsContact OG-N 3.1Å; S156-R160 PolarHBondContact OG-O 3.21Å
157	S	97.3	Very high	98.3	Very high	109 Å²	109	64.3 Å²	64.3	76%	0.762	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.8	178.9	57.6	0	0	0	0	113.8
158	R	96.3	Very high	98.3	Very high	229 Å²	229	65.9 Å²	65.9	86%	0.864	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0.6	175.7	-63.1	-173.1	-179	-179.5	1.1	113.5	S156 R160	S156-R158 PolarHBondContact O-N 2.79Å; S156-R158 VanDerWaalsContact O-N 3.13Å; R158-R160 VanDerWaalsContact C-N 3.34Å; R158-R160 PolarHBondContact O-N 2.9Å
159	G	97.6	Very high	98.3	Very high	2 Å²	2	68.2 Å²	68.2	2%	0.021	34%	0.342	C	S	.	.	S	Bend	trans	88.5	-12.1	178.8	0	0	0	0	0	115.2	R64 I65 S156 T161	R64-G159 CarbonylContact C-O 3.52Å; R64-G159 VanDerWaalsContact CA-O 3.26Å; R64-G159 WeakPolarHBondContact CA-O 3.35Å; I65-G159 PolarHBondContact N-O 2.92Å; I65-G159 CarbonylContact O-C 3.55Å; I65-G159 VanDerWaalsContact O-CA 3.29Å; I65-G159 WeakPolarHBondContact O-CA 3.4Å; S156-G159 WeakPolarHBondContact O-CA 3.38Å; S156-G159 PolarHBondContact O-N 3.15Å; G159-T161 PolarHBondContact O-N 3.4Å
160	R	97.6	Very high	98.3	Very high	200 Å²	200	62.5 Å²	62.5	76%	0.755	32%	0.317	S	S	*	.			trans	-65	134.9	178.1	-167.6	179.6	79.6	155.3	3.1	110.1	S156 R158	S156-R160 WeakPolarHBondContact CB-O 3.14Å; S156-R160 PolarHBondContact N-O 3.01Å; S156-R160 PolarHBondContact OG-N 3.27Å; S156-R160 VanDerWaalsContact OG-N 3.1Å; S156-R160 PolarHBondContact OG-O 3.21Å; R158-R160 VanDerWaalsContact C-N 3.34Å; R158-R160 PolarHBondContact O-N 2.9Å
161	T	98.2	Very high	98.3	Very high	32 Å²	32	61.3 Å²	61.3	20%	0.196	32%	0.315	C	S	.	.			trans	-87.4	146.2	176.6	65.4	0	0	0	0	111.7	I65 Y154 G159 R163	I65-T161 HydrophobicContact CB-CG2 4.03Å; I65-T161 HydrophobicContact CD1-CG2 3.74Å; I65-T161 HydrophobicContact CG1-CG2 3.77Å; Y154-T161 CarbonylContact O-C 3.46Å; Y154-T161 WeakPolarHBondContact O-CA 3.4Å; G159-T161 PolarHBondContact O-N 3.4Å; T161-R163 WeakPolarHBondContact CB-O 3.46Å; T161-R163 PolarHBondContact OG1-O 2.86Å
162	S	98.3	Very high	98.3	Very high	88 Å²	88	65.2 Å²	65.2	62%	0.615	33%	0.334	S	S	*	.	S	Bend	trans	-81.6	-17.4	174	59.1	0	0	0	0	113	Y154	Y154-S162 WeakPolarHBondContact CA-OG 3.26Å; Y154-S162 PolarHBondContact O-N 2.78Å; Y154-S162 PolarHBondContact O-OG 3Å
163	R	98.4	Very high	98.1	Very high	110 Å²	110	70 Å²	70	42%	0.415	36%	0.359	S	S	.	.	S	Bend	trans	-134.5	158.6	174.8	-63.1	-164.1	-179.2	-140.8	0.5	110.7	A21 D22 Y154 T161 I165	A21-R163 HydrophobicContact CB-CB 4.25Å; D22-R163 WeakPolarHBondContact OD2-CB 3.19Å; D22-R163 VanDerWaalsContact OD2-CD 3.3Å; D22-R163 WeakPolarHBondContact OD2-CD 3.33Å; D22-R163 WeakPolarHBondContact OD2-CG 3.41Å; D22-R163 IonicContact OD2-NE 4Å; Y154-R163 HydrophobicContact CD1-CB 4.11Å; Y154-R163 HydrophobicContact CD1-CG 3.72Å; Y154-R163 HydrophobicContact CE1-CG 3.93Å; Y154-R163 HydrophobicContact CG-CB 4.41Å; Y154-R163 HydrophobicContact CG-CG 4.5Å; T161-R163 WeakPolarHBondContact CB-O 3.46Å; T161-R163 PolarHBondContact OG1-O 2.86Å; R163-I165 HydrophobicContact CB-CD1 4.09Å; R163-I165 PolarHBondContact O-N 2.76Å; R163-I165 VanDerWaalsContact O-N 3.17Å
