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S-formylglutathione hydrolase

Serine hydrolase involved in the detoxification of formaldehyde.

AlphaFold DB , UniProt , Accession X6RA14, Species HUMAN (Homo sapiens, Human), Gene ESD, Length 253 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	92.2	Very high	97.9	Very high	92 Å²	92	60.8 Å²	60.8	45%	0.453	31%	0.305	S	S	.	.				0	153	0	-65.1	-174.9	-78.7	0	0	108.8	D53 S55 M91 Y94	M1-D53 HydrophobicContact CB-CB 4.29Å; M1-S55 WeakPolarHBondContact CG-O 3.43Å; M1-M91 HydrophobicContact CE-SD 4.26Å; M1-M91 HydrophobicContact SD-CE 4.05Å; M1-M91 HydrophobicContact SD-SD 3.56Å; M1-Y94 HydrophobicContact CE-CD1 4.18Å; M1-Y94 HydrophobicContact CE-CD2 3.93Å; M1-Y94 HydrophobicContact CE-CE1 4.28Å; M1-Y94 HydrophobicContact CE-CE2 4.05Å; M1-Y94 HydrophobicContact CE-CG 4Å; M1-Y94 HydrophobicContact SD-CE1 4.41Å
2	K	98.4	Very high	97.8	Very high	142 Å²	142	70.3 Å²	70.3	62%	0.617	35%	0.347	S	S	*	.			trans	-113.2	165.2	171.2	-67.2	-179.2	-179.2	178.8	0	109.6	E29 D53	K2-E29 HydrophobicContact CB-CG 4.27Å; K2-D53 VanDerWaalsContact O-CB 3.27Å; K2-D53 WeakPolarHBondContact O-CB 3.19Å; K2-D53 PolarHBondContact O-N 2.83Å
3	F	98.8	Very high	97.6	Very high	66 Å²	66	74.7 Å²	74.7	29%	0.289	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.6	169.6	62.4	-89.7	0	0	0	108.6	V5 A51 P52 L99 L102 I103 F107	F3-V5 HydrophobicContact CD2-CG2 3.66Å; F3-V5 HydrophobicContact CE2-CG2 3.61Å; F3-A51 WeakPolarHBondContact CA-O 3.34Å; F3-P52 HydrophobicContact CB-CB 4.39Å; F3-L99 HydrophobicContact CB-CD1 4.43Å; F3-L99 HydrophobicContact CD1-CD1 4Å; F3-L99 HydrophobicContact CD2-CD1 4.24Å; F3-L99 HydrophobicContact CE1-CD1 4.31Å; F3-L99 HydrophobicContact CG-CD1 3.97Å; F3-L102 HydrophobicContact CE1-CD2 3.67Å; F3-L102 HydrophobicContact CZ-CD2 3.76Å; F3-I103 HydrophobicContact CD2-CD1 4.3Å; F3-I103 HydrophobicContact CE2-CD1 3.9Å; F3-F107 HydrophobicContact CE2-CE2 4.24Å; F3-F107 HydrophobicContact CE2-CZ 4.48Å
4	A	98.9	Very high	97.4	Very high	15 Å²	15	71.8 Å²	71.8	12%	0.124	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	145.8	174	0	0	0	0	0	110.3	E29 I33 I50 A51	A4-E29 HydrophobicContact CB-CB 4.33Å; A4-E29 HydrophobicContact CB-CG 4.26Å; A4-I33 HydrophobicContact CB-CD1 3.86Å; A4-I33 HydrophobicContact CB-CG2 3.73Å; A4-I50 WeakPolarHBondContact O-CA 3.49Å; A4-A51 HydrophobicContact CB-CB 4.43Å; A4-A51 PolarHBondContact N-O 2.76Å; A4-A51 PolarHBondContact O-N 2.83Å
5	V	98.9	Very high	97.4	Very high	40 Å²	40	76 Å²	76	24%	0.242	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.5	173.9	-176.4	0	0	0	0	108.5	F3 L7 V48 V49 I50 I103 F107	F3-V5 HydrophobicContact CD2-CG2 3.66Å; F3-V5 HydrophobicContact CE2-CG2 3.61Å; V5-L7 HydrophobicContact CG1-CD2 3.83Å; V5-L7 HydrophobicContact CG1-CG 4.33Å; V5-V48 HydrophobicContact CG1-CG1 3.89Å; V5-V49 WeakPolarHBondContact CA-O 3.39Å; V5-I50 HydrophobicContact CG2-CG1 4.49Å; V5-I103 HydrophobicContact CG2-CD1 3.76Å; V5-F107 HydrophobicContact CB-CE1 4.22Å; V5-F107 HydrophobicContact CB-CZ 4.26Å; V5-F107 HydrophobicContact CG1-CD1 4.06Å; V5-F107 HydrophobicContact CG1-CE1 4.06Å; V5-F107 HydrophobicContact CG1-CG 4.41Å; V5-F107 HydrophobicContact CG1-CZ 4.43Å; V5-F107 HydrophobicContact CG2-CE1 4.3Å; V5-F107 HydrophobicContact CG2-CE2 4.04Å; V5-F107 HydrophobicContact CG2-CZ 3.86Å
6	Y	98.9	Very high	97.5	Very high	48 Å²	48	71.3 Å²	71.3	19%	0.188	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.6	167.3	169.8	-97	0	0	0	110.4	P8 Y38 H39 A42 S43 V48 V49	Y6-P8 HydrophobicContact CE1-CB 4.06Å; Y6-Y38 WeakPolarHBondContact CB-OH 3.5Å; Y6-Y38 HydrophobicContact CD1-CE2 4.06Å; Y6-Y38 HydrophobicContact CG-CE2 4.08Å; Y6-H39 AromaticContact CD2-CD2 3.78Å; Y6-H39 HydrophobicContact CE2-CB 4.45Å; Y6-A42 HydrophobicContact CD1-CB 4.09Å; Y6-A42 HydrophobicContact CE1-CB 3.86Å; Y6-S43 VanDerWaalsContact OH-CB 3.23Å; Y6-S43 WeakPolarHBondContact OH-CB 3.38Å; Y6-V48 WeakPolarHBondContact O-CA 3.26Å; Y6-V49 PolarHBondContact N-O 3.47Å; Y6-V49 PolarHBondContact O-N 3.17Å
7	L	98.8	Very high	97.6	Very high	78 Å²	78	67.1 Å²	67.1	41%	0.408	35%	0.346	S	S	.	.			trans	-106.4	115.6	177.5	-59.9	179.4	0	0	0	108.6	V5 A11 V48 F107 P108	V5-L7 HydrophobicContact CG1-CD2 3.83Å; V5-L7 HydrophobicContact CG1-CG 4.33Å; L7-A11 HydrophobicContact CB-CB 4.11Å; L7-A11 HydrophobicContact CD2-CB 4.47Å; L7-V48 HydrophobicContact CD2-CG1 4.15Å; L7-V48 HydrophobicContact CD2-CG2 3.97Å; L7-F107 HydrophobicContact CD1-CD1 4.29Å; L7-F107 HydrophobicContact CD2-CD1 4.02Å; L7-P108 HydrophobicContact CD2-CG 4.46Å
8	P	98.6	Very high	97.6	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.013	33%	0.328	C	S	.	.			trans	-72	163.3	175.2	33	-38.1	0	0	0	110.5	Y6 K10 A11 L47	Y6-P8 HydrophobicContact CE1-CB 4.06Å; P8-K10 PolarHBondContact O-N 3.42Å; P8-A11 HydrophobicContact CG-CB 4.31Å; P8-A11 WeakPolarHBondContact O-CB 3.36Å; P8-A11 PolarHBondContact O-N 2.99Å; P8-L47 WeakPolarHBondContact CD-O 3.25Å; P8-L47 WeakPolarHBondContact CG-O 3.44Å
9	P	98.6	Very high	97.7	Very high	72 Å²	72	60.1 Å²	60.1	47%	0.468	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-52.9	-32.8	177.2	-27.9	35.3	0	0	0	113.9	A11 E12 S43	P9-A11 PolarHBondContact O-N 3.27Å; P9-E12 WeakPolarHBondContact O-CB 3.32Å; P9-E12 PolarHBondContact O-N 3.21Å; P9-E12 VanDerWaalsContact O-N 3.11Å; P9-S43 WeakPolarHBondContact CD-OG 3.34Å
10	K	97.6	Very high	97.8	Very high	100 Å²	100	57.2 Å²	57.2	44%	0.435	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-58.9	-27.9	176.1	-169.7	177.7	180	176.5	0	113.3	P8 E12 T13 G14	P8-K10 PolarHBondContact O-N 3.42Å; K10-E12 PolarHBondContact O-N 3.29Å; K10-T13 PolarHBondContact O-N 3.4Å; K10-T13 PolarHBondContact O-OG1 3.07Å; K10-G14 PolarHBondContact O-N 2.76Å
11	A	97.5	Very high	97.8	Very high	14 Å²	14	54.4 Å²	54.4	12%	0.116	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-67.4	-16.6	178.8	0	0	0	0	0	113.5	L7 P8 P9 T13 P108	L7-A11 HydrophobicContact CB-CB 4.11Å; L7-A11 HydrophobicContact CD2-CB 4.47Å; P8-A11 HydrophobicContact CG-CB 4.31Å; P8-A11 WeakPolarHBondContact O-CB 3.36Å; P8-A11 PolarHBondContact O-N 2.99Å; P9-A11 PolarHBondContact O-N 3.27Å; A11-T13 VanDerWaalsContact C-N 3.31Å; A11-P108 HydrophobicContact CB-CG 3.74Å
12	E	96.4	Very high	98.1	Very high	174 Å²	174	50 Å²	50	81%	0.813	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-72.8	-25	174.8	-62.4	-179.6	-179.9	0	0	112.6	P9 K10	P9-E12 WeakPolarHBondContact O-CB 3.32Å; P9-E12 PolarHBondContact O-N 3.21Å; P9-E12 VanDerWaalsContact O-N 3.11Å; K10-E12 PolarHBondContact O-N 3.29Å
13	T	95	Very high	98.2	Very high	128 Å²	128	43.3 Å²	43.3	79%	0.785	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-12	-172.6	56.6	0	0	0	0	113.7	K10 A11	K10-T13 PolarHBondContact O-N 3.4Å; K10-T13 PolarHBondContact O-OG1 3.07Å; A11-T13 VanDerWaalsContact C-N 3.31Å
14	G	95.3	Very high	98.2	Very high	34 Å²	34	40.2 Å²	40.2	35%	0.351	22%	0.217	S	C	.	.	S	Bend	trans	-177.8	177.5	177.9	0	0	0	0	0	114.7	K10	K10-G14 PolarHBondContact O-N 2.76Å
15	K	97.8	Very high	98.1	Very high	135 Å²	135	40.2 Å²	40.2	59%	0.587	22%	0.215	S	C	*	.			trans	-70.5	134.1	178.4	-68.2	-177.2	174.9	-169.3	0	111.5	P108 V109 D110	K15-P108 CarbonylContact C-O 3.52Å; K15-P108 VanDerWaalsContact CA-O 3.29Å; K15-P108 WeakPolarHBondContact CA-O 3.47Å; K15-V109 WeakPolarHBondContact CD-O 3.44Å; K15-D110 HydrophobicContact CB-CB 4.41Å
16	C	98.6	Very high	98.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	154.2	179.1	-66.6	0	0	0	0	111.3	G46 V48 P108 V109 D110	C16-G46 WeakPolarHBondContact CB-O 3.29Å; C16-V48 HydrophobicContact CB-CG2 3.78Å; C16-P108 PolarHBondContact N-O 3.03Å; C16-V109 CarbonylContact O-C 3.58Å; C16-V109 VanDerWaalsContact O-CA 3.28Å; C16-V109 WeakPolarHBondContact O-CA 3.29Å; C16-D110 PolarHBondContact O-N 3.32Å
17	P	98.6	Very high	98.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	152.3	166.7	-19.7	31	0	0	0	112.4	L47 V48 R113 L251	P17-L47 HydrophobicContact CB-CD2 4.02Å; P17-L47 HydrophobicContact CG-CD2 4.03Å; P17-V48 PolarHBondContact O-N 3.03Å; P17-R113 WeakPolarHBondContact CA-O 3.44Å; P17-R113 HydrophobicContact CB-CB 4.07Å; P17-R113 HydrophobicContact CG-CB 4.42Å; P17-R113 VanDerWaalsContact CG-NH1 3.26Å; P17-L251 HydrophobicContact CB-CB 3.71Å; P17-L251 HydrophobicContact CB-CD1 3.95Å; P17-L251 HydrophobicContact CB-CD2 4Å; P17-L251 HydrophobicContact CB-CG 4.1Å; P17-L251 HydrophobicContact CG-CB 3.92Å
18	A	98.8	Very high	98.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.7	173.5	0	0	0	0	0	112.3	Y20 V48 I50 V109 R113 M114 S115	A18-Y20 HydrophobicContact CB-CD2 4.37Å; A18-Y20 HydrophobicContact CB-CE2 3.72Å; A18-V48 CarbonylContact C-O 3.58Å; A18-V48 WeakPolarHBondContact CA-O 3.47Å; A18-I50 HydrophobicContact CB-CD1 3.67Å; A18-V109 HydrophobicContact CB-CG1 3.54Å; A18-V109 HydrophobicContact CB-CG2 4.4Å; A18-R113 PolarHBondContact N-O 3.19Å; A18-M114 CarbonylContact O-C 3.56Å; A18-M114 VanDerWaalsContact O-CA 3.28Å; A18-M114 WeakPolarHBondContact O-CA 3.28Å; A18-S115 PolarHBondContact O-N 3.26Å
19	L	98.9	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.3	172.4	-180	60.2	0	0	0	109.5	L47 V48 V49 I50 F117 I244 H247	L19-L47 HydrophobicContact CD2-CD1 4.27Å; L19-V48 PolarHBondContact N-O 3.02Å; L19-V49 VanDerWaalsContact O-CA 3.32Å; L19-V49 WeakPolarHBondContact O-CA 3.4Å; L19-I50 PolarHBondContact O-N 3.06Å; L19-F117 HydrophobicContact CD1-CD1 3.73Å; L19-F117 HydrophobicContact CD1-CE1 4.07Å; L19-F117 HydrophobicContact CD2-CD1 4.2Å; L19-F117 HydrophobicContact CD2-CE1 3.76Å; L19-F117 HydrophobicContact CD2-CZ 4.17Å; L19-F117 HydrophobicContact CG-CD1 3.84Å; L19-F117 HydrophobicContact CG-CE1 3.63Å; L19-I244 HydrophobicContact CD2-CD1 3.49Å; L19-I244 VanDerWaalsContact CD2-CD1 3.49Å; L19-H247 HydrophobicContact CD1-CB 3.96Å; L19-H247 HydrophobicContact CD2-CB 4.06Å
20	Y	98.9	Very high	98.1	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.9	-178.4	-73	-101.5	0	0	0	110.3	A18 I50 L99 P100 I103 M114 S115 I116 F117	A18-Y20 HydrophobicContact CB-CD2 4.37Å; A18-Y20 HydrophobicContact CB-CE2 3.72Å; Y20-I50 CarbonylContact C-O 3.5Å; Y20-I50 WeakPolarHBondContact CA-O 3.47Å; Y20-I50 HydrophobicContact CD1-CB 3.83Å; Y20-I50 HydrophobicContact CD1-CG2 3.99Å; Y20-I50 HydrophobicContact CD2-CD1 4.28Å; Y20-I50 HydrophobicContact CE1-CB 3.84Å; Y20-I50 HydrophobicContact CE1-CD1 4.27Å; Y20-I50 HydrophobicContact CE1-CG1 4.15Å; Y20-I50 HydrophobicContact CE1-CG2 3.82Å; Y20-I50 HydrophobicContact CE2-CD1 3.91Å; Y20-I50 HydrophobicContact CG-CB 4.37Å; Y20-L99 HydrophobicContact CD1-CD2 4.34Å; Y20-L99 HydrophobicContact CE1-CD2 4.06Å; Y20-L99 HydrophobicContact CE1-CG 4.17Å; Y20-P100 HydrophobicContact CE1-CG 4.35Å; Y20-P100 WeakPolarHBondContact OH-CA 3.34Å; Y20-I103 HydrophobicContact CE1-CG1 4.43Å; Y20-I103 WeakPolarHBondContact OH-CB 3.43Å; Y20-M114 HydrophobicContact CD2-CG 3.59Å; Y20-M114 HydrophobicContact CD2-SD 3.6Å; Y20-M114 HydrophobicContact CE2-CG 3.53Å; Y20-M114 HydrophobicContact CE2-SD 3.15Å; Y20-M114 WeakPolarHBondContact CE2-SD 3.5Å; Y20-S115 PolarHBondContact N-O 3.14Å; Y20-I116 CarbonylContact O-C 3.53Å; Y20-I116 WeakPolarHBondContact O-CA 3.43Å; Y20-F117 VanDerWaalsContact O-CD1 3.29Å; Y20-F117 WeakPolarHBondContact O-CD1 3.16Å; Y20-F117 PolarHBondContact O-N 3.11Å; Y20-F117 VanDerWaalsContact O-O 3.06Å
21	W	98.9	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.8	169.7	170.3	-93.8	0	0	0	110.3	S23 F32 I50 A51 P52 F117 H119 F143 Y233 I236	W21-S23 PolarHBondContact NE1-OG 3.31Å; W21-F32 HydrophobicContact CB-CD1 4.11Å; W21-F32 HydrophobicContact CB-CE1 3.97Å; W21-F32 HydrophobicContact CB-CE2 4.42Å; W21-F32 HydrophobicContact CB-CG 4.4Å; W21-F32 HydrophobicContact CB-CZ 4.13Å; W21-F32 AromaticContact CD1-CD1 3.77Å; W21-F32 AromaticContact CD1-CD2 3.74Å; W21-F32 AromaticContact CD1-CG 3.38Å; W21-F32 HydrophobicContact CD2-CD1 4.42Å; W21-F32 AromaticContact CD2-CD2 3.37Å; W21-F32 HydrophobicContact CD2-CD2 3.37Å; W21-F32 AromaticContact CD2-CE2 3.51Å; W21-F32 HydrophobicContact CD2-CE2 3.51Å; W21-F32 AromaticContact CD2-CG 3.86Å; W21-F32 HydrophobicContact CD2-CG 3.86Å; W21-F32 HydrophobicContact CD2-CZ 4.12Å; W21-F32 AromaticContact CE2-CD2 3.22Å; W21-F32 AromaticContact CE2-CE2 3.85Å; W21-F32 AromaticContact CE2-CG 3.69Å; W21-F32 AromaticContact CE3-CD2 3.97Å; W21-F32 HydrophobicContact CE3-CD2 3.97Å; W21-F32 AromaticContact CE3-CE2 3.69Å; W21-F32 HydrophobicContact CE3-CE2 3.69Å; W21-F32 HydrophobicContact CE3-CZ 4.34Å; W21-F32 HydrophobicContact CG-CB 4.24Å; W21-F32 AromaticContact CG-CD1 3.82Å; W21-F32 HydrophobicContact CG-CD1 3.82Å; W21-F32 AromaticContact CG-CD2 3.65Å; W21-F32 HydrophobicContact CG-CD2 3.65Å; W21-F32 HydrophobicContact CG-CE1 4.03Å; W21-F32 AromaticContact CG-CE2 3.86Å; W21-F32 HydrophobicContact CG-CE2 3.86Å; W21-F32 AromaticContact CG-CG 3.62Å; W21-F32 HydrophobicContact CG-CG 3.62Å; W21-F32 HydrophobicContact CG-CZ 4.05Å; W21-F32 HydrophobicContact CH2-CD2 4.1Å; W21-F32 HydrophobicContact CH2-CE2 4.27Å; W21-F32 AromaticContact CZ2-CD2 3.6Å; W21-F32 HydrophobicContact CZ2-CD2 3.6Å; W21-F32 HydrophobicContact CZ2-CE2 4.2Å; W21-F32 HydrophobicContact CZ2-CG 4.4Å; W21-F32 HydrophobicContact CZ3-CD2 4.29Å; W21-F32 HydrophobicContact CZ3-CE2 4.05Å; W21-F32 VanDerWaalsContact NE1-CB 3.3Å; W21-F32 AromaticContact NE1-CD2 3.52Å; W21-F32 AromaticContact NE1-CG 3.44Å; W21-I50 PolarHBondContact N-O 3.29Å; W21-A51 HydrophobicContact CB-CB 4.43Å; W21-P52 WeakPolarHBondContact O-CD 3.47Å; W21-F117 CarbonylContact C-O 3.56Å; W21-F117 VanDerWaalsContact CA-O 3.31Å; W21-F117 WeakPolarHBondContact CA-O 3.17Å; W21-F117 HydrophobicContact CB-CD1 4.24Å; W21-F117 HydrophobicContact CB-CE1 3.65Å; W21-F117 HydrophobicContact CB-CZ 4.2Å; W21-F117 HydrophobicContact CD2-CE1 4.36Å; W21-F117 HydrophobicContact CD2-CZ 4.23Å; W21-F117 AromaticContact CE3-CD1 3.93Å; W21-F117 HydrophobicContact CE3-CD1 3.93Å; W21-F117 AromaticContact CE3-CD2 3.55Å; W21-F117 HydrophobicContact CE3-CD2 3.55Å; W21-F117 AromaticContact CE3-CE1 3.67Å; W21-F117 HydrophobicContact CE3-CE1 3.67Å; W21-F117 AromaticContact CE3-CE2 3.29Å; W21-F117 HydrophobicContact CE3-CE2 3.29Å; W21-F117 AromaticContact CE3-CG 3.86Å; W21-F117 HydrophobicContact CE3-CG 3.86Å; W21-F117 AromaticContact CE3-CZ 3.35Å; W21-F117 HydrophobicContact CE3-CZ 3.35Å; W21-F117 HydrophobicContact CG-CE1 4.41Å; W21-F117 AromaticContact CZ3-CD2 3.66Å; W21-F117 HydrophobicContact CZ3-CD2 3.66Å; W21-F117 AromaticContact CZ3-CE2 3.48Å; W21-F117 HydrophobicContact CZ3-CE2 3.48Å; W21-F117 VanDerWaalsContact CZ3-CE2 3.48Å; W21-F117 HydrophobicContact CZ3-CG 4.33Å; W21-F117 HydrophobicContact CZ3-CZ 4.02Å; W21-H119 HydrophobicContact CH2-CB 3.55Å; W21-H119 HydrophobicContact CZ2-CB 3.48Å; W21-H119 VanDerWaalsContact CZ2-CB 3.48Å; W21-F143 HydrophobicContact CH2-CD2 4.01Å; W21-F143 AromaticContact CZ3-CD2 3.79Å; W21-F143 HydrophobicContact CZ3-CD2 3.79Å; W21-F143 HydrophobicContact CZ3-CE2 4.08Å; W21-Y233 HydrophobicContact CZ2-CE1 4.39Å; W21-I236 HydrophobicContact CH2-CD1 4.19Å; W21-I236 HydrophobicContact CH2-CG2 3.8Å; W21-I236 HydrophobicContact CZ2-CD1 4.29Å
22	L	98.9	Very high	98.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.2	171.7	-60.5	-169.5	0	0	0	110.4	P52 Y77 V95 I116 F117 G118 H119 G122	L22-P52 HydrophobicContact CD2-CG 3.75Å; L22-Y77 HydrophobicContact CB-CE1 4.08Å; L22-Y77 HydrophobicContact CB-CE2 4.32Å; L22-Y77 HydrophobicContact CD1-CD1 3.88Å; L22-Y77 HydrophobicContact CD1-CE1 3.83Å; L22-Y77 HydrophobicContact CD1-CG 4.25Å; L22-Y77 HydrophobicContact CD2-CD1 4.48Å; L22-Y77 HydrophobicContact CD2-CE1 3.84Å; L22-Y77 HydrophobicContact CG-CE1 4.13Å; L22-V95 HydrophobicContact CD2-CB 4.46Å; L22-V95 HydrophobicContact CD2-CG1 4.03Å; L22-I116 HydrophobicContact CD1-CD1 3.85Å; L22-I116 HydrophobicContact CD1-CG1 4.35Å; L22-I116 HydrophobicContact CG-CD1 4.12Å; L22-I116 HydrophobicContact CG-CG1 4.26Å; L22-F117 PolarHBondContact N-O 3.11Å; L22-G118 CarbonylContact O-C 3.58Å; L22-G118 WeakPolarHBondContact O-CA 3.5Å; L22-H119 PolarHBondContact O-N 2.74Å; L22-G122 WeakPolarHBondContact CB-O 3.19Å; L22-G122 WeakPolarHBondContact O-CA 3.4Å
23	S	98.9	Very high	98.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.			trans	-85.1	159.4	-178.9	-70.9	0	0	0	0	113.1	W21 Y77 G122	W21-S23 PolarHBondContact NE1-OG 3.31Å; S23-Y77 PolarHBondContact N-OH 3.34Å; S23-Y77 VanDerWaalsContact N-OH 3.14Å; S23-Y77 PolarHBondContact O-OH 3.07Å; S23-G122 WeakPolarHBondContact O-CA 3.28Å; S23-G122 PolarHBondContact O-N 3.03Å
24	G	98.6	Very high	98.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	16%	0.161	C	C	.	.			trans	-82	-173.6	178.5	0	0	0	0	0	114.3	C27 T54 H119	G24-C27 WeakPolarHBondContact O-CB 3.35Å; G24-C27 PolarHBondContact O-N 2.96Å; G24-T54 WeakPolarHBondContact O-CG2 3.45Å; G24-H119 VanDerWaalsContact CA-O 3.3Å; G24-H119 WeakPolarHBondContact CA-O 3.31Å; G24-H119 PolarHBondContact N-O 2.79Å
25	L	98.6	Very high	98.7	Very high	16 Å²	16	31.4 Å²	31.4	8%	0.084	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	146.3	175.8	-69.8	170.2	0	0	0	111.6	C27 W68 G73 A74 F76 M121 W154	L25-C27 PolarHBondContact O-N 2.86Å; L25-W68 HydrophobicContact CB-CE3 4.45Å; L25-W68 HydrophobicContact CB-CZ3 4.34Å; L25-W68 HydrophobicContact CD1-CE3 4.28Å; L25-W68 HydrophobicContact CD1-CZ3 3.65Å; L25-G73 CarbonylContact C-O 3.46Å; L25-G73 WeakPolarHBondContact CA-O 3.3Å; L25-A74 HydrophobicContact CD2-CB 3.43Å; L25-A74 VanDerWaalsContact CD2-CB 3.43Å; L25-F76 HydrophobicContact CD2-CE2 3.81Å; L25-F76 HydrophobicContact CD2-CZ 4.34Å; L25-M121 HydrophobicContact CD2-SD 3.61Å; L25-M121 HydrophobicContact CG-CB 4.2Å; L25-M121 HydrophobicContact CG-SD 4.23Å; L25-W154 HydrophobicContact CD1-CD2 4.05Å; L25-W154 HydrophobicContact CD1-CE3 4.04Å; L25-W154 HydrophobicContact CD1-CH2 4.46Å; L25-W154 HydrophobicContact CD1-CZ3 4.23Å
26	T	98.3	Very high	98.7	Very high	86 Å²	86	25 Å²	25	53%	0.528	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	-11	178	75.1	0	0	0	0	116.5	W68 G73	T26-W68 HydrophobicContact CG2-CB 4.02Å; T26-W68 HydrophobicContact CG2-CE3 4.06Å; T26-G73 PolarHBondContact N-O 2.96Å
27	C	98.7	Very high	98.8	Very high	7 Å²	7	27.2 Å²	27.2	5%	0.047	16%	0.16	C	C	.	.			trans	-73.1	157.7	-179.8	-69	0	0	0	0	111.8	G24 L25 N31 T54 R57	G24-C27 WeakPolarHBondContact O-CB 3.35Å; G24-C27 PolarHBondContact O-N 2.96Å; L25-C27 PolarHBondContact O-N 2.86Å; C27-N31 HydrophobicContact CB-CB 4.09Å; C27-T54 HydrophobicContact CB-CG2 4.12Å; C27-T54 WeakPolarHBondContact O-CG2 3.42Å; C27-T54 PolarHBondContact O-OG1 3.26Å; C27-R57 PolarHBondContact O-NH2 3.33Å
28	T	98.8	Very high	98.8	Very high	42 Å²	42	27.5 Å²	27.5	26%	0.258	16%	0.161	S	C	.	.			trans	-111.8	-167.4	160.6	71	0	0	0	0	109.7	Q30 N31 D53	T28-Q30 PolarHBondContact O-N 3.43Å; T28-Q30 WeakPolarHBondContact OG1-CB 3.38Å; T28-Q30 PolarHBondContact OG1-N 3.17Å; T28-Q30 VanDerWaalsContact OG1-N 3.14Å; T28-N31 PolarHBondContact N-OD1 3.19Å; T28-D53 WeakPolarHBondContact CA-OD1 3.49Å
29	E	98.6	Very high	98.8	Very high	18 Å²	18	31 Å²	31	8%	0.084	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.2	170.2	81.7	-69	174.8	0	0	113.1	K2 A4 A51	K2-E29 HydrophobicContact CB-CG 4.27Å; A4-E29 HydrophobicContact CB-CB 4.33Å; A4-E29 HydrophobicContact CB-CG 4.26Å; E29-A51 WeakPolarHBondContact CB-O 3.47Å
30	Q	98.8	Very high	98.8	Very high	95 Å²	95	37.4 Å²	37.4	44%	0.444	21%	0.207	S	C	.	.	H	α-helix	trans	-79.9	-34.8	-172.7	-64.4	-61.9	-40.8	0	0	113.9	T28 F32 I33 S34	T28-Q30 PolarHBondContact O-N 3.43Å; T28-Q30 WeakPolarHBondContact OG1-CB 3.38Å; T28-Q30 PolarHBondContact OG1-N 3.17Å; T28-Q30 VanDerWaalsContact OG1-N 3.14Å; Q30-F32 PolarHBondContact O-N 3.34Å; Q30-I33 VanDerWaalsContact O-CG1 3.3Å; Q30-I33 WeakPolarHBondContact O-CG1 3.08Å; Q30-I33 PolarHBondContact O-N 2.95Å; Q30-S34 WeakPolarHBondContact O-CB 3.25Å; Q30-S34 PolarHBondContact O-N 2.86Å; Q30-S34 PolarHBondContact O-OG 3.18Å
31	N	98.8	Very high	98.8	Very high	36 Å²	36	37.3 Å²	37.3	19%	0.193	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-46	-168.3	-64.1	62.2	0	0	0	111.9	C27 T28 K35 Y233	C27-N31 HydrophobicContact CB-CB 4.09Å; T28-N31 PolarHBondContact N-OD1 3.19Å; N31-K35 VanDerWaalsContact O-CB 3.29Å; N31-K35 WeakPolarHBondContact O-CB 3.42Å; N31-K35 VanDerWaalsContact O-CE 3.29Å; N31-K35 WeakPolarHBondContact O-CE 3.48Å; N31-K35 WeakPolarHBondContact O-CG 3.42Å; N31-K35 PolarHBondContact O-N 2.87Å; N31-Y233 HydrophobicContact CB-CE2 3.88Å
32	F	98.9	Very high	98.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68	-50.7	179.6	172.5	-103	0	0	0	111.8	W21 Q30 S34 K35 S36 Y38 V49 A51 F117 Y233 I240	W21-F32 HydrophobicContact CB-CD1 4.11Å; W21-F32 HydrophobicContact CB-CE1 3.97Å; W21-F32 HydrophobicContact CB-CE2 4.42Å; W21-F32 HydrophobicContact CB-CG 4.4Å; W21-F32 HydrophobicContact CB-CZ 4.13Å; W21-F32 AromaticContact CD1-CD1 3.77Å; W21-F32 AromaticContact CD1-CD2 3.74Å; W21-F32 AromaticContact CD1-CG 3.38Å; W21-F32 HydrophobicContact CD2-CD1 4.42Å; W21-F32 AromaticContact CD2-CD2 3.37Å; W21-F32 HydrophobicContact CD2-CD2 3.37Å; W21-F32 AromaticContact CD2-CE2 3.51Å; W21-F32 HydrophobicContact CD2-CE2 3.51Å; W21-F32 AromaticContact CD2-CG 3.86Å; W21-F32 HydrophobicContact CD2-CG 3.86Å; W21-F32 HydrophobicContact CD2-CZ 4.12Å; W21-F32 AromaticContact CE2-CD2 3.22Å; W21-F32 AromaticContact CE2-CE2 3.85Å; W21-F32 AromaticContact CE2-CG 3.69Å; W21-F32 AromaticContact CE3-CD2 3.97Å; W21-F32 HydrophobicContact CE3-CD2 3.97Å; W21-F32 AromaticContact CE3-CE2 3.69Å; W21-F32 HydrophobicContact CE3-CE2 3.69Å; W21-F32 HydrophobicContact CE3-CZ 4.34Å; W21-F32 HydrophobicContact CG-CB 4.24Å; W21-F32 AromaticContact CG-CD1 3.82Å; W21-F32 HydrophobicContact CG-CD1 3.82Å; W21-F32 AromaticContact CG-CD2 3.65Å; W21-F32 HydrophobicContact CG-CD2 3.65Å; W21-F32 HydrophobicContact CG-CE1 4.03Å; W21-F32 AromaticContact CG-CE2 3.86Å; W21-F32 HydrophobicContact CG-CE2 3.86Å; W21-F32 AromaticContact CG-CG 3.62Å; W21-F32 HydrophobicContact CG-CG 3.62Å; W21-F32 HydrophobicContact CG-CZ 4.05Å; W21-F32 HydrophobicContact CH2-CD2 4.1Å; W21-F32 HydrophobicContact CH2-CE2 4.27Å; W21-F32 AromaticContact CZ2-CD2 3.6Å; W21-F32 HydrophobicContact CZ2-CD2 3.6Å; W21-F32 HydrophobicContact CZ2-CE2 4.2Å; W21-F32 HydrophobicContact CZ2-CG 4.4Å; W21-F32 HydrophobicContact CZ3-CD2 4.29Å; W21-F32 HydrophobicContact CZ3-CE2 4.05Å; W21-F32 VanDerWaalsContact NE1-CB 3.3Å; W21-F32 AromaticContact NE1-CD2 3.52Å; W21-F32 AromaticContact NE1-CG 3.44Å; Q30-F32 PolarHBondContact O-N 3.34Å; F32-S34 PolarHBondContact O-N 2.85Å; F32-K35 PolarHBondContact O-N 3.03Å; F32-S36 VanDerWaalsContact CD2-CB 3.49Å; F32-S36 WeakPolarHBondContact CD2-OG 3.23Å; F32-S36 WeakPolarHBondContact CE2-OG 3.33Å; F32-S36 WeakPolarHBondContact O-CB 3.42Å; F32-S36 PolarHBondContact O-N 3.48Å; F32-S36 PolarHBondContact O-OG 3.12Å; F32-Y38 HydrophobicContact CD1-CD1 4.24Å; F32-Y38 HydrophobicContact CD1-CE1 4.22Å; F32-Y38 AromaticContact CE1-CD1 3.54Å; F32-Y38 HydrophobicContact CE1-CD1 3.54Å; F32-Y38 HydrophobicContact CE1-CD2 4.02Å; F32-Y38 AromaticContact CE1-CE1 3.71Å; F32-Y38 HydrophobicContact CE1-CE1 3.71Å; F32-Y38 HydrophobicContact CE1-CE2 4.19Å; F32-Y38 AromaticContact CE1-CG 3.67Å; F32-Y38 HydrophobicContact CE1-CG 3.67Å; F32-Y38 HydrophobicContact CE2-CD1 4.48Å; F32-Y38 HydrophobicContact CE2-CG 4.42Å; F32-Y38 AromaticContact CZ-CD1 3.69Å; F32-Y38 HydrophobicContact CZ-CD1 3.69Å; F32-Y38 HydrophobicContact CZ-CD2 4.02Å; F32-Y38 HydrophobicContact CZ-CE1 4.33Å; F32-Y38 AromaticContact CZ-CG 3.48Å; F32-Y38 HydrophobicContact CZ-CG 3.48Å; F32-Y38 VanDerWaalsContact CZ-CG 3.48Å; F32-V49 HydrophobicContact CE1-CG1 3.87Å; F32-V49 HydrophobicContact CZ-CG1 4.38Å; F32-A51 HydrophobicContact CD1-CB 4.02Å; F32-F117 HydrophobicContact CE2-CZ 4.23Å; F32-F117 HydrophobicContact CZ-CZ 4Å; F32-Y233 HydrophobicContact CB-CE1 4.16Å; F32-Y233 HydrophobicContact CD2-CE1 4.31Å; F32-Y233 PolarHBondContact N-OH 3.24Å; F32-I240 HydrophobicContact CE2-CD1 3.89Å; F32-I240 HydrophobicContact CZ-CD1 4.37Å
33	I	98.8	Very high	98.8	Very high	36 Å²	36	39.4 Å²	39.4	19%	0.185	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-28.3	-174.3	66	176.2	0	0	0	112.7	A4 Q30 Y38 H39 A51	A4-I33 HydrophobicContact CB-CD1 3.86Å; A4-I33 HydrophobicContact CB-CG2 3.73Å; Q30-I33 VanDerWaalsContact O-CG1 3.3Å; Q30-I33 WeakPolarHBondContact O-CG1 3.08Å; Q30-I33 PolarHBondContact O-N 2.95Å; I33-Y38 HydrophobicContact CB-CE1 4.41Å; I33-Y38 HydrophobicContact CG2-CE1 4.34Å; I33-H39 PolarHBondContact O-CE1 3.11Å; I33-A51 HydrophobicContact CG2-CB 4.26Å
34	S	98.7	Very high	98.7	Very high	84 Å²	84	44.8 Å²	44.8	59%	0.587	25%	0.247	S	C	*	.	H	α-helix	trans	-92.2	-22.4	-178.9	57	0	0	0	0	114.3	Q30 F32	Q30-S34 WeakPolarHBondContact O-CB 3.25Å; Q30-S34 PolarHBondContact O-N 2.86Å; Q30-S34 PolarHBondContact O-OG 3.18Å; F32-S34 PolarHBondContact O-N 2.85Å
35	K	98.8	Very high	98.7	Very high	100 Å²	100	47.4 Å²	47.4	44%	0.435	26%	0.258	S	S	.	.	H	α-helix	trans	-121.2	-18.6	-168.5	-56.4	-174.7	-64.1	-178.8	0	115.7	N31 F32 Y233	N31-K35 VanDerWaalsContact O-CB 3.29Å; N31-K35 WeakPolarHBondContact O-CB 3.42Å; N31-K35 VanDerWaalsContact O-CE 3.29Å; N31-K35 WeakPolarHBondContact O-CE 3.48Å; N31-K35 WeakPolarHBondContact O-CG 3.42Å; N31-K35 PolarHBondContact O-N 2.87Å; F32-K35 PolarHBondContact O-N 3.03Å; K35-Y233 HydrophobicContact CB-CD1 3.83Å; K35-Y233 HydrophobicContact CB-CG 3.82Å; K35-Y233 HydrophobicContact CD-CD2 4.5Å; K35-Y233 HydrophobicContact CD-CG 4.4Å
36	S	98.8	Very high	98.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	-81.9	-21.6	-173.2	71.8	0	0	0	0	114.2	F32 Y38 A237 I240	F32-S36 VanDerWaalsContact CD2-CB 3.49Å; F32-S36 WeakPolarHBondContact CD2-OG 3.23Å; F32-S36 WeakPolarHBondContact CE2-OG 3.33Å; F32-S36 WeakPolarHBondContact O-CB 3.42Å; F32-S36 PolarHBondContact O-N 3.48Å; F32-S36 PolarHBondContact O-OG 3.12Å; S36-Y38 PolarHBondContact O-N 3.05Å; S36-Y38 VanDerWaalsContact OG-CD1 3.25Å; S36-Y38 WeakPolarHBondContact OG-CD1 3.49Å; S36-Y38 PolarHBondContact OG-N 3.13Å; S36-A237 WeakPolarHBondContact O-CA 3.46Å; S36-A237 WeakPolarHBondContact O-CB 3.18Å; S36-I240 WeakPolarHBondContact O-CG2 3.35Å
37	G	98.7	Very high	98.8	Very high	48 Å²	48	42.8 Å²	42.8	50%	0.495	23%	0.232	S	C	.	.			trans	69.8	12.9	-175.6	0	0	0	0	0	114.9	H39	G37-H39 PolarHBondContact O-N 3.32Å; G37-H39 VanDerWaalsContact O-N 3.14Å
38	Y	98.9	Very high	98.8	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.024	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.9	-174.1	81.1	-74.6	0	0	0	115.5	Y6 F32 I33 S36 Q40 S41 A42 V49	Y6-Y38 WeakPolarHBondContact CB-OH 3.5Å; Y6-Y38 HydrophobicContact CD1-CE2 4.06Å; Y6-Y38 HydrophobicContact CG-CE2 4.08Å; F32-Y38 HydrophobicContact CD1-CD1 4.24Å; F32-Y38 HydrophobicContact CD1-CE1 4.22Å; F32-Y38 AromaticContact CE1-CD1 3.54Å; F32-Y38 HydrophobicContact CE1-CD1 3.54Å; F32-Y38 HydrophobicContact CE1-CD2 4.02Å; F32-Y38 AromaticContact CE1-CE1 3.71Å; F32-Y38 HydrophobicContact CE1-CE1 3.71Å; F32-Y38 HydrophobicContact CE1-CE2 4.19Å; F32-Y38 AromaticContact CE1-CG 3.67Å; F32-Y38 HydrophobicContact CE1-CG 3.67Å; F32-Y38 HydrophobicContact CE2-CD1 4.48Å; F32-Y38 HydrophobicContact CE2-CG 4.42Å; F32-Y38 AromaticContact CZ-CD1 3.69Å; F32-Y38 HydrophobicContact CZ-CD1 3.69Å; F32-Y38 HydrophobicContact CZ-CD2 4.02Å; F32-Y38 HydrophobicContact CZ-CE1 4.33Å; F32-Y38 AromaticContact CZ-CG 3.48Å; F32-Y38 HydrophobicContact CZ-CG 3.48Å; F32-Y38 VanDerWaalsContact CZ-CG 3.48Å; I33-Y38 HydrophobicContact CB-CE1 4.41Å; I33-Y38 HydrophobicContact CG2-CE1 4.34Å; S36-Y38 PolarHBondContact O-N 3.05Å; S36-Y38 VanDerWaalsContact OG-CD1 3.25Å; S36-Y38 WeakPolarHBondContact OG-CD1 3.49Å; S36-Y38 PolarHBondContact OG-N 3.13Å; Y38-Q40 VanDerWaalsContact C-N 3.28Å; Y38-Q40 PolarHBondContact O-N 2.87Å; Y38-S41 PolarHBondContact O-N 2.89Å; Y38-S41 PolarHBondContact O-OG 2.89Å; Y38-A42 HydrophobicContact CD2-CB 3.86Å; Y38-A42 HydrophobicContact CE2-CB 4.19Å; Y38-A42 WeakPolarHBondContact O-CB 3.49Å; Y38-A42 PolarHBondContact O-N 3.47Å; Y38-V49 HydrophobicContact CD2-CB 4.1Å; Y38-V49 HydrophobicContact CD2-CG1 3.99Å; Y38-V49 HydrophobicContact CD2-CG2 3.84Å; Y38-V49 HydrophobicContact CE2-CB 3.5Å; Y38-V49 HydrophobicContact CE2-CG1 3.67Å; Y38-V49 HydrophobicContact CE2-CG2 3.65Å
39	H	98.8	Very high	98.8	Very high	74 Å²	74	40.5 Å²	40.5	34%	0.343	22%	0.217	S	C	.	.	H	α-helix	trans	-56.2	-40.3	-169	-52.7	100	0	0	0	113.3	Y6 I33 G37 A42 S43	Y6-H39 AromaticContact CD2-CD2 3.78Å; Y6-H39 HydrophobicContact CE2-CB 4.45Å; I33-H39 PolarHBondContact O-CE1 3.11Å; G37-H39 PolarHBondContact O-N 3.32Å; G37-H39 VanDerWaalsContact O-N 3.14Å; H39-A42 PolarHBondContact O-N 3.44Å; H39-S43 VanDerWaalsContact O-CB 3.27Å; H39-S43 WeakPolarHBondContact O-CB 3.36Å; H39-S43 PolarHBondContact O-N 2.89Å
40	Q	98.9	Very high	98.8	Very high	135 Å²	135	39.6 Å²	39.6	63%	0.631	21%	0.213	S	C	*	.	H	α-helix	trans	-60.4	-55.4	-176.5	178.8	177.7	-1.7	0	0	110.9	Y38 A42 S43 E44	Y38-Q40 VanDerWaalsContact C-N 3.28Å; Y38-Q40 PolarHBondContact O-N 2.87Å; Q40-A42 PolarHBondContact O-N 3.3Å; Q40-S43 WeakPolarHBondContact O-CB 3.15Å; Q40-S43 PolarHBondContact O-N 3.07Å; Q40-E44 VanDerWaalsContact CG-OE1 3.26Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.15Å; Q40-E44 PolarHBondContact NE2-OE1 3.19Å; Q40-E44 VanDerWaalsContact O-CG 3.3Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 2.98Å
41	S	98.9	Very high	98.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.3	-34.2	-178.8	50.8	0	0	0	0	112	Y38 S43 E44 H45 I244	Y38-S41 PolarHBondContact O-N 2.89Å; Y38-S41 PolarHBondContact O-OG 2.89Å; S41-S43 VanDerWaalsContact C-N 3.35Å; S41-S43 PolarHBondContact O-N 2.65Å; S41-E44 PolarHBondContact O-N 3.24Å; S41-H45 WeakPolarHBondContact O-CB 3.27Å; S41-H45 PolarHBondContact O-CD2 3.44Å; S41-H45 PolarHBondContact O-N 2.58Å; S41-I244 WeakPolarHBondContact OG-CB 3.27Å; S41-I244 WeakPolarHBondContact OG-CG1 3.19Å
42	A	98.8	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.6	-40.3	173.9	0	0	0	0	0	112.3	Y6 Y38 H39 Q40 G46 L47 V49	Y6-A42 HydrophobicContact CD1-CB 4.09Å; Y6-A42 HydrophobicContact CE1-CB 3.86Å; Y38-A42 HydrophobicContact CD2-CB 3.86Å; Y38-A42 HydrophobicContact CE2-CB 4.19Å; Y38-A42 WeakPolarHBondContact O-CB 3.49Å; Y38-A42 PolarHBondContact O-N 3.47Å; H39-A42 PolarHBondContact O-N 3.44Å; Q40-A42 PolarHBondContact O-N 3.3Å; A42-G46 PolarHBondContact O-N 2.81Å; A42-L47 PolarHBondContact O-N 2.95Å; A42-V49 HydrophobicContact CB-CG2 3.78Å
43	S	98.8	Very high	98.8	Very high	44 Å²	44	33.7 Å²	33.7	31%	0.308	19%	0.185	S	C	.	.	H	α-helix	trans	-61.9	-52.2	173.4	-170.5	0	0	0	0	111.3	Y6 P9 H39 Q40 S41 H45 G46	Y6-S43 VanDerWaalsContact OH-CB 3.23Å; Y6-S43 WeakPolarHBondContact OH-CB 3.38Å; P9-S43 WeakPolarHBondContact CD-OG 3.34Å; H39-S43 VanDerWaalsContact O-CB 3.27Å; H39-S43 WeakPolarHBondContact O-CB 3.36Å; H39-S43 PolarHBondContact O-N 2.89Å; Q40-S43 WeakPolarHBondContact O-CB 3.15Å; Q40-S43 PolarHBondContact O-N 3.07Å; S41-S43 VanDerWaalsContact C-N 3.35Å; S41-S43 PolarHBondContact O-N 2.65Å; S43-H45 PolarHBondContact O-N 2.99Å; S43-G46 PolarHBondContact O-N 2.94Å; S43-G46 VanDerWaalsContact O-N 3.17Å
44	E	98.7	Very high	98.8	Very high	113 Å²	113	32 Å²	32	53%	0.528	18%	0.176	S	C	.	.	H	α-helix	trans	-58.1	-36.9	-179	-73.6	169.7	-173.5	0	0	112.1	Q40 S41	Q40-E44 VanDerWaalsContact CG-OE1 3.26Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.15Å; Q40-E44 PolarHBondContact NE2-OE1 3.19Å; Q40-E44 VanDerWaalsContact O-CG 3.3Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 2.98Å; S41-E44 PolarHBondContact O-N 3.24Å
45	H	98.8	Very high	98.8	Very high	55 Å²	55	28 Å²	28	26%	0.255	15%	0.148	S	C	.	.	H	α-helix	trans	-94.3	-1.6	-179.1	-70.5	-65.1	0	0	0	114.8	S41 S43 L47 R245 A248 N252	S41-H45 WeakPolarHBondContact O-CB 3.27Å; S41-H45 PolarHBondContact O-CD2 3.44Å; S41-H45 PolarHBondContact O-N 2.58Å; S43-H45 PolarHBondContact O-N 2.99Å; H45-L47 HydrophobicContact CB-CD1 4.3Å; H45-L47 HydrophobicContact CB-CG 4Å; H45-R245 VanDerWaalsContact NE2-CG 3.27Å; H45-R245 WeakPolarHBondContact NE2-CG 3.28Å; H45-A248 HydrophobicContact CB-CB 3.73Å; H45-N252 PolarHBondContact O-ND2 2.97Å
46	G	98.6	Very high	98.8	Very high	5 Å²	5	23.5 Å²	23.5	5%	0.052	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	44.5	178.4	0	0	0	0	0	113.3	C16 A42 S43	C16-G46 WeakPolarHBondContact CB-O 3.29Å; A42-G46 PolarHBondContact O-N 2.81Å; S43-G46 PolarHBondContact O-N 2.94Å; S43-G46 VanDerWaalsContact O-N 3.17Å
47	L	98.9	Very high	98.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.			trans	-105.8	131	179.9	-54.2	-175.4	0	0	0	111.1	P8 P17 L19 A42 H45 I244 A248 L251	P8-L47 WeakPolarHBondContact CD-O 3.25Å; P8-L47 WeakPolarHBondContact CG-O 3.44Å; P17-L47 HydrophobicContact CB-CD2 4.02Å; P17-L47 HydrophobicContact CG-CD2 4.03Å; L19-L47 HydrophobicContact CD2-CD1 4.27Å; A42-L47 PolarHBondContact O-N 2.95Å; H45-L47 HydrophobicContact CB-CD1 4.3Å; H45-L47 HydrophobicContact CB-CG 4Å; L47-I244 HydrophobicContact CD1-CG2 4.09Å; L47-A248 HydrophobicContact CD1-CB 4.16Å; L47-L251 HydrophobicContact CD1-CD1 4.43Å; L47-L251 HydrophobicContact CD2-CB 4.31Å; L47-L251 HydrophobicContact CD2-CD1 4.13Å
48	V	98.9	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	129.2	165.5	172.4	0	0	0	0	107.5	V5 Y6 L7 C16 P17 A18 L19 I50 V109	V5-V48 HydrophobicContact CG1-CG1 3.89Å; Y6-V48 WeakPolarHBondContact O-CA 3.26Å; L7-V48 HydrophobicContact CD2-CG1 4.15Å; L7-V48 HydrophobicContact CD2-CG2 3.97Å; C16-V48 HydrophobicContact CB-CG2 3.78Å; P17-V48 PolarHBondContact O-N 3.03Å; A18-V48 CarbonylContact C-O 3.58Å; A18-V48 WeakPolarHBondContact CA-O 3.47Å; L19-V48 PolarHBondContact N-O 3.02Å; V48-I50 HydrophobicContact CG1-CD1 3.81Å; V48-I50 HydrophobicContact CG1-CG1 4.32Å; V48-V109 HydrophobicContact CB-CG2 4Å; V48-V109 HydrophobicContact CG1-CG2 3.8Å; V48-V109 HydrophobicContact CG2-CG2 4.07Å
49	V	98.9	Very high	98.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.7	179.8	-176.1	0	0	0	0	109.7	V5 Y6 L19 F32 Y38 A42	V5-V49 WeakPolarHBondContact CA-O 3.39Å; Y6-V49 PolarHBondContact N-O 3.47Å; Y6-V49 PolarHBondContact O-N 3.17Å; L19-V49 VanDerWaalsContact O-CA 3.32Å; L19-V49 WeakPolarHBondContact O-CA 3.4Å; F32-V49 HydrophobicContact CE1-CG1 3.87Å; F32-V49 HydrophobicContact CZ-CG1 4.38Å; Y38-V49 HydrophobicContact CD2-CB 4.1Å; Y38-V49 HydrophobicContact CD2-CG1 3.99Å; Y38-V49 HydrophobicContact CD2-CG2 3.84Å; Y38-V49 HydrophobicContact CE2-CB 3.5Å; Y38-V49 HydrophobicContact CE2-CG1 3.67Å; Y38-V49 HydrophobicContact CE2-CG2 3.65Å; A42-V49 HydrophobicContact CB-CG2 3.78Å
50	I	98.9	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.2	-178.2	-54.4	88.8	0	0	0	108.4	A4 V5 A18 L19 Y20 W21 V48 L99 I103	A4-I50 WeakPolarHBondContact O-CA 3.49Å; V5-I50 HydrophobicContact CG2-CG1 4.49Å; A18-I50 HydrophobicContact CB-CD1 3.67Å; L19-I50 PolarHBondContact O-N 3.06Å; Y20-I50 CarbonylContact C-O 3.5Å; Y20-I50 WeakPolarHBondContact CA-O 3.47Å; Y20-I50 HydrophobicContact CD1-CB 3.83Å; Y20-I50 HydrophobicContact CD1-CG2 3.99Å; Y20-I50 HydrophobicContact CD2-CD1 4.28Å; Y20-I50 HydrophobicContact CE1-CB 3.84Å; Y20-I50 HydrophobicContact CE1-CD1 4.27Å; Y20-I50 HydrophobicContact CE1-CG1 4.15Å; Y20-I50 HydrophobicContact CE1-CG2 3.82Å; Y20-I50 HydrophobicContact CE2-CD1 3.91Å; Y20-I50 HydrophobicContact CG-CB 4.37Å; W21-I50 PolarHBondContact N-O 3.29Å; V48-I50 HydrophobicContact CG1-CD1 3.81Å; V48-I50 HydrophobicContact CG1-CG1 4.32Å; I50-L99 HydrophobicContact CG2-CD2 4.16Å; I50-I103 HydrophobicContact CD1-CG2 4.31Å; I50-I103 HydrophobicContact CG1-CD1 3.89Å; I50-I103 HydrophobicContact CG1-CG1 4.12Å; I50-I103 HydrophobicContact CG1-CG2 4.24Å; I50-I103 HydrophobicContact CG2-CD1 3.99Å; I50-I103 HydrophobicContact CG2-CG1 4.25Å
51	A	98.9	Very high	98.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	98.4	176.7	0	0	0	0	0	109.5	F3 A4 W21 E29 F32 I33	F3-A51 WeakPolarHBondContact CA-O 3.34Å; A4-A51 HydrophobicContact CB-CB 4.43Å; A4-A51 PolarHBondContact N-O 2.76Å; A4-A51 PolarHBondContact O-N 2.83Å; W21-A51 HydrophobicContact CB-CB 4.43Å; E29-A51 WeakPolarHBondContact CB-O 3.47Å; F32-A51 HydrophobicContact CD1-CB 4.02Å; I33-A51 HydrophobicContact CG2-CB 4.26Å
52	P	98.9	Very high	98.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	164.3	173.9	29.1	-25.8	0	0	0	112.4	F3 W21 L22 Y94 V95 L99	F3-P52 HydrophobicContact CB-CB 4.39Å; W21-P52 WeakPolarHBondContact O-CD 3.47Å; L22-P52 HydrophobicContact CD2-CG 3.75Å; P52-Y94 HydrophobicContact CB-CE1 3.9Å; P52-V95 HydrophobicContact CG-CG1 4.33Å; P52-L99 HydrophobicContact CB-CD2 3.65Å; P52-L99 HydrophobicContact CG-CD2 3.88Å
53	D	98.8	Very high	98.4	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.027	22%	0.215	C	C	.	.			trans	-64.7	167.9	163.4	-155.6	-7.7	0	0	0	111.8	M1 K2 T28 R57 M91	M1-D53 HydrophobicContact CB-CB 4.29Å; K2-D53 VanDerWaalsContact O-CB 3.27Å; K2-D53 WeakPolarHBondContact O-CB 3.19Å; K2-D53 PolarHBondContact O-N 2.83Å; T28-D53 WeakPolarHBondContact CA-OD1 3.49Å; D53-R57 IonicContact OD1-CZ 2.74Å; D53-R57 IonicContact OD1-NE 3.53Å; D53-R57 PolarHBondContact OD1-NE 2.91Å; D53-R57 IonicContact OD1-NH2 3.77Å; D53-R57 PolarHBondContact OD1-NH2 3.37Å; D53-R57 WeakPolarHBondContact OD2-CG 3.49Å; D53-R57 IonicContact OD2-CZ 3.48Å; D53-R57 IonicContact OD2-NE 2.76Å; D53-R57 PolarHBondContact OD2-NE 3.26Å; D53-R57 IonicContact OD2-NH2 3.37Å; D53-M91 WeakPolarHBondContact O-CE 3.27Å
54	T	98.8	Very high	98.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-103.1	-9.3	-167.7	56.1	0	0	0	0	114.5	G24 C27 R57 G73 G75 M121	G24-T54 WeakPolarHBondContact O-CG2 3.45Å; C27-T54 HydrophobicContact CB-CG2 4.12Å; C27-T54 WeakPolarHBondContact O-CG2 3.42Å; C27-T54 PolarHBondContact O-OG1 3.26Å; T54-R57 PolarHBondContact OG1-NH2 3.1Å; T54-G73 WeakPolarHBondContact OG1-CA 2.98Å; T54-G75 WeakPolarHBondContact O-CA 3.41Å; T54-G75 PolarHBondContact O-N 3.01Å; T54-G75 VanDerWaalsContact O-N 3.13Å; T54-M121 HydrophobicContact CG2-CE 4.29Å
55	S	98.8	Very high	98.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-159.1	164.7	177.8	72.2	0	0	0	0	110.1	M1 G73	M1-S55 WeakPolarHBondContact CG-O 3.43Å; S55-G73 PolarHBondContact OG-N 3.33Å
56	P	98.7	Very high	98.1	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.039	23%	0.228	C	C	.	.			trans	-51.7	155	158	27.4	-38.1	0	0	0	111.4	N88 Y89	P56-N88 HydrophobicContact CB-CB 4.03Å; P56-N88 HydrophobicContact CG-CB 4.04Å; P56-Y89 HydrophobicContact CG-CD1 4.03Å; P56-Y89 HydrophobicContact CG-CD2 3.74Å; P56-Y89 HydrophobicContact CG-CE1 3.93Å; P56-Y89 HydrophobicContact CG-CE2 3.61Å; P56-Y89 HydrophobicContact CG-CG 3.93Å
57	R	98.3	Very high	98	Very high	76 Å²	76	42.7 Å²	42.7	29%	0.287	24%	0.238	S	C	.	.			trans	-134.6	140.6	-177.4	-61.5	-64.2	-175.5	-178.1	-6.7	110.2	C27 D53 T54	C27-R57 PolarHBondContact O-NH2 3.33Å; D53-R57 IonicContact OD1-CZ 2.74Å; D53-R57 IonicContact OD1-NE 3.53Å; D53-R57 PolarHBondContact OD1-NE 2.91Å; D53-R57 IonicContact OD1-NH2 3.77Å; D53-R57 PolarHBondContact OD1-NH2 3.37Å; D53-R57 WeakPolarHBondContact OD2-CG 3.49Å; D53-R57 IonicContact OD2-CZ 3.48Å; D53-R57 IonicContact OD2-NE 2.76Å; D53-R57 PolarHBondContact OD2-NE 3.26Å; D53-R57 IonicContact OD2-NH2 3.37Å; T54-R57 PolarHBondContact OG1-NH2 3.1Å
58	G	97.6	Very high	98	Very high	81 Å²	81	48.9 Å²	48.9	84%	0.835	26%	0.262	S	S	*	.	S	Bend	trans	70.6	28.6	175.2	0	0	0	0	0	113.9
59	C	96.9	Very high	98	Very high	38 Å²	38	49.8 Å²	49.8	26%	0.257	27%	0.266	S	S	.	.			trans	-82	-21.5	-179	-66.2	0	0	0	0	112.9	I61 E64 N88	C59-I61 HydrophobicContact CB-CD1 3.66Å; C59-I61 HydrophobicContact CB-CG1 3.83Å; C59-I61 PolarHBondContact O-N 3.01Å; C59-E64 WeakPolarHBondContact CB-OE1 3.43Å; C59-N88 PolarHBondContact SG-ND2 3.32Å; C59-N88 VanDerWaalsContact SG-ND2 3.37Å
60	N	97.1	Very high	97.9	Very high	150 Å²	150	50.9 Å²	50.9	80%	0.802	27%	0.271	S	S	*	.			trans	54.3	38.3	-177.3	-165.5	47.5	0	0	0	112.4	E64	N60-E64 VanDerWaalsContact CA-OE1 3.31Å; N60-E64 WeakPolarHBondContact CA-OE1 3.17Å; N60-E64 PolarHBondContact N-OE1 2.89Å
61	I	97.9	Very high	97.9	Very high	23 Å²	23	50.9 Å²	50.9	12%	0.118	27%	0.271	C	S	.	.			trans	-78.4	128.6	175.9	-66.4	163.4	0	0	0	108.4	C59 G63 E64 P84 W85 N88 Y89	C59-I61 HydrophobicContact CB-CD1 3.66Å; C59-I61 HydrophobicContact CB-CG1 3.83Å; C59-I61 PolarHBondContact O-N 3.01Å; I61-G63 PolarHBondContact O-N 3.07Å; I61-E64 HydrophobicContact CB-CB 4.13Å; I61-E64 HydrophobicContact CB-CG 4.24Å; I61-E64 PolarHBondContact N-OE1 2.91Å; I61-E64 WeakPolarHBondContact O-CB 3.32Å; I61-E64 VanDerWaalsContact O-CG 3.3Å; I61-E64 WeakPolarHBondContact O-CG 3.48Å; I61-E64 PolarHBondContact O-N 2.94Å; I61-P84 HydrophobicContact CG2-CB 3.86Å; I61-P84 HydrophobicContact CG2-CG 3.46Å; I61-P84 VanDerWaalsContact CG2-CG 3.46Å; I61-W85 HydrophobicContact CG2-CE3 4.09Å; I61-W85 HydrophobicContact CG2-CH2 4.06Å; I61-W85 HydrophobicContact CG2-CZ3 3.69Å; I61-N88 HydrophobicContact CD1-CB 4.06Å; I61-Y89 HydrophobicContact CD1-CD2 4.28Å; I61-Y89 HydrophobicContact CD1-CE2 3.86Å
62	K	97.9	Very high	97.9	Very high	185 Å²	185	52.3 Å²	52.3	80%	0.804	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	125.6	176.6	-174.6	-178.8	178.5	-177	0	110.3
63	G	96.7	Very high	97.9	Very high	18 Å²	18	52.4 Å²	52.4	19%	0.186	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-9	-179.8	0	0	0	0	0	115.3	I61 D65	I61-G63 PolarHBondContact O-N 3.07Å; G63-D65 VanDerWaalsContact C-N 3.34Å; G63-D65 PolarHBondContact O-N 2.87Å
64	E	96.9	Very high	97.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.3	-173.2	84.2	176.7	142.3	0	0	114.6	C59 N60 I61 G71 T72 W85 Y89	C59-E64 WeakPolarHBondContact CB-OE1 3.43Å; N60-E64 VanDerWaalsContact CA-OE1 3.31Å; N60-E64 WeakPolarHBondContact CA-OE1 3.17Å; N60-E64 PolarHBondContact N-OE1 2.89Å; I61-E64 HydrophobicContact CB-CB 4.13Å; I61-E64 HydrophobicContact CB-CG 4.24Å; I61-E64 PolarHBondContact N-OE1 2.91Å; I61-E64 WeakPolarHBondContact O-CB 3.32Å; I61-E64 VanDerWaalsContact O-CG 3.3Å; I61-E64 WeakPolarHBondContact O-CG 3.48Å; I61-E64 PolarHBondContact O-N 2.94Å; E64-G71 CarbonylContact O-C 3.53Å; E64-G71 WeakPolarHBondContact O-CA 3.15Å; E64-T72 WeakPolarHBondContact CG-OG1 3.4Å; E64-T72 PolarHBondContact O-N 2.86Å; E64-T72 PolarHBondContact O-OG1 3.29Å; E64-W85 HydrophobicContact CB-CH2 4.32Å; E64-W85 HydrophobicContact CB-CZ3 3.77Å; E64-Y89 PolarHBondContact OE2-OH 2.97Å
65	D	97.1	Very high	97.9	Very high	116 Å²	116	52.1 Å²	52.1	62%	0.62	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	9.8	-178.1	-60.9	-43	0	0	0	112.8	G63 T72	G63-D65 VanDerWaalsContact C-N 3.34Å; G63-D65 PolarHBondContact O-N 2.87Å; D65-T72 WeakPolarHBondContact OD1-CB 3.44Å; D65-T72 PolarHBondContact OD1-OG1 3.44Å
66	E	96.3	Very high	97.9	Very high	157 Å²	157	52.1 Å²	52.1	73%	0.734	28%	0.279	S	S	*	.	S	Bend	trans	-80.8	-27	-174	-70.8	178.6	-174.8	0	0	113.7
67	S	97.4	Very high	97.9	Very high	39 Å²	39	51.9 Å²	51.9	27%	0.273	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-143	142.4	-174.1	-165.5	0	0	0	0	111	D69 F70 K157	S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 WeakPolarHBondContact CB-OD1 3.32Å; S67-D69 PolarHBondContact O-N 3.44Å; S67-D69 PolarHBondContact OG-OD1 3Å; S67-F70 PolarHBondContact O-N 3.46Å; S67-K157 PolarHBondContact OG-NZ 3.45Å
68	W	97.9	Very high	97.9	Very high	130 Å²	130	48.2 Å²	48.2	49%	0.492	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.6	-176	64.7	-90.8	0	0	0	114.1	L25 T26 W154	L25-W68 HydrophobicContact CB-CE3 4.45Å; L25-W68 HydrophobicContact CB-CZ3 4.34Å; L25-W68 HydrophobicContact CD1-CE3 4.28Å; L25-W68 HydrophobicContact CD1-CZ3 3.65Å; T26-W68 HydrophobicContact CG2-CB 4.02Å; T26-W68 HydrophobicContact CG2-CE3 4.06Å; W68-W154 AromaticContact CH2-CE2 3.61Å; W68-W154 HydrophobicContact CH2-CH2 4.43Å; W68-W154 AromaticContact CH2-CZ2 3.46Å; W68-W154 HydrophobicContact CH2-CZ2 3.46Å; W68-W154 VanDerWaalsContact CH2-CZ2 3.46Å; W68-W154 AromaticContact CH2-NE1 3.47Å; W68-W154 HydrophobicContact CZ2-CZ2 4.48Å; W68-W154 AromaticContact CZ2-NE1 3.94Å; W68-W154 HydrophobicContact CZ3-CZ2 4.09Å
69	D	98.1	Very high	98	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.102	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	7.2	-177.4	65.9	-10.2	0	0	0	113.2	S67 K157	S67-D69 VanDerWaalsContact C-N 3.27Å; S67-D69 WeakPolarHBondContact CB-OD1 3.32Å; S67-D69 PolarHBondContact O-N 3.44Å; S67-D69 PolarHBondContact OG-OD1 3Å; D69-K157 VanDerWaalsContact CG-NZ 3.3Å; D69-K157 WeakPolarHBondContact OD1-CE 3.33Å; D69-K157 IonicContact OD1-NZ 2.98Å; D69-K157 PolarHBondContact OD1-NZ 3.26Å; D69-K157 WeakPolarHBondContact OD2-CD 3.45Å; D69-K157 IonicContact OD2-NZ 3.11Å; D69-K157 PolarHBondContact OD2-NZ 2.89Å; D69-K157 VanDerWaalsContact OD2-NZ 3.16Å
70	F	98.8	Very high	98.1	Very high	24 Å²	24	43.7 Å²	43.7	11%	0.105	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-154.4	142.8	179.5	-173.4	-101.6	0	0	0	111.5	S67 W85 Y162	S67-F70 PolarHBondContact O-N 3.46Å; F70-W85 HydrophobicContact CD1-CH2 4.42Å; F70-W85 HydrophobicContact CE1-CD2 4.37Å; F70-W85 AromaticContact CE1-CE2 3.74Å; F70-W85 AromaticContact CE1-CH2 3.58Å; F70-W85 HydrophobicContact CE1-CH2 3.58Å; F70-W85 AromaticContact CE1-CZ2 3.35Å; F70-W85 HydrophobicContact CE1-CZ2 3.35Å; F70-W85 HydrophobicContact CE1-CZ3 4.17Å; F70-W85 HydrophobicContact CZ-CD2 4.14Å; F70-W85 AromaticContact CZ-CE2 3.66Å; F70-W85 HydrophobicContact CZ-CH2 4.3Å; F70-W85 AromaticContact CZ-CZ2 3.8Å; F70-W85 HydrophobicContact CZ-CZ2 3.8Å; F70-W85 AromaticContact CZ-NE1 3.87Å; F70-Y162 HydrophobicContact CD2-CE1 4.35Å; F70-Y162 HydrophobicContact CD2-CE2 4.06Å; F70-Y162 AromaticContact CD2-CZ 3.89Å; F70-Y162 HydrophobicContact CE1-CE1 4.5Å; F70-Y162 AromaticContact CE2-CD1 3.86Å; F70-Y162 HydrophobicContact CE2-CD1 3.86Å; F70-Y162 HydrophobicContact CE2-CD2 4.06Å; F70-Y162 AromaticContact CE2-CE1 3.56Å; F70-Y162 HydrophobicContact CE2-CE1 3.56Å; F70-Y162 AromaticContact CE2-CE2 3.78Å; F70-Y162 HydrophobicContact CE2-CE2 3.78Å; F70-Y162 HydrophobicContact CE2-CG 4.1Å; F70-Y162 AromaticContact CE2-CZ 3.52Å; F70-Y162 AromaticContact CZ-CD1 3.98Å; F70-Y162 HydrophobicContact CZ-CD1 3.98Å; F70-Y162 AromaticContact CZ-CE1 3.65Å; F70-Y162 HydrophobicContact CZ-CE1 3.65Å
71	G	98.6	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	79.8	-131.4	-175.3	0	0	0	0	0	113.3	E64 G73 A74 Y89 Y162	E64-G71 CarbonylContact O-C 3.53Å; E64-G71 WeakPolarHBondContact O-CA 3.15Å; G71-G73 PolarHBondContact O-N 2.84Å; G71-A74 CarbonylContact O-C 3.5Å; G71-A74 VanDerWaalsContact O-C 3.3Å; G71-A74 WeakPolarHBondContact O-CA 3.27Å; G71-A74 PolarHBondContact O-N 2.96Å; G71-Y89 VanDerWaalsContact CA-OH 3.3Å; G71-Y89 WeakPolarHBondContact CA-OH 3.44Å; G71-Y89 WeakPolarHBondContact O-CE1 3.43Å; G71-Y162 WeakPolarHBondContact CA-OH 3.3Å; G71-Y162 PolarHBondContact N-OH 3.45Å
72	T	98.7	Very high	98.2	Very high	31 Å²	31	41.3 Å²	41.3	19%	0.19	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	122.1	-174.1	-64.6	0	0	0	0	111.1	E64 D65 A74 Y89	E64-T72 WeakPolarHBondContact CG-OG1 3.4Å; E64-T72 PolarHBondContact O-N 2.86Å; E64-T72 PolarHBondContact O-OG1 3.29Å; D65-T72 WeakPolarHBondContact OD1-CB 3.44Å; D65-T72 PolarHBondContact OD1-OG1 3.44Å; T72-A74 VanDerWaalsContact C-N 3.32Å; T72-Y89 PolarHBondContact N-OH 3.5Å
73	G	98.6	Very high	98.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	4.5	-172.8	0	0	0	0	0	114.7	L25 T26 T54 S55 G71	L25-G73 CarbonylContact C-O 3.46Å; L25-G73 WeakPolarHBondContact CA-O 3.3Å; T26-G73 PolarHBondContact N-O 2.96Å; T54-G73 WeakPolarHBondContact OG1-CA 2.98Å; S55-G73 PolarHBondContact OG-N 3.33Å; G71-G73 PolarHBondContact O-N 2.84Å
74	A	98.7	Very high	98.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-143.5	49.8	-171.9	0	0	0	0	0	112.2	L25 G71 T72 F76 Y162	L25-A74 HydrophobicContact CD2-CB 3.43Å; L25-A74 VanDerWaalsContact CD2-CB 3.43Å; G71-A74 CarbonylContact O-C 3.5Å; G71-A74 VanDerWaalsContact O-C 3.3Å; G71-A74 WeakPolarHBondContact O-CA 3.27Å; G71-A74 PolarHBondContact O-N 2.96Å; T72-A74 VanDerWaalsContact C-N 3.32Å; A74-F76 VanDerWaalsContact C-N 3.25Å; A74-F76 WeakPolarHBondContact O-CD2 3.48Å; A74-F76 PolarHