A0A3Q0KC96_SCHMA Loading...

DUF1907 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KC96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 303 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	90.9	Very high	97	Very high	142 Å²	142	73.2 Å²	73.2	70%	0.7	37%	0.368	S	S	*	.				0	137	0	175.9	-172.8	110.3	0	0	107.5	L296 R297 I298	M1-L296 HydrophobicContact CE-CD1 4.11Å; M1-L296 HydrophobicContact CG-CD1 3.61Å; M1-L296 HydrophobicContact SD-CD1 3.89Å; M1-R297 CarbonylContact C-O 3.57Å; M1-R297 VanDerWaalsContact CA-O 3.24Å; M1-R297 WeakPolarHBondContact CA-O 3.28Å; M1-I298 HydrophobicContact CG-CG1 4.28Å
2	S	95.6	Very high	97.1	Very high	49 Å²	49	76.8 Å²	76.8	34%	0.343	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.3	177.5	-55.6	0	0	0	0	109.6	Y4 R297	S2-Y4 VanDerWaalsContact CB-CZ 3.49Å; S2-Y4 WeakPolarHBondContact CB-OH 3.41Å; S2-R297 PolarHBondContact N-O 3.45Å; S2-R297 PolarHBondContact O-N 2.92Å
3	L	96.6	Very high	97.3	Very high	102 Å²	102	76.4 Å²	76.4	53%	0.534	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.8	175.1	-172.1	72	0	0	0	108.9	H294 L295 L296	L3-H294 HydrophobicContact CD1-CB 3.92Å; L3-H294 HydrophobicContact CG-CB 4.48Å; L3-L295 WeakPolarHBondContact CA-O 3.39Å; L3-L296 HydrophobicContact CD1-CB 4.1Å; L3-L296 HydrophobicContact CD1-CD1 4.15Å
4	Y	97.3	Very high	97.4	Very high	50 Å²	50	70.9 Å²	70.9	20%	0.196	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144	-178.6	-58.2	-86.2	0	0	0	110.1	S2 H252 L254 H294 L295 R297	S2-Y4 VanDerWaalsContact CB-CZ 3.49Å; S2-Y4 WeakPolarHBondContact CB-OH 3.41Å; Y4-H252 AromaticContact CD1-CD2 3.51Å; Y4-H252 AromaticContact CD1-NE2 3.84Å; Y4-H252 AromaticContact CE1-CD2 3.95Å; Y4-L254 HydrophobicContact CD2-CD1 3.78Å; Y4-L254 HydrophobicContact CE1-CD2 4.39Å; Y4-L254 HydrophobicContact CE2-CD1 3.68Å; Y4-L254 HydrophobicContact CE2-CD2 3.66Å; Y4-L254 HydrophobicContact CE2-CG 4.34Å; Y4-L254 HydrophobicContact CG-CD1 4.35Å; Y4-L254 WeakPolarHBondContact OH-CD2 3.17Å; Y4-H294 CarbonylContact O-C 3.56Å; Y4-H294 VanDerWaalsContact O-CA 3.27Å; Y4-H294 WeakPolarHBondContact O-CA 3.5Å; Y4-L295 HydrophobicContact CD2-CD2 3.93Å; Y4-L295 PolarHBondContact N-O 3.06Å; Y4-L295 PolarHBondContact O-N 2.84Å; Y4-R297 HydrophobicContact CE2-CB 3.99Å
5	K	97.7	Very high	97.4	Very high	152 Å²	152	66.5 Å²	66.5	66%	0.661	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.7	174.7	-175.3	173.5	-177	175.8	0	109.8	N193	K5-N193 PolarHBondContact O-ND2 2.96Å
6	L	98.4	Very high	97.5	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.021	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-89.3	159.3	170.6	-64	-179.9	0	0	0	110.6	I57 A194 A292 E293 H294 L295	L6-I57 HydrophobicContact CD1-CD1 4.3Å; L6-A194 WeakPolarHBondContact CA-O 3.44Å; L6-A194 WeakPolarHBondContact CB-O 3.27Å; L6-A194 HydrophobicContact CD2-CB 4.13Å; L6-A194 WeakPolarHBondContact CD2-O 3.35Å; L6-A292 HydrophobicContact CD1-CB 3.76Å; L6-E293 PolarHBondContact N-O 2.78Å; L6-H294 WeakPolarHBondContact CD1-O 3.21Å; L6-L295 HydrophobicContact CD1-CB 4.17Å; L6-L295 HydrophobicContact CD2-CB 3.98Å; L6-L295 HydrophobicContact CD2-CD1 4.49Å; L6-L295 HydrophobicContact CG-CB 4.07Å
7	H	98.2	Very high	97.6	Very high	73 Å²	73	63.8 Å²	63.8	34%	0.338	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-78	127.2	167.7	-176.1	56.2	0	0	0	108.5	P9 N193 A194 V195	H7-P9 VanDerWaalsContact O-CD 3.26Å; H7-P9 WeakPolarHBondContact O-CD 3.4Å; H7-N193 HydrophobicContact CB-CB 4.03Å; H7-A194 PolarHBondContact N-O 2.99Å; H7-V195 HydrophobicContact CB-CG2 4.08Å
8	K	97.8	Very high	97.6	Very high	112 Å²	112	60.3 Å²	60.3	49%	0.487	31%	0.314	S	S	.	.			trans	-112.2	88.4	177	-167.3	-164.8	-165.2	174.6	0	110.2	I291 E293	K8-I291 HydrophobicContact CB-CG2 4.46Å; K8-I291 HydrophobicContact CG-CB 4.34Å; K8-I291 HydrophobicContact CG-CG2 3.85Å; K8-E293 HydrophobicContact CD-CG 3.61Å; K8-E293 WeakPolarHBondContact CE-OE1 3.48Å; K8-E293 HydrophobicContact CG-CG 4.32Å; K8-E293 IonicContact NZ-OE1 2.97Å; K8-E293 PolarHBondContact NZ-OE1 3.38Å
9	P	98.2	Very high	97.7	Very high	11 Å²	11	59.6 Å²	59.6	7%	0.071	31%	0.309	C	S	.	.			trans	-66.2	171.5	168.9	-8.6	20.7	0	0	0	111.3	H7 E13 V14 Y188 V195 I291	H7-P9 VanDerWaalsContact O-CD 3.26Å; H7-P9 WeakPolarHBondContact O-CD 3.4Å; P9-E13 HydrophobicContact CB-CB 4.38Å; P9-V14 HydrophobicContact CB-CG2 3.89Å; P9-V14 HydrophobicContact CG-CG2 3.87Å; P9-Y188 HydrophobicContact CB-CE1 4.34Å; P9-Y188 HydrophobicContact CG-CD1 4.43Å; P9-Y188 HydrophobicContact CG-CE1 3.66Å; P9-Y188 HydrophobicContact CG-CE2 4.39Å; P9-V195 HydrophobicContact CG-CG1 4.27Å; P9-V195 HydrophobicContact CG-CG2 3.65Å; P9-I291 VanDerWaalsContact O-CD1 3.32Å; P9-I291 WeakPolarHBondContact O-CD1 3.38Å
10	S	98.2	Very high	97.7	Very high	67 Å²	67	58.6 Å²	58.6	47%	0.469	31%	0.314	S	S	.	.			trans	-67	150.5	170.7	73.4	0	0	0	0	111.2	L12 E13 V14	S10-L12 PolarHBondContact O-N 3.09Å; S10-E13 PolarHBondContact O-N 3.05Å; S10-E13 VanDerWaalsContact O-N 3.13Å; S10-E13 WeakPolarHBondContact OG-CB 3.35Å; S10-E13 PolarHBondContact OG-N 3.18Å; S10-E13 VanDerWaalsContact OG-N 3.15Å; S10-V14 PolarHBondContact O-N 3.34Å
11	L	98.4	Very high	97.8	Very high	43 Å²	43	57.4 Å²	57.4	23%	0.225	31%	0.307	C	S	.	.	H	α-helix	trans	-55	-40.9	174.9	-64.4	173.6	0	0	0	111.3	E13 V14 S15 I33 P161 I163 I291	L11-E13 VanDerWaalsContact C-N 3.34Å; L11-E13 PolarHBondContact O-N 3.08Å; L11-V14 PolarHBondContact O-N 3.13Å; L11-S15 WeakPolarHBondContact O-CB 3.25Å; L11-S15 PolarHBondContact O-N 3.45Å; L11-I33 HydrophobicContact CB-CD1 3.55Å; L11-I33 HydrophobicContact CB-CG1 4.11Å; L11-I33 HydrophobicContact CD1-CG2 4.12Å; L11-P161 HydrophobicContact CD1-CB 3.99Å; L11-P161 HydrophobicContact CD1-CG 4.27Å; L11-I163 HydrophobicContact CB-CG1 4.29Å; L11-I163 HydrophobicContact CD2-CD1 4.28Å; L11-I163 HydrophobicContact CD2-CG1 3.98Å; L11-I291 HydrophobicContact CD2-CD1 3.77Å; L11-I291 HydrophobicContact CD2-CG1 4Å
12	L	98.4	Very high	98.1	Very high	117 Å²	117	50.7 Å²	50.7	61%	0.613	27%	0.274	S	S	*	.	H	α-helix	trans	-61.5	-41	179.6	-179.5	62.7	0	0	0	112.2	S10 S16	S10-L12 PolarHBondContact O-N 3.09Å; L12-S16 WeakPolarHBondContact O-CB 3.44Å; L12-S16 PolarHBondContact O-N 3.28Å; L12-S16 PolarHBondContact O-OG 3.27Å
13	E	98.6	Very high	98.2	Very high	71 Å²	71	53.5 Å²	53.5	33%	0.332	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-48.3	179.2	-170	-166.9	134.7	0	0	111.5	P9 S10 L11 S15 S16 A17 K187 Y188	P9-E13 HydrophobicContact CB-CB 4.38Å; S10-E13 PolarHBondContact O-N 3.05Å; S10-E13 VanDerWaalsContact O-N 3.13Å; S10-E13 WeakPolarHBondContact OG-CB 3.35Å; S10-E13 PolarHBondContact OG-N 3.18Å; S10-E13 VanDerWaalsContact OG-N 3.15Å; L11-E13 VanDerWaalsContact C-N 3.34Å; L11-E13 PolarHBondContact O-N 3.08Å; E13-S15 VanDerWaalsContact C-N 3.35Å; E13-S15 PolarHBondContact O-N 2.77Å; E13-S16 PolarHBondContact O-N 2.96Å; E13-A17 PolarHBondContact O-N 2.99Å; E13-K187 WeakPolarHBondContact OE1-CE 3.24Å; E13-Y188 WeakPolarHBondContact OE1-CE1 3.36Å; E13-Y188 PolarHBondContact OE1-OH 3.39Å
14	V	98.7	Very high	98.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-43.9	178.4	178.9	0	0	0	0	110.6	P9 S10 L11 S16 A17 I18 I163 L184 Y188 V195 L197 I291	P9-V14 HydrophobicContact CB-CG2 3.89Å; P9-V14 HydrophobicContact CG-CG2 3.87Å; S10-V14 PolarHBondContact O-N 3.34Å; L11-V14 PolarHBondContact O-N 3.13Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 2.77Å; V14-A17 PolarHBondContact O-N 3.2Å; V14-I18 HydrophobicContact CG1-CD1 3.76Å; V14-I18 HydrophobicContact CG1-CG1 4.32Å; V14-I18 WeakPolarHBondContact O-CG1 3.38Å; V14-I18 PolarHBondContact O-N 3.5Å; V14-I163 HydrophobicContact CB-CD1 3.75Å; V14-I163 HydrophobicContact CG1-CD1 3.58Å; V14-L184 HydrophobicContact CG1-CD2 4.04Å; V14-Y188 HydrophobicContact CG2-CE2 4.29Å; V14-V195 HydrophobicContact CG2-CG1 4.48Å; V14-L197 HydrophobicContact CG1-CD1 4.26Å; V14-L197 HydrophobicContact CG1-CD2 4.15Å; V14-I291 HydrophobicContact CB-CD1 4.22Å; V14-I291 HydrophobicContact CG2-CD1 3.57Å; V14-I291 HydrophobicContact CG2-CG1 4.31Å
15	S	98.6	Very high	98.3	Very high	4 Å²	4	52 Å²	52	3%	0.028	28%	0.276	C	S	.	.	H	α-helix	trans	-56.9	-45	175.9	177	0	0	0	0	111.7	L11 E13 A17 I18 E19 C31	L11-S15 WeakPolarHBondContact O-CB 3.25Å; L11-S15 PolarHBondContact O-N 3.45Å; E13-S15 VanDerWaalsContact C-N 3.35Å; E13-S15 PolarHBondContact O-N 2.77Å; S15-A17 PolarHBondContact O-N 2.98Å; S15-I18 PolarHBondContact O-N 3.4Å; S15-E19 WeakPolarHBondContact O-CB 3.45Å; S15-E19 PolarHBondContact O-N 3.42Å; S15-C31 WeakPolarHBondContact OG-CB 3.37Å; S15-C31 PolarHBondContact OG-O 2.86Å; S15-C31 PolarHBondContact OG-SG 3.35Å
16	S	98.6	Very high	98.4	Very high	69 Å²	69	45 Å²	45	48%	0.483	25%	0.245	S	C	.	.	H	α-helix	trans	-64.6	-40	177.5	-58.5	0	0	0	0	112.4	L12 E13 V14 G20	L12-S16 WeakPolarHBondContact O-CB 3.44Å; L12-S16 PolarHBondContact O-N 3.28Å; L12-S16 PolarHBondContact O-OG 3.27Å; E13-S16 PolarHBondContact O-N 2.96Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 2.77Å; S16-G20 PolarHBondContact O-N 3.43Å
17	A	98.5	Very high	98.4	Very high	19 Å²	19	51.8 Å²	51.8	16%	0.157	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-45.1	177.6	0	0	0	0	0	112	E13 V14 S15 H21 K187	E13-A17 PolarHBondContact O-N 2.99Å; V14-A17 PolarHBondContact O-N 3.2Å; S15-A17 PolarHBondContact O-N 2.98Å; A17-H21 PolarHBondContact O-N 3.15Å; A17-H21 VanDerWaalsContact O-N 3.13Å; A17-K187 HydrophobicContact CB-CB 3.99Å; A17-K187 HydrophobicContact CB-CD 4.37Å; A17-K187 HydrophobicContact CB-CG 3.84Å
18	I	98.8	Very high	98.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-50	176.5	-71.2	173.6	0	0	0	110.7	V14 S15 G20 H21 L22 L165 A183 L197	V14-I18 HydrophobicContact CG1-CD1 3.76Å; V14-I18 HydrophobicContact CG1-CG1 4.32Å; V14-I18 WeakPolarHBondContact O-CG1 3.38Å; V14-I18 PolarHBondContact O-N 3.5Å; S15-I18 PolarHBondContact O-N 3.4Å; I18-G20 PolarHBondContact O-N 3.13Å; I18-H21 PolarHBondContact O-N 3.26Å; I18-L22 HydrophobicContact CG2-CD1 3.5Å; I18-L22 HydrophobicContact CG2-CG 4.42Å; I18-L22 WeakPolarHBondContact O-CB 3.33Å; I18-L22 WeakPolarHBondContact O-CG 3.42Å; I18-L22 PolarHBondContact O-N 2.77Å; I18-L165 HydrophobicContact CG2-CD1 3.95Å; I18-L165 HydrophobicContact CG2-CD2 3.86Å; I18-L165 HydrophobicContact CG2-CG 4.46Å; I18-A183 HydrophobicContact CG1-CB 4.29Å; I18-L197 HydrophobicContact CD1-CD1 3.83Å
19	E	98.7	Very high	98.4	Very high	47 Å²	47	47.7 Å²	47.7	22%	0.22	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-46.5	-179.6	-161.9	-173.2	-116	0	0	111.7	S15 H21 L22 K23 V29 K30 C31	S15-E19 WeakPolarHBondContact O-CB 3.45Å; S15-E19 PolarHBondContact O-N 3.42Å; E19-H21 VanDerWaalsContact C-N 3.32Å; E19-H21 PolarHBondContact O-N 2.86Å; E19-L22 PolarHBondContact O-N 3.44Å; E19-K23 WeakPolarHBondContact O-CG 3.26Å; E19-K23 PolarHBondContact O-N 3.4Å; E19-K23 IonicContact OE2-NZ 2.77Å; E19-K23 PolarHBondContact OE2-NZ 2.81Å; E19-V29 HydrophobicContact CG-CG1 3.81Å; E19-K30 WeakPolarHBondContact OE1-CA 3.48Å; E19-C31 HydrophobicContact CB-CB 3.69Å; E19-C31 HydrophobicContact CG-CB 4.12Å; E19-C31 PolarHBondContact OE1-N 3.17Å
20	G	98.4	Very high	98.4	Very high	40 Å²	40	53.2 Å²	53.2	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-59	-42	179.9	0	0	0	0	0	112.6	S16 I18	S16-G20 PolarHBondContact O-N 3.43Å; I18-G20 PolarHBondContact O-N 3.13Å
21	H	98.3	Very high	98.5	Very high	34 Å²	34	50.7 Å²	50.7	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-71.4	-47.1	178.9	-172.4	84.1	0	0	0	112.4	A17 I18 E19 K23 N24 E182 A183	A17-H21 PolarHBondContact O-N 3.15Å; A17-H21 VanDerWaalsContact O-N 3.13Å; I18-H21 PolarHBondContact O-N 3.26Å; E19-H21 VanDerWaalsContact C-N 3.32Å; E19-H21 PolarHBondContact O-N 2.86Å; H21-K23 VanDerWaalsContact C-N 3.25Å; H21-K23 PolarHBondContact O-N 3.16Å; H21-N24 PolarHBondContact O-N 3.38Å; H21-E182 IonicContact NE2-OE2 3.38Å; H21-A183 HydrophobicContact CB-CB 3.51Å
22	L	98.5	Very high	98.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.7	-17.9	-173.8	-73.1	170.8	0	0	0	113.6	I18 E19 N24 C25 F26 V29 L165 V167 F176 M179	I18-L22 HydrophobicContact CG2-CD1 3.5Å; I18-L22 HydrophobicContact CG2-CG 4.42Å; I18-L22 WeakPolarHBondContact O-CB 3.33Å; I18-L22 WeakPolarHBondContact O-CG 3.42Å; I18-L22 PolarHBondContact O-N 2.77Å; E19-L22 PolarHBondContact O-N 3.44Å; L22-N24 PolarHBondContact O-N 2.86Å; L22-N24 VanDerWaalsContact O-N 3.13Å; L22-C25 HydrophobicContact CD2-CB 4.11Å; L22-C25 WeakPolarHBondContact O-CA 3.3Å; L22-C25 VanDerWaalsContact O-CB 3.27Å; L22-C25 WeakPolarHBondContact O-CB 3.42Å; L22-C25 PolarHBondContact O-N 2.92Å; L22-F26 HydrophobicContact CD2-CD2 4.2Å; L22-F26 HydrophobicContact CD2-CE2 4.01Å; L22-F26 PolarHBondContact O-N 3.27Å; L22-V29 HydrophobicContact CB-CG1 3.8Å; L22-V29 HydrophobicContact CB-CG2 4.06Å; L22-V29 WeakPolarHBondContact O-CG2 3.32Å; L22-L165 HydrophobicContact CD1-CD1 3.8Å; L22-L165 HydrophobicContact CD1-CD2 3.55Å; L22-L165 HydrophobicContact CD1-CG 4.27Å; L22-V167 HydrophobicContact CD1-CG1 4.29Å; L22-F176 HydrophobicContact CD1-CE2 4.46Å; L22-M179 HydrophobicContact CD2-CB 3.55Å; L22-M179 HydrophobicContact CD2-SD 4.43Å
23	K	98.3	Very high	98.5	Very high	108 Å²	108	47.9 Å²	47.9	47%	0.47	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.9	172.3	-82.8	169.5	-179.9	157.7	0	113.4	E19 H21 C25 V29	E19-K23 WeakPolarHBondContact O-CG 3.26Å; E19-K23 PolarHBondContact O-N 3.4Å; E19-K23 IonicContact OE2-NZ 2.77Å; E19-K23 PolarHBondContact OE2-NZ 2.81Å; H21-K23 VanDerWaalsContact C-N 3.25Å; H21-K23 PolarHBondContact O-N 3.16Å; K23-C25 VanDerWaalsContact C-N 3.32Å; K23-V29 HydrophobicContact CG-CB 4.18Å; K23-V29 HydrophobicContact CG-CG2 4.48Å
24	N	97.7	Very high	98.4	Very high	122 Å²	122	46.8 Å²	46.8	65%	0.652	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.5	173.1	-61.7	-42.3	0	0	0	113.3	H21 L22	H21-N24 PolarHBondContact O-N 3.38Å; L22-N24 PolarHBondContact O-N 2.86Å; L22-N24 VanDerWaalsContact O-N 3.13Å
25	C	98	Very high	98.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-28.5	-171.5	-57.5	0	0	0	0	113	L22 K23 R170 I171 R172 M179	L22-C25 HydrophobicContact CD2-CB 4.11Å; L22-C25 WeakPolarHBondContact O-CA 3.3Å; L22-C25 VanDerWaalsContact O-CB 3.27Å; L22-C25 WeakPolarHBondContact O-CB 3.42Å; L22-C25 PolarHBondContact O-N 2.92Å; K23-C25 VanDerWaalsContact C-N 3.32Å; C25-R170 WeakPolarHBondContact O-CA 3.36Å; C25-I171 WeakPolarHBondContact O-CG1 3.32Å; C25-I171 PolarHBondContact O-N 3.29Å; C25-R172 HydrophobicContact CB-CB 4.44Å; C25-R172 PolarHBondContact O-N 3.48Å; C25-R172 PolarHBondContact SG-NE 2.76Å; C25-R172 VanDerWaalsContact SG-NE 3.36Å; C25-R172 PolarHBondContact SG-NH2 3.16Å; C25-R172 VanDerWaalsContact SG-NH2 3.43Å; C25-M179 HydrophobicContact CB-SD 3.47Å; C25-M179 WeakPolarHBondContact CB-SD 3.47Å
26	F	98.4	Very high	98.4	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.013	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.2	-177.6	-66.6	-95.1	0	0	0	111.1	L22 V29 V167 G169 R170 F176 M179 V283 Y285	L22-F26 HydrophobicContact CD2-CD2 4.2Å; L22-F26 HydrophobicContact CD2-CE2 4.01Å; L22-F26 PolarHBondContact O-N 3.27Å; F26-V29 HydrophobicContact CB-CG2 3.74Å; F26-V167 HydrophobicContact CB-CB 4.14Å; F26-V167 HydrophobicContact CD1-CB 3.9Å; F26-V167 HydrophobicContact CD1-CG2 3.81Å; F26-V167 HydrophobicContact CD2-CB 4Å; F26-V167 HydrophobicContact CD2-CG1 4.29Å; F26-V167 HydrophobicContact CD2-CG2 4.08Å; F26-V167 HydrophobicContact CE1-CB 4.3Å; F26-V167 HydrophobicContact CE1-CG2 3.7Å; F26-V167 HydrophobicContact CE2-CB 4.43Å; F26-V167 HydrophobicContact CE2-CG2 4Å; F26-V167 HydrophobicContact CG-CB 3.75Å; F26-V167 HydrophobicContact CG-CG1 4.44Å; F26-V167 HydrophobicContact CG-CG2 4.02Å; F26-V167 HydrophobicContact CZ-CG2 3.81Å; F26-G169 WeakPolarHBondContact CA-O 3.38Å; F26-R170 HydrophobicContact CD1-CB 3.81Å; F26-R170 HydrophobicContact CD1-CG 4.35Å; F26-R170 HydrophobicContact CE1-CB 3.57Å; F26-R170 HydrophobicContact CE1-CG 3.95Å; F26-R170 HydrophobicContact CZ-CB 4.23Å; F26-R170 HydrophobicContact CZ-CG 4.1Å; F26-F176 AromaticContact CE2-CD2 3.8Å; F26-F176 HydrophobicContact CE2-CD2 3.8Å; F26-F176 HydrophobicContact CE2-CE2 4.18Å; F26-F176 AromaticContact CZ-CD2 3.62Å; F26-F176 HydrophobicContact CZ-CD2 3.62Å; F26-F176 HydrophobicContact CZ-CE2 4.22Å; F26-F176 HydrophobicContact CZ-CG 4.45Å; F26-M179 HydrophobicContact CE2-SD 3.75Å; F26-M179 HydrophobicContact CZ-SD 4.34Å; F26-V283 HydrophobicContact CE1-CG1 4.03Å; F26-Y285 HydrophobicContact CE1-CD2 4.12Å; F26-Y285 HydrophobicContact CE1-CE2 4.33Å; F26-Y285 HydrophobicContact CZ-CD2 4.31Å; F26-Y285 HydrophobicContact CZ-CE2 4.44Å
27	K	98.2	Very high	98.3	Very high	148 Å²	148	51.4 Å²	51.4	64%	0.643	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	-42	175.5	-70.1	176.2	-174.3	173.7	0	111.9	S168 G169 I171	K27-S168 PolarHBondContact N-O 3.32Å; K27-G169 WeakPolarHBondContact CG-O 3.29Å; K27-G169 PolarHBondContact N-O 3.08Å; K27-I171 HydrophobicContact CD-CG2 4.45Å; K27-I171 HydrophobicContact CG-CG2 3.6Å
28	T	98.5	Very high	98.3	Very high	81 Å²	81	52.8 Å²	52.8	50%	0.497	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130	178.1	-46.7	0	0	0	0	108.8	V167 S168	T28-V167 CarbonylContact O-C 3.57Å; T28-V167 VanDerWaalsContact O-CA 3.24Å; T28-V167 WeakPolarHBondContact O-CA 3.44Å; T28-S168 WeakPolarHBondContact CB-OG 3.36Å; T28-S168 PolarHBondContact N-O 3.41Å; T28-S168 VanDerWaalsContact N-O 3.11Å; T28-S168 PolarHBondContact O-N 2.96Å; T28-S168 PolarHBondContact OG1-OG 3.5Å
29	V	98.7	Very high	98.3	Very high	18 Å²	18	52.8 Å²	52.8	11%	0.109	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	128.7	174.9	-176.8	0	0	0	0	107.8	E19 L22 K23 F26 L165 N166 V167	E19-V29 HydrophobicContact CG-CG1 3.81Å; L22-V29 HydrophobicContact CB-CG1 3.8Å; L22-V29 HydrophobicContact CB-CG2 4.06Å; L22-V29 WeakPolarHBondContact O-CG2 3.32Å; K23-V29 HydrophobicContact CG-CB 4.18Å; K23-V29 HydrophobicContact CG-CG2 4.48Å; F26-V29 HydrophobicContact CB-CG2 3.74Å; V29-L165 HydrophobicContact CG1-CD1 4.26Å; V29-N166 WeakPolarHBondContact CA-O 3.49Å; V29-V167 HydrophobicContact CB-CG1 4.24Å; V29-V167 HydrophobicContact CG1-CG1 3.9Å; V29-V167 HydrophobicContact CG2-CG1 3.97Å
30	K	98.7	Very high	98.2	Very high	127 Å²	127	53.5 Å²	53.5	55%	0.552	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	124.4	169.5	-177.6	174.3	178.4	-177.8	0	108.7	E19 N166	E19-K30 WeakPolarHBondContact OE1-CA 3.48Å; K30-N166 PolarHBondContact N-O 3.04Å; K30-N166 PolarHBondContact O-N 3.45Å
31	C	98.6	Very high	98.2	Very high	14 Å²	14	54.5 Å²	54.5	10%	0.095	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.9	170.8	-155.1	0	0	0	0	109.5	S15 E19 I163 E164 L165	S15-C31 WeakPolarHBondContact OG-CB 3.37Å; S15-C31 PolarHBondContact OG-O 2.86Å; S15-C31 PolarHBondContact OG-SG 3.35Å; E19-C31 HydrophobicContact CB-CB 3.69Å; E19-C31 HydrophobicContact CG-CB 4.12Å; E19-C31 PolarHBondContact OE1-N 3.17Å; C31-I163 WeakPolarHBondContact SG-CG2 3.27Å; C31-E164 CarbonylContact C-O 3.6Å; C31-E164 VanDerWaalsContact CA-O 3.29Å; C31-E164 WeakPolarHBondContact CA-O 3.32Å; C31-E164 PolarHBondContact SG-O 3.18Å; C31-L165 HydrophobicContact CB-CD1 4.13Å
32	S	98.2	Very high	98	Very high	32 Å²	32	57.1 Å²	57.1	22%	0.224	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	162.8	-176.6	42.9	0	0	0	0	111.3	E164	S32-E164 PolarHBondContact N-O 2.79Å; S32-E164 PolarHBondContact O-N 3.13Å
33	I	98.5	Very high	97.9	Very high	68 Å²	68	58.9 Å²	58.9	35%	0.349	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.8	168.6	-51.3	-45.5	0	0	0	107.7	L11 P161 V162 I163	L11-I33 HydrophobicContact CB-CD1 3.55Å; L11-I33 HydrophobicContact CB-CG1 4.11Å; L11-I33 HydrophobicContact CD1-CG2 4.12Å; I33-P161 HydrophobicContact CG2-CB 3.92Å; I33-V162 WeakPolarHBondContact CA-O 3.36Å; I33-I163 HydrophobicContact CD1-CG1 3.87Å
34	T	98.3	Very high	97.9	Very high	49 Å²	49	54.8 Å²	54.8	30%	0.301	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161.9	179.1	-172.9	0	0	0	0	109.6	P161 V162 E164 Y288	T34-P161 CarbonylContact O-C 3.5Å; T34-P161 WeakPolarHBondContact O-CA 3.43Å; T34-V162 HydrophobicContact CG2-CG2 4.22Å; T34-V162 PolarHBondContact N-O 3.25Å; T34-V162 VanDerWaalsContact N-O 3.09Å; T34-V162 PolarHBondContact O-N 3.07Å; T34-E164 HydrophobicContact CG2-CB 3.49Å; T34-E164 VanDerWaalsContact CG2-CB 3.49Å; T34-E164 HydrophobicContact CG2-CG 4.33Å; T34-Y288 HydrophobicContact CG2-CD1 4.45Å; T34-Y288 HydrophobicContact CG2-CE1 4.07Å
35	D	98.1	Very high	97.8	Very high	121 Å²	121	50.5 Å²	50.5	65%	0.647	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	134.2	163.9	-66.4	-39.7	0	0	0	109.7
36	C	98.1	Very high	97.8	Very high	15 Å²	15	50.9 Å²	50.9	10%	0.101	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-58.6	127.3	178.7	-168.8	0	0	0	0	109.8	G50 G160 V162	C36-G50 VanDerWaalsContact SG-CA 3.57Å; C36-G160 WeakPolarHBondContact CB-O 3.36Å; C36-G160 PolarHBondContact N-O 3.06Å; C36-V162 HydrophobicContact CB-CB 4.47Å; C36-V162 HydrophobicContact CB-CG1 3.75Å; C36-V162 HydrophobicContact CB-CG2 3.86Å
37	P	97.8	Very high	97.7	Very high	34 Å²	34	52 Å²	52	22%	0.221	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-64.1	160.4	171	30	-35.3	0	0	0	109.9	L39 Y44 R49 Y288	P37-L39 HydrophobicContact CG-CD2 3.95Å; P37-L39 PolarHBondContact O-N 3.43Å; P37-Y44 HydrophobicContact CB-CE2 4.15Å; P37-Y44 HydrophobicContact CG-CE2 4.14Å; P37-R49 VanDerWaalsContact O-O 3.07Å; P37-Y288 HydrophobicContact CG-CD1 4.26Å; P37-Y288 HydrophobicContact CG-CD2 4.02Å; P37-Y288 HydrophobicContact CG-CE1 3.89Å; P37-Y288 HydrophobicContact CG-CE2 3.63Å; P37-Y288 HydrophobicContact CG-CG 4.32Å
38	D	98.1	Very high	97.5	Very high	47 Å²	47	45.3 Å²	45.3	25%	0.251	27%	0.27	S	S	.	.			trans	-68.8	101.7	174.9	-163.4	-38.5	0	0	0	110	T40 S41 R49	D38-T40 PolarHBondContact O-N 3.18Å; D38-T40 VanDerWaalsContact O-N 3.17Å; D38-T40 WeakPolarHBondContact OD1-CB 3.47Å; D38-T40 PolarHBondContact OD1-N 3.27Å; D38-T40 PolarHBondContact OD1-OG1 2.96Å; D38-S41 VanDerWaalsContact O-CB 3.27Å; D38-S41 WeakPolarHBondContact O-CB 3.4Å; D38-S41 PolarHBondContact O-N 3.36Å; D38-R49 WeakPolarHBondContact CA-O 3.43Å; D38-R49 IonicContact OD2-CZ 3.71Å; D38-R49 IonicContact OD2-NE 2.95Å; D38-R49 PolarHBondContact OD2-NE 2.68Å; D38-R49 IonicContact OD2-NH2 2.81Å; D38-R49 PolarHBondContact OD2-NH2 3.49Å
39	L	98.1	Very high	97.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-3.2	-175.8	-59.8	-176.7	0	0	0	113.8	P37 S41 Y44 L46 L48 R49 L51 V200	P37-L39 HydrophobicContact CG-CD2 3.95Å; P37-L39 PolarHBondContact O-N 3.43Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-Y44 HydrophobicContact CD2-CD1 3.88Å; L39-Y44 HydrophobicContact CD2-CD2 3.87Å; L39-Y44 HydrophobicContact CD2-CE1 4.1Å; L39-Y44 HydrophobicContact CD2-CE2 4.09Å; L39-Y44 HydrophobicContact CD2-CG 3.76Å; L39-Y44 WeakPolarHBondContact O-CB 3.31Å; L39-L46 HydrophobicContact CB-CB 4.34Å; L39-L46 HydrophobicContact CB-CD1 4.14Å; L39-L46 HydrophobicContact CB-CG 4.49Å; L39-L46 HydrophobicContact CD1-CD1 4.16Å; L39-L46 WeakPolarHBondContact O-CB 3.28Å; L39-L46 PolarHBondContact O-N 3.14Å; L39-L48 CarbonylContact C-O 3.54Å; L39-L48 WeakPolarHBondContact CB-O 3.43Å; L39-R49 PolarHBondContact N-O 2.94Å; L39-L51 HydrophobicContact CD1-CD1 3.91Å; L39-L51 HydrophobicContact CD1-CD2 4.03Å; L39-L51 HydrophobicContact CD1-CG 3.61Å; L39-V200 HydrophobicContact CD1-CG1 4.01Å; L39-V200 HydrophobicContact CD2-CG1 3.93Å
40	T	97.2	Very high	97.3	Very high	63 Å²	63	47.6 Å²	47.6	39%	0.387	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-18.1	167.6	69	0	0	0	0	112.4	D38 L46 L48 R49	D38-T40 PolarHBondContact O-N 3.18Å; D38-T40 VanDerWaalsContact O-N 3.17Å; D38-T40 WeakPolarHBondContact OD1-CB 3.47Å; D38-T40 PolarHBondContact OD1-N 3.27Å; D38-T40 PolarHBondContact OD1-OG1 2.96Å; T40-L46 WeakPolarHBondContact CA-O 3.42Å; T40-L48 WeakPolarHBondContact CG2-O 3.35Å; T40-L48 PolarHBondContact N-O 3.42Å; T40-R49 HydrophobicContact CG2-CG 3.74Å
41	S	97.2	Very high	97.2	Very high	60 Å²	60	41.6 Å²	41.6	42%	0.42	24%	0.242	S	C	.	.	S	Bend	trans	-78.6	161.9	-179.9	-61.3	0	0	0	0	111.9	D38 L39 Y44 G45	D38-S41 VanDerWaalsContact O-CB 3.27Å; D38-S41 WeakPolarHBondContact O-CB 3.4Å; D38-S41 PolarHBondContact O-N 3.36Å; L39-S41 VanDerWaalsContact C-N 3.3Å; S41-Y44 WeakPolarHBondContact O-CB 3.39Å; S41-Y44 WeakPolarHBondContact O-CD2 3.29Å; S41-Y44 PolarHBondContact O-N 3.43Å; S41-G45 PolarHBondContact O-N 3.43Å
42	S	95.8	Very high	97.1	Very high	90 Å²	90	41.7 Å²	41.7	63%	0.629	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	141.1	169.2	-174	0	0	0	0	110.8	Q266	S42-Q266 PolarHBondContact OG-NE2 3Å
43	P	96	Very high	96.9	Very high	36 Å²	36	41.8 Å²	41.8	23%	0.234	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.1	-1	3.7	36.2	-35.7	0	0	0	114.4	V202 P239 I241 Q266	P43-V202 HydrophobicContact CG-CG1 4.16Å; P43-V202 HydrophobicContact CG-CG2 4.5Å; P43-P239 HydrophobicContact CB-CB 4.34Å; P43-I241 WeakPolarHBondContact O-CD1 3.21Å; P43-I241 WeakPolarHBondContact O-CG1 3.34Å; P43-Q266 HydrophobicContact CB-CG 4.39Å