164	K	98.6	Very high	98.1	Very high	123 Å²	123	69.2 Å²	69.2	54%	0.535	35%	0.347	S	S	.	.			trans	-78.4	98.5	173.3	-170.3	-177.1	179.7	177.6	0	109.8	D22 I61 T166	D22-K164 PolarHBondContact N-O 3.5Å; D22-K164 WeakPolarHBondContact OD1-CB 3.37Å; D22-K164 PolarHBondContact OD1-N 3.23Å; I61-K164 HydrophobicContact CG2-CG 4.08Å; K164-T166 PolarHBondContact O-N 3.06Å
165	I	98.8	Very high	98.1	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	109.5	178	-50.7	-52.1	0	0	0	109.2	I19 T20 A21 L26 I61 F62 I65 M151 Y154 R163	I19-I165 HydrophobicContact CG2-CG2 3.82Å; T20-I165 CarbonylContact O-C 3.58Å; T20-I165 WeakPolarHBondContact O-CA 3.33Å; A21-I165 HydrophobicContact CB-CD1 3.65Å; L26-I165 HydrophobicContact CD1-CD1 4.4Å; I61-I165 CarbonylContact C-O 3.35Å; I61-I165 VanDerWaalsContact CA-O 3.23Å; I61-I165 WeakPolarHBondContact CA-O 3.46Å; I61-I165 VanDerWaalsContact CB-O 3.31Å; I61-I165 WeakPolarHBondContact CB-O 3.37Å; F62-I165 HydrophobicContact CB-CB 4.11Å; F62-I165 HydrophobicContact CB-CG2 4.07Å; F62-I165 HydrophobicContact CD2-CG2 3.95Å; F62-I165 HydrophobicContact CG-CG2 4.3Å; F62-I165 PolarHBondContact N-O 3.47Å; I65-I165 HydrophobicContact CD1-CB 4.34Å; I65-I165 HydrophobicContact CD1-CG1 3.89Å; M151-I165 HydrophobicContact CB-CG2 4.44Å; M151-I165 HydrophobicContact CE-CG2 3.93Å; M151-I165 HydrophobicContact CG-CG2 3.87Å; M151-I165 HydrophobicContact SD-CG2 4.39Å; Y154-I165 HydrophobicContact CD2-CD1 3.55Å; Y154-I165 HydrophobicContact CE2-CD1 4.22Å; Y154-I165 HydrophobicContact CG-CD1 3.89Å; R163-I165 HydrophobicContact CB-CD1 4.09Å; R163-I165 PolarHBondContact O-N 2.76Å; R163-I165 VanDerWaalsContact O-N 3.17Å
166	T	98.9	Very high	98	Very high	19 Å²	19	73.8 Å²	73.8	12%	0.117	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140	-170.1	-52.2	0	0	0	0	110.9	I19 T20 S60 I61 K164 A168	I19-T166 WeakPolarHBondContact CA-O 3.47Å; T20-T166 PolarHBondContact N-O 3.33Å; T20-T166 PolarHBondContact O-N 3.27Å; S60-T166 WeakPolarHBondContact O-CG2 3.45Å; I61-T166 HydrophobicContact CG2-CG2 4.47Å; K164-T166 PolarHBondContact O-N 3.06Å; T166-A168 PolarHBondContact O-N 3.02Å
167	I	98.9	Very high	98	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	91.3	164.4	-58.6	172.4	0	0	0	106.5	F17 D18 I19 R59 S60 F62 F121 C170	F17-I167 HydrophobicContact CB-CG2 4.17Å; F17-I167 HydrophobicContact CD1-CD1 4.25Å; F17-I167 HydrophobicContact CD1-CG2 3.65Å; F17-I167 HydrophobicContact CD2-CD1 4.12Å; F17-I167 HydrophobicContact CD2-CG1 4.46Å; F17-I167 HydrophobicContact CE1-CD1 4.1Å; F17-I167 HydrophobicContact CE1-CG2 4.2Å; F17-I167 HydrophobicContact CE2-CD1 3.99Å; F17-I167 HydrophobicContact CG-CD1 4.25Å; F17-I167 HydrophobicContact CG-CG1 4.34Å; F17-I167 HydrophobicContact CG-CG2 4.02Å; F17-I167 HydrophobicContact CZ-CD1 3.97Å; D18-I167 CarbonylContact O-C 3.58Å; I19-I167 HydrophobicContact CD1-CG1 4.05Å; R59-I167 WeakPolarHBondContact CA-O 3.48Å; R59-I167 PolarHBondContact N-O 2.93Å; S60-I167 PolarHBondContact O-N 2.84Å; F62-I167 HydrophobicContact CD2-CG1 4.22Å; F62-I167 HydrophobicContact CE2-CD1 3.92Å; F62-I167 HydrophobicContact CE2-CG1 3.63Å; F62-I167 HydrophobicContact CZ-CD1 4.41Å; F121-I167 HydrophobicContact CZ-CD1 4.18Å; I167-C170 HydrophobicContact CG2-CB 3.82Å
