A0A077ZK56_TRITR Loading...

Hydrolase like and Hydrolase 6 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK56, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 250 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	69.6	Low	94.6	Very high	148 Å²	148	40.2 Å²	40.2	73%	0.729	21%	0.208	S	C	*	.				0	145.5	0	-170.2	176.2	-175.9	0	0	107.4	E194 E216	M1-E194 HydrophobicContact CE-CB 4.46Å; M1-E194 WeakPolarHBondContact CE-O 3.13Å; M1-E216 HydrophobicContact CE-CG 3.64Å; M1-E216 HydrophobicContact SD-CG 3.52Å; M1-E216 VanDerWaalsContact SD-CG 3.52Å; M1-E216 VanDerWaalsContact SD-OE1 3.36Å
2	T	89.4	Confident	94.7	Very high	101 Å²	101	37 Å²	37	62%	0.62	19%	0.192	S	C	*	.			trans	-109.5	114.4	179.2	-57.1	0	0	0	0	108.2	K4	T2-K4 HydrophobicContact CG2-CG 4.34Å; T2-K4 PolarHBondContact O-N 3.14Å
3	I	96.5	Very high	95	Very high	21 Å²	21	34.2 Å²	34.2	11%	0.108	18%	0.178	C	C	.	.			trans	-68.3	127.8	172.8	-62	175.4	0	0	0	107.7	V6 V197 W239 V249 I250	I3-V6 HydrophobicContact CG2-CG2 4.49Å; I3-V197 HydrophobicContact CD1-CB 4.08Å; I3-V197 HydrophobicContact CD1-CG1 4.15Å; I3-V197 HydrophobicContact CD1-CG2 4.39Å; I3-V197 HydrophobicContact CG1-CB 4.46Å; I3-V197 HydrophobicContact CG2-CB 4.18Å; I3-V197 HydrophobicContact CG2-CG1 3.67Å; I3-W239 HydrophobicContact CD1-CH2 4.37Å; I3-W239 HydrophobicContact CD1-CZ3 4.29Å; I3-V249 HydrophobicContact CD1-CG2 4.48Å; I3-I250 HydrophobicContact CD1-CG1 4.11Å; I3-I250 HydrophobicContact CG2-CG1 4.49Å; I3-I250 HydrophobicContact CG2-CG2 4.47Å
4	K	97.4	Very high	95.3	Very high	89 Å²	89	31.7 Å²	31.7	39%	0.387	17%	0.165	S	C	.	.			trans	-122.3	-16.1	177.7	-61.7	-169.6	-166.5	157.3	0	113.6	T2 L36 P37 E195	T2-K4 HydrophobicContact CG2-CG 4.34Å; T2-K4 PolarHBondContact O-N 3.14Å; K4-L36 WeakPolarHBondContact O-CD2 3.34Å; K4-P37 WeakPolarHBondContact O-CD 3.4Å; K4-E195 HydrophobicContact CB-CB 4.11Å; K4-E195 HydrophobicContact CD-CB 4.39Å; K4-E195 VanDerWaalsContact CD-OE2 3.31Å; K4-E195 WeakPolarHBondContact CD-OE2 3.22Å; K4-E195 VanDerWaalsContact CE-OE1 3.24Å; K4-E195 WeakPolarHBondContact CE-OE1 3.25Å; K4-E195 HydrophobicContact CG-CB 4.23Å; K4-E195 PolarHBondContact N-O 3.08Å; K4-E195 IonicContact NZ-OE1 2.64Å; K4-E195 PolarHBondContact NZ-OE1 2.99Å; K4-E195 IonicContact NZ-OE2 2.99Å; K4-E195 PolarHBondContact NZ-OE2 2.91Å
5	N	98.5	Very high	95.4	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.07	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.7	-177.1	-43.7	-89.1	0	0	0	109.6	P37 M189 A191 E195 T196 V197	N5-P37 WeakPolarHBondContact CA-O 3.47Å; N5-P37 WeakPolarHBondContact OD1-CG 3.27Å; N5-M189 HydrophobicContact CB-CE 4.5Å; N5-A191 HydrophobicContact CB-CB 3.97Å; N5-A191 VanDerWaalsContact CG-CB 3.43Å; N5-A191 WeakPolarHBondContact OD1-CB 3.24Å; N5-E195 PolarHBondContact N-O 3.05Å; N5-E195 PolarHBondContact ND2-O 3.34Å; N5-E195 VanDerWaalsContact ND2-O 3.12Å; N5-T196 HydrophobicContact CB-CG2 4Å; N5-T196 WeakPolarHBondContact CB-OG1 3.5Å; N5-T196 PolarHBondContact ND2-OG1 2.81Å; N5-T196 WeakPolarHBondContact O-CA 3.43Å; N5-V197 PolarHBondContact O-N 3.03Å
6	V	98.7	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.8	-176.4	-172.8	0	0	0	0	110.1	I3 I31 P37 L38 V39 V197 V199 I250	I3-V6 HydrophobicContact CG2-CG2 4.49Å; V6-I31 HydrophobicContact CB-CD1 4.24Å; V6-I31 HydrophobicContact CB-CG2 4.34Å; V6-I31 HydrophobicContact CG1-CD1 3.93Å; V6-I31 HydrophobicContact CG2-CD1 4.08Å; V6-I31 HydrophobicContact CG2-CG1 4.36Å; V6-I31 HydrophobicContact CG2-CG2 4.01Å; V6-P37 PolarHBondContact N-O 3.45Å; V6-L38 HydrophobicContact CB-CD1 4.07Å; V6-L38 HydrophobicContact CG1-CD1 4.14Å; V6-L38 WeakPolarHBondContact O-CA 3.38Å; V6-V39 PolarHBondContact O-N 3.18Å; V6-V197 HydrophobicContact CB-CG1 4.49Å; V6-V197 HydrophobicContact CG1-CG1 4.24Å; V6-V197 HydrophobicContact CG2-CG1 4.2Å; V6-V199 HydrophobicContact CG1-CG2 4.27Å; V6-I250 HydrophobicContact CG1-CD1 4.19Å; V6-I250 HydrophobicContact CG2-CD1 4.09Å; V6-I250 HydrophobicContact CG2-CG2 3.76Å
7	I	98.8	Very high	95.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.3	162.6	-57.9	-178.9	0	0	0	106.9	V39 L41 I182 A185 M189 T196 V197 I198 V199 L215	I7-V39 CarbonylContact C-O 3.56Å; I7-V39 WeakPolarHBondContact CA-O 3.49Å; I7-L41 HydrophobicContact CG2-CB 3.68Å; I7-L41 HydrophobicContact CG2-CD2 3.84Å; I7-L41 HydrophobicContact CG2-CG 4.38Å; I7-I182 HydrophobicContact CD1-CG2 4.14Å; I7-A185 HydrophobicContact CD1-CB 3.87Å; I7-M189 HydrophobicContact CD1-CE 3.71Å; I7-M189 HydrophobicContact CG1-CE 3.44Å; I7-M189 VanDerWaalsContact CG1-CE 3.44Å; I7-M189 HydrophobicContact CG1-SD 4.31Å; I7-T196 HydrophobicContact CD1-CG2 4.2Å; I7-T196 HydrophobicContact CG1-CG2 4.02Å; I7-V197 PolarHBondContact N-O 3.42Å; I7-I198 HydrophobicContact CB-CB 4.31Å; I7-I198 HydrophobicContact CB-CG1 4.22Å; I7-I198 HydrophobicContact CG2-CD1 4.09Å; I7-I198 HydrophobicContact CG2-CG1 4.1Å; I7-I198 CarbonylContact O-C 3.53Å; I7-I198 VanDerWaalsContact O-CA 3.25Å; I7-I198 WeakPolarHBondContact O-CA 3.39Å; I7-V199 PolarHBondContact O-N 3.19Å; I7-L215 HydrophobicContact CD1-CD2 3.96Å
8	C	98.7	Very high	95	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.7	-178.7	-163.4	0	0	0	0	109.6	V13 L14 V39 L40 L41	C8-V13 VanDerWaalsContact SG-CG1 3.58Å; C8-L14 HydrophobicContact CB-CD1 4.32Å; C8-V39 PolarHBondContact N-O 3.15Å; C8-L40 HydrophobicContact CB-CD2 3.83Å; C8-L40 CarbonylContact O-C 3.58Å; C8-L40 WeakPolarHBondContact O-CA 3.31Å; C8-L41 PolarHBondContact O-N 3.14Å
9	D	98.5	Very high	95.1	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.059	23%	0.227	C	C	.	.			trans	-66.9	164.4	165.5	-178.5	61.8	0	0	0	111.3	D11 V13 L14 L41 K176 V199	D9-D11 PolarHBondContact OD2-N 3.27Å; D9-V13 HydrophobicContact CB-CG2 3.86Å; D9-V13 WeakPolarHBondContact O-CB 3.15Å; D9-L14 WeakPolarHBondContact O-CD1 3.03Å; D9-L41 WeakPolarHBondContact CA-O 3.49Å; D9-L41 VanDerWaalsContact OD1-O 3.12Å; D9-K176 VanDerWaalsContact CG-NZ 3.28Å; D9-K176 IonicContact OD1-NZ 2.63Å; D9-K176 PolarHBondContact OD1-NZ 3.36Å; D9-V199 PolarHBondContact N-O 2.93Å
10	I	98.2	Very high	95.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.226	C	C	.	.			trans	-102.8	-62.2	-177.1	-62.9	-178.4	0	0	0	111.7	G12 V13 L14 M15 L40 T42 L52 F56 F68	I10-G12 PolarHBondContact O-N 3.49Å; I10-V13 PolarHBondContact O-N 3.17Å; I10-L14 PolarHBondContact O-N 3.28Å; I10-M15 HydrophobicContact CG2-CB 4.11Å; I10-M15 HydrophobicContact CG2-CG 3.97Å; I10-M15 PolarHBondContact O-N 2.8Å; I10-L40 HydrophobicContact CD1-CB 4.22Å; I10-L40 HydrophobicContact CG1-CB 4.23Å; I10-T42 HydrophobicContact CD1-CG2 3.97Å; I10-L52 HydrophobicContact CD1-CD1 4.48Å; I10-L52 HydrophobicContact CD1-CD2 4.4Å; I10-F56 HydrophobicContact CD1-CE2 4.23Å; I10-F56 HydrophobicContact CD1-CZ 4.41Å; I10-F56 HydrophobicContact CG1-CZ 4.25Å; I10-F56 HydrophobicContact CG2-CE2 3.74Å; I10-F56 HydrophobicContact CG2-CZ 3.82Å; I10-F68 HydrophobicContact CD1-CD1 3.88Å; I10-F68 HydrophobicContact CD1-CE1 3.97Å
11	D	96	Very high	95.4	Very high	58 Å²	58	40.3 Å²	40.3	31%	0.31	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-85	114.4	-165.4	-68.5	-72.6	0	0	0	110.3	D9 R55	D9-D11 PolarHBondContact OD2-N 3.27Å; D11-R55 IonicContact OD1-CZ 3.67Å; D11-R55 IonicContact OD1-NH1 3.17Å; D11-R55 IonicContact OD1-NH2 3.68Å; D11-R55 PolarHBondContact OD1-NH2 2.86Å
12	G	96.4	Very high	96.8	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.021	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-16.6	-171.5	0	0	0	0	0	113.5	I10 M15 S222 G223	I10-G12 PolarHBondContact O-N 3.49Å; G12-M15 PolarHBondContact N-O 3.36Å; G12-S222 CarbonylContact O-C 3.53Å; G12-S222 VanDerWaalsContact O-C 3.26Å; G12-S222 WeakPolarHBondContact O-CB 3.36Å; G12-S222 PolarHBondContact O-OG 2.96Å; G12-G223 PolarHBondContact O-N 3.44Å
13	V	98.6	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-57.6	179.1	-177.5	0	0	0	0	112.1	C8 D9 I10 V21 V199 D201 V220 V244	C8-V13 VanDerWaalsContact SG-CG1 3.58Å; D9-V13 HydrophobicContact CB-CG2 3.86Å; D9-V13 WeakPolarHBondContact O-CB 3.15Å; I10-V13 PolarHBondContact O-N 3.17Å; V13-V21 WeakPolarHBondContact O-CG2 3.32Å; V13-V199 HydrophobicContact CG1-CG1 3.88Å; V13-D201 HydrophobicContact CG2-CB 3.83Å; V13-V220 HydrophobicContact CB-CG2 4.16Å; V13-V220 HydrophobicContact CG1-CG2 3.97Å; V13-V220 HydrophobicContact CG2-CG2 3.76Å; V13-V244 HydrophobicContact CG1-CG1 3.53Å
14	L	98.7	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-28.4	-177.4	-61.1	172.3	0	0	0	112	C8 D9 I10 A20 V21 A24 F27 L28 L40 F56 V244	C8-L14 HydrophobicContact CB-CD1 4.32Å; D9-L14 WeakPolarHBondContact O-CD1 3.03Å; I10-L14 PolarHBondContact O-N 3.28Å; L14-A20 WeakPolarHBondContact O-CA 3.43Å; L14-V21 PolarHBondContact O-N 2.91Å; L14-A24 HydrophobicContact CD2-CB 4.11Å; L14-F27 HydrophobicContact CD2-CD1 4.01Å; L14-F27 HydrophobicContact CD2-CE1 4.36Å; L14-L28 HydrophobicContact CD1-CD1 4.08Å; L14-L28 HydrophobicContact CD1-CD2 3.96Å; L14-L28 HydrophobicContact CD1-CG 4.48Å; L14-L28 HydrophobicContact CD2-CD1 4.15Å; L14-L28 HydrophobicContact CD2-CD2 3.88Å; L14-L28 HydrophobicContact CD2-CG 4Å; L14-L40 HydrophobicContact CD1-CD1 4.25Å; L14-L40 HydrophobicContact CD1-CD2 3.58Å; L14-L40 HydrophobicContact CD1-CG 4.47Å; L14-F56 HydrophobicContact CB-CE1 4.16Å; L14-F56 HydrophobicContact CB-CZ 4.12Å; L14-F56 HydrophobicContact CD1-CE1 4.1Å; L14-F56 HydrophobicContact CD1-CZ 4.13Å; L14-V244 HydrophobicContact CD2-CG1 4.24Å; L14-V244 HydrophobicContact CD2-CG2 4.44Å
15	M	97.8	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.9	-174.2	-63.7	-67.8	-63.9	0	0	111.2	I10 G12 D17 V19 A20 R55 F56 A59	I10-M15 HydrophobicContact CG2-CB 4.11Å; I10-M15 HydrophobicContact CG2-CG 3.97Å; I10-M15 PolarHBondContact O-N 2.8Å; G12-M15 PolarHBondContact N-O 3.36Å; M15-D17 WeakPolarHBondContact CE-O 3.48Å; M15-V19 CarbonylContact C-O 3.58Å; M15-V19 WeakPolarHBondContact CA-O 3.33Å; M15-A20 HydrophobicContact SD-CB 4.23Å; M15-R55 HydrophobicContact CE-CG 4.33Å; M15-F56 HydrophobicContact CG-CD2 4.35Å; M15-F56 HydrophobicContact CG-CE1 4.28Å; M15-F56 HydrophobicContact CG-CE2 3.74Å; M15-F56 HydrophobicContact CG-CZ 3.7Å; M15-F56 HydrophobicContact SD-CE2 4.42Å; M15-F56 HydrophobicContact SD-CZ 4.45Å; M15-A59 HydrophobicContact CE-CB 3.66Å; M15-A59 HydrophobicContact SD-CB 4.03Å
16	H	95.1	Very high	97.3	Very high	66 Å²	66	35.9 Å²	35.9	31%	0.306	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104.2	156.5	-69.5	162.1	0	0	0	108.2	N18 V19 S222	H16-N18 PolarHBondContact O-N 3.3Å; H16-V19 PolarHBondContact N-O 3.46Å; H16-V19 PolarHBondContact O-N 3.32Å; H16-S222 PolarHBondContact CE1-O 3.42Å; H16-S222 PolarHBondContact NE2-O 3.37Å
17	D	89.9	Confident	97.3	Very high	83 Å²	83	36.9 Å²	36.9	44%	0.444	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-113.4	-173.2	-57.4	-58.6	0	0	0	110.4	M15 R55 R150	M15-D17 WeakPolarHBondContact CE-O 3.48Å; D17-R55 PolarHBondContact O-NE 3.12Å; D17-R55 PolarHBondContact O-NH2 3.02Å; D17-R150 WeakPolarHBondContact OD1-CD 3.19Å; D17-R150 IonicContact OD1-NH1 2.75Å; D17-R150 IonicContact OD2-CZ 2.63Å; D17-R150 IonicContact OD2-NH1 2.61Å; D17-R150 PolarHBondContact OD2-NH1 3.13Å
18	N	93.6	Very high	97.3	Very high	118 Å²	118	36.9 Å²	36.9	63%	0.631	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	16.1	179.9	-64.3	-38.1	0	0	0	113.7	H16	H16-N18 PolarHBondContact O-N 3.3Å
19	V	97.5	Very high	97.3	Very high	103 Å²	103	40 Å²	40	62%	0.624	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.9	-179.2	-175.7	0	0	0	0	109.3	M15 H16	M15-V19 CarbonylContact C-O 3.58Å; M15-V19 WeakPolarHBondContact CA-O 3.33Å; H16-V19 PolarHBondContact N-O 3.46Å; H16-V19 PolarHBondContact O-N 3.32Å
20	A	98.2	Very high	97.3	Very high	26 Å²	26	40.8 Å²	40.8	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	140	175.3	0	0	0	0	0	110.9	L14 M15 A59 V61	L14-A20 WeakPolarHBondContact O-CA 3.43Å; M15-A20 HydrophobicContact SD-CB 4.23Å; A20-A59 HydrophobicContact CB-CB 4.21Å; A20-V61 HydrophobicContact CB-CG2 3.72Å
21	V	98.3	Very high	97.3	Very high	6 Å²	6	41 Å²	41	4%	0.036	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-63.8	135.7	167.9	173.9	0	0	0	0	108	V13 L14 G23 A24 V244	V13-V21 WeakPolarHBondContact O-CG2 3.32Å; L14-V21 PolarHBondContact O-N 2.91Å; V21-G23 PolarHBondContact O-N 3Å; V21-A24 HydrophobicContact CB-CB 4.38Å; V21-A24 WeakPolarHBondContact O-CB 3.19Å; V21-A24 PolarHBondContact O-N 2.91Å; V21-V244 HydrophobicContact CG1-CG2 4.36Å
22	P	98.1	Very high	97.4	Very high	104 Å²	104	40.9 Å²	40.9	68%	0.675	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	133.3	177	-28	35.8	0	0	0	111.6	A24	P22-A24 VanDerWaalsContact C-N 3.29Å; P22-A24 PolarHBondContact O-N 2.86Å
23	G	98.2	Very high	97.4	Very high	22 Å²	22	47.5 Å²	47.5	23%	0.227	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-5.3	-176.8	0	0	0	0	0	115.5	V21 A25 E26 F27	V21-G23 PolarHBondContact O-N 3Å; G23-A25 PolarHBondContact O-N 3.44Å; G23-E26 WeakPolarHBondContact CA-OE2 3.32Å; G23-E26 PolarHBondContact O-N 2.94Å; G23-F27 VanDerWaalsContact O-CB 3.24Å; G23-F27 WeakPolarHBondContact O-CB 3.14Å; G23-F27 PolarHBondContact O-N 3.5Å
24	A	98.5	Very high	97.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-64.6	-37.1	-178.5	0	0	0	0	0	112.9	L14 V21 P22 L28 V244	L14-A24 HydrophobicContact CD2-CB 4.11Å; V21-A24 HydrophobicContact CB-CB 4.38Å; V21-A24 WeakPolarHBondContact O-CB 3.19Å; V21-A24 PolarHBondContact O-N 2.91Å; P22-A24 VanDerWaalsContact C-N 3.29Å; P22-A24 PolarHBondContact O-N 2.86Å; A24-L28 VanDerWaalsContact O-CG 3.28Å; A24-L28 WeakPolarHBondContact O-CG 3.45Å; A24-L28 PolarHBondContact O-N 3.02Å; A24-V244 HydrophobicContact CB-CG2 4.1Å
25	A	98.2	Very high	97.3	Very high	21 Å²	21	56.3 Å²	56.3	17%	0.174	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-52.1	177.2	0	0	0	0	0	110.8	G23 F27 L28 H29 V61	G23-A25 PolarHBondContact O-N 3.44Å; A25-F27 VanDerWaalsContact C-N 3.29Å; A25-F27 PolarHBondContact O-N 3.33Å; A25-L28 PolarHBondContact O-N 3.36Å; A25-H29 WeakPolarHBondContact O-CB 3.3Å; A25-H29 VanDerWaalsContact O-CG 3.26Å; A25-H29 PolarHBondContact O-N 3.5Å; A25-V61 HydrophobicContact CB-CG2 4.13Å
26	E	98.3	Very high	97.2	Very high	132 Å²	132	57.9 Å²	57.9	62%	0.617	34%	0.335	S	S	*	.	H	α-helix	trans	-60.8	-39.7	179.6	-63.3	83.1	173.5	0	0	111.5	G23 G30	G23-E26 WeakPolarHBondContact CA-OE2 3.32Å; G23-E26 PolarHBondContact O-N 2.94Å; E26-G30 PolarHBondContact O-N 3.27Å
27	F	98.6	Very high	97.4	Very high	20 Å²	20	57.2 Å²	57.2	9%	0.088	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-51.9	175.5	174.3	-106.5	0	0	0	112.2	L14 G23 A25 G30 I31 V199 V244 I247 I250	L14-F27 HydrophobicContact CD2-CD1 4.01Å; L14-F27 HydrophobicContact CD2-CE1 4.36Å; G23-F27 VanDerWaalsContact O-CB 3.24Å; G23-F27 WeakPolarHBondContact O-CB 3.14Å; G23-F27 PolarHBondContact O-N 3.5Å; A25-F27 VanDerWaalsContact C-N 3.29Å; A25-F27 PolarHBondContact O-N 3.33Å; F27-G30 PolarHBondContact O-N 3.08Å; F27-I31 HydrophobicContact CD1-CD1 4.17Å; F27-I31 HydrophobicContact CD2-CD1 4.38Å; F27-I31 HydrophobicContact CE1-CD1 3.64Å; F27-I31 HydrophobicContact CE2-CD1 3.87Å; F27-I31 HydrophobicContact CZ-CD1 3.47Å; F27-I31 VanDerWaalsContact CZ-CD1 3.47Å; F27-I31 WeakPolarHBondContact O-CG1 3.23Å; F27-I31 PolarHBondContact O-N 3.36Å; F27-V199 HydrophobicContact CZ-CG2 4.22Å; F27-V244 HydrophobicContact CB-CB 4.22Å; F27-V244 HydrophobicContact CB-CG2 4.36Å; F27-V244 HydrophobicContact CD1-CB 3.89Å; F27-V244 HydrophobicContact CD1-CG1 4.12Å; F27-V244 HydrophobicContact CD1-CG2 4.47Å; F27-V244 HydrophobicContact CD2-CB 4.27Å; F27-V244 HydrophobicContact CE1-CB 4.32Å; F27-V244 HydrophobicContact CE1-CG1 4.13Å; F27-V244 HydrophobicContact CG-CB 3.86Å; F27-V244 HydrophobicContact CG-CG2 4.46Å; F27-I247 HydrophobicContact CD2-CB 4.43Å; F27-I247 HydrophobicContact CD2-CD1 4.45Å; F27-I247 HydrophobicContact CE2-CB 4.05Å; F27-I247 HydrophobicContact CE2-CD1 3.73Å; F27-I247 HydrophobicContact CE2-CG1 4.45Å; F27-I247 HydrophobicContact CE2-CG2 4.1Å; F27-I247 HydrophobicContact CZ-CD1 3.97Å; F27-I250 HydrophobicContact CE2-CD1 4.06Å; F27-I250 HydrophobicContact CZ-CD1 4.07Å
28	L	98.6	Very high	97.8	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.3	-42.3	-178.7	-65.8	178.7	0	0	0	112.2	L14 A24 A25 I31 M32 L38 L40 F56 V61 V63	L14-L28 HydrophobicContact CD1-CD1 4.08Å; L14-L28 HydrophobicContact CD1-CD2 3.96Å; L14-L28 HydrophobicContact CD1-CG 4.48Å; L14-L28 HydrophobicContact CD2-CD1 4.15Å; L14-L28 HydrophobicContact CD2-CD2 3.88Å; L14-L28 HydrophobicContact CD2-CG 4Å; A24-L28 VanDerWaalsContact O-CG 3.28Å; A24-L28 WeakPolarHBondContact O-CG 3.45Å; A24-L28 PolarHBondContact O-N 3.02Å; A25-L28 PolarHBondContact O-N 3.36Å; L28-I31 PolarHBondContact O-N 3.01Å; L28-M32 WeakPolarHBondContact O-CG 3.29Å; L28-M32 PolarHBondContact O-N 2.85Å; L28-M32 VanDerWaalsContact O-N 3.09Å; L28-L38 HydrophobicContact CD2-CD1 4.47Å; L28-L38 HydrophobicContact CD2-CD2 4.02Å; L28-L40 HydrophobicContact CD1-CD1 4.39Å; L28-L40 HydrophobicContact CD2-CD2 3.85Å; L28-F56 HydrophobicContact CD1-CD1 4.36Å; L28-F56 HydrophobicContact CD1-CE1 3.97Å; L28-V61 HydrophobicContact CD1-CG1 3.77Å; L28-V63 HydrophobicContact CB-CG1 4.34Å; L28-V63 HydrophobicContact CD1-CG1 3.97Å
29	H	98.3	Very high	98	Very high	66 Å²	66	48.5 Å²	48.5	31%	0.306	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-41.8	176.1	-67.8	172.7	0	0	0	110.9	A25 I31 M32 D33 D62	A25-H29 WeakPolarHBondContact O-CB 3.3Å; A25-H29 VanDerWaalsContact O-CG 3.26Å; A25-H29 PolarHBondContact O-N 3.5Å; H29-I31 VanDerWaalsContact C-N 3.28Å; H29-I31 PolarHBondContact O-N 2.9Å; H29-M32 VanDerWaalsContact CD2-CE 3.47Å; H29-M32 WeakPolarHBondContact CD2-CE 3.4Å; H29-M32 PolarHBondContact O-N 2.88Å; H29-M32 VanDerWaalsContact O-N 3.15Å; H29-D33 VanDerWaalsContact O-CB 3.32Å; H29-D33 WeakPolarHBondContact O-CB 3.5Å; H29-D33 VanDerWaalsContact O-CG 3.22Å; H29-D33 PolarHBondContact O-N 3.16Å; H29-D62 PolarHBondContact NE2-O 3.4Å
30	G	98	Very high	98.1	Very high	28 Å²	28	43.6 Å²	43.6	29%	0.289	26%	0.26	S	S	.	.	H	α-helix	trans	-58.6	-36	175.5	0	0	0	0	0	113.9	E26 F27 K34	E26-G30 PolarHBondContact O-N 3.27Å; F27-G30 PolarHBondContact O-N 3.08Å; G30-K34 WeakPolarHBondContact O-CD 3.36Å; G30-K34 VanDerWaalsContact O-CG 3.24Å; G30-K34 WeakPolarHBondContact O-CG 3.5Å; G30-K34 PolarHBondContact O-N 3.17Å
31	I	98.2	Very high	98.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-69.9	-47	174.7	-66.8	166.4	0	0	0	110.9	V6 F27 L28 H29 K34 G35 L36 L38 I250	V6-I31 HydrophobicContact CB-CD1 4.24Å; V6-I31 HydrophobicContact CB-CG2 4.34Å; V6-I31 HydrophobicContact CG1-CD1 3.93Å; V6-I31 HydrophobicContact CG2-CD1 4.08Å; V6-I31 HydrophobicContact CG2-CG1 4.36Å; V6-I31 HydrophobicContact CG2-CG2 4.01Å; F27-I31 HydrophobicContact CD1-CD1 4.17Å; F27-I31 HydrophobicContact CD2-CD1 4.38Å; F27-I31 HydrophobicContact CE1-CD1 3.64Å; F27-I31 HydrophobicContact CE2-CD1 3.87Å; F27-I31 HydrophobicContact CZ-CD1 3.47Å; F27-I31 VanDerWaalsContact CZ-CD1 3.47Å; F27-I31 WeakPolarHBondContact O-CG1 3.23Å; F27-I31 PolarHBondContact O-N 3.36Å; L28-I31 PolarHBondContact O-N 3.01Å; H29-I31 VanDerWaalsContact C-N 3.28Å; H29-I31 PolarHBondContact O-N 2.9Å; I31-K34 PolarHBondContact O-N 3.5Å; I31-G35 PolarHBondContact O-N 2.8Å; I31-L36 HydrophobicContact CG2-CB 3.88Å; I31-L36 PolarHBondContact O-N 3.01Å; I31-L38 HydrophobicContact CD1-CD1 4.41Å; I31-L38 HydrophobicContact CG2-CB 4.12Å; I31-L38 HydrophobicContact CG2-CD1 4.36Å; I31-I250 HydrophobicContact CG1-CG2 4.07Å
32	M	97.6	Very high	98.1	Very high	56 Å²	56	42.3 Å²	42.3	28%	0.276	25%	0.249	S	C	.	.	H	α-helix	trans	-67.1	-38.8	-178.6	-69.3	-170.5	-64.7	0	0	112.5	L28 H29 K34 G35 L38 V63	L28-M32 WeakPolarHBondContact O-CG 3.29Å; L28-M32 PolarHBondContact O-N 2.85Å; L28-M32 VanDerWaalsContact O-N 3.09Å; H29-M32 VanDerWaalsContact CD2-CE 3.47Å; H29-M32 WeakPolarHBondContact CD2-CE 3.4Å; H29-M32 PolarHBondContact O-N 2.88Å; H29-M32 VanDerWaalsContact O-N 3.15Å; M32-K34 VanDerWaalsContact C-N 3.28Å; M32-K34 PolarHBondContact O-N 2.91Å; M32-G35 WeakPolarHBondContact O-CA 3.27Å; M32-G35 PolarHBondContact O-N 3.14Å; M32-L38 HydrophobicContact CG-CD2 4.1Å; M32-V63 HydrophobicContact CE-CG1 3.86Å; M32-V63 HydrophobicContact SD-CG1 4.46Å
33	D	97.7	Very high	98	Very high	142 Å²	142	37.8 Å²	37.8	76%	0.759	22%	0.22	S	C	*	.	H	α-helix	trans	-66	-31	178	-73.4	-12.9	0	0	0	112.1	H29 G35	H29-D33 VanDerWaalsContact O-CB 3.32Å; H29-D33 WeakPolarHBondContact O-CB 3.5Å; H29-D33 VanDerWaalsContact O-CG 3.22Å; H29-D33 PolarHBondContact O-N 3.16Å; D33-G35 PolarHBondContact O-N 2.93Å