44	Y	97.1	Very high	96.7	Very high	23 Å²	23	44.6 Å²	44.6	9%	0.09	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-48.6	-168.7	-44.6	-69.1	0	0	0	113.3	P37 L39 S41 L46 V202 F264 Y288	P37-Y44 HydrophobicContact CB-CE2 4.15Å; P37-Y44 HydrophobicContact CG-CE2 4.14Å; L39-Y44 HydrophobicContact CD2-CD1 3.88Å; L39-Y44 HydrophobicContact CD2-CD2 3.87Å; L39-Y44 HydrophobicContact CD2-CE1 4.1Å; L39-Y44 HydrophobicContact CD2-CE2 4.09Å; L39-Y44 HydrophobicContact CD2-CG 3.76Å; L39-Y44 WeakPolarHBondContact O-CB 3.31Å; S41-Y44 WeakPolarHBondContact O-CB 3.39Å; S41-Y44 WeakPolarHBondContact O-CD2 3.29Å; S41-Y44 PolarHBondContact O-N 3.43Å; Y44-L46 VanDerWaalsContact C-N 3.26Å; Y44-L46 PolarHBondContact O-N 2.97Å; Y44-V202 HydrophobicContact CD1-CG2 3.71Å; Y44-V202 HydrophobicContact CE1-CG2 3.71Å; Y44-F264 WeakPolarHBondContact O-CZ 3.41Å; Y44-Y288 HydrophobicContact CE1-CD2 4.24Å; Y44-Y288 AromaticContact CE1-CE2 3.93Å; Y44-Y288 HydrophobicContact CE1-CE2 3.93Å; Y44-Y288 AromaticContact CZ-CE2 4Å; Y44-Y288 WeakPolarHBondContact OH-CE2 3.45Å
45	G	96	Very high	96.6	Very high	32 Å²	32	42.3 Å²	42.3	33%	0.33	25%	0.247	S	C	.	.			trans	60.2	29.5	177.3	0	0	0	0	0	114.9	S41	S41-G45 PolarHBondContact O-N 3.43Å
46	L	97.8	Very high	96.6	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.042	22%	0.22	C	C	.	.			trans	-85.2	164.9	179.8	-53.3	-175.4	0	0	0	111.9	L39 T40 Y44 L48 N112 V200 V243 F264	L39-L46 HydrophobicContact CB-CB 4.34Å; L39-L46 HydrophobicContact CB-CD1 4.14Å; L39-L46 HydrophobicContact CB-CG 4.49Å; L39-L46 HydrophobicContact CD1-CD1 4.16Å; L39-L46 WeakPolarHBondContact O-CB 3.28Å; L39-L46 PolarHBondContact O-N 3.14Å; T40-L46 WeakPolarHBondContact CA-O 3.42Å; Y44-L46 VanDerWaalsContact C-N 3.26Å; Y44-L46 PolarHBondContact O-N 2.97Å; L46-L48 HydrophobicContact CB-CD2 3.45Å; L46-L48 VanDerWaalsContact CB-CD2 3.45Å; L46-L48 HydrophobicContact CD1-CD2 3.72Å; L46-L48 HydrophobicContact CG-CD2 4.23Å; L46-N112 WeakPolarHBondContact CA-OD1 3.41Å; L46-V200 HydrophobicContact CD1-CB 4.17Å; L46-V200 HydrophobicContact CD1-CG2 4.18Å; L46-V243 HydrophobicContact CD1-CG1 4.13Å; L46-V243 HydrophobicContact CD2-CG1 3.91Å; L46-F264 HydrophobicContact CD2-CE1 4.31Å; L46-F264 HydrophobicContact CD2-CZ 4Å
47	T	97.1	Very high	96.6	Very high	26 Å²	26	36.5 Å²	36.5	16%	0.16	22%	0.215	C	C	.	.	S	Bend	trans	-81.7	-18.5	178.3	57.4	0	0	0	0	113.3	N112 I113 S114 K121	T47-N112 WeakPolarHBondContact CG2-O 3.26Å; T47-N112 PolarHBondContact N-OD1 3.35Å; T47-N112 PolarHBondContact OG1-OD1 2.69Å; T47-I113 PolarHBondContact OG1-N 3.21Å; T47-S114 PolarHBondContact OG1-N 2.92Å; T47-K121 HydrophobicContact CG2-CB 4.42Å
48	L	94.1	Very high	96.6	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	20%	0.204	C	C	.	.			trans	-100.6	149.8	178.5	78.8	178.5	0	0	0	112	L39 T40 L46 G50 L51 A91 I93	L39-L48 CarbonylContact C-O 3.54Å; L39-L48 WeakPolarHBondContact CB-O 3.43Å; T40-L48 WeakPolarHBondContact CG2-O 3.35Å; T40-L48 PolarHBondContact N-O 3.42Å; L46-L48 HydrophobicContact CB-CD2 3.45Å; L46-L48 VanDerWaalsContact CB-CD2 3.45Å; L46-L48 HydrophobicContact CD1-CD2 3.72Å; L46-L48 HydrophobicContact CG-CD2 4.23Å; L48-G50 WeakPolarHBondContact CD1-O 3.42Å; L48-G50 WeakPolarHBondContact CG-O 3.18Å; L48-L51 HydrophobicContact CD1-CD2 4.01Å; L48-A91 HydrophobicContact CB-CB 3.43Å; L48-A91 VanDerWaalsContact CB-CB 3.43Å; L48-A91 HydrophobicContact CD1-CB 3.64Å; L48-A91 HydrophobicContact CG-CB 4.08Å; L48-I93 HydrophobicContact CD1-CG2 4.5Å; L48-I93 HydrophobicContact CD2-CG2 3.82Å
49	R	94.9	Very high	96.7	Very high	148 Å²	148	33.1 Å²	33.1	56%	0.558	20%	0.195	S	C	*	.	S	Bend	trans	-85.1	-33.7	179.9	-65.7	-175.3	69.4	-159.7	-2.8	113.1	P37 D38 L39 T40	P37-R49 VanDerWaalsContact O-O 3.07Å; D38-R49 WeakPolarHBondContact CA-O 3.43Å; D38-R49 IonicContact OD2-CZ 3.71Å; D38-R49 IonicContact OD2-NE 2.95Å; D38-R49 PolarHBondContact OD2-NE 2.68Å; D38-R49 IonicContact OD2-NH2 2.81Å; D38-R49 PolarHBondContact OD2-NH2 3.49Å; L39-R49 PolarHBondContact N-O 2.94Å; T40-R49 HydrophobicContact CG2-CG 3.74Å
50	G	97.2	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.196	C	C	.	.			trans	-147.2	-179.4	178.4	0	0	0	0	0	112.5	C36 L48 G157 K158	C36-G50 VanDerWaalsContact SG-CA 3.57Å; L48-G50 WeakPolarHBondContact CD1-O 3.42Å; L48-G50 WeakPolarHBondContact CG-O 3.18Å; G50-G157 PolarHBondContact N-O 2.9Å; G50-G157 CarbonylContact O-C 3.55Å; G50-G157 VanDerWaalsContact O-CA 3.22Å; G50-G157 WeakPolarHBondContact O-CA 3.45Å; G50-K158 CarbonylContact C-O 3.49Å; G50-K158 WeakPolarHBondContact CA-O 3.32Å
51	L	97.5	Very high	96.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-111.5	4.8	-178.9	-63.1	165.3	0	0	0	113.1	L39 L48 I93 F153 V162 V200 Y288 S290	L39-L51 HydrophobicContact CD1-CD1 3.91Å; L39-L51 HydrophobicContact CD1-CD2 4.03Å; L39-L51 HydrophobicContact CD1-CG 3.61Å; L48-L51 HydrophobicContact CD1-CD2 4.01Å; L51-I93 HydrophobicContact CD2-CD1 3.79Å; L51-F153 HydrophobicContact CD2-CD1 4.45Å; L51-F153 HydrophobicContact CD2-CE1 4.33Å; L51-V162 HydrophobicContact CB-CG1 4.01Å; L51-V200 HydrophobicContact CD1-CG1 4.5Å; L51-Y288 WeakPolarHBondContact CD1-O 3.42Å; L51-S290 VanDerWaalsContact CB-OG 3.29Å; L51-S290 WeakPolarHBondContact CB-OG 3.47Å; L51-S290 WeakPolarHBondContact O-CB 3.22Å; L51-S290 PolarHBondContact O-OG 2.9Å
52	S	95.4	Very high	96.7	Very high	16 Å²	16	27.8 Å²	27.8	11%	0.112	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-84	165.3	-177.4	-62.9	0	0	0	0	112.3	G157 K158 G160	S52-G157 PolarHBondContact O-N 3.15Å; S52-K158 VanDerWaalsContact CB-O 3.28Å; S52-K158 WeakPolarHBondContact CB-O 3.33Å; S52-K158 PolarHBondContact N-O 3.4Å; S52-K158 PolarHBondContact O-N 3.05Å; S52-G160 WeakPolarHBondContact OG-CA 3.47Å; S52-G160 PolarHBondContact OG-N 3.19Å; S52-G160 PolarHBondContact OG-O 3.47Å
53	G	93.6	Very high	96.7	Very high	35 Å²	35	26.5 Å²	26.5	36%	0.361	14%	0.143	S	C	.	.	S	Bend	trans	111.2	-171.3	-170.3	0	0	0	0	0	111.2	G55 E156	G53-G55 PolarHBondContact O-N 3.49Å; G53-E156 WeakPolarHBondContact CA-OE2 3.27Å
54	E	94.6	Very high	96.7	Very high	127 Å²	127	29 Å²	29	59%	0.593	16%	0.155	S	C	*	.	S	Bend	trans	-67.7	129.2	172.2	-65.1	-168.6	160.9	0	0	110	C155 E293	E54-C155 VanDerWaalsContact O-CA 3.31Å; E54-C155 WeakPolarHBondContact O-CA 3.49Å; E54-E293 WeakPolarHBondContact CB-OE2 3.32Å
55	G	96.8	Very high	96.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133	-177.2	0	0	0	0	0	112.2	G53 M154 A292 E293 H294	G53-G55 PolarHBondContact O-N 3.49Å; G55-M154 CarbonylContact C-O 3.56Å; G55-M154 WeakPolarHBondContact CA-O 3.47Å; G55-A292 CarbonylContact O-C 3.5Å; G55-A292 WeakPolarHBondContact O-CA 3.12Å; G55-E293 PolarHBondContact O-N 3.3Å; G55-H294 PolarHBondContact O-N 3.19Å
56	V	98.1	Very high	96.7	Very high	13 Å²	13	27.4 Å²	27.4	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.9	177.7	-172.9	0	0	0	0	109.5	M154 H294 L296	V56-M154 HydrophobicContact CB-CB 4.33Å; V56-M154 PolarHBondContact N-O 2.93Å; V56-M154 PolarHBondContact O-N 3.25Å; V56-H294 WeakPolarHBondContact CA-O 3.34Å; V56-H294 HydrophobicContact CG1-CB 4.23Å; V56-H294 HydrophobicContact CG2-CB 4.32Å; V56-L296 HydrophobicContact CG1-CB 3.95Å
57	I	98.5	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.6	165.7	-69.5	176.1	0	0	0	107.7	L6 M152 F153 I245 V247 A292 H294 L295 L296	L6-I57 HydrophobicContact CD1-CD1 4.3Å; I57-M152 WeakPolarHBondContact CA-O 3.34Å; I57-F153 HydrophobicContact CG1-CD2 4.42Å; I57-I245 HydrophobicContact CD1-CB 4.34Å; I57-I245 HydrophobicContact CD1-CG2 4.42Å; I57-I245 HydrophobicContact CG1-CG2 4.1Å; I57-I245 HydrophobicContact CG2-CD1 4.38Å; I57-I245 HydrophobicContact CG2-CG2 4.48Å; I57-V247 HydrophobicContact CD1-CG2 3.77Å; I57-A292 HydrophobicContact CD1-CB 4.03Å; I57-A292 HydrophobicContact CG1-CB 3.69Å; I57-H294 PolarHBondContact N-O 2.85Å; I57-L295 HydrophobicContact CG2-CD1 4.36Å; I57-L295 HydrophobicContact CG2-CG 4.42Å; I57-L295 CarbonylContact O-C 3.51Å; I57-L295 VanDerWaalsContact O-CA 3.29Å; I57-L295 WeakPolarHBondContact O-CA 3.26Å; I57-L296 PolarHBondContact O-N 2.89Å
58	C	98.4	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.7	176.8	-58.3	0	0	0	0	109.3	V81 Q151 M152 L296	C58-V81 HydrophobicContact CB-CG1 3.69Å; C58-Q151 WeakPolarHBondContact O-CA 3.15Å; C58-M152 HydrophobicContact CB-CG 3.66Å; C58-M152 HydrophobicContact CB-SD 4.28Å; C58-M152 PolarHBondContact N-O 2.92Å; C58-M152 PolarHBondContact O-N 3.45Å; C58-L296 WeakPolarHBondContact CA-O 3.38Å
59	D	98.3	Very high	96.7	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.059	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	104.2	178.7	-173.3	97.8	0	0	0	109.2	Q151 L256 L296 R297 I298	D59-Q151 HydrophobicContact CB-CG 4.35Å; D59-Q151 VanDerWaalsContact OD1-CD 3.31Å; D59-Q151 VanDerWaalsContact OD1-CG 3.3Å; D59-Q151 WeakPolarHBondContact OD1-CG 3.42Å; D59-Q151 PolarHBondContact OD1-NE2 3.07Å; D59-L256 HydrophobicContact CB-CD2 3.82Å; D59-L256 VanDerWaalsContact CG-CD2 3.48Å; D59-L256 WeakPolarHBondContact OD1-CD2 3.47Å; D59-L296 PolarHBondContact N-O 3.37Å; D59-R297 WeakPolarHBondContact O-CA 3.14Å; D59-R297 PolarHBondContact O-NH1 2.87Å; D59-R297 VanDerWaalsContact O-NH1 3.07Å; D59-R297 VanDerWaalsContact OD2-CD 3.22Å; D59-R297 WeakPolarHBondContact OD2-CD 3.45Å; D59-R297 IonicContact OD2-CZ 3.17Å; D59-R297 IonicContact OD2-NE 2.6Å; D59-R297 PolarHBondContact OD2-NE 3.38Å; D59-R297 VanDerWaalsContact OD2-NE 3.08Å; D59-R297 IonicContact OD2-NH1 2.89Å; D59-R297 PolarHBondContact OD2-NH1 2.78Å; D59-R297 IonicContact OD2-NH2 3.63Å; D59-I298 PolarHBondContact O-N 3.4Å
60	V	98.6	Very high	96.8	Very high	2 Å²	2	29 Å²	29	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.4	-172.5	-171.5	0	0	0	0	109.5	Y76 V81 F146 L149 G150 M152 I298	V60-Y76 HydrophobicContact CG1-CD1 3.61Å; V60-Y76 HydrophobicContact CG1-CD2 4.06Å; V60-Y76 HydrophobicContact CG1-CE1 3.91Å; V60-Y76 HydrophobicContact CG1-CE2 4.33Å; V60-Y76 HydrophobicContact CG1-CG 3.7Å; V60-V81 HydrophobicContact CG2-CG1 4.49Å; V60-V81 HydrophobicContact CG2-CG2 3.9Å; V60-F146 HydrophobicContact CB-CE2 4.04Å; V60-F146 HydrophobicContact CB-CZ 3.78Å; V60-F146 HydrophobicContact CG1-CE2 4.06Å; V60-F146 HydrophobicContact CG1-CZ 3.68Å; V60-F146 HydrophobicContact CG2-CZ 4.12Å; V60-L149 CarbonylContact O-C 3.48Å; V60-L149 VanDerWaalsContact O-CA 3.23Å; V60-L149 WeakPolarHBondContact O-CA 3.32Å; V60-G150 PolarHBondContact N-O 2.97Å; V60-G150 PolarHBondContact O-N 2.84Å; V60-M152 HydrophobicContact CG2-CE 4.21Å; V60-I298 WeakPolarHBondContact CA-O 3.5Å; V60-I298 HydrophobicContact CB-CB 4.34Å; V60-I298 HydrophobicContact CG1-CB 4.05Å; V60-I298 HydrophobicContact CG1-CG2 4.08Å; V60-I298 HydrophobicContact CG2-CB 4.12Å; V60-I298 HydrophobicContact CG2-CD1 4.02Å; V60-I298 HydrophobicContact CG2-CG1 4.32Å
61	G	98.1	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.4	-148.1	-179.2	0	0	0	0	0	112.2	Y76 L148 R297 I298	G61-Y76 WeakPolarHBondContact CA-OH 3.27Å; G61-L148 WeakPolarHBondContact CA-O 3.3Å; G61-R297 PolarHBondContact O-NH1 3.3Å; G61-R297 PolarHBondContact O-NH2 3.12Å; G61-I298 PolarHBondContact N-O 2.98Å
62	S	97.1	Very high	96.7	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.063	21%	0.208	C	C	.	.			trans	-166.4	156.8	176	-177.8	0	0	0	0	111.9	D64 Y65 L148	S62-D64 PolarHBondContact O-N 2.84Å; S62-D64 PolarHBondContact OG-N 3.43Å; S62-D64 PolarHBondContact OG-OD2 2.88Å; S62-D64 VanDerWaalsContact OG-OD2 3.13Å; S62-Y65 WeakPolarHBondContact O-CB 3.47Å; S62-Y65 PolarHBondContact O-N 2.9Å; S62-L148 PolarHBondContact N-O 3.25Å; S62-L148 VanDerWaalsContact N-O 3.09Å
63	F	94.8	Very high	96.9	Very high	62 Å²	62	43.6 Å²	43.6	27%	0.272	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-57.3	-25.3	163.2	-81.4	-87.1	0	0	0	112.4	Y65 L66 L67 L149 R257 H260	F63-Y65 PolarHBondContact O-N 2.6Å; F63-L66 PolarHBondContact O-N 2.87Å; F63-L67 PolarHBondContact O-N 3.12Å; F63-L149 HydrophobicContact CB-CD2 4.41Å; F63-L149 HydrophobicContact CD1-CD2 3.75Å; F63-L149 HydrophobicContact CD2-CD2 4.01Å; F63-L149 HydrophobicContact CE1-CD2 3.86Å; F63-L149 HydrophobicContact CE2-CD1 3.98Å; F63-L149 HydrophobicContact CE2-CD2 4.1Å; F63-L149 HydrophobicContact CG-CD2 3.82Å; F63-L149 HydrophobicContact CZ-CD1 3.94Å; F63-L149 HydrophobicContact CZ-CD2 4.01Å; F63-R257 HydrophobicContact CD2-CB 4.4Å; F63-R257 HydrophobicContact CE2-CB 4.02Å; F63-R257 VanDerWaalsContact CE2-CD 3.42Å; F63-R257 HydrophobicContact CE2-CG 4.35Å; F63-H260 AromaticContact CZ-CE1 3.79Å
64	D	95.6	Very high	97.1	Very high	90 Å²	90	43.8 Å²	43.8	48%	0.481	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-67.9	-11.1	173.5	-53.7	-31.7	0	0	0	113.5	S62 P301	S62-D64 PolarHBondContact O-N 2.84Å; S62-D64 PolarHBondContact OG-N 3.43Å; S62-D64 PolarHBondContact OG-OD2 2.88Å; S62-D64 VanDerWaalsContact OG-OD2 3.13Å; D64-P301 HydrophobicContact CB-CB 4.41Å; D64-P301 HydrophobicContact CB-CG 3.93Å; D64-P301 WeakPolarHBondContact OD2-CG 3.49Å
65	Y	97.3	Very high	97.3	Very high	8 Å²	8	41.5 Å²	41.5	3%	0.031	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-92.9	-12.9	171.5	-59.6	-18.5	0	0	0	112	S62 F63 P70 K71 K74 Y76 L148 D299 P301	S62-Y65 WeakPolarHBondContact O-CB 3.47Å; S62-Y65 PolarHBondContact O-N 2.9Å; F63-Y65 PolarHBondContact O-N 2.6Å; Y65-P70 CarbonylContact O-C 3.56Å; Y65-P70 WeakPolarHBondContact O-CA 3.46Å; Y65-K71 HydrophobicContact CD1-CD 3.72Å; Y65-K71 HydrophobicContact CE1-CD 4.25Å; Y65-K71 HydrophobicContact CG-CD 4.46Å; Y65-K71 PolarHBondContact O-N 2.82Å; Y65-K74 HydrophobicContact CD2-CB 4.21Å; Y65-K74 HydrophobicContact CD2-CD 4.02Å; Y65-K74 HydrophobicContact CD2-CG 3.72Å; Y65-K74 HydrophobicContact CE2-CD 3.97Å; Y65-K74 HydrophobicContact CE2-CG 4.19Å; Y65-K74 HydrophobicContact CG-CG 3.91Å; Y65-K74 PolarHBondContact OH-NZ 3.44Å; Y65-Y76 WeakPolarHBondContact CD2-OH 3.48Å; Y65-Y76 WeakPolarHBondContact CE2-OH 3.34Å; Y65-L148 WeakPolarHBondContact CD2-O 3.44Å; Y65-D299 WeakPolarHBondContact CE2-O 3.07Å; Y65-D299 VanDerWaalsContact CE2-OD2 3.32Å; Y65-D299 WeakPolarHBondContact CE2-OD2 3.2Å; Y65-D299 PolarHBondContact OH-O 2.88Å; Y65-D299 PolarHBondContact OH-OD1 3.35Å; Y65-P301 HydrophobicContact CD1-CG 4.3Å; Y65-P301 HydrophobicContact CE1-CB 3.96Å; Y65-P301 HydrophobicContact CE1-CG 3.65Å
66	L	96.5	Very high	97.3	Very high	13 Å²	13	43 Å²	43	7%	0.068	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-40.7	171.6	175.7	62.5	0	0	0	111.6	F63 V69 P70 L148 L149 F216 W230	F63-L66 PolarHBondContact O-N 2.87Å; L66-V69 CarbonylContact O-C 3.55Å; L66-P70 HydrophobicContact CD1-CG 4.34Å; L66-P70 WeakPolarHBondContact O-CD 3.38Å; L66-L148 HydrophobicContact CB-CD1 4.22Å; L66-L148 HydrophobicContact CD1-CD1 3.66Å; L66-L149 HydrophobicContact CB-CD2 4.3Å; L66-L149 HydrophobicContact CD2-CD2 4.45Å; L66-F216 HydrophobicContact CD1-CD1 4.49Å; L66-F216 HydrophobicContact CD1-CE1 4.07Å; L66-W230 HydrophobicContact CD1-CH2 4.15Å
67	L	95.8	Very high	97.3	Very high	42 Å²	42	42.9 Å²	42.9	22%	0.22	22%	0.218	C	C	.	.	S	Bend	trans	-118.3	147.2	-170	-57.4	175.9	0	0	0	111.6	F63 V69 L221 L227	F63-L67 PolarHBondContact O-N 3.12Å; L67-V69 VanDerWaalsContact C-N 3.34Å; L67-L221 HydrophobicContact CD2-CB 3.65Å; L67-L221 HydrophobicContact CD2-CD1 3.77Å; L67-L221 HydrophobicContact CD2-CG 4.36Å; L67-L227 HydrophobicContact CD1-CD2 4.23Å; L67-L227 HydrophobicContact CD2-CD1 4.21Å
68	P	96.2	Very high	97.3	Very high	67 Å²	67	42.9 Å²	42.9	44%	0.435	22%	0.218	S	C	.	.	S	Bend	cis	-78.4	-16.9	-7.3	33.2	-36.1	0	0	0	112.9	P220 L221 D222	P68-P220 HydrophobicContact CB-CB 4.15Å; P68-P220 WeakPolarHBondContact O-CA 3.46Å; P68-L221 PolarHBondContact O-N 2.78Å; P68-D222 HydrophobicContact CB-CB 4.17Å
69	V	97.1	Very high	97.2	Very high	88 Å²	88	44.5 Å²	44.5	53%	0.533	23%	0.226	S	C	.	.	S	Bend	trans	-125.8	125.7	177.7	-179.4	0	0	0	0	108.6	L66 L67 K71 P220	L66-V69 CarbonylContact O-C 3.55Å; L67-V69 VanDerWaalsContact C-N 3.34Å; V69-K71 PolarHBondContact O-N 2.86Å; V69-P220 HydrophobicContact CG2-CB 3.97Å; V69-P220 HydrophobicContact CG2-CG 3.93Å
70	P	96.8	Very high	97.1	Very high	24 Å²	24	47.6 Å²	47.6	16%	0.156	24%	0.243	C	C	.	.			trans	-63	129.4	-177	-21.7	30	0	0	0	113.4	Y65 L66 K72 F216	Y65-P70 CarbonylContact O-C 3.56Å; Y65-P70 WeakPolarHBondContact O-CA 3.46Å; L66-P70 HydrophobicContact CD1-CG 4.34Å; L66-P70 WeakPolarHBondContact O-CD 3.38Å; P70-K72 HydrophobicContact CB-CG 4.11Å; P70-K72 PolarHBondContact O-N 3.45Å; P70-F216 HydrophobicContact CB-CD1 3.86Å; P70-F216 HydrophobicContact CB-CE1 3.9Å; P70-F216 HydrophobicContact CG-CB 4.37Å; P70-F216 HydrophobicContact CG-CD1 3.37Å; P70-F216 HydrophobicContact CG-CE1 3.87Å; P70-F216 HydrophobicContact CG-CG 4.09Å
71	K	97.2	Very high	97	Very high	94 Å²	94	47.6 Å²	47.6	41%	0.409	24%	0.243	S	C	.	.			trans	-84.7	81.4	169	-61.7	-170.8	-171.5	175.3	0	109.4	Y65 V69 D73 K74 L148	Y65-K71 HydrophobicContact CD1-CD 3.72Å; Y65-K71 HydrophobicContact CE1-CD 4.25Å; Y65-K71 HydrophobicContact CG-CD 4.46Å; Y65-K71 PolarHBondContact O-N 2.82Å; V69-K71 PolarHBondContact O-N 2.86Å; K71-D73 PolarHBondContact O-N 2.86Å; K71-K74 HydrophobicContact CB-CG 3.9Å; K71-K74 WeakPolarHBondContact O-CB 3.33Å; K71-K74 WeakPolarHBondContact O-CG 3.41Å; K71-K74 PolarHBondContact O-N 2.82Å; K71-K74 VanDerWaalsContact O-N 3.09Å; K71-L148 VanDerWaalsContact O-CD2 3.25Å; K71-L148 WeakPolarHBondContact O-CD2 3.26Å
72	K	96.9	Very high	96.8	Very high	109 Å²	109	48 Å²	48	47%	0.474	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	0	-170.4	-63.4	-174	-177.2	-178.1	0	115.1	P70 H75 F100 F216	P70-K72 HydrophobicContact CB-CG 4.11Å; P70-K72 PolarHBondContact O-N 3.45Å; K72-H75 PolarHBondContact O-NE2 2.85Å; K72-F100 HydrophobicContact CB-CE2 3.93Å; K72-F100 HydrophobicContact CB-CZ 3.88Å; K72-F100 HydrophobicContact CD-CE2 4.48Å; K72-F100 HydrophobicContact CG-CE2 4.22Å; K72-F100 HydrophobicContact CG-CZ 4.15Å; K72-F216 HydrophobicContact CD-CD2 4.33Å; K72-F216 HydrophobicContact CD-CE2 4.4Å
73	D	97.6	Very high	96.7	Very high	120 Å²	120	54.7 Å²	54.7	64%	0.642	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.4	172.6	61.5	-46.2	0	0	0	112.9	K71 H75	K71-D73 PolarHBondContact O-N 2.86Å; D73-H75 PolarHBondContact O-N 3.45Å
74	K	98.2	Very high	96.7	Very high	39 Å²	39	53.8 Å²	53.8	17%	0.17	27%	0.27	C	S	.	.			trans	-82.2	92.2	-178.7	-64.6	-60.2	-162.5	162.8	0	111.9	Y65 K71 Y76 A147 L148 D299	Y65-K74 HydrophobicContact CD2-CB 4.21Å; Y65-K74 HydrophobicContact CD2-CD 4.02Å; Y65-K74 HydrophobicContact CD2-CG 3.72Å; Y65-K74 HydrophobicContact CE2-CD 3.97Å; Y65-K74 HydrophobicContact CE2-CG 4.19Å; Y65-K74 HydrophobicContact CG-CG 3.91Å; Y65-K74 PolarHBondContact OH-NZ 3.44Å; K71-K74 HydrophobicContact CB-CG 3.9Å; K71-K74 WeakPolarHBondContact O-CB 3.33Å; K71-K74 WeakPolarHBondContact O-CG 3.41Å; K71-K74 PolarHBondContact O-N 2.82Å; K71-K74 VanDerWaalsContact O-N 3.09Å; K74-Y76 HydrophobicContact CB-CE2 4.24Å; K74-A147 CarbonylContact O-C 3.6Å; K74-A147 VanDerWaalsContact O-CA 3.3Å; K74-A147 WeakPolarHBondContact O-CA 3.2Å; K74-A147 WeakPolarHBondContact O-CB 3.44Å; K74-L148 HydrophobicContact CB-CD2 4.34Å; K74-L148 PolarHBondContact O-N 2.73Å; K74-D299 VanDerWaalsContact NZ-CG 3.3Å; K74-D299 IonicContact NZ-OD1 2.91Å; K74-D299 PolarHBondContact NZ-OD1 2.95Å; K74-D299 IonicContact NZ-OD2 2.62Å; K74-D299 PolarHBondContact NZ-OD2 3.1Å
75	H	98.4	Very high	96.6	Very high	80 Å²	80	50.7 Å²	50.7	37%	0.37	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144	179.2	-54.3	152.5	0	0	0	111.7	K72 D73 F100 F101	K72-H75 PolarHBondContact O-NE2 2.85Å; D73-H75 PolarHBondContact O-N 3.45Å; H75-F100 AromaticContact NE2-CE2 3.96Å; H75-F100 AromaticContact NE2-CZ 3.79Å; H75-F101 HydrophobicContact CB-CD1 4.4Å; H75-F101 HydrophobicContact CB-CE1 3.81Å; H75-F101 HydrophobicContact CB-CE2 4.49Å; H75-F101 HydrophobicContact CB-CZ 3.85Å; H75-F101 AromaticContact CD2-CD1 3.18Å; H75-F101 WeakPolarHBondContact CD2-CD1 3.46Å; H75-F101 AromaticContact CD2-CE1 3.43Å; H75-F101 VanDerWaalsContact CD2-CE1 3.43Å; H75-F101 WeakPolarHBondContact CD2-CE1 3.39Å; H75-F101 AromaticContact CD2-CG 3.79Å; H75-F101 AromaticContact CE1-CD1 3.81Å; H75-F101 AromaticContact CE1-CG 3.57Å; H75-F101 AromaticContact CG-CD1 3.64Å; H75-F101 AromaticContact CG-CE1 3.56Å; H75-F101 AromaticContact CG-CZ 3.87Å; H75-F101 AromaticContact ND1-CD1 4Å; H75-F101 AromaticContact ND1-CG 3.89Å; H75-F101 AromaticContact NE2-CD1 3.29Å; H75-F101 VanDerWaalsContact NE2-CD1 3.29Å; H75-F101 WeakPolarHBondContact NE2-CD1 3.43Å; H75-F101 AromaticContact NE2-CG 3.47Å; H75-F101 WeakPolarHBondContact NE2-CG 3.48Å
76	Y	98.6	Very high	96.3	Very high	31 Å²	31	53.6 Å²	53.6	12%	0.122	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	165.8	-175.2	-50.4	-71.9	0	0	0	111.6	V60 G61 Y65 K74 K145 F146 D299	V60-Y76 HydrophobicContact CG1-CD1 3.61Å; V60-Y76 HydrophobicContact CG1-CD2 4.06Å; V60-Y76 HydrophobicContact CG1-CE1 3.91Å; V60-Y76 HydrophobicContact CG1-CE2 4.33Å; V60-Y76 HydrophobicContact CG1-CG 3.7Å; G61-Y76 WeakPolarHBondContact CA-OH 3.27Å; Y65-Y76 WeakPolarHBondContact CD2-OH 3.48Å; Y65-Y76 WeakPolarHBondContact CE2-OH 3.34Å; K74-Y76 HydrophobicContact CB-CE2 4.24Å; Y76-K145 VanDerWaalsContact O-CA 3.3Å; Y76-K145 WeakPolarHBondContact O-CA 3.32Å; Y76-F146 HydrophobicContact CD2-CD2 4.02Å; Y76-F146 AromaticContact CD2-CE2 3.64Å; Y76-F146 HydrophobicContact CD2-CE2 3.64Å; Y76-F146 HydrophobicContact CD2-CZ 4.05Å; Y76-F146 HydrophobicContact CG-CE1 4.37Å; Y76-F146 HydrophobicContact CG-CE2 4Å; Y76-F146 AromaticContact CG-CZ 3.91Å; Y76-F146 HydrophobicContact CG-CZ 3.91Å; Y76-F146 PolarHBondContact N-O 3.13Å; Y76-F146 PolarHBondContact O-N 3.21Å; Y76-D299 HydrophobicContact CE1-CB 4.04Å; Y76-D299 WeakPolarHBondContact CE1-OD2 3.14Å; Y76-D299 PolarHBondContact OH-OD2 3.23Å
77	D	98.1	Very high	95.9	Very high	12 Å²	12	54.5 Å²	54.5	6%	0.064	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.8	175	-172.3	-16.6	0	0	0	109.6	L79 D80 V81 T144 K145	D77-L79 PolarHBondContact O-N 2.97Å; D77-L79 WeakPolarHBondContact OD1-CB 3.48Å; D77-L79 PolarHBondContact OD1-N 2.94Å; D77-D80 HydrophobicContact CB-CB 4.36Å; D77-D80 WeakPolarHBondContact CB-OD2 3.24Å; D77-D80 WeakPolarHBondContact O-CB 3.38Å; D77-D80 PolarHBondContact O-N 3.11Å; D77-V81 PolarHBondContact O-N 2.85Å; D77-T144 VanDerWaalsContact OD1-CB 3.27Å; D77-T144 WeakPolarHBondContact OD1-CB 3.28Å; D77-T144 PolarHBondContact OD1-OG1 2.81Å; D77-K145 HydrophobicContact CB-CD 3.74Å; D77-K145 VanDerWaalsContact CG-NZ 3.33Å; D77-K145 IonicContact OD2-NZ 3.93Å; D77-K145 PolarHBondContact OD2-NZ 3.43Å
78	L	97.8	Very high	95.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.8	-31.5	174.9	-67.6	166.3	0	0	0	112	D80 V81 F82 V92 M109 I111 I113 T144 F146 M152	L78-D80 VanDerWaalsContact C-N 3.32Å; L78-D80 PolarHBondContact O-N 3.27Å; L78-V81 WeakPolarHBondContact O-CA 3.47Å; L78-V81 VanDerWaalsContact O-CB 3.3Å; L78-V81 WeakPolarHBondContact O-CB 3.35Å; L78-V81 PolarHBondContact O-N 2.81Å; L78-F82 VanDerWaalsContact O-CD2 3.28Å; L78-F82 WeakPolarHBondContact O-CD2 3.18Å; L78-F82 PolarHBondContact O-N 2.81Å; L78-V92 HydrophobicContact CD2-CG1 4.46Å; L78-M109 HydrophobicContact CD1-CE 3.78Å; L78-I111 HydrophobicContact CD1-CG2 3.93Å; L78-I111 HydrophobicContact CD2-CD1 4.17Å; L78-I111 HydrophobicContact CD2-CG2 3.89Å; L78-I113 HydrophobicContact CB-CD1 4.46Å; L78-I113 HydrophobicContact CD1-CD1 4.38Å; L78-I113 HydrophobicContact CD1-CG2 4.05Å; L78-T144 WeakPolarHBondContact CG-O 3.45Å; L78-T144 PolarHBondContact N-O 2.66Å; L78-F146 HydrophobicContact CD2-CD1 4.12Å; L78-F146 HydrophobicContact CD2-CE1 3.96Å; L78-F146 HydrophobicContact CG-CD1 4.01Å; L78-F146 HydrophobicContact CG-CE1 4.17Å; L78-M152 HydrophobicContact CD2-CE 4.1Å; L78-M152 HydrophobicContact CD2-SD 3.68Å
79	L	95.8	Very high	95.4	Very high	33 Å²	33	54.4 Å²	54.4	17%	0.173	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-31.1	174.9	-67.8	179.5	0	0	0	113.2	D77 V81 R83 V120 T144	D77-L79 PolarHBondContact O-N 2.97Å; D77-L79 WeakPolarHBondContact OD1-CB 3.48Å; D77-L79 PolarHBondContact OD1-N 2.94Å; L79-V81 VanDerWaalsContact C-N 3.28Å; L79-R83 WeakPolarHBondContact O-CG 3.41Å; L79-R83 PolarHBondContact O-N 3.09Å; L79-R83 VanDerWaalsContact O-N 3.13Å; L79-V120 HydrophobicContact CD1-CG2 4.45Å; L79-V120 HydrophobicContact CD2-CG2 3.63Å; L79-V120 HydrophobicContact CG-CG2 4.38Å; L79-T144 HydrophobicContact CD1-CG2 4.48Å; L79-T144 HydrophobicContact CG-CG2 4.28Å
80	D	96	Very high	95.3	Very high	76 Å²	76	50.6 Å²	50.6	41%	0.406	28%	0.284	S	S	.	.	H	α-helix	trans	-68.5	-31.3	170.8	-76.6	-47	0	0	0	111.3	D77 L78 R83 S84	D77-D80 HydrophobicContact CB-CB 4.36Å; D77-D80 WeakPolarHBondContact CB-OD2 3.24Å; D77-D80 WeakPolarHBondContact O-CB 3.38Å; D77-D80 PolarHBondContact O-N 3.11Å; L78-D80 VanDerWaalsContact C-N 3.32Å; L78-D80 PolarHBondContact O-N 3.27Å; D80-R83 PolarHBondContact O-N 3.46Å; D80-R83 IonicContact OD1-CZ 3.16Å; D80-R83 VanDerWaalsContact OD1-CZ 3.25Å; D80-R83 IonicContact OD1-NE 2.66Å; D80-R83 PolarHBondContact OD1-NE 3.13Å; D80-R83 VanDerWaalsContact OD1-NE 3.13Å; D80-R83 IonicContact OD1-NH2 2.76Å; D80-R83 PolarHBondContact OD1-NH2 3.23Å; D80-R83 IonicContact OD2-NH2 2.81Å; D80-S84 VanDerWaalsContact O-CB 3.23Å; D80-S84 WeakPolarHBondContact O-CB 3.46Å; D80-S84 PolarHBondContact O-N 3.14Å; D80-S84 PolarHBondContact O-OG 3.42Å
81	V	96.6	Very high	95.3	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-67	-45.4	174.7	-170.8	0	0	0	0	110.8	C58 V60 D77 L78 L79 R83 S84 A85 F146 M152 M154 I298	C58-V81 HydrophobicContact CB-CG1 3.69Å; V60-V81 HydrophobicContact CG2-CG1 4.49Å; V60-V81 HydrophobicContact CG2-CG2 3.9Å; D77-V81 PolarHBondContact O-N 2.85Å; L78-V81 WeakPolarHBondContact O-CA 3.47Å; L78-V81 VanDerWaalsContact O-CB 3.3Å; L78-V81 WeakPolarHBondContact O-CB 3.35Å; L78-V81 PolarHBondContact O-N 2.81Å; L79-V81 VanDerWaalsContact C-N 3.28Å; V81-R83 PolarHBondContact O-N 2.84Å; V81-S84 PolarHBondContact O-N 2.95Å; V81-A85 WeakPolarHBondContact O-CB 3.4Å; V81-A85 PolarHBondContact O-N 2.85Å; V81-F146 HydrophobicContact CG2-CE1 4.33Å; V81-F146 HydrophobicContact CG2-CZ 4.44Å; V81-M152 HydrophobicContact CG1-SD 4.22Å; V81-M154 HydrophobicContact CB-CE 4.39Å; V81-M154 HydrophobicContact CG1-CE 3.87Å; V81-I298 HydrophobicContact CG1-CD1 4.5Å; V81-I298 HydrophobicContact CG2-CD1 4.5Å
82	F	94.7	Very high	95.3	Very high	7 Å²	7	45 Å²	45	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-55.4	-49.2	173	-83.5	-83.1	0	0	0	111.8	L78 S84 A85 G86 V87 V92 I113 M154	L78-F82 VanDerWaalsContact O-CD2 3.28Å; L78-F82 WeakPolarHBondContact O-CD2 3.18Å; L78-F82 PolarHBondContact O-N 2.81Å; F82-S84 PolarHBondContact O-N 3.02Å; F82-A85 PolarHBondContact O-N 2.84Å; F82-G86 PolarHBondContact O-N 3.49Å; F82-G86 VanDerWaalsContact O-N 3.17Å; F82-V87 HydrophobicContact CD1-CB 4.22Å; F82-V87 HydrophobicContact CD1-CG1 4.04Å; F82-V87 HydrophobicContact CE1-CG1 4.34Å; F82-V87 PolarHBondContact O-N 3.36Å; F82-V92 HydrophobicContact CD2-CG2 4.32Å; F82-V92 HydrophobicContact CE1-CG2 4.09Å; F82-V92 HydrophobicContact CE2-CB 4.35Å; F82-V92 HydrophobicContact CE2-CG2 3.63Å; F82-V92 HydrophobicContact CZ-CB 4.28Å; F82-V92 HydrophobicContact CZ-CG2 3.51Å; F82-I113 HydrophobicContact CE2-CG2 4.1Å; F82-M154 HydrophobicContact CB-CE 4.34Å; F82-M154 HydrophobicContact CD1-CE 3.87Å; F82-M154 HydrophobicContact CD1-SD 4.25Å; F82-M154 HydrophobicContact CD2-CE 4.24Å; F82-M154 HydrophobicContact CE1-CE 4.23Å; F82-M154 HydrophobicContact CG-CE 3.88Å
83	R	94.5	Very high	95.4	Very high	151 Å²	151	39.9 Å²	39.9	57%	0.57	24%	0.236	S	C	*	.	H	α-helix	trans	-59.4	-45.9	176.6	-74.2	-173.5	-75.5	-88.3	9.8	112.2	L79 D80 V81 A85 G86	L79-R83 WeakPolarHBondContact O-CG 3.41Å; L79-R83 PolarHBondContact O-N 3.09Å; L79-R83 VanDerWaalsContact O-N 3.13Å; D80-R83 PolarHBondContact O-N 3.46Å; D80-R83 IonicContact OD1-CZ 3.16Å; D80-R83 VanDerWaalsContact OD1-CZ 3.25Å; D80-R83 IonicContact OD1-NE 2.66Å; D80-R83 PolarHBondContact OD1-NE 3.13Å; D80-R83 VanDerWaalsContact OD1-NE 3.13Å; D80-R83 IonicContact OD1-NH2 2.76Å; D80-R83 PolarHBondContact OD1-NH2 3.23Å; D80-R83 IonicContact OD2-NH2 2.81Å; V81-R83 PolarHBondContact O-N 2.84Å; R83-A85 VanDerWaalsContact C-N 3.29Å; R83-A85 PolarHBondContact O-N 3.26Å; R83-G86 PolarHBondContact O-N 3.11Å
84	S	94.9	Very high	95.4	Very high	42 Å²	42	34.2 Å²	34.2	29%	0.294	21%	0.205	S	C	.	.	H	α-helix	trans	-65.5	-31.9	-178.9	-62.4	0	0	0	0	112.8	D80 V81 F82 G86	D80-S84 VanDerWaalsContact O-CB 3.23Å; D80-S84 WeakPolarHBondContact O-CB 3.46Å; D80-S84 PolarHBondContact O-N 3.14Å; D80-S84 PolarHBondContact O-OG 3.42Å; V81-S84 PolarHBondContact O-N 2.95Å; F82-S84 PolarHBondContact O-N 3.02Å; S84-G86 VanDerWaalsContact C-N 3.31Å
85	A	93.3	Very high	95.4	Very high	26 Å²	26	32.3 Å²	32.3	22%	0.215	20%	0.197	C	C	.	.	H	α-helix	trans	-80.8	-9	174.4	0	0	0	0	0	113.4	V81 F82 R83 V87 M154 L296	V81-A85 WeakPolarHBondContact O-CB 3.4Å; V81-A85 PolarHBondContact O-N 2.85Å; F82-A85 PolarHBondContact O-N 2.84Å; R83-A85 VanDerWaalsContact C-N 3.29Å; R83-A85 PolarHBondContact O-N 3.26Å; A85-V87 VanDerWaalsContact C-N 3.28Å; A85-V87 HydrophobicContact CB-CG2 3.98Å; A85-V87 PolarHBondContact O-N 2.92Å; A85-M154 HydrophobicContact CB-CE 4.15Å; A85-M154 HydrophobicContact CB-SD 3.39Å; A85-M154 WeakPolarHBondContact CB-SD 3.46Å; A85-L296 HydrophobicContact CB-CD2 3.9Å
86	G	90.8	Very high	95.4	Very high	68 Å²	68	28.5 Å²	28.5	70%	0.701	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	21.8	-174.9	0	0	0	0	0	113.8	F82 R83 S84	F82-G86 PolarHBondContact O-N 3.49Å; F82-G86 VanDerWaalsContact O-N 3.17Å; R83-G86 PolarHBondContact O-N 3.11Å; S84-G86 VanDerWaalsContact C-N 3.31Å
87	V	88.9	Confident	95.4	Very high	33 Å²	33	27.2 Å²	27.2	20%	0.2	18%	0.175	C	C	.	.			trans	-98.6	108.2	-176.2	178	0	0	0	0	109.9	F82 A85 A89 M154	F82-V87 HydrophobicContact CD1-CB 4.22Å; F82-V87 HydrophobicContact CD1-CG1 4.04Å; F82-V87 HydrophobicContact CE1-CG1 4.34Å; F82-V87 PolarHBondContact O-N 3.36Å; A85-V87 VanDerWaalsContact C-N 3.28Å; A85-V87 HydrophobicContact CB-CG2 3.98Å; A85-V87 PolarHBondContact O-N 2.92Å; V87-A89 WeakPolarHBondContact CG1-O 3.49Å; V87-M154 HydrophobicContact CB-SD 3.79Å; V87-M154 HydrophobicContact CG1-SD 4.3Å; V87-M154 HydrophobicContact CG2-CG 4.36Å; V87-M154 HydrophobicContact CG2-SD 3.57Å; V87-M154 VanDerWaalsContact CG2-SD 3.57Å
88	A	87.5	Confident	95.5	Very high	63 Å²	63	26.6 Å²	26.6	52%	0.521	17%	0.172	S	C	.	.	S	Bend	trans	-79.3	-31	178	0	0	0	0	0	113.1	N117	A88-N117 PolarHBondContact O-N 2.97Å
89	A	93.1	Very high	95.5	Very high	43 Å²	43	26.6 Å²	26.6	36%	0.355	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	125.9	177.5	0	0	0	0	0	110.1	V87 S115 E116	V87-A89 WeakPolarHBondContact CG1-O 3.49Å; A89-S115 CarbonylContact C-O 3.6Å; A89-S115 VanDerWaalsContact CA-O 3.27Å; A89-S115 WeakPolarHBondContact CA-O 3.49Å; A89-E116 HydrophobicContact CB-CB 4.43Å; A89-E116 HydrophobicContact CB-CG 4.11Å
90	G	95.4	Very high	95.6	Very high	8 Å²	8	26.1 Å²	26.1	8%	0.082	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-162.9	-178.9	0	0	0	0	0	113.1	S114 S115 C155	G90-S114 CarbonylContact O-C 3.5Å; G90-S114 VanDerWaalsContact O-CA 3.3Å; G90-S114 WeakPolarHBondContact O-CA 3.26Å; G90-S115 PolarHBondContact N-O 2.84Å; G90-S115 PolarHBondContact O-N 2.87Å; G90-C155 CarbonylContact C-O 3.56Å; G90-C155 WeakPolarHBondContact CA-O 3.35Å
91	A	96.8	Very high	95.7	Very high	2 Å²	2	25.9 Å²	25.9	2%	0.017	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.7	-179.3	0	0	0	0	0	111.9	L48 I113 M154 C155	L48-A91 HydrophobicContact CB-CB 3.43Å; L48-A91 VanDerWaalsContact CB-CB 3.43Å; L48-A91 HydrophobicContact CD1-CB 3.64Å; L48-A91 HydrophobicContact CG-CB 4.08Å; A91-I113 CarbonylContact C-O 3.59Å; A91-I113 VanDerWaalsContact CA-O 3.23Å; A91-I113 WeakPolarHBondContact CA-O 3.32Å; A91-I113 WeakPolarHBondContact CB-O 3.29Å; A91-M154 CarbonylContact O-C 3.52Å; A91-M154 VanDerWaalsContact O-CA 3.26Å; A91-M154 WeakPolarHBondContact O-CA 3.41Å; A91-C155 PolarHBondContact N-O 3.04Å; A91-C155 PolarHBondContact O-N 3.49Å
92	V	97.4	Very high	95.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.1	178.7	177	0	0	0	0	108.4	L78 F82 I111 I113 M152 F153 M154	L78-V92 HydrophobicContact CD2-CG1 4.46Å; F82-V92 HydrophobicContact CD2-CG2 4.32Å; F82-V92 HydrophobicContact CE1-CG2 4.09Å; F82-V92 HydrophobicContact CE2-CB 4.35Å; F82-V92 HydrophobicContact CE2-CG2 3.63Å; F82-V92 HydrophobicContact CZ-CB 4.28Å; F82-V92 HydrophobicContact CZ-CG2 3.51Å; V92-I111 HydrophobicContact CB-CG2 4.42Å; V92-I111 HydrophobicContact CG1-CG2 3.72Å; V92-I113 HydrophobicContact CB-CG2 3.78Å; V92-I113 PolarHBondContact N-O 3.04Å; V92-I113 PolarHBondContact O-N 2.65Å; V92-M152 HydrophobicContact CG1-CB 3.59Å; V92-M152 HydrophobicContact CG1-CG 3.49Å; V92-M152 VanDerWaalsContact CG1-CG 3.49Å; V92-M152 HydrophobicContact CG1-SD 3.34Å; V92-M152 WeakPolarHBondContact CG1-SD 3.46Å; V92-F153 WeakPolarHBondContact CA-O 3.39Å; V92-M154 HydrophobicContact CG2-CB 3.95Å; V92-M154 HydrophobicContact CG2-CE 3.28Å; V92-M154 HydrophobicContact CG2-CG 3.83Å; V92-M154 HydrophobicContact CG2-SD 4.38Å
93	I	98.6	Very high	95.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.6	174.5	62.8	174.2	0	0	0	110.3	L48 L51 I111 M152 F153 V243	L48-I93 HydrophobicContact CD1-CG2 4.5Å; L48-I93 HydrophobicContact CD2-CG2 3.82Å; L51-I93 HydrophobicContact CD2-CD1 3.79Å; I93-I111 CarbonylContact C-O 3.56Å; I93-I111 VanDerWaalsContact CA-O 3.24Å; I93-I111 WeakPolarHBondContact CA-O 3.35Å; I93-M152 CarbonylContact O-C 3.59Å; I93-M152 WeakPolarHBondContact O-CA 3.34Å; I93-M152 WeakPolarHBondContact O-CB 3.47Å; I93-F153 HydrophobicContact CG1-CB 4.27Å; I93-F153 PolarHBondContact N-O 3.08Å; I93-F153 PolarHBondContact O-N 2.95Å; I93-V243 HydrophobicContact CB-CB 3.97Å; I93-V243 HydrophobicContact CB-CG1 4.2Å; I93-V243 HydrophobicContact CB-CG2 4.35Å; I93-V243 HydrophobicContact CD1-CB 4.3Å; I93-V243 HydrophobicContact CD1-CG1 4.16Å; I93-V243 HydrophobicContact CG1-CB 4.39Å
94	G	98.6	Very high	95.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155	-144.8	176	0	0	0	0	0	114.3	I111	G94-I111 PolarHBondContact N-O 3.48Å; G94-I111 PolarHBondContact O-N 3.49Å
95	A	98.7	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.8	-168.8	0	0	0	0	0	111.7	I111 G150 Q151 H260 H262	A95-I111 WeakPolarHBondContact O-CD1 2.97Å; A95-G150 CarbonylContact O-C 3.56Å; A95-G150 WeakPolarHBondContact O-CA 3.18Å; A95-Q151 PolarHBondContact N-O 2.76Å; A95-Q151 PolarHBondContact O-N 2.86Å; A95-Q151 VanDerWaalsContact O-O 3.12Å; A95-H260 WeakPolarHBondContact CB-CD2 3.41Å; A95-H260 VanDerWaalsContact CB-NE2 3.3Å; A95-H260 WeakPolarHBondContact CB-NE2 3.45Å; A95-H262 HydrophobicContact CB-CB 3.98Å; A95-H262 WeakPolarHBondContact CB-CD2 3.43Å
96	G	98.5	Very high	95.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	-178.6	172.1	0	0	0	0	0	111.8	M109 L149 H262	G96-M109 PolarHBondContact N-O 2.94Å; G96-M109 WeakPolarHBondContact O-CA 3.28Å; G96-M109 WeakPolarHBondContact O-CB 3.39Å; G96-M109 PolarHBondContact O-N 2.78Å; G96-L149 VanDerWaalsContact CA-O 3.27Å; G96-L149 WeakPolarHBondContact CA-O 3.39Å; G96-H262 PolarHBondContact O-CE1 3.06Å; G96-H262 VanDerWaalsContact O-CE1 3.26Å
97	A	98.5	Very high	96.3	Very high	3 Å²	3	24.1 Å²	24.1	3%	0.025	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.8	169.2	0	0	0	0	0	110.7	S107 F146 A147 L149	A97-S107 WeakPolarHBondContact CA-O 3.48Å; A97-F146 WeakPolarHBondContact O-CB 3.45Å; A97-A147 WeakPolarHBondContact CB-O 3.18Å; A97-A147 PolarHBondContact O-N 3.09Å; A97-L149 PolarHBondContact N-O 2.78Å
98	G	98.4	Very high	96.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	16%	0.156	C	C	.	.			trans	-66.1	161.5	-176.6	0	0	0	0	0	113.1	F100 S107	G98-F100 VanDerWaalsContact C-N 3.29Å; G98-F100 PolarHBondContact O-N 2.89Å; G98-S107 WeakPolarHBondContact CA-OG 3.46Å; G98-S107 PolarHBondContact N-O 2.85Å
99	P	98.2	Very high	97.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.131	C	C	.	.			trans	-78.7	73.8	-173.4	33.4	-35.6	0	0	0	111.6	F101 L102 T103 F126 K145	P99-F101 HydrophobicContact CB-CD1 4.19Å; P99-F101 HydrophobicContact CB-CE1 3.67Å; P99-F101 HydrophobicContact CB-CZ 4.02Å; P99-F101 PolarHBondContact O-N 2.95Å; P99-L102 HydrophobicContact CB-CB 4.4Å; P99-L102 HydrophobicContact CB-CD1 4.21Å; P99-L102 HydrophobicContact CB-CG 4.37Å; P99-L102 PolarHBondContact O-N 3.48Å; P99-T103 HydrophobicContact CG-CG2 4.27Å; P99-T103 PolarHBondContact O-N 3.1Å; P99-T103 PolarHBondContact O-OG1 2.81Å; P99-F126 VanDerWaalsContact CD-CE1 3.46Å; P99-F126 VanDerWaalsContact CD-CZ 3.4Å; P99-F126 HydrophobicContact CG-CE1 4.3Å; P99-F126 HydrophobicContact CG-CE2 4.2Å; P99-F126 HydrophobicContact CG-CZ 3.75Å; P99-K145 HydrophobicContact CB-CB 3.99Å; P99-K145 WeakPolarHBondContact CG-O 3.37Å
100	F	97.8	Very high	97.5	Very high	22 Å²	22	18.3 Å²	18.3	10%	0.096	12%	0.115	C	C	.	.	H	α-helix	trans	-54.1	-27.1	-179.7	62.7	-98.7	0	0	0	113.7	K72 H75 G98 L102 T103 G104 S105 A147 L148 F216	K72-F100 HydrophobicContact CB-CE2 3.93Å; K72-F100 HydrophobicContact CB-CZ 3.88Å; K72-F100 HydrophobicContact CD-CE2 4.48Å; K72-F100 HydrophobicContact CG-CE2 4.22Å; K72-F100 HydrophobicContact CG-CZ 4.15Å; H75-F100 AromaticContact NE2-CE2 3.96Å; H75-F100 AromaticContact NE2-CZ 3.79Å; G98-F100 VanDerWaalsContact C-N 3.29Å; G98-F100 PolarHBondContact O-N 2.89Å; F100-L102 PolarHBondContact O-N 2.9Å; F100-T103 WeakPolarHBondContact CA-OG1 3.13Å; F100-G104 VanDerWaalsContact O-CA 3.28Å; F100-G104 WeakPolarHBondContact O-CA 3.31Å; F100-G104 PolarHBondContact O-N 2.83Å; F100-S105 WeakPolarHBondContact CA-O 3.48Å; F100-S105 WeakPolarHBondContact CB-O 3.39Å; F100-A147 HydrophobicContact CD1-CB 3.79Å; F100-A147 HydrophobicContact CE1-CB 3.34Å; F100-A147 HydrophobicContact CZ-CB 4.13Å; F100-L148 HydrophobicContact CE1-CD1 4.24Å; F100-L148 HydrophobicContact CE1-CD2 4.02Å; F100-L148 HydrophobicContact CE1-CG 3.96Å; F100-L148 HydrophobicContact CZ-CD2 4.4Å; F100-F216 HydrophobicContact CB-CE2 4.1Å; F100-F216 HydrophobicContact CB-CZ 4.47Å; F100-F216 AromaticContact CD1-CE2 3.76Å; F100-F216 HydrophobicContact CD1-CE2 3.76Å; F100-F216 AromaticContact CD1-CZ 3.47Å; F100-F216 HydrophobicContact CD1-CZ 3.47Å; F100-F216 VanDerWaalsContact CD1-CZ 3.47Å; F100-F216 AromaticContact CD2-CE2 3.89Å; F100-F216 HydrophobicContact CD2-CE2 3.89Å; F100-F216 HydrophobicContact CD2-CZ 4.4Å; F100-F216 HydrophobicContact CE1-CE2 4.16Å; F100-F216 AromaticContact CE1-CZ 3.71Å; F100-F216 HydrophobicContact CE1-CZ 3.71Å; F100-F216 HydrophobicContact CE2-CE2 4.33Å; F100-F216 AromaticContact CG-CE2 3.62Å; F100-F216 HydrophobicContact CG-CE2 3.62Å; F100-F216 AromaticContact CG-CZ 3.86Å; F100-F216 HydrophobicContact CG-CZ 3.86Å; F100-F216 HydrophobicContact CZ-CE2 4.46Å; F100-F216 HydrophobicContact CZ-CZ 4.35Å
101	F	97.5	Very high	97.7	Very high	72 Å²	72	17.9 Å²	17.9	32%	0.316	11%	0.111	S	C	.	.	H	α-helix	trans	-71.5	-13.8	177.3	64.3	-86.2	0	0	0	113.3	H75 P99 K145 A147	H75-F101 HydrophobicContact CB-CD1 4.4Å; H75-F101 HydrophobicContact CB-CE1 3.81Å; H75-F101 HydrophobicContact CB-CE2 4.49Å; H75-F101 HydrophobicContact CB-CZ 3.85Å; H75-F101 AromaticContact CD2-CD1 3.18Å; H75-F101 WeakPolarHBondContact CD2-CD1 3.46Å; H75-F101 AromaticContact CD2-CE1 3.43Å; H75-F101 VanDerWaalsContact CD2-CE1 3.43Å; H75-F101 WeakPolarHBondContact CD2-CE1 3.39Å; H75-F101 AromaticContact CD2-CG 3.79Å; H75-F101 AromaticContact CE1-CD1 3.81Å; H75-F101 AromaticContact CE1-CG 3.57Å; H75-F101 AromaticContact CG-CD1 3.64Å; H75-F101 AromaticContact CG-CE1 3.56Å; H75-F101 AromaticContact CG-CZ 3.87Å; H75-F101 AromaticContact ND1-CD1 4Å; H75-F101 AromaticContact ND1-CG 3.89Å; H75-F101 AromaticContact NE2-CD1 3.29Å; H75-F101 VanDerWaalsContact NE2-CD1 3.29Å; H75-F101 WeakPolarHBondContact NE2-CD1 3.43Å; H75-F101 AromaticContact NE2-CG 3.47Å; H75-F101 WeakPolarHBondContact NE2-CG 3.48Å; P99-F101 HydrophobicContact CB-CD1 4.19Å; P99-F101 HydrophobicContact CB-CE1 3.67Å; P99-F101 HydrophobicContact CB-CZ 4.02Å; P99-F101 PolarHBondContact O-N 2.95Å; F101-K145 HydrophobicContact CZ-CB 3.79Å; F101-K145 HydrophobicContact CZ-CG 4.31Å; F101-A147 HydrophobicContact CD1-CB 4.28Å; F101-A147 HydrophobicContact CE1-CB 4.16Å
102	L	97.6	Very high	97.8	Very high	95 Å²	95	18 Å²	18	50%	0.497	11%	0.111	S	C	.	.	H	α-helix	trans	-106.5	-41.4	172.3	-60.6	179.8	0	0	0	111.8	P99 F100 K145	P99-L102 HydrophobicContact CB-CB 4.4Å; P99-L102 HydrophobicContact CB-CD1 4.21Å; P99-L102 HydrophobicContact CB-CG 4.37Å; P99-L102 PolarHBondContact O-N 3.48Å; F100-L102 PolarHBondContact O-N 2.9Å; L102-K145 HydrophobicContact CD1-CB 4.03Å; L102-K145 HydrophobicContact CD1-CG 3.89Å
103	T	95.5	Very high	97.8	Very high	59 Å²	59	18 Å²	18	36%	0.362	11%	0.111	S	C	.	.	H	α-helix	trans	-84.4	-16.3	-175.3	61.1	0	0	0	0	113.3	P99 F100 S105 F126	P99-T103 HydrophobicContact CG-CG2 4.27Å; P99-T103 PolarHBondContact O-N 3.1Å; P99-T103 PolarHBondContact O-OG1 2.81Å; F100-T103 WeakPolarHBondContact CA-OG1 3.13Å; T103-S105 PolarHBondContact O-N 3.32Å; T103-S105 PolarHBondContact OG1-N 3.08Å; T103-S105 PolarHBondContact OG1-O 2.87Å; T103-F126 HydrophobicContact CG2-CD2 4.21Å; T103-F126 HydrophobicContact CG2-CE2 4.13Å
104	G	94.5	Very high	97.7	Very high	58 Å²	58	18.9 Å²	18.9	60%	0.598	12%	0.117	S	C	*	.	S	Bend	trans	76.7	-4.2	-173.4	0	0	0	0	0	114.5	F100	F100-G104 VanDerWaalsContact O-CA 3.28Å; F100-G104 WeakPolarHBondContact O-CA 3.31Å; F100-G104 PolarHBondContact O-N 2.83Å
105	S	94.3	Very high	97.5	Very high	44 Å²	44	19.2 Å²	19.2	31%	0.308	12%	0.119	S	C	.	.	S	Bend	trans	-136	140.2	-176.7	-73.9	0	0	0	0	113	F100 T103 E215	F100-S105 WeakPolarHBondContact CA-O 3.48Å; F100-S105 WeakPolarHBondContact CB-O 3.39Å; T103-S105 PolarHBondContact O-N 3.32Å; T103-S105 PolarHBondContact OG1-N 3.08Å; T103-S105 PolarHBondContact OG1-O 2.87Å; S105-E215 WeakPolarHBondContact CA-OE1 3.48Å; S105-E215 WeakPolarHBondContact CB-OE1 3.29Å; S105-E215 PolarHBondContact OG-OE1 2.62Å
106	N	97.2	Very high	97.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	15%	0.149	C	C	.	.			trans	-65.8	141.8	171.3	-171.8	30.7	0	0	0	111	L213 P214 F216 W230	N106-L213 WeakPolarHBondContact ND2-CB 3.47Å; N106-P214 WeakPolarHBondContact CB-O 3.41Å; N106-P214 PolarHBondContact ND2-O 3.4Å; N106-F216 HydrophobicContact CB-CD1 4.45Å; N106-F216 HydrophobicContact CB-CD2 4.14Å; N106-F216 HydrophobicContact CB-CE1 4.23Å; N106-F216 HydrophobicContact CB-CE2 3.92Å; N106-F216 HydrophobicContact CB-CG 4.43Å; N106-F216 HydrophobicContact CB-CZ 3.97Å; N106-F216 WeakPolarHBondContact OD1-CZ 3.22Å; N106-W230 WeakPolarHBondContact ND2-CZ2 3.35Å
107	S	98.3	Very high	96.8	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.021	18%	0.181	C	C	.	.			trans	-159	151.4	-174.7	47.8	0	0	0	0	111.8	A97 G98 G127	A97-S107 WeakPolarHBondContact CA-O 3.48Å; G98-S107 WeakPolarHBondContact CA-OG 3.46Å; G98-S107 PolarHBondContact N-O 2.85Å; S107-G127 WeakPolarHBondContact CA-O 3.15Å
108	E	98.5	Very high	96.3	Very high	15 Å²	15	33.6 Å²	33.6	7%	0.07	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	147.3	159.3	-62.9	-59.6	174	0	0	109.3	F126 G127 H211 L213 H262 H273	E108-F126 CarbonylContact O-C 3.49Å; E108-F126 VanDerWaalsContact O-CA 3.23Å; E108-F126 WeakPolarHBondContact O-CA 3.5Å; E108-G127 PolarHBondContact N-O 3.09Å; E108-G127 PolarHBondContact O-N 3.05Å; E108-H211 IonicContact OE1-CD2 2.94Å; E108-H211 IonicContact OE1-CE1 3.21Å; E108-H211 IonicContact OE1-NE2 2.97Å; E108-H211 PolarHBondContact OE1-NE2 3.45Å; E108-L213 HydrophobicContact CG-CD1 4.4Å; E108-L213 HydrophobicContact CG-CG 3.93Å; E108-L213 VanDerWaalsContact OE1-CD2 3.28Å; E108-L213 WeakPolarHBondContact OE1-CD2 3.46Å; E108-L213 VanDerWaalsContact OE1-CG 3.27Å; E108-L213 WeakPolarHBondContact OE1-CG 3.29Å; E108-H262 IonicContact OE2-CE1 3.56Å; E108-H262 PolarHBondContact OE2-CE1 2.92Å; E108-H262 IonicContact OE2-ND1 3.04Å; E108-H262 IonicContact OE2-NE2 3.61Å; E108-H262 PolarHBondContact OE2-NE2 2.86Å; E108-H273 HydrophobicContact CG-CB 4.14Å
109	M	98.7	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.1	174.3	-179.2	178.7	-173.3	0	0	110.2	L78 G96 I111 L125 F126 F146 H262	L78-M109 HydrophobicContact CD1-CE 3.78Å; G96-M109 PolarHBondContact N-O 2.94Å; G96-M109 WeakPolarHBondContact O-CA 3.28Å; G96-M109 WeakPolarHBondContact O-CB 3.39Å; G96-M109 PolarHBondContact O-N 2.78Å; M109-I111 HydrophobicContact CE-CG1 4.16Å; M109-I111 HydrophobicContact CG-CG1 3.98Å; M109-I111 HydrophobicContact SD-CG1 3.98Å; M109-L125 CarbonylContact C-O 3.6Å; M109-L125 WeakPolarHBondContact CA-O 3.4Å; M109-F126 HydrophobicContact CB-CD1 4.01Å; M109-F126 HydrophobicContact CB-CE1 4.26Å; M109-F126 HydrophobicContact CE-CE1 3.93Å; M109-F126 HydrophobicContact CG-CD1 3.84Å; M109-F126 HydrophobicContact CG-CE1 3.71Å; M109-F126 HydrophobicContact SD-CD1 4.47Å; M109-F126 HydrophobicContact SD-CE1 3.79Å; M109-F146 HydrophobicContact SD-CB 3.71Å; M109-H262 PolarHBondContact O-ND1 2.98Å
110	V	98.8	Very high	95.9	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.8	160.3	-171.3	0	0	0	0	106.7	S124 L125 V243 H262 F264 C271	V110-S124 WeakPolarHBondContact O-CA 3.24Å; V110-S124 WeakPolarHBondContact O-CB 3.45Å; V110-L125 HydrophobicContact CB-CB 4.24Å; V110-L125 HydrophobicContact CG2-CB 4.33Å; V110-L125 PolarHBondContact N-O 3.47Å; V110-L125 PolarHBondContact O-N 3.45Å; V110-V243 HydrophobicContact CG1-CG2 3.65Å; V110-H262 HydrophobicContact CG2-CB 4.05Å; V110-F264 HydrophobicContact CG1-CD1 3.82Å; V110-F264 HydrophobicContact CG1-CE1 4.12Å; V110-F264 HydrophobicContact CG2-CD1 4.43Å; V110-C271 HydrophobicContact CG2-CB 3.79Å
111	I	98.8	Very high	95.9	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.4	177.3	-59.4	168.2	0	0	0	107.8	L78 V92 I93 G94 A95 M109 I113 M152	L78-I111 HydrophobicContact CD1-CG2 3.93Å; L78-I111 HydrophobicContact CD2-CD1 4.17Å; L78-I111 HydrophobicContact CD2-CG2 3.89Å; V92-I111 HydrophobicContact CB-CG2 4.42Å; V92-I111 HydrophobicContact CG1-CG2 3.72Å; I93-I111 CarbonylContact C-O 3.56Å; I93-I111 VanDerWaalsContact CA-O 3.24Å; I93-I111 WeakPolarHBondContact CA-O 3.35Å; G94-I111 PolarHBondContact N-O 3.48Å; G94-I111 PolarHBondContact O-N 3.49Å; A95-I111 WeakPolarHBondContact O-CD1 2.97Å; M109-I111 HydrophobicContact CE-CG1 4.16Å; M109-I111 HydrophobicContact CG-CG1 3.98Å; M109-I111 HydrophobicContact SD-CG1 3.98Å; I111-I113 HydrophobicContact CG2-CG2 4.26Å; I111-M152 HydrophobicContact CD1-CB 4.34Å; I111-M152 HydrophobicContact CD1-CE 3.65Å; I111-M152 HydrophobicContact CD1-SD 4.21Å
112	N	98.5	Very high	95.9	Very high	3 Å²	3	46 Å²	46	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	89	177.1	174.2	28.6	0	0	0	108.7	L46 T47 G123 S124	L46-N112 WeakPolarHBondContact CA-OD1 3.41Å; T47-N112 WeakPolarHBondContact CG2-O 3.26Å; T47-N112 PolarHBondContact N-OD1 3.35Å; T47-N112 PolarHBondContact OG1-OD1 2.69Å; N112-G123 PolarHBondContact ND2-O 2.9Å; N112-G123 CarbonylContact O-C 3.59Å; N112-G123 WeakPolarHBondContact O-CA 3.34Å; N112-G123 PolarHBondContact O-N 2.91Å; N112-S124 PolarHBondContact N-OG 2.91Å; N112-S124 PolarHBondContact O-N 2.86Å; N112-S124 PolarHBondContact O-OG 3.16Å
113	I	97.8	Very high	95.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.9	-173.5	-172	172.5	0	0	0	110.3	T47 L78 F82 A91 V92 I111 V120 K121 T144	T47-I113 PolarHBondContact OG1-N 3.21Å; L78-I113 HydrophobicContact CB-CD1 4.46Å; L78-I113 HydrophobicContact CD1-CD1 4.38Å; L78-I113 HydrophobicContact CD1-CG2 4.05Å; F82-I113 HydrophobicContact CE2-CG2 4.1Å; A91-I113 CarbonylContact C-O 3.59Å; A91-I113 VanDerWaalsContact CA-O 3.23Å; A91-I113 WeakPolarHBondContact CA-O 3.32Å; A91-I113 WeakPolarHBondContact CB-O 3.29Å; V92-I113 HydrophobicContact CB-CG2 3.78Å; V92-I113 PolarHBondContact N-O 3.04Å; V92-I113 PolarHBondContact O-N 2.65Å; I111-I113 HydrophobicContact CG2-CG2 4.26Å; I113-V120 HydrophobicContact CD1-CB 4.41Å; I113-V120 HydrophobicContact CD1-CG1 3.45Å; I113-V120 VanDerWaalsContact CD1-CG1 3.45Å; I113-V120 HydrophobicContact CD1-CG2 4.06Å; I113-V120 HydrophobicContact CG1-CG1 3.63Å; I113-K121 WeakPolarHBondContact CA-O 3.41Å; I113-K121 WeakPolarHBondContact CG1-O 3.33Å; I113-T144 HydrophobicContact CD1-CG2 3.58Å
114	S	97.1	Very high	96.1	Very high	20 Å²	20	39.7 Å²	39.7	14%	0.14	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.4	166.2	67.3	0	0	0	0	109.2	T47 G90 V120 K121	T47-S114 PolarHBondContact OG1-N 2.92Å; G90-S114 CarbonylContact O-C 3.5Å; G90-S114 VanDerWaalsContact O-CA 3.3Å; G90-S114 WeakPolarHBondContact O-CA 3.26Å; S114-V120 WeakPolarHBondContact O-CA 3.38Å; S114-K121 PolarHBondContact N-O 2.86Å; S114-K121 PolarHBondContact O-N 3.23Å; S114-K121 WeakPolarHBondContact OG-CB 3.36Å
115	S	95.5	Very high	96.3	Very high	7 Å²	7	37.1 Å²	37.1	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.8	174.5	-168.6	0	0	0	0	110.5	A89 G90 G118 V119	A89-S115 CarbonylContact C-O 3.6Å; A89-S115 VanDerWaalsContact CA-O 3.27Å; A89-S115 WeakPolarHBondContact CA-O 3.49Å; G90-S115 PolarHBondContact N-O 2.84Å; G90-S115 PolarHBondContact O-N 2.87Å; S115-G118 WeakPolarHBondContact OG-CA 3.11Å; S115-G118 PolarHBondContact OG-N 2.73Å; S115-V119 CarbonylContact C-O 3.58Å; S115-V119 VanDerWaalsContact CA-O 3.26Å; S115-V119 WeakPolarHBondContact CA-O 3.34Å; S115-V119 PolarHBondContact OG-O 2.85Å
116	E	94.2	Very high	96.5	Very high	131 Å²	131	35.2 Å²	35.2	61%	0.612	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.4	112.5	168.1	-177.4	175	-169.7	0	0	108	A89 G118 V119	A89-E116 HydrophobicContact CB-CB 4.43Å; A89-E116 HydrophobicContact CB-CG 4.11Å; E116-G118 PolarHBondContact O-N 2.85Å; E116-G118 VanDerWaalsContact O-N 3.15Å; E116-V119 PolarHBondContact N-O 3.01Å; E116-V119 WeakPolarHBondContact O-CB 3.26Å; E116-V119 PolarHBondContact O-N 2.79Å
117	N	88.3	Confident	96.5	Very high	127 Å²	127	35.2 Å²	35.2	68%	0.679	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.5	-177.9	-58.4	-54.4	0	0	0	113.1	A88 V119	A88-N117 PolarHBondContact O-N 2.97Å; N117-V119 VanDerWaalsContact C-N 3.29Å; N117-V119 PolarHBondContact O-N 2.75Å
118	G	86.4	Confident	96.5	Very high	48 Å²	48	35.7 Å²	35.7	50%	0.495	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-9.3	-179.4	0	0	0	0	0	115.1	S115 E116 V120	S115-G118 WeakPolarHBondContact OG-CA 3.11Å; S115-G118 PolarHBondContact OG-N 2.73Å; E116-G118 PolarHBondContact O-N 2.85Å; E116-G118 VanDerWaalsContact O-N 3.15Å; G118-V120 PolarHBondContact O-N 2.83Å
119	V	92.9	Very high	96.4	Very high	110 Å²	110	37 Å²	37	67%	0.667	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77	122.7	170.8	-177.9	0	0	0	0	108.6	S115 E116 N117	S115-V119 CarbonylContact C-O 3.58Å; S115-V119 VanDerWaalsContact CA-O 3.26Å; S115-V119 WeakPolarHBondContact CA-O 3.34Å; S115-V119 PolarHBondContact OG-O 2.85Å; E116-V119 PolarHBondContact N-O 3.01Å; E116-V119 WeakPolarHBondContact O-CB 3.26Å; E116-V119 PolarHBondContact O-N 2.79Å; N117-V119 VanDerWaalsContact C-N 3.29Å; N117-V119 PolarHBondContact O-N 2.75Å
120	V	96	Very high	96.3	Very high	48 Å²	48	38.4 Å²	38.4	29%	0.291	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.4	-170.7	165.4	0	0	0	0	111.6	L79 I113 S114 G118 N122 T144	L79-V120 HydrophobicContact CD1-CG2 4.45Å; L79-V120 HydrophobicContact CD2-CG2 3.63Å; L79-V120 HydrophobicContact CG-CG2 4.38Å; I113-V120 HydrophobicContact CD1-CB 4.41Å; I113-V120 HydrophobicContact CD1-CG1 3.45Å; I113-V120 VanDerWaalsContact CD1-CG1 3.45Å; I113-V120 HydrophobicContact CD1-CG2 4.06Å; I113-V120 HydrophobicContact CG1-CG1 3.63Å; S114-V120 WeakPolarHBondContact O-CA 3.38Å; G118-V120 PolarHBondContact O-N 2.83Å; V120-N122 HydrophobicContact CG1-CB 3.9Å; V120-T144 HydrophobicContact CG1-CG2 4.19Å; V120-T144 HydrophobicContact CG2-CG2 4.25Å
121	K	97.4	Very high	96.1	Very high	146 Å²	146	46.7 Å²	46.7	64%	0.635	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.6	154.1	-59.7	175.9	-179.9	173.2	0	107.9	T47 I113 S114	T47-K121 HydrophobicContact CG2-CB 4.42Å; I113-K121 WeakPolarHBondContact CA-O 3.41Å; I113-K121 WeakPolarHBondContact CG1-O 3.33Å; S114-K121 PolarHBondContact N-O 2.86Å; S114-K121 PolarHBondContact O-N 3.23Å; S114-K121 WeakPolarHBondContact OG-CB 3.36Å
122	N	97.7	Very high	95.9	Very high	49 Å²	49	55.4 Å²	55.4	26%	0.262	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.3	-175.7	-164.5	-3.1	0	0	0	110.3	V120 S124 N143	V120-N122 HydrophobicContact CG1-CB 3.9Å; N122-S124 WeakPolarHBondContact OD1-CB 3.42Å; N122-S124 PolarHBondContact OD1-N 2.9Å; N122-S124 PolarHBondContact OD1-OG 3.16Å; N122-N143 PolarHBondContact ND2-O 3.41Å
123	G	97.8	Very high	95.8	Very high	22 Å²	22	59.9 Å²	59.9	23%	0.227	32%	0.317	C	S	.	.			trans	-113.5	18.8	171.8	0	0	0	0	0	112.1	N112	N112-G123 PolarHBondContact ND2-O 2.9Å; N112-G123 CarbonylContact O-C 3.59Å; N112-G123 WeakPolarHBondContact O-CA 3.34Å; N112-G123 PolarHBondContact O-N 2.91Å
124	S	98.6	Very high	95.7	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.007	34%	0.343	C	S	.	.			trans	-71.4	150.9	-179.3	-52.4	0	0	0	0	111.2	V110 N112 N122 A141	V110-S124 WeakPolarHBondContact O-CA 3.24Å; V110-S124 WeakPolarHBondContact O-CB 3.45Å; N112-S124 PolarHBondContact N-OG 2.91Å; N112-S124 PolarHBondContact O-N 2.86Å; N112-S124 PolarHBondContact O-OG 3.16Å; N122-S124 WeakPolarHBondContact OD1-CB 3.42Å; N122-S124 PolarHBondContact OD1-N 2.9Å; N122-S124 PolarHBondContact OD1-OG 3.16Å; S124-A141 WeakPolarHBondContact O-CB 3.47Å; S124-A141 PolarHBondContact O-N 3.31Å
125	L	98.6	Very high	95.7	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.016	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.4	-173.5	-55.4	170.6	0	0	0	109.9	M109 V110 L138 K140 F264 Q268 C271	M109-L125 CarbonylContact C-O 3.6Å; M109-L125 WeakPolarHBondContact CA-O 3.4Å; V110-L125 HydrophobicContact CB-CB 4.24Å; V110-L125 HydrophobicContact CG2-CB 4.33Å; V110-L125 PolarHBondContact N-O 3.47Å; V110-L125 PolarHBondContact O-N 3.45Å; L125-L138 HydrophobicContact CD1-CD1 4.16Å; L125-L138 HydrophobicContact CD2-CD1 4.45Å; L125-L138 HydrophobicContact CD2-CD2 4.17Å; L125-K140 HydrophobicContact CD2-CG 4.02Å; L125-F264 HydrophobicContact CD1-CB 3.66Å; L125-F264 HydrophobicContact CD1-CD1 4.31Å; L125-F264 HydrophobicContact CD1-CD2 4.12Å; L125-F264 HydrophobicContact CD1-CG 3.78Å; L125-Q268 HydrophobicContact CD1-CG 4.31Å; L125-C271 HydrophobicContact CB-CB 4.26Å; L125-C271 HydrophobicContact CD1-CB 4.36Å
126	F	98.6	Very high	95.8	Very high	5 Å²	5	69.2 Å²	69.2	2%	0.022	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128	173.7	-50	-43	0	0	0	110.6	P99 T103 E108 M109 L138 T139 A141 C271	P99-F126 VanDerWaalsContact CD-CE1 3.46Å; P99-F126 VanDerWaalsContact CD-CZ 3.4Å; P99-F126 HydrophobicContact CG-CE1 4.3Å; P99-F126 HydrophobicContact CG-CE2 4.2Å; P99-F126 HydrophobicContact CG-CZ 3.75Å; T103-F126 HydrophobicContact CG2-CD2 4.21Å; T103-F126 HydrophobicContact CG2-CE2 4.13Å; E108-F126 CarbonylContact O-C 3.49Å; E108-F126 VanDerWaalsContact O-CA 3.23Å; E108-F126 WeakPolarHBondContact O-CA 3.5Å; M109-F126 HydrophobicContact CB-CD1 4.01Å; M109-F126 HydrophobicContact CB-CE1 4.26Å; M109-F126 HydrophobicContact CE-CE1 3.93Å; M109-F126 HydrophobicContact CG-CD1 3.84Å; M109-F126 HydrophobicContact CG-CE1 3.71Å; M109-F126 HydrophobicContact SD-CD1 4.47Å; M109-F126 HydrophobicContact SD-CE1 3.79Å; F126-L138 CarbonylContact O-C 3.45Å; F126-L138 WeakPolarHBondContact O-CA 3.43Å; F126-T139 HydrophobicContact CD2-CG2 4.25Å; F126-T139 PolarHBondContact N-O 3.04Å; F126-T139 PolarHBondContact O-N 3.13Å; F126-A141 HydrophobicContact CE1-CB 3.94Å; F126-A141 HydrophobicContact CE2-CB 3.87Å; F126-A141 HydrophobicContact CZ-CB 3.43Å; F126-A141 VanDerWaalsContact CZ-CB 3.43Å; F126-C271 PolarHBondContact O-SG 2.91Å
127	G	98.2	Very high	95.9	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	104.3	175.3	0	0	0	0	0	110.3	S107 E108 C271	S107-G127 WeakPolarHBondContact CA-O 3.15Å; E108-G127 PolarHBondContact N-O 3.09Å; E108-G127 PolarHBondContact O-N 3.05Å; G127-C271 VanDerWaalsContact CA-SG 3.53Å; G127-C271 PolarHBondContact N-SG 3.31Å; G127-C271 VanDerWaalsContact N-SG 3.35Å
128	S	97.8	Very high	96.3	Very high	13 Å²	13	62.4 Å²	62.4	9%	0.091	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	172.4	175.7	61.3	0	0	0	0	111.2	L137	S128-L137 PolarHBondContact N-O 3.11Å; S128-L137 PolarHBondContact O-N 2.77Å
129	Y	97.9	Very high	96.9	Very high	43 Å²	43	63.1 Å²	63.1	17%	0.169	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.6	177.5	174.3	-115.8	0	0	0	111.6	K131 N134 L213 P214 K232 F234	Y129-K131 HydrophobicContact CD1-CB 4.2Å; Y129-K131 VanDerWaalsContact CE1-CA 3.48Å; Y129-K131 HydrophobicContact CE1-CB 3.78Å; Y129-K131 HydrophobicContact CE1-CG 4.11Å; Y129-K131 PolarHBondContact O-N 3.29Å; Y129-N134 WeakPolarHBondContact CE2-OD1 3.23Å; Y129-N134 PolarHBondContact OH-OD1 3.42Å; Y129-L213 PolarHBondContact N-O 2.82Å; Y129-P214 HydrophobicContact CD1-CB 3.77Å; Y129-P214 HydrophobicContact CG-CB 4.34Å; Y129-K232 HydrophobicContact CD1-CG 3.97Å; Y129-K232 HydrophobicContact CD2-CB 3.96Å; Y129-K232 HydrophobicContact CD2-CG 3.8Å; Y129-K232 HydrophobicContact CE1-CD 4.49Å; Y129-K232 HydrophobicContact CE1-CG 4.18Å; Y129-K232 HydrophobicContact CE2-CB 4.34Å; Y129-K232 HydrophobicContact CE2-CD 4.47Å; Y129-K232 HydrophobicContact CE2-CG 4.02Å; Y129-K232 HydrophobicContact CG-CB 4.26Å; Y129-K232 HydrophobicContact CG-CG 3.76Å; Y129-F234 HydrophobicContact CD2-CE2 4.06Å; Y129-F234 AromaticContact CD2-CZ 3.88Å; Y129-F234 HydrophobicContact CD2-CZ 3.88Å; Y129-F234 AromaticContact CE2-CZ 3.91Å; Y129-F234 HydrophobicContact CE2-CZ 3.91Å
130	D	96.1	Very high	97.1	Very high	30 Å²	30	64.5 Å²	64.5	16%	0.16	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	104.6	167.5	175.5	-7.8	0	0	0	109	E132 N133 N134 K135 L137	D130-E132 PolarHBondContact OD1-N 3.44Å; D130-N133 PolarHBondContact OD1-N 3.34Å; D130-N133 VanDerWaalsContact OD1-N 3.1Å; D130-N133 WeakPolarHBondContact OD2-CB 3.28Å; D130-N133 PolarHBondContact OD2-ND2 3.49Å; D130-N134 WeakPolarHBondContact O-CA 3.35Å; D130-N134 PolarHBondContact O-N 3.05Å; D130-K135 HydrophobicContact CB-CG 3.91Å; D130-K135 WeakPolarHBondContact CB-O 3.36Å; D130-K135 PolarHBondContact N-O 2.97Å; D130-K135 PolarHBondContact O-N 2.96Å; D130-K135 WeakPolarHBondContact OD2-CE 3.11Å; D130-K135 IonicContact OD2-NZ 3.99Å; D130-L137 HydrophobicContact CB-CB 4.47Å
131	K	94.4	Very high	97.2	Very high	175 Å²	175	62.9 Å²	62.9	76%	0.761	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-31.5	-179	-176.1	179	176.9	-175.6	0	113.2	Y129	Y129-K131 HydrophobicContact CD1-CB 4.2Å; Y129-K131 VanDerWaalsContact CE1-CA 3.48Å; Y129-K131 HydrophobicContact CE1-CB 3.78Å; Y129-K131 HydrophobicContact CE1-CG 4.11Å; Y129-K131 PolarHBondContact O-N 3.29Å
132	E	94.8	Very high	97.1	Very high	182 Å²	182	62.8 Å²	62.8	85%	0.85	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-40.2	-176.4	-63.1	-174.5	166.3	0	0	110.7	D130	D130-E132 PolarHBondContact OD1-N 3.44Å
133	N	96	Very high	97.1	Very high	98 Å²	98	61.9 Å²	61.9	52%	0.524	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-0.1	-178	-62	-71.9	0	0	0	113.9	D130 K135	D130-N133 PolarHBondContact OD1-N 3.34Å; D130-N133 VanDerWaalsContact OD1-N 3.1Å; D130-N133 WeakPolarHBondContact OD2-CB 3.28Å; D130-N133 PolarHBondContact OD2-ND2 3.49Å; N133-K135 VanDerWaalsContact C-N 3.33Å; N133-K135 HydrophobicContact CB-CD 3.73Å; N133-K135 HydrophobicContact CB-CG 3.84Å; N133-K135 PolarHBondContact O-N 2.83Å
134	N	95.5	Very high	97.1	Very high	103 Å²	103	61.8 Å²	61.8	55%	0.551	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	51	-175.8	-175.9	41.3	0	0	0	112.6	Y129 D130	Y129-N134 WeakPolarHBondContact CE2-OD1 3.23Å; Y129-N134 PolarHBondContact OH-OD1 3.42Å; D130-N134 WeakPolarHBondContact O-CA 3.35Å; D130-N134 PolarHBondContact O-N 3.05Å
135	K	96.8	Very high	97.1	Very high	96 Å²	96	65.3 Å²	65.3	42%	0.417	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.8	-175.5	70.6	-177.8	178.8	-173.3	0	111.7	D130 N133	D130-K135 HydrophobicContact CB-CG 3.91Å; D130-K135 WeakPolarHBondContact CB-O 3.36Å; D130-K135 PolarHBondContact N-O 2.97Å; D130-K135 PolarHBondContact O-N 2.96Å; D130-K135 WeakPolarHBondContact OD2-CE 3.11Å; D130-K135 IonicContact OD2-NZ 3.99Å; N133-K135 VanDerWaalsContact C-N 3.33Å; N133-K135 HydrophobicContact CB-CD 3.73Å; N133-K135 HydrophobicContact CB-CG 3.84Å; N133-K135 PolarHBondContact O-N 2.83Å
136	P	97.3	Very high	97.1	Very high	24 Å²	24	65.1 Å²	65.1	16%	0.156	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	146.6	168	31.9	-36.7	0	0	0	109.8	Y210 V212 F234 N270	P136-Y210 HydrophobicContact CB-CE2 4.47Å; P136-Y210 WeakPolarHBondContact CG-OH 3.33Å; P136-V212 HydrophobicContact CB-CG1 4.17Å; P136-V212 HydrophobicContact CB-CG2 4.5Å; P136-F234 HydrophobicContact CB-CD2 4.07Å; P136-F234 HydrophobicContact CB-CE2 4.24Å; P136-F234 HydrophobicContact CB-CG 4.43Å; P136-F234 HydrophobicContact CG-CD1 4.36Å; P136-F234 HydrophobicContact CG-CD2 4.29Å; P136-F234 HydrophobicContact CG-CG 4.16Å; P136-N270 WeakPolarHBondContact CG-OD1 3.25Å
137	L	96.8	Very high	97.1	Very high	82 Å²	82	64.9 Å²	64.9	43%	0.429	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.8	171.7	177.5	66	0	0	0	108.8	S128 D130	S128-L137 PolarHBondContact N-O 3.11Å; S128-L137 PolarHBondContact O-N 2.77Å; D130-L137 HydrophobicContact CB-CB 4.47Å
138	L	97.4	Very high	97.1	Very high	33 Å²	33	64.9 Å²	64.9	17%	0.173	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.7	174.1	179.4	151	0	0	0	110.1	L125 F126 K140 Q268 C271	L125-L138 HydrophobicContact CD1-CD1 4.16Å; L125-L138 HydrophobicContact CD2-CD1 4.45Å; L125-L138 HydrophobicContact CD2-CD2 4.17Å; F126-L138 CarbonylContact O-C 3.45Å; F126-L138 WeakPolarHBondContact O-CA 3.43Å; L138-K140 HydrophobicContact CD2-CG 4.48Å; L138-Q268 HydrophobicContact CD1-CB 4.38Å; L138-Q268 VanDerWaalsContact CD1-O 3.26Å; L138-Q268 WeakPolarHBondContact CD1-O 3.39Å; L138-Q268 WeakPolarHBondContact CD2-O 3.45Å; L138-C271 HydrophobicContact CD1-CB 3.95Å
139	T	97.5	Very high	97.1	Very high	62 Å²	62	64.7 Å²	64.7	38%	0.38	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.3	172.3	-57.7	0	0	0	0	109.6	F126	F126-T139 HydrophobicContact CD2-CG2 4.25Å; F126-T139 PolarHBondContact N-O 3.04Å; F126-T139 PolarHBondContact O-N 3.13Å
140	K	97.6	Very high	97.1	Very high	139 Å²	139	62.7 Å²	62.7	60%	0.604	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.3	172.6	-67.8	-173	176.5	-175.5	0	109.7	L125 L138 D142	L125-K140 HydrophobicContact CD2-CG 4.02Å; L138-K140 HydrophobicContact CD2-CG 4.48Å; K140-D142 PolarHBondContact O-N 2.78Å
141	A	97.9	Very high	97.2	Very high	14 Å²	14	61.4 Å²	61.4	12%	0.116	31%	0.305	C	S	.	.			trans	-69.2	128.9	177.6	0	0	0	0	0	111.1	S124 F126	S124-A141 WeakPolarHBondContact O-CB 3.47Å; S124-A141 PolarHBondContact O-N 3.31Å; F126-A141 HydrophobicContact CE1-CB 3.94Å; F126-A141 HydrophobicContact CE2-CB 3.87Å; F126-A141 HydrophobicContact CZ-CB 3.43Å; F126-A141 VanDerWaalsContact CZ-CB 3.43Å
142	D	96.4	Very high	97.4	Very high	144 Å²	144	53 Å²	53	77%	0.77	27%	0.269	S	S	*	.	S	Bend	trans	-103.4	-0	173.8	64.1	-4.3	0	0	0	112.7	K140	K140-D142 PolarHBondContact O-N 2.78Å
143	N	97	Very high	97.6	Very high	31 Å²	31	44.4 Å²	44.4	17%	0.166	23%	0.229	C	C	.	.	S	Bend	trans	-144.9	170.6	-178.4	70.3	82	0	0	0	111.1	N122 K145	N122-N143 PolarHBondContact ND2-O 3.41Å; N143-K145 WeakPolarHBondContact OD1-CA 3.18Å; N143-K145 WeakPolarHBondContact OD1-CB 3.47Å; N143-K145 PolarHBondContact OD1-N 3.04Å
144	T	97.8	Very high	97.7	Very high	20 Å²	20	39.8 Å²	39.8	12%	0.123	20%	0.204	C	C	.	.	S	Bend	trans	-99.9	8.4	-177.8	57.4	0	0	0	0	113.4	D77 L78 L79 I113 V120	D77-T144 VanDerWaalsContact OD1-CB 3.27Å; D77-T144 WeakPolarHBondContact OD1-CB 3.28Å; D77-T144 PolarHBondContact OD1-OG1 2.81Å; L78-T144 WeakPolarHBondContact CG-O 3.45Å; L78-T144 PolarHBondContact N-O 2.66Å; L79-T144 HydrophobicContact CD1-CG2 4.48Å; L79-T144 HydrophobicContact CG-CG2 4.28Å; I113-T144 HydrophobicContact CD1-CG2 3.58Å; V120-T144 HydrophobicContact CG1-CG2 4.19Å; V120-T144 HydrophobicContact CG2-CG2 4.25Å
145	K	98.5	Very high	97.8	Very high	74 Å²	74	35 Å²	35	32%	0.322	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	152.2	-174.5	-50.9	-57.1	-171	-179.9	0	111.3	Y76 D77 P99 F101 L102 N143	Y76-K145 VanDerWaalsContact O-CA 3.3Å; Y76-K145 WeakPolarHBondContact O-CA 3.32Å; D77-K145 HydrophobicContact CB-CD 3.74Å; D77-K145 VanDerWaalsContact CG-NZ 3.33Å; D77-K145 IonicContact OD2-NZ 3.93Å; D77-K145 PolarHBondContact OD2-NZ 3.43Å; P99-K145 HydrophobicContact CB-CB 3.99Å; P99-K145 WeakPolarHBondContact CG-O 3.37Å; F101-K145 HydrophobicContact CZ-CB 3.79Å; F101-K145 HydrophobicContact CZ-CG 4.31Å; L102-K145 HydrophobicContact CD1-CB 4.03Å; L102-K145 HydrophobicContact CD1-CG 3.89Å; N143-K145 WeakPolarHBondContact OD1-CA 3.18Å; N143-K145 WeakPolarHBondContact OD1-CB 3.47Å; N143-K145 PolarHBondContact OD1-N 3.04Å
146	F	98.7	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	173.9	172.8	71.4	-78.7	0	0	0	108.9	V60 Y76 L78 V81 A97 M109 M152	V60-F146 HydrophobicContact CB-CE2 4.04Å; V60-F146 HydrophobicContact CB-CZ 3.78Å; V60-F146 HydrophobicContact CG1-CE2 4.06Å; V60-F146 HydrophobicContact CG1-CZ 3.68Å; V60-F146 HydrophobicContact CG2-CZ 4.12Å; Y76-F146 HydrophobicContact CD2-CD2 4.02Å; Y76-F146 AromaticContact CD2-CE2 3.64Å; Y76-F146 HydrophobicContact CD2-CE2 3.64Å; Y76-F146 HydrophobicContact CD2-CZ 4.05Å; Y76-F146 HydrophobicContact CG-CE1 4.37Å; Y76-F146 HydrophobicContact CG-CE2 4Å; Y76-F146 AromaticContact CG-CZ 3.91Å; Y76-F146 HydrophobicContact CG-CZ 3.91Å; Y76-F146 PolarHBondContact N-O 3.13Å; Y76-F146 PolarHBondContact O-N 3.21Å; L78-F146 HydrophobicContact CD2-CD1 4.12Å; L78-F146 HydrophobicContact CD2-CE1 3.96Å; L78-F146 HydrophobicContact CG-CD1 4.01Å; L78-F146 HydrophobicContact CG-CE1 4.17Å; V81-F146 HydrophobicContact CG2-CE1 4.33Å; V81-F146 HydrophobicContact CG2-CZ 4.44Å; A97-F146 WeakPolarHBondContact O-CB 3.45Å; M109-F146 HydrophobicContact SD-CB 3.71Å; F146-M152 HydrophobicContact CE2-CE 4.44Å; F146-M152 HydrophobicContact CZ-CE 4.12Å
147	A	98.4	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	164.1	-175.6	0	0	0	0	0	112.1	K74 A97 F100 F101 L149	K74-A147 CarbonylContact O-C 3.6Å; K74-A147 VanDerWaalsContact O-CA 3.3Å; K74-A147 WeakPolarHBondContact O-CA 3.2Å; K74-A147 WeakPolarHBondContact O-CB 3.44Å; A97-A147 WeakPolarHBondContact CB-O 3.18Å; A97-A147 PolarHBondContact O-N 3.09Å; F100-A147 HydrophobicContact CD1-CB 3.79Å; F100-A147 HydrophobicContact CE1-CB 3.34Å; F100-A147 HydrophobicContact CZ-CB 4.13Å; F101-A147 HydrophobicContact CD1-CB 4.28Å; F101-A147 HydrophobicContact CE1-CB 4.16Å; A147-L149 PolarHBondContact O-N 2.79Å
148	L	98.2	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.4	-56.7	173.5	-46.7	179.3	0	0	0	116	G61 S62 Y65 L66 K71 K74 F100 F216	G61-L148 WeakPolarHBondContact CA-O 3.3Å; S62-L148 PolarHBondContact N-O 3.25Å; S62-L148 VanDerWaalsContact N-O 3.09Å; Y65-L148 WeakPolarHBondContact CD2-O 3.44Å; L66-L148 HydrophobicContact CB-CD1 4.22Å; L66-L148 HydrophobicContact CD1-CD1 3.66Å; K71-L148 VanDerWaalsContact O-CD2 3.25Å; K71-L148 WeakPolarHBondContact O-CD2 3.26Å; K74-L148 HydrophobicContact CB-CD2 4.34Å; K74-L148 PolarHBondContact O-N 2.73Å; F100-L148 HydrophobicContact CE1-CD1 4.24Å; F100-L148 HydrophobicContact CE1-CD2 4.02Å; F100-L148 HydrophobicContact CE1-CG 3.96Å; F100-L148 HydrophobicContact CZ-CD2 4.4Å; L148-F216 HydrophobicContact CD1-CE1 3.82Å; L148-F216 HydrophobicContact CD1-CZ 4.04Å
149	L	98.4	Very high	97.4	Very high	9 Å²	9	37 Å²	37	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	152	-179	65.2	97.3	0	0	0	112.1	V60 F63 L66 G96 A97 A147	V60-L149 CarbonylContact O-C 3.48Å; V60-L149 VanDerWaalsContact O-CA 3.23Å; V60-L149 WeakPolarHBondContact O-CA 3.32Å; F63-L149 HydrophobicContact CB-CD2 4.41Å; F63-L149 HydrophobicContact CD1-CD2 3.75Å; F63-L149 HydrophobicContact CD2-CD2 4.01Å; F63-L149 HydrophobicContact CE1-CD2 3.86Å; F63-L149 HydrophobicContact CE2-CD1 3.98Å; F63-L149 HydrophobicContact CE2-CD2 4.1Å; F63-L149 HydrophobicContact CG-CD2 3.82Å; F63-L149 HydrophobicContact CZ-CD1 3.94Å; F63-L149 HydrophobicContact CZ-CD2 4.01Å; L66-L149 HydrophobicContact CB-CD2 4.3Å; L66-L149 HydrophobicContact CD2-CD2 4.45Å; G96-L149 VanDerWaalsContact CA-O 3.27Å; G96-L149 WeakPolarHBondContact CA-O 3.39Å; A97-L149 PolarHBondContact N-O 2.78Å; A147-L149 PolarHBondContact O-N 2.79Å
150	G	98.5	Very high	97.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	130.3	169.3	0	0	0	0	0	110.3	V60 A95	V60-G150 PolarHBondContact N-O 2.97Å; V60-G150 PolarHBondContact O-N 2.84Å; A95-G150 CarbonylContact O-C 3.56Å; A95-G150 WeakPolarHBondContact O-CA 3.18Å
151	Q	98.4	Very high	97.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.3	178.8	-147	180	22.8	0	0	109.5	C58 D59 A95 I245 R257 H260	C58-Q151 WeakPolarHBondContact O-CA 3.15Å; D59-Q151 HydrophobicContact CB-CG 4.35Å; D59-Q151 VanDerWaalsContact OD1-CD 3.31Å; D59-Q151 VanDerWaalsContact OD1-CG 3.3Å; D59-Q151 WeakPolarHBondContact OD1-CG 3.42Å; D59-Q151 PolarHBondContact OD1-NE2 3.07Å; A95-Q151 PolarHBondContact N-O 2.76Å; A95-Q151 PolarHBondContact O-N 2.86Å; A95-Q151 VanDerWaalsContact O-O 3.12Å; Q151-I245 HydrophobicContact CG-CD1 4Å; Q151-I245 HydrophobicContact CG-CG1 3.99Å; Q151-R257 PolarHBondContact NE2-O 2.8Å; Q151-R257 PolarHBondContact OE1-O 3.24Å; Q151-R257 VanDerWaalsContact OE1-O 3.1Å; Q151-H260 HydrophobicContact CB-CB 4.36Å
152	M	98.3	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.8	-162.2	63.3	-158.5	78.8	0	0	112.2	I57 C58 V60 L78 V81 V92 I93 I111 F146	I57-M152 WeakPolarHBondContact CA-O 3.34Å; C58-M152 HydrophobicContact CB-CG 3.66Å; C58-M152 HydrophobicContact CB-SD 4.28Å; C58-M152 PolarHBondContact N-O 2.92Å; C58-M152 PolarHBondContact O-N 3.45Å; V60-M152 HydrophobicContact CG2-CE 4.21Å; L78-M152 HydrophobicContact CD2-CE 4.1Å; L78-M152 HydrophobicContact CD2-SD 3.68Å; V81-M152 HydrophobicContact CG1-SD 4.22Å; V92-M152 HydrophobicContact CG1-CB 3.59Å; V92-M152 HydrophobicContact CG1-CG 3.49Å; V92-M152 VanDerWaalsContact CG1-CG 3.49Å; V92-M152 HydrophobicContact CG1-SD 3.34Å; V92-M152 WeakPolarHBondContact CG1-SD 3.46Å; I93-M152 CarbonylContact O-C 3.59Å; I93-M152 WeakPolarHBondContact O-CA 3.34Å; I93-M152 WeakPolarHBondContact O-CB 3.47Å; I111-M152 HydrophobicContact CD1-CB 4.34Å; I111-M152 HydrophobicContact CD1-CE 3.65Å; I111-M152 HydrophobicContact CD1-SD 4.21Å; F146-M152 HydrophobicContact CE2-CE 4.44Å; F146-M152 HydrophobicContact CZ-CE 4.12Å
153	F	98.5	Very high	97.6	Very high	1 Å²	1	24 Å²	24	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.3	170.3	-177.3	-113.6	0	0	0	109.5	L51 I57 V92 I93 C155 I245 A292	L51-F153 HydrophobicContact CD2-CD1 4.45Å; L51-F153 HydrophobicContact CD2-CE1 4.33Å; I57-F153 HydrophobicContact CG1-CD2 4.42Å; V92-F153 WeakPolarHBondContact CA-O 3.39Å; I93-F153 HydrophobicContact CG1-CB 4.27Å; I93-F153 PolarHBondContact N-O 3.08Å; I93-F153 PolarHBondContact O-N 2.95Å; F153-C155 HydrophobicContact CD1-CB 4.43Å; F153-C155 HydrophobicContact CE1-CB 3.67Å; F153-C155 HydrophobicContact CZ-CB 4Å; F153-I245 HydrophobicContact CB-CG2 3.77Å; F153-A292 HydrophobicContact CD2-CB 4.49Å; F153-A292 HydrophobicContact CE2-CB 4.06Å
154	M	98.2	Very high	97.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.6	172.6	-175.8	177.6	-74.2	0	0	110	G55 V56 V81 F82 A85 V87 A91 V92	G55-M154 CarbonylContact C-O 3.56Å; G55-M154 WeakPolarHBondContact CA-O 3.47Å; V56-M154 HydrophobicContact CB-CB 4.33Å; V56-M154 PolarHBondContact N-O 2.93Å; V56-M154 PolarHBondContact O-N 3.25Å; V81-M154 HydrophobicContact CB-CE 4.39Å; V81-M154 HydrophobicContact CG1-CE 3.87Å; F82-M154 HydrophobicContact CB-CE 4.34Å; F82-M154 HydrophobicContact CD1-CE 3.87Å; F82-M154 HydrophobicContact CD1-SD 4.25Å; F82-M154 HydrophobicContact CD2-CE 4.24Å; F82-M154 HydrophobicContact CE1-CE 4.23Å; F82-M154 HydrophobicContact CG-CE 3.88Å; A85-M154 HydrophobicContact CB-CE 4.15Å; A85-M154 HydrophobicContact CB-SD 3.39Å; A85-M154 WeakPolarHBondContact CB-SD 3.46Å; V87-M154 HydrophobicContact CB-SD 3.79Å; V87-M154 HydrophobicContact CG1-SD 4.3Å; V87-M154 HydrophobicContact CG2-CG 4.36Å; V87-M154 HydrophobicContact CG2-SD 3.57Å; V87-M154 VanDerWaalsContact CG2-SD 3.57Å; A91-M154 CarbonylContact O-C 3.52Å; A91-M154 VanDerWaalsContact O-CA 3.26Å; A91-M154 WeakPolarHBondContact O-CA 3.41Å; V92-M154 HydrophobicContact CG2-CB 3.95Å; V92-M154 HydrophobicContact CG2-CE 3.28Å; V92-M154 HydrophobicContact CG2-CG 3.83Å; V92-M154 HydrophobicContact CG2-SD 4.38Å
155	C	97	Very high	97.7	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	173.3	171.6	66.2	0	0	0	0	111.7	E54 G90 A91 F153 G157	E54-C155 VanDerWaalsContact O-CA 3.31Å; E54-C155 WeakPolarHBondContact O-CA 3.49Å; G90-C155 CarbonylContact C-O 3.56Å; G90-C155 WeakPolarHBondContact CA-O 3.35Å; A91-C155 PolarHBondContact N-O 3.04Å; A91-C155 PolarHBondContact O-N 3.49Å; F153-C155 HydrophobicContact CD1-CB 4.43Å; F153-C155 HydrophobicContact CE1-CB 3.67Å; F153-C155 HydrophobicContact CZ-CB 4Å; C155-G157 PolarHBondContact O-N 2.93Å; C155-G157 PolarHBondContact SG-N 3.41Å
156	E	95.4	Very high	97.7	Very high	71 Å²	71	21.1 Å²	21.1	33%	0.332	12%	0.121	S	C	.	.			trans	-72.9	-10.9	175.5	-58.6	179.3	114.1	0	0	113.5	G53 K158	G53-E156 WeakPolarHBondContact CA-OE2 3.27Å; E156-K158 VanDerWaalsContact C-N 3.32Å; E156-K158 HydrophobicContact CB-CD 4.15Å; E156-K158 HydrophobicContact CB-CG 4.06Å; E156-K158 PolarHBondContact O-N 3.32Å; E156-K158 IonicContact OE1-NZ 3.36Å; E156-K158 PolarHBondContact OE1-NZ 2.71Å; E156-K158 WeakPolarHBondContact OE2-CD 3.23Å; E156-K158 WeakPolarHBondContact OE2-CE 3.36Å; E156-K158 IonicContact OE2-NZ 3.08Å; E156-K158 PolarHBondContact OE2-NZ 2.86Å
157	G	94.9	Very high	97.7	Very high	14 Å²	14	21.3 Å²	21.3	14%	0.144	12%	0.122	C	C	.	.			trans	74.6	17.6	175.7	0	0	0	0	0	115.1	G50 S52 C155	G50-G157 PolarHBondContact N-O 2.9Å; G50-G157 CarbonylContact O-C 3.55Å; G50-G157 VanDerWaalsContact O-CA 3.22Å; G50-G157 WeakPolarHBondContact O-CA 3.45Å; S52-G157 PolarHBondContact O-N 3.15Å; C155-G157 PolarHBondContact O-N 2.93Å; C155-G157 PolarHBondContact SG-N 3.41Å
158	K	95	Very high	97.7	Very high	101 Å²	101	23.3 Å²	23.3	44%	0.439	14%	0.136	S	C	.	.	B	Isolated β-bridge	trans	-76.1	151.5	-174.3	-65.9	174	-177.1	162	0	111.3	G50 S52 E156	G50-K158 CarbonylContact C-O 3.49Å; G50-K158 WeakPolarHBondContact CA-O 3.32Å; S52-K158 VanDerWaalsContact CB-O 3.28Å; S52-K158 WeakPolarHBondContact CB-O 3.33Å; S52-K158 PolarHBondContact N-O 3.4Å; S52-K158 PolarHBondContact O-N 3.05Å; E156-K158 VanDerWaalsContact C-N 3.32Å; E156-K158 HydrophobicContact CB-CD 4.15Å; E156-K158 HydrophobicContact CB-CG 4.06Å; E156-K158 PolarHBondContact O-N 3.32Å; E156-K158 IonicContact OE1-NZ 3.36Å; E156-K158 PolarHBondContact OE1-NZ 2.71Å; E156-K158 WeakPolarHBondContact OE2-CD 3.23Å; E156-K158 WeakPolarHBondContact OE2-CE 3.36Å; E156-K158 IonicContact OE2-NZ 3.08Å; E156-K158 PolarHBondContact OE2-NZ 2.86Å
159	P	95.8	Very high	97.7	Very high	91 Å²	91	23.6 Å²	23.6	59%	0.591	14%	0.139	S	C	*	.			trans	-60.6	152.1	161.6	-17.7	31.1	0	0	0	110.7
160	G	97.2	Very high	97.6	Very high	15 Å²	15	24.5 Å²	24.5	16%	0.155	14%	0.142	C	C	.	.			trans	153.4	-176.5	177.6	0	0	0	0	0	112.9	C36 S52	C36-G160 WeakPolarHBondContact CB-O 3.36Å; C36-G160 PolarHBondContact N-O 3.06Å; S52-G160 WeakPolarHBondContact OG-CA 3.47Å; S52-G160 PolarHBondContact OG-N 3.19Å; S52-G160 PolarHBondContact OG-O 3.47Å
161	P	98	Very high	97.5	Very high	71 Å²	71	29.2 Å²	29.2	46%	0.461	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.5	-173.8	28.5	-34.8	0	0	0	111.9	L11 I33 T34	L11-P161 HydrophobicContact CD1-CB 3.99Å; L11-P161 HydrophobicContact CD1-CG 4.27Å; I33-P161 HydrophobicContact CG2-CB 3.92Å; T34-P161 CarbonylContact O-C 3.5Å; T34-P161 WeakPolarHBondContact O-CA 3.43Å
162	V	98.6	Very high	97.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	164	176.2	-64.3	0	0	0	0	110.1	I33 T34 C36 L51 Y288	I33-V162 WeakPolarHBondContact CA-O 3.36Å; T34-V162 HydrophobicContact CG2-CG2 4.22Å; T34-V162 PolarHBondContact N-O 3.25Å; T34-V162 VanDerWaalsContact N-O 3.09Å; T34-V162 PolarHBondContact O-N 3.07Å; C36-V162 HydrophobicContact CB-CB 4.47Å; C36-V162 HydrophobicContact CB-CG1 3.75Å; C36-V162 HydrophobicContact CB-CG2 3.86Å; L51-V162 HydrophobicContact CB-CG1 4.01Å; V162-Y288 HydrophobicContact CG2-CD1 3.88Å
163	I	98.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	122	167.4	-62	169.7	0	0	0	107.6	L11 V14 C31 I33 Y288 F289	L11-I163 HydrophobicContact CB-CG1 4.29Å; L11-I163 HydrophobicContact CD2-CD1 4.28Å; L11-I163 HydrophobicContact CD2-CG1 3.98Å; V14-I163 HydrophobicContact CB-CD1 3.75Å; V14-I163 HydrophobicContact CG1-CD1 3.58Å; C31-I163 WeakPolarHBondContact SG-CG2 3.27Å; I33-I163 HydrophobicContact CD1-CG1 3.87Å; I163-Y288 CarbonylContact O-C 3.59Å; I163-Y288 VanDerWaalsContact O-CA 3.26Å; I163-Y288 WeakPolarHBondContact O-CA 3.49Å; I163-F289 HydrophobicContact CB-CB 4.4Å; I163-F289 PolarHBondContact N-O 3.17Å; I163-F289 PolarHBondContact O-N 2.61Å
164	E	98.8	Very high	96.8	Very high	26 Å²	26	41.4 Å²	41.4	12%	0.121	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.5	166.2	177.6	179.3	-138.3	0	0	109.5	C31 S32 T34 N166 R286 G287 Y288	C31-E164 CarbonylContact C-O 3.6Å; C31-E164 VanDerWaalsContact CA-O 3.29Å; C31-E164 WeakPolarHBondContact CA-O 3.32Å; C31-E164 PolarHBondContact SG-O 3.18Å; S32-E164 PolarHBondContact N-O 2.79Å; S32-E164 PolarHBondContact O-N 3.13Å; T34-E164 HydrophobicContact CG2-CB 3.49Å; T34-E164 VanDerWaalsContact CG2-CB 3.49Å; T34-E164 HydrophobicContact CG2-CG 4.33Å; E164-N166 WeakPolarHBondContact CG-ND2 3.31Å; E164-R286 IonicContact OE1-NH1 2.69Å; E164-G287 CarbonylContact C-O 3.54Å; E164-G287 WeakPolarHBondContact CA-O 3.4Å; E164-Y288 HydrophobicContact CB-CD1 3.93Å; E164-Y288 HydrophobicContact CB-CE1 3.7Å; E164-Y288 HydrophobicContact CG-CD1 4.13Å; E164-Y288 HydrophobicContact CG-CE1 3.52Å; E164-Y288 WeakPolarHBondContact OE1-CE1 3.39Å; E164-Y288 PolarHBondContact OE1-OH 2.89Å
165	L	98.8	Very high	96.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.6	177.9	174.1	62.1	0	0	0	109.1	I18 L22 V29 C31 V167 F176 I180 R286 G287 F289	I18-L165 HydrophobicContact CG2-CD1 3.95Å; I18-L165 HydrophobicContact CG2-CD2 3.86Å; I18-L165 HydrophobicContact CG2-CG 4.46Å; L22-L165 HydrophobicContact CD1-CD1 3.8Å; L22-L165 HydrophobicContact CD1-CD2 3.55Å; L22-L165 HydrophobicContact CD1-CG 4.27Å; V29-L165 HydrophobicContact CG1-CD1 4.26Å; C31-L165 HydrophobicContact CB-CD1 4.13Å; L165-V167 HydrophobicContact CD1-CG1 3.69Å; L165-V167 HydrophobicContact CG-CG1 4.05Å; L165-F176 HydrophobicContact CD2-CE2 3.98Å; L165-F176 HydrophobicContact CD2-CZ 3.6Å; L165-F176 HydrophobicContact CG-CZ 4.3Å; L165-I180 HydrophobicContact CD2-CD1 4.21Å; L165-I180 HydrophobicContact CD2-CG1 4.21Å; L165-R286 CarbonylContact O-C 3.52Å; L165-R286 VanDerWaalsContact O-CA 3.26Å; L165-R286 WeakPolarHBondContact O-CA 3.44Å; L165-G287 PolarHBondContact N-O 3.26Å; L165-G287 PolarHBondContact O-N 3.02Å; L165-F289 HydrophobicContact CB-CE2 4.34Å; L165-F289 HydrophobicContact CD2-CE2 4.34Å
166	N	98.7	Very high	96.5	Very high	39 Å²	39	44.4 Å²	44.4	21%	0.209	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.5	172.7	-70	-83.5	0	0	0	108.9	V29 K30 E164 Y285 R286	V29-N166 WeakPolarHBondContact CA-O 3.49Å; K30-N166 PolarHBondContact N-O 3.04Å; K30-N166 PolarHBondContact O-N 3.45Å; E164-N166 WeakPolarHBondContact CG-ND2 3.31Å; N166-Y285 WeakPolarHBondContact CA-O 3.23Å; N166-R286 WeakPolarHBondContact OD1-CG 3.38Å; N166-R286 PolarHBondContact OD1-NE 3.41Å
167	V	98.6	Very high	96.5	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.024	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.5	175.9	-56.3	0	0	0	0	111.8	L22 F26 T28 V29 L165 F176 S284 Y285	L22-V167 HydrophobicContact CD1-CG1 4.29Å; F26-V167 HydrophobicContact CB-CB 4.14Å; F26-V167 HydrophobicContact CD1-CB 3.9Å; F26-V167 HydrophobicContact CD1-CG2 3.81Å; F26-V167 HydrophobicContact CD2-CB 4Å; F26-V167 HydrophobicContact CD2-CG1 4.29Å; F26-V167 HydrophobicContact CD2-CG2 4.08Å; F26-V167 HydrophobicContact CE1-CB 4.3Å; F26-V167 HydrophobicContact CE1-CG2 3.7Å; F26-V167 HydrophobicContact CE2-CB 4.43Å; F26-V167 HydrophobicContact CE2-CG2 4Å; F26-V167 HydrophobicContact CG-CB 3.75Å; F26-V167 HydrophobicContact CG-CG1 4.44Å; F26-V167 HydrophobicContact CG-CG2 4.02Å; F26-V167 HydrophobicContact CZ-CG2 3.81Å; T28-V167 CarbonylContact O-C 3.57Å; T28-V167 VanDerWaalsContact O-CA 3.24Å; T28-V167 WeakPolarHBondContact O-CA 3.44Å; V29-V167 HydrophobicContact CB-CG1 4.24Å; V29-V167 HydrophobicContact CG1-CG1 3.9Å; V29-V167 HydrophobicContact CG2-CG1 3.97Å; L165-V167 HydrophobicContact CD1-CG1 3.69Å; L165-V167 HydrophobicContact CG-CG1 4.05Å; V167-F176 HydrophobicContact CG1-CE2 4.38Å; V167-F176 HydrophobicContact CG2-CD2 4.11Å; V167-F176 HydrophobicContact CG2-CE2 3.45Å; V167-F176 VanDerWaalsContact CG2-CE2 3.45Å; V167-F176 HydrophobicContact CG2-CZ 3.88Å; V167-S284 WeakPolarHBondContact O-CA 3.34Å; V167-Y285 HydrophobicContact CG2-CD2 4.06Å; V167-Y285 HydrophobicContact CG2-CG 4.43Å; V167-Y285 PolarHBondContact N-O 3.19Å; V167-Y285 PolarHBondContact O-N 3.01Å
168	S	98.1	Very high	96.6	Very high	41 Å²	41	41.4 Å²	41.4	29%	0.287	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	152.3	174.6	68.6	0	0	0	0	113.6	K27 T28 V283	K27-S168 PolarHBondContact N-O 3.32Å; T28-S168 WeakPolarHBondContact CB-OG 3.36Å; T28-S168 PolarHBondContact N-O 3.41Å; T28-S168 VanDerWaalsContact N-O 3.11Å; T28-S168 PolarHBondContact O-N 2.96Å; T28-S168 PolarHBondContact OG1-OG 3.5Å; S168-V283 WeakPolarHBondContact CA-O 3.34Å
169	G	96.9	Very high	96.8	Very high	7 Å²	7	36.6 Å²	36.6	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.9	75.5	178.8	0	0	0	0	0	111.8	F26 K27 I171 P281 V283	F26-G169 WeakPolarHBondContact CA-O 3.38Å; K27-G169 WeakPolarHBondContact CG-O 3.29Å; K27-G169 PolarHBondContact N-O 3.08Å; G169-I171 PolarHBondContact O-N 3.32Å; G169-P281 WeakPolarHBondContact CA-O 3.39Å; G169-V283 PolarHBondContact N-O 2.98Å
170	R	96.8	Very high	96.9	Very high	27 Å²	27	32.3 Å²	32.3	10%	0.102	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	133.4	178.9	-171	167.8	57.8	74	-4.3	110.4	C25 F26 R172 D173 M179 D277 G280 V283	C25-R170 WeakPolarHBondContact O-CA 3.36Å; F26-R170 HydrophobicContact CD1-CB 3.81Å; F26-R170 HydrophobicContact CD1-CG 4.35Å; F26-R170 HydrophobicContact CE1-CB 3.57Å; F26-R170 HydrophobicContact CE1-CG 3.95Å; F26-R170 HydrophobicContact CZ-CB 4.23Å; F26-R170 HydrophobicContact CZ-CG 4.1Å; R170-R172 WeakPolarHBondContact CD-O 3.32Å; R170-R172 WeakPolarHBondContact CG-O 3.37Å; R170-R172 PolarHBondContact NH1-O 2.91Å; R170-D173 IonicContact NH1-OD1 2.76Å; R170-M179 HydrophobicContact CG-CE 4.35Å; R170-D277 IonicContact CZ-OD1 3.13Å; R170-D277 IonicContact CZ-OD2 3.57Å; R170-D277 IonicContact NE-OD1 3.42Å; R170-D277 PolarHBondContact NE-OD1 3.16Å; R170-D277 IonicContact NE-OD2 3.61Å; R170-D277 PolarHBondContact NE-OD2 3.41Å; R170-D277 IonicContact NH2-OD1 3.03Å; R170-D277 PolarHBondContact NH2-OD1 3.12Å; R170-D277 IonicContact NH2-OD2 2.87Å; R170-G280 WeakPolarHBondContact CB-O 3.25Å; R170-G280 PolarHBondContact N-O 3.35Å; R170-V283 HydrophobicContact CB-CG1 3.99Å
171	I	97.2	Very high	96.9	Very high	100 Å²	100	34 Å²	34	51%	0.513	18%	0.184	S	C	.	.			trans	-118.1	-15.2	-179.9	57.2	170.5	0	0	0	113.1	C25 K27 G169	C25-I171 WeakPolarHBondContact O-CG1 3.32Å; C25-I171 PolarHBondContact O-N 3.29Å; K27-I171 HydrophobicContact CD-CG2 4.45Å; K27-I171 HydrophobicContact CG-CG2 3.6Å; G169-I171 PolarHBondContact O-N 3.32Å
172	R	96.1	Very high	96.9	Very high	76 Å²	76	33.3 Å²	33.3	29%	0.287	18%	0.175	S	C	.	.	S	Bend	trans	-110.8	139	175.1	-167.4	-176.1	70.1	162.9	2.5	109.9	C25 R170 M179 E182	C25-R172 HydrophobicContact CB-CB 4.44Å; C25-R172 PolarHBondContact O-N 3.48Å; C25-R172 PolarHBondContact SG-NE 2.76Å; C25-R172 VanDerWaalsContact SG-NE 3.36Å; C25-R172 PolarHBondContact SG-NH2 3.16Å; C25-R172 VanDerWaalsContact SG-NH2 3.43Å; R170-R172 WeakPolarHBondContact CD-O 3.32Å; R170-R172 WeakPolarHBondContact CG-O 3.37Å; R170-R172 PolarHBondContact NH1-O 2.91Å; R172-M179 HydrophobicContact CB-CE 4.49Å; R172-M179 VanDerWaalsContact NH2-CG 3.26Å; R172-M179 WeakPolarHBondContact O-CE 3.31Å; R172-E182 IonicContact CZ-OE2 3.24Å; R172-E182 VanDerWaalsContact CZ-OE2 3.24Å; R172-E182 IonicContact NH1-OE2 2.94Å; R172-E182 PolarHBondContact NH1-OE2 2.81Å; R172-E182 IonicContact NH2-OE2 2.68Å; R172-E182 PolarHBondContact NH2-OE2 3.31Å
173	D	93.2	Very high	96.9	Very high	146 Å²	146	33.4 Å²	33.4	78%	0.781	18%	0.175	S	C	*	.			trans	-66.2	147.3	171.6	-69.2	-30.4	0	0	0	111.6	R170	R170-D173 IonicContact NH1-OD1 2.76Å
174	G	91.6	Very high	96.9	Very high	37 Å²	37	33.4 Å²	33.4	38%	0.381	18%	0.175	S	C	.	.	S	Bend	trans	135.3	-179.5	-179.5	0	0	0	0	0	113
175	K	92.7	Very high	96.9	Very high	62 Å²	62	36.6 Å²	36.6	27%	0.27	19%	0.19	S	C	.	.			trans	-101.2	136.9	-178.6	-44.8	-172.1	-173.2	-175.9	0	110.1	D177 A178 M179 H275 F276	K175-D177 WeakPolarHBondContact CB-OD1 3.34Å; K175-D177 PolarHBondContact O-N 3.08Å; K175-A178 HydrophobicContact CB-CB 4.08Å; K175-A178 WeakPolarHBondContact O-CB 3.24Å; K175-A178 PolarHBondContact O-N 2.85Å; K175-A178 VanDerWaalsContact O-N 3.11Å; K175-M179 WeakPolarHBondContact O-CG 3.36Å; K175-M179 PolarHBondContact O-N 2.97Å; K175-H275 WeakPolarHBondContact CB-O 3.33Å; K175-H275 WeakPolarHBondContact CD-O 3.46Å; K175-H275 PolarHBondContact NZ-ND1 3.33Å; K175-F276 HydrophobicContact CD-CD1 4.41Å; K175-F276 HydrophobicContact CG-CB 4.14Å; K175-F276 HydrophobicContact CG-CD1 4.21Å
176	F	96	Very high	96.9	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.022	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-44.6	-173.5	176.9	-124.6	0	0	0	113.5	L22 F26 L165 V167 A178 M179 I180 I201 Y285	L22-F176 HydrophobicContact CD1-CE2 4.46Å; F26-F176 AromaticContact CE2-CD2 3.8Å; F26-F176 HydrophobicContact CE2-CD2 3.8Å; F26-F176 HydrophobicContact CE2-CE2 4.18Å; F26-F176 AromaticContact CZ-CD2 3.62Å; F26-F176 HydrophobicContact CZ-CD2 3.62Å; F26-F176 HydrophobicContact CZ-CE2 4.22Å; F26-F176 HydrophobicContact CZ-CG 4.45Å; L165-F176 HydrophobicContact CD2-CE2 3.98Å; L165-F176 HydrophobicContact CD2-CZ 3.6Å; L165-F176 HydrophobicContact CG-CZ 4.3Å; V167-F176 HydrophobicContact CG1-CE2 4.38Å; V167-F176 HydrophobicContact CG2-CD2 4.11Å; V167-F176 HydrophobicContact CG2-CE2 3.45Å; V167-F176 VanDerWaalsContact CG2-CE2 3.45Å; V167-F176 HydrophobicContact CG2-CZ 3.88Å; F176-A178 PolarHBondContact O-N 2.96Å; F176-M179 WeakPolarHBondContact O-CB 3.28Å; F176-M179 PolarHBondContact O-N 2.91Å; F176-M179 VanDerWaalsContact O-N 3.14Å; F176-I180 HydrophobicContact CD1-CD1 4.28Å; F176-I180 HydrophobicContact CE1-CD1 3.85Å; F176-I180 HydrophobicContact CE2-CD1 4.25Å; F176-I180 HydrophobicContact CE2-CG1 4.37Å; F176-I180 HydrophobicContact CZ-CD1 3.85Å; F176-I180 HydrophobicContact CZ-CG1 4.43Å; F176-I180 PolarHBondContact O-N 3.31Å; F176-I180 VanDerWaalsContact O-N 3.13Å; F176-I201 HydrophobicContact CD1-CD1 4.02Å; F176-I201 HydrophobicContact CD1-CG2 3.85Å; F176-I201 HydrophobicContact CE1-CD1 3.96Å; F176-I201 HydrophobicContact CE1-CG1 4.12Å; F176-I201 HydrophobicContact CE1-CG2 3.66Å; F176-Y285 HydrophobicContact CB-CD2 4.29Å; F176-Y285 HydrophobicContact CB-CE1 4.41Å; F176-Y285 HydrophobicContact CB-CE2 3.93Å; F176-Y285 AromaticContact CD1-CD1 3.78Å; F176-Y285 HydrophobicContact CD1-CD1 3.78Å; F176-Y285 HydrophobicContact CD1-CD2 4.09Å; F176-Y285 HydrophobicContact CD1-CE1 4.17Å; F176-Y285 HydrophobicContact CD1-CE2 4.46Å; F176-Y285 AromaticContact CD1-CG 3.73Å; F176-Y285 HydrophobicContact CD1-CG 3.73Å; F176-Y285 HydrophobicContact CD2-CD2 4.21Å; F176-Y285 HydrophobicContact CE1-CD1 4.14Å; F176-Y285 HydrophobicContact CE1-CD2 4.48Å; F176-Y285 AromaticContact CE1-CG 3.88Å; F176-Y285 HydrophobicContact CE1-CG 3.88Å; F176-Y285 HydrophobicContact CG-CD1 4.36Å; F176-Y285 AromaticContact CG-CD2 3.93Å; F176-Y285 HydrophobicContact CG-CD2 3.93Å; F176-Y285 HydrophobicContact CG-CE2 4.1Å; F176-Y285 HydrophobicContact CG-CG 4.06Å; F176-Y285 HydrophobicContact CZ-CG 4.33Å
177	D	95.5	Very high	96.9	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.059	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-41.5	175	60.6	-30.6	0	0	0	112.6	K175 M179 I180 R181 F261	K175-D177 WeakPolarHBondContact CB-OD1 3.34Å; K175-D177 PolarHBondContact O-N 3.08Å; D177-M179 VanDerWaalsContact C-N 3.31Å; D177-M179 PolarHBondContact O-N 2.85Å; D177-I180 WeakPolarHBondContact O-CB 3.22Å; D177-I180 PolarHBondContact O-N 3.13Å; D177-R181 PolarHBondContact O-N 2.83Å; D177-F261 HydrophobicContact CB-CD2 3.68Å; D177-F261 HydrophobicContact CB-CE2 4.01Å; D177-F261 HydrophobicContact CB-CG 4.41Å
178	A	96.5	Very high	96.9	Very high	10 Å²	10	44.1 Å²	44.1	8%	0.083	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-37.4	173.1	0	0	0	0	0	112.1	K175 F176 I180 R181 E182	K175-A178 HydrophobicContact CB-CB 4.08Å; K175-A178 WeakPolarHBondContact O-CB 3.24Å; K175-A178 PolarHBondContact O-N 2.85Å; K175-A178 VanDerWaalsContact O-N 3.11Å; F176-A178 PolarHBondContact O-N 2.96Å; A178-I180 VanDerWaalsContact C-N 3.33Å; A178-I180 PolarHBondContact O-N 2.89Å; A178-R181 PolarHBondContact O-N 2.75Å; A178-E182 VanDerWaalsContact O-CG 3.28Å; A178-E182 WeakPolarHBondContact O-CG 3.4Å; A178-E182 PolarHBondContact O-N 2.8Å
179	M	97.8	Very high	96.9	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-34	176.7	-47.2	-164.4	174.3	0	0	112.4	L22 C25 F26 R170 R172 K175 F176 D177 E182 A183	L22-M179 HydrophobicContact CD2-CB 3.55Å; L22-M179 HydrophobicContact CD2-SD 4.43Å; C25-M179 HydrophobicContact CB-SD 3.47Å; C25-M179 WeakPolarHBondContact CB-SD 3.47Å; F26-M179 HydrophobicContact CE2-SD 3.75Å; F26-M179 HydrophobicContact CZ-SD 4.34Å; R170-M179 HydrophobicContact CG-CE 4.35Å; R172-M179 HydrophobicContact CB-CE 4.49Å; R172-M179 VanDerWaalsContact NH2-CG 3.26Å; R172-M179 WeakPolarHBondContact O-CE 3.31Å; K175-M179 WeakPolarHBondContact O-CG 3.36Å; K175-M179 PolarHBondContact O-N 2.97Å; F176-M179 WeakPolarHBondContact O-CB 3.28Å; F176-M179 PolarHBondContact O-N 2.91Å; F176-M179 VanDerWaalsContact O-N 3.14Å; D177-M179 VanDerWaalsContact C-N 3.31Å; D177-M179 PolarHBondContact O-N 2.85Å; M179-E182 PolarHBondContact O-N 3.47Å; M179-A183 PolarHBondContact O-N 3.02Å
180	I	98.3	Very high	96.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-47.6	172.5	-64.7	166.6	0	0	0	109.7	L165 F176 D177 A178 E182 A183 L184 L197 I201 A246 F289	L165-I180 HydrophobicContact CD2-CD1 4.21Å; L165-I180 HydrophobicContact CD2-CG1 4.21Å; F176-I180 HydrophobicContact CD1-CD1 4.28Å; F176-I180 HydrophobicContact CE1-CD1 3.85Å; F176-I180 HydrophobicContact CE2-CD1 4.25Å; F176-I180 HydrophobicContact CE2-CG1 4.37Å; F176-I180 HydrophobicContact CZ-CD1 3.85Å; F176-I180 HydrophobicContact CZ-CG1 4.43Å; F176-I180 PolarHBondContact O-N 3.31Å; F176-I180 VanDerWaalsContact O-N 3.13Å; D177-I180 WeakPolarHBondContact O-CB 3.22Å; D177-I180 PolarHBondContact O-N 3.13Å; A178-I180 VanDerWaalsContact C-N 3.33Å; A178-I180 PolarHBondContact O-N 2.89Å; I180-E182 VanDerWaalsContact C-N 3.31Å; I180-E182 PolarHBondContact O-N 3.12Å; I180-A183 WeakPolarHBondContact O-CB 3.42Å; I180-A183 PolarHBondContact O-N 3.5Å; I180-L184 WeakPolarHBondContact O-CG 3.3Å; I180-L184 PolarHBondContact O-N 3.39Å; I180-L184 VanDerWaalsContact O-N 3.12Å; I180-L197 HydrophobicContact CG2-CD1 4.28Å; I180-I201 HydrophobicContact CD1-CD1 4.12Å; I180-A246 HydrophobicContact CG2-CB 4.29Å; I180-F289 HydrophobicContact CD1-CE1 4.39Å; I180-F289 HydrophobicContact CD1-CE2 4.11Å; I180-F289 HydrophobicContact CD1-CZ 3.59Å
181	R	98.2	Very high	96.9	Very high	51 Å²	51	51.3 Å²	51.3	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-40.5	176.3	-179.6	-91.5	-63.3	141.7	11	112.1	D177 A178 L184 H185 A246 V247 L258 E259	D177-R181 PolarHBondContact O-N 2.83Å; A178-R181 PolarHBondContact O-N 2.75Å; R181-L184 PolarHBondContact O-N 3.09Å; R181-H185 WeakPolarHBondContact O-CB 3.44Å; R181-H185 PolarHBondContact O-N 3.5Å; R181-A246 HydrophobicContact CB-CB 4.37Å; R181-V247 WeakPolarHBondContact CG-O 3.42Å; R181-L258 HydrophobicContact CG-CB 3.98Å; R181-E259 HydrophobicContact CB-CB 4.2Å; R181-E259 WeakPolarHBondContact CG-OE2 3.17Å; R181-E259 IonicContact CZ-OE1 3.6Å; R181-E259 IonicContact CZ-OE2 3.65Å; R181-E259 IonicContact NE-OE1 2.78Å; R181-E259 IonicContact NE-OE2 3.63Å; R181-E259 PolarHBondContact NE-OE2 3.18Å; R181-E259 IonicContact NH2-OE1 2.78Å; R181-E259 PolarHBondContact NH2-OE1 2.98Å; R181-E259 IonicContact NH2-OE2 3.55Å
182	E	98.4	Very high	96.9	Very high	56 Å²	56	53.5 Å²	53.5	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-60.5	-43.9	174.5	-74.4	170.8	-163.3	0	0	112.3	H21 R172 A178 M179 I180 L184 H185 V186	H21-E182 IonicContact NE2-OE2 3.38Å; R172-E182 IonicContact CZ-OE2 3.24Å; R172-E182 VanDerWaalsContact CZ-OE2 3.24Å; R172-E182 IonicContact NH1-OE2 2.94Å; R172-E182 PolarHBondContact NH1-OE2 2.81Å; R172-E182 IonicContact NH2-OE2 2.68Å; R172-E182 PolarHBondContact NH2-OE2 3.31Å; A178-E182 VanDerWaalsContact O-CG 3.28Å; A178-E182 WeakPolarHBondContact O-CG 3.4Å; A178-E182 PolarHBondContact O-N 2.8Å; M179-E182 PolarHBondContact O-N 3.47Å; I180-E182 VanDerWaalsContact C-N 3.31Å; I180-E182 PolarHBondContact O-N 3.12Å; E182-L184 VanDerWaalsContact C-N 3.3Å; E182-L184 PolarHBondContact O-N 3.27Å; E182-H185 PolarHBondContact O-N 3.18Å; E182-H185 VanDerWaalsContact O-N 3.16Å; E182-V186 WeakPolarHBondContact O-CG2 3.48Å; E182-V186 PolarHBondContact O-N 3.03Å
183	A	98.7	Very high	97	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-44	176.4	0	0	0	0	0	111.7	I18 H21 M179 I180 K187	I18-A183 HydrophobicContact CG1-CB 4.29Å; H21-A183 HydrophobicContact CB-CB 3.51Å; M179-A183 PolarHBondContact O-N 3.02Å; I180-A183 WeakPolarHBondContact O-CB 3.42Å; I180-A183 PolarHBondContact O-N 3.5Å; A183-K187 PolarHBondContact O-N 2.93Å
184	L	98.8	Very high	97.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-43.4	174.9	-63.5	178	0	0	0	111.7	V14 I180 R181 E182 K187 Y188 V195 L197 A246	V14-L184 HydrophobicContact CG1-CD2 4.04Å; I180-L184 WeakPolarHBondContact O-CG 3.3Å; I180-L184 PolarHBondContact O-N 3.39Å; I180-L184 VanDerWaalsContact O-N 3.12Å; R181-L184 PolarHBondContact O-N 3.09Å; E182-L184 VanDerWaalsContact C-N 3.3Å; E182-L184 PolarHBondContact O-N 3.27Å; L184-K187 PolarHBondContact O-N 3.31Å; L184-Y188 HydrophobicContact CD2-CD2 4.23Å; L184-Y188 HydrophobicContact CD2-CE2 4.24Å; L184-Y188 WeakPolarHBondContact O-CA 3.26Å; L184-Y188 WeakPolarHBondContact O-CB 3.24Å; L184-Y188 WeakPolarHBondContact O-CD2 3.37Å; L184-Y188 PolarHBondContact O-N 2.97Å; L184-V195 HydrophobicContact CD2-CG1 4.3Å; L184-L197 HydrophobicContact CD1-CD1 3.89Å; L184-L197 HydrophobicContact CD1-CG 3.84Å; L184-L197 HydrophobicContact CD2-CD1 3.97Å; L184-L197 HydrophobicContact CD2-CG 4.24Å; L184-L197 HydrophobicContact CG-CD1 4.33Å; L184-A246 HydrophobicContact CD1-CB 4.12Å
185	H	98.6	Very high	97.6	Very high	94 Å²	94	43.9 Å²	43.9	44%	0.435	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-46.5	179.6	-177.3	70.9	0	0	0	112.2	R181 E182 K187 Y188 G189 S248	R181-H185 WeakPolarHBondContact O-CB 3.44Å; R181-H185 PolarHBondContact O-N 3.5Å; E182-H185 PolarHBondContact O-N 3.18Å; E182-H185 VanDerWaalsContact O-N 3.16Å; H185-K187 PolarHBondContact O-N 3.23Å; H185-Y188 PolarHBondContact O-N 3.4Å; H185-G189 VanDerWaalsContact O-CA 3.25Å; H185-G189 WeakPolarHBondContact O-CA 3.24Å; H185-G189 PolarHBondContact O-N 3.5Å; H185-S248 WeakPolarHBondContact CA-O 3.39Å; H185-S248 WeakPolarHBondContact CB-O 3.36Å; H185-S248 PolarHBondContact ND1-O 3.17Å
186	V	98.4	Very high	97.9	Very high	103 Å²	103	41 Å²	41	62%	0.624	21%	0.21	S	C	*	.	H	α-helix	trans	-57.6	-40.2	178.4	167.8	0	0	0	0	111.1	E182	E182-V186 WeakPolarHBondContact O-CG2 3.48Å; E182-V186 PolarHBondContact O-N 3.03Å
187	K	98.5	Very high	98	Very high	95 Å²	95	40.8 Å²	40.8	41%	0.413	21%	0.21	S	C	.	.	H	α-helix	trans	-83.5	-37.3	-177.6	-178.8	63.4	178.6	178.6	0	113.6	E13 A17 A183 L184 H185 H190	E13-K187 WeakPolarHBondContact OE1-CE 3.24Å; A17-K187 HydrophobicContact CB-CB 3.99Å; A17-K187 HydrophobicContact CB-CD 4.37Å; A17-K187 HydrophobicContact CB-CG 3.84Å; A183-K187 PolarHBondContact O-N 2.93Å; L184-K187 PolarHBondContact O-N 3.31Å; H185-K187 PolarHBondContact O-N 3.23Å; K187-H190 PolarHBondContact O-CE1 2.93Å
188	Y	98.6	Very high	98.1	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-126	-5.2	-165.3	-55.4	-65.6	0	0	0	114.6	P9 E13 V14 L184 H185 H190 L191 V195	P9-Y188 HydrophobicContact CB-CE1 4.34Å; P9-Y188 HydrophobicContact CG-CD1 4.43Å; P9-Y188 HydrophobicContact CG-CE1 3.66Å; P9-Y188 HydrophobicContact CG-CE2 4.39Å; E13-Y188 WeakPolarHBondContact OE1-CE1 3.36Å; E13-Y188 PolarHBondContact OE1-OH 3.39Å; V14-Y188 HydrophobicContact CG2-CE2 4.29Å; L184-Y188 HydrophobicContact CD2-CD2 4.23Å; L184-Y188 HydrophobicContact CD2-CE2 4.24Å; L184-Y188 WeakPolarHBondContact O-CA 3.26Å; L184-Y188 WeakPolarHBondContact O-CB 3.24Å; L184-Y188 WeakPolarHBondContact O-CD2 3.37Å; L184-Y188 PolarHBondContact O-N 2.97Å; H185-Y188 PolarHBondContact O-N 3.4Å; Y188-H190 PolarHBondContact O-N 3.38Å; Y188-H190 VanDerWaalsContact O-N 3.09Å; Y188-L191 HydrophobicContact CD1-CD1 3.8Å; Y188-L191 WeakPolarHBondContact O-CB 3.24Å; Y188-L191 PolarHBondContact O-N 2.87Å; Y188-V195 HydrophobicContact CD1-CG2 3.68Å; Y188-V195 HydrophobicContact CD2-CB 3.85Å; Y188-V195 HydrophobicContact CD2-CG1 4.24Å; Y188-V195 HydrophobicContact CD2-CG2 3.64Å; Y188-V195 HydrophobicContact CE1-CG2 4.12Å; Y188-V195 HydrophobicContact CE2-CB 4.39Å; Y188-V195 HydrophobicContact CE2-CG1 4.32Å; Y188-V195 HydrophobicContact CE2-CG2 4.09Å; Y188-V195 HydrophobicContact CG-CB 4.05Å; Y188-V195 HydrophobicContact CG-CG2 3.42Å; Y188-V195 VanDerWaalsContact CG-CG2 3.42Å
189	G	97.9	Very high	98.2	Very high	23 Å²	23	39.8 Å²	39.8	24%	0.237	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.5	-175.6	0	0	0	0	0	115.1	H185	H185-G189 VanDerWaalsContact O-CA 3.25Å; H185-G189 WeakPolarHBondContact O-CA 3.24Å; H185-G189 PolarHBondContact O-N 3.5Å
190	H	97	Very high	98.3	Very high	146 Å²	146	39.7 Å²	39.7	68%	0.676	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.2	176.4	63.9	-88.6	0	0	0	113.4	K187 Y188	K187-H190 PolarHBondContact O-CE1 2.93Å; Y188-H190 PolarHBondContact O-N 3.38Å; Y188-H190 VanDerWaalsContact O-N 3.09Å
191	L	97.7	Very high	98.3	Very high	56 Å²	56	40 Å²	40	29%	0.293	20%	0.204	S	C	.	.	S	Bend	trans	-83.4	155.4	179.1	-58.9	-177.1	0	0	0	111	Y188 H249	Y188-L191 HydrophobicContact CD1-CD1 3.8Å; Y188-L191 WeakPolarHBondContact O-CB 3.24Å; Y188-L191 PolarHBondContact O-N 2.87Å; L191-H249 PolarHBondContact O-CE1 2.99Å; L191-H249 PolarHBondContact O-NE2 2.8Å
192	N	96.6	Very high	98.3	Very high	147 Å²	147	37.8 Å²	37.8	79%	0.786	20%	0.196	S	C	*	.	S	Bend	trans	-69.4	-36.6	175.2	-69.7	-18.7	0	0	0	112.9
193	N	98	Very high	98.2	Very high	57 Å²	57	35.3 Å²	35.3	31%	0.305	19%	0.185	S	C	.	.	S	Bend	trans	-104.6	130.1	178.4	-67.2	4.7	0	0	0	108.6	K5 H7	K5-N193 PolarHBondContact O-ND2 2.96Å; H7-N193 HydrophobicContact CB-CB 4.03Å
194	A	98.5	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.			trans	-70	150.8	177.8	0	0	0	0	0	112.3	L6 H7 V247 S248 H249 P251	L6-A194 WeakPolarHBondContact CA-O 3.44Å; L6-A194 WeakPolarHBondContact CB-O 3.27Å; L6-A194 HydrophobicContact CD2-CB 4.13Å; L6-A194 WeakPolarHBondContact CD2-O 3.35Å; H7-A194 PolarHBondContact N-O 2.99Å; A194-V247 HydrophobicContact CB-CG1 3.66Å; A194-S248 WeakPolarHBondContact CA-OG 3.4Å; A194-H249 WeakPolarHBondContact CA-CE1 3.48Å; A194-H249 PolarHBondContact N-CE1 2.82Å; A194-P251 HydrophobicContact CB-CB 4.16Å; A194-P251 HydrophobicContact CB-CG 3.95Å
195	V	98.8	Very high	98.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.			trans	-91.2	128.6	160.3	179.5	0	0	0	0	108.1	H7 P9 V14 L184 Y188 V247 S248 I291	H7-V195 HydrophobicContact CB-CG2 4.08Å; P9-V195 HydrophobicContact CG-CG1 4.27Å; P9-V195 HydrophobicContact CG-CG2 3.65Å; V14-V195 HydrophobicContact CG2-CG1 4.48Å; L184-V195 HydrophobicContact CD2-CG1 4.3Å; Y188-V195 HydrophobicContact CD1-CG2 3.68Å; Y188-V195 HydrophobicContact CD2-CB 3.85Å; Y188-V195 HydrophobicContact CD2-CG1 4.24Å; Y188-V195 HydrophobicContact CD2-CG2 3.64Å; Y188-V195 HydrophobicContact CE1-CG2 4.12Å; Y188-V195 HydrophobicContact CE2-CB 4.39Å; Y188-V195 HydrophobicContact CE2-CG1 4.32Å; Y188-V195 HydrophobicContact CE2-CG2 4.09Å; Y188-V195 HydrophobicContact CG-CB 4.05Å; Y188-V195 HydrophobicContact CG-CG2 3.42Å; Y188-V195 VanDerWaalsContact CG-CG2 3.42Å; V195-V247 WeakPolarHBondContact O-CA 3.37Å; V195-S248 PolarHBondContact N-OG 2.91Å; V195-S248 PolarHBondContact O-N 3.17Å; V195-S248 PolarHBondContact O-OG 3.26Å; V195-I291 HydrophobicContact CG1-CG2 4.37Å
196	G	98.6	Very high	97.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.4	177.6	0	0	0	0	0	111.5	A246 A292	G196-A246 CarbonylContact C-O 3.57Å; G196-A246 WeakPolarHBondContact CA-O 3.34Å; G196-A292 PolarHBondContact O-N 3.03Å
197	L	98.6	Very high	97.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148.1	173	-59.6	-174.3	0	0	0	110.3	V14 I18 I180 L184 I245 A246 F289 S290 I291	V14-L197 HydrophobicContact CG1-CD1 4.26Å; V14-L197 HydrophobicContact CG1-CD2 4.15Å; I18-L197 HydrophobicContact CD1-CD1 3.83Å; I180-L197 HydrophobicContact CG2-CD1 4.28Å; L184-L197 HydrophobicContact CD1-CD1 3.89Å; L184-L197 HydrophobicContact CD1-CG 3.84Å; L184-L197 HydrophobicContact CD2-CD1 3.97Å; L184-L197 HydrophobicContact CD2-CG 4.24Å; L184-L197 HydrophobicContact CG-CD1 4.33Å; L197-I245 CarbonylContact O-C 3.39Å; L197-I245 WeakPolarHBondContact O-CA 3.23Å; L197-I245 WeakPolarHBondContact O-CB 3.3Å; L197-A246 PolarHBondContact N-O 3.15Å; L197-A246 PolarHBondContact O-N 3.3Å; L197-F289 HydrophobicContact CD1-CB 4.4Å; L197-S290 WeakPolarHBondContact CA-O 3.29Å; L197-I291 HydrophobicContact CD2-CB 4.29Å; L197-I291 HydrophobicContact CD2-CG1 3.72Å
198	G	98.6	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.9	164.6	0	0	0	0	0	110.9	G244 F289 S290	G198-G244 WeakPolarHBondContact CA-O 3.4Å; G198-F289 WeakPolarHBondContact O-CA 3.27Å; G198-S290 PolarHBondContact N-O 3.42Å; G198-S290 VanDerWaalsContact N-O 3.08Å; G198-S290 PolarHBondContact O-N 3.48Å
199	G	98.3	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-160.5	-175	0	0	0	0	0	115.1	V243 G244 Y288	G199-V243 WeakPolarHBondContact O-CA 3.35Å; G199-G244 PolarHBondContact N-O 2.77Å; G199-G244 VanDerWaalsContact N-O 3.16Å; G199-G244 PolarHBondContact O-N 2.81Å; G199-Y288 VanDerWaalsContact CA-O 3.23Å; G199-Y288 WeakPolarHBondContact CA-O 3.45Å
200	V	98.6	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.1	-176.4	61.4	0	0	0	0	110.3	L39 L46 L51 I241 S242 V243 G287 Y288	L39-V200 HydrophobicContact CD1-CG1 4.01Å; L39-V200 HydrophobicContact CD2-CG1 3.93Å; L46-V200 HydrophobicContact CD1-CB 4.17Å; L46-V200 HydrophobicContact CD1-CG2 4.18Å; L51-V200 HydrophobicContact CD1-CG1 4.5Å; V200-I241 HydrophobicContact CG2-CG2 3.59Å; V200-S242 CarbonylContact C-O 3.51Å; V200-S242 VanDerWaalsContact CA-O 3.31Å; V200-S242 WeakPolarHBondContact CA-O 3.24Å; V200-V243 HydrophobicContact CB-CG1 4.23Å; V200-V243 HydrophobicContact CG2-CG1 4.11Å; V200-G287 CarbonylContact O-C 3.55Å; V200-G287 VanDerWaalsContact O-CA 3.28Å; V200-G287 WeakPolarHBondContact O-CA 3.42Å; V200-Y288 HydrophobicContact CG1-CD2 4.21Å; V200-Y288 PolarHBondContact N-O 3.02Å; V200-Y288 PolarHBondContact O-N 2.85Å
201	I	98.3	Very high	97.5	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.8	173.2	-63.4	165.5	0	0	0	107.7	F176 I180 I241 S242 F261 Y285 R286 F289	F176-I201 HydrophobicContact CD1-CD1 4.02Å; F176-I201 HydrophobicContact CD1-CG2 3.85Å; F176-I201 HydrophobicContact CE1-CD1 3.96Å; F176-I201 HydrophobicContact CE1-CG1 4.12Å; F176-I201 HydrophobicContact CE1-CG2 3.66Å; I180-I201 HydrophobicContact CD1-CD1 4.12Å; I201-I241 CarbonylContact O-C 3.45Å; I201-I241 WeakPolarHBondContact O-CA 3.4Å; I201-S242 PolarHBondContact N-O 2.85Å; I201-S242 PolarHBondContact O-N 3.44Å; I201-F261 HydrophobicContact CD1-CD1 4.06Å; I201-F261 HydrophobicContact CD1-CE1 3.82Å; I201-F261 HydrophobicContact CD1-CZ 4.16Å; I201-F261 HydrophobicContact CG1-CE1 4.37Å; I201-Y285 HydrophobicContact CG2-CD1 3.81Å; I201-R286 CarbonylContact C-O 3.57Å; I201-R286 WeakPolarHBondContact CA-O 3.13Å; I201-F289 HydrophobicContact CD1-CE1 4.28Å; I201-F289 HydrophobicContact CD1-CZ 3.94Å; I201-F289 HydrophobicContact CG1-CE1 4.04Å; I201-F289 HydrophobicContact CG1-CZ 3.58Å
202	V	98.1	Very high	97.5	Very high	5 Å²	5	26 Å²	26	3%	0.03	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.2	169.4	-174.6	0	0	0	0	107.6	P43 Y44 E204 P239 V240 Y285 R286	P43-V202 HydrophobicContact CG-CG1 4.16Å; P43-V202 HydrophobicContact CG-CG2 4.5Å; Y44-V202 HydrophobicContact CD1-CG2 3.71Å; Y44-V202 HydrophobicContact CE1-CG2 3.71Å; V202-E204 HydrophobicContact CG1-CG 4.12Å; V202-E204 PolarHBondContact O-N 2.76Å; V202-P239 HydrophobicContact CG1-CB 4.3Å; V202-V240 CarbonylContact C-O 3.45Å; V202-V240 WeakPolarHBondContact CA-O 3.5Å; V202-Y285 CarbonylContact O-C 3.53Å; V202-Y285 WeakPolarHBondContact O-CA 3.42Å; V202-R286 PolarHBondContact N-O 3.31Å; V202-R286 PolarHBondContact O-N 2.86Å
203	Q	97.8	Very high	97.5	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.014	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	105.5	161.9	-171.4	173.7	-26.5	0	0	107.5	Q205 K207 S238 P239 V240 V283 S284 Y285	Q203-Q205 WeakPolarHBondContact CG-O 3.23Å; Q203-Q205 PolarHBondContact NE2-O 2.87Å; Q203-K207 PolarHBondContact NE2-O 2.97Å; Q203-K207 VanDerWaalsContact NE2-O 3.08Å; Q203-S238 VanDerWaalsContact O-CB 3.29Å; Q203-S238 WeakPolarHBondContact O-CB 3.29Å; Q203-P239 WeakPolarHBondContact O-CA 3.36Å; Q203-V240 HydrophobicContact CB-CB 4.11Å; Q203-V240 PolarHBondContact N-O 2.87Å; Q203-V240 PolarHBondContact O-N 2.97Å; Q203-V240 VanDerWaalsContact O-N 3.14Å; Q203-V283 HydrophobicContact CG-CG2 3.88Å; Q203-S284 CarbonylContact C-O 3.56Å; Q203-Y285 HydrophobicContact CB-CD1 3.7Å; Q203-Y285 HydrophobicContact CB-CE1 3.5Å; Q203-Y285 VanDerWaalsContact CB-CE1 3.5Å; Q203-Y285 HydrophobicContact CG-CD1 3.91Å; Q203-Y285 HydrophobicContact CG-CE1 3.48Å; Q203-Y285 VanDerWaalsContact CG-CE1 3.48Å; Q203-Y285 PolarHBondContact OE1-OH 2.85Å
204	E	97.4	Very high	97.4	Very high	64 Å²	64	17.2 Å²	17.2	30%	0.299	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-28.7	-174	-60.7	174.1	141.1	0	0	112	V202 S238 S284 R286	V202-E204 HydrophobicContact CG1-CG 4.12Å; V202-E204 PolarHBondContact O-N 2.76Å; E204-S238 WeakPolarHBondContact O-CB 3.39Å; E204-S238 PolarHBondContact O-OG 3.41Å; E204-S284 WeakPolarHBondContact CB-OG 3.39Å; E204-S284 PolarHBondContact N-O 2.92Å; E204-S284 PolarHBondContact OE2-OG 3.39Å; E204-R286 HydrophobicContact CG-CB 4.37Å; E204-R286 IonicContact OE1-CZ 3.94Å; E204-R286 IonicContact OE1-NE 3.25Å; E204-R286 PolarHBondContact OE1-NE 3.29Å; E204-R286 IonicContact OE1-NH2 2.64Å; E204-R286 PolarHBondContact OE1-NH2 3.15Å
205	Q	96.5	Very high	97.3	Very high	116 Å²	116	22.1 Å²	22.1	54%	0.542	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.7	179.4	-63.7	-174.1	28.2	0	0	112.1	Q203 S238 V283	Q203-Q205 WeakPolarHBondContact CG-O 3.23Å; Q203-Q205 PolarHBondContact NE2-O 2.87Å; Q205-S238 WeakPolarHBondContact CA-OG 3.38Å; Q205-V283 WeakPolarHBondContact O-CG2 3.33Å
206	G	94.2	Very high	97.2	Very high	25 Å²	25	22.8 Å²	22.8	26%	0.258	11%	0.114	S	C	.	.	S	Bend	trans	102.1	-162.7	174.5	0	0	0	0	0	113.4	S238	G206-S238 PolarHBondContact N-OG 3.36Å; G206-S238 WeakPolarHBondContact O-CB 3.41Å; G206-S238 PolarHBondContact O-N 2.86Å; G206-S238 PolarHBondContact O-OG 2.96Å
207	K	95.4	Very high	97.1	Very high	79 Å²	79	24.5 Å²	24.5	34%	0.343	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.3	177.4	-60.9	-173.2	177.6	-157.4	0	109.7	Q203 E235 M236 E237 D277 T278	Q203-K207 PolarHBondContact NE2-O 2.97Å; Q203-K207 VanDerWaalsContact NE2-O 3.08Å; K207-E235 WeakPolarHBondContact CD-OE2 3.41Å; K207-M236 WeakPolarHBondContact CA-O 3.16Å; K207-E237 HydrophobicContact CD-CG 4.49Å; K207-E237 WeakPolarHBondContact CE-OE1 3.3Å; K207-E237 HydrophobicContact CG-CG 4.29Å; K207-E237 IonicContact NZ-OE1 3.92Å; K207-E237 PolarHBondContact NZ-OE1 3.19Å; K207-D277 VanDerWaalsContact O-CA 3.23Å; K207-D277 WeakPolarHBondContact O-CA 3.26Å; K207-T278 WeakPolarHBondContact CB-OG1 3.41Å; K207-T278 PolarHBondContact O-N 3.2Å; K207-T278 VanDerWaalsContact O-N 3.16Å
208	S	94.9	Very high	96.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.2	177.3	-171.7	0	0	0	0	109.9	E235 M236	S208-E235 VanDerWaalsContact O-CA 3.31Å; S208-E235 WeakPolarHBondContact O-CA 3.28Å; S208-M236 PolarHBondContact N-O 2.9Å; S208-M236 PolarHBondContact O-N 2.95Å
209	L	96.7	Very high	96.7	Very high	27 Å²	27	39.6 Å²	39.6	14%	0.141	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132	166.5	-164.6	76.7	0	0	0	108.9	M233 F234 E235 H275 F276 T278	L209-M233 HydrophobicContact CD1-CB 4.37Å; L209-M233 HydrophobicContact CD2-SD 3.89Å; L209-M233 HydrophobicContact CG-SD 4.07Å; L209-F234 WeakPolarHBondContact CA-O 3.27Å; L209-F234 WeakPolarHBondContact CD1-O 3.48Å; L209-E235 HydrophobicContact CD1-CG 3.96Å; L209-H275 HydrophobicContact CB-CB 4.46Å; L209-H275 WeakPolarHBondContact O-CB 3.36Å; L209-H275 PolarHBondContact O-N 2.7Å; L209-F276 HydrophobicContact CB-CD2 4.36Å; L209-F276 HydrophobicContact CB-CE2 4.29Å; L209-F276 WeakPolarHBondContact CB-O 3.48Å; L209-F276 HydrophobicContact CD2-CD2 4.44Å; L209-F276 HydrophobicContact CD2-CE1 3.91Å; L209-F276 HydrophobicContact CD2-CE2 3.65Å; L209-F276 HydrophobicContact CD2-CZ 3.34Å; L209-F276 PolarHBondContact N-O 2.87Å; L209-T278 HydrophobicContact CB-CG2 4.11Å
210	Y	97.6	Very high	96.6	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	165.4	174.9	70.9	-74	0	0	0	109.4	P136 V212 M233 F234 M236 N270 C271 H273	P136-Y210 HydrophobicContact CB-CE2 4.47Å; P136-Y210 WeakPolarHBondContact CG-OH 3.33Å; Y210-V212 HydrophobicContact CD2-CG1 4.39Å; Y210-V212 HydrophobicContact CE2-CG1 4Å; Y210-M233 CarbonylContact O-C 3.52Å; Y210-M233 WeakPolarHBondContact O-CA 3.47Å; Y210-F234 HydrophobicContact CD1-CB 4.28Å; Y210-F234 WeakPolarHBondContact CD1-O 3.4Å; Y210-F234 HydrophobicContact CE1-CB 3.57Å; Y210-F234 HydrophobicContact CE2-CB 4.27Å; Y210-F234 PolarHBondContact N-O 2.92Å; Y210-F234 PolarHBondContact O-N 2.8Å; Y210-M236 HydrophobicContact CD1-CB 4.32Å; Y210-M236 HydrophobicContact CD1-CE 3.32Å; Y210-M236 HydrophobicContact CD1-CG 3.88Å; Y210-M236 HydrophobicContact CD1-SD 4.42Å; Y210-M236 HydrophobicContact CD2-CE 3.6Å; Y210-M236 HydrophobicContact CE1-CB 3.85Å; Y210-M236 HydrophobicContact CE1-CE 3.37Å; Y210-M236 HydrophobicContact CE1-CG 3.91Å; Y210-M236 HydrophobicContact CE2-CE 3.64Å; Y210-M236 HydrophobicContact CG-CE 3.44Å; Y210-M236 VanDerWaalsContact CG-CE 3.44Å; Y210-N270 WeakPolarHBondContact OH-CB 3.4Å; Y210-N270 VanDerWaalsContact OH-CG 3.32Å; Y210-N270 PolarHBondContact OH-OD1 2.86Å; Y210-C271 WeakPolarHBondContact CE2-O 3.18Å; Y210-H273 CarbonylContact C-O 3.59Å; Y210-H273 WeakPolarHBondContact CA-O 3.44Å; Y210-H273 VanDerWaalsContact CB-O 3.29Å; Y210-H273 WeakPolarHBondContact CB-O 3.49Å
211	H	98.1	Very high	96.5	Very high	15 Å²	15	43.1 Å²	43.1	7%	0.069	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	155.7	169	74.6	-85.3	0	0	0	112.9	E108 I231 K232 M233 G272 H273 H275	E108-H211 IonicContact OE1-CD2 2.94Å; E108-H211 IonicContact OE1-CE1 3.21Å; E108-H211 IonicContact OE1-NE2 2.97Å; E108-H211 PolarHBondContact OE1-NE2 3.45Å; H211-I231 HydrophobicContact CB-CB 4.29Å; H211-K232 CarbonylContact C-O 3.37Å; H211-K232 WeakPolarHBondContact CA-O 3.41Å; H211-K232 VanDerWaalsContact CB-O 3.31Å; H211-K232 WeakPolarHBondContact CB-O 3.44Å; H211-M233 HydrophobicContact CB-CE 4.25Å; H211-M233 HydrophobicContact CB-CG 4.48Å; H211-M233 HydrophobicContact CB-SD 3.8Å; H211-G272 CarbonylContact O-C 3.54Å; H211-G272 WeakPolarHBondContact O-CA 3.37Å; H211-H273 WeakPolarHBondContact CE1-CB 3.4Å; H211-H273 AromaticContact CE1-CD2 3.31Å; H211-H273 PolarHBondContact CE1-CD2 2.98Å; H211-H273 AromaticContact CE1-CG 3.24Å; H211-H273 PolarHBondContact N-O 2.87Å; H211-H273 WeakPolarHBondContact ND1-CB 3.5Å; H211-H273 AromaticContact ND1-CD2 3.59Å; H211-H273 AromaticContact ND1-CG 3.68Å; H211-H273 PolarHBondContact O-N 3.07Å; H211-H275 AromaticContact CE1-NE2 3.51Å; H211-H275 AromaticContact CG-NE2 3.9Å; H211-H275 AromaticContact ND1-CD2 3.47Å; H211-H275 PolarHBondContact ND1-CD2 3.16Å; H211-H275 AromaticContact ND1-CE1 3.97Å; H211-H275 AromaticContact ND1-NE2 2.85Å; H211-H275 PolarHBondContact ND1-NE2 2.86Å
212	V	98.2	Very high	96.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	163.3	165.8	-64.2	0	0	0	0	109.2	P136 Y210 K232 F234 C271	P136-V212 HydrophobicContact CB-CG1 4.17Å; P136-V212 HydrophobicContact CB-CG2 4.5Å; Y210-V212 HydrophobicContact CD2-CG1 4.39Å; Y210-V212 HydrophobicContact CE2-CG1 4Å; V212-K232 HydrophobicContact CG2-CB 4.13Å; V212-K232 PolarHBondContact N-O 3.07Å; V212-K232 PolarHBondContact O-N 2.86Å; V212-K232 VanDerWaalsContact O-N 3.17Å; V212-F234 HydrophobicContact CG2-CD2 3.93Å; V212-F234 HydrophobicContact CG2-CE2 3.6Å; V212-C271 VanDerWaalsContact CG1-O 3.26Å; V212-C271 WeakPolarHBondContact CG1-O 3.45Å
213	L	96.8	Very high	96.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-94.4	130.6	177	-60.4	-179.1	0	0	0	110.7	N106 E108 Y129 W230 I231	N106-L213 WeakPolarHBondContact ND2-CB 3.47Å; E108-L213 HydrophobicContact CG-CD1 4.4Å; E108-L213 HydrophobicContact CG-CG 3.93Å; E108-L213 VanDerWaalsContact OE1-CD2 3.28Å; E108-L213 WeakPolarHBondContact OE1-CD2 3.46Å; E108-L213 VanDerWaalsContact OE1-CG 3.27Å; E108-L213 WeakPolarHBondContact OE1-CG 3.29Å; Y129-L213 PolarHBondContact N-O 2.82Å; L213-W230 HydrophobicContact CD1-CH2 4.34Å; L213-W230 HydrophobicContact CD2-CE3 4.45Å; L213-W230 HydrophobicContact CD2-CH2 3.69Å; L213-W230 HydrophobicContact CD2-CZ2 4.48Å; L213-W230 HydrophobicContact CD2-CZ3 3.67Å; L213-W230 HydrophobicContact CG-CH2 4.41Å; L213-I231 HydrophobicContact CD2-CG2 4.06Å
214	P	96.2	Very high	96.1	Very high	15 Å²	15	51.6 Å²	51.6	10%	0.097	28%	0.278	C	S	.	.			trans	-77.9	-179.2	160.3	37.3	-35.7	0	0	0	110.4	N106 Y129 W230 K232	N106-P214 WeakPolarHBondContact CB-O 3.41Å; N106-P214 PolarHBondContact ND2-O 3.4Å; Y129-P214 HydrophobicContact CD1-CB 3.77Å; Y129-P214 HydrophobicContact CG-CB 4.34Å; P214-W230 HydrophobicContact CG-CD2 4.47Å; P214-W230 HydrophobicContact CG-CG 4.34Å; P214-W230 VanDerWaalsContact CG-O 3.25Å; P214-W230 WeakPolarHBondContact CG-O 3.33Å; P214-K232 HydrophobicContact CB-CG 4.42Å; P214-K232 HydrophobicContact CG-CG 4.33Å
215	E	95.8	Very high	96.1	Very high	103 Å²	103	54.4 Å²	54.4	48%	0.481	29%	0.29	S	S	.	.	S	Bend	trans	-48.1	149.4	168.3	-70.5	-56.2	145.3	0	0	112.4	S105 S217 W230	S105-E215 WeakPolarHBondContact CA-OE1 3.48Å; S105-E215 WeakPolarHBondContact CB-OE1 3.29Å; S105-E215 PolarHBondContact OG-OE1 2.62Å; E215-S217 PolarHBondContact O-N 2.77Å; E215-W230 PolarHBondContact O-NE1 2.98Å
216	F	96.7	Very high	96.1	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.061	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-53.5	136.9	-179.1	-69.2	-67.9	0	0	0	111.5	L66 P70 K72 F100 N106 L148	L66-F216 HydrophobicContact CD1-CD1 4.49Å; L66-F216 HydrophobicContact CD1-CE1 4.07Å; P70-F216 HydrophobicContact CB-CD1 3.86Å; P70-F216 HydrophobicContact CB-CE1 3.9Å; P70-F216 HydrophobicContact CG-CB 4.37Å; P70-F216 HydrophobicContact CG-CD1 3.37Å; P70-F216 HydrophobicContact CG-CE1 3.87Å; P70-F216 HydrophobicContact CG-CG 4.09Å; K72-F216 HydrophobicContact CD-CD2 4.33Å; K72-F216 HydrophobicContact CD-CE2 4.4Å; F100-F216 HydrophobicContact CB-CE2 4.1Å; F100-F216 HydrophobicContact CB-CZ 4.47Å; F100-F216 AromaticContact CD1-CE2 3.76Å; F100-F216 HydrophobicContact CD1-CE2 3.76Å; F100-F216 AromaticContact CD1-CZ 3.47Å; F100-F216 HydrophobicContact CD1-CZ 3.47Å; F100-F216 VanDerWaalsContact CD1-CZ 3.47Å; F100-F216 AromaticContact CD2-CE2 3.89Å; F100-F216 HydrophobicContact CD2-CE2 3.89Å; F100-F216 HydrophobicContact CD2-CZ 4.4Å; F100-F216 HydrophobicContact CE1-CE2 4.16Å; F100-F216 AromaticContact CE1-CZ 3.71Å; F100-F216 HydrophobicContact CE1-CZ 3.71Å; F100-F216 HydrophobicContact CE2-CE2 4.33Å; F100-F216 AromaticContact CG-CE2 3.62Å; F100-F216 HydrophobicContact CG-CE2 3.62Å; F100-F216 AromaticContact CG-CZ 3.86Å; F100-F216 HydrophobicContact CG-CZ 3.86Å; F100-F216 HydrophobicContact CZ-CE2 4.46Å; F100-F216 HydrophobicContact CZ-CZ 4.35Å; N106-F216 HydrophobicContact CB-CD1 4.45Å; N106-F216 HydrophobicContact CB-CD2 4.14Å; N106-F216 HydrophobicContact CB-CE1 4.23Å; N106-F216 HydrophobicContact CB-CE2 3.92Å; N106-F216 HydrophobicContact CB-CG 4.43Å; N106-F216 HydrophobicContact CB-CZ 3.97Å; N106-F216 WeakPolarHBondContact OD1-CZ 3.22Å; L148-F216 HydrophobicContact CD1-CE1 3.82Å; L148-F216 HydrophobicContact CD1-CZ 4.04Å
217	S	95.6	Very high	96.2	Very high	37 Å²	37	53.6 Å²	53.6	26%	0.259	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-57.9	138.7	177.3	-175	0	0	0	0	111	E215 E219	E215-S217 PolarHBondContact O-N 2.77Å; S217-E219 VanDerWaalsContact C-N 3.27Å; S217-E219 VanDerWaalsContact CB-O 3.26Å; S217-E219 WeakPolarHBondContact CB-O 3.49Å; S217-E219 PolarHBondContact OG-N 3.47Å; S217-E219 PolarHBondContact OG-O 3.13Å
218	Q	94.1	Very high	96.2	Very high	186 Å²	186	57.3 Å²	57.3	87%	0.869	29%	0.292	S	S	*	.	S	Bend	trans	-78.4	-17.6	172	-61.3	-60.7	-38.4	0	0	111.9
219	E	95.1	Very high	96.3	Very high	132 Å²	132	62.2 Å²	62.2	62%	0.617	32%	0.319	S	S	*	.	S	Bend	trans	-113.8	149.1	177	-63.8	-176.4	-178.6	0	0	110.9	S217 L221	S217-E219 VanDerWaalsContact C-N 3.27Å; S217-E219 VanDerWaalsContact CB-O 3.26Å; S217-E219 WeakPolarHBondContact CB-O 3.49Å; S217-E219 PolarHBondContact OG-N 3.47Å; S217-E219 PolarHBondContact OG-O 3.13Å; E219-L221 PolarHBondContact O-N 3.13Å
220	P	97.2	Very high	96.2	Very high	58 Å²	58	62.1 Å²	62.1	38%	0.377	32%	0.316	S	S	.	.			trans	-57.4	130.2	175	-24.3	33.9	0	0	0	112.9	P68 V69 D222 K226	P68-P220 HydrophobicContact CB-CB 4.15Å; P68-P220 WeakPolarHBondContact O-CA 3.46Å; V69-P220 HydrophobicContact CG2-CB 3.97Å; V69-P220 HydrophobicContact CG2-CG 3.93Å; P220-D222 VanDerWaalsContact C-N 3.3Å; P220-D222 PolarHBondContact O-N 3.31Å; P220-D222 VanDerWaalsContact O-N 3.15Å; P220-K226 VanDerWaalsContact O-CD 3.24Å; P220-K226 WeakPolarHBondContact O-CD 3.35Å; P220-K226 PolarHBondContact O-NZ 2.97Å
221	L	96.7	Very high	96.2	Very high	15 Å²	15	62.9 Å²	62.9	8%	0.079	32%	0.32	C	S	.	.			trans	-87	67.3	174.7	-61.3	177.9	0	0	0	110.3	L67 P68 E219 K226 L227 W230	L67-L221 HydrophobicContact CD2-CB 3.65Å; L67-L221 HydrophobicContact CD2-CD1 3.77Å; L67-L221 HydrophobicContact CD2-CG 4.36Å; P68-L221 PolarHBondContact O-N 2.78Å; E219-L221 PolarHBondContact O-N 3.13Å; L221-K226 HydrophobicContact CD2-CB 4.07Å; L221-L227 HydrophobicContact CD1-CD1 4.38Å; L221-W230 HydrophobicContact CD1-CB 4.37Å; L221-W230 HydrophobicContact CD1-CD2 3.53Å; L221-W230 HydrophobicContact CD1-CE3 3.37Å; L221-W230 HydrophobicContact CD1-CG 4Å; L221-W230 HydrophobicContact CD1-CH2 4.34Å; L221-W230 HydrophobicContact CD1-CZ2 4.5Å; L221-W230 HydrophobicContact CD1-CZ3 3.79Å; L221-W230 HydrophobicContact CD2-CB 3.83Å; L221-W230 HydrophobicContact CD2-CG 4.12Å
222	D	95.6	Very high	96.2	Very high	105 Å²	105	65.2 Å²	65.2	56%	0.561	33%	0.33	S	S	*	.			trans	-91.4	2.7	-173.2	57.6	17.1	0	0	0	114.6	P68 P220 K226	P68-D222 HydrophobicContact CB-CB 4.17Å; P220-D222 VanDerWaalsContact C-N 3.3Å; P220-D222 PolarHBondContact O-N 3.31Å; P220-D222 VanDerWaalsContact O-N 3.15Å; D222-K226 VanDerWaalsContact OD1-CD 3.26Å; D222-K226 WeakPolarHBondContact OD1-CD 3.46Å; D222-K226 VanDerWaalsContact OD1-CE 3.24Å; D222-K226 WeakPolarHBondContact OD1-CE 3.19Å; D222-K226 IonicContact OD1-NZ 2.86Å; D222-K226 PolarHBondContact OD1-NZ 3.01Å; D222-K226 IonicContact OD2-NZ 3.53Å; D222-K226 PolarHBondContact OD2-NZ 2.81Å
223	S	96.2	Very high	96.2	Very high	48 Å²	48	69 Å²	69	34%	0.336	35%	0.349	S	S	.	.	S	Bend	trans	-140.7	153.6	178.7	86.6	0	0	0	0	111.7	E225 K226 L227	S223-E225 PolarHBondContact O-N 2.99Å; S223-E225 PolarHBondContact OG-N 3.14Å; S223-K226 PolarHBondContact O-N 3.14Å; S223-K226 PolarHBondContact OG-N 3.14Å; S223-K226 VanDerWaalsContact OG-N 3.12Å; S223-L227 PolarHBondContact O-N 2.85Å
224	G	94	Very high	96.2	Very high	40 Å²	40	70.6 Å²	70.6	41%	0.412	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-28.2	175.1	0	0	0	0	0	113	R228	G224-R228 WeakPolarHBondContact O-CB 3.31Å; G224-R228 WeakPolarHBondContact O-CG 3.09Å; G224-R228 PolarHBondContact O-N 3.26Å; G224-R228 PolarHBondContact O-NH1 2.6Å; G224-R228 VanDerWaalsContact O-NH1 3.13Å
225	E	96.3	Very high	96.2	Very high	122 Å²	122	74.8 Å²	74.8	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-70.9	-48.5	176.4	-173.3	-175	165.9	0	0	111.6	S223 L227 R228 N229	S223-E225 PolarHBondContact O-N 2.99Å; S223-E225 PolarHBondContact OG-N 3.14Å; E225-L227 VanDerWaalsContact C-N 3.29Å; E225-L227 PolarHBondContact O-N 3.25Å; E225-R228 PolarHBondContact O-N 2.97Å; E225-N229 VanDerWaalsContact O-CG 3.29Å; E225-N229 PolarHBondContact O-N 3.41Å; E225-N229 PolarHBondContact O-ND2 2.91Å
226	K	97.3	Very high	96.2	Very high	70 Å²	70	70.1 Å²	70.1	30%	0.304	35%	0.352	S	S	.	.	H	α-helix	trans	-58.7	-44	175.7	-71.8	-174.2	-175.1	169.8	0	111.2	P220 L221 D222 S223 R228 N229 W230	P220-K226 VanDerWaalsContact O-CD 3.24Å; P220-K226 WeakPolarHBondContact O-CD 3.35Å; P220-K226 PolarHBondContact O-NZ 2.97Å; L221-K226 HydrophobicContact CD2-CB 4.07Å; D222-K226 VanDerWaalsContact OD1-CD 3.26Å; D222-K226 WeakPolarHBondContact OD1-CD 3.46Å; D222-K226 VanDerWaalsContact OD1-CE 3.24Å; D222-K226 WeakPolarHBondContact OD1-CE 3.19Å; D222-K226 IonicContact OD1-NZ 2.86Å; D222-K226 PolarHBondContact OD1-NZ 3.01Å; D222-K226 IonicContact OD2-NZ 3.53Å; D222-K226 PolarHBondContact OD2-NZ 2.81Å; S223-K226 PolarHBondContact O-N 3.14Å; S223-K226 PolarHBondContact OG-N 3.14Å; S223-K226 VanDerWaalsContact OG-N 3.12Å; K226-R228 PolarHBondContact O-N 3Å; K226-N229 PolarHBondContact O-N 3.04Å; K226-W230 WeakPolarHBondContact O-CB 3.39Å; K226-W230 PolarHBondContact O-N 2.89Å
227	L	95.9	Very high	96.1	Very high	54 Å²	54	75.4 Å²	75.4	28%	0.283	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-47.2	175.7	179	60.2	0	0	0	111.8	L67 L221 S223 E225 N229 W230 I231	L67-L227 HydrophobicContact CD1-CD2 4.23Å; L67-L227 HydrophobicContact CD2-CD1 4.21Å; L221-L227 HydrophobicContact CD1-CD1 4.38Å; S223-L227 PolarHBondContact O-N 2.85Å; E225-L227 VanDerWaalsContact C-N 3.29Å; E225-L227 PolarHBondContact O-N 3.25Å; L227-N229 VanDerWaalsContact C-N 3.34Å; L227-N229 PolarHBondContact O-N 3.17Å; L227-W230 HydrophobicContact CD1-CE3 3.86Å; L227-W230 HydrophobicContact CD1-CZ3 4.14Å; L227-W230 PolarHBondContact O-N 3.01Å; L227-I231 HydrophobicContact CD1-CG2 4.2Å; L227-I231 WeakPolarHBondContact O-CG1 3.47Å; L227-I231 PolarHBondContact O-N 3.17Å; L227-I231 VanDerWaalsContact O-N 3.15Å
228	R	95.3	Very high	96.2	Very high	157 Å²	157	75.4 Å²	75.4	59%	0.592	38%	0.377	S	S	*	.	H	α-helix	trans	-62.6	-37.1	177.6	-80.8	-169.4	-58.2	-79.3	-0.8	113.2	G224 E225 K226 I231	G224-R228 WeakPolarHBondContact O-CB 3.31Å; G224-R228 WeakPolarHBondContact O-CG 3.09Å; G224-R228 PolarHBondContact O-N 3.26Å; G224-R228 PolarHBondContact O-NH1 2.6Å; G224-R228 VanDerWaalsContact O-NH1 3.13Å; E225-R228 PolarHBondContact O-N 2.97Å; K226-R228 PolarHBondContact O-N 3Å; R228-I231 WeakPolarHBondContact O-CG1 3.4Å
229	N	95.9	Very high	96.3	Very high	105 Å²	105	68.3 Å²	68.3	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-74.9	-29.3	179.4	-68.3	-15.4	0	0	0	112.3	E225 K226 L227 K232	E225-N229 VanDerWaalsContact O-CG 3.29Å; E225-N229 PolarHBondContact O-N 3.41Å; E225-N229 PolarHBondContact O-ND2 2.91Å; K226-N229 PolarHBondContact O-N 3.04Å; L227-N229 VanDerWaalsContact C-N 3.34Å; L227-N229 PolarHBondContact O-N 3.17Å; N229-K232 PolarHBondContact O-NZ 3.03Å
230	W	96.4	Very high	96.5	Very high	25 Å²	25	62 Å²	62	10%	0.095	32%	0.318	C	S	.	.	H	α-helix	trans	-71.6	-53.7	177.7	175.1	63.8	0	0	0	111.8	L66 N106 L213 P214 E215 L221 K226 L227 K232	L66-W230 HydrophobicContact CD1-CH2 4.15Å; N106-W230 WeakPolarHBondContact ND2-CZ2 3.35Å; L213-W230 HydrophobicContact CD1-CH2 4.34Å; L213-W230 HydrophobicContact CD2-CE3 4.45Å; L213-W230 HydrophobicContact CD2-CH2 3.69Å; L213-W230 HydrophobicContact CD2-CZ2 4.48Å; L213-W230 HydrophobicContact CD2-CZ3 3.67Å; L213-W230 HydrophobicContact CG-CH2 4.41Å; P214-W230 HydrophobicContact CG-CD2 4.47Å; P214-W230 HydrophobicContact CG-CG 4.34Å; P214-W230 VanDerWaalsContact CG-O 3.25Å; P214-W230 WeakPolarHBondContact CG-O 3.33Å; E215-W230 PolarHBondContact O-NE1 2.98Å; L221-W230 HydrophobicContact CD1-CB 4.37Å; L221-W230 HydrophobicContact CD1-CD2 3.53Å; L221-W230 HydrophobicContact CD1-CE3 3.37Å; L221-W230 HydrophobicContact CD1-CG 4Å; L221-W230 HydrophobicContact CD1-CH2 4.34Å; L221-W230 HydrophobicContact CD1-CZ2 4.5Å; L221-W230 HydrophobicContact CD1-CZ3 3.79Å; L221-W230 HydrophobicContact CD2-CB 3.83Å; L221-W230 HydrophobicContact CD2-CG 4.12Å; K226-W230 WeakPolarHBondContact O-CB 3.39Å; K226-W230 PolarHBondContact O-N 2.89Å; L227-W230 HydrophobicContact CD1-CE3 3.86Å; L227-W230 HydrophobicContact CD1-CZ3 4.14Å; L227-W230 PolarHBondContact O-N 3.01Å; W230-K232 WeakPolarHBondContact O-CE 3.41Å
231	I	97.4	Very high	96.5	Very high	16 Å²	16	59.3 Å²	59.3	8%	0.082	30%	0.3	C	S	.	.	S	Bend	trans	-62.3	152.1	-178.5	64.6	-172.3	0	0	0	112.7	H211 L213 L227 R228 M233	H211-I231 HydrophobicContact CB-CB 4.29Å; L213-I231 HydrophobicContact CD2-CG2 4.06Å; L227-I231 HydrophobicContact CD1-CG2 4.2Å; L227-I231 WeakPolarHBondContact O-CG1 3.47Å; L227-I231 PolarHBondContact O-N 3.17Å; L227-I231 VanDerWaalsContact O-N 3.15Å; R228-I231 WeakPolarHBondContact O-CG1 3.4Å; I231-M233 HydrophobicContact CD1-CE 3.57Å; I231-M233 HydrophobicContact CG1-CE 4.2Å
232	K	97.8	Very high	96.6	Very high	64 Å²	64	58.9 Å²	58.9	28%	0.278	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	112.6	-178.6	-58.5	-58.5	172.5	-153.1	0	111	Y129 H211 V212 P214 N229 W230 F234	Y129-K232 HydrophobicContact CD1-CG 3.97Å; Y129-K232 HydrophobicContact CD2-CB 3.96Å; Y129-K232 HydrophobicContact CD2-CG 3.8Å; Y129-K232 HydrophobicContact CE1-CD 4.49Å; Y129-K232 HydrophobicContact CE1-CG 4.18Å; Y129-K232 HydrophobicContact CE2-CB 4.34Å; Y129-K232 HydrophobicContact CE2-CD 4.47Å; Y129-K232 HydrophobicContact CE2-CG 4.02Å; Y129-K232 HydrophobicContact CG-CB 4.26Å; Y129-K232 HydrophobicContact CG-CG 3.76Å; H211-K232 CarbonylContact C-O 3.37Å; H211-K232 WeakPolarHBondContact CA-O 3.41Å; H211-K232 VanDerWaalsContact CB-O 3.31Å; H211-K232 WeakPolarHBondContact CB-O 3.44Å; V212-K232 HydrophobicContact CG2-CB 4.13Å; V212-K232 PolarHBondContact N-O 3.07Å; V212-K232 PolarHBondContact O-N 2.86Å; V212-K232 VanDerWaalsContact O-N 3.17Å; P214-K232 HydrophobicContact CB-CG 4.42Å; P214-K232 HydrophobicContact CG-CG 4.33Å; N229-K232 PolarHBondContact O-NZ 3.03Å; W230-K232 WeakPolarHBondContact O-CE 3.41Å; K232-F234 HydrophobicContact CB-CE2 3.72Å; K232-F234 HydrophobicContact CB-CZ 4.31Å; K232-F234 WeakPolarHBondContact O-CD2 3.32Å
233	M	97.1	Very high	96.7	Very high	79 Å²	79	53.9 Å²	53.9	39%	0.389	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.3	-176.5	-68.1	-76.8	-178.7	0	0	111.2	L209 Y210 H211 I231 H275	L209-M233 HydrophobicContact CD1-CB 4.37Å; L209-M233 HydrophobicContact CD2-SD 3.89Å; L209-M233 HydrophobicContact CG-SD 4.07Å; Y210-M233 CarbonylContact O-C 3.52Å; Y210-M233 WeakPolarHBondContact O-CA 3.47Å; H211-M233 HydrophobicContact CB-CE 4.25Å; H211-M233 HydrophobicContact CB-CG 4.48Å; H211-M233 HydrophobicContact CB-SD 3.8Å; I231-M233 HydrophobicContact CD1-CE 3.57Å; I231-M233 HydrophobicContact CG1-CE 4.2Å; M233-H275 VanDerWaalsContact CE-NE2 3.32Å; M233-H275 WeakPolarHBondContact CE-NE2 3.22Å
234	F	97.4	Very high	96.9	Very high	38 Å²	38	51.6 Å²	51.6	17%	0.167	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	167.4	176.8	-64.5	-78.4	0	0	0	110.1	Y129 P136 L209 Y210 V212 K232	Y129-F234 HydrophobicContact CD2-CE2 4.06Å; Y129-F234 AromaticContact CD2-CZ 3.88Å; Y129-F234 HydrophobicContact CD2-CZ 3.88Å; Y129-F234 AromaticContact CE2-CZ 3.91Å; Y129-F234 HydrophobicContact CE2-CZ 3.91Å; P136-F234 HydrophobicContact CB-CD2 4.07Å; P136-F234 HydrophobicContact CB-CE2 4.24Å; P136-F234 HydrophobicContact CB-CG 4.43Å; P136-F234 HydrophobicContact CG-CD1 4.36Å; P136-F234 HydrophobicContact CG-CD2 4.29Å; P136-F234 HydrophobicContact CG-CG 4.16Å; L209-F234 WeakPolarHBondContact CA-O 3.27Å; L209-F234 WeakPolarHBondContact CD1-O 3.48Å; Y210-F234 HydrophobicContact CD1-CB 4.28Å; Y210-F234 WeakPolarHBondContact CD1-O 3.4Å; Y210-F234 HydrophobicContact CE1-CB 3.57Å; Y210-F234 HydrophobicContact CE2-CB 4.27Å; Y210-F234 PolarHBondContact N-O 2.92Å; Y210-F234 PolarHBondContact O-N 2.8Å; V212-F234 HydrophobicContact CG2-CD2 3.93Å; V212-F234 HydrophobicContact CG2-CE2 3.6Å; K232-F234 HydrophobicContact CB-CE2 3.72Å; K232-F234 HydrophobicContact CB-CZ 4.31Å; K232-F234 WeakPolarHBondContact O-CD2 3.32Å
235	E	96.5	Very high	97.1	Very high	102 Å²	102	49.7 Å²	49.7	48%	0.477	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.9	173.9	-67.2	-175	-177	0	0	110.6	K207 S208 L209 T278	K207-E235 WeakPolarHBondContact CD-OE2 3.41Å; S208-E235 VanDerWaalsContact O-CA 3.31Å; S208-E235 WeakPolarHBondContact O-CA 3.28Å; L209-E235 HydrophobicContact CD1-CG 3.96Å; E235-T278 HydrophobicContact CG-CG2 4.23Å; E235-T278 WeakPolarHBondContact OE1-CG2 3.36Å
236	M	95.6	Very high	97.2	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.025	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.4	168.8	60.8	173.5	83	0	0	110.3	K207 S208 Y210 V240 N265 N270	K207-M236 WeakPolarHBondContact CA-O 3.16Å; S208-M236 PolarHBondContact N-O 2.9Å; S208-M236 PolarHBondContact O-N 2.95Å; Y210-M236 HydrophobicContact CD1-CB 4.32Å; Y210-M236 HydrophobicContact CD1-CE 3.32Å; Y210-M236 HydrophobicContact CD1-CG 3.88Å; Y210-M236 HydrophobicContact CD1-SD 4.42Å; Y210-M236 HydrophobicContact CD2-CE 3.6Å; Y210-M236 HydrophobicContact CE1-CB 3.85Å; Y210-M236 HydrophobicContact CE1-CE 3.37Å; Y210-M236 HydrophobicContact CE1-CG 3.91Å; Y210-M236 HydrophobicContact CE2-CE 3.64Å; Y210-M236 HydrophobicContact CG-CE 3.44Å; Y210-M236 VanDerWaalsContact CG-CE 3.44Å; M236-V240 HydrophobicContact CG-CG1 4.27Å; M236-V240 HydrophobicContact CG-CG2 3.59Å; M236-V240 HydrophobicContact SD-CB 4.25Å; M236-V240 HydrophobicContact SD-CG1 3.57Å; M236-V240 VanDerWaalsContact SD-CG1 3.57Å; M236-V240 HydrophobicContact SD-CG2 3.77Å; M236-N265 HydrophobicContact SD-CB 4.01Å; M236-N270 HydrophobicContact CB-CB 4.41Å; M236-N270 HydrophobicContact CE-CB 3.88Å
237	E	95.5	Very high	97.3	Very high	125 Å²	125	40.5 Å²	40.5	58%	0.584	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	148.5	178.9	-55.2	-161.4	152.7	0	0	111	K207	K207-E237 HydrophobicContact CD-CG 4.49Å; K207-E237 WeakPolarHBondContact CE-OE1 3.3Å; K207-E237 HydrophobicContact CG-CG 4.29Å; K207-E237 IonicContact NZ-OE1 3.92Å; K207-E237 PolarHBondContact NZ-OE1 3.19Å
238	S	96.3	Very high	97.4	Very high	37 Å²	37	38 Å²	38	26%	0.259	18%	0.181	S	C	.	.	S	Bend	trans	-60.2	147.2	172.2	55.6	0	0	0	0	112.3	Q203 E204 Q205 G206	Q203-S238 VanDerWaalsContact O-CB 3.29Å; Q203-S238 WeakPolarHBondContact O-CB 3.29Å; E204-S238 WeakPolarHBondContact O-CB 3.39Å; E204-S238 PolarHBondContact O-OG 3.41Å; Q205-S238 WeakPolarHBondContact CA-OG 3.38Å; G206-S238 PolarHBondContact N-OG 3.36Å; G206-S238 WeakPolarHBondContact O-CB 3.41Å; G206-S238 PolarHBondContact O-N 2.86Å; G206-S238 PolarHBondContact O-OG 2.96Å
239	P	97.4	Very high	97.5	Very high	38 Å²	38	31.8 Å²	31.8	25%	0.247	16%	0.159	C	C	.	.	P	Polyproline II helix	cis	-77	130.4	5	-19.6	35.2	0	0	0	113.8	P43 V202 Q203 Q266	P43-P239 HydrophobicContact CB-CB 4.34Å; V202-P239 HydrophobicContact CG1-CB 4.3Å; Q203-P239 WeakPolarHBondContact O-CA 3.36Å; P239-Q266 HydrophobicContact CB-CB 4.4Å; P239-Q266 PolarHBondContact O-N 3.3Å; P239-Q266 VanDerWaalsContact O-N 3.14Å
240	V	98	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.8	174	-178.8	0	0	0	0	109	V202 Q203 M236 C263	V202-V240 CarbonylContact C-O 3.45Å; V202-V240 WeakPolarHBondContact CA-O 3.5Å; Q203-V240 HydrophobicContact CB-CB 4.11Å; Q203-V240 PolarHBondContact N-O 2.87Å; Q203-V240 PolarHBondContact O-N 2.97Å; Q203-V240 VanDerWaalsContact O-N 3.14Å; M236-V240 HydrophobicContact CG-CG1 4.27Å; M236-V240 HydrophobicContact CG-CG2 3.59Å; M236-V240 HydrophobicContact SD-CB 4.25Å; M236-V240 HydrophobicContact SD-CG1 3.57Å; M236-V240 VanDerWaalsContact SD-CG1 3.57Å; M236-V240 HydrophobicContact SD-CG2 3.77Å; V240-C263 HydrophobicContact CG1-CB 3.74Å
241	I	98.3	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.1	-178.6	-57.3	78.9	0	0	0	107.2	P43 V200 I201 C263 F264 Q266	P43-I241 WeakPolarHBondContact O-CD1 3.21Å; P43-I241 WeakPolarHBondContact O-CG1 3.34Å; V200-I241 HydrophobicContact CG2-CG2 3.59Å; I201-I241 CarbonylContact O-C 3.45Å; I201-I241 WeakPolarHBondContact O-CA 3.4Å; I241-C263 CarbonylContact O-C 3.47Å; I241-C263 WeakPolarHBondContact O-CA 3.31Å; I241-C263 WeakPolarHBondContact O-CB 3.17Å; I241-F264 HydrophobicContact CB-CD1 4.31Å; I241-F264 HydrophobicContact CB-CD2 4.34Å; I241-F264 HydrophobicContact CB-CE1 3.85Å; I241-F264 HydrophobicContact CB-CE2 3.86Å; I241-F264 HydrophobicContact CB-CZ 3.61Å; I241-F264 HydrophobicContact CD1-CD2 4.49Å; I241-F264 HydrophobicContact CD1-CE2 4.21Å; I241-F264 HydrophobicContact CG1-CE2 4.19Å; I241-F264 HydrophobicContact CG1-CZ 4.28Å; I241-F264 HydrophobicContact CG2-CE1 3.72Å; I241-F264 HydrophobicContact CG2-CE2 4.25Å; I241-F264 HydrophobicContact CG2-CZ 3.52Å; I241-F264 PolarHBondContact N-O 3.45Å; I241-F264 PolarHBondContact O-N 3.31Å; I241-Q266 HydrophobicContact CD1-CB 4.23Å
242	S	98.5	Very high	97.1	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.9	176.4	-48.4	0	0	0	0	110	V200 I201 H262 C263	V200-S242 CarbonylContact C-O 3.51Å; V200-S242 VanDerWaalsContact CA-O 3.31Å; V200-S242 WeakPolarHBondContact CA-O 3.24Å; I201-S242 PolarHBondContact N-O 2.85Å; I201-S242 PolarHBondContact O-N 3.44Å; S242-H262 CarbonylContact C-O 3.56Å; S242-H262 VanDerWaalsContact CA-O 3.24Å; S242-H262 WeakPolarHBondContact CA-O 3.26Å; S242-C263 VanDerWaalsContact OG-CB 3.29Å; S242-C263 WeakPolarHBondContact OG-CB 3.1Å
243	V	98.7	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.7	175.7	-67.7	0	0	0	0	110	L46 I93 V110 G199 V200 F261 H262	L46-V243 HydrophobicContact CD1-CG1 4.13Å; L46-V243 HydrophobicContact CD2-CG1 3.91Å; I93-V243 HydrophobicContact CB-CB 3.97Å; I93-V243 HydrophobicContact CB-CG1 4.2Å; I93-V243 HydrophobicContact CB-CG2 4.35Å; I93-V243 HydrophobicContact CD1-CB 4.3Å; I93-V243 HydrophobicContact CD1-CG1 4.16Å; I93-V243 HydrophobicContact CG1-CB 4.39Å; V110-V243 HydrophobicContact CG1-CG2 3.65Å; G199-V243 WeakPolarHBondContact O-CA 3.35Å; V200-V243 HydrophobicContact CB-CG1 4.23Å; V200-V243 HydrophobicContact CG2-CG1 4.11Å; V243-F261 VanDerWaalsContact C-CD1 3.41Å; V243-F261 WeakPolarHBondContact O-CA 3.45Å; V243-H262 PolarHBondContact N-O 2.9Å; V243-H262 PolarHBondContact O-N 3.2Å; V243-H262 VanDerWaalsContact O-N 3.09Å
244	G	98.5	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.9	-163.9	-171.8	0	0	0	0	0	114	G198 G199 H260 F261	G198-G244 WeakPolarHBondContact CA-O 3.4Å; G199-G244 PolarHBondContact N-O 2.77Å; G199-G244 VanDerWaalsContact N-O 3.16Å; G199-G244 PolarHBondContact O-N 2.81Å; G244-H260 WeakPolarHBondContact CA-O 3.4Å; G244-F261 VanDerWaalsContact C-CE1 3.47Å; G244-F261 VanDerWaalsContact CA-CD1 3.43Å; G244-F261 VanDerWaalsContact N-CD1 3.32Å
245	I	98.6	Very high	96.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	154.4	-176.2	61.7	101.4	0	0	0	111.8	I57 Q151 F153 L197 V247 E259 H260 F261	I57-I245 HydrophobicContact CD1-CB 4.34Å; I57-I245 HydrophobicContact CD1-CG2 4.42Å; I57-I245 HydrophobicContact CG1-CG2 4.1Å; I57-I245 HydrophobicContact CG2-CD1 4.38Å; I57-I245 HydrophobicContact CG2-CG2 4.48Å; Q151-I245 HydrophobicContact CG-CD1 4Å; Q151-I245 HydrophobicContact CG-CG1 3.99Å; F153-I245 HydrophobicContact CB-CG2 3.77Å; L197-I245 CarbonylContact O-C 3.39Å; L197-I245 WeakPolarHBondContact O-CA 3.23Å; L197-I245 WeakPolarHBondContact O-CB 3.3Å; I245-V247 HydrophobicContact CD1-CG2 3.7Å; I245-E259 WeakPolarHBondContact O-CA 3.37Å; I245-H260 PolarHBondContact N-O 2.64Å; I245-H260 PolarHBondContact O-N 2.89Å; I245-H260 VanDerWaalsContact O-N 3.11Å; I245-F261 WeakPolarHBondContact O-CE2 3.42Å
246	A	98.6	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.9	168.5	0	0	0	0	0	110	I180 R181 L184 G196 L197 L258 F261	I180-A246 HydrophobicContact CG2-CB 4.29Å; R181-A246 HydrophobicContact CB-CB 4.37Å; L184-A246 HydrophobicContact CD1-CB 4.12Å; G196-A246 CarbonylContact C-O 3.57Å; G196-A246 WeakPolarHBondContact CA-O 3.34Å; L197-A246 PolarHBondContact N-O 3.15Å; L197-A246 PolarHBondContact O-N 3.3Å; A246-L258 CarbonylContact C-O 3.59Å; A246-L258 VanDerWaalsContact CA-O 3.28Å; A246-L258 WeakPolarHBondContact CA-O 3.49Å; A246-F261 HydrophobicContact CB-CE2 4.42Å
247	V	98.6	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.8	-175.9	-167.1	0	0	0	0	110	I57 R181 A194 V195 I245 H249 L258	I57-V247 HydrophobicContact CD1-CG2 3.77Å; R181-V247 WeakPolarHBondContact CG-O 3.42Å; A194-V247 HydrophobicContact CB-CG1 3.66Å; V195-V247 WeakPolarHBondContact O-CA 3.37Å; I245-V247 HydrophobicContact CD1-CG2 3.7Å; V247-H249 VanDerWaalsContact C-N 3.29Å; V247-H249 VanDerWaalsContact CG1-O 3.27Å; V247-H249 WeakPolarHBondContact CG1-O 3.5Å; V247-H249 PolarHBondContact O-N 2.78Å; V247-L258 HydrophobicContact CB-CD2 4.48Å; V247-L258 PolarHBondContact N-O 3.05Å
248	S	98.6	Very high	96.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-59.7	-31.5	-175.7	58	0	0	0	0	115.3	H185 A194 V195	H185-S248 WeakPolarHBondContact CA-O 3.39Å; H185-S248 WeakPolarHBondContact CB-O 3.36Å; H185-S248 PolarHBondContact ND1-O 3.17Å; A194-S248 WeakPolarHBondContact CA-OG 3.4Å; V195-S248 PolarHBondContact N-OG 2.91Å; V195-S248 PolarHBondContact O-N 3.17Å; V195-S248 PolarHBondContact O-OG 3.26Å
249	H	98.2	Very high	96.7	Very high	27 Å²	27	28.7 Å²	28.7	13%	0.125	15%	0.151	C	C	.	.	S	Bend	trans	-167.4	171.2	177.9	60.8	-88.8	0	0	0	109	L191 A194 V247 P251 L258	L191-H249 PolarHBondContact O-CE1 2.99Å; L191-H249 PolarHBondContact O-NE2 2.8Å; A194-H249 WeakPolarHBondContact CA-CE1 3.48Å; A194-H249 PolarHBondContact N-CE1 2.82Å; V247-H249 VanDerWaalsContact C-N 3.29Å; V247-H249 VanDerWaalsContact CG1-O 3.27Å; V247-H249 WeakPolarHBondContact CG1-O 3.5Å; V247-H249 PolarHBondContact O-N 2.78Å; H249-P251 WeakPolarHBondContact O-CD 3.47Å; H249-L258 VanDerWaalsContact C-CD2 3.43Å
250	D	97.2	Very high	96.7	Very high	46 Å²	46	26.9 Å²	26.9	25%	0.246	14%	0.139	C	C	.	.			trans	-86.9	98.2	175	-178.5	8.4	0	0	0	109.5	H252 H253 L254 G255 L256 L258	D250-H252 PolarHBondContact O-N 3.02Å; D250-H253 WeakPolarHBondContact OD2-CA 3.38Å; D250-L254 VanDerWaalsContact CG-N 3.35Å; D250-L254 WeakPolarHBondContact OD1-CB 3.28Å; D250-L254 PolarHBondContact OD1-N 3.49Å; D250-L254 PolarHBondContact OD2-N 3.18Å; D250-L254 VanDerWaalsContact OD2-N 3.12Å; D250-G255 PolarHBondContact OD2-N 2.92Å; D250-L256 WeakPolarHBondContact OD1-CG 3.37Å; D250-L256 PolarHBondContact OD2-N 3.02Å; D250-L258 HydrophobicContact CB-CD2 4.11Å
251	P	92.4	Very high	96.7	Very high	4 Å²	4	27 Å²	27	3%	0.026	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-69.8	136.1	180	33.5	-33.7	0	0	0	108.3	A194 H249 H253 L254 L256	A194-P251 HydrophobicContact CB-CB 4.16Å; A194-P251 HydrophobicContact CB-CG 3.95Å; H249-P251 WeakPolarHBondContact O-CD 3.47Å; P251-H253 PolarHBondContact O-N 3.04Å; P251-L254 HydrophobicContact CG-CD1 4.42Å; P251-L254 WeakPolarHBondContact O-CD1 3.17Å; P251-L254 WeakPolarHBondContact O-CG 3.27Å; P251-L256 HydrophobicContact CG-CD1 4.47Å
252	H	91	Very high	96.7	Very high	107 Å²	107	27 Å²	27	50%	0.495	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	63.9	14.3	176.5	-44.2	-73.8	0	0	0	116.5	Y4 D250 L254	Y4-H252 AromaticContact CD1-CD2 3.51Å; Y4-H252 AromaticContact CD1-NE2 3.84Å; Y4-H252 AromaticContact CE1-CD2 3.95Å; D250-H252 PolarHBondContact O-N 3.02Å; H252-L254 HydrophobicContact CB-CD2 4.31Å; H252-L254 HydrophobicContact CB-CG 4.23Å
253	H	92.5	Very high	96.7	Very high	149 Å²	149	26.7 Å²	26.7	69%	0.69	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	57.2	50.6	179.1	-48.9	-72.8	0	0	0	112.9	D250 P251 G255	D250-H253 WeakPolarHBondContact OD2-CA 3.38Å; P251-H253 PolarHBondContact O-N 3.04Å; H253-G255 PolarHBondContact O-N 3.29Å
254	L	94.4	Very high	96.7	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.138	C	C	.	.			trans	-80.3	-6.5	-176.6	-61.5	171.3	0	0	0	113.2	Y4 D250 P251 H252 L256 L295 R297	Y4-L254 HydrophobicContact CD2-CD1 3.78Å; Y4-L254 HydrophobicContact CE1-CD2 4.39Å; Y4-L254 HydrophobicContact CE2-CD1 3.68Å; Y4-L254 HydrophobicContact CE2-CD2 3.66Å; Y4-L254 HydrophobicContact CE2-CG 4.34Å; Y4-L254 HydrophobicContact CG-CD1 4.35Å; Y4-L254 WeakPolarHBondContact OH-CD2 3.17Å; D250-L254 VanDerWaalsContact CG-N 3.35Å; D250-L254 WeakPolarHBondContact OD1-CB 3.28Å; D250-L254 PolarHBondContact OD1-N 3.49Å; D250-L254 PolarHBondContact OD2-N 3.18Å; D250-L254 VanDerWaalsContact OD2-N 3.12Å; P251-L254 HydrophobicContact CG-CD1 4.42Å; P251-L254 WeakPolarHBondContact O-CD1 3.17Å; P251-L254 WeakPolarHBondContact O-CG 3.27Å; H252-L254 HydrophobicContact CB-CD2 4.31Å; H252-L254 HydrophobicContact CB-CG 4.23Å; L254-L256 HydrophobicContact CB-CD2 4.1Å; L254-L256 HydrophobicContact CB-CG 4.01Å; L254-L295 HydrophobicContact CD1-CD2 3.76Å; L254-R297 PolarHBondContact O-NE 3.31Å
255	G	94.5	Very high	96.7	Very high	49 Å²	49	27.6 Å²	27.6	51%	0.505	14%	0.142	S	C	.	.			trans	76.3	33	-177.2	0	0	0	0	0	111.8	D250 H253	D250-G255 PolarHBondContact OD2-N 2.92Å; H253-G255 PolarHBondContact O-N 3.29Å
256	L	95.4	Very high	96.5	Very high	15 Å²	15	31.2 Å²	31.2	8%	0.079	16%	0.159	C	C	.	.			trans	-71.5	140.5	-178.4	-57.9	178.5	0	0	0	111.1	D59 D250 P251 L254 L258 L295	D59-L256 HydrophobicContact CB-CD2 3.82Å; D59-L256 VanDerWaalsContact CG-CD2 3.48Å; D59-L256 WeakPolarHBondContact OD1-CD2 3.47Å; D250-L256 WeakPolarHBondContact OD1-CG 3.37Å; D250-L256 PolarHBondContact OD2-N 3.02Å; P251-L256 HydrophobicContact CG-CD1 4.47Å; L254-L256 HydrophobicContact CB-CD2 4.1Å; L254-L256 HydrophobicContact CB-CG 4.01Å; L256-L258 HydrophobicContact CB-CD2 4.38Å; L256-L295 HydrophobicContact CD1-CD1 3.41Å; L256-L295 VanDerWaalsContact CD1-CD1 3.41Å; L256-L295 HydrophobicContact CD2-CD1 4.19Å; L256-L295 HydrophobicContact CG-CD1 4.44Å
257	R	95.7	Very high	96.3	Very high	76 Å²	76	37.3 Å²	37.3	29%	0.287	19%	0.192	S	C	.	.			trans	-76	123.2	155.6	-176.7	170.4	-179.5	161.1	1.6	108.1	F63 Q151 E259 H260 H273	F63-R257 HydrophobicContact CD2-CB 4.4Å; F63-R257 HydrophobicContact CE2-CB 4.02Å; F63-R257 VanDerWaalsContact CE2-CD 3.42Å; F63-R257 HydrophobicContact CE2-CG 4.35Å; Q151-R257 PolarHBondContact NE2-O 2.8Å; Q151-R257 PolarHBondContact OE1-O 3.24Å; Q151-R257 VanDerWaalsContact OE1-O 3.1Å; R257-E259 VanDerWaalsContact C-N 3.34Å; R257-E259 WeakPolarHBondContact CG-O 3.5Å; R257-E259 PolarHBondContact NE-O 3.4Å; R257-E259 VanDerWaalsContact NE-O 3.09Å; R257-E259 PolarHBondContact O-N 2.8Å; R257-H260 HydrophobicContact CG-CB 4.27Å; R257-H273 PolarHBondContact NH1-CE1 3.17Å; R257-H273 VanDerWaalsContact NH1-CE1 3.31Å; R257-H273 PolarHBondContact NH2-CE1 2.73Å; R257-H273 PolarHBondContact NH2-NE2 2.84Å
258	L	97.7	Very high	96.2	Very high	45 Å²	45	39.9 Å²	39.9	24%	0.236	20%	0.204	C	C	.	.	S	Bend	trans	-77.8	-21	-169.6	-60.3	-176.9	0	0	0	113.5	R181 A246 V247 H249 D250 L256	R181-L258 HydrophobicContact CG-CB 3.98Å; A246-L258 CarbonylContact C-O 3.59Å; A246-L258 VanDerWaalsContact CA-O 3.28Å; A246-L258 WeakPolarHBondContact CA-O 3.49Å; V247-L258 HydrophobicContact CB-CD2 4.48Å; V247-L258 PolarHBondContact N-O 3.05Å; H249-L258 VanDerWaalsContact C-CD2 3.43Å; D250-L258 HydrophobicContact CB-CD2 4.11Å; L256-L258 HydrophobicContact CB-CD2 4.38Å
259	E	97.4	Very high	96	Very high	36 Å²	36	43.6 Å²	43.6	17%	0.168	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	127.8	170.8	67.2	-79.9	-169.3	0	0	109.9	R181 I245 R257	R181-E259 HydrophobicContact CB-CB 4.2Å; R181-E259 WeakPolarHBondContact CG-OE2 3.17Å; R181-E259 IonicContact CZ-OE1 3.6Å; R181-E259 IonicContact CZ-OE2 3.65Å; R181-E259 IonicContact NE-OE1 2.78Å; R181-E259 IonicContact NE-OE2 3.63Å; R181-E259 PolarHBondContact NE-OE2 3.18Å; R181-E259 IonicContact NH2-OE1 2.78Å; R181-E259 PolarHBondContact NH2-OE1 2.98Å; R181-E259 IonicContact NH2-OE2 3.55Å; I245-E259 WeakPolarHBondContact O-CA 3.37Å; R257-E259 VanDerWaalsContact C-N 3.34Å; R257-E259 WeakPolarHBondContact CG-O 3.5Å; R257-E259 PolarHBondContact NE-O 3.4Å; R257-E259 VanDerWaalsContact NE-O 3.09Å; R257-E259 PolarHBondContact O-N 2.8Å
260	H	98.1	Very high	96	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	102.3	-179	-162.9	-179.6	0	0	0	110.5	F63 A95 Q151 G244 I245 R257 H262 H273	F63-H260 AromaticContact CZ-CE1 3.79Å; A95-H260 WeakPolarHBondContact CB-CD2 3.41Å; A95-H260 VanDerWaalsContact CB-NE2 3.3Å; A95-H260 WeakPolarHBondContact CB-NE2 3.45Å; Q151-H260 HydrophobicContact CB-CB 4.36Å; G244-H260 WeakPolarHBondContact CA-O 3.4Å; I245-H260 PolarHBondContact N-O 2.64Å; I245-H260 PolarHBondContact O-N 2.89Å; I245-H260 VanDerWaalsContact O-N 3.11Å; R257-H260 HydrophobicContact CG-CB 4.27Å; H260-H262 AromaticContact CD2-CD2 3.83Å; H260-H262 AromaticContact CD2-NE2 3.71Å; H260-H262 AromaticContact NE2-CD2 3.57Å; H260-H262 AromaticContact NE2-CE1 3.84Å; H260-H262 AromaticContact NE2-NE2 2.97Å; H260-H262 PolarHBondContact NE2-NE2 3.23Å; H260-H273 AromaticContact CD2-CE1 3.5Å; H260-H273 PolarHBondContact CD2-CE1 2.92Å; H260-H273 VanDerWaalsContact CD2-CE1 3.5Å; H260-H273 AromaticContact CD2-ND1 3.75Å; H260-H273 AromaticContact NE2-CE1 3.68Å; H260-H273 AromaticContact NE2-ND1 3.58Å
261	F	98.5	Very high	96	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.5	177.9	-73.2	-98.2	0	0	0	110.5	D177 I201 V243 G244 I245 A246 C274 F289	D177-F261 HydrophobicContact CB-CD2 3.68Å; D177-F261 HydrophobicContact CB-CE2 4.01Å; D177-F261 HydrophobicContact CB-CG 4.41Å; I201-F261 HydrophobicContact CD1-CD1 4.06Å; I201-F261 HydrophobicContact CD1-CE1 3.82Å; I201-F261 HydrophobicContact CD1-CZ 4.16Å; I201-F261 HydrophobicContact CG1-CE1 4.37Å; V243-F261 VanDerWaalsContact C-CD1 3.41Å; V243-F261 WeakPolarHBondContact O-CA 3.45Å; G244-F261 VanDerWaalsContact C-CE1 3.47Å; G244-F261 VanDerWaalsContact CA-CD1 3.43Å; G244-F261 VanDerWaalsContact N-CD1 3.32Å; I245-F261 WeakPolarHBondContact O-CE2 3.42Å; A246-F261 HydrophobicContact CB-CE2 4.42Å; F261-C274 HydrophobicContact CB-CB 4.37Å; F261-C274 WeakPolarHBondContact O-CB 3.08Å; F261-C274 PolarHBondContact O-N 3.45Å; F261-C274 VanDerWaalsContact O-N 3.13Å; F261-F289 HydrophobicContact CE1-CE1 4.41Å; F261-F289 HydrophobicContact CZ-CE1 4.22Å
262	H	98.6	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	151.3	165.7	-74.9	-171.8	0	0	0	109.3	A95 G96 E108 M109 V110 S242 V243 H260 G272 H273	A95-H262 HydrophobicContact CB-CB 3.98Å; A95-H262 WeakPolarHBondContact CB-CD2 3.43Å; G96-H262 PolarHBondContact O-CE1 3.06Å; G96-H262 VanDerWaalsContact O-CE1 3.26Å; E108-H262 IonicContact OE2-CE1 3.56Å; E108-H262 PolarHBondContact OE2-CE1 2.92Å; E108-H262 IonicContact OE2-ND1 3.04Å; E108-H262 IonicContact OE2-NE2 3.61Å; E108-H262 PolarHBondContact OE2-NE2 2.86Å; M109-H262 PolarHBondContact O-ND1 2.98Å; V110-H262 HydrophobicContact CG2-CB 4.05Å; S242-H262 CarbonylContact C-O 3.56Å; S242-H262 VanDerWaalsContact CA-O 3.24Å; S242-H262 WeakPolarHBondContact CA-O 3.26Å; V243-H262 PolarHBondContact N-O 2.9Å; V243-H262 PolarHBondContact O-N 3.2Å; V243-H262 VanDerWaalsContact O-N 3.09Å; H260-H262 AromaticContact CD2-CD2 3.83Å; H260-H262 AromaticContact CD2-NE2 3.71Å; H260-H262 AromaticContact NE2-CD2 3.57Å; H260-H262 AromaticContact NE2-CE1 3.84Å; H260-H262 AromaticContact NE2-NE2 2.97Å; H260-H262 PolarHBondContact NE2-NE2 3.23Å; H262-G272 CarbonylContact C-O 3.43Å; H262-G272 VanDerWaalsContact CA-O 3.28Å; H262-G272 WeakPolarHBondContact CA-O 3.27Å; H262-G272 WeakPolarHBondContact CB-O 3.43Å; H262-H273 AromaticContact CD2-CG 3.84Å; H262-H273 AromaticContact CD2-ND1 3.31Å; H262-H273 PolarHBondContact CD2-ND1 2.88Å; H262-H273 VanDerWaalsContact CD2-ND1 3.31Å; H262-H273 AromaticContact NE2-CG 3.77Å; H262-H273 AromaticContact NE2-ND1 3.03Å; H262-H273 PolarHBondContact NE2-ND1 3.48Å
263	C	98.6	Very high	96.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	160.1	-171.5	65.2	0	0	0	0	113.2	V240 I241 S242 C271 G272 C274	V240-C263 HydrophobicContact CG1-CB 3.74Å; I241-C263 CarbonylContact O-C 3.47Å; I241-C263 WeakPolarHBondContact O-CA 3.31Å; I241-C263 WeakPolarHBondContact O-CB 3.17Å; S242-C263 VanDerWaalsContact OG-CB 3.29Å; S242-C263 WeakPolarHBondContact OG-CB 3.1Å; C263-C271 CarbonylContact O-C 3.5Å; C263-C271 WeakPolarHBondContact O-CA 3.26Å; C263-C271 VanDerWaalsContact O-CB 3.24Å; C263-C271 WeakPolarHBondContact O-CB 3.46Å; C263-G272 PolarHBondContact N-O 2.85Å; C263-G272 PolarHBondContact O-N 2.95Å; C263-C274 HydrophobicContact CB-CB 3.99Å
264	F	98.5	Very high	96.8	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155.4	171.2	59.6	-80.2	0	0	0	109.7	Y44 L46 V110 L125 I241 Q268 N270 C271	Y44-F264 WeakPolarHBondContact O-CZ 3.41Å; L46-F264 HydrophobicContact CD2-CE1 4.31Å; L46-F264 HydrophobicContact CD2-CZ 4Å; V110-F264 HydrophobicContact CG1-CD1 3.82Å; V110-F264 HydrophobicContact CG1-CE1 4.12Å; V110-F264 HydrophobicContact CG2-CD1 4.43Å; L125-F264 HydrophobicContact CD1-CB 3.66Å; L125-F264 HydrophobicContact CD1-CD1 4.31Å; L125-F264 HydrophobicContact CD1-CD2 4.12Å; L125-F264 HydrophobicContact CD1-CG 3.78Å; I241-F264 HydrophobicContact CB-CD1 4.31Å; I241-F264 HydrophobicContact CB-CD2 4.34Å; I241-F264 HydrophobicContact CB-CE1 3.85Å; I241-F264 HydrophobicContact CB-CE2 3.86Å; I241-F264 HydrophobicContact CB-CZ 3.61Å; I241-F264 HydrophobicContact CD1-CD2 4.49Å; I241-F264 HydrophobicContact CD1-CE2 4.21Å; I241-F264 HydrophobicContact CG1-CE2 4.19Å; I241-F264 HydrophobicContact CG1-CZ 4.28Å; I241-F264 HydrophobicContact CG2-CE1 3.72Å; I241-F264 HydrophobicContact CG2-CE2 4.25Å; I241-F264 HydrophobicContact CG2-CZ 3.52Å; I241-F264 PolarHBondContact N-O 3.45Å; I241-F264 PolarHBondContact O-N 3.31Å; F264-Q268 HydrophobicContact CD2-CG 4.26Å; F264-N270 WeakPolarHBondContact CA-O 3.3Å; F264-C271 HydrophobicContact CB-CB 3.74Å
265	N	97	Very high	96.7	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.08	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	157.8	172	71.2	-37.8	0	0	0	111.1	M236 D267 Q268 T269 N270	M236-N265 HydrophobicContact SD-CB 4.01Å; N265-D267 PolarHBondContact O-N 3.44Å; N265-D267 VanDerWaalsContact O-N 3.16Å; N265-Q268 WeakPolarHBondContact O-CA 3.36Å; N265-Q268 PolarHBondContact O-N 3.15Å; N265-Q268 PolarHBondContact OD1-N 3.2Å; N265-T269 PolarHBondContact ND2-OG1 2.94Å; N265-T269 PolarHBondContact OD1-N 3.02Å; N265-T269 PolarHBondContact OD1-OG1 3.09Å; N265-N270 PolarHBondContact N-O 2.97Å; N265-N270 VanDerWaalsContact N-O 3.12Å; N265-N270 PolarHBondContact OD1-N 3.18Å; N265-N270 PolarHBondContact OD1-O 2.89Å
266	Q	95.4	Very high	96.5	Very high	77 Å²	77	32.7 Å²	32.7	36%	0.36	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-40.9	-176.9	-173.4	178.4	10.1	0	0	113.8	S42 P43 P239 I241 Q268	S42-Q266 PolarHBondContact OG-NE2 3Å; P43-Q266 HydrophobicContact CB-CG 4.39Å; P239-Q266 HydrophobicContact CB-CB 4.4Å; P239-Q266 PolarHBondContact O-N 3.3Å; P239-Q266 VanDerWaalsContact O-N 3.14Å; I241-Q266 HydrophobicContact CD1-CB 4.23Å; Q266-Q268 PolarHBondContact O-N 2.64Å
267	D	94.5	Very high	96.4	Very high	128 Å²	128	32.1 Å²	32.1	68%	0.684	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.5	-179.8	-62.1	-31.6	0	0	0	113.8	N265 T269	N265-D267 PolarHBondContact O-N 3.44Å; N265-D267 VanDerWaalsContact O-N 3.16Å; D267-T269 VanDerWaalsContact C-N 3.27Å; D267-T269 HydrophobicContact CB-CG2 4.19Å; D267-T269 PolarHBondContact O-N 2.62Å
268	Q	95.3	Very high	96.2	Very high	53 Å²	53	31.2 Å²	31.2	25%	0.248	16%	0.163	C	C	.	.	S	Bend	trans	51.3	44.9	-177.3	-57.9	-176.8	-1.1	0	0	112.7	L125 L138 F264 N265 Q266	L125-Q268 HydrophobicContact CD1-CG 4.31Å; L138-Q268 HydrophobicContact CD1-CB 4.38Å; L138-Q268 VanDerWaalsContact CD1-O 3.26Å; L138-Q268 WeakPolarHBondContact CD1-O 3.39Å; L138-Q268 WeakPolarHBondContact CD2-O 3.45Å; F264-Q268 HydrophobicContact CD2-CG 4.26Å; N265-Q268 WeakPolarHBondContact O-CA 3.36Å; N265-Q268 PolarHBondContact O-N 3.15Å; N265-Q268 PolarHBondContact OD1-N 3.2Å; Q266-Q268 PolarHBondContact O-N 2.64Å
269	T	95.7	Very high	95.9	Very high	79 Å²	79	34 Å²	34	49%	0.485	17%	0.174	S	C	.	.	S	Bend	trans	-98.3	-19.7	172.1	56.5	0	0	0	0	112.1	N265 D267	N265-T269 PolarHBondContact ND2-OG1 2.94Å; N265-T269 PolarHBondContact OD1-N 3.02Å; N265-T269 PolarHBondContact OD1-OG1 3.09Å; D267-T269 VanDerWaalsContact C-N 3.27Å; D267-T269 HydrophobicContact CB-CG2 4.19Å; D267-T269 PolarHBondContact O-N 2.62Å
270	N	97.4	Very high	95.5	Very high	34 Å²	34	32.4 Å²	32.4	18%	0.182	17%	0.168	C	C	.	.			trans	-138.9	139.7	-179	-66.6	-69.6	0	0	0	110.9	P136 Y210 M236 F264 N265	P136-N270 WeakPolarHBondContact CG-OD1 3.25Å; Y210-N270 WeakPolarHBondContact OH-CB 3.4Å; Y210-N270 VanDerWaalsContact OH-CG 3.32Å; Y210-N270 PolarHBondContact OH-OD1 2.86Å; M236-N270 HydrophobicContact CB-CB 4.41Å; M236-N270 HydrophobicContact CE-CB 3.88Å; F264-N270 WeakPolarHBondContact CA-O 3.3Å; N265-N270 PolarHBondContact N-O 2.97Å; N265-N270 VanDerWaalsContact N-O 3.12Å; N265-N270 PolarHBondContact OD1-N 3.18Å; N265-N270 PolarHBondContact OD1-O 2.89Å
271	C	98.4	Very high	95.3	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164.1	168.7	69.5	0	0	0	0	111.4	V110 L125 F126 G127 L138 Y210 V212 C263 F264	V110-C271 HydrophobicContact CG2-CB 3.79Å; L125-C271 HydrophobicContact CB-CB 4.26Å; L125-C271 HydrophobicContact CD1-CB 4.36Å; F126-C271 PolarHBondContact O-SG 2.91Å; G127-C271 VanDerWaalsContact CA-SG 3.53Å; G127-C271 PolarHBondContact N-SG 3.31Å; G127-C271 VanDerWaalsContact N-SG 3.35Å; L138-C271 HydrophobicContact CD1-CB 3.95Å; Y210-C271 WeakPolarHBondContact CE2-O 3.18Å; V212-C271 VanDerWaalsContact CG1-O 3.26Å; V212-C271 WeakPolarHBondContact CG1-O 3.45Å; C263-C271 CarbonylContact O-C 3.5Å; C263-C271 WeakPolarHBondContact O-CA 3.26Å; C263-C271 VanDerWaalsContact O-CB 3.24Å; C263-C271 WeakPolarHBondContact O-CB 3.46Å; F264-C271 HydrophobicContact CB-CB 3.74Å
272	G	98.3	Very high	95.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-157.3	175.9	0	0	0	0	0	112.5	H211 H262 C263	H211-G272 CarbonylContact O-C 3.54Å; H211-G272 WeakPolarHBondContact O-CA 3.37Å; H262-G272 CarbonylContact C-O 3.43Å; H262-G272 VanDerWaalsContact CA-O 3.28Å; H262-G272 WeakPolarHBondContact CA-O 3.27Å; H262-G272 WeakPolarHBondContact CB-O 3.43Å; C263-G272 PolarHBondContact N-O 2.85Å; C263-G272 PolarHBondContact O-N 2.95Å
273	H	98.1	Very high	95	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.023	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124	-179.6	-177.1	97.9	0	0	0	111.8	E108 Y210 H211 R257 H260 H262 H275	E108-H273 HydrophobicContact CG-CB 4.14Å; Y210-H273 CarbonylContact C-O 3.59Å; Y210-H273 WeakPolarHBondContact CA-O 3.44Å; Y210-H273 VanDerWaalsContact CB-O 3.29Å; Y210-H273 WeakPolarHBondContact CB-O 3.49Å; H211-H273 WeakPolarHBondContact CE1-CB 3.4Å; H211-H273 AromaticContact CE1-CD2 3.31Å; H211-H273 PolarHBondContact CE1-CD2 2.98Å; H211-H273 AromaticContact CE1-CG 3.24Å; H211-H273 PolarHBondContact N-O 2.87Å; H211-H273 WeakPolarHBondContact ND1-CB 3.5Å; H211-H273 AromaticContact ND1-CD2 3.59Å; H211-H273 AromaticContact ND1-CG 3.68Å; H211-H273 PolarHBondContact O-N 3.07Å; R257-H273 PolarHBondContact NH1-CE1 3.17Å; R257-H273 VanDerWaalsContact NH1-CE1 3.31Å; R257-H273 PolarHBondContact NH2-CE1 2.73Å; R257-H273 PolarHBondContact NH2-NE2 2.84Å; H260-H273 AromaticContact CD2-CE1 3.5Å; H260-H273 PolarHBondContact CD2-CE1 2.92Å; H260-H273 VanDerWaalsContact CD2-CE1 3.5Å; H260-H273 AromaticContact CD2-ND1 3.75Å; H260-H273 AromaticContact NE2-CE1 3.68Å; H260-H273 AromaticContact NE2-ND1 3.58Å; H262-H273 AromaticContact CD2-CG 3.84Å; H262-H273 AromaticContact CD2-ND1 3.31Å; H262-H273 PolarHBondContact CD2-ND1 2.88Å; H262-H273 VanDerWaalsContact CD2-ND1 3.31Å; H262-H273 AromaticContact NE2-CG 3.77Å; H262-H273 AromaticContact NE2-ND1 3.03Å; H262-H273 PolarHBondContact NE2-ND1 3.48Å; H273-H275 AromaticContact CD2-NE2 3.81Å
274	C	94.6	Very high	94.9	Very high	15 Å²	15	40 Å²	40	10%	0.101	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	139.4	-175.7	-167.4	0	0	0	0	111.6	F261 C263	F261-C274 HydrophobicContact CB-CB 4.37Å; F261-C274 WeakPolarHBondContact O-CB 3.08Å; F261-C274 PolarHBondContact O-N 3.45Å; F261-C274 VanDerWaalsContact O-N 3.13Å; C263-C274 HydrophobicContact CB-CB 3.99Å
275	H	93.1	Very high	94.9	Very high	23 Å²	23	40.3 Å²	40.3	11%	0.106	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-91.7	171.9	-77.8	-86.1	0	0	0	112.1	K175 L209 H211 M233 H273	K175-H275 WeakPolarHBondContact CB-O 3.33Å; K175-H275 WeakPolarHBondContact CD-O 3.46Å; K175-H275 PolarHBondContact NZ-ND1 3.33Å; L209-H275 HydrophobicContact CB-CB 4.46Å; L209-H275 WeakPolarHBondContact O-CB 3.36Å; L209-H275 PolarHBondContact O-N 2.7Å; H211-H275 AromaticContact CE1-NE2 3.51Å; H211-H275 AromaticContact CG-NE2 3.9Å; H211-H275 AromaticContact ND1-CD2 3.47Å; H211-H275 PolarHBondContact ND1-CD2 3.16Å; H211-H275 AromaticContact ND1-CE1 3.97Å; H211-H275 AromaticContact ND1-NE2 2.85Å; H211-H275 PolarHBondContact ND1-NE2 2.86Å; M233-H275 VanDerWaalsContact CE-NE2 3.32Å; M233-H275 WeakPolarHBondContact CE-NE2 3.22Å; H273-H275 AromaticContact CD2-NE2 3.81Å
276	F	91.1	Very high	95	Very high	78 Å²	78	43.3 Å²	43.3	34%	0.342	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.2	-172.4	44.6	-93.2	0	0	0	111.1	K175 L209	K175-F276 HydrophobicContact CD-CD1 4.41Å; K175-F276 HydrophobicContact CG-CB 4.14Å; K175-F276 HydrophobicContact CG-CD1 4.21Å; L209-F276 HydrophobicContact CB-CD2 4.36Å; L209-F276 HydrophobicContact CB-CE2 4.29Å; L209-F276 WeakPolarHBondContact CB-O 3.48Å; L209-F276 HydrophobicContact CD2-CD2 4.44Å; L209-F276 HydrophobicContact CD2-CE1 3.91Å; L209-F276 HydrophobicContact CD2-CE2 3.65Å; L209-F276 HydrophobicContact CD2-CZ 3.34Å; L209-F276 PolarHBondContact N-O 2.87Å
277	D	93.3	Very high	95.1	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	145.6	166.3	61.1	89.1	0	0	0	111.6	R170 K207 G280 V283 Y285	R170-D277 IonicContact CZ-OD1 3.13Å; R170-D277 IonicContact CZ-OD2 3.57Å; R170-D277 IonicContact NE-OD1 3.42Å; R170-D277 PolarHBondContact NE-OD1 3.16Å; R170-D277 IonicContact NE-OD2 3.61Å; R170-D277 PolarHBondContact NE-OD2 3.41Å; R170-D277 IonicContact NH2-OD1 3.03Å; R170-D277 PolarHBondContact NH2-OD1 3.12Å; R170-D277 IonicContact NH2-OD2 2.87Å; K207-D277 VanDerWaalsContact O-CA 3.23Å; K207-D277 WeakPolarHBondContact O-CA 3.26Å; D277-G280 WeakPolarHBondContact OD1-CA 3.47Å; D277-G280 PolarHBondContact OD1-N 2.81Å; D277-V283 HydrophobicContact CB-CB 4.16Å; D277-V283 HydrophobicContact CB-CG2 3.68Å; D277-Y285 VanDerWaalsContact CB-OH 3.31Å; D277-Y285 WeakPolarHBondContact CB-OH 3.45Å; D277-Y285 PolarHBondContact OD2-OH 3.29Å
278	T	91.5	Very high	95.3	Very high	57 Å²	57	34 Å²	34	35%	0.35	18%	0.179	S	C	.	.	S	Bend	trans	-90.1	-8.9	-179.5	63.2	0	0	0	0	113	K207 L209 E235	K207-T278 WeakPolarHBondContact CB-OG1 3.41Å; K207-T278 PolarHBondContact O-N 3.2Å; K207-T278 VanDerWaalsContact O-N 3.16Å; L209-T278 HydrophobicContact CB-CG2 4.11Å; E235-T278 HydrophobicContact CG-CG2 4.23Å; E235-T278 WeakPolarHBondContact OE1-CG2 3.36Å
279	H	91.3	Very high	95.5	Very high	102 Å²	102	31.5 Å²	31.5	47%	0.472	17%	0.168	S	C	.	.			trans	-143.2	85.1	175.4	-162	86.6	0	0	0	112.5	T282 V283	H279-T282 PolarHBondContact CD2-OG1 2.94Å; H279-T282 PolarHBondContact O-N 3.49Å; H279-T282 PolarHBondContact O-OG1 2.96Å; H279-V283 PolarHBondContact O-N 2.94Å
280	G	88.6	Confident	95.6	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.031	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-53.2	-45.8	-175.9	0	0	0	0	0	115.9	R170 D277 T282 V283	R170-G280 WeakPolarHBondContact CB-O 3.25Å; R170-G280 PolarHBondContact N-O 3.35Å; D277-G280 WeakPolarHBondContact OD1-CA 3.47Å; D277-G280 PolarHBondContact OD1-N 2.81Å; G280-T282 PolarHBondContact O-N 2.79Å; G280-T282 VanDerWaalsContact O-N 3.08Å; G280-V283 VanDerWaalsContact O-CG1 3.26Å; G280-V283 WeakPolarHBondContact O-CG1 3.23Å; G280-V283 PolarHBondContact O-N 2.91Å; G280-V283 VanDerWaalsContact O-N 3.16Å
281	P	93.5	Very high	95.7	Very high	74 Å²	74	27 Å²	27	48%	0.481	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-62.1	-20.9	-175.2	-29	37.4	0	0	0	115.7	G169	G169-P281 WeakPolarHBondContact CA-O 3.39Å
282	T	93.9	Very high	95.7	Very high	76 Å²	76	26.9 Å²	26.9	47%	0.466	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-109.7	-0.9	179.5	66.4	0	0	0	0	113.2	H279 G280	H279-T282 PolarHBondContact CD2-OG1 2.94Å; H279-T282 PolarHBondContact O-N 3.49Å; H279-T282 PolarHBondContact O-OG1 2.96Å; G280-T282 PolarHBondContact O-N 2.79Å; G280-T282 VanDerWaalsContact O-N 3.08Å
283	V	96.6	Very high	95.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.147	C	C	.	.			trans	-72.7	144.4	-178	82.2	0	0	0	0	110.9	F26 S168 G169 R170 Q203 Q205 D277 H279 G280 Y285	F26-V283 HydrophobicContact CE1-CG1 4.03Å; S168-V283 WeakPolarHBondContact CA-O 3.34Å; G169-V283 PolarHBondContact N-O 2.98Å; R170-V283 HydrophobicContact CB-CG1 3.99Å; Q203-V283 HydrophobicContact CG-CG2 3.88Å; Q205-V283 WeakPolarHBondContact O-CG2 3.33Å; D277-V283 HydrophobicContact CB-CB 4.16Å; D277-V283 HydrophobicContact CB-CG2 3.68Å; H279-V283 PolarHBondContact O-N 2.94Å; G280-V283 VanDerWaalsContact O-CG1 3.26Å; G280-V283 WeakPolarHBondContact O-CG1 3.23Å; G280-V283 PolarHBondContact O-N 2.91Å; G280-V283 VanDerWaalsContact O-N 3.16Å; V283-Y285 HydrophobicContact CB-CE2 4.15Å; V283-Y285 HydrophobicContact CG1-CD2 4.09Å; V283-Y285 HydrophobicContact CG1-CE2 3.62Å; V283-Y285 HydrophobicContact CG2-CD2 3.98Å; V283-Y285 HydrophobicContact CG2-CE1 4.34Å; V283-Y285 HydrophobicContact CG2-CE2 3.33Å
284	S	97.8	Very high	95.7	Very high	10 Å²	10	30.8 Å²	30.8	7%	0.07	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142	162.8	66.5	0	0	0	0	110.7	V167 Q203 E204	V167-S284 WeakPolarHBondContact O-CA 3.34Å; Q203-S284 CarbonylContact C-O 3.56Å; E204-S284 WeakPolarHBondContact CB-OG 3.39Å; E204-S284 PolarHBondContact N-O 2.92Å; E204-S284 PolarHBondContact OE2-OG 3.39Å
285	Y	98.3	Very high	95.8	Very high	12 Å²	12	30.1 Å²	30.1	5%	0.047	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.7	178.4	-64.4	-83.5	0	0	0	110.5	F26 N166 V167 F176 I201 V202 Q203 D277 V283	F26-Y285 HydrophobicContact CE1-CD2 4.12Å; F26-Y285 HydrophobicContact CE1-CE2 4.33Å; F26-Y285 HydrophobicContact CZ-CD2 4.31Å; F26-Y285 HydrophobicContact CZ-CE2 4.44Å; N166-Y285 WeakPolarHBondContact CA-O 3.23Å; V167-Y285 HydrophobicContact CG2-CD2 4.06Å; V167-Y285 HydrophobicContact CG2-CG 4.43Å; V167-Y285 PolarHBondContact N-O 3.19Å; V167-Y285 PolarHBondContact O-N 3.01Å; F176-Y285 HydrophobicContact CB-CD2 4.29Å; F176-Y285 HydrophobicContact CB-CE1 4.41Å; F176-Y285 HydrophobicContact CB-CE2 3.93Å; F176-Y285 AromaticContact CD1-CD1 3.78Å; F176-Y285 HydrophobicContact CD1-CD1 3.78Å; F176-Y285 HydrophobicContact CD1-CD2 4.09Å; F176-Y285 HydrophobicContact CD1-CE1 4.17Å; F176-Y285 HydrophobicContact CD1-CE2 4.46Å; F176-Y285 AromaticContact CD1-CG 3.73Å; F176-Y285 HydrophobicContact CD1-CG 3.73Å; F176-Y285 HydrophobicContact CD2-CD2 4.21Å; F176-Y285 HydrophobicContact CE1-CD1 4.14Å; F176-Y285 HydrophobicContact CE1-CD2 4.48Å; F176-Y285 AromaticContact CE1-CG 3.88Å; F176-Y285 HydrophobicContact CE1-CG 3.88Å; F176-Y285 HydrophobicContact CG-CD1 4.36Å; F176-Y285 AromaticContact CG-CD2 3.93Å; F176-Y285 HydrophobicContact CG-CD2 3.93Å; F176-Y285 HydrophobicContact CG-CE2 4.1Å; F176-Y285 HydrophobicContact CG-CG 4.06Å; F176-Y285 HydrophobicContact CZ-CG 4.33Å; I201-Y285 HydrophobicContact CG2-CD1 3.81Å; V202-Y285 CarbonylContact O-C 3.53Å; V202-Y285 WeakPolarHBondContact O-CA 3.42Å; Q203-Y285 HydrophobicContact CB-CD1 3.7Å; Q203-Y285 HydrophobicContact CB-CE1 3.5Å; Q203-Y285 VanDerWaalsContact CB-CE1 3.5Å; Q203-Y285 HydrophobicContact CG-CD1 3.91Å; Q203-Y285 HydrophobicContact CG-CE1 3.48Å; Q203-Y285 VanDerWaalsContact CG-CE1 3.48Å; Q203-Y285 PolarHBondContact OE1-OH 2.85Å; D277-Y285 VanDerWaalsContact CB-OH 3.31Å; D277-Y285 WeakPolarHBondContact CB-OH 3.45Å; D277-Y285 PolarHBondContact OD2-OH 3.29Å; V283-Y285 HydrophobicContact CB-CE2 4.15Å; V283-Y285 HydrophobicContact CG1-CD2 4.09Å; V283-Y285 HydrophobicContact CG1-CE2 3.62Å; V283-Y285 HydrophobicContact CG2-CD2 3.98Å; V283-Y285 HydrophobicContact CG2-CE1 4.34Å; V283-Y285 HydrophobicContact CG2-CE2 3.33Å
286	R	98.4	Very high	96.1	Very high	77 Å²	77	29 Å²	29	29%	0.291	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.2	165.2	-170.8	178.6	-45.1	-155.3	0.3	109.7	E164 L165 N166 I201 V202 E204 Y288	E164-R286 IonicContact OE1-NH1 2.69Å; L165-R286 CarbonylContact O-C 3.52Å; L165-R286 VanDerWaalsContact O-CA 3.26Å; L165-R286 WeakPolarHBondContact O-CA 3.44Å; N166-R286 WeakPolarHBondContact OD1-CG 3.38Å; N166-R286 PolarHBondContact OD1-NE 3.41Å; I201-R286 CarbonylContact C-O 3.57Å; I201-R286 WeakPolarHBondContact CA-O 3.13Å; V202-R286 PolarHBondContact N-O 3.31Å; V202-R286 PolarHBondContact O-N 2.86Å; E204-R286 HydrophobicContact CG-CB 4.37Å; E204-R286 IonicContact OE1-CZ 3.94Å; E204-R286 IonicContact OE1-NE 3.25Å; E204-R286 PolarHBondContact OE1-NE 3.29Å; E204-R286 IonicContact OE1-NH2 2.64Å; E204-R286 PolarHBondContact OE1-NH2 3.15Å; R286-Y288 WeakPolarHBondContact CD-OH 3.3Å; R286-Y288 HydrophobicContact CG-CE2 3.98Å
287	G	98.5	Very high	96.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.2	177.7	0	0	0	0	0	112.3	E164 L165 V200	E164-G287 CarbonylContact C-O 3.54Å; E164-G287 WeakPolarHBondContact CA-O 3.4Å; L165-G287 PolarHBondContact N-O 3.26Å; L165-G287 PolarHBondContact O-N 3.02Å; V200-G287 CarbonylContact O-C 3.55Å; V200-G287 VanDerWaalsContact O-CA 3.28Å; V200-G287 WeakPolarHBondContact O-CA 3.42Å
288	Y	98.7	Very high	96.6	Very high	9 Å²	9	26.7 Å²	26.7	4%	0.035	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.4	170.7	-62.6	-78.1	0	0	0	109.5	T34 P37 Y44 L51 V162 I163 E164 G199 V200 R286	T34-Y288 HydrophobicContact CG2-CD1 4.45Å; T34-Y288 HydrophobicContact CG2-CE1 4.07Å; P37-Y288 HydrophobicContact CG-CD1 4.26Å; P37-Y288 HydrophobicContact CG-CD2 4.02Å; P37-Y288 HydrophobicContact CG-CE1 3.89Å; P37-Y288 HydrophobicContact CG-CE2 3.63Å; P37-Y288 HydrophobicContact CG-CG 4.32Å; Y44-Y288 HydrophobicContact CE1-CD2 4.24Å; Y44-Y288 AromaticContact CE1-CE2 3.93Å; Y44-Y288 HydrophobicContact CE1-CE2 3.93Å; Y44-Y288 AromaticContact CZ-CE2 4Å; Y44-Y288 WeakPolarHBondContact OH-CE2 3.45Å; L51-Y288 WeakPolarHBondContact CD1-O 3.42Å; V162-Y288 HydrophobicContact CG2-CD1 3.88Å; I163-Y288 CarbonylContact O-C 3.59Å; I163-Y288 VanDerWaalsContact O-CA 3.26Å; I163-Y288 WeakPolarHBondContact O-CA 3.49Å; E164-Y288 HydrophobicContact CB-CD1 3.93Å; E164-Y288 HydrophobicContact CB-CE1 3.7Å; E164-Y288 HydrophobicContact CG-CD1 4.13Å; E164-Y288 HydrophobicContact CG-CE1 3.52Å; E164-Y288 WeakPolarHBondContact OE1-CE1 3.39Å; E164-Y288 PolarHBondContact OE1-OH 2.89Å; G199-Y288 VanDerWaalsContact CA-O 3.23Å; G199-Y288 WeakPolarHBondContact CA-O 3.45Å; V200-Y288 HydrophobicContact CG1-CD2 4.21Å; V200-Y288 PolarHBondContact N-O 3.02Å; V200-Y288 PolarHBondContact O-N 2.85Å; R286-Y288 WeakPolarHBondContact CD-OH 3.3Å; R286-Y288 HydrophobicContact CG-CE2 3.98Å
289	F	98.7	Very high	96.9	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.1	-173.8	-55.1	-81.7	0	0	0	113	I163 L165 I180 L197 G198 I201 F261	I163-F289 HydrophobicContact CB-CB 4.4Å; I163-F289 PolarHBondContact N-O 3.17Å; I163-F289 PolarHBondContact O-N 2.61Å; L165-F289 HydrophobicContact CB-CE2 4.34Å; L165-F289 HydrophobicContact CD2-CE2 4.34Å; I180-F289 HydrophobicContact CD1-CE1 4.39Å; I180-F289 HydrophobicContact CD1-CE2 4.11Å; I180-F289 HydrophobicContact CD1-CZ 3.59Å; L197-F289 HydrophobicContact CD1-CB 4.4Å; G198-F289 WeakPolarHBondContact O-CA 3.27Å; I201-F289 HydrophobicContact CD1-CE1 4.28Å; I201-F289 HydrophobicContact CD1-CZ 3.94Å; I201-F289 HydrophobicContact CG1-CE1 4.04Å; I201-F289 HydrophobicContact CG1-CZ 3.58Å; F261-F289 HydrophobicContact CE1-CE1 4.41Å; F261-F289 HydrophobicContact CZ-CE1 4.22Å
290	S	98.4	Very high	97.1	Very high	10 Å²	10	25.2 Å²	25.2	7%	0.07	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	155.5	166.9	-76.2	0	0	0	0	110.6	L51 L197 G198	L51-S290 VanDerWaalsContact CB-OG 3.29Å; L51-S290 WeakPolarHBondContact CB-OG 3.47Å; L51-S290 WeakPolarHBondContact O-CB 3.22Å; L51-S290 PolarHBondContact O-OG 2.9Å; L197-S290 WeakPolarHBondContact CA-O 3.29Å; G198-S290 PolarHBondContact N-O 3.42Å; G198-S290 VanDerWaalsContact N-O 3.08Å; G198-S290 PolarHBondContact O-N 3.48Å
291	I	98.5	Very high	97.3	Very high	9 Å²	9	26.1 Å²	26.1	5%	0.046	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.2	178.8	-53.6	169.7	0	0	0	108.8	K8 P9 L11 V14 V195 L197	K8-I291 HydrophobicContact CB-CG2 4.46Å; K8-I291 HydrophobicContact CG-CB 4.34Å; K8-I291 HydrophobicContact CG-CG2 3.85Å; P9-I291 VanDerWaalsContact O-CD1 3.32Å; P9-I291 WeakPolarHBondContact O-CD1 3.38Å; L11-I291 HydrophobicContact CD2-CD1 3.77Å; L11-I291 HydrophobicContact CD2-CG1 4Å; V14-I291 HydrophobicContact CB-CD1 4.22Å; V14-I291 HydrophobicContact CG2-CD1 3.57Å; V14-I291 HydrophobicContact CG2-CG1 4.31Å; V195-I291 HydrophobicContact CG1-CG2 4.37Å; L197-I291 HydrophobicContact CD2-CB 4.29Å; L197-I291 HydrophobicContact CD2-CG1 3.72Å
292	A	98.3	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	141.5	174.3	0	0	0	0	0	111.6	L6 G55 I57 F153 G196	L6-A292 HydrophobicContact CD1-CB 3.76Å; G55-A292 CarbonylContact O-C 3.5Å; G55-A292 WeakPolarHBondContact O-CA 3.12Å; I57-A292 HydrophobicContact CD1-CB 4.03Å; I57-A292 HydrophobicContact CG1-CB 3.69Å; F153-A292 HydrophobicContact CD2-CB 4.49Å; F153-A292 HydrophobicContact CE2-CB 4.06Å; G196-A292 PolarHBondContact O-N 3.03Å
293	E	97.6	Very high	95.5	Very high	29 Å²	29	36.4 Å²	36.4	14%	0.136	18%	0.181	C	C	.	.	S	Bend	trans	-93.8	-27.1	175.6	-71	139.2	-153.9	0	0	112.3	L6 K8 E54 G55	L6-E293 PolarHBondContact N-O 2.78Å; K8-E293 HydrophobicContact CD-CG 3.61Å; K8-E293 WeakPolarHBondContact CE-OE1 3.48Å; K8-E293 HydrophobicContact CG-CG 4.32Å; K8-E293 IonicContact NZ-OE1 2.97Å; K8-E293 PolarHBondContact NZ-OE1 3.38Å; E54-E293 WeakPolarHBondContact CB-OE2 3.32Å; G55-E293 PolarHBondContact O-N 3.3Å
294	H	97.9	Very high	95.5	Very high	58 Å²	58	38.2 Å²	38.2	27%	0.269	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155	-174.7	-59.4	96.3	0	0	0	111.4	L3 Y4 L6 G55 V56 I57	L3-H294 HydrophobicContact CD1-CB 3.92Å; L3-H294 HydrophobicContact CG-CB 4.48Å; Y4-H294 CarbonylContact O-C 3.56Å; Y4-H294 VanDerWaalsContact O-CA 3.27Å; Y4-H294 WeakPolarHBondContact O-CA 3.5Å; L6-H294 WeakPolarHBondContact CD1-O 3.21Å; G55-H294 PolarHBondContact O-N 3.19Å; V56-H294 WeakPolarHBondContact CA-O 3.34Å; V56-H294 HydrophobicContact CG1-CB 4.23Å; V56-H294 HydrophobicContact CG2-CB 4.32Å; I57-H294 PolarHBondContact N-O 2.85Å
295	L	98.3	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.3	168.7	-175.9	152.4	0	0	0	109	L3 Y4 L6 I57 L254 L256 R297	L3-L295 WeakPolarHBondContact CA-O 3.39Å; Y4-L295 HydrophobicContact CD2-CD2 3.93Å; Y4-L295 PolarHBondContact N-O 3.06Å; Y4-L295 PolarHBondContact O-N 2.84Å; L6-L295 HydrophobicContact CD1-CB 4.17Å; L6-L295 HydrophobicContact CD2-CB 3.98Å; L6-L295 HydrophobicContact CD2-CD1 4.49Å; L6-L295 HydrophobicContact CG-CB 4.07Å; I57-L295 HydrophobicContact CG2-CD1 4.36Å; I57-L295 HydrophobicContact CG2-CG 4.42Å; I57-L295 CarbonylContact O-C 3.51Å; I57-L295 VanDerWaalsContact O-CA 3.29Å; I57-L295 WeakPolarHBondContact O-CA 3.26Å; L254-L295 HydrophobicContact CD1-CD2 3.76Å; L256-L295 HydrophobicContact CD1-CD1 3.41Å; L256-L295 VanDerWaalsContact CD1-CD1 3.41Å; L256-L295 HydrophobicContact CD2-CD1 4.19Å; L256-L295 HydrophobicContact CG-CD1 4.44Å; L295-R297 HydrophobicContact CD2-CB 4.11Å
296	L	98	Very high	95.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112.8	176	179.5	64.1	0	0	0	109.5	M1 L3 V56 I57 C58 D59 A85 I298	M1-L296 HydrophobicContact CE-CD1 4.11Å; M1-L296 HydrophobicContact CG-CD1 3.61Å; M1-L296 HydrophobicContact SD-CD1 3.89Å; L3-L296 HydrophobicContact CD1-CB 4.1Å; L3-L296 HydrophobicContact CD1-CD1 4.15Å; V56-L296 HydrophobicContact CG1-CB 3.95Å; I57-L296 PolarHBondContact O-N 2.89Å; C58-L296 WeakPolarHBondContact CA-O 3.38Å; D59-L296 PolarHBondContact N-O 3.37Å; A85-L296 HydrophobicContact CB-CD2 3.9Å; L296-I298 HydrophobicContact CD1-CG1 4.45Å; L296-I298 HydrophobicContact CD2-CD1 3.96Å; L296-I298 HydrophobicContact CD2-CG1 4.34Å; L296-I298 HydrophobicContact CG-CD1 4.17Å; L296-I298 HydrophobicContact CG-CG1 3.99Å
297	R	97.8	Very high	95	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.011	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.1	176.3	-171.8	72.1	-177.6	94.6	-6.4	110.4	M1 S2 Y4 D59 G61 L254 L295 Q300	M1-R297 CarbonylContact C-O 3.57Å; M1-R297 VanDerWaalsContact CA-O 3.24Å; M1-R297 WeakPolarHBondContact CA-O 3.28Å; S2-R297 PolarHBondContact N-O 3.45Å; S2-R297 PolarHBondContact O-N 2.92Å; Y4-R297 HydrophobicContact CE2-CB 3.99Å; D59-R297 WeakPolarHBondContact O-CA 3.14Å; D59-R297 PolarHBondContact O-NH1 2.87Å; D59-R297 VanDerWaalsContact O-NH1 3.07Å; D59-R297 VanDerWaalsContact OD2-CD 3.22Å; D59-R297 WeakPolarHBondContact OD2-CD 3.45Å; D59-R297 IonicContact OD2-CZ 3.17Å; D59-R297 IonicContact OD2-NE 2.6Å; D59-R297 PolarHBondContact OD2-NE 3.38Å; D59-R297 VanDerWaalsContact OD2-NE 3.08Å; D59-R297 IonicContact OD2-NH1 2.89Å; D59-R297 PolarHBondContact OD2-NH1 2.78Å; D59-R297 IonicContact OD2-NH2 3.63Å; G61-R297 PolarHBondContact O-NH1 3.3Å; G61-R297 PolarHBondContact O-NH2 3.12Å; L254-R297 PolarHBondContact O-NE 3.31Å; L295-R297 HydrophobicContact CD2-CB 4.11Å; R297-Q300 HydrophobicContact CG-CB 4.05Å
298	I	98	Very high	94.8	Very high	28 Å²	28	41.6 Å²	41.6	14%	0.144	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.3	-179.5	-54.1	-177.4	0	0	0	109.8	M1 D59 V60 G61 V81 L296	M1-I298 HydrophobicContact CG-CG1 4.28Å; D59-I298 PolarHBondContact O-N 3.4Å; V60-I298 WeakPolarHBondContact CA-O 3.5Å; V60-I298 HydrophobicContact CB-CB 4.34Å; V60-I298 HydrophobicContact CG1-CB 4.05Å; V60-I298 HydrophobicContact CG1-CG2 4.08Å; V60-I298 HydrophobicContact CG2-CB 4.12Å; V60-I298 HydrophobicContact CG2-CD1 4.02Å; V60-I298 HydrophobicContact CG2-CG1 4.32Å; G61-I298 PolarHBondContact N-O 2.98Å; V81-I298 HydrophobicContact CG1-CD1 4.5Å; V81-I298 HydrophobicContact CG2-CD1 4.5Å; L296-I298 HydrophobicContact CD1-CG1 4.45Å; L296-I298 HydrophobicContact CD2-CD1 3.96Å; L296-I298 HydrophobicContact CD2-CG1 4.34Å; L296-I298 HydrophobicContact CG-CD1 4.17Å; L296-I298 HydrophobicContact CG-CG1 3.99Å
299	D	96.9	Very high	94.5	Very high	55 Å²	55	43.7 Å²	43.7	29%	0.294	22%	0.224	S	C	.	.	S	Bend	trans	55	55.9	177.6	-164.5	30.4	0	0	0	112.9	Y65 K74 Y76	Y65-D299 WeakPolarHBondContact CE2-O 3.07Å; Y65-D299 VanDerWaalsContact CE2-OD2 3.32Å; Y65-D299 WeakPolarHBondContact CE2-OD2 3.2Å; Y65-D299 PolarHBondContact OH-O 2.88Å; Y65-D299 PolarHBondContact OH-OD1 3.35Å; K74-D299 VanDerWaalsContact NZ-CG 3.3Å; K74-D299 IonicContact NZ-OD1 2.91Å; K74-D299 PolarHBondContact NZ-OD1 2.95Å; K74-D299 IonicContact NZ-OD2 2.62Å; K74-D299 PolarHBondContact NZ-OD2 3.1Å; Y76-D299 HydrophobicContact CE1-CB 4.04Å; Y76-D299 WeakPolarHBondContact CE1-OD2 3.14Å; Y76-D299 PolarHBondContact OH-OD2 3.23Å
300	Q	95.6	Very high	94.2	Very high	74 Å²	74	46.8 Å²	46.8	35%	0.346	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-67.4	131.9	171.9	-174.4	179.9	-1.9	0	0	109.8	R297 S302	R297-Q300 HydrophobicContact CG-CB 4.05Å; Q300-S302 PolarHBondContact O-N 2.75Å
301	P	93.2	Very high	93.9	Very high	22 Å²	22	49.6 Å²	49.6	14%	0.143	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-53.2	136.8	173.9	-25.4	32.6	0	0	0	112.3	D64 Y65 K303	D64-P301 HydrophobicContact CB-CB 4.41Å; D64-P301 HydrophobicContact CB-CG 3.93Å; D64-P301 WeakPolarHBondContact OD2-CG 3.49Å; Y65-P301 HydrophobicContact CD1-CG 4.3Å; Y65-P301 HydrophobicContact CE1-CB 3.96Å; Y65-P301 HydrophobicContact CE1-CG 3.65Å; P301-K303 PolarHBondContact O-N 2.96Å
302	S	86.7	Confident	93.5	Very high	112 Å²	112	53 Å²	53	78%	0.783	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-63.9	131	165.3	54	0	0	0	0	108.8	Q300	Q300-S302 PolarHBondContact O-N 2.75Å
303	K	64.2	Low	93.1	Very high	254 Å²	254	57.8 Å²	57.8	100%	1.104	29%	0.294	S	S	*	.			trans	-59.8	0	170.2	-69.3	-174.7	177.9	-178.6	0	111.6	P301	P301-K303 PolarHBondContact O-N 2.96Å

Retrieved 303 of 303 residues in 597.5 ms (Link to these results)

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