168	A	98.8	Very high	98.1	Very high	39 Å²	39	73.7 Å²	73.7	32%	0.322	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-38.7	-175.8	0	0	0	0	0	111.8	D18 T20 T166	D18-A168 PolarHBondContact O-N 3.1Å; T20-A168 HydrophobicContact CG2-CB 3.66Å; T166-A168 PolarHBondContact O-N 3.02Å
169	N	98.8	Very high	98.2	Very high	51 Å²	51	63.3 Å²	63.3	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.2	173.1	-162.3	39	0	0	0	110.4	D18 K58	D18-N169 HydrophobicContact CB-CB 4.07Å; D18-N169 PolarHBondContact N-O 2.71Å; K58-N169 VanDerWaalsContact CE-OD1 3.25Å; K58-N169 WeakPolarHBondContact CE-OD1 3.46Å; K58-N169 PolarHBondContact NZ-OD1 3.03Å
170	C	98.8	Very high	98.2	Very high	4 Å²	4	67.7 Å²	67.7	3%	0.027	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	147	177	59.2	0	0	0	0	109.5	F16 F17 C49 K58 I167	F16-C170 WeakPolarHBondContact O-CA 3.4Å; F16-C170 VanDerWaalsContact O-CB 3.29Å; F16-C170 WeakPolarHBondContact O-CB 3.24Å; F17-C170 HydrophobicContact CD1-CB 3.42Å; F17-C170 VanDerWaalsContact CD1-CB 3.42Å; F17-C170 HydrophobicContact CE1-CB 3.75Å; C49-C170 CarbonylContact O-C 3.35Å; C49-C170 VanDerWaalsContact O-O 3.11Å; C49-C170 PolarHBondContact O-SG 3.03Å; K58-C170 PolarHBondContact N-SG 3.21Å; I167-C170 HydrophobicContact CG2-CB 3.82Å
171	D	98.7	Very high	98.3	Very high	70 Å²	70	57.5 Å²	57.5	37%	0.374	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	-177.8	173.9	-143.5	-30.8	0	0	0	109.7	V15 F16 T50	V15-D171 WeakPolarHBondContact CA-O 3.49Å; V15-D171 WeakPolarHBondContact CB-O 3.38Å; F16-D171 HydrophobicContact CD1-CB 4.34Å; F16-D171 WeakPolarHBondContact CD1-O 3.42Å; F16-D171 HydrophobicContact CE1-CB 3.45Å; F16-D171 VanDerWaalsContact CE1-CB 3.45Å; F16-D171 HydrophobicContact CZ-CB 3.71Å; F16-D171 PolarHBondContact N-O 3.09Å; F16-D171 PolarHBondContact O-N 3.2Å; T50-D171 WeakPolarHBondContact CG2-OD1 3.32Å
172	Q	97.9	Very high	98.3	Very high	82 Å²	82	59.7 Å²	59.7	38%	0.383	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	147.5	164.8	-175	176.2	-16.4	0	0	110.9	K14 V15 R46 T50	K14-Q172 WeakPolarHBondContact O-CG 3.4Å; V15-Q172 HydrophobicContact CG1-CB 4.43Å; R46-Q172 VanDerWaalsContact CD-OE1 3.31Å; R46-Q172 VanDerWaalsContact NH1-OE1 3.14Å; T50-Q172 HydrophobicContact CG2-CB 3.87Å
173	L	94.5	Very high	98.3	Very high	129 Å²	129	57.1 Å²	57.1	68%	0.675	28%	0.284	S	S	*	.			trans	-91.7	0	172.2	-68	178.7	0	0	0	112.1	K14 F16 V30	K14-L173 HydrophobicContact CB-CB 4.19Å; K14-L173 HydrophobicContact CB-CD1 4.28Å; K14-L173 PolarHBondContact O-N 3.35Å; F16-L173 HydrophobicContact CB-CD2 4.45Å; F16-L173 HydrophobicContact CB-CG 4.44Å; F16-L173 HydrophobicContact CD1-CD2 3.49Å; F16-L173 VanDerWaalsContact CD1-CD2 3.49Å; F16-L173 HydrophobicContact CD1-CG 3.93Å; F16-L173 HydrophobicContact CE1-CD2 4.1Å; F16-L173 HydrophobicContact CG-CD2 4.28Å; V30-L173 HydrophobicContact CB-CD1 4.33Å; V30-L173 HydrophobicContact CG1-CD1 3.4Å; V30-L173 HydrophobicContact CG2-CD1 3.96Å

Retrieved 173 of 173 residues in 38.5 ms (Link to these results)

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