34	K	97.2	Very high	97.9	Very high	123 Å²	123	40.3 Å²	40.3	54%	0.535	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.2	170.2	-71.7	171.4	-179.6	178.4	0	113.2	G30 I31 M32 L36 I250	G30-K34 WeakPolarHBondContact O-CD 3.36Å; G30-K34 VanDerWaalsContact O-CG 3.24Å; G30-K34 WeakPolarHBondContact O-CG 3.5Å; G30-K34 PolarHBondContact O-N 3.17Å; I31-K34 PolarHBondContact O-N 3.5Å; M32-K34 VanDerWaalsContact C-N 3.28Å; M32-K34 PolarHBondContact O-N 2.91Å; K34-L36 VanDerWaalsContact C-N 3.3Å; K34-L36 HydrophobicContact CB-CD1 4.38Å; K34-L36 HydrophobicContact CB-CG 3.93Å; K34-L36 HydrophobicContact CD-CD1 4.38Å; K34-L36 PolarHBondContact O-N 3.32Å; K34-I250 PolarHBondContact NZ-O 3.17Å; K34-I250 PolarHBondContact NZ-OXT 2.71Å
35	G	96.6	Very high	97.7	Very high	61 Å²	61	40.3 Å²	40.3	63%	0.629	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	20.9	-178.1	0	0	0	0	0	114.2	I31 M32 D33	I31-G35 PolarHBondContact O-N 2.8Å; M32-G35 WeakPolarHBondContact O-CA 3.27Å; M32-G35 PolarHBondContact O-N 3.14Å; D33-G35 PolarHBondContact O-N 2.93Å
36	L	97.3	Very high	97.5	Very high	33 Å²	33	40.7 Å²	40.7	17%	0.173	22%	0.224	C	C	.	.			trans	-77.7	132.3	178.1	-56.3	-177.1	0	0	0	109.9	K4 I31 K34 L38 I250	K4-L36 WeakPolarHBondContact O-CD2 3.34Å; I31-L36 HydrophobicContact CG2-CB 3.88Å; I31-L36 PolarHBondContact O-N 3.01Å; K34-L36 VanDerWaalsContact C-N 3.3Å; K34-L36 HydrophobicContact CB-CD1 4.38Å; K34-L36 HydrophobicContact CB-CG 3.93Å; K34-L36 HydrophobicContact CD-CD1 4.38Å; K34-L36 PolarHBondContact O-N 3.32Å; L36-L38 PolarHBondContact O-N 2.89Å; L36-I250 HydrophobicContact CD1-CG2 3.86Å
37	P	97.9	Very high	97.3	Very high	52 Å²	52	36.4 Å²	36.4	34%	0.338	20%	0.204	S	C	.	.			trans	-55.4	128.9	170.2	-28.5	37.4	0	0	0	111.8	K4 N5 V6 M189	K4-P37 WeakPolarHBondContact O-CD 3.4Å; N5-P37 WeakPolarHBondContact CA-O 3.47Å; N5-P37 WeakPolarHBondContact OD1-CG 3.27Å; V6-P37 PolarHBondContact N-O 3.45Å; P37-M189 HydrophobicContact CB-CB 4.27Å; P37-M189 HydrophobicContact CB-CG 4.43Å; P37-M189 HydrophobicContact CB-SD 4.36Å
38	L	98.5	Very high	97.2	Very high	16 Å²	16	36.9 Å²	36.9	8%	0.084	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.1	-176.1	174.4	64.2	0	0	0	110.4	V6 L28 I31 M32 L36 L40 V67	V6-L38 HydrophobicContact CB-CD1 4.07Å; V6-L38 HydrophobicContact CG1-CD1 4.14Å; V6-L38 WeakPolarHBondContact O-CA 3.38Å; L28-L38 HydrophobicContact CD2-CD1 4.47Å; L28-L38 HydrophobicContact CD2-CD2 4.02Å; I31-L38 HydrophobicContact CD1-CD1 4.41Å; I31-L38 HydrophobicContact CG2-CB 4.12Å; I31-L38 HydrophobicContact CG2-CD1 4.36Å; M32-L38 HydrophobicContact CG-CD2 4.1Å; L36-L38 PolarHBondContact O-N 2.89Å; L38-L40 HydrophobicContact CD1-CD2 3.95Å; L38-L40 HydrophobicContact CD2-CD2 4.33Å; L38-L40 HydrophobicContact CG-CD2 4.2Å; L38-V67 HydrophobicContact CB-CG1 4.48Å; L38-V67 HydrophobicContact CD2-CG1 4.42Å; L38-V67 HydrophobicContact CG-CG1 4.47Å
39	V	98.7	Very high	97.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.1	166.8	164.8	0	0	0	0	110.7	V6 I7 C8 L41 V67 Y69 A185 K188 M189	V6-V39 PolarHBondContact O-N 3.18Å; I7-V39 CarbonylContact C-O 3.56Å; I7-V39 WeakPolarHBondContact CA-O 3.49Å; C8-V39 PolarHBondContact N-O 3.15Å; V39-L41 HydrophobicContact CG1-CB 4.24Å; V39-V67 CarbonylContact C-O 3.45Å; V39-V67 VanDerWaalsContact CA-O 3.29Å; V39-V67 WeakPolarHBondContact CA-O 3.44Å; V39-Y69 HydrophobicContact CG1-CG 4.47Å; V39-A185 HydrophobicContact CG1-CB 4.22Å; V39-K188 HydrophobicContact CG2-CD 4.45Å; V39-M189 HydrophobicContact CB-CG 4.34Å; V39-M189 HydrophobicContact CB-SD 3.88Å; V39-M189 HydrophobicContact CG2-CG 3.38Å; V39-M189 HydrophobicContact CG2-SD 3.56Å; V39-M189 VanDerWaalsContact CG2-SD 3.56Å
40	L	98.8	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	105.6	169.5	-56	-170.7	0	0	0	109	C8 I10 L14 L28 L38 F56 V63 V67 F68 Y69	C8-L40 HydrophobicContact CB-CD2 3.83Å; C8-L40 CarbonylContact O-C 3.58Å; C8-L40 WeakPolarHBondContact O-CA 3.31Å; I10-L40 HydrophobicContact CD1-CB 4.22Å; I10-L40 HydrophobicContact CG1-CB 4.23Å; L14-L40 HydrophobicContact CD1-CD1 4.25Å; L14-L40 HydrophobicContact CD1-CD2 3.58Å; L14-L40 HydrophobicContact CD1-CG 4.47Å; L28-L40 HydrophobicContact CD1-CD1 4.39Å; L28-L40 HydrophobicContact CD2-CD2 3.85Å; L38-L40 HydrophobicContact CD1-CD2 3.95Å; L38-L40 HydrophobicContact CD2-CD2 4.33Å; L38-L40 HydrophobicContact CG-CD2 4.2Å; L40-F56 HydrophobicContact CD1-CE1 3.92Å; L40-F56 HydrophobicContact CD1-CZ 4.08Å; L40-V63 HydrophobicContact CD1-CG2 4.25Å; L40-V67 HydrophobicContact CD1-CG2 3.81Å; L40-V67 HydrophobicContact CG-CB 4.36Å; L40-V67 HydrophobicContact CG-CG2 3.85Å; L40-V67 PolarHBondContact N-O 3.2Å; L40-F68 HydrophobicContact CB-CD1 3.71Å; L40-F68 HydrophobicContact CB-CE1 3.99Å; L40-F68 HydrophobicContact CD1-CD1 4.06Å; L40-F68 HydrophobicContact CD1-CE1 3.5Å; L40-F68 VanDerWaalsContact CD1-CE1 3.5Å; L40-F68 HydrophobicContact CD1-CZ 3.93Å; L40-F68 HydrophobicContact CG-CD1 4.44Å; L40-F68 HydrophobicContact CG-CE1 4.34Å; L40-F68 WeakPolarHBondContact O-CA 3.35Å; L40-Y69 PolarHBondContact O-N 2.98Å
41	L	98.8	Very high	97.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.1	-167.8	179.3	73.5	0	0	0	111.9	I7 C8 D9 V39 Y69 K176 I181 I182	I7-L41 HydrophobicContact CG2-CB 3.68Å; I7-L41 HydrophobicContact CG2-CD2 3.84Å; I7-L41 HydrophobicContact CG2-CG 4.38Å; C8-L41 PolarHBondContact O-N 3.14Å; D9-L41 WeakPolarHBondContact CA-O 3.49Å; D9-L41 VanDerWaalsContact OD1-O 3.12Å; V39-L41 HydrophobicContact CG1-CB 4.24Å; L41-Y69 WeakPolarHBondContact CA-O 3.28Å; L41-Y69 HydrophobicContact CD1-CD1 3.6Å; L41-Y69 HydrophobicContact CD1-CE1 4.42Å; L41-Y69 HydrophobicContact CD1-CG 4.44Å; L41-Y69 WeakPolarHBondContact CD1-O 3.46Å; L41-K176 HydrophobicContact CD2-CD 3.87Å; L41-K176 HydrophobicContact CD2-CG 4.23Å; L41-K176 PolarHBondContact O-NZ 3.35Å; L41-K176 VanDerWaalsContact O-NZ 3.17Å; L41-I181 HydrophobicContact CD1-CD1 3.72Å; L41-I181 HydrophobicContact CD1-CG1 3.66Å; L41-I182 HydrophobicContact CD2-CD1 3.48Å; L41-I182 VanDerWaalsContact CD2-CD1 3.48Å
42	T	97.8	Very high	97	Very high	5 Å²	5	41 Å²	41	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.1	177.6	-179.6	0	0	0	0	113	I10 Y44 L52 Y69 T70 S71	I10-T42 HydrophobicContact CD1-CG2 3.97Å; T42-Y44 PolarHBondContact O-N 3.42Å; T42-Y44 WeakPolarHBondContact OG1-CB 3.38Å; T42-Y44 PolarHBondContact OG1-N 3.48Å; T42-L52 HydrophobicContact CG2-CD1 4.22Å; T42-Y69 PolarHBondContact N-O 2.84Å; T42-T70 HydrophobicContact CG2-CG2 3.79Å; T42-T70 CarbonylContact O-C 3.51Å; T42-S71 PolarHBondContact O-N 3.21Å
43	N	97.3	Very high	97.1	Very high	10 Å²	10	39 Å²	39	5%	0.053	22%	0.217	C	C	.	.	S	Bend	trans	-71.5	-13.3	169	-93.3	3.1	0	0	0	112.6	P45 S71 N144 D146 G175 K176	N43-P45 WeakPolarHBondContact O-CD 3.26Å; N43-S71 VanDerWaalsContact O-CB 3.28Å; N43-S71 WeakPolarHBondContact O-CB 3.48Å; N43-S71 PolarHBondContact O-OG 3.28Å; N43-N144 HydrophobicContact CB-CB 3.82Å; N43-N144 PolarHBondContact O-ND2 3.29Å; N43-D146 VanDerWaalsContact CB-OD2 3.24Å; N43-D146 WeakPolarHBondContact CB-OD2 3.29Å; N43-D146 PolarHBondContact ND2-OD1 3.04Å; N43-D146 PolarHBondContact ND2-OD2 2.86Å; N43-G175 WeakPolarHBondContact OD1-CA 3.41Å; N43-K176 PolarHBondContact ND2-O 3.36Å; N43-K176 PolarHBondContact OD1-N 3.49Å
44	Y	94.5	Very high	97.1	Very high	75 Å²	75	36.4 Å²	36.4	29%	0.294	20%	0.203	S	C	.	.			trans	-74.3	116.9	-176.2	-167.8	-127.2	0	0	0	112.1	T42 Q47 E118	T42-Y44 PolarHBondContact O-N 3.42Å; T42-Y44 WeakPolarHBondContact OG1-CB 3.38Å; T42-Y44 PolarHBondContact OG1-N 3.48Å; Y44-Q47 HydrophobicContact CD1-CB 4.41Å; Y44-Q47 HydrophobicContact CD1-CG 4.12Å; Y44-Q47 HydrophobicContact CE1-CB 4.48Å; Y44-Q47 HydrophobicContact CE1-CG 3.77Å; Y44-E118 WeakPolarHBondContact CE2-OE1 3.26Å
45	P	95.3	Very high	97.1	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.183	C	C	.	.			trans	-90	-9.9	-171.8	34	-33.8	0	0	0	114.1	N43 S71 A72 E118 T143	N43-P45 WeakPolarHBondContact O-CD 3.26Å; P45-S71 WeakPolarHBondContact CA-OG 3.39Å; P45-S71 WeakPolarHBondContact CB-OG 3.4Å; P45-A72 HydrophobicContact CB-CB 3.98Å; P45-A72 VanDerWaalsContact O-CB 3.3Å; P45-A72 WeakPolarHBondContact O-CB 3.45Å; P45-E118 HydrophobicContact CG-CB 3.89Å; P45-T143 HydrophobicContact CB-CG2 3.99Å
46	S	93.5	Very high	97.2	Very high	28 Å²	28	29.1 Å²	29.1	20%	0.196	15%	0.153	C	C	.	.	S	Bend	trans	-86.3	-18.9	-163.4	-52.4	0	0	0	0	114.4	A94	S46-A94 WeakPolarHBondContact O-CB 2.86Å
47	Q	94.6	Very high	97.2	Very high	43 Å²	43	29.7 Å²	29.7	20%	0.201	16%	0.162	C	C	.	.	S	Bend	trans	-103.5	138.2	-178	-73.1	178.6	-61.2	0	0	111.4	Y44 D51 L52 A94	Y44-Q47 HydrophobicContact CD1-CB 4.41Å; Y44-Q47 HydrophobicContact CD1-CG 4.12Å; Y44-Q47 HydrophobicContact CE1-CB 4.48Å; Y44-Q47 HydrophobicContact CE1-CG 3.77Å; Q47-D51 HydrophobicContact CB-CB 3.93Å; Q47-D51 HydrophobicContact CG-CB 4.15Å; Q47-L52 HydrophobicContact CB-CD2 4.1Å; Q47-L52 HydrophobicContact CB-CG 3.94Å; Q47-A94 WeakPolarHBondContact O-CB 3.42Å
48	T	96.5	Very high	97.2	Very high	29 Å²	29	33.2 Å²	33.2	18%	0.178	18%	0.183	C	C	.	.			trans	-75.7	167.4	169.6	66.5	0	0	0	0	110.3	Q50 D51 L52 A94	T48-Q50 PolarHBondContact O-N 2.93Å; T48-Q50 PolarHBondContact OG1-N 2.87Å; T48-D51 WeakPolarHBondContact CB-OD2 3.42Å; T48-D51 PolarHBondContact N-OD2 3.02Å; T48-D51 PolarHBondContact O-N 3.2Å; T48-D51 VanDerWaalsContact O-N 3.15Å; T48-D51 PolarHBondContact OG1-N 3.49Å; T48-D51 PolarHBondContact OG1-OD2 2.71Å; T48-L52 PolarHBondContact O-N 2.92Å; T48-A94 HydrophobicContact CG2-CB 3.62Å
49	G	97	Very high	97.2	Very high	6 Å²	6	33.7 Å²	33.7	6%	0.062	19%	0.189	C	C	.	.	H	α-helix	trans	-57.5	-35.8	172.1	0	0	0	0	0	112.4	L52 A53 F68	G49-L52 PolarHBondContact O-N 2.8Å; G49-A53 WeakPolarHBondContact O-CB 3.39Å; G49-A53 PolarHBondContact O-N 2.82Å; G49-F68 WeakPolarHBondContact O-CD2 3.07Å
50	Q	97.6	Very high	97.1	Very high	109 Å²	109	36.2 Å²	36.2	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-65.1	-43.6	175.4	-169.5	92.2	45.6	0	0	111.8	T48 L52 A53 N54	T48-Q50 PolarHBondContact O-N 2.93Å; T48-Q50 PolarHBondContact OG1-N 2.87Å; Q50-L52 VanDerWaalsContact C-N 3.3Å; Q50-L52 PolarHBondContact O-N 3.35Å; Q50-A53 PolarHBondContact O-N 3.39Å; Q50-N54 VanDerWaalsContact O-CG 3.27Å; Q50-N54 PolarHBondContact O-N 3.36Å; Q50-N54 PolarHBondContact O-ND2 3.1Å
51	D	97.1	Very high	97.1	Very high	70 Å²	70	36.3 Å²	36.3	37%	0.374	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-40.5	177.8	-60.2	-46.4	0	0	0	111.1	Q47 T48 N54 R55	Q47-D51 HydrophobicContact CB-CB 3.93Å; Q47-D51 HydrophobicContact CG-CB 4.15Å; T48-D51 WeakPolarHBondContact CB-OD2 3.42Å; T48-D51 PolarHBondContact N-OD2 3.02Å; T48-D51 PolarHBondContact O-N 3.2Å; T48-D51 VanDerWaalsContact O-N 3.15Å; T48-D51 PolarHBondContact OG1-N 3.49Å; T48-D51 PolarHBondContact OG1-OD2 2.71Å; D51-N54 PolarHBondContact O-N 3.45Å; D51-R55 WeakPolarHBondContact O-CB 3.43Å; D51-R55 PolarHBondContact O-N 3.5Å
52	L	97.8	Very high	97.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-43	177.3	-70.1	168.8	0	0	0	112	I10 T42 Q47 T48 G49 Q50 N54 R55 F56 F68 T70	I10-L52 HydrophobicContact CD1-CD1 4.48Å; I10-L52 HydrophobicContact CD1-CD2 4.4Å; T42-L52 HydrophobicContact CG2-CD1 4.22Å; Q47-L52 HydrophobicContact CB-CD2 4.1Å; Q47-L52 HydrophobicContact CB-CG 3.94Å; T48-L52 PolarHBondContact O-N 2.92Å; G49-L52 PolarHBondContact O-N 2.8Å; Q50-L52 VanDerWaalsContact C-N 3.3Å; Q50-L52 PolarHBondContact O-N 3.35Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.33Å; L52-R55 WeakPolarHBondContact O-CB 3.23Å; L52-R55 PolarHBondContact O-N 3.22Å; L52-R55 VanDerWaalsContact O-N 3.16Å; L52-F56 WeakPolarHBondContact O-CD2 3.3Å; L52-F56 PolarHBondContact O-N 2.85Å; L52-F68 HydrophobicContact CB-CD1 3.6Å; L52-F68 HydrophobicContact CB-CD2 3.9Å; L52-F68 HydrophobicContact CB-CE1 3.6Å; L52-F68 HydrophobicContact CB-CE2 3.93Å; L52-F68 HydrophobicContact CB-CG 3.74Å; L52-F68 HydrophobicContact CB-CZ 3.77Å; L52-F68 HydrophobicContact CD1-CB 3.97Å; L52-F68 HydrophobicContact CD1-CD1 3.68Å; L52-F68 HydrophobicContact CD1-CE1 4.41Å; L52-F68 HydrophobicContact CD1-CG 3.89Å; L52-F68 HydrophobicContact CG-CD1 4.21Å; L52-F68 HydrophobicContact CG-CE1 4.49Å; L52-F68 HydrophobicContact CG-CG 4.48Å; L52-T70 HydrophobicContact CD1-CG2 3.6Å
53	A	98.3	Very high	97.1	Very high	14 Å²	14	42 Å²	42	12%	0.116	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-44.5	174.7	0	0	0	0	0	111.3	G49 Q50 R55 F56 A57 D65 F68	G49-A53 WeakPolarHBondContact O-CB 3.39Å; G49-A53 PolarHBondContact O-N 2.82Å; Q50-A53 PolarHBondContact O-N 3.39Å; A53-R55 PolarHBondContact O-N 3.38Å; A53-F56 PolarHBondContact O-N 3.18Å; A53-A57 WeakPolarHBondContact O-CB 3.34Å; A53-A57 PolarHBondContact O-N 3.41Å; A53-D65 HydrophobicContact CB-CB 4.09Å; A53-F68 HydrophobicContact CB-CE2 3.83Å; A53-F68 VanDerWaalsContact N-CE2 3.34Å
54	N	98	Very high	97.1	Very high	86 Å²	86	44.5 Å²	44.5	46%	0.46	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-39	176.2	-69.9	-22.4	0	0	0	112.4	Q50 D51 L52 T58	Q50-N54 VanDerWaalsContact O-CG 3.27Å; Q50-N54 PolarHBondContact O-N 3.36Å; Q50-N54 PolarHBondContact O-ND2 3.1Å; D51-N54 PolarHBondContact O-N 3.45Å; L52-N54 VanDerWaalsContact C-N 3.31Å; L52-N54 PolarHBondContact O-N 3.33Å; N54-T58 WeakPolarHBondContact O-CB 3.41Å; N54-T58 PolarHBondContact O-N 3.44Å; N54-T58 PolarHBondContact O-OG1 3.49Å
55	R	97.5	Very high	97.2	Very high	31 Å²	31	44.6 Å²	44.6	12%	0.117	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-46.1	174.7	176.7	179.6	172	-158.4	-8.2	111.1	D11 M15 D17 D51 L52 A53 T58 A59	D11-R55 IonicContact OD1-CZ 3.67Å; D11-R55 IonicContact OD1-NH1 3.17Å; D11-R55 IonicContact OD1-NH2 3.68Å; D11-R55 PolarHBondContact OD1-NH2 2.86Å; M15-R55 HydrophobicContact CE-CG 4.33Å; D17-R55 PolarHBondContact O-NE 3.12Å; D17-R55 PolarHBondContact O-NH2 3.02Å; D51-R55 WeakPolarHBondContact O-CB 3.43Å; D51-R55 PolarHBondContact O-N 3.5Å; L52-R55 WeakPolarHBondContact O-CB 3.23Å; L52-R55 PolarHBondContact O-N 3.22Å; L52-R55 VanDerWaalsContact O-N 3.16Å; A53-R55 PolarHBondContact O-N 3.38Å; R55-T58 PolarHBondContact O-N 2.89Å; R55-A59 PolarHBondContact O-N 2.91Å
56	F	98.4	Very high	97.4	Very high	1 Å²	1	48 Å²	48	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-64.8	-46.6	177.7	-90.8	-114.5	0	0	0	111.8	I10 L14 M15 L28 L40 L52 A53 T58 A59 G60 V61 V63 F68	I10-F56 HydrophobicContact CD1-CE2 4.23Å; I10-F56 HydrophobicContact CD1-CZ 4.41Å; I10-F56 HydrophobicContact CG1-CZ 4.25Å; I10-F56 HydrophobicContact CG2-CE2 3.74Å; I10-F56 HydrophobicContact CG2-CZ 3.82Å; L14-F56 HydrophobicContact CB-CE1 4.16Å; L14-F56 HydrophobicContact CB-CZ 4.12Å; L14-F56 HydrophobicContact CD1-CE1 4.1Å; L14-F56 HydrophobicContact CD1-CZ 4.13Å; M15-F56 HydrophobicContact CG-CD2 4.35Å; M15-F56 HydrophobicContact CG-CE1 4.28Å; M15-F56 HydrophobicContact CG-CE2 3.74Å; M15-F56 HydrophobicContact CG-CZ 3.7Å; M15-F56 HydrophobicContact SD-CE2 4.42Å; M15-F56 HydrophobicContact SD-CZ 4.45Å; L28-F56 HydrophobicContact CD1-CD1 4.36Å; L28-F56 HydrophobicContact CD1-CE1 3.97Å; L40-F56 HydrophobicContact CD1-CE1 3.92Å; L40-F56 HydrophobicContact CD1-CZ 4.08Å; L52-F56 WeakPolarHBondContact O-CD2 3.3Å; L52-F56 PolarHBondContact O-N 2.85Å; A53-F56 PolarHBondContact O-N 3.18Å; F56-T58 VanDerWaalsContact C-N 3.29Å; F56-T58 PolarHBondContact O-N 3.44Å; F56-A59 CarbonylContact O-C 3.59Å; F56-A59 WeakPolarHBondContact O-CA 3.47Å; F56-A59 WeakPolarHBondContact O-CB 3.48Å; F56-A59 PolarHBondContact O-N 3.17Å; F56-G60 PolarHBondContact O-N 2.89Å; F56-V61 CarbonylContact C-O 3.43Å; F56-V61 HydrophobicContact CB-CB 4.35Å; F56-V61 WeakPolarHBondContact CB-O 3.21Å; F56-V61 HydrophobicContact CD1-CB 4Å; F56-V61 HydrophobicContact CD1-CG1 3.77Å; F56-V61 HydrophobicContact CE1-CG1 4.47Å; F56-V61 PolarHBondContact O-N 3.35Å; F56-V63 HydrophobicContact CB-CG2 4.15Å; F56-V63 HydrophobicContact CD1-CG2 3.99Å; F56-V63 HydrophobicContact CG-CG2 4.23Å; F56-F68 HydrophobicContact CB-CZ 4.44Å; F56-F68 HydrophobicContact CD1-CZ 4.45Å; F56-F68 AromaticContact CD2-CE1 3.89Å; F56-F68 HydrophobicContact CD2-CE1 3.89Å; F56-F68 AromaticContact CD2-CZ 3.79Å; F56-F68 HydrophobicContact CD2-CZ 3.79Å; F56-F68 AromaticContact CE2-CE1 3.72Å; F56-F68 HydrophobicContact CE2-CE1 3.72Å; F56-F68 HydrophobicContact CE2-CZ 4.11Å; F56-F68 HydrophobicContact CG-CE1 4.41Å; F56-F68 AromaticContact CG-CZ 3.98Å; F56-F68 HydrophobicContact CG-CZ 3.98Å; F56-F68 HydrophobicContact CZ-CE1 4.12Å
57	A	98.2	Very high	97.6	Very high	44 Å²	44	47.2 Å²	47.2	36%	0.364	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-39.4	177.6	0	0	0	0	0	112.1	A53 A59 G60 V61	A53-A57 WeakPolarHBondContact O-CB 3.34Å; A53-A57 PolarHBondContact O-N 3.41Å; A57-A59 PolarHBondContact O-N 2.88Å; A57-G60 PolarHBondContact O-N 3.47Å; A57-V61 PolarHBondContact N-O 2.85Å
58	T	97.9	Very high	97.8	Very high	126 Å²	126	45.2 Å²	45.2	77%	0.773	28%	0.278	S	S	*	.	H	α-helix	trans	-62.8	-30.3	175.1	-57	0	0	0	0	112.3	N54 R55 F56 G60	N54-T58 WeakPolarHBondContact O-CB 3.41Å; N54-T58 PolarHBondContact O-N 3.44Å; N54-T58 PolarHBondContact O-OG1 3.49Å; R55-T58 PolarHBondContact O-N 2.89Å; F56-T58 VanDerWaalsContact C-N 3.29Å; F56-T58 PolarHBondContact O-N 3.44Å; T58-G60 VanDerWaalsContact C-N 3.28Å
59	A	97.6	Very high	97.9	Very high	26 Å²	26	44 Å²	44	22%	0.215	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	6.6	175.2	0	0	0	0	0	113.6	M15 A20 R55 F56 A57	M15-A59 HydrophobicContact CE-CB 3.66Å; M15-A59 HydrophobicContact SD-CB 4.03Å; A20-A59 HydrophobicContact CB-CB 4.21Å; R55-A59 PolarHBondContact O-N 2.91Å; F56-A59 CarbonylContact O-C 3.59Å; F56-A59 WeakPolarHBondContact O-CA 3.47Å; F56-A59 WeakPolarHBondContact O-CB 3.48Å; F56-A59 PolarHBondContact O-N 3.17Å; A57-A59 PolarHBondContact O-N 2.88Å
60	G	97.4	Very high	97.9	Very high	55 Å²	55	43.8 Å²	43.8	57%	0.567	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	18.4	179.1	0	0	0	0	0	114.6	F56 A57 T58	F56-G60 PolarHBondContact O-N 2.89Å; A57-G60 PolarHBondContact O-N 3.47Å; T58-G60 VanDerWaalsContact C-N 3.28Å
61	V	98	Very high	98	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	24%	0.243	C	C	.	.			trans	-118.6	105	-178.9	-173.9	0	0	0	0	109.8	A20 A25 L28 F56 A57 V63	A20-V61 HydrophobicContact CB-CG2 3.72Å; A25-V61 HydrophobicContact CB-CG2 4.13Å; L28-V61 HydrophobicContact CD1-CG1 3.77Å; F56-V61 CarbonylContact C-O 3.43Å; F56-V61 HydrophobicContact CB-CB 4.35Å; F56-V61 WeakPolarHBondContact CB-O 3.21Å; F56-V61 HydrophobicContact CD1-CB 4Å; F56-V61 HydrophobicContact CD1-CG1 3.77Å; F56-V61 HydrophobicContact CE1-CG1 4.47Å; F56-V61 PolarHBondContact O-N 3.35Å; A57-V61 PolarHBondContact N-O 2.85Å; V61-V63 HydrophobicContact CG1-CG1 4.35Å
62	D	97.7	Very high	98	Very high	110 Å²	110	35.3 Å²	35.3	59%	0.588	23%	0.225	S	C	*	.			trans	-88.2	116	178.8	-66.9	-49.4	0	0	0	111.2	H29	H29-D62 PolarHBondContact NE2-O 3.4Å
63	V	98.2	Very high	98	Very high	16 Å²	16	36.5 Å²	36.5	10%	0.097	23%	0.232	C	C	.	.			trans	-140.2	145.9	173.5	-68.1	0	0	0	0	110.1	L28 M32 L40 F56 V61 V67 F68	L28-V63 HydrophobicContact CB-CG1 4.34Å; L28-V63 HydrophobicContact CD1-CG1 3.97Å; M32-V63 HydrophobicContact CE-CG1 3.86Å; M32-V63 HydrophobicContact SD-CG1 4.46Å; L40-V63 HydrophobicContact CD1-CG2 4.25Å; F56-V63 HydrophobicContact CB-CG2 4.15Å; F56-V63 HydrophobicContact CD1-CG2 3.99Å; F56-V63 HydrophobicContact CG-CG2 4.23Å; V61-V63 HydrophobicContact CG1-CG1 4.35Å; V63-V67 HydrophobicContact CB-CG2 4.07Å; V63-V67 HydrophobicContact CG2-CG2 4.24Å; V63-F68 HydrophobicContact CG2-CE2 3.86Å; V63-F68 HydrophobicContact CG2-CZ 3.6Å
64	P	97.8	Very high	98.1	Very high	61 Å²	61	35.9 Å²	35.9	40%	0.396	23%	0.226	S	C	.	.			trans	-69.7	149.3	178.3	29.1	-33.8	0	0	0	111.3	S66 V67	P64-S66 PolarHBondContact O-N 3.19Å; P64-V67 HydrophobicContact CG-CG1 4.07Å; P64-V67 WeakPolarHBondContact O-CG2 3.32Å; P64-V67 PolarHBondContact O-N 3.44Å
65	D	97.7	Very high	98.1	Very high	77 Å²	77	31.8 Å²	31.8	41%	0.412	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59.3	-23.6	178.8	69.1	-24.3	0	0	0	113.7	A53 V67 F68	A53-D65 HydrophobicContact CB-CB 4.09Å; D65-V67 VanDerWaalsContact C-N 3.28Å; D65-V67 PolarHBondContact O-N 3.18Å; D65-F68 WeakPolarHBondContact O-CD2 3.35Å; D65-F68 PolarHBondContact O-N 2.78Å
66	S	97.6	Very high	98.1	Very high	72 Å²	72	30.3 Å²	30.3	50%	0.503	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-66.2	-21.6	-178.8	65.2	0	0	0	0	114.8	P64 F68 K188	P64-S66 PolarHBondContact O-N 3.19Å; S66-F68 VanDerWaalsContact C-N 3.33Å; S66-K188 WeakPolarHBondContact O-CE 3.46Å; S66-K188 PolarHBondContact O-NZ 3.45Å
67	V	98.3	Very high	98.1	Very high	13 Å²	13	32.6 Å²	32.6	8%	0.079	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-76.4	-20.7	176	-62.5	0	0	0	0	112.3	L38 V39 L40 V63 P64 D65	L38-V67 HydrophobicContact CB-CG1 4.48Å; L38-V67 HydrophobicContact CD2-CG1 4.42Å; L38-V67 HydrophobicContact CG-CG1 4.47Å; V39-V67 CarbonylContact C-O 3.45Å; V39-V67 VanDerWaalsContact CA-O 3.29Å; V39-V67 WeakPolarHBondContact CA-O 3.44Å; L40-V67 HydrophobicContact CD1-CG2 3.81Å; L40-V67 HydrophobicContact CG-CB 4.36Å; L40-V67 HydrophobicContact CG-CG2 3.85Å; L40-V67 PolarHBondContact N-O 3.2Å; V63-V67 HydrophobicContact CB-CG2 4.07Å; V63-V67 HydrophobicContact CG2-CG2 4.24Å; P64-V67 HydrophobicContact CG-CG1 4.07Å; P64-V67 WeakPolarHBondContact O-CG2 3.32Å; P64-V67 PolarHBondContact O-N 3.44Å; D65-V67 VanDerWaalsContact C-N 3.28Å; D65-V67 PolarHBondContact O-N 3.18Å
68	F	98.6	Very high	98.1	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.7	-178.6	-62.8	-75.9	0	0	0	111.9	I10 L40 G49 L52 A53 F56 V63 D65 S66	I10-F68 HydrophobicContact CD1-CD1 3.88Å; I10-F68 HydrophobicContact CD1-CE1 3.97Å; L40-F68 HydrophobicContact CB-CD1 3.71Å; L40-F68 HydrophobicContact CB-CE1 3.99Å; L40-F68 HydrophobicContact CD1-CD1 4.06Å; L40-F68 HydrophobicContact CD1-CE1 3.5Å; L40-F68 VanDerWaalsContact CD1-CE1 3.5Å; L40-F68 HydrophobicContact CD1-CZ 3.93Å; L40-F68 HydrophobicContact CG-CD1 4.44Å; L40-F68 HydrophobicContact CG-CE1 4.34Å; L40-F68 WeakPolarHBondContact O-CA 3.35Å; G49-F68 WeakPolarHBondContact O-CD2 3.07Å; L52-F68 HydrophobicContact CB-CD1 3.6Å; L52-F68 HydrophobicContact CB-CD2 3.9Å; L52-F68 HydrophobicContact CB-CE1 3.6Å; L52-F68 HydrophobicContact CB-CE2 3.93Å; L52-F68 HydrophobicContact CB-CG 3.74Å; L52-F68 HydrophobicContact CB-CZ 3.77Å; L52-F68 HydrophobicContact CD1-CB 3.97Å; L52-F68 HydrophobicContact CD1-CD1 3.68Å; L52-F68 HydrophobicContact CD1-CE1 4.41Å; L52-F68 HydrophobicContact CD1-CG 3.89Å; L52-F68 HydrophobicContact CG-CD1 4.21Å; L52-F68 HydrophobicContact CG-CE1 4.49Å; L52-F68 HydrophobicContact CG-CG 4.48Å; A53-F68 HydrophobicContact CB-CE2 3.83Å; A53-F68 VanDerWaalsContact N-CE2 3.34Å; F56-F68 HydrophobicContact CB-CZ 4.44Å; F56-F68 HydrophobicContact CD1-CZ 4.45Å; F56-F68 AromaticContact CD2-CE1 3.89Å; F56-F68 HydrophobicContact CD2-CE1 3.89Å; F56-F68 AromaticContact CD2-CZ 3.79Å; F56-F68 HydrophobicContact CD2-CZ 3.79Å; F56-F68 AromaticContact CE2-CE1 3.72Å; F56-F68 HydrophobicContact CE2-CE1 3.72Å; F56-F68 HydrophobicContact CE2-CZ 4.11Å; F56-F68 HydrophobicContact CG-CE1 4.41Å; F56-F68 AromaticContact CG-CZ 3.98Å; F56-F68 HydrophobicContact CG-CZ 3.98Å; F56-F68 HydrophobicContact CZ-CE1 4.12Å; V63-F68 HydrophobicContact CG2-CE2 3.86Å; V63-F68 HydrophobicContact CG2-CZ 3.6Å; D65-F68 WeakPolarHBondContact O-CD2 3.35Å; D65-F68 PolarHBondContact O-N 2.78Å; S66-F68 VanDerWaalsContact C-N 3.33Å
69	Y	98.6	Very high	98.1	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	110.2	171.5	-166.3	-121.6	0	0	0	109.7	V39 L40 L41 T42 M73 A74 D77 I181 A184 A185 K188	V39-Y69 HydrophobicContact CG1-CG 4.47Å; L40-Y69 PolarHBondContact O-N 2.98Å; L41-Y69 WeakPolarHBondContact CA-O 3.28Å; L41-Y69 HydrophobicContact CD1-CD1 3.6Å; L41-Y69 HydrophobicContact CD1-CE1 4.42Å; L41-Y69 HydrophobicContact CD1-CG 4.44Å; L41-Y69 WeakPolarHBondContact CD1-O 3.46Å; T42-Y69 PolarHBondContact N-O 2.84Å; Y69-M73 HydrophobicContact CD2-CB 3.89Å; Y69-M73 HydrophobicContact CD2-SD 4.15Å; Y69-M73 HydrophobicContact CE2-CB 3.83Å; Y69-A74 HydrophobicContact CE1-CB 3.88Å; Y69-A74 WeakPolarHBondContact OH-CA 3.21Å; Y69-D77 PolarHBondContact OH-OD2 3.03Å; Y69-D77 VanDerWaalsContact OH-OD2 3.12Å; Y69-I181 HydrophobicContact CD1-CG1 4.47Å; Y69-I181 HydrophobicContact CE1-CG1 4.1Å; Y69-A184 HydrophobicContact CE1-CB 4.07Å; Y69-A184 WeakPolarHBondContact OH-CB 3.36Å; Y69-A185 HydrophobicContact CD1-CB 3.91Å; Y69-A185 HydrophobicContact CE1-CB 4.14Å; Y69-K188 HydrophobicContact CD2-CD 3.64Å; Y69-K188 HydrophobicContact CE2-CD 4.15Å; Y69-K188 HydrophobicContact CG-CD 4.1Å
70	T	98.3	Very high	98.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	161.9	-175.2	65.3	0	0	0	0	111.1	T42 L52 A72 M73 A74	T42-T70 HydrophobicContact CG2-CG2 3.79Å; T42-T70 CarbonylContact O-C 3.51Å; L52-T70 HydrophobicContact CD1-CG2 3.6Å; T70-A72 PolarHBondContact O-N 3.12Å; T70-A72 PolarHBondContact OG1-N 2.86Å; T70-M73 PolarHBondContact O-N 3.03Å; T70-M73 VanDerWaalsContact O-N 3.12Å; T70-M73 WeakPolarHBondContact OG1-CG 3.27Å; T70-M73 PolarHBondContact OG1-N 3.33Å; T70-A74 WeakPolarHBondContact O-CB 3.4Å; T70-A74 PolarHBondContact O-N 3.35Å
71	S	98	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-26.7	171.1	63.4	0	0	0	0	113.3	T42 N43 P45 T75 T143	T42-S71 PolarHBondContact O-N 3.21Å; N43-S71 VanDerWaalsContact O-CB 3.28Å; N43-S71 WeakPolarHBondContact O-CB 3.48Å; N43-S71 PolarHBondContact O-OG 3.28Å; P45-S71 WeakPolarHBondContact CA-OG 3.39Å; P45-S71 WeakPolarHBondContact CB-OG 3.4Å; S71-T75 VanDerWaalsContact O-CB 3.23Å; S71-T75 WeakPolarHBondContact O-CB 3.25Å; S71-T75 PolarHBondContact O-N 3.28Å; S71-T75 PolarHBondContact O-OG1 3.03Å; S71-T143 WeakPolarHBondContact CB-O 3.18Å
72	A	98.3	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.8	-48.1	171.5	0	0	0	0	0	112.2	P45 T70 A74 T75 A76 L95	P45-A72 HydrophobicContact CB-CB 3.98Å; P45-A72 VanDerWaalsContact O-CB 3.3Å; P45-A72 WeakPolarHBondContact O-CB 3.45Å; T70-A72 PolarHBondContact O-N 3.12Å; T70-A72 PolarHBondContact OG1-N 2.86Å; A72-A74 VanDerWaalsContact C-N 3.33Å; A72-A74 PolarHBondContact O-N 3.36Å; A72-T75 PolarHBondContact O-N 3.23Å; A72-A76 PolarHBondContact O-N 3.46Å; A72-L95 HydrophobicContact CB-CB 4.2Å; A72-L95 HydrophobicContact CB-CD1 4.1Å
73	M	98.5	Very high	97.7	Very high	27 Å²	27	40.3 Å²	40.3	13%	0.133	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-46.4	174.6	-65.1	173.8	-172	0	0	110.7	Y69 T70 T75 A76 D77 E98	Y69-M73 HydrophobicContact CD2-CB 3.89Å; Y69-M73 HydrophobicContact CD2-SD 4.15Å; Y69-M73 HydrophobicContact CE2-CB 3.83Å; T70-M73 PolarHBondContact O-N 3.03Å; T70-M73 VanDerWaalsContact O-N 3.12Å; T70-M73 WeakPolarHBondContact OG1-CG 3.27Å; T70-M73 PolarHBondContact OG1-N 3.33Å; M73-T75 VanDerWaalsContact C-N 3.32Å; M73-T75 PolarHBondContact O-N 3.22Å; M73-A76 WeakPolarHBondContact O-CB 3.07Å; M73-A76 PolarHBondContact O-N 3.02Å; M73-D77 PolarHBondContact O-N 3.47Å; M73-E98 HydrophobicContact CG-CG 3.96Å
74	A	98.5	Very high	97.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-40.9	176.7	0	0	0	0	0	112.3	Y69 T70 A72 D77 F78 V174 W180 I181	Y69-A74 HydrophobicContact CE1-CB 3.88Å; Y69-A74 WeakPolarHBondContact OH-CA 3.21Å; T70-A74 WeakPolarHBondContact O-CB 3.4Å; T70-A74 PolarHBondContact O-N 3.35Å; A72-A74 VanDerWaalsContact C-N 3.33Å; A72-A74 PolarHBondContact O-N 3.36Å; A74-D77 PolarHBondContact O-N 3.41Å; A74-F78 WeakPolarHBondContact O-CB 3.42Å; A74-F78 PolarHBondContact O-N 2.92Å; A74-V174 HydrophobicContact CB-CG1 3.77Å; A74-W180 HydrophobicContact CB-CZ3 4.04Å; A74-W180 WeakPolarHBondContact O-CH2 3.39Å; A74-W180 WeakPolarHBondContact O-CZ3 3.45Å; A74-I181 HydrophobicContact CB-CD1 3.57Å; A74-I181 HydrophobicContact CB-CG1 3.66Å
75	T	98.6	Very high	97.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-41.7	177.7	-62.3	0	0	0	0	110.9	S71 A72 M73 F78 L79 I115 I141 T143 V174	S71-T75 VanDerWaalsContact O-CB 3.23Å; S71-T75 WeakPolarHBondContact O-CB 3.25Å; S71-T75 PolarHBondContact O-N 3.28Å; S71-T75 PolarHBondContact O-OG1 3.03Å; A72-T75 PolarHBondContact O-N 3.23Å; M73-T75 VanDerWaalsContact C-N 3.32Å; M73-T75 PolarHBondContact O-N 3.22Å; T75-F78 WeakPolarHBondContact O-CB 3.33Å; T75-F78 PolarHBondContact O-N 3.03Å; T75-L79 HydrophobicContact CG2-CD1 3.84Å; T75-L79 HydrophobicContact CG2-CG 4.46Å; T75-L79 WeakPolarHBondContact O-CB 3.16Å; T75-L79 WeakPolarHBondContact O-CD1 3.46Å; T75-L79 WeakPolarHBondContact O-CG 3.49Å; T75-L79 PolarHBondContact O-N 3.49Å; T75-I115 HydrophobicContact CG2-CG2 3.98Å; T75-I141 HydrophobicContact CG2-CG2 4.07Å; T75-T143 HydrophobicContact CG2-CG2 4.43Å; T75-V174 HydrophobicContact CG2-CG2 4.34Å
76	A	98.3	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-43	174	0	0	0	0	0	112	A72 M73 L79 R80 E98 A102	A72-A76 PolarHBondContact O-N 3.46Å; M73-A76 WeakPolarHBondContact O-CB 3.07Å; M73-A76 PolarHBondContact O-N 3.02Å; A76-L79 PolarHBondContact O-N 2.68Å; A76-R80 WeakPolarHBondContact O-CG 3.5Å; A76-R80 PolarHBondContact O-N 2.95Å; A76-E98 HydrophobicContact CB-CB 3.85Å; A76-E98 WeakPolarHBondContact CB-O 3.47Å; A76-A102 HydrophobicContact CB-CB 4.07Å
77	D	98	Very high	97.8	Very high	49 Å²	49	39.6 Å²	39.6	26%	0.262	18%	0.179	S	C	.	.	H	α-helix	trans	-64.4	-38.7	175.5	-79.9	-25.8	0	0	0	113.2	Y69 M73 A74 L79 R80 W180	Y69-D77 PolarHBondContact OH-OD2 3.03Å; Y69-D77 VanDerWaalsContact OH-OD2 3.12Å; M73-D77 PolarHBondContact O-N 3.47Å; A74-D77 PolarHBondContact O-N 3.41Å; D77-L79 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 3.18Å; D77-R80 PolarHBondContact O-N 3.39Å; D77-R80 IonicContact OD1-CZ 3.98Å; D77-R80 IonicContact OD1-NH1 3.83Å; D77-R80 PolarHBondContact OD1-NH1 3.03Å; D77-W180 HydrophobicContact CB-CH2 4.12Å
78	F	98.2	Very high	97.8	Very high	18 Å²	18	40 Å²	40	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-48	173.5	171.7	-101.5	0	0	0	110.6	A74 T75 R81 Q82 I141 F172 V174 W180	A74-F78 WeakPolarHBondContact O-CB 3.42Å; A74-F78 PolarHBondContact O-N 2.92Å; T75-F78 WeakPolarHBondContact O-CB 3.33Å; T75-F78 PolarHBondContact O-N 3.03Å; F78-R81 PolarHBondContact O-N 3.39Å; F78-Q82 HydrophobicContact CD1-CG 4.49Å; F78-Q82 HydrophobicContact CE1-CG 4.15Å; F78-Q82 HydrophobicContact CZ-CG 4.44Å; F78-Q82 WeakPolarHBondContact O-CG 3.17Å; F78-Q82 PolarHBondContact O-NE2 3.34Å; F78-I141 HydrophobicContact CD1-CG2 4.48Å; F78-I141 HydrophobicContact CE1-CD1 3.64Å; F78-I141 HydrophobicContact CE1-CG1 4.33Å; F78-I141 HydrophobicContact CZ-CD1 4.31Å; F78-F172 AromaticContact CD2-CE1 3.96Å; F78-F172 HydrophobicContact CD2-CE1 3.96Å; F78-F172 HydrophobicContact CE1-CD1 4.18Å; F78-F172 HydrophobicContact CE1-CE1 4.46Å; F78-F172 HydrophobicContact CE2-CD1 4.03Å; F78-F172 AromaticContact CE2-CE1 3.56Å; F78-F172 HydrophobicContact CE2-CE1 3.56Å; F78-F172 HydrophobicContact CE2-CZ 4.05Å; F78-F172 AromaticContact CZ-CD1 3.8Å; F78-F172 HydrophobicContact CZ-CD1 3.8Å; F78-F172 AromaticContact CZ-CE1 3.84Å; F78-F172 HydrophobicContact CZ-CE1 3.84Å; F78-F172 HydrophobicContact CZ-CG 4.45Å; F78-V174 HydrophobicContact CB-CG2 4.47Å; F78-V174 HydrophobicContact CD1-CG2 4.46Å; F78-V174 HydrophobicContact CG-CG2 4.45Å; F78-W180 HydrophobicContact CB-CE3 4.4Å; F78-W180 HydrophobicContact CB-CH2 3.42Å; F78-W180 VanDerWaalsContact CB-CH2 3.42Å; F78-W180 HydrophobicContact CB-CZ2 3.53Å; F78-W180 HydrophobicContact CB-CZ3 3.86Å; F78-W180 HydrophobicContact CD2-CD2 4.19Å; F78-W180 AromaticContact CD2-CE2 3.65Å; F78-W180 AromaticContact CD2-CZ2 3.86Å; F78-W180 HydrophobicContact CD2-CZ2 3.86Å; F78-W180 AromaticContact CD2-NE1 3.72Å; F78-W180 HydrophobicContact CG-CH2 4.48Å; F78-W180 HydrophobicContact CG-CZ2 4.21Å
79	L	98.1	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.8	-27.3	-175.7	-73.1	170.5	0	0	0	113.7	T75 A76 D77 R81 Q82 L99 F104 F113 I115 I141	T75-L79 HydrophobicContact CG2-CD1 3.84Å; T75-L79 HydrophobicContact CG2-CG 4.46Å; T75-L79 WeakPolarHBondContact O-CB 3.16Å; T75-L79 WeakPolarHBondContact O-CD1 3.46Å; T75-L79 WeakPolarHBondContact O-CG 3.49Å; T75-L79 PolarHBondContact O-N 3.49Å; A76-L79 PolarHBondContact O-N 2.68Å; D77-L79 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 3.18Å; L79-R81 PolarHBondContact O-N 2.79Å; L79-R81 VanDerWaalsContact O-N 3.15Å; L79-Q82 HydrophobicContact CD2-CG 4.49Å; L79-Q82 WeakPolarHBondContact O-CB 3.38Å; L79-Q82 PolarHBondContact O-N 3.48Å; L79-L99 HydrophobicContact CD1-CD2 3.41Å; L79-L99 VanDerWaalsContact CD1-CD2 3.41Å; L79-F104 HydrophobicContact CB-CE2 3.62Å; L79-F104 HydrophobicContact CB-CZ 3.58Å; L79-F104 HydrophobicContact CD1-CZ 4.36Å; L79-F104 HydrophobicContact CD2-CZ 4.25Å; L79-F104 HydrophobicContact CG-CZ 4.28Å; L79-F113 HydrophobicContact CD2-CD1 3.63Å; L79-F113 HydrophobicContact CD2-CD2 4.43Å; L79-F113 HydrophobicContact CD2-CE1 3.64Å; L79-F113 HydrophobicContact CD2-CE2 4.45Å; L79-F113 HydrophobicContact CD2-CG 4.06Å; L79-F113 HydrophobicContact CD2-CZ 4.08Å; L79-I115 HydrophobicContact CD1-CD1 3.34Å; L79-I115 HydrophobicContact CD1-CG1 4.2Å; L79-I141 HydrophobicContact CD2-CG1 4.35Å
80	R	96.5	Very high	97.8	Very high	113 Å²	113	40.5 Å²	40.5	43%	0.426	18%	0.182	S	C	.	.	H	α-helix	trans	-56.5	-28.9	173.2	-80.8	176.9	176.2	128.1	5	113	A76 D77 Q82 K101 A102	A76-R80 WeakPolarHBondContact O-CG 3.5Å; A76-R80 PolarHBondContact O-N 2.95Å; D77-R80 PolarHBondContact O-N 3.39Å; D77-R80 IonicContact OD1-CZ 3.98Å; D77-R80 IonicContact OD1-NH1 3.83Å; D77-R80 PolarHBondContact OD1-NH1 3.03Å; R80-Q82 VanDerWaalsContact C-N 3.34Å; R80-K101 PolarHBondContact NH2-O 2.89Å; R80-K101 VanDerWaalsContact NH2-O 3.14Å; R80-A102 HydrophobicContact CG-CB 3.85Å
81	R	93.7	Very high	97.6	Very high	166 Å²	166	41.1 Å²	41.1	63%	0.626	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	5.2	-179.3	-59.5	-179.7	-178	160.5	1	113.6	F78 L79	F78-R81 PolarHBondContact O-N 3.39Å; L79-R81 PolarHBondContact O-N 2.79Å; L79-R81 VanDerWaalsContact O-N 3.15Å
82	Q	96	Very high	97.4	Very high	49 Å²	49	44.6 Å²	44.6	23%	0.229	21%	0.206	C	C	.	.	S	Bend	trans	-108.2	147.7	-176.2	-52.3	-50.4	-49	0	0	111.4	F78 L79 R80 F113	F78-Q82 HydrophobicContact CD1-CG 4.49Å; F78-Q82 HydrophobicContact CE1-CG 4.15Å; F78-Q82 HydrophobicContact CZ-CG 4.44Å; F78-Q82 WeakPolarHBondContact O-CG 3.17Å; F78-Q82 PolarHBondContact O-NE2 3.34Å; L79-Q82 HydrophobicContact CD2-CG 4.49Å; L79-Q82 WeakPolarHBondContact O-CB 3.38Å; L79-Q82 PolarHBondContact O-N 3.48Å; R80-Q82 VanDerWaalsContact C-N 3.34Å; Q82-F113 HydrophobicContact CB-CE1 4.18Å; Q82-F113 HydrophobicContact CB-CZ 3.65Å; Q82-F113 HydrophobicContact CG-CE1 4.45Å; Q82-F113 HydrophobicContact CG-CZ 4.39Å
83	E	96.9	Very high	97.1	Very high	180 Å²	180	47.1 Å²	47.1	84%	0.841	23%	0.231	S	C	*	.	S	Bend	trans	-72.3	141.2	166.4	-63.9	-173.6	163.8	0	0	110.6	F113	E83-F113 WeakPolarHBondContact O-CE2 3.36Å; E83-F113 VanDerWaalsContact O-CZ 3.22Å; E83-F113 WeakPolarHBondContact O-CZ 3.49Å
84	G	97.4	Very high	97	Very high	23 Å²	23	46 Å²	46	24%	0.237	23%	0.226	C	C	.	.			trans	103.3	147.3	-172.7	0	0	0	0	0	112.6	D112	G84-D112 WeakPolarHBondContact CA-OD2 3.5Å
85	K	97.6	Very high	97	Very high	87 Å²	87	46 Å²	46	38%	0.378	23%	0.227	S	C	.	.			trans	-138.5	3.6	-178.1	-67.7	-63.6	176.5	-170	0	113.5	A102 F104 T105 D112	K85-A102 PolarHBondContact NZ-O 3.26Å; K85-F104 HydrophobicContact CD-CE2 4.27Å; K85-F104 HydrophobicContact CD-CZ 4.34Å; K85-F104 CarbonylContact O-C 3.26Å; K85-F104 WeakPolarHBondContact O-CA 3.28Å; K85-F104 WeakPolarHBondContact O-CD1 3.4Å; K85-T105 PolarHBondContact O-N 2.76Å; K85-D112 PolarHBondContact N-OD2 3.3Å
86	K	98.6	Very high	96.9	Very high	100 Å²	100	47.9 Å²	47.9	44%	0.435	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.7	176	-65.2	177.7	-177.3	177.2	0	109.8	T105 T107 D112 F113	K86-T105 WeakPolarHBondContact CA-O 3.36Å; K86-T107 HydrophobicContact CB-CG2 3.76Å; K86-T107 HydrophobicContact CD-CG2 4.36Å; K86-T107 HydrophobicContact CG-CG2 4.17Å; K86-D112 WeakPolarHBondContact CB-OD2 3.33Å; K86-D112 PolarHBondContact N-OD2 2.63Å; K86-D112 WeakPolarHBondContact O-CB 3.24Å; K86-D112 PolarHBondContact O-N 3Å; K86-F113 PolarHBondContact O-N 3.31Å; K86-F113 VanDerWaalsContact O-N 3.12Å
87	A	98.7	Very high	96.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.2	178.3	0	0	0	0	0	111.4	V89 F104 T105 I106 T107 F113 I115	A87-V89 HydrophobicContact CB-CG2 4Å; A87-F104 HydrophobicContact CB-CD1 3.97Å; A87-T105 PolarHBondContact N-O 2.81Å; A87-I106 HydrophobicContact CB-CD1 4.42Å; A87-I106 CarbonylContact O-C 3.52Å; A87-I106 VanDerWaalsContact O-CA 3.29Å; A87-I106 WeakPolarHBondContact O-CA 3.46Å; A87-T107 PolarHBondContact O-N 3.14Å; A87-F113 CarbonylContact C-O 3.5Å; A87-F113 WeakPolarHBondContact CA-O 3.5Å; A87-F113 HydrophobicContact CB-CB 4.3Å; A87-I115 HydrophobicContact CB-CD1 3.62Å; A87-I115 HydrophobicContact CB-CG1 4.33Å
88	Y	98.7	Very high	96.9	Very high	22 Å²	22	50.4 Å²	50.4	9%	0.086	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.9	159.5	-178.5	-101.2	0	0	0	108.1	V90 T107 D108 F113 V114 I115 M126 K129 A130 F133	Y88-V90 HydrophobicContact CD1-CG2 4.42Å; Y88-V90 HydrophobicContact CE1-CG2 3.87Å; Y88-T107 WeakPolarHBondContact CA-O 3.29Å; Y88-T107 WeakPolarHBondContact CB-O 3.41Å; Y88-D108 HydrophobicContact CD2-CB 3.91Å; Y88-D108 HydrophobicContact CE2-CB 3.97Å; Y88-F113 PolarHBondContact N-O 3.16Å; Y88-V114 HydrophobicContact CD1-CG2 4.45Å; Y88-V114 WeakPolarHBondContact O-CA 3.24Å; Y88-I115 PolarHBondContact O-N 2.97Å; Y88-M126 WeakPolarHBondContact OH-CA 3.43Å; Y88-K129 HydrophobicContact CE1-CB 4.01Å; Y88-K129 HydrophobicContact CE2-CB 4.22Å; Y88-K129 HydrophobicContact CE2-CD 4.12Å; Y88-A130 HydrophobicContact CD1-CB 4.17Å; Y88-A130 HydrophobicContact CE1-CB 3.91Å; Y88-F133 HydrophobicContact CD1-CD2 4.01Å; Y88-F133 HydrophobicContact CD1-CE2 4.25Å; Y88-F133 HydrophobicContact CD2-CD2 4.27Å; Y88-F133 AromaticContact CD2-CE2 3.76Å; Y88-F133 HydrophobicContact CD2-CE2 3.76Å; Y88-F133 HydrophobicContact CE2-CE2 4.24Å; Y88-F133 AromaticContact CG-CD2 3.78Å; Y88-F133 HydrophobicContact CG-CD2 3.78Å; Y88-F133 AromaticContact CG-CE2 3.76Å; Y88-F133 HydrophobicContact CG-CE2 3.76Å
89	V	98.4	Very high	96.9	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.2	-171.7	-176	0	0	0	0	110.5	A87 L95 I96 L99 I106 I115	A87-V89 HydrophobicContact CB-CG2 4Å; V89-L95 HydrophobicContact CG1-CD2 3.83Å; V89-L95 HydrophobicContact CG1-CG 4.33Å; V89-I96 HydrophobicContact CB-CD1 3.83Å; V89-I96 HydrophobicContact CG1-CD1 3.62Å; V89-I96 HydrophobicContact CG2-CD1 4.29Å; V89-L99 HydrophobicContact CG1-CD1 4.27Å; V89-L99 HydrophobicContact CG2-CD1 3.57Å; V89-I106 HydrophobicContact CB-CG2 4.37Å; V89-I106 HydrophobicContact CG2-CD1 3.68Å; V89-I106 HydrophobicContact CG2-CG2 4.24Å; V89-I115 WeakPolarHBondContact CA-O 3.35Å; V89-I115 HydrophobicContact CG2-CB 4.29Å; V89-I115 HydrophobicContact CG2-CD1 4.39Å
90	V	98.1	Very high	96.9	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	91	166	-179.1	0	0	0	0	106.3	Y88 I115 V116 G117 T119 Y122 M126 A130	Y88-V90 HydrophobicContact CD1-CG2 4.42Å; Y88-V90 HydrophobicContact CE1-CG2 3.87Å; V90-I115 PolarHBondContact N-O 3Å; V90-V116 HydrophobicContact CB-CG1 4.4Å; V90-V116 HydrophobicContact CB-CG2 4.14Å; V90-V116 HydrophobicContact CG1-CG1 4.46Å; V90-V116 HydrophobicContact CG2-CG2 4.41Å; V90-V116 WeakPolarHBondContact O-CA 3.22Å; V90-G117 PolarHBondContact O-N 3.04Å; V90-T119 HydrophobicContact CG1-CG2 4.11Å; V90-Y122 HydrophobicContact CG1-CD2 3.58Å; V90-Y122 HydrophobicContact CG1-CE2 3.94Å; V90-M126 HydrophobicContact CG2-CB 4.38Å; V90-A130 HydrophobicContact CG2-CB 4.07Å
91	G	95.3	Very high	96.9	Very high	15 Å²	15	56 Å²	56	16%	0.155	27%	0.271	C	S	.	.			trans	166.4	168.5	-170.8	0	0	0	0	0	110.8
92	E	92.4	Very high	97.1	Very high	73 Å²	73	48.6 Å²	48.6	34%	0.341	25%	0.245	S	C	.	.			trans	-145	-179.2	-176	66	-157.1	147.1	0	0	111.6	A94 L95 T119 R120 S121	E92-A94 PolarHBondContact O-N 2.84Å; E92-L95 PolarHBondContact O-N 3.49Å; E92-T119 WeakPolarHBondContact OE1-CA 3.41Å; E92-T119 WeakPolarHBondContact OE1-CB 3.49Å; E92-T119 PolarHBondContact OE1-OG1 3.49Å; E92-R120 PolarHBondContact OE1-N 3.01Å; E92-R120 VanDerWaalsContact OE1-N 3.17Å; E92-S121 PolarHBondContact OE2-OG 3.03Å
93	G	93.2	Very high	97.2	Very high	52 Å²	52	48.5 Å²	48.5	54%	0.536	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	-127.2	170.4	0	0	0	0	0	114	L95 I96 H97	G93-L95 VanDerWaalsContact C-N 3.25Å; G93-L95 PolarHBondContact O-N 3.41Å; G93-I96 PolarHBondContact O-N 3.15Å; G93-I96 VanDerWaalsContact O-N 3.1Å; G93-H97 PolarHBondContact O-N 2.66Å
94	A	96.4	Very high	97.2	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-33.4	-173.3	0	0	0	0	0	113.7	S46 Q47 T48 E92 I96 H97 E98	S46-A94 WeakPolarHBondContact O-CB 2.86Å; Q47-A94 WeakPolarHBondContact O-CB 3.42Å; T48-A94 HydrophobicContact CG2-CB 3.62Å; E92-A94 PolarHBondContact O-N 2.84Å; A94-I96 PolarHBondContact O-N 3.5Å; A94-H97 WeakPolarHBondContact O-CB 3.45Å; A94-H97 PolarHBondContact O-N 2.97Å; A94-E98 WeakPolarHBondContact O-CG 3.3Å; A94-E98 PolarHBondContact O-N 3.04Å
95	L	98.1	Very high	97.3	Very high	2 Å²	2	43 Å²	43	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-47.8	175.5	177.5	60.1	0	0	0	111.8	A72 V89 E92 G93 H97 E98 L99 I115 T143	A72-L95 HydrophobicContact CB-CB 4.2Å; A72-L95 HydrophobicContact CB-CD1 4.1Å; V89-L95 HydrophobicContact CG1-CD2 3.83Å; V89-L95 HydrophobicContact CG1-CG 4.33Å; E92-L95 PolarHBondContact O-N 3.49Å; G93-L95 VanDerWaalsContact C-N 3.25Å; G93-L95 PolarHBondContact O-N 3.41Å; L95-H97 VanDerWaalsContact C-N 3.31Å; L95-H97 PolarHBondContact O-N 3.25Å; L95-E98 PolarHBondContact O-N 2.78Å; L95-L99 HydrophobicContact CD1-CD1 4.05Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CG-CD1 4.07Å; L95-L99 VanDerWaalsContact O-CG 3.24Å; L95-L99 WeakPolarHBondContact O-CG 3.23Å; L95-L99 PolarHBondContact O-N 3.41Å; L95-I115 HydrophobicContact CD1-CG2 4.44Å; L95-I115 HydrophobicContact CD2-CG2 4.32Å; L95-T143 HydrophobicContact CD1-CG2 3.84Å; L95-T143 HydrophobicContact CD2-CG2 4Å
96	I	97.3	Very high	97.3	Very high	38 Å²	38	41.2 Å²	41.2	20%	0.195	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-42.2	179.2	-63.6	-66	0	0	0	110.5	V89 G93 A94 L99 Y100 I106	V89-I96 HydrophobicContact CB-CD1 3.83Å; V89-I96 HydrophobicContact CG1-CD1 3.62Å; V89-I96 HydrophobicContact CG2-CD1 4.29Å; G93-I96 PolarHBondContact O-N 3.15Å; G93-I96 VanDerWaalsContact O-N 3.1Å; A94-I96 PolarHBondContact O-N 3.5Å; I96-L99 PolarHBondContact O-N 3.22Å; I96-Y100 HydrophobicContact CG2-CD2 3.7Å; I96-Y100 HydrophobicContact CG2-CE2 3.31Å; I96-Y100 VanDerWaalsContact O-CD2 3.23Å; I96-Y100 WeakPolarHBondContact O-CD2 3.42Å; I96-Y100 PolarHBondContact O-N 2.8Å; I96-I106 HydrophobicContact CD1-CG1 4.38Å
97	H	97.1	Very high	97.3	Very high	87 Å²	87	38 Å²	38	40%	0.403	21%	0.214	S	C	.	.	H	α-helix	trans	-59.4	-48.7	176.9	-178.5	65.9	0	0	0	112.9	G93 A94 L95 L99 Y100 K101	G93-H97 PolarHBondContact O-N 2.66Å; A94-H97 WeakPolarHBondContact O-CB 3.45Å; A94-H97 PolarHBondContact O-N 2.97Å; L95-H97 VanDerWaalsContact C-N 3.31Å; L95-H97 PolarHBondContact O-N 3.25Å; H97-L99 VanDerWaalsContact C-N 3.33Å; H97-L99 PolarHBondContact O-N 3.49Å; H97-Y100 PolarHBondContact O-N 3.17Å; H97-K101 WeakPolarHBondContact NE2-CE 3.47Å; H97-K101 PolarHBondContact NE2-NZ 3.43Å; H97-K101 PolarHBondContact O-N 2.6Å
98	E	98.1	Very high	97.2	Very high	16 Å²	16	41.8 Å²	41.8	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-32.8	-179.8	-67.3	-52.9	133.6	0	0	112.4	M73 A76 A94 L95 K101 A102	M73-E98 HydrophobicContact CG-CG 3.96Å; A76-E98 HydrophobicContact CB-CB 3.85Å; A76-E98 WeakPolarHBondContact CB-O 3.47Å; A94-E98 WeakPolarHBondContact O-CG 3.3Å; A94-E98 PolarHBondContact O-N 3.04Å; L95-E98 PolarHBondContact O-N 2.78Å; E98-K101 PolarHBondContact O-N 2.95Å; E98-K101 IonicContact OE1-NZ 2.76Å; E98-K101 PolarHBondContact OE1-NZ 2.97Å; E98-K101 WeakPolarHBondContact OE2-CD 3.37Å; E98-K101 IonicContact OE2-NZ 3.71Å; E98-A102 PolarHBondContact O-N 3.05Å
99	L	98.3	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-42.9	173.2	-69.4	174.5	0	0	0	112.3	L79 V89 L95 I96 H97 K101 A102 G103 F104 I106 I115	L79-L99 HydrophobicContact CD1-CD2 3.41Å; L79-L99 VanDerWaalsContact CD1-CD2 3.41Å; V89-L99 HydrophobicContact CG1-CD1 4.27Å; V89-L99 HydrophobicContact CG2-CD1 3.57Å; L95-L99 HydrophobicContact CD1-CD1 4.05Å; L95-L99 HydrophobicContact CD1-CG 4.17Å; L95-L99 HydrophobicContact CG-CD1 4.07Å; L95-L99 VanDerWaalsContact O-CG 3.24Å; L95-L99 WeakPolarHBondContact O-CG 3.23Å; L95-L99 PolarHBondContact O-N 3.41Å; I96-L99 PolarHBondContact O-N 3.22Å; H97-L99 VanDerWaalsContact C-N 3.33Å; H97-L99 PolarHBondContact O-N 3.49Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 2.99Å; L99-A102 CarbonylContact O-C 3.41Å; L99-A102 WeakPolarHBondContact O-CA 3.48Å; L99-A102 WeakPolarHBondContact O-CB 3.33Å; L99-A102 PolarHBondContact O-N 2.68Å; L99-G103 PolarHBondContact O-N 3.37Å; L99-F104 HydrophobicContact CB-CB 4.22Å; L99-F104 WeakPolarHBondContact O-CB 3.34Å; L99-F104 PolarHBondContact O-N 3.4Å; L99-I106 HydrophobicContact CB-CD1 4.22Å; L99-I106 HydrophobicContact CD1-CD1 4.17Å; L99-I115 HydrophobicContact CD1-CD1 3.78Å; L99-I115 HydrophobicContact CD2-CD1 3.7Å; L99-I115 HydrophobicContact CG-CD1 4.42Å
100	Y	98	Very high	97.1	Very high	134 Å²	134	50.3 Å²	50.3	53%	0.525	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-42.9	173.5	-76.4	-51.8	0	0	0	111.8	I96 H97 A102 G103 F104 I106	I96-Y100 HydrophobicContact CG2-CD2 3.7Å; I96-Y100 HydrophobicContact CG2-CE2 3.31Å; I96-Y100 VanDerWaalsContact O-CD2 3.23Å; I96-Y100 WeakPolarHBondContact O-CD2 3.42Å; I96-Y100 PolarHBondContact O-N 2.8Å; H97-Y100 PolarHBondContact O-N 3.17Å; Y100-A102 PolarHBondContact O-N 2.75Å; Y100-G103 WeakPolarHBondContact O-CA 3.43Å; Y100-G103 PolarHBondContact O-N 2.92Å; Y100-F104 VanDerWaalsContact CD1-O 3.3Å; Y100-F104 WeakPolarHBondContact CD1-O 3.19Å; Y100-I106 HydrophobicContact CE1-CG1 3.87Å; Y100-I106 HydrophobicContact CE2-CG1 4.37Å
101	K	97.1	Very high	97.1	Very high	115 Å²	115	50.9 Å²	50.9	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-61	-24.1	172.4	-76	174.5	167.9	173.6	0	113.8	R80 H97 E98 L99 G103	R80-K101 PolarHBondContact NH2-O 2.89Å; R80-K101 VanDerWaalsContact NH2-O 3.14Å; H97-K101 WeakPolarHBondContact NE2-CE 3.47Å; H97-K101 PolarHBondContact NE2-NZ 3.43Å; H97-K101 PolarHBondContact O-N 2.6Å; E98-K101 PolarHBondContact O-N 2.95Å; E98-K101 IonicContact OE1-NZ 2.76Å; E98-K101 PolarHBondContact OE1-NZ 2.97Å; E98-K101 WeakPolarHBondContact OE2-CD 3.37Å; E98-K101 IonicContact OE2-NZ 3.71Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 2.99Å; K101-G103 VanDerWaalsContact C-N 3.3Å
102	A	97.4	Very high	97.3	Very high	9 Å²	9	53.2 Å²	53.2	7%	0.074	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.9	173.8	0	0	0	0	0	113.6	A76 R80 K85 E98 L99 Y100 F104	A76-A102 HydrophobicContact CB-CB 4.07Å; R80-A102 HydrophobicContact CG-CB 3.85Å; K85-A102 PolarHBondContact NZ-O 3.26Å; E98-A102 PolarHBondContact O-N 3.05Å; L99-A102 CarbonylContact O-C 3.41Å; L99-A102 WeakPolarHBondContact O-CA 3.48Å; L99-A102 WeakPolarHBondContact O-CB 3.33Å; L99-A102 PolarHBondContact O-N 2.68Å; Y100-A102 PolarHBondContact O-N 2.75Å; A102-F104 HydrophobicContact CB-CD2 3.87Å; A102-F104 HydrophobicContact CB-CE2 4.17Å
103	G	97.5	Very high	97.6	Very high	48 Å²	48	49.7 Å²	49.7	50%	0.495	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	22.3	178.1	0	0	0	0	0	114	L99 Y100 K101	L99-G103 PolarHBondContact O-N 3.37Å; Y100-G103 WeakPolarHBondContact O-CA 3.43Å; Y100-G103 PolarHBondContact O-N 2.92Å; K101-G103 VanDerWaalsContact C-N 3.3Å
104	F	98.2	Very high	97.8	Very high	5 Å²	5	47.2 Å²	47.2	2%	0.022	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-83.6	143.5	177.7	-79.7	-100	0	0	0	112.3	L79 K85 A87 L99 Y100 A102 F113	L79-F104 HydrophobicContact CB-CE2 3.62Å; L79-F104 HydrophobicContact CB-CZ 3.58Å; L79-F104 HydrophobicContact CD1-CZ 4.36Å; L79-F104 HydrophobicContact CD2-CZ 4.25Å; L79-F104 HydrophobicContact CG-CZ 4.28Å; K85-F104 HydrophobicContact CD-CE2 4.27Å; K85-F104 HydrophobicContact CD-CZ 4.34Å; K85-F104 CarbonylContact O-C 3.26Å; K85-F104 WeakPolarHBondContact O-CA 3.28Å; K85-F104 WeakPolarHBondContact O-CD1 3.4Å; A87-F104 HydrophobicContact CB-CD1 3.97Å; L99-F104 HydrophobicContact CB-CB 4.22Å; L99-F104 WeakPolarHBondContact O-CB 3.34Å; L99-F104 PolarHBondContact O-N 3.4Å; Y100-F104 VanDerWaalsContact CD1-O 3.3Å; Y100-F104 WeakPolarHBondContact CD1-O 3.19Å; A102-F104 HydrophobicContact CB-CD2 3.87Å; A102-F104 HydrophobicContact CB-CE2 4.17Å; F104-F113 AromaticContact CE1-CD2 3.73Å; F104-F113 HydrophobicContact CE1-CD2 3.73Å; F104-F113 AromaticContact CE1-CE2 3.9Å; F104-F113 HydrophobicContact CE1-CE2 3.9Å; F104-F113 HydrophobicContact CZ-CD2 4.49Å; F104-F113 HydrophobicContact CZ-CE2 4.3Å
105	T	98.2	Very high	97.9	Very high	83 Å²	83	47.1 Å²	47.1	51%	0.509	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124	165.2	-59.2	0	0	0	0	108.7	K85 K86 A87	K85-T105 PolarHBondContact O-N 2.76Å; K86-T105 WeakPolarHBondContact CA-O 3.36Å; A87-T105 PolarHBondContact N-O 2.81Å
106	I	98	Very high	98	Very high	48 Å²	48	47 Å²	47	25%	0.246	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.6	175.6	-48.3	-52.3	0	0	0	108.7	A87 V89 I96 L99 Y100	A87-I106 HydrophobicContact CB-CD1 4.42Å; A87-I106 CarbonylContact O-C 3.52Å; A87-I106 VanDerWaalsContact O-CA 3.29Å; A87-I106 WeakPolarHBondContact O-CA 3.46Å; V89-I106 HydrophobicContact CB-CG2 4.37Å; V89-I106 HydrophobicContact CG2-CD1 3.68Å; V89-I106 HydrophobicContact CG2-CG2 4.24Å; I96-I106 HydrophobicContact CD1-CG1 4.38Å; L99-I106 HydrophobicContact CB-CD1 4.22Å; L99-I106 HydrophobicContact CD1-CD1 4.17Å; Y100-I106 HydrophobicContact CE1-CG1 3.87Å; Y100-I106 HydrophobicContact CE2-CG1 4.37Å
107	T	98.1	Very high	98	Very high	34 Å²	34	45.2 Å²	45.2	21%	0.209	24%	0.243	C	C	.	.			trans	-155.4	150.2	-171.8	-175.7	0	0	0	0	112.4	K86 A87 Y88 V109 P111	K86-T107 HydrophobicContact CB-CG2 3.76Å; K86-T107 HydrophobicContact CD-CG2 4.36Å; K86-T107 HydrophobicContact CG-CG2 4.17Å; A87-T107 PolarHBondContact O-N 3.14Å; Y88-T107 WeakPolarHBondContact CA-O 3.29Å; Y88-T107 WeakPolarHBondContact CB-O 3.41Å; T107-V109 PolarHBondContact OG1-N 3.39Å; T107-P111 HydrophobicContact CG2-CB 4.49Å
108	D	97.5	Very high	97.9	Very high	79 Å²	79	42.7 Å²	42.7	42%	0.422	23%	0.232	S	C	.	.	S	Bend	trans	-102.7	17.4	166.9	68.8	-13.6	0	0	0	112.6	Y88 K129 F133	Y88-D108 HydrophobicContact CD2-CB 3.91Å; Y88-D108 HydrophobicContact CE2-CB 3.97Å; D108-K129 IonicContact OD2-NZ 3.76Å; D108-K129 PolarHBondContact OD2-NZ 3.45Å; D108-K129 VanDerWaalsContact OD2-NZ 3.17Å; D108-F133 HydrophobicContact CB-CE2 4.43Å; D108-F133 HydrophobicContact CB-CZ 4.36Å; D108-F133 WeakPolarHBondContact O-CZ 3.24Å
109	V	97.7	Very high	97.7	Very high	86 Å²	86	42.6 Å²	42.6	52%	0.521	23%	0.232	S	C	.	.	S	Bend	trans	-115.9	108.2	176.5	-175.9	0	0	0	0	110.2	T107	T107-V109 PolarHBondContact OG1-N 3.39Å
110	N	96.5	Very high	97.4	Very high	130 Å²	130	52.9 Å²	52.9	70%	0.695	27%	0.271	S	S	*	.	S	Bend	trans	44	60.2	177.5	-61.5	-35.8	0	0	0	113.3
111	P	98.7	Very high	97.1	Very high	11 Å²	11	49.3 Å²	49.3	7%	0.071	27%	0.266	C	S	.	.			trans	-71.3	145.1	179.1	32.9	-37.5	0	0	0	111.5	T107 F133 A138	T107-P111 HydrophobicContact CG2-CB 4.49Å; P111-F133 HydrophobicContact CG-CB 3.94Å; P111-F133 HydrophobicContact CG-CD1 3.81Å; P111-F133 HydrophobicContact CG-CD2 3.66Å; P111-F133 HydrophobicContact CG-CE1 4.26Å; P111-F133 HydrophobicContact CG-CE2 4.11Å; P111-F133 HydrophobicContact CG-CG 3.52Å; P111-F133 HydrophobicContact CG-CZ 4.41Å; P111-A138 WeakPolarHBondContact O-CB 3.17Å
112	D	98.7	Very high	97.1	Very high	64 Å²	64	46.9 Å²	46.9	34%	0.342	25%	0.254	S	S	.	.	S	Bend	trans	-75.5	-30.8	172.5	-51.6	-56.8	0	0	0	110.8	G84 K85 K86 A138 R139	G84-D112 WeakPolarHBondContact CA-OD2 3.5Å; K85-D112 PolarHBondContact N-OD2 3.3Å; K86-D112 WeakPolarHBondContact CB-OD2 3.33Å; K86-D112 PolarHBondContact N-OD2 2.63Å; K86-D112 WeakPolarHBondContact O-CB 3.24Å; K86-D112 PolarHBondContact O-N 3Å; D112-A138 WeakPolarHBondContact O-CA 3.35Å; D112-R139 PolarHBondContact O-N 3.27Å
113	F	98.9	Very high	97	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.8	-177.2	-59.4	-90.7	0	0	0	112.2	L79 Q82 E83 K86 A87 Y88 F104 I115 R139 I141	L79-F113 HydrophobicContact CD2-CD1 3.63Å; L79-F113 HydrophobicContact CD2-CD2 4.43Å; L79-F113 HydrophobicContact CD2-CE1 3.64Å; L79-F113 HydrophobicContact CD2-CE2 4.45Å; L79-F113 HydrophobicContact CD2-CG 4.06Å; L79-F113 HydrophobicContact CD2-CZ 4.08Å; Q82-F113 HydrophobicContact CB-CE1 4.18Å; Q82-F113 HydrophobicContact CB-CZ 3.65Å; Q82-F113 HydrophobicContact CG-CE1 4.45Å; Q82-F113 HydrophobicContact CG-CZ 4.39Å; E83-F113 WeakPolarHBondContact O-CE2 3.36Å; E83-F113 VanDerWaalsContact O-CZ 3.22Å; E83-F113 WeakPolarHBondContact O-CZ 3.49Å; K86-F113 PolarHBondContact O-N 3.31Å; K86-F113 VanDerWaalsContact O-N 3.12Å; A87-F113 CarbonylContact C-O 3.5Å; A87-F113 WeakPolarHBondContact CA-O 3.5Å; A87-F113 HydrophobicContact CB-CB 4.3Å; Y88-F113 PolarHBondContact N-O 3.16Å; F104-F113 AromaticContact CE1-CD2 3.73Å; F104-F113 HydrophobicContact CE1-CD2 3.73Å; F104-F113 AromaticContact CE1-CE2 3.9Å; F104-F113 HydrophobicContact CE1-CE2 3.9Å; F104-F113 HydrophobicContact CZ-CD2 4.49Å; F104-F113 HydrophobicContact CZ-CE2 4.3Å; F113-I115 HydrophobicContact CB-CD1 4.35Å; F113-I115 HydrophobicContact CB-CG1 4.03Å; F113-R139 WeakPolarHBondContact CA-O 3.28Å; F113-R139 HydrophobicContact CD1-CB 3.65Å; F113-R139 HydrophobicContact CE1-CB 3.92Å; F113-R139 HydrophobicContact CE1-CG 4.42Å; F113-I141 HydrophobicContact CD1-CG1 4.05Å
114	V	98.9	Very high	97	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.1	157.9	170.9	0	0	0	0	107.2	Y88 V116 A130 F133 V134 A138 R139 F140 I141	Y88-V114 HydrophobicContact CD1-CG2 4.45Å; Y88-V114 WeakPolarHBondContact O-CA 3.24Å; V114-V116 HydrophobicContact CG1-CG2 4.43Å; V114-A130 HydrophobicContact CG1-CB 3.77Å; V114-F133 HydrophobicContact CG2-CB 3.6Å; V114-F133 HydrophobicContact CG2-CD2 4.38Å; V114-F133 HydrophobicContact CG2-CG 4.49Å; V114-V134 HydrophobicContact CB-CG2 3.64Å; V114-V134 HydrophobicContact CG1-CG2 4Å; V114-V134 HydrophobicContact CG2-CG2 3.73Å; V114-A138 HydrophobicContact CG2-CB 3.99Å; V114-R139 PolarHBondContact N-O 2.93Å; V114-F140 HydrophobicContact CG1-CD2 4.22Å; V114-F140 HydrophobicContact CG1-CE2 4.5Å; V114-I141 PolarHBondContact O-N 2.92Å
115	I	98.8	Very high	97	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.8	-177.6	-53.3	166.1	0	0	0	108.4	T75 L79 A87 Y88 V89 V90 L95 L99 F113 I141	T75-I115 HydrophobicContact CG2-CG2 3.98Å; L79-I115 HydrophobicContact CD1-CD1 3.34Å; L79-I115 HydrophobicContact CD1-CG1 4.2Å; A87-I115 HydrophobicContact CB-CD1 3.62Å; A87-I115 HydrophobicContact CB-CG1 4.33Å; Y88-I115 PolarHBondContact O-N 2.97Å; V89-I115 WeakPolarHBondContact CA-O 3.35Å; V89-I115 HydrophobicContact CG2-CB 4.29Å; V89-I115 HydrophobicContact CG2-CD1 4.39Å; V90-I115 PolarHBondContact N-O 3Å; L95-I115 HydrophobicContact CD1-CG2 4.44Å; L95-I115 HydrophobicContact CD2-CG2 4.32Å; L99-I115 HydrophobicContact CD1-CD1 3.78Å; L99-I115 HydrophobicContact CD2-CD1 3.7Å; L99-I115 HydrophobicContact CG-CD1 4.42Å; F113-I115 HydrophobicContact CB-CD1 4.35Å; F113-I115 HydrophobicContact CB-CG1 4.03Å; I115-I141 CarbonylContact C-O 3.38Å; I115-I141 VanDerWaalsContact CA-O 3.32Å; I115-I141 WeakPolarHBondContact CA-O 3.42Å; I115-I141 HydrophobicContact CG1-CB 4.38Å
116	V	98.7	Very high	97	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122	176.6	-177.4	0	0	0	0	109.2	V90 V114 F140 I141 A142 T143 C156 L159 I163	V90-V116 HydrophobicContact CB-CG1 4.4Å; V90-V116 HydrophobicContact CB-CG2 4.14Å; V90-V116 HydrophobicContact CG1-CG1 4.46Å; V90-V116 HydrophobicContact CG2-CG2 4.41Å; V90-V116 WeakPolarHBondContact O-CA 3.22Å; V114-V116 HydrophobicContact CG1-CG2 4.43Å; V116-F140 HydrophobicContact CB-CE2 4.48Å; V116-F140 HydrophobicContact CG2-CE2 3.66Å; V116-F140 HydrophobicContact CG2-CZ 4.46Å; V116-I141 PolarHBondContact N-O 3.06Å; V116-A142 WeakPolarHBondContact O-CA 3.48Å; V116-T143 PolarHBondContact O-N 2.95Å; V116-T143 PolarHBondContact O-OG1 3.49Å; V116-C156 PolarHBondContact O-SG 3.28Å; V116-L159 HydrophobicContact CG1-CB 3.99Å; V116-I163 HydrophobicContact CG2-CD1 3.74Å
117	G	97.6	Very high	97	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.			trans	-105.7	-171.5	163.9	0	0	0	0	0	111	V90	V90-G117 PolarHBondContact O-N 3.04Å
118	E	94.7	Very high	97	Very high	35 Å²	35	59.4 Å²	59.4	16%	0.164	29%	0.287	C	S	.	.			trans	-83.4	137.9	166.2	-167.3	176.6	132.5	0	0	109.9	Y44 P45	Y44-E118 WeakPolarHBondContact CE2-OE1 3.26Å; P45-E118 HydrophobicContact CG-CB 3.89Å
119	T	94.6	Very high	97.1	Very high	13 Å²	13	58.3 Å²	58.3	8%	0.08	28%	0.278	C	S	.	.			trans	-157.4	148.4	175	175.6	0	0	0	0	110.9	V90 E92 S121 L159	V90-T119 HydrophobicContact CG1-CG2 4.11Å; E92-T119 WeakPolarHBondContact OE1-CA 3.41Å; E92-T119 WeakPolarHBondContact OE1-CB 3.49Å; E92-T119 PolarHBondContact OE1-OG1 3.49Å; T119-S121 VanDerWaalsContact C-N 3.34Å; T119-S121 PolarHBondContact OG1-N 3.25Å; T119-L159 HydrophobicContact CG2-CD1 4.1Å
120	R	92.2	Very high	97.2	Very high	216 Å²	216	54.2 Å²	54.2	82%	0.815	25%	0.253	S	S	*	.	S	Bend	trans	-85	-11.7	172.3	-63.6	-175.1	178.2	-147.5	-1.6	113	E92 Y122	E92-R120 PolarHBondContact OE1-N 3.01Å; E92-R120 VanDerWaalsContact OE1-N 3.17Å; R120-Y122 VanDerWaalsContact C-N 3.27Å; R120-Y122 PolarHBondContact O-N 3.15Å
121	S	92.4	Very high	97.3	Very high	60 Å²	60	48 Å²	48	42%	0.42	22%	0.22	S	C	.	.			trans	-88.4	9.5	-175.7	-57.7	0	0	0	0	113.3	E92 T119 N123 M126	E92-S121 PolarHBondContact OE2-OG 3.03Å; T119-S121 VanDerWaalsContact C-N 3.34Å; T119-S121 PolarHBondContact OG1-N 3.25Å; S121-N123 PolarHBondContact O-N 3.35Å; S121-N123 PolarHBondContact O-ND2 3.3Å; S121-M126 VanDerWaalsContact O-SD 3.39Å
122	Y	95.7	Very high	97.3	Very high	64 Å²	64	53.6 Å²	53.6	25%	0.251	24%	0.241	S	C	.	.			trans	-62.2	126	-177.4	-172.4	-103.7	0	0	0	112	V90 R120 M127 L159	V90-Y122 HydrophobicContact CG1-CD2 3.58Å; V90-Y122 HydrophobicContact CG1-CE2 3.94Å; R120-Y122 VanDerWaalsContact C-N 3.27Å; R120-Y122 PolarHBondContact O-N 3.15Å; Y122-M127 HydrophobicContact CE1-CB 4.48Å; Y122-M127 HydrophobicContact CE2-CB 4.33Å; Y122-M127 VanDerWaalsContact OH-CB 3.23Å; Y122-M127 WeakPolarHBondContact OH-CB 3.45Å; Y122-M127 WeakPolarHBondContact OH-CG 3.46Å; Y122-M127 PolarHBondContact OH-SD 3.21Å; Y122-M127 VanDerWaalsContact OH-SD 3.4Å; Y122-L159 HydrophobicContact CD1-CD2 3.91Å; Y122-L159 HydrophobicContact CD2-CB 4.32Å; Y122-L159 HydrophobicContact CD2-CD1 4.33Å; Y122-L159 HydrophobicContact CD2-CD2 4.17Å; Y122-L159 HydrophobicContact CE1-CD2 4.36Å; Y122-L159 HydrophobicContact CE2-CB 4.24Å; Y122-L159 HydrophobicContact CG-CD1 4.46Å; Y122-L159 HydrophobicContact CG-CD2 3.79Å; Y122-L159 PolarHBondContact OH-O 3.32Å
123	N	96.7	Very high	97.3	Very high	72 Å²	72	51.7 Å²	51.7	39%	0.385	23%	0.23	S	C	.	.			trans	-144.7	175.2	-176.5	65	65.5	0	0	0	111.9	S121 D125 M126 M127	S121-N123 PolarHBondContact O-N 3.35Å; S121-N123 PolarHBondContact O-ND2 3.3Å; N123-D125 PolarHBondContact O-N 2.9Å; N123-D125 PolarHBondContact OD1-N 2.88Å; N123-M126 PolarHBondContact O-N 3.46Å; N123-M126 PolarHBondContact OD1-N 3.19Å; N123-M126 VanDerWaalsContact OD1-N 3.08Å; N123-M127 PolarHBondContact O-N 3Å; N123-M127 VanDerWaalsContact O-N 3.13Å
124	W	96.9	Very high	97.3	Very high	179 Å²	179	51.7 Å²	51.7	68%	0.678	23%	0.23	S	C	*	.	H	α-helix	trans	-59.6	-42.4	-176.2	-174.8	95.9	0	0	0	113.4	M126 M127 H128	W124-M126 VanDerWaalsContact C-N 3.34Å; W124-M126 PolarHBondContact O-N 3.41Å; W124-M127 PolarHBondContact O-N 3.32Å; W124-H128 HydrophobicContact CE3-CB 4.26Å; W124-H128 HydrophobicContact CH2-CB 4.06Å; W124-H128 AromaticContact CH2-CG 3.92Å; W124-H128 AromaticContact CH2-ND1 3.81Å; W124-H128 HydrophobicContact CZ2-CB 4.41Å; W124-H128 HydrophobicContact CZ3-CB 3.99Å; W124-H128 AromaticContact CZ3-ND1 3.82Å; W124-H128 WeakPolarHBondContact O-CB 3.39Å; W124-H128 PolarHBondContact O-N 2.9Å
125	D	98	Very high	97.3	Very high	67 Å²	67	54.2 Å²	54.2	36%	0.358	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-41.4	-179.7	-174.7	65.2	0	0	0	110.8	N123 M127 H128 K129	N123-D125 PolarHBondContact O-N 2.9Å; N123-D125 PolarHBondContact OD1-N 2.88Å; D125-M127 PolarHBondContact O-N 2.92Å; D125-H128 PolarHBondContact O-N 3.39Å; D125-K129 WeakPolarHBondContact O-CB 3.44Å; D125-K129 WeakPolarHBondContact O-CG 3.2Å; D125-K129 PolarHBondContact O-N 3.27Å; D125-K129 WeakPolarHBondContact OD2-CD 3.42Å; D125-K129 WeakPolarHBondContact OD2-CE 3.45Å; D125-K129 IonicContact OD2-NZ 3.14Å; D125-K129 PolarHBondContact OD2-NZ 3.24Å; D125-K129 VanDerWaalsContact OD2-NZ 3.14Å
126	M	98.1	Very high	97.2	Very high	47 Å²	47	59.5 Å²	59.5	23%	0.232	28%	0.279	C	S	.	.	H	α-helix	trans	-59.2	-47.9	176.5	-73.7	-179.7	175.2	0	0	112.3	Y88 V90 S121 N123 W124 A130	Y88-M126 WeakPolarHBondContact OH-CA 3.43Å; V90-M126 HydrophobicContact CG2-CB 4.38Å; S121-M126 VanDerWaalsContact O-SD 3.39Å; N123-M126 PolarHBondContact O-N 3.46Å; N123-M126 PolarHBondContact OD1-N 3.19Å; N123-M126 VanDerWaalsContact OD1-N 3.08Å; W124-M126 VanDerWaalsContact C-N 3.34Å; W124-M126 PolarHBondContact O-N 3.41Å; M126-A130 WeakPolarHBondContact O-CB 3.33Å; M126-A130 PolarHBondContact O-N 3.12Å
127	M	98.3	Very high	97.2	Very high	42 Å²	42	61.6 Å²	61.6	21%	0.207	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-47.4	177.1	-176.4	174.9	64.1	0	0	111.8	Y122 N123 W124 D125 A131 I163 I166	Y122-M127 HydrophobicContact CE1-CB 4.48Å; Y122-M127 HydrophobicContact CE2-CB 4.33Å; Y122-M127 VanDerWaalsContact OH-CB 3.23Å; Y122-M127 WeakPolarHBondContact OH-CB 3.45Å; Y122-M127 WeakPolarHBondContact OH-CG 3.46Å; Y122-M127 PolarHBondContact OH-SD 3.21Å; Y122-M127 VanDerWaalsContact OH-SD 3.4Å; N123-M127 PolarHBondContact O-N 3Å; N123-M127 VanDerWaalsContact O-N 3.13Å; W124-M127 PolarHBondContact O-N 3.32Å; D125-M127 PolarHBondContact O-N 2.92Å; M127-A131 VanDerWaalsContact O-CB 3.3Å; M127-A131 WeakPolarHBondContact O-CB 3.36Å; M127-A131 PolarHBondContact O-N 2.94Å; M127-I163 HydrophobicContact CG-CG1 4.24Å; M127-I166 HydrophobicContact CE-CD1 4.41Å; M127-I166 HydrophobicContact CG-CD1 4.22Å; M127-I166 HydrophobicContact SD-CD1 4.38Å
128	H	98.5	Very high	97.3	Very high	83 Å²	83	61.9 Å²	61.9	38%	0.384	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-52.2	-179.1	169.3	-133	0	0	0	111.5	W124 D125 A130 A131 Y132	W124-H128 HydrophobicContact CE3-CB 4.26Å; W124-H128 HydrophobicContact CH2-CB 4.06Å; W124-H128 AromaticContact CH2-CG 3.92Å; W124-H128 AromaticContact CH2-ND1 3.81Å; W124-H128 HydrophobicContact CZ2-CB 4.41Å; W124-H128 HydrophobicContact CZ3-CB 3.99Å; W124-H128 AromaticContact CZ3-ND1 3.82Å; W124-H128 WeakPolarHBondContact O-CB 3.39Å; W124-H128 PolarHBondContact O-N 2.9Å; D125-H128 PolarHBondContact O-N 3.39Å; H128-A130 PolarHBondContact O-N 2.96Å; H128-A131 PolarHBondContact O-N 3.2Å; H128-Y132 WeakPolarHBondContact O-CB 3.46Å; H128-Y132 PolarHBondContact O-N 3.01Å
129	K	98.7	Very high	97.5	Very high	55 Å²	55	64.9 Å²	64.9	24%	0.239	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-47.2	178.8	-75.5	-178.9	178.2	176.2	0	111.8	Y88 D108 D125 A131 Y132 F133	Y88-K129 HydrophobicContact CE1-CB 4.01Å; Y88-K129 HydrophobicContact CE2-CB 4.22Å; Y88-K129 HydrophobicContact CE2-CD 4.12Å; D108-K129 IonicContact OD2-NZ 3.76Å; D108-K129 PolarHBondContact OD2-NZ 3.45Å; D108-K129 VanDerWaalsContact OD2-NZ 3.17Å; D125-K129 WeakPolarHBondContact O-CB 3.44Å; D125-K129 WeakPolarHBondContact O-CG 3.2Å; D125-K129 PolarHBondContact O-N 3.27Å; D125-K129 WeakPolarHBondContact OD2-CD 3.42Å; D125-K129 WeakPolarHBondContact OD2-CE 3.45Å; D125-K129 IonicContact OD2-NZ 3.14Å; D125-K129 PolarHBondContact OD2-NZ 3.24Å; D125-K129 VanDerWaalsContact OD2-NZ 3.14Å; K129-A131 PolarHBondContact O-N 2.85Å; K129-Y132 PolarHBondContact O-N 2.86Å; K129-F133 HydrophobicContact CB-CD2 4.41Å; K129-F133 HydrophobicContact CB-CE2 3.92Å; K129-F133 WeakPolarHBondContact O-CD2 3.47Å; K129-F133 WeakPolarHBondContact O-CG 3.12Å; K129-F133 PolarHBondContact O-N 3.34Å
130	A	98.8	Very high	97.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56	-50.9	176.5	0	0	0	0	0	111.4	Y88 V90 V114 M126 H128 Y132 F133 V134 I163	Y88-A130 HydrophobicContact CD1-CB 4.17Å; Y88-A130 HydrophobicContact CE1-CB 3.91Å; V90-A130 HydrophobicContact CG2-CB 4.07Å; V114-A130 HydrophobicContact CG1-CB 3.77Å; M126-A130 WeakPolarHBondContact O-CB 3.33Å; M126-A130 PolarHBondContact O-N 3.12Å; H128-A130 PolarHBondContact O-N 2.96Å; A130-Y132 VanDerWaalsContact C-N 3.34Å; A130-Y132 PolarHBondContact O-N 2.8Å; A130-F133 PolarHBondContact O-N 3.34Å; A130-V134 VanDerWaalsContact O-CG2 3.31Å; A130-V134 WeakPolarHBondContact O-CG2 3.35Å; A130-V134 PolarHBondContact O-N 3.28Å; A130-I163 HydrophobicContact CB-CD1 3.59Å; A130-I163 HydrophobicContact CB-CG1 3.87Å; A130-I163 HydrophobicContact CB-CG2 4.17Å
131	A	98.8	Very high	98	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-41	179.3	0	0	0	0	0	112.7	M127 H128 K129 V134 A135 I163 I166	M127-A131 VanDerWaalsContact O-CB 3.3Å; M127-A131 WeakPolarHBondContact O-CB 3.36Å; M127-A131 PolarHBondContact O-N 2.94Å; H128-A131 PolarHBondContact O-N 3.2Å; K129-A131 PolarHBondContact O-N 2.85Å; A131-V134 PolarHBondContact O-N 3.21Å; A131-A135 VanDerWaalsContact O-CB 3.28Å; A131-A135 WeakPolarHBondContact O-CB 3.27Å; A131-A135 PolarHBondContact O-N 2.98Å; A131-I163 HydrophobicContact CB-CG2 4.35Å; A131-I166 HydrophobicContact CB-CB 3.64Å; A131-I166 HydrophobicContact CB-CD1 4.19Å; A131-I166 HydrophobicContact CB-CG2 3.51Å
132	Y	98.8	Very high	98.3	Very high	129 Å²	129	52 Å²	52	51%	0.506	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-48.5	176.5	177.9	-94.8	0	0	0	111.5	H128 K129 A130 V134 A135 N136	H128-Y132 WeakPolarHBondContact O-CB 3.46Å; H128-Y132 PolarHBondContact O-N 3.01Å; K129-Y132 PolarHBondContact O-N 2.86Å; A130-Y132 VanDerWaalsContact C-N 3.34Å; A130-Y132 PolarHBondContact O-N 2.8Å; Y132-V134 PolarHBondContact O-N 2.93Å; Y132-A135 PolarHBondContact O-N 3.27Å; Y132-N136 VanDerWaalsContact CE2-ND2 3.32Å; Y132-N136 WeakPolarHBondContact CE2-ND2 3.42Å; Y132-N136 WeakPolarHBondContact O-CB 3.48Å; Y132-N136 PolarHBondContact O-N 2.88Å; Y132-N136 PolarHBondContact O-ND2 3.39Å
133	F	98.9	Very high	98.4	Very high	24 Å²	24	49 Å²	49	11%	0.105	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-42.6	178.7	-64.6	-45.3	0	0	0	112.1	Y88 D108 P111 V114 K129 A130 A135 N136 G137 A138	Y88-F133 HydrophobicContact CD1-CD2 4.01Å; Y88-F133 HydrophobicContact CD1-CE2 4.25Å; Y88-F133 HydrophobicContact CD2-CD2 4.27Å; Y88-F133 AromaticContact CD2-CE2 3.76Å; Y88-F133 HydrophobicContact CD2-CE2 3.76Å; Y88-F133 HydrophobicContact CE2-CE2 4.24Å; Y88-F133 AromaticContact CG-CD2 3.78Å; Y88-F133 HydrophobicContact CG-CD2 3.78Å; Y88-F133 AromaticContact CG-CE2 3.76Å; Y88-F133 HydrophobicContact CG-CE2 3.76Å; D108-F133 HydrophobicContact CB-CE2 4.43Å; D108-F133 HydrophobicContact CB-CZ 4.36Å; D108-F133 WeakPolarHBondContact O-CZ 3.24Å; P111-F133 HydrophobicContact CG-CB 3.94Å; P111-F133 HydrophobicContact CG-CD1 3.81Å; P111-F133 HydrophobicContact CG-CD2 3.66Å; P111-F133 HydrophobicContact CG-CE1 4.26Å; P111-F133 HydrophobicContact CG-CE2 4.11Å; P111-F133 HydrophobicContact CG-CG 3.52Å; P111-F133 HydrophobicContact CG-CZ 4.41Å; V114-F133 HydrophobicContact CG2-CB 3.6Å; V114-F133 HydrophobicContact CG2-CD2 4.38Å; V114-F133 HydrophobicContact CG2-CG 4.49Å; K129-F133 HydrophobicContact CB-CD2 4.41Å; K129-F133 HydrophobicContact CB-CE2 3.92Å; K129-F133 WeakPolarHBondContact O-CD2 3.47Å; K129-F133 WeakPolarHBondContact O-CG 3.12Å; K129-F133 PolarHBondContact O-N 3.34Å; A130-F133 PolarHBondContact O-N 3.34Å; F133-A135 PolarHBondContact O-N 3.44Å; F133-N136 CarbonylContact O-C 3.56Å; F133-N136 PolarHBondContact O-N 2.61Å; F133-G137 PolarHBondContact O-N 2.76Å; F133-G137 VanDerWaalsContact O-N 3.14Å; F133-A138 HydrophobicContact CB-CB 3.9Å; F133-A138 VanDerWaalsContact O-CB 3.27Å; F133-A138 WeakPolarHBondContact O-CB 3.47Å; F133-A138 PolarHBondContact O-N 2.79Å
134	V	98.9	Very high	98.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-43.3	176.8	174.8	0	0	0	0	111.4	V114 A130 A131 Y132 N136 G137 F140 I163 S167 R169	V114-V134 HydrophobicContact CB-CG2 3.64Å; V114-V134 HydrophobicContact CG1-CG2 4Å; V114-V134 HydrophobicContact CG2-CG2 3.73Å; A130-V134 VanDerWaalsContact O-CG2 3.31Å; A130-V134 WeakPolarHBondContact O-CG2 3.35Å; A130-V134 PolarHBondContact O-N 3.28Å; A131-V134 PolarHBondContact O-N 3.21Å; Y132-V134 PolarHBondContact O-N 2.93Å; V134-N136 PolarHBondContact O-N 2.95Å; V134-G137 PolarHBondContact O-N 2.82Å; V134-G137 VanDerWaalsContact O-N 3.16Å; V134-F140 HydrophobicContact CG1-CB 3.88Å; V134-F140 HydrophobicContact CG1-CD1 4.13Å; V134-F140 HydrophobicContact CG1-CG 4.23Å; V134-F140 HydrophobicContact CG2-CB 3.73Å; V134-F140 HydrophobicContact CG2-CD1 4.28Å; V134-F140 HydrophobicContact CG2-CD2 4.15Å; V134-F140 HydrophobicContact CG2-CG 3.81Å; V134-I163 HydrophobicContact CG2-CG2 4.33Å; V134-S167 WeakPolarHBondContact CG1-OG 3.4Å; V134-R169 HydrophobicContact CG1-CB 3.69Å; V134-R169 HydrophobicContact CG1-CG 4.15Å
135	A	98.6	Very high	98.5	Very high	53 Å²	53	38.7 Å²	38.7	44%	0.438	20%	0.202	S	C	.	.	H	α-helix	trans	-60.9	-33.7	176.1	0	0	0	0	0	112	A131 Y132 F133	A131-A135 VanDerWaalsContact O-CB 3.28Å; A131-A135 WeakPolarHBondContact O-CB 3.27Å; A131-A135 PolarHBondContact O-N 2.98Å; Y132-A135 PolarHBondContact O-N 3.27Å; F133-A135 PolarHBondContact O-N 3.44Å
136	N	98.3	Very high	98.4	Very high	110 Å²	110	37.8 Å²	37.8	59%	0.588	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	12.7	178.6	-72.1	-77.2	0	0	0	114.4	Y132 F133 V134	Y132-N136 VanDerWaalsContact CE2-ND2 3.32Å; Y132-N136 WeakPolarHBondContact CE2-ND2 3.42Å; Y132-N136 WeakPolarHBondContact O-CB 3.48Å; Y132-N136 PolarHBondContact O-N 2.88Å; Y132-N136 PolarHBondContact O-ND2 3.39Å; F133-N136 CarbonylContact O-C 3.56Å; F133-N136 PolarHBondContact O-N 2.61Å; V134-N136 PolarHBondContact O-N 2.95Å
137	G	98	Very high	98.3	Very high	44 Å²	44	39.5 Å²	39.5	45%	0.454	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.8	-3.3	166.8	0	0	0	0	0	116.1	F133 V134 R139	F133-G137 PolarHBondContact O-N 2.76Å; F133-G137 VanDerWaalsContact O-N 3.14Å; V134-G137 PolarHBondContact O-N 2.82Å; V134-G137 VanDerWaalsContact O-N 3.16Å; G137-R139 PolarHBondContact O-N 3.32Å
138	A	98.7	Very high	98.1	Very high	7 Å²	7	42 Å²	42	6%	0.058	22%	0.222	C	C	.	.			trans	-61.4	137.5	170.5	0	0	0	0	0	110.1	P111 D112 V114 F133 F140	P111-A138 WeakPolarHBondContact O-CB 3.17Å; D112-A138 WeakPolarHBondContact O-CA 3.35Å; V114-A138 HydrophobicContact CG2-CB 3.99Å; F133-A138 HydrophobicContact CB-CB 3.9Å; F133-A138 VanDerWaalsContact O-CB 3.27Å; F133-A138 WeakPolarHBondContact O-CB 3.47Å; F133-A138 PolarHBondContact O-N 2.79Å; A138-F140 PolarHBondContact O-N 2.76Å
139	R	98.7	Very high	97.6	Very high	97 Å²	97	39.7 Å²	39.7	37%	0.366	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125	-177.6	-65.7	168.8	61.5	-176.3	1.1	109.7	D112 F113 V114 G137	D112-R139 PolarHBondContact O-N 3.27Å; F113-R139 WeakPolarHBondContact CA-O 3.28Å; F113-R139 HydrophobicContact CD1-CB 3.65Å; F113-R139 HydrophobicContact CE1-CB 3.92Å; F113-R139 HydrophobicContact CE1-CG 4.42Å; V114-R139 PolarHBondContact N-O 2.93Å; G137-R139 PolarHBondContact O-N 3.32Å
140	F	98.8	Very high	96.7	Very high	14 Å²	14	43.6 Å²	43.6	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	114.2	-174.5	-170.4	-167.4	0	0	0	111.2	V114 V116 V134 A138 C160 I163 E164 R169 P171 F172	V114-F140 HydrophobicContact CG1-CD2 4.22Å; V114-F140 HydrophobicContact CG1-CE2 4.5Å; V116-F140 HydrophobicContact CB-CE2 4.48Å; V116-F140 HydrophobicContact CG2-CE2 3.66Å; V116-F140 HydrophobicContact CG2-CZ 4.46Å; V134-F140 HydrophobicContact CG1-CB 3.88Å; V134-F140 HydrophobicContact CG1-CD1 4.13Å; V134-F140 HydrophobicContact CG1-CG 4.23Å; V134-F140 HydrophobicContact CG2-CB 3.73Å; V134-F140 HydrophobicContact CG2-CD1 4.28Å; V134-F140 HydrophobicContact CG2-CD2 4.15Å; V134-F140 HydrophobicContact CG2-CG 3.81Å; A138-F140 PolarHBondContact O-N 2.76Å; F140-C160 HydrophobicContact CZ-CB 3.88Å; F140-I163 HydrophobicContact CD1-CG2 4.42Å; F140-I163 HydrophobicContact CE1-CB 4.28Å; F140-I163 HydrophobicContact CE1-CG2 3.76Å; F140-I163 HydrophobicContact CE2-CG2 4.02Å; F140-I163 HydrophobicContact CZ-CB 3.89Å; F140-I163 HydrophobicContact CZ-CG2 3.54Å; F140-E164 HydrophobicContact CE1-CB 4.41Å; F140-R169 WeakPolarHBondContact CD1-O 3.31Å; F140-P171 HydrophobicContact CD1-CB 3.76Å; F140-P171 HydrophobicContact CD1-CG 4.31Å; F140-P171 HydrophobicContact CD2-CB 3.78Å; F140-P171 HydrophobicContact CE1-CB 3.8Å; F140-P171 VanDerWaalsContact CE1-CD 3.49Å; F140-P171 HydrophobicContact CE1-CG 3.95Å; F140-P171 HydrophobicContact CE2-CB 3.78Å; F140-P171 HydrophobicContact CE2-CG 4.44Å; F140-P171 HydrophobicContact CG-CB 3.75Å; F140-P171 HydrophobicContact CZ-CB 3.8Å; F140-P171 HydrophobicContact CZ-CG 4Å; F140-P171 CarbonylContact O-C 3.56Å; F140-P171 VanDerWaalsContact O-CA 3.29Å; F140-P171 WeakPolarHBondContact O-CA 2.99Å; F140-F172 PolarHBondContact O-N 3.17Å
141	I	98.8	Very high	96.2	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.6	-178.7	-50.6	-59.4	0	0	0	109.2	T75 F78 L79 F113 V114 I115 V116 F172 V174	T75-I141 HydrophobicContact CG2-CG2 4.07Å; F78-I141 HydrophobicContact CD1-CG2 4.48Å; F78-I141 HydrophobicContact CE1-CD1 3.64Å; F78-I141 HydrophobicContact CE1-CG1 4.33Å; F78-I141 HydrophobicContact CZ-CD1 4.31Å; L79-I141 HydrophobicContact CD2-CG1 4.35Å; F113-I141 HydrophobicContact CD1-CG1 4.05Å; V114-I141 PolarHBondContact O-N 2.92Å; I115-I141 CarbonylContact C-O 3.38Å; I115-I141 VanDerWaalsContact CA-O 3.32Å; I115-I141 WeakPolarHBondContact CA-O 3.42Å; I115-I141 HydrophobicContact CG1-CB 4.38Å; V116-I141 PolarHBondContact N-O 3.06Å; I141-F172 HydrophobicContact CD1-CB 3.9Å; I141-V174 HydrophobicContact CG2-CG2 3.84Å
142	A	98.7	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.1	175.5	0	0	0	0	0	110.2	V116 N144 C160 P171 F172 Y173 V174	V116-A142 WeakPolarHBondContact O-CA 3.48Å; A142-N144 VanDerWaalsContact C-N 3.32Å; A142-N144 PolarHBondContact O-N 3.12Å; A142-C160 VanDerWaalsContact CB-SG 3.58Å; A142-P171 HydrophobicContact CB-CB 3.69Å; A142-P171 HydrophobicContact CB-CG 4.03Å; A142-F172 PolarHBondContact N-O 3.44Å; A142-Y173 HydrophobicContact CB-CD1 3.44Å; A142-Y173 VanDerWaalsContact CB-CD1 3.44Å; A142-Y173 HydrophobicContact CB-CE1 3.54Å; A142-Y173 HydrophobicContact CB-CG 4.5Å; A142-Y173 WeakPolarHBondContact O-CA 3.24Å; A142-V174 PolarHBondContact O-N 3.32Å
143	T	98.5	Very high	95.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-63	-38.6	-176.7	57.1	0	0	0	0	112.1	P45 S71 T75 L95 V116 C156 G175	P45-T143 HydrophobicContact CB-CG2 3.99Å; S71-T143 WeakPolarHBondContact CB-O 3.18Å; T75-T143 HydrophobicContact CG2-CG2 4.43Å; L95-T143 HydrophobicContact CD1-CG2 3.84Å; L95-T143 HydrophobicContact CD2-CG2 4Å; V116-T143 PolarHBondContact O-N 2.95Å; V116-T143 PolarHBondContact O-OG1 3.49Å; T143-C156 PolarHBondContact OG1-SG 2.89Å; T143-C156 VanDerWaalsContact OG1-SG 3.4Å; T143-G175 WeakPolarHBondContact O-CA 3.48Å; T143-G175 PolarHBondContact O-N 3.23Å
144	N	98.2	Very high	95.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.324	C	S	.	.			trans	-152.9	162.7	175.5	69.7	64.3	0	0	0	111	N43 A142 D146 C156 Y173	N43-N144 HydrophobicContact CB-CB 3.82Å; N43-N144 PolarHBondContact O-ND2 3.29Å; A142-N144 VanDerWaalsContact C-N 3.32Å; A142-N144 PolarHBondContact O-N 3.12Å; N144-D146 VanDerWaalsContact OD1-CB 3.24Å; N144-D146 WeakPolarHBondContact OD1-CB 3.2Å; N144-D146 PolarHBondContact OD1-N 3.26Å; N144-D146 PolarHBondContact OD1-OD2 2.8Å; N144-C156 PolarHBondContact O-SG 2.63Å; N144-C156 WeakPolarHBondContact OD1-CB 3.33Å; N144-Y173 WeakPolarHBondContact O-CD1 3.4Å; N144-Y173 WeakPolarHBondContact O-CE1 3.37Å
145	P	97.5	Very high	95.2	Very high	35 Å²	35	58.1 Å²	58.1	23%	0.227	32%	0.324	C	S	.	.			trans	-91.1	7.5	178.3	34.7	-30.6	0	0	0	114.4	T147 Y173 K176	P145-T147 PolarHBondContact O-N 2.77Å; P145-Y173 HydrophobicContact CB-CD1 3.7Å; P145-Y173 HydrophobicContact CB-CD2 4.04Å; P145-Y173 HydrophobicContact CB-CE1 3.92Å; P145-Y173 HydrophobicContact CB-CE2 4.23Å; P145-Y173 HydrophobicContact CB-CG 3.77Å; P145-Y173 HydrophobicContact CG-CG 4.46Å; P145-K176 WeakPolarHBondContact CD-O 3.49Å; P145-K176 VanDerWaalsContact CG-O 3.28Å; P145-K176 WeakPolarHBondContact CG-O 3.47Å
146	D	96.6	Very high	95.1	Very high	48 Å²	48	55.6 Å²	55.6	26%	0.257	30%	0.303	S	S	.	.			trans	-64.4	130.6	-171.3	-57.2	-25.9	0	0	0	110.2	N43 N144 A155 G157	N43-D146 VanDerWaalsContact CB-OD2 3.24Å; N43-D146 WeakPolarHBondContact CB-OD2 3.29Å; N43-D146 PolarHBondContact ND2-OD1 3.04Å; N43-D146 PolarHBondContact ND2-OD2 2.86Å; N144-D146 VanDerWaalsContact OD1-CB 3.24Å; N144-D146 WeakPolarHBondContact OD1-CB 3.2Å; N144-D146 PolarHBondContact OD1-N 3.26Å; N144-D146 PolarHBondContact OD1-OD2 2.8Å; D146-A155 HydrophobicContact CB-CB 3.95Å; D146-A155 CarbonylContact O-C 3.54Å; D146-A155 VanDerWaalsContact O-CB 3.27Å; D146-A155 WeakPolarHBondContact O-CB 3.34Å; D146-G157 WeakPolarHBondContact O-CA 3.09Å; D146-G157 PolarHBondContact O-N 3.33Å
147	T	95.1	Very high	95.1	Very high	84 Å²	84	50.7 Å²	50.7	52%	0.515	28%	0.279	S	S	.	.			trans	-78.7	-41	-178.9	49.5	0	0	0	0	111.3	P145 A155 A158	P145-T147 PolarHBondContact O-N 2.77Å; T147-A155 PolarHBondContact O-N 3.36Å; T147-A155 VanDerWaalsContact O-N 3.12Å; T147-A158 WeakPolarHBondContact O-CB 3.42Å
148	H	93.9	Very high	95	Very high	93 Å²	93	50.6 Å²	50.6	43%	0.431	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-156	153.4	179.6	53.8	68.1	0	0	0	112.1	Y153	H148-Y153 CarbonylContact C-O 3.58Å; H148-Y153 WeakPolarHBondContact CA-O 3.5Å; H148-Y153 VanDerWaalsContact CB-O 3.25Å; H148-Y153 WeakPolarHBondContact CB-O 3.38Å
149	G	87.3	Confident	95	Very high	35 Å²	35	50.9 Å²	50.9	36%	0.361	27%	0.274	S	S	.	.			trans	-85.1	-169.6	166.4	0	0	0	0	0	112.9	F152 Y153	G149-F152 PolarHBondContact O-N 3.44Å; G149-Y153 PolarHBondContact N-O 3.25Å
150	R	81.4	Confident	95	Very high	138 Å²	138	46.2 Å²	46.2	52%	0.521	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-55.6	141.6	172.7	-76	-175.6	173.2	-150.5	-4.6	110.8	D17 F152 Y153	D17-R150 WeakPolarHBondContact OD1-CD 3.19Å; D17-R150 IonicContact OD1-NH1 2.75Å; D17-R150 IonicContact OD2-CZ 2.63Å; D17-R150 IonicContact OD2-NH1 2.61Å; D17-R150 PolarHBondContact OD2-NH1 3.13Å; R150-F152 PolarHBondContact O-N 3.39Å; R150-Y153 WeakPolarHBondContact O-CD2 3.35Å; R150-Y153 VanDerWaalsContact O-CE2 3.26Å; R150-Y153 WeakPolarHBondContact O-CE2 3.5Å
151	G	88.3	Confident	95	Very high	65 Å²	65	48.3 Å²	48.3	67%	0.67	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	69.1	18.6	-177.7	0	0	0	0	0	114.7	Y153	G151-Y153 VanDerWaalsContact C-N 3.28Å; G151-Y153 PolarHBondContact O-N 3.43Å
152	F	90.8	Very high	94.9	Very high	164 Å²	164	49.1 Å²	49.1	72%	0.719	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	63.2	25.3	179.5	-60.6	-88.5	0	0	0	114.8	G149 R150	G149-F152 PolarHBondContact O-N 3.44Å; R150-F152 PolarHBondContact O-N 3.39Å
153	Y	91.3	Very high	94.9	Very high	146 Å²	146	49.1 Å²	49.1	57%	0.573	29%	0.285	S	S	*	.			trans	-61.4	129.9	171.2	-62.8	-60.2	0	0	0	109.9	H148 G149 R150 G151 A155	H148-Y153 CarbonylContact C-O 3.58Å; H148-Y153 WeakPolarHBondContact CA-O 3.5Å; H148-Y153 VanDerWaalsContact CB-O 3.25Å; H148-Y153 WeakPolarHBondContact CB-O 3.38Å; G149-Y153 PolarHBondContact N-O 3.25Å; R150-Y153 WeakPolarHBondContact O-CD2 3.35Å; R150-Y153 VanDerWaalsContact O-CE2 3.26Å; R150-Y153 WeakPolarHBondContact O-CE2 3.5Å; G151-Y153 VanDerWaalsContact C-N 3.28Å; G151-Y153 PolarHBondContact O-N 3.43Å; Y153-A155 PolarHBondContact O-N 3.08Å
154	P	95	Very high	94.9	Very high	82 Å²	82	51.8 Å²	51.8	53%	0.532	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-57.8	127.7	178	-24.4	33.8	0	0	0	111.5	A158 L159	P154-A158 HydrophobicContact CB-CB 4.44Å; P154-L159 HydrophobicContact CB-CD2 4.14Å
155	A	95.7	Very high	95	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.008	34%	0.336	C	S	.	.			trans	-105.7	176.8	174.8	0	0	0	0	0	111	D146 T147 Y153 G157 A158 L159	D146-A155 HydrophobicContact CB-CB 3.95Å; D146-A155 CarbonylContact O-C 3.54Å; D146-A155 VanDerWaalsContact O-CB 3.27Å; D146-A155 WeakPolarHBondContact O-CB 3.34Å; T147-A155 PolarHBondContact O-N 3.36Å; T147-A155 VanDerWaalsContact O-N 3.12Å; Y153-A155 PolarHBondContact O-N 3.08Å; A155-G157 VanDerWaalsContact C-N 3.3Å; A155-G157 PolarHBondContact O-N 2.68Å; A155-A158 PolarHBondContact O-N 2.87Å; A155-L159 PolarHBondContact O-N 3.1Å; A155-L159 VanDerWaalsContact O-N 3.15Å
156	C	97.5	Very high	95	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-49.4	-44.7	-172.2	173	0	0	0	0	113.9	V116 T143 N144 A158 L159 C160	V116-C156 PolarHBondContact O-SG 3.28Å; T143-C156 PolarHBondContact OG1-SG 2.89Å; T143-C156 VanDerWaalsContact OG1-SG 3.4Å; N144-C156 PolarHBondContact O-SG 2.63Å; N144-C156 WeakPolarHBondContact OD1-CB 3.33Å; C156-A158 PolarHBondContact O-N 3.17Å; C156-L159 PolarHBondContact O-N 2.99Å; C156-C160 PolarHBondContact O-N 3.47Å; C156-C160 PolarHBondContact O-SG 2.89Å
157	G	97.6	Very high	95.1	Very high	7 Å²	7	62.1 Å²	62.1	7%	0.072	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-38.8	178.1	0	0	0	0	0	113.3	D146 A155 C160 A161	D146-G157 WeakPolarHBondContact O-CA 3.09Å; D146-G157 PolarHBondContact O-N 3.33Å; A155-G157 VanDerWaalsContact C-N 3.3Å; A155-G157 PolarHBondContact O-N 2.68Å; G157-C160 WeakPolarHBondContact O-CB 3.48Å; G157-C160 PolarHBondContact O-N 3.31Å; G157-A161 PolarHBondContact O-N 2.86Å
158	A	97.6	Very high	95.3	Very high	42 Å²	42	61.5 Å²	61.5	35%	0.347	35%	0.353	S	S	.	.	H	α-helix	trans	-67.5	-37.6	174	0	0	0	0	0	112.4	T147 P154 A155 C156 C160 A161	T147-A158 WeakPolarHBondContact O-CB 3.42Å; P154-A158 HydrophobicContact CB-CB 4.44Å; A155-A158 PolarHBondContact O-N 2.87Å; C156-A158 PolarHBondContact O-N 3.17Å; A158-C160 PolarHBondContact O-N 3.25Å; A158-A161 WeakPolarHBondContact O-CB 3.48Å; A158-A161 PolarHBondContact O-N 3.44Å
159	L	98	Very high	95.5	Very high	12 Å²	12	63.6 Å²	63.6	6%	0.063	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-29.8	175.8	-55.7	-172.3	0	0	0	111.8	V116 T119 Y122 P154 A155 C156 A161	V116-L159 HydrophobicContact CG1-CB 3.99Å; T119-L159 HydrophobicContact CG2-CD1 4.1Å; Y122-L159 HydrophobicContact CD1-CD2 3.91Å; Y122-L159 HydrophobicContact CD2-CB 4.32Å; Y122-L159 HydrophobicContact CD2-CD1 4.33Å; Y122-L159 HydrophobicContact CD2-CD2 4.17Å; Y122-L159 HydrophobicContact CE1-CD2 4.36Å; Y122-L159 HydrophobicContact CE2-CB 4.24Å; Y122-L159 HydrophobicContact CG-CD1 4.46Å; Y122-L159 HydrophobicContact CG-CD2 3.79Å; Y122-L159 PolarHBondContact OH-O 3.32Å; P154-L159 HydrophobicContact CB-CD2 4.14Å; A155-L159 PolarHBondContact O-N 3.1Å; A155-L159 VanDerWaalsContact O-N 3.15Å; C156-L159 PolarHBondContact O-N 2.99Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 2.95Å
160	C	98.6	Very high	96	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-70.2	-26.1	175.9	-66.6	0	0	0	0	113.7	F140 A142 C156 G157 A158 G162 I163 E164 P171	F140-C160 HydrophobicContact CZ-CB 3.88Å; A142-C160 VanDerWaalsContact CB-SG 3.58Å; C156-C160 PolarHBondContact O-N 3.47Å; C156-C160 PolarHBondContact O-SG 2.89Å; G157-C160 WeakPolarHBondContact O-CB 3.48Å; G157-C160 PolarHBondContact O-N 3.31Å; A158-C160 PolarHBondContact O-N 3.25Å; C160-G162 PolarHBondContact O-N 3.34Å; C160-I163 WeakPolarHBondContact O-CB 3.16Å; C160-I163 PolarHBondContact O-N 3.2Å; C160-I163 VanDerWaalsContact O-N 3.14Å; C160-E164 WeakPolarHBondContact O-CB 3.19Å; C160-E164 PolarHBondContact O-N 3.09Å; C160-P171 HydrophobicContact CB-CG 4.2Å
161	A	98.1	Very high	96.8	Very high	57 Å²	57	63.4 Å²	63.4	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-42.6	-168.3	0	0	0	0	0	113.6	G157 A158 L159 K165	G157-A161 PolarHBondContact O-N 2.86Å; A158-A161 WeakPolarHBondContact O-CB 3.48Å; A158-A161 PolarHBondContact O-N 3.44Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 2.95Å; A161-K165 WeakPolarHBondContact O-CB 3.42Å; A161-K165 PolarHBondContact O-N 3.42Å
162	G	98	Very high	97.3	Very high	22 Å²	22	64.4 Å²	64.4	23%	0.227	34%	0.337	C	S	.	.	H	α-helix	trans	-66	-40.9	176.5	0	0	0	0	0	112.2	C160 K165 I166	C160-G162 PolarHBondContact O-N 3.34Å; G162-K165 PolarHBondContact O-N 3.45Å; G162-I166 WeakPolarHBondContact O-CD1 3.41Å; G162-I166 VanDerWaalsContact O-CG1 3.27Å; G162-I166 WeakPolarHBondContact O-CG1 3.45Å; G162-I166 PolarHBondContact O-N 2.97Å; G162-I166 VanDerWaalsContact O-N 3.08Å
163	I	98.7	Very high	97.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-45.6	178.1	-61.2	165.2	0	0	0	110.4	V116 M127 A130 A131 V134 F140 C160 K165 I166 S167	V116-I163 HydrophobicContact CG2-CD1 3.74Å; M127-I163 HydrophobicContact CG-CG1 4.24Å; A130-I163 HydrophobicContact CB-CD1 3.59Å; A130-I163 HydrophobicContact CB-CG1 3.87Å; A130-I163 HydrophobicContact CB-CG2 4.17Å; A131-I163 HydrophobicContact CB-CG2 4.35Å; V134-I163 HydrophobicContact CG2-CG2 4.33Å; F140-I163 HydrophobicContact CD1-CG2 4.42Å; F140-I163 HydrophobicContact CE1-CB 4.28Å; F140-I163 HydrophobicContact CE1-CG2 3.76Å; F140-I163 HydrophobicContact CE2-CG2 4.02Å; F140-I163 HydrophobicContact CZ-CB 3.89Å; F140-I163 HydrophobicContact CZ-CG2 3.54Å; C160-I163 WeakPolarHBondContact O-CB 3.16Å; C160-I163 PolarHBondContact O-N 3.2Å; C160-I163 VanDerWaalsContact O-N 3.14Å; I163-K165 PolarHBondContact O-N 2.78Å; I163-I166 PolarHBondContact O-N 2.67Å; I163-S167 VanDerWaalsContact O-CB 3.26Å; I163-S167 WeakPolarHBondContact O-CB 3.12Å; I163-S167 PolarHBondContact O-N 2.71Å; I163-S167 PolarHBondContact O-OG 3.39Å
164	E	98.6	Very high	98	Very high	57 Å²	57	52.8 Å²	52.8	27%	0.266	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-47.6	175.5	175.5	176.5	161.4	0	0	111.1	F140 C160 I166 G168 R169 K170	F140-E164 HydrophobicContact CE1-CB 4.41Å; C160-E164 WeakPolarHBondContact O-CB 3.19Å; C160-E164 PolarHBondContact O-N 3.09Å; E164-I166 PolarHBondContact O-N 3.14Å; E164-G168 WeakPolarHBondContact O-CA 3.47Å; E164-G168 PolarHBondContact O-N 3.27Å; E164-R169 WeakPolarHBondContact CA-O 3.45Å; E164-K170 HydrophobicContact CG-CG 4.21Å; E164-K170 WeakPolarHBondContact OE1-CE 3.49Å; E164-K170 WeakPolarHBondContact OE1-CG 3.47Å
165	K	98.7	Very high	98.2	Very high	182 Å²	182	48.9 Å²	48.9	79%	0.791	26%	0.262	S	S	*	.	H	α-helix	trans	-64.1	-39.8	-176.6	-173.6	61.5	176	-177.7	0	112.8	A161 G162 I163	A161-K165 WeakPolarHBondContact O-CB 3.42Å; A161-K165 PolarHBondContact O-N 3.42Å; G162-K165 PolarHBondContact O-N 3.45Å; I163-K165 PolarHBondContact O-N 2.78Å
166	I	98.5	Very high	98.3	Very high	103 Å²	103	48.9 Å²	48.9	53%	0.528	26%	0.262	S	S	.	.	H	α-helix	trans	-76.1	-43.9	-179.5	-63.8	164.1	0	0	0	110.8	M127 A131 G162 I163 E164	M127-I166 HydrophobicContact CE-CD1 4.41Å; M127-I166 HydrophobicContact CG-CD1 4.22Å; M127-I166 HydrophobicContact SD-CD1 4.38Å; A131-I166 HydrophobicContact CB-CB 3.64Å; A131-I166 HydrophobicContact CB-CD1 4.19Å; A131-I166 HydrophobicContact CB-CG2 3.51Å; G162-I166 WeakPolarHBondContact O-CD1 3.41Å; G162-I166 VanDerWaalsContact O-CG1 3.27Å; G162-I166 WeakPolarHBondContact O-CG1 3.45Å; G162-I166 PolarHBondContact O-N 2.97Å; G162-I166 VanDerWaalsContact O-N 3.08Å; I163-I166 PolarHBondContact O-N 2.67Å; E164-I166 PolarHBondContact O-N 3.14Å
167	S	98.5	Very high	98.3	Very high	15 Å²	15	50.7 Å²	50.7	11%	0.105	27%	0.274	C	S	.	.	H	α-helix	trans	-81.8	-19.3	-175.4	67.3	0	0	0	0	114.5	V134 I163 R169	V134-S167 WeakPolarHBondContact CG1-OG 3.4Å; I163-S167 VanDerWaalsContact O-CB 3.26Å; I163-S167 WeakPolarHBondContact O-CB 3.12Å; I163-S167 PolarHBondContact O-N 2.71Å; I163-S167 PolarHBondContact O-OG 3.39Å; S167-R169 PolarHBondContact O-N 3.5Å; S167-R169 PolarHBondContact OG-N 3.32Å
168	G	98.3	Very high	98.4	Very high	70 Å²	70	51.4 Å²	51.4	72%	0.722	28%	0.278	S	S	*	.	S	Bend	trans	71.3	13	-173.8	0	0	0	0	0	114	E164	E164-G168 WeakPolarHBondContact O-CA 3.47Å; E164-G168 PolarHBondContact O-N 3.27Å
169	R	98.5	Very high	98.4	Very high	137 Å²	137	51 Å²	51	52%	0.517	27%	0.271	S	S	.	.			trans	-124.5	138.3	-177.7	-62	-170.5	178.9	-135.3	1.3	111.4	V134 F140 E164 S167	V134-R169 HydrophobicContact CG1-CB 3.69Å; V134-R169 HydrophobicContact CG1-CG 4.15Å; F140-R169 WeakPolarHBondContact CD1-O 3.31Å; E164-R169 WeakPolarHBondContact CA-O 3.45Å; S167-R169 PolarHBondContact O-N 3.5Å; S167-R169 PolarHBondContact OG-N 3.32Å
170	K	98.4	Very high	98.4	Very high	160 Å²	160	52.7 Å²	52.7	70%	0.696	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-84.5	145	174.3	-67	-173.7	174.2	-173.7	0	110.8	E164	E164-K170 HydrophobicContact CG-CG 4.21Å; E164-K170 WeakPolarHBondContact OE1-CE 3.49Å; E164-K170 WeakPolarHBondContact OE1-CG 3.47Å
171	P	98.5	Very high	98.4	Very high	10 Å²	10	52.7 Å²	52.7	7%	0.065	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-72.7	154.4	171.8	31.7	-34.2	0	0	0	111	F140 A142 C160 Y173	F140-P171 HydrophobicContact CD1-CB 3.76Å; F140-P171 HydrophobicContact CD1-CG 4.31Å; F140-P171 HydrophobicContact CD2-CB 3.78Å; F140-P171 HydrophobicContact CE1-CB 3.8Å; F140-P171 VanDerWaalsContact CE1-CD 3.49Å; F140-P171 HydrophobicContact CE1-CG 3.95Å; F140-P171 HydrophobicContact CE2-CB 3.78Å; F140-P171 HydrophobicContact CE2-CG 4.44Å; F140-P171 HydrophobicContact CG-CB 3.75Å; F140-P171 HydrophobicContact CZ-CB 3.8Å; F140-P171 HydrophobicContact CZ-CG 4Å; F140-P171 CarbonylContact O-C 3.56Å; F140-P171 VanDerWaalsContact O-CA 3.29Å; F140-P171 WeakPolarHBondContact O-CA 2.99Å; A142-P171 HydrophobicContact CB-CB 3.69Å; A142-P171 HydrophobicContact CB-CG 4.03Å; C160-P171 HydrophobicContact CB-CG 4.2Å; P171-Y173 HydrophobicContact CB-CE1 4.48Å; P171-Y173 HydrophobicContact CG-CD1 4.28Å; P171-Y173 HydrophobicContact CG-CD2 4.44Å; P171-Y173 HydrophobicContact CG-CE1 3.61Å; P171-Y173 HydrophobicContact CG-CE2 3.8Å; P171-Y173 WeakPolarHBondContact CG-OH 3.36Å
172	F	98.5	Very high	98.4	Very high	86 Å²	86	50 Å²	50	38%	0.377	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	116.7	158.9	-178.8	-92.7	0	0	0	109	F78 F140 I141 A142 V174	F78-F172 AromaticContact CD2-CE1 3.96Å; F78-F172 HydrophobicContact CD2-CE1 3.96Å; F78-F172 HydrophobicContact CE1-CD1 4.18Å; F78-F172 HydrophobicContact CE1-CE1 4.46Å; F78-F172 HydrophobicContact CE2-CD1 4.03Å; F78-F172 AromaticContact CE2-CE1 3.56Å; F78-F172 HydrophobicContact CE2-CE1 3.56Å; F78-F172 HydrophobicContact CE2-CZ 4.05Å; F78-F172 AromaticContact CZ-CD1 3.8Å; F78-F172 HydrophobicContact CZ-CD1 3.8Å; F78-F172 AromaticContact CZ-CE1 3.84Å; F78-F172 HydrophobicContact CZ-CE1 3.84Å; F78-F172 HydrophobicContact CZ-CG 4.45Å; F140-F172 PolarHBondContact O-N 3.17Å; I141-F172 HydrophobicContact CD1-CB 3.9Å; A142-F172 PolarHBondContact N-O 3.44Å; F172-V174 HydrophobicContact CD1-CG2 4.25Å; F172-V174 HydrophobicContact CE1-CG2 4.33Å
173	Y	98.6	Very high	98.4	Very high	65 Å²	65	55.6 Å²	55.6	26%	0.255	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.9	177.2	-64.1	-70.8	0	0	0	111	A142 N144 P145 P171 S178	A142-Y173 HydrophobicContact CB-CD1 3.44Å; A142-Y173 VanDerWaalsContact CB-CD1 3.44Å; A142-Y173 HydrophobicContact CB-CE1 3.54Å; A142-Y173 HydrophobicContact CB-CG 4.5Å; A142-Y173 WeakPolarHBondContact O-CA 3.24Å; N144-Y173 WeakPolarHBondContact O-CD1 3.4Å; N144-Y173 WeakPolarHBondContact O-CE1 3.37Å; P145-Y173 HydrophobicContact CB-CD1 3.7Å; P145-Y173 HydrophobicContact CB-CD2 4.04Å; P145-Y173 HydrophobicContact CB-CE1 3.92Å; P145-Y173 HydrophobicContact CB-CE2 4.23Å; P145-Y173 HydrophobicContact CB-CG 3.77Å; P145-Y173 HydrophobicContact CG-CG 4.46Å; P171-Y173 HydrophobicContact CB-CE1 4.48Å; P171-Y173 HydrophobicContact CG-CD1 4.28Å; P171-Y173 HydrophobicContact CG-CD2 4.44Å; P171-Y173 HydrophobicContact CG-CE1 3.61Å; P171-Y173 HydrophobicContact CG-CE2 3.8Å; P171-Y173 WeakPolarHBondContact CG-OH 3.36Å; Y173-S178 PolarHBondContact O-OG 2.94Å
174	V	98.5	Very high	98.4	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.			trans	-82.6	-46.8	-179.9	179.3	0	0	0	0	111.1	A74 T75 F78 I141 A142 F172 S178 W180 I181	A74-V174 HydrophobicContact CB-CG1 3.77Å; T75-V174 HydrophobicContact CG2-CG2 4.34Å; F78-V174 HydrophobicContact CB-CG2 4.47Å; F78-V174 HydrophobicContact CD1-CG2 4.46Å; F78-V174 HydrophobicContact CG-CG2 4.45Å; I141-V174 HydrophobicContact CG2-CG2 3.84Å; A142-V174 PolarHBondContact O-N 3.32Å; F172-V174 HydrophobicContact CD1-CG2 4.25Å; F172-V174 HydrophobicContact CE1-CG2 4.33Å; V174-S178 VanDerWaalsContact O-CB 3.27Å; V174-S178 WeakPolarHBondContact O-CB 3.25Å; V174-W180 HydrophobicContact CG1-CE3 3.62Å; V174-W180 HydrophobicContact CG1-CZ3 3.66Å; V174-I181 WeakPolarHBondContact O-CB 3.47Å
175	G	98.4	Very high	98.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-69.1	174.6	-176.6	0	0	0	0	0	115.1	N43 T143 S178	N43-G175 WeakPolarHBondContact OD1-CA 3.41Å; T143-G175 WeakPolarHBondContact O-CA 3.48Å; T143-G175 PolarHBondContact O-N 3.23Å; G175-S178 WeakPolarHBondContact O-CB 3.31Å; G175-S178 PolarHBondContact O-N 3.01Å
176	K	98.4	Very high	98.4	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.009	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	139.3	178.7	-62.1	176.8	-70.6	-173.5	0	110.1	D9 L41 N43 P145 S178 I181 I182 D206 A209	D9-K176 VanDerWaalsContact CG-NZ 3.28Å; D9-K176 IonicContact OD1-NZ 2.63Å; D9-K176 PolarHBondContact OD1-NZ 3.36Å; L41-K176 HydrophobicContact CD2-CD 3.87Å; L41-K176 HydrophobicContact CD2-CG 4.23Å; L41-K176 PolarHBondContact O-NZ 3.35Å; L41-K176 VanDerWaalsContact O-NZ 3.17Å; N43-K176 PolarHBondContact ND2-O 3.36Å; N43-K176 PolarHBondContact OD1-N 3.49Å; P145-K176 WeakPolarHBondContact CD-O 3.49Å; P145-K176 VanDerWaalsContact CG-O 3.28Å; P145-K176 WeakPolarHBondContact CG-O 3.47Å; K176-S178 VanDerWaalsContact C-N 3.35Å; K176-I181 HydrophobicContact CG-CG2 3.89Å; K176-I182 HydrophobicContact CG-CD1 4.47Å; K176-D206 WeakPolarHBondContact CD-OD1 3.48Å; K176-D206 WeakPolarHBondContact CE-OD1 3.47Å; K176-D206 IonicContact NZ-OD1 2.81Å; K176-D206 PolarHBondContact NZ-OD1 3.2Å; K176-A209 HydrophobicContact CB-CB 4.41Å; K176-A209 HydrophobicContact CG-CB 4.2Å
177	P	98.2	Very high	98.3	Very high	38 Å²	38	44.8 Å²	44.8	25%	0.247	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83	11.3	10.6	30.7	-32.7	0	0	0	115.9	P179 R204 L208	P177-P179 WeakPolarHBondContact O-CD 3.36Å; P177-R204 WeakPolarHBondContact CB-O 3.32Å; P177-L208 HydrophobicContact CB-CB 4.22Å; P177-L208 HydrophobicContact CB-CD2 3.83Å; P177-L208 HydrophobicContact CB-CG 4.07Å; P177-L208 HydrophobicContact CG-CD2 4.3Å
178	S	98.3	Very high	98.2	Very high	22 Å²	22	48.6 Å²	48.6	15%	0.154	24%	0.239	C	C	.	.			trans	-57.8	124.9	-179.2	-174	0	0	0	0	111.2	Y173 V174 G175 K176 W180 I181	Y173-S178 PolarHBondContact O-OG 2.94Å; V174-S178 VanDerWaalsContact O-CB 3.27Å; V174-S178 WeakPolarHBondContact O-CB 3.25Å; G175-S178 WeakPolarHBondContact O-CB 3.31Å; G175-S178 PolarHBondContact O-N 3.01Å; K176-S178 VanDerWaalsContact C-N 3.35Å; S178-W180 PolarHBondContact O-N 3.15Å; S178-W180 VanDerWaalsContact O-N 3.08Å; S178-W180 WeakPolarHBondContact OG-CB 3.47Å; S178-W180 PolarHBondContact OG-N 3.4Å; S178-I181 WeakPolarHBondContact O-CG2 3.45Å; S178-I181 PolarHBondContact O-N 3.47Å
179	P	97.9	Very high	98.1	Very high	32 Å²	32	46.4 Å²	46.4	21%	0.208	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-12.3	173.9	26.9	-34.5	0	0	0	111.8	P177 I182 R183 Q212 A213	P177-P179 WeakPolarHBondContact O-CD 3.36Å; P179-I182 PolarHBondContact O-N 3.29Å; P179-R183 WeakPolarHBondContact O-CG 3.28Å; P179-R183 PolarHBondContact O-N 2.87Å; P179-R183 VanDerWaalsContact O-N 3.08Å; P179-Q212 HydrophobicContact CB-CB 4.08Å; P179-Q212 HydrophobicContact CG-CB 4.35Å; P179-A213 HydrophobicContact CB-CB 4.17Å
180	W	97.9	Very high	98	Very high	48 Å²	48	48.5 Å²	48.5	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-46.5	178	-169.4	94.3	0	0	0	111.9	A74 D77 F78 V174 S178 I182 R183 A184	A74-W180 HydrophobicContact CB-CZ3 4.04Å; A74-W180 WeakPolarHBondContact O-CH2 3.39Å; A74-W180 WeakPolarHBondContact O-CZ3 3.45Å; D77-W180 HydrophobicContact CB-CH2 4.12Å; F78-W180 HydrophobicContact CB-CE3 4.4Å; F78-W180 HydrophobicContact CB-CH2 3.42Å; F78-W180 VanDerWaalsContact CB-CH2 3.42Å; F78-W180 HydrophobicContact CB-CZ2 3.53Å; F78-W180 HydrophobicContact CB-CZ3 3.86Å; F78-W180 HydrophobicContact CD2-CD2 4.19Å; F78-W180 AromaticContact CD2-CE2 3.65Å; F78-W180 AromaticContact CD2-CZ2 3.86Å; F78-W180 HydrophobicContact CD2-CZ2 3.86Å; F78-W180 AromaticContact CD2-NE1 3.72Å; F78-W180 HydrophobicContact CG-CH2 4.48Å; F78-W180 HydrophobicContact CG-CZ2 4.21Å; V174-W180 HydrophobicContact CG1-CE3 3.62Å; V174-W180 HydrophobicContact CG1-CZ3 3.66Å; S178-W180 PolarHBondContact O-N 3.15Å; S178-W180 VanDerWaalsContact O-N 3.08Å; S178-W180 WeakPolarHBondContact OG-CB 3.47Å; S178-W180 PolarHBondContact OG-N 3.4Å; W180-I182 VanDerWaalsContact C-N 3.29Å; W180-I182 PolarHBondContact O-N 3.05Å; W180-R183 PolarHBondContact O-N 3.02Å; W180-A184 HydrophobicContact CE3-CB 4.15Å; W180-A184 HydrophobicContact CH2-CB 3.71Å; W180-A184 HydrophobicContact CZ2-CB 4.36Å; W180-A184 HydrophobicContact CZ3-CB 3.62Å; W180-A184 WeakPolarHBondContact O-CB 3.36Å; W180-A184 PolarHBondContact O-N 2.89Å
181	I	98.6	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-34.5	-179.6	-169.8	163.5	0	0	0	112	L41 Y69 A74 V174 K176 S178 A184 A185	L41-I181 HydrophobicContact CD1-CD1 3.72Å; L41-I181 HydrophobicContact CD1-CG1 3.66Å; Y69-I181 HydrophobicContact CD1-CG1 4.47Å; Y69-I181 HydrophobicContact CE1-CG1 4.1Å; A74-I181 HydrophobicContact CB-CD1 3.57Å; A74-I181 HydrophobicContact CB-CG1 3.66Å; V174-I181 WeakPolarHBondContact O-CB 3.47Å; K176-I181 HydrophobicContact CG-CG2 3.89Å; S178-I181 WeakPolarHBondContact O-CG2 3.45Å; S178-I181 PolarHBondContact O-N 3.47Å; I181-A184 PolarHBondContact O-N 3.35Å; I181-A185 PolarHBondContact O-N 2.91Å
182	I	98.7	Very high	97.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-46.9	175.4	-54.1	-52.9	0	0	0	110.5	I7 L41 K176 P179 W180 A184 A185 L186 I198 A209 A213 L215	I7-I182 HydrophobicContact CD1-CG2 4.14Å; L41-I182 HydrophobicContact CD2-CD1 3.48Å; L41-I182 VanDerWaalsContact CD2-CD1 3.48Å; K176-I182 HydrophobicContact CG-CD1 4.47Å; P179-I182 PolarHBondContact O-N 3.29Å; W180-I182 VanDerWaalsContact C-N 3.29Å; W180-I182 PolarHBondContact O-N 3.05Å; I182-A184 VanDerWaalsContact C-N 3.26Å; I182-A184 PolarHBondContact O-N 3.27Å; I182-A185 WeakPolarHBondContact O-CB 3.48Å; I182-A185 PolarHBondContact O-N 2.9Å; I182-L186 WeakPolarHBondContact O-CG 3.49Å; I182-L186 PolarHBondContact O-N 3.03Å; I182-I198 HydrophobicContact CD1-CD1 3.72Å; I182-A209 HydrophobicContact CD1-CB 3.99Å; I182-A209 HydrophobicContact CG1-CB 3.66Å; I182-A213 HydrophobicContact CB-CB 3.72Å; I182-A213 HydrophobicContact CG1-CB 4.31Å; I182-A213 HydrophobicContact CG2-CB 3.51Å; I182-L215 HydrophobicContact CG2-CD1 3.64Å; I182-L215 HydrophobicContact CG2-CD2 3.76Å; I182-L215 HydrophobicContact CG2-CG 4.38Å
183	R	98.2	Very high	97.8	Very high	140 Å²	140	44.5 Å²	44.5	53%	0.528	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-33.9	175.5	-70	175.8	-177.8	162	3.6	112.4	P179 W180 N187	P179-R183 WeakPolarHBondContact O-CG 3.28Å; P179-R183 PolarHBondContact O-N 2.87Å; P179-R183 VanDerWaalsContact O-N 3.08Å; W180-R183 PolarHBondContact O-N 3.02Å; R183-N187 VanDerWaalsContact O-CG 3.25Å; R183-N187 PolarHBondContact O-N 3.38Å; R183-N187 PolarHBondContact O-ND2 3.18Å
184	A	98.1	Very high	97.7	Very high	8 Å²	8	47.1 Å²	47.1	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-68.6	-41	175	0	0	0	0	0	111.6	Y69 W180 I181 I182 N187 K188	Y69-A184 HydrophobicContact CE1-CB 4.07Å; Y69-A184 WeakPolarHBondContact OH-CB 3.36Å; W180-A184 HydrophobicContact CE3-CB 4.15Å; W180-A184 HydrophobicContact CH2-CB 3.71Å; W180-A184 HydrophobicContact CZ2-CB 4.36Å; W180-A184 HydrophobicContact CZ3-CB 3.62Å; W180-A184 WeakPolarHBondContact O-CB 3.36Å; W180-A184 PolarHBondContact O-N 2.89Å; I181-A184 PolarHBondContact O-N 3.35Å; I182-A184 VanDerWaalsContact C-N 3.26Å; I182-A184 PolarHBondContact O-N 3.27Å; A184-N187 WeakPolarHBondContact O-CB 3.44Å; A184-N187 PolarHBondContact O-N 2.85Å; A184-K188 PolarHBondContact O-N 3.08Å
185	A	98.4	Very high	97.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-43.7	172.7	0	0	0	0	0	112.4	I7 V39 Y69 I181 I182 N187 K188 M189	I7-A185 HydrophobicContact CD1-CB 3.87Å; V39-A185 HydrophobicContact CG1-CB 4.22Å; Y69-A185 HydrophobicContact CD1-CB 3.91Å; Y69-A185 HydrophobicContact CE1-CB 4.14Å; I181-A185 PolarHBondContact O-N 2.91Å; I182-A185 WeakPolarHBondContact O-CB 3.48Å; I182-A185 PolarHBondContact O-N 2.9Å; A185-N187 VanDerWaalsContact C-N 3.32Å; A185-N187 PolarHBondContact O-N 2.9Å; A185-K188 WeakPolarHBondContact O-CB 3.41Å; A185-K188 PolarHBondContact O-N 3.28Å; A185-K188 VanDerWaalsContact O-N 3.15Å; A185-M189 WeakPolarHBondContact O-CG 3.21Å; A185-M189 PolarHBondContact O-N 2.91Å
186	L	98.4	Very high	97.6	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.063	24%	0.244	C	C	.	.	H	α-helix	trans	-56.5	-44.6	172.8	-73	176.1	0	0	0	111.8	I182 K188 M189 Q190 A191 T196 L215	I182-L186 WeakPolarHBondContact O-CG 3.49Å; I182-L186 PolarHBondContact O-N 3.03Å; L186-K188 PolarHBondContact O-N 3.46Å; L186-M189 HydrophobicContact CD2-CE 4.04Å; L186-M189 CarbonylContact O-C 3.47Å; L186-M189 PolarHBondContact O-N 2.97Å; L186-Q190 PolarHBondContact O-N 3.44Å; L186-A191 HydrophobicContact CD2-CB 3.96Å; L186-A191 PolarHBondContact O-N 2.83Å; L186-T196 HydrophobicContact CD2-CG2 3.74Å; L186-T196 WeakPolarHBondContact CD2-OG1 3.38Å; L186-L215 HydrophobicContact CD1-CD1 4.04Å
187	N	97.3	Very high	97.6	Very high	96 Å²	96	50.1 Å²	50.1	51%	0.513	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-40.8	176.5	-72.3	-44.1	0	0	0	112.1	R183 A184 A185 M189 Q190	R183-N187 VanDerWaalsContact O-CG 3.25Å; R183-N187 PolarHBondContact O-N 3.38Å; R183-N187 PolarHBondContact O-ND2 3.18Å; A184-N187 WeakPolarHBondContact O-CB 3.44Å; A184-N187 PolarHBondContact O-N 2.85Å; A185-N187 VanDerWaalsContact C-N 3.32Å; A185-N187 PolarHBondContact O-N 2.9Å; N187-M189 VanDerWaalsContact C-N 3.28Å; N187-M189 PolarHBondContact O-N 2.94Å; N187-Q190 PolarHBondContact O-N 2.88Å; N187-Q190 VanDerWaalsContact O-N 3.17Å
188	K	95.7	Very high	97.7	Very high	95 Å²	95	48.3 Å²	48.3	41%	0.413	23%	0.232	S	C	.	.	H	α-helix	trans	-60.9	-38.1	175.2	173.5	177.6	158.8	72.8	0	111.7	V39 S66 Y69 A184 A185 L186	V39-K188 HydrophobicContact CG2-CD 4.45Å; S66-K188 WeakPolarHBondContact O-CE 3.46Å; S66-K188 PolarHBondContact O-NZ 3.45Å; Y69-K188 HydrophobicContact CD2-CD 3.64Å; Y69-K188 HydrophobicContact CE2-CD 4.15Å; Y69-K188 HydrophobicContact CG-CD 4.1Å; A184-K188 PolarHBondContact O-N 3.08Å; A185-K188 WeakPolarHBondContact O-CB 3.41Å; A185-K188 PolarHBondContact O-N 3.28Å; A185-K188 VanDerWaalsContact O-N 3.15Å; L186-K188 PolarHBondContact O-N 3.46Å
189	M	96.6	Very high	97.7	Very high	24 Å²	24	47.3 Å²	47.3	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-81.6	-11.6	176.7	-64.2	-174	-62.7	0	0	114	N5 I7 P37 V39 A185 L186 N187 A191 T196	N5-M189 HydrophobicContact CB-CE 4.5Å; I7-M189 HydrophobicContact CD1-CE 3.71Å; I7-M189 HydrophobicContact CG1-CE 3.44Å; I7-M189 VanDerWaalsContact CG1-CE 3.44Å; I7-M189 HydrophobicContact CG1-SD 4.31Å; P37-M189 HydrophobicContact CB-CB 4.27Å; P37-M189 HydrophobicContact CB-CG 4.43Å; P37-M189 HydrophobicContact CB-SD 4.36Å; V39-M189 HydrophobicContact CB-CG 4.34Å; V39-M189 HydrophobicContact CB-SD 3.88Å; V39-M189 HydrophobicContact CG2-CG 3.38Å; V39-M189 HydrophobicContact CG2-SD 3.56Å; V39-M189 VanDerWaalsContact CG2-SD 3.56Å; A185-M189 WeakPolarHBondContact O-CG 3.21Å; A185-M189 PolarHBondContact O-N 2.91Å; L186-M189 HydrophobicContact CD2-CE 4.04Å; L186-M189 CarbonylContact O-C 3.47Å; L186-M189 PolarHBondContact O-N 2.97Å; N187-M189 VanDerWaalsContact C-N 3.28Å; N187-M189 PolarHBondContact O-N 2.94Å; M189-A191 HydrophobicContact CB-CB 3.82Å; M189-A191 HydrophobicContact CE-CB 4.18Å; M189-A191 PolarHBondContact O-N 3Å; M189-T196 HydrophobicContact CE-CG2 4.2Å
190	Q	96.8	Very high	97.7	Very high	181 Å²	181	45.8 Å²	45.8	85%	0.846	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	40	-166.7	-58.9	175.7	62.3	0	0	112.3	L186 N187	L186-Q190 PolarHBondContact O-N 3.44Å; N187-Q190 PolarHBondContact O-N 2.88Å; N187-Q190 VanDerWaalsContact O-N 3.17Å
191	A	97.4	Very high	97.8	Very high	15 Å²	15	43.8 Å²	43.8	12%	0.124	21%	0.208	C	C	.	.			trans	-105.2	156.2	-174	0	0	0	0	0	112.7	N5 L186 M189	N5-A191 HydrophobicContact CB-CB 3.97Å; N5-A191 VanDerWaalsContact CG-CB 3.43Å; N5-A191 WeakPolarHBondContact OD1-CB 3.24Å; L186-A191 HydrophobicContact CD2-CB 3.96Å; L186-A191 PolarHBondContact O-N 2.83Å; M189-A191 HydrophobicContact CB-CB 3.82Å; M189-A191 HydrophobicContact CE-CB 4.18Å; M189-A191 PolarHBondContact O-N 3Å
192	H	96.8	Very high	97.7	Very high	129 Å²	129	45.2 Å²	45.2	60%	0.597	22%	0.216	S	C	*	.			trans	-98.9	142.5	171.6	-69.3	-74.9	0	0	0	111.1	E194 E195 T196	H192-E194 VanDerWaalsContact C-N 3.28Å; H192-E194 PolarHBondContact O-N 3.34Å; H192-E195 PolarHBondContact O-N 3.05Å; H192-E195 VanDerWaalsContact O-N 3.14Å; H192-T196 PolarHBondContact O-N 3.36Å; H192-T196 PolarHBondContact O-OG1 2.88Å
193	S	97.1	Very high	97.7	Very high	28 Å²	28	45.3 Å²	45.3	20%	0.196	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-54.5	-42.6	179.1	28.4	0	0	0	0	112.8	E195 T196	S193-E195 PolarHBondContact O-N 3.14Å; S193-E195 VanDerWaalsContact O-N 3.09Å; S193-T196 PolarHBondContact O-N 2.9Å; S193-T196 VanDerWaalsContact O-N 3.09Å
194	E	96	Very high	97.6	Very high	120 Å²	120	45.9 Å²	45.9	56%	0.561	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-70.9	-1.2	-177.5	-60.8	86.7	161.6	0	0	113.7	M1 H192	M1-E194 HydrophobicContact CE-CB 4.46Å; M1-E194 WeakPolarHBondContact CE-O 3.13Å; H192-E194 VanDerWaalsContact C-N 3.28Å; H192-E194 PolarHBondContact O-N 3.34Å
195	E	97.3	Very high	97.6	Very high	64 Å²	64	46.5 Å²	46.5	30%	0.299	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-130.6	16.1	174.7	-55.1	-172.3	140.6	0	0	110.9	K4 N5 H192 S193	K4-E195 HydrophobicContact CB-CB 4.11Å; K4-E195 HydrophobicContact CD-CB 4.39Å; K4-E195 VanDerWaalsContact CD-OE2 3.31Å; K4-E195 WeakPolarHBondContact CD-OE2 3.22Å; K4-E195 VanDerWaalsContact CE-OE1 3.24Å; K4-E195 WeakPolarHBondContact CE-OE1 3.25Å; K4-E195 HydrophobicContact CG-CB 4.23Å; K4-E195 PolarHBondContact N-O 3.08Å; K4-E195 IonicContact NZ-OE1 2.64Å; K4-E195 PolarHBondContact NZ-OE1 2.99Å; K4-E195 IonicContact NZ-OE2 2.99Å; K4-E195 PolarHBondContact NZ-OE2 2.91Å; N5-E195 PolarHBondContact N-O 3.05Å; N5-E195 PolarHBondContact ND2-O 3.34Å; N5-E195 VanDerWaalsContact ND2-O 3.12Å; H192-E195 PolarHBondContact O-N 3.05Å; H192-E195 VanDerWaalsContact O-N 3.14Å; S193-E195 PolarHBondContact O-N 3.14Å; S193-E195 VanDerWaalsContact O-N 3.09Å
196	T	98.5	Very high	97.6	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.7	-177	-54.7	0	0	0	0	110.8	N5 I7 L186 M189 H192 S193 L215 E216	N5-T196 HydrophobicContact CB-CG2 4Å; N5-T196 WeakPolarHBondContact CB-OG1 3.5Å; N5-T196 PolarHBondContact ND2-OG1 2.81Å; N5-T196 WeakPolarHBondContact O-CA 3.43Å; I7-T196 HydrophobicContact CD1-CG2 4.2Å; I7-T196 HydrophobicContact CG1-CG2 4.02Å; L186-T196 HydrophobicContact CD2-CG2 3.74Å; L186-T196 WeakPolarHBondContact CD2-OG1 3.38Å; M189-T196 HydrophobicContact CE-CG2 4.2Å; H192-T196 PolarHBondContact O-N 3.36Å; H192-T196 PolarHBondContact O-OG1 2.88Å; S193-T196 PolarHBondContact O-N 2.9Å; S193-T196 VanDerWaalsContact O-N 3.09Å; T196-L215 HydrophobicContact CG2-CD2 3.62Å; T196-L215 HydrophobicContact CG2-CG 4.09Å; T196-E216 PolarHBondContact O-N 3.4Å
197	V	98.6	Very high	97.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.7	170.3	70.8	0	0	0	0	110.2	I3 N5 V6 I7 E216 I218 W239 I250	I3-V197 HydrophobicContact CD1-CB 4.08Å; I3-V197 HydrophobicContact CD1-CG1 4.15Å; I3-V197 HydrophobicContact CD1-CG2 4.39Å; I3-V197 HydrophobicContact CG1-CB 4.46Å; I3-V197 HydrophobicContact CG2-CB 4.18Å; I3-V197 HydrophobicContact CG2-CG1 3.67Å; N5-V197 PolarHBondContact O-N 3.03Å; V6-V197 HydrophobicContact CB-CG1 4.49Å; V6-V197 HydrophobicContact CG1-CG1 4.24Å; V6-V197 HydrophobicContact CG2-CG1 4.2Å; I7-V197 PolarHBondContact N-O 3.42Å; V197-E216 WeakPolarHBondContact CA-O 3.39Å; V197-E216 HydrophobicContact CG2-CB 4.19Å; V197-E216 WeakPolarHBondContact CG2-O 3.35Å; V197-I218 HydrophobicContact CG1-CD1 4.38Å; V197-I218 HydrophobicContact CG2-CB 4.43Å; V197-I218 HydrophobicContact CG2-CD1 3.57Å; V197-I218 HydrophobicContact CG2-CG1 3.61Å; V197-W239 HydrophobicContact CG2-CZ3 4.37Å; V197-I250 HydrophobicContact CG1-CD1 3.86Å; V197-I250 HydrophobicContact CG1-CG1 4.28Å
198	I	98.8	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.5	163.3	-174.4	167.3	0	0	0	110.7	I7 I182 D206 L215 E216 T217 I218	I7-I198 HydrophobicContact CB-CB 4.31Å; I7-I198 HydrophobicContact CB-CG1 4.22Å; I7-I198 HydrophobicContact CG2-CD1 4.09Å; I7-I198 HydrophobicContact CG2-CG1 4.1Å; I7-I198 CarbonylContact O-C 3.53Å; I7-I198 VanDerWaalsContact O-CA 3.25Å; I7-I198 WeakPolarHBondContact O-CA 3.39Å; I182-I198 HydrophobicContact CD1-CD1 3.72Å; I198-D206 HydrophobicContact CD1-CB 4.37Å; I198-L215 HydrophobicContact CB-CD2 4.03Å; I198-L215 HydrophobicContact CG2-CB 4.47Å; I198-L215 HydrophobicContact CG2-CD2 4.33Å; I198-E216 PolarHBondContact N-O 3.43Å; I198-T217 HydrophobicContact CG2-CG2 3.72Å; I198-T217 WeakPolarHBondContact O-CA 3.48Å; I198-I218 PolarHBondContact O-N 2.97Å
199	V	98.9	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.7	171.3	-171.5	0	0	0	0	108.4	V6 I7 D9 V13 F27 I218 V220 V244 I247 I250	V6-V199 HydrophobicContact CG1-CG2 4.27Å; I7-V199 PolarHBondContact O-N 3.19Å; D9-V199 PolarHBondContact N-O 2.93Å; V13-V199 HydrophobicContact CG1-CG1 3.88Å; F27-V199 HydrophobicContact CZ-CG2 4.22Å; V199-I218 WeakPolarHBondContact CA-O 3.49Å; V199-I218 HydrophobicContact CG1-CB 4.41Å; V199-I218 HydrophobicContact CG1-CG2 4.22Å; V199-I218 HydrophobicContact CG2-CB 4.16Å; V199-I218 HydrophobicContact CG2-CD1 4.13Å; V199-V220 HydrophobicContact CG1-CG1 3.93Å; V199-V244 HydrophobicContact CG1-CG1 4.29Å; V199-I247 HydrophobicContact CG1-CD1 3.87Å; V199-I247 HydrophobicContact CG2-CD1 4.38Å; V199-I250 HydrophobicContact CG2-CD1 4.23Å
200	G	98.7	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162	-177.5	0	0	0	0	0	112.5	I218 L219 V220	G200-I218 PolarHBondContact N-O 3.48Å; G200-L219 CarbonylContact O-C 3.59Å; G200-L219 WeakPolarHBondContact O-CA 3.17Å; G200-V220 PolarHBondContact O-N 2.62Å
201	D	98.2	Very high	97.8	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.032	16%	0.162	C	C	.	.	S	Bend	trans	-104.9	-9.3	179.2	73.9	-40.3	0	0	0	113.2	V13 V220 G223 V224 S225	V13-D201 HydrophobicContact CG2-CB 3.83Å; D201-V220 WeakPolarHBondContact CA-O 3.29Å; D201-V220 HydrophobicContact CB-CG2 4.13Å; D201-G223 VanDerWaalsContact OD2-CA 3.24Å; D201-G223 WeakPolarHBondContact OD2-CA 3.35Å; D201-V224 VanDerWaalsContact OD2-CG2 3.31Å; D201-V224 WeakPolarHBondContact OD2-CG2 3.4Å; D201-V224 PolarHBondContact OD2-N 3.47Å; D201-S225 VanDerWaalsContact O-CB 3.25Å; D201-S225 WeakPolarHBondContact O-CB 3.19Å; D201-S225 PolarHBondContact O-N 3Å; D201-S225 PolarHBondContact O-OG 2.89Å
202	N	97.7	Very high	97.9	Very high	31 Å²	31	38.3 Å²	38.3	17%	0.166	18%	0.178	C	C	.	.			trans	-123.4	115.6	-173.3	-177.5	-11.5	0	0	0	112.4	R204 T205 D206 I207 V224 S225	N202-R204 PolarHBondContact O-N 2.95Å; N202-R204 PolarHBondContact OD1-N 3.2Å; N202-T205 WeakPolarHBondContact CB-OG1 3.3Å; N202-T205 PolarHBondContact ND2-OG1 2.91Å; N202-T205 PolarHBondContact O-N 2.93Å; N202-D206 WeakPolarHBondContact CB-OD2 3.46Å; N202-D206 PolarHBondContact N-OD2 3.28Å; N202-D206 VanDerWaalsContact N-OD2 3.1Å; N202-D206 PolarHBondContact O-N 3.41Å; N202-I207 PolarHBondContact O-N 3.05Å; N202-V224 HydrophobicContact CB-CB 4.05Å; N202-V224 HydrophobicContact CB-CG1 4.28Å; N202-S225 WeakPolarHBondContact CA-OG 3.38Å
203	L	98.1	Very high	97.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	15%	0.153	C	C	.	.	I	π-helix	trans	-56	-35.5	179.1	-75.4	164.9	0	0	0	112.8	I207 L208 L219 S225 D229 I230 M233 F235 P237	L203-I207 HydrophobicContact CD2-CB 4.31Å; L203-I207 HydrophobicContact CD2-CG1 4.17Å; L203-I207 HydrophobicContact CD2-CG2 4.23Å; L203-L208 WeakPolarHBondContact O-CB 3.4Å; L203-L208 PolarHBondContact O-N 3.22Å; L203-L219 HydrophobicContact CD2-CD2 4.05Å; L203-L219 HydrophobicContact CG-CD1 4.4Å; L203-L219 HydrophobicContact CG-CD2 4.2Å; L203-S225 PolarHBondContact N-OG 3.17Å; L203-D229 HydrophobicContact CD1-CB 3.65Å; L203-I230 HydrophobicContact CD1-CG1 4.05Å; L203-M233 HydrophobicContact CB-CG 4.06Å; L203-M233 HydrophobicContact CB-SD 4.29Å; L203-M233 HydrophobicContact CD1-CG 3.91Å; L203-M233 HydrophobicContact CD2-CG 4.37Å; L203-M233 HydrophobicContact CG-CG 4.35Å; L203-F235 VanDerWaalsContact O-CZ 3.31Å; L203-F235 WeakPolarHBondContact O-CZ 3.39Å; L203-P237 HydrophobicContact CD2-CG 4.48Å
204	R	96.8	Very high	97.9	Very high	152 Å²	152	33.5 Å²	33.5	57%	0.574	17%	0.166	S	C	*	.	I	π-helix	trans	-86.6	-12.3	-173.4	-60.2	-176.9	-173.9	-80.8	-1.7	113.6	P177 N202 M233	P177-R204 WeakPolarHBondContact CB-O 3.32Å; N202-R204 PolarHBondContact O-N 2.95Å; N202-R204 PolarHBondContact OD1-N 3.2Å; R204-M233 HydrophobicContact CG-SD 4.39Å; R204-M233 VanDerWaalsContact CZ-CE 3.45Å; R204-M233 VanDerWaalsContact NH2-CE 3.26Å
205	T	97.1	Very high	98	Very high	21 Å²	21	28.2 Å²	28.2	13%	0.129	14%	0.142	C	C	.	.	I	π-helix	trans	-116.5	-69.9	178.7	50.6	0	0	0	0	111.1	N202 A209	N202-T205 WeakPolarHBondContact CB-OG1 3.3Å; N202-T205 PolarHBondContact ND2-OG1 2.91Å; N202-T205 PolarHBondContact O-N 2.93Å; T205-A209 WeakPolarHBondContact O-CB 3.39Å; T205-A209 PolarHBondContact O-N 2.9Å
206	D	98.2	Very high	98	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.141	C	C	.	.	I	π-helix	trans	-73.5	-51.4	-168.4	-45.8	-62.3	0	0	0	111.3	K176 I198 N202 A209 G210	K176-D206 WeakPolarHBondContact CD-OD1 3.48Å; K176-D206 WeakPolarHBondContact CE-OD1 3.47Å; K176-D206 IonicContact NZ-OD1 2.81Å; K176-D206 PolarHBondContact NZ-OD1 3.2Å; I198-D206 HydrophobicContact CD1-CB 4.37Å; N202-D206 WeakPolarHBondContact CB-OD2 3.46Å; N202-D206 PolarHBondContact N-OD2 3.28Å; N202-D206 VanDerWaalsContact N-OD2 3.1Å; N202-D206 PolarHBondContact O-N 3.41Å; D206-A209 PolarHBondContact O-N 2.8Å; D206-G210 PolarHBondContact O-N 3.23Å
207	I	98.5	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-67.4	-44	-177.1	-50.8	-54.4	0	0	0	109.4	N202 L203 A209 G210 F211 T217 L219 F235 P237	N202-I207 PolarHBondContact O-N 3.05Å; L203-I207 HydrophobicContact CD2-CB 4.31Å; L203-I207 HydrophobicContact CD2-CG1 4.17Å; L203-I207 HydrophobicContact CD2-CG2 4.23Å; I207-A209 PolarHBondContact O-N 3.4Å; I207-G210 PolarHBondContact O-N 3.3Å; I207-F211 WeakPolarHBondContact O-CB 3.39Å; I207-F211 PolarHBondContact O-N 3.15Å; I207-T217 HydrophobicContact CG2-CG2 4.19Å; I207-L219 HydrophobicContact CD1-CB 4.08Å; I207-L219 HydrophobicContact CD1-CD1 4.29Å; I207-L219 HydrophobicContact CG1-CB 4.42Å; I207-L219 HydrophobicContact CG1-CD1 4.05Å; I207-F235 HydrophobicContact CB-CE2 4.3Å; I207-F235 HydrophobicContact CG2-CD2 4.14Å; I207-F235 HydrophobicContact CG2-CE2 3.87Å; I207-P237 HydrophobicContact CG2-CB 4.01Å
208	L	98.2	Very high	98	Very high	37 Å²	37	28 Å²	28	19%	0.194	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-44.4	175.2	-178.2	58.1	0	0	0	112.1	P177 L203 Q212 F235	P177-L208 HydrophobicContact CB-CB 4.22Å; P177-L208 HydrophobicContact CB-CD2 3.83Å; P177-L208 HydrophobicContact CB-CG 4.07Å; P177-L208 HydrophobicContact CG-CD2 4.3Å; L203-L208 WeakPolarHBondContact O-CB 3.4Å; L203-L208 PolarHBondContact O-N 3.22Å; L208-Q212 HydrophobicContact CD1-CG 3.98Å; L208-Q212 WeakPolarHBondContact O-CB 3.33Å; L208-Q212 VanDerWaalsContact O-CG 3.29Å; L208-Q212 WeakPolarHBondContact O-CG 3.46Å; L208-Q212 PolarHBondContact O-N 2.88Å; L208-F235 HydrophobicContact CB-CE2 4.43Å; L208-F235 HydrophobicContact CB-CZ 3.91Å; L208-F235 HydrophobicContact CD1-CD1 4.3Å; L208-F235 HydrophobicContact CD1-CE1 3.72Å; L208-F235 HydrophobicContact CD1-CZ 3.97Å; L208-F235 HydrophobicContact CG-CZ 4.45Å
209	A	98.4	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-45.5	179.1	0	0	0	0	0	112	K176 I182 T205 D206 I207 A213	K176-A209 HydrophobicContact CB-CB 4.41Å; K176-A209 HydrophobicContact CG-CB 4.2Å; I182-A209 HydrophobicContact CD1-CB 3.99Å; I182-A209 HydrophobicContact CG1-CB 3.66Å; T205-A209 WeakPolarHBondContact O-CB 3.39Å; T205-A209 PolarHBondContact O-N 2.9Å; D206-A209 PolarHBondContact O-N 2.8Å; I207-A209 PolarHBondContact O-N 3.4Å; A209-A213 VanDerWaalsContact O-CB 3.22Å; A209-A213 WeakPolarHBondContact O-CB 3.42Å; A209-A213 PolarHBondContact O-N 2.9Å
210	G	98.3	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.3	-51.8	176.6	0	0	0	0	0	112.2	D206 I207 Q212 A213 G214 L215	D206-G210 PolarHBondContact O-N 3.23Å; I207-G210 PolarHBondContact O-N 3.3Å; G210-Q212 PolarHBondContact O-N 3.4Å; G210-A213 CarbonylContact O-C 3.04Å; G210-A213 WeakPolarHBondContact O-CA 3.46Å; G210-A213 PolarHBondContact O-N 3.09Å; G210-G214 PolarHBondContact O-N 2.97Å; G210-L215 PolarHBondContact O-N 3.19Å
211	F	97.3	Very high	98	Very high	115 Å²	115	30.6 Å²	30.6	50%	0.504	15%	0.154	S	C	.	.	H	α-helix	trans	-56	-48.1	178	176.8	-100.3	0	0	0	111.7	I207 A213 G214 F235	I207-F211 WeakPolarHBondContact O-CB 3.39Å; I207-F211 PolarHBondContact O-N 3.15Å; F211-A213 VanDerWaalsContact C-N 3.25Å; F211-A213 PolarHBondContact O-N 3.28Å; F211-G214 PolarHBondContact O-N 3.32Å; F211-G214 VanDerWaalsContact O-N 3.17Å; F211-F235 HydrophobicContact CD1-CB 4.32Å; F211-F235 HydrophobicContact CD1-CG 4.49Å; F211-F235 HydrophobicContact CE1-CB 4.19Å; F211-F235 HydrophobicContact CE2-CB 4.37Å; F211-F235 HydrophobicContact CG-CB 4.48Å; F211-F235 HydrophobicContact CZ-CB 4.21Å
212	Q	97.5	Very high	98	Very high	99 Å²	99	31.4 Å²	31.4	46%	0.463	16%	0.16	S	C	.	.	H	α-helix	trans	-68.6	-23	178.2	-72.8	-174.3	-16.9	0	0	113.8	P179 L208 G210	P179-Q212 HydrophobicContact CB-CB 4.08Å; P179-Q212 HydrophobicContact CG-CB 4.35Å; L208-Q212 HydrophobicContact CD1-CG 3.98Å; L208-Q212 WeakPolarHBondContact O-CB 3.33Å; L208-Q212 VanDerWaalsContact O-CG 3.29Å; L208-Q212 WeakPolarHBondContact O-CG 3.46Å; L208-Q212 PolarHBondContact O-N 2.88Å; G210-Q212 PolarHBondContact O-N 3.4Å
213	A	97.8	Very high	97.9	Very high	9 Å²	9	31.5 Å²	31.5	7%	0.074	17%	0.169	C	C	.	.	H	α-helix	trans	-89.9	-4	175.5	0	0	0	0	0	113.5	P179 I182 A209 G210 F211 L215	P179-A213 HydrophobicContact CB-CB 4.17Å; I182-A213 HydrophobicContact CB-CB 3.72Å; I182-A213 HydrophobicContact CG1-CB 4.31Å; I182-A213 HydrophobicContact CG2-CB 3.51Å; A209-A213 VanDerWaalsContact O-CB 3.22Å; A209-A213 WeakPolarHBondContact O-CB 3.42Å; A209-A213 PolarHBondContact O-N 2.9Å; G210-A213 CarbonylContact O-C 3.04Å; G210-A213 WeakPolarHBondContact O-CA 3.46Å; G210-A213 PolarHBondContact O-N 3.09Å; F211-A213 VanDerWaalsContact C-N 3.25Å; F211-A213 PolarHBondContact O-N 3.28Å; A213-L215 HydrophobicContact CB-CD1 3.83Å
214	G	97	Very high	97.8	Very high	46 Å²	46	36 Å²	36	47%	0.474	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	20.7	177.8	0	0	0	0	0	114.7	G210 F211	G210-G214 PolarHBondContact O-N 2.97Å; F211-G214 PolarHBondContact O-N 3.32Å; F211-G214 VanDerWaalsContact O-N 3.17Å
215	L	98.3	Very high	97.8	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.052	17%	0.173	C	C	.	.			trans	-87.1	154.7	174.7	-78.4	65.5	0	0	0	110.4	I7 I182 L186 T196 I198 G210 A213	I7-L215 HydrophobicContact CD1-CD2 3.96Å; I182-L215 HydrophobicContact CG2-CD1 3.64Å; I182-L215 HydrophobicContact CG2-CD2 3.76Å; I182-L215 HydrophobicContact CG2-CG 4.38Å; L186-L215 HydrophobicContact CD1-CD1 4.04Å; T196-L215 HydrophobicContact CG2-CD2 3.62Å; T196-L215 HydrophobicContact CG2-CG 4.09Å; I198-L215 HydrophobicContact CB-CD2 4.03Å; I198-L215 HydrophobicContact CG2-CB 4.47Å; I198-L215 HydrophobicContact CG2-CD2 4.33Å; G210-L215 PolarHBondContact O-N 3.19Å; A213-L215 HydrophobicContact CB-CD1 3.83Å
216	E	97.9	Very high	97.8	Very high	59 Å²	59	30.8 Å²	30.8	28%	0.276	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	153.6	156.8	-64.9	-65.5	161.3	0	0	109.9	M1 T196 V197 I198 S238 W239	M1-E216 HydrophobicContact CE-CG 3.64Å; M1-E216 HydrophobicContact SD-CG 3.52Å; M1-E216 VanDerWaalsContact SD-CG 3.52Å; M1-E216 VanDerWaalsContact SD-OE1 3.36Å; T196-E216 PolarHBondContact O-N 3.4Å; V197-E216 WeakPolarHBondContact CA-O 3.39Å; V197-E216 HydrophobicContact CG2-CB 4.19Å; V197-E216 WeakPolarHBondContact CG2-O 3.35Å; I198-E216 PolarHBondContact N-O 3.43Å; E216-S238 WeakPolarHBondContact OE2-CB 3.49Å; E216-S238 PolarHBondContact OE2-OG 3.47Å; E216-W239 HydrophobicContact CB-CH2 4.19Å; E216-W239 HydrophobicContact CB-CZ3 3.69Å; E216-W239 HydrophobicContact CG-CH2 4.17Å; E216-W239 HydrophobicContact CG-CZ3 4.19Å
217	T	98.5	Very high	97.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.2	-171.9	54.3	0	0	0	0	111.2	I198 I207 P237 S238 W239	I198-T217 HydrophobicContact CG2-CG2 3.72Å; I198-T217 WeakPolarHBondContact O-CA 3.48Å; I207-T217 HydrophobicContact CG2-CG2 4.19Å; T217-P237 VanDerWaalsContact OG1-CA 3.24Å; T217-P237 WeakPolarHBondContact OG1-CA 3.32Å; T217-S238 PolarHBondContact N-OG 2.86Å; T217-S238 WeakPolarHBondContact O-CA 3.38Å; T217-S238 WeakPolarHBondContact O-CB 3.47Å; T217-S238 PolarHBondContact O-N 2.87Å; T217-S238 PolarHBondContact OG1-N 3.04Å; T217-S238 VanDerWaalsContact OG1-N 3.15Å; T217-S238 PolarHBondContact OG1-OG 3.09Å; T217-W239 PolarHBondContact O-N 2.92Å; T217-W239 VanDerWaalsContact O-N 3.07Å
218	I	98.7	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.3	171.7	-64.4	168.3	0	0	0	107.5	V197 I198 V199 G200 V220 W239 Y241 I247 V249 I250	V197-I218 HydrophobicContact CG1-CD1 4.38Å; V197-I218 HydrophobicContact CG2-CB 4.43Å; V197-I218 HydrophobicContact CG2-CD1 3.57Å; V197-I218 HydrophobicContact CG2-CG1 3.61Å; I198-I218 PolarHBondContact O-N 2.97Å; V199-I218 WeakPolarHBondContact CA-O 3.49Å; V199-I218 HydrophobicContact CG1-CB 4.41Å; V199-I218 HydrophobicContact CG1-CG2 4.22Å; V199-I218 HydrophobicContact CG2-CB 4.16Å; V199-I218 HydrophobicContact CG2-CD1 4.13Å; G200-I218 PolarHBondContact N-O 3.48Å; I218-V220 HydrophobicContact CG2-CG1 4.47Å; I218-W239 HydrophobicContact CD1-CE3 4.36Å; I218-W239 HydrophobicContact CG1-CB 4.24Å; I218-W239 HydrophobicContact CG1-CD2 4.45Å; I218-W239 HydrophobicContact CG1-CE3 3.68Å; I218-W239 HydrophobicContact CG1-CZ3 4.45Å; I218-Y241 HydrophobicContact CG2-CD2 3.74Å; I218-Y241 HydrophobicContact CG2-CE2 4.21Å; I218-I247 HydrophobicContact CD1-CG2 4.16Å; I218-I247 HydrophobicContact CG2-CD1 3.96Å; I218-I247 HydrophobicContact CG2-CG1 4.31Å; I218-V249 HydrophobicContact CD1-CG2 3.76Å; I218-I250 HydrophobicContact CD1-CD1 3.92Å; I218-I250 HydrophobicContact CD1-CG1 4.12Å
219	L	98.8	Very high	97.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.9	169.1	178.3	68.3	0	0	0	109.4	G200 L203 I207 L221 I230 P237 W239 I240 Y241	G200-L219 CarbonylContact O-C 3.59Å; G200-L219 WeakPolarHBondContact O-CA 3.17Å; L203-L219 HydrophobicContact CD2-CD2 4.05Å; L203-L219 HydrophobicContact CG-CD1 4.4Å; L203-L219 HydrophobicContact CG-CD2 4.2Å; I207-L219 HydrophobicContact CD1-CB 4.08Å; I207-L219 HydrophobicContact CD1-CD1 4.29Å; I207-L219 HydrophobicContact CG1-CB 4.42Å; I207-L219 HydrophobicContact CG1-CD1 4.05Å; L219-L221 HydrophobicContact CD2-CD2 4.13Å; L219-L221 HydrophobicContact CG-CD2 4.43Å; L219-I230 HydrophobicContact CD2-CD1 4.05Å; L219-I230 HydrophobicContact CD2-CG1 4.17Å; L219-P237 HydrophobicContact CB-CB 3.81Å; L219-P237 HydrophobicContact CB-CG 3.85Å; L219-P237 HydrophobicContact CD2-CG 4.21Å; L219-W239 PolarHBondContact N-O 2.7Å; L219-I240 HydrophobicContact CB-CG1 4.43Å; L219-I240 HydrophobicContact CD2-CG2 4.45Å; L219-I240 CarbonylContact O-C 3.57Å; L219-I240 VanDerWaalsContact O-CA 3.3Å; L219-I240 WeakPolarHBondContact O-CA 3.36Å; L219-Y241 PolarHBondContact O-N 3.32Å
220	V	98.8	Very high	97.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.1	165.1	-64	0	0	0	0	110.6	V13 V199 G200 D201 I218 S222 Y241 V244 I247	V13-V220 HydrophobicContact CB-CG2 4.16Å; V13-V220 HydrophobicContact CG1-CG2 3.97Å; V13-V220 HydrophobicContact CG2-CG2 3.76Å; V199-V220 HydrophobicContact CG1-CG1 3.93Å; G200-V220 PolarHBondContact O-N 2.62Å; D201-V220 WeakPolarHBondContact CA-O 3.29Å; D201-V220 HydrophobicContact CB-CG2 4.13Å; I218-V220 HydrophobicContact CG2-CG1 4.47Å; V220-S222 VanDerWaalsContact C-N 3.31Å; V220-S222 WeakPolarHBondContact CG2-OG 3.24Å; V220-Y241 CarbonylContact C-O 3.45Å; V220-Y241 WeakPolarHBondContact CA-O 3.39Å; V220-V244 HydrophobicContact CG1-CG1 4.2Å; V220-I247 HydrophobicContact CG1-CD1 4.1Å
221	L	98.4	Very high	97.2	Very high	53 Å²	53	50 Å²	50	28%	0.277	29%	0.286	S	S	.	.	S	Bend	trans	-92.5	9.5	-177.3	-57.6	173	0	0	0	113.1	L219 G223 L227 I240 Y241 P242	L219-L221 HydrophobicContact CD2-CD2 4.13Å; L219-L221 HydrophobicContact CG-CD2 4.43Å; L221-G223 PolarHBondContact O-N 3.4Å; L221-L227 HydrophobicContact CD1-CD1 4.04Å; L221-L227 HydrophobicContact CD1-CD2 3.84Å; L221-L227 HydrophobicContact CD1-CG 3.62Å; L221-L227 HydrophobicContact CD2-CD2 4.27Å; L221-L227 HydrophobicContact CD2-CG 4.19Å; L221-I240 HydrophobicContact CD1-CG2 4.09Å; L221-I240 HydrophobicContact CD2-CG2 4.12Å; L221-I240 HydrophobicContact CG-CG2 4.05Å; L221-Y241 PolarHBondContact N-O 3.38Å; L221-P242 CarbonylContact C-O 3.58Å; L221-P242 PolarHBondContact N-O 3.12Å
222	S	98	Very high	97.1	Very high	23 Å²	23	47.9 Å²	47.9	16%	0.161	29%	0.286	C	S	.	.	S	Bend	trans	-77.5	-1.7	-179.2	52	0	0	0	0	113.9	G12 H16 V220 P242	G12-S222 CarbonylContact O-C 3.53Å; G12-S222 VanDerWaalsContact O-C 3.26Å; G12-S222 WeakPolarHBondContact O-CB 3.36Å; G12-S222 PolarHBondContact O-OG 2.96Å; H16-S222 PolarHBondContact CE1-O 3.42Å; H16-S222 PolarHBondContact NE2-O 3.37Å; V220-S222 VanDerWaalsContact C-N 3.31Å; V220-S222 WeakPolarHBondContact CG2-OG 3.24Å; S222-P242 PolarHBondContact N-O 2.96Å; S222-P242 VanDerWaalsContact N-O 3.09Å
223	G	96	Very high	97	Very high	33 Å²	33	44.3 Å²	44.3	34%	0.34	27%	0.269	S	S	.	.	S	Bend	trans	-132.9	-121.4	-172.9	0	0	0	0	0	114	G12 D201 L221	G12-G223 PolarHBondContact O-N 3.44Å; D201-G223 VanDerWaalsContact OD2-CA 3.24Å; D201-G223 WeakPolarHBondContact OD2-CA 3.35Å; L221-G223 PolarHBondContact O-N 3.4Å
224	V	95.1	Very high	96.8	Very high	97 Å²	97	50 Å²	50	59%	0.588	31%	0.305	S	S	*	.	S	Bend	trans	-79.8	-50.8	-165.6	172.6	0	0	0	0	113.7	D201 N202	D201-V224 VanDerWaalsContact OD2-CG2 3.31Å; D201-V224 WeakPolarHBondContact OD2-CG2 3.4Å; D201-V224 PolarHBondContact OD2-N 3.47Å; N202-V224 HydrophobicContact CB-CB 4.05Å; N202-V224 HydrophobicContact CB-CG1 4.28Å
225	S	96.8	Very high	96.7	Very high	11 Å²	11	49 Å²	49	8%	0.077	29%	0.288	C	S	.	.			trans	-85.8	144.3	-175.7	-64.9	0	0	0	0	112	D201 N202 L203	D201-S225 VanDerWaalsContact O-CB 3.25Å; D201-S225 WeakPolarHBondContact O-CB 3.19Å; D201-S225 PolarHBondContact O-N 3Å; D201-S225 PolarHBondContact O-OG 2.89Å; N202-S225 WeakPolarHBondContact CA-OG 3.38Å; L203-S225 PolarHBondContact N-OG 3.17Å
226	S	96.7	Very high	96.6	Very high	51 Å²	51	56.5 Å²	56.5	36%	0.357	32%	0.315	S	S	.	.			trans	-105.9	170.5	175.2	69.3	0	0	0	0	111.4	D228 D229	S226-D228 PolarHBondContact O-N 3.4Å; S226-D229 WeakPolarHBondContact CB-OD2 3.18Å; S226-D229 PolarHBondContact N-OD2 3.07Å; S226-D229 PolarHBondContact O-N 3.31Å; S226-D229 PolarHBondContact OG-N 3.45Å; S226-D229 PolarHBondContact OG-OD2 3.38Å
227	L	96	Very high	96.6	Very high	99 Å²	99	54.3 Å²	54.3	52%	0.518	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-36.6	173	-75	171.6	0	0	0	112.2	L221 D229 I230 I240	L221-L227 HydrophobicContact CD1-CD1 4.04Å; L221-L227 HydrophobicContact CD1-CD2 3.84Å; L221-L227 HydrophobicContact CD1-CG 3.62Å; L221-L227 HydrophobicContact CD2-CD2 4.27Å; L221-L227 HydrophobicContact CD2-CG 4.19Å; L227-D229 PolarHBondContact O-N 3.03Å; L227-I230 HydrophobicContact CD2-CD1 3.89Å; L227-I230 WeakPolarHBondContact O-CB 3.38Å; L227-I230 WeakPolarHBondContact O-CG1 3.32Å; L227-I230 PolarHBondContact O-N 3.37Å; L227-I240 HydrophobicContact CD2-CG2 3.88Å
228	D	96.5	Very high	96.6	Very high	146 Å²	146	56.4 Å²	56.4	78%	0.781	32%	0.321	S	S	*	.	H	α-helix	trans	-67.4	-25.2	-178.5	-66.6	-16.1	0	0	0	112.1	S226 I230	S226-D228 PolarHBondContact O-N 3.4Å; D228-I230 VanDerWaalsContact C-N 3.27Å; D228-I230 PolarHBondContact O-N 3.41Å
229	D	96.7	Very high	96.5	Very high	60 Å²	60	60.3 Å²	60.3	32%	0.321	34%	0.336	S	S	.	.	H	α-helix	trans	-70	-25.1	178.1	-66.5	-58	0	0	0	112.7	L203 S226 L227 D231 S232	L203-D229 HydrophobicContact CD1-CB 3.65Å; S226-D229 WeakPolarHBondContact CB-OD2 3.18Å; S226-D229 PolarHBondContact N-OD2 3.07Å; S226-D229 PolarHBondContact O-N 3.31Å; S226-D229 PolarHBondContact OG-N 3.45Å; S226-D229 PolarHBondContact OG-OD2 3.38Å; L227-D229 PolarHBondContact O-N 3.03Å; D229-D231 PolarHBondContact O-N 2.5Å; D229-S232 WeakPolarHBondContact O-CB 3.19Å; D229-S232 PolarHBondContact O-N 3.15Å; D229-S232 VanDerWaalsContact O-N 3.14Å; D229-S232 PolarHBondContact O-OG 2.86Å
230	I	95.6	Very high	96.5	Very high	13 Å²	13	63.7 Å²	63.7	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-44	-172.1	-62.4	173.1	0	0	0	111.3	L203 L219 L227 D228 S232 M233 R236 I240	L203-I230 HydrophobicContact CD1-CG1 4.05Å; L219-I230 HydrophobicContact CD2-CD1 4.05Å; L219-I230 HydrophobicContact CD2-CG1 4.17Å; L227-I230 HydrophobicContact CD2-CD1 3.89Å; L227-I230 WeakPolarHBondContact O-CB 3.38Å; L227-I230 WeakPolarHBondContact O-CG1 3.32Å; L227-I230 PolarHBondContact O-N 3.37Å; D228-I230 VanDerWaalsContact C-N 3.27Å; D228-I230 PolarHBondContact O-N 3.41Å; I230-S232 PolarHBondContact O-N 3.47Å; I230-M233 PolarHBondContact O-N 3.41Å; I230-R236 HydrophobicContact CG2-CG 4.18Å; I230-I240 HydrophobicContact CD1-CD1 3.48Å; I230-I240 VanDerWaalsContact CD1-CD1 3.48Å; I230-I240 HydrophobicContact CD1-CG1 4.16Å
231	D	94.1	Very high	96.5	Very high	124 Å²	124	65 Å²	65	66%	0.663	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.5	-177.8	-75.2	-27	0	0	0	113	D229 R236	D229-D231 PolarHBondContact O-N 2.5Å; D231-R236 IonicContact OD1-CZ 3.95Å; D231-R236 IonicContact OD1-NH2 2.88Å; D231-R236 PolarHBondContact OD1-NH2 3.24Å
232	S	95	Very high	96.5	Very high	71 Å²	71	66 Å²	66	50%	0.497	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.9	171.8	80.1	0	0	0	0	113.5	D229 I230	D229-S232 WeakPolarHBondContact O-CB 3.19Å; D229-S232 PolarHBondContact O-N 3.15Å; D229-S232 VanDerWaalsContact O-N 3.14Å; D229-S232 PolarHBondContact O-OG 2.86Å; I230-S232 PolarHBondContact O-N 3.47Å
233	M	95.6	Very high	96.5	Very high	24 Å²	24	65.6 Å²	65.6	12%	0.118	37%	0.366	C	S	.	.	S	Bend	trans	-92.1	143.2	-178.7	-66.3	-60.1	104.3	0	0	111.7	L203 R204 I230 F235	L203-M233 HydrophobicContact CB-CG 4.06Å; L203-M233 HydrophobicContact CB-SD 4.29Å; L203-M233 HydrophobicContact CD1-CG 3.91Å; L203-M233 HydrophobicContact CD2-CG 4.37Å; L203-M233 HydrophobicContact CG-CG 4.35Å; R204-M233 HydrophobicContact CG-SD 4.39Å; R204-M233 VanDerWaalsContact CZ-CE 3.45Å; R204-M233 VanDerWaalsContact NH2-CE 3.26Å; I230-M233 PolarHBondContact O-N 3.41Å; M233-F235 HydrophobicContact CB-CE1 4.37Å; M233-F235 HydrophobicContact CB-CZ 4.38Å; M233-F235 WeakPolarHBondContact CB-O 3.34Å; M233-F235 HydrophobicContact CG-CZ 4.28Å; M233-F235 PolarHBondContact O-N 3.03Å; M233-F235 HydrophobicContact SD-CE1 4.21Å; M233-F235 HydrophobicContact SD-CZ 4Å
234	P	94.7	Very high	96.7	Very high	128 Å²	128	64.1 Å²	64.1	83%	0.831	35%	0.35	S	S	*	.	S	Bend	trans	-79.1	4.1	174.6	32	-33	0	0	0	113.5
235	F	94.8	Very high	96.8	Very high	24 Å²	24	62.1 Å²	62.1	11%	0.105	34%	0.343	C	S	.	.	S	Bend	trans	-139	161.9	177.9	57.1	-89.5	0	0	0	108.7	L203 I207 L208 F211 M233	L203-F235 VanDerWaalsContact O-CZ 3.31Å; L203-F235 WeakPolarHBondContact O-CZ 3.39Å; I207-F235 HydrophobicContact CB-CE2 4.3Å; I207-F235 HydrophobicContact CG2-CD2 4.14Å; I207-F235 HydrophobicContact CG2-CE2 3.87Å; L208-F235 HydrophobicContact CB-CE2 4.43Å; L208-F235 HydrophobicContact CB-CZ 3.91Å; L208-F235 HydrophobicContact CD1-CD1 4.3Å; L208-F235 HydrophobicContact CD1-CE1 3.72Å; L208-F235 HydrophobicContact CD1-CZ 3.97Å; L208-F235 HydrophobicContact CG-CZ 4.45Å; F211-F235 HydrophobicContact CD1-CB 4.32Å; F211-F235 HydrophobicContact CD1-CG 4.49Å; F211-F235 HydrophobicContact CE1-CB 4.19Å; F211-F235 HydrophobicContact CE2-CB 4.37Å; F211-F235 HydrophobicContact CG-CB 4.48Å; F211-F235 HydrophobicContact CZ-CB 4.21Å; M233-F235 HydrophobicContact CB-CE1 4.37Å; M233-F235 HydrophobicContact CB-CZ 4.38Å; M233-F235 WeakPolarHBondContact CB-O 3.34Å; M233-F235 HydrophobicContact CG-CZ 4.28Å; M233-F235 PolarHBondContact O-N 3.03Å; M233-F235 HydrophobicContact SD-CE1 4.21Å; M233-F235 HydrophobicContact SD-CZ 4Å
236	R	96.3	Very high	96.9	Very high	168 Å²	168	65.8 Å²	65.8	63%	0.634	36%	0.359	S	S	*	.			trans	-125.2	145.7	177.9	-73.3	-171.8	166.7	160.9	-5.6	110.8	I230 D231	I230-R236 HydrophobicContact CG2-CG 4.18Å; D231-R236 IonicContact OD1-CZ 3.95Å; D231-R236 IonicContact OD1-NH2 2.88Å; D231-R236 PolarHBondContact OD1-NH2 3.24Å
237	P	97.8	Very high	97	Very high	13 Å²	13	64.5 Å²	64.5	8%	0.084	35%	0.348	C	S	.	.			trans	-64.4	155.4	166.7	30.9	-35.2	0	0	0	110.3	L203 I207 T217 L219 I240	L203-P237 HydrophobicContact CD2-CG 4.48Å; I207-P237 HydrophobicContact CG2-CB 4.01Å; T217-P237 VanDerWaalsContact OG1-CA 3.24Å; T217-P237 WeakPolarHBondContact OG1-CA 3.32Å; L219-P237 HydrophobicContact CB-CB 3.81Å; L219-P237 HydrophobicContact CB-CG 3.85Å; L219-P237 HydrophobicContact CD2-CG 4.21Å; P237-I240 HydrophobicContact CG-CD1 4.17Å; P237-I240 HydrophobicContact CG-CG1 3.65Å
238	S	97.5	Very high	97	Very high	47 Å²	47	65.7 Å²	65.7	33%	0.329	36%	0.355	S	S	.	.	S	Bend	trans	-71.8	-39.4	179.1	-46.8	0	0	0	0	111.7	E216 T217	E216-S238 WeakPolarHBondContact OE2-CB 3.49Å; E216-S238 PolarHBondContact OE2-OG 3.47Å; T217-S238 PolarHBondContact N-OG 2.86Å; T217-S238 WeakPolarHBondContact O-CA 3.38Å; T217-S238 WeakPolarHBondContact O-CB 3.47Å; T217-S238 PolarHBondContact O-N 2.87Å; T217-S238 PolarHBondContact OG1-N 3.04Å; T217-S238 VanDerWaalsContact OG1-N 3.15Å; T217-S238 PolarHBondContact OG1-OG 3.09Å
239	W	98.4	Very high	97	Very high	81 Å²	81	61 Å²	61	31%	0.307	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.7	172.8	-55.8	-90.2	0	0	0	111.7	I3 V197 E216 T217 I218 L219 Y241 V249	I3-W239 HydrophobicContact CD1-CH2 4.37Å; I3-W239 HydrophobicContact CD1-CZ3 4.29Å; V197-W239 HydrophobicContact CG2-CZ3 4.37Å; E216-W239 HydrophobicContact CB-CH2 4.19Å; E216-W239 HydrophobicContact CB-CZ3 3.69Å; E216-W239 HydrophobicContact CG-CH2 4.17Å; E216-W239 HydrophobicContact CG-CZ3 4.19Å; T217-W239 PolarHBondContact O-N 2.92Å; T217-W239 VanDerWaalsContact O-N 3.07Å; I218-W239 HydrophobicContact CD1-CE3 4.36Å; I218-W239 HydrophobicContact CG1-CB 4.24Å; I218-W239 HydrophobicContact CG1-CD2 4.45Å; I218-W239 HydrophobicContact CG1-CE3 3.68Å; I218-W239 HydrophobicContact CG1-CZ3 4.45Å; L219-W239 PolarHBondContact N-O 2.7Å; W239-Y241 HydrophobicContact CB-CD2 4.25Å; W239-Y241 HydrophobicContact CB-CE2 3.58Å; W239-Y241 HydrophobicContact CG-CE2 4.31Å; W239-V249 HydrophobicContact CD2-CG2 4.25Å; W239-V249 HydrophobicContact CE3-CG2 4.46Å; W239-V249 HydrophobicContact CG-CG1 4.5Å; W239-V249 HydrophobicContact CG-CG2 4.44Å
240	I	98.4	Very high	96.8	Very high	71 Å²	71	60 Å²	60	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.6	-179.9	-54.5	154.7	0	0	0	108.3	L219 L221 L227 I230 P237	L219-I240 HydrophobicContact CB-CG1 4.43Å; L219-I240 HydrophobicContact CD2-CG2 4.45Å; L219-I240 CarbonylContact O-C 3.57Å; L219-I240 VanDerWaalsContact O-CA 3.3Å; L219-I240 WeakPolarHBondContact O-CA 3.36Å; L221-I240 HydrophobicContact CD1-CG2 4.09Å; L221-I240 HydrophobicContact CD2-CG2 4.12Å; L221-I240 HydrophobicContact CG-CG2 4.05Å; L227-I240 HydrophobicContact CD2-CG2 3.88Å; I230-I240 HydrophobicContact CD1-CD1 3.48Å; I230-I240 VanDerWaalsContact CD1-CD1 3.48Å; I230-I240 HydrophobicContact CD1-CG1 4.16Å; P237-I240 HydrophobicContact CG-CD1 4.17Å; P237-I240 HydrophobicContact CG-CG1 3.65Å
241	Y	98.7	Very high	96.9	Very high	27 Å²	27	62.3 Å²	62.3	11%	0.106	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.5	177.4	-66.7	-90.3	0	0	0	111.4	I218 L219 V220 L221 W239 S243 E246 I247 D248 V249	I218-Y241 HydrophobicContact CG2-CD2 3.74Å; I218-Y241 HydrophobicContact CG2-CE2 4.21Å; L219-Y241 PolarHBondContact O-N 3.32Å; V220-Y241 CarbonylContact C-O 3.45Å; V220-Y241 WeakPolarHBondContact CA-O 3.39Å; L221-Y241 PolarHBondContact N-O 3.38Å; W239-Y241 HydrophobicContact CB-CD2 4.25Å; W239-Y241 HydrophobicContact CB-CE2 3.58Å; W239-Y241 HydrophobicContact CG-CE2 4.31Å; Y241-S243 VanDerWaalsContact C-N 3.34Å; Y241-S243 PolarHBondContact O-N 3.09Å; Y241-E246 HydrophobicContact CD1-CB 4Å; Y241-E246 WeakPolarHBondContact CD1-O 2.8Å; Y241-E246 WeakPolarHBondContact CE1-O 3.21Å; Y241-I247 HydrophobicContact CD2-CG1 3.87Å; Y241-I247 HydrophobicContact CE2-CG1 4.36Å; Y241-I247 HydrophobicContact CG-CG1 3.98Å; Y241-D248 WeakPolarHBondContact CE1-OD1 3.24Å; Y241-D248 PolarHBondContact OH-OD1 2.64Å; Y241-V249 HydrophobicContact CE2-CG2 4.23Å; Y241-V249 WeakPolarHBondContact OH-CG1 3.24Å
242	P	98.3	Very high	97.1	Very high	76 Å²	76	59.1 Å²	59.1	49%	0.494	32%	0.321	S	S	.	.	S	Bend	trans	-57.4	-45.5	173.2	-24.6	35	0	0	0	112.6	L221 S222 E246	L221-P242 CarbonylContact C-O 3.58Å; L221-P242 PolarHBondContact N-O 3.12Å; S222-P242 PolarHBondContact N-O 2.96Å; S222-P242 VanDerWaalsContact N-O 3.09Å; P242-E246 HydrophobicContact CG-CG 4.34Å
243	S	98.5	Very high	97.2	Very high	14 Å²	14	58.4 Å²	58.4	10%	0.098	31%	0.312	C	S	.	.	S	Bend	trans	-152.7	-175.9	176.6	78.7	0	0	0	0	110.7	Y241 A245 E246	Y241-S243 VanDerWaalsContact C-N 3.34Å; Y241-S243 PolarHBondContact O-N 3.09Å; S243-A245 PolarHBondContact O-N 3.14Å; S243-A245 WeakPolarHBondContact OG-CB 3.5Å; S243-A245 PolarHBondContact OG-N 3.32Å; S243-A245 VanDerWaalsContact OG-N 3.14Å; S243-E246 WeakPolarHBondContact CA-OE2 3.08Å; S243-E246 WeakPolarHBondContact CB-OE2 3.31Å; S243-E246 PolarHBondContact N-OE2 2.6Å; S243-E246 PolarHBondContact OG-OE2 3.23Å
244	V	98.6	Very high	97.3	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-65	-22	172.8	-66.2	0	0	0	0	113.5	V13 L14 V21 A24 F27 V199 V220 E246 I247	V13-V244 HydrophobicContact CG1-CG1 3.53Å; L14-V244 HydrophobicContact CD2-CG1 4.24Å; L14-V244 HydrophobicContact CD2-CG2 4.44Å; V21-V244 HydrophobicContact CG1-CG2 4.36Å; A24-V244 HydrophobicContact CB-CG2 4.1Å; F27-V244 HydrophobicContact CB-CB 4.22Å; F27-V244 HydrophobicContact CB-CG2 4.36Å; F27-V244 HydrophobicContact CD1-CB 3.89Å; F27-V244 HydrophobicContact CD1-CG1 4.12Å; F27-V244 HydrophobicContact CD1-CG2 4.47Å; F27-V244 HydrophobicContact CD2-CB 4.27Å; F27-V244 HydrophobicContact CE1-CB 4.32Å; F27-V244 HydrophobicContact CE1-CG1 4.13Å; F27-V244 HydrophobicContact CG-CB 3.86Å; F27-V244 HydrophobicContact CG-CG2 4.46Å; V199-V244 HydrophobicContact CG1-CG1 4.29Å; V220-V244 HydrophobicContact CG1-CG1 4.2Å; V244-E246 PolarHBondContact O-N 2.86Å; V244-I247 HydrophobicContact CB-CD1 4.28Å; V244-I247 HydrophobicContact CG1-CD1 4.16Å; V244-I247 PolarHBondContact O-N 2.56Å
245	A	98.2	Very high	97.4	Very high	54 Å²	54	56.2 Å²	56.2	45%	0.446	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-65.2	-27.3	-178.9	0	0	0	0	0	113.3	S243	S243-A245 PolarHBondContact O-N 3.14Å; S243-A245 WeakPolarHBondContact OG-CB 3.5Å; S243-A245 PolarHBondContact OG-N 3.32Å; S243-A245 VanDerWaalsContact OG-N 3.14Å
246	E	98.5	Very high	97.6	Very high	89 Å²	89	58.3 Å²	58.3	42%	0.416	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-97.8	-1.7	-176	-63.2	79.7	-164.8	0	0	113.8	Y241 P242 S243 V244 D248	Y241-E246 HydrophobicContact CD1-CB 4Å; Y241-E246 WeakPolarHBondContact CD1-O 2.8Å; Y241-E246 WeakPolarHBondContact CE1-O 3.21Å; P242-E246 HydrophobicContact CG-CG 4.34Å; S243-E246 WeakPolarHBondContact CA-OE2 3.08Å; S243-E246 WeakPolarHBondContact CB-OE2 3.31Å; S243-E246 PolarHBondContact N-OE2 2.6Å; S243-E246 PolarHBondContact OG-OE2 3.23Å; V244-E246 PolarHBondContact O-N 2.86Å; E246-D248 PolarHBondContact O-N 2.99Å
247	I	98.3	Very high	97.7	Very high	23 Å²	23	50.5 Å²	50.5	12%	0.118	28%	0.28	C	S	.	.			trans	-67.6	118.8	-177.9	-63.3	175.1	0	0	0	109.9	F27 V199 I218 V220 Y241 V244 V249 I250	F27-I247 HydrophobicContact CD2-CB 4.43Å; F27-I247 HydrophobicContact CD2-CD1 4.45Å; F27-I247 HydrophobicContact CE2-CB 4.05Å; F27-I247 HydrophobicContact CE2-CD1 3.73Å; F27-I247 HydrophobicContact CE2-CG1 4.45Å; F27-I247 HydrophobicContact CE2-CG2 4.1Å; F27-I247 HydrophobicContact CZ-CD1 3.97Å; V199-I247 HydrophobicContact CG1-CD1 3.87Å; V199-I247 HydrophobicContact CG2-CD1 4.38Å; I218-I247 HydrophobicContact CD1-CG2 4.16Å; I218-I247 HydrophobicContact CG2-CD1 3.96Å; I218-I247 HydrophobicContact CG2-CG1 4.31Å; V220-I247 HydrophobicContact CG1-CD1 4.1Å; Y241-I247 HydrophobicContact CD2-CG1 3.87Å; Y241-I247 HydrophobicContact CE2-CG1 4.36Å; Y241-I247 HydrophobicContact CG-CG1 3.98Å; V244-I247 HydrophobicContact CB-CD1 4.28Å; V244-I247 HydrophobicContact CG1-CD1 4.16Å; V244-I247 PolarHBondContact O-N 2.56Å; I247-V249 HydrophobicContact CG2-CG2 4.04Å; I247-I250 HydrophobicContact CG2-CD1 4.03Å; I247-I250 HydrophobicContact CG2-CG1 3.98Å
248	D	96.3	Very high	97.7	Very high	124 Å²	124	53.4 Å²	53.4	66%	0.663	30%	0.295	S	S	*	.			trans	-119.2	4.9	-176.6	66.5	-14.3	0	0	0	114.3	Y241 E246	Y241-D248 WeakPolarHBondContact CE1-OD1 3.24Å; Y241-D248 PolarHBondContact OH-OD1 2.64Å; E246-D248 PolarHBondContact O-N 2.99Å
249	V	95.9	Very high	97.7	Very high	49 Å²	49	53.9 Å²	53.9	30%	0.297	29%	0.293	S	S	.	.			trans	-98.3	-10.1	-176.2	-70.7	0	0	0	0	115	I3 I218 W239 Y241 I247	I3-V249 HydrophobicContact CD1-CG2 4.48Å; I218-V249 HydrophobicContact CD1-CG2 3.76Å; W239-V249 HydrophobicContact CD2-CG2 4.25Å; W239-V249 HydrophobicContact CE3-CG2 4.46Å; W239-V249 HydrophobicContact CG-CG1 4.5Å; W239-V249 HydrophobicContact CG-CG2 4.44Å; Y241-V249 HydrophobicContact CE2-CG2 4.23Å; Y241-V249 WeakPolarHBondContact OH-CG1 3.24Å; I247-V249 HydrophobicContact CG2-CG2 4.04Å
250	I	94.3	Very high	97.6	Very high	37 Å²	37	51.5 Å²	51.5	19%	0.19	29%	0.291	C	S	.	.			trans	-100.7	0	178.5	-55.2	-180	0	0	0	109.2	I3 V6 F27 I31 K34 L36 V197 V199 I218 I247	I3-I250 HydrophobicContact CD1-CG1 4.11Å; I3-I250 HydrophobicContact CG2-CG1 4.49Å; I3-I250 HydrophobicContact CG2-CG2 4.47Å; V6-I250 HydrophobicContact CG1-CD1 4.19Å; V6-I250 HydrophobicContact CG2-CD1 4.09Å; V6-I250 HydrophobicContact CG2-CG2 3.76Å; F27-I250 HydrophobicContact CE2-CD1 4.06Å; F27-I250 HydrophobicContact CZ-CD1 4.07Å; I31-I250 HydrophobicContact CG1-CG2 4.07Å; K34-I250 PolarHBondContact NZ-O 3.17Å; K34-I250 PolarHBondContact NZ-OXT 2.71Å; L36-I250 HydrophobicContact CD1-CG2 3.86Å; V197-I250 HydrophobicContact CG1-CD1 3.86Å; V197-I250 HydrophobicContact CG1-CG1 4.28Å; V199-I250 HydrophobicContact CG2-CD1 4.23Å; I218-I250 HydrophobicContact CD1-CD1 3.92Å; I218-I250 HydrophobicContact CD1-CG1 4.12Å; I247-I250 HydrophobicContact CG2-CD1 4.03Å; I247-I250 HydrophobicContact CG2-CG1 3.98Å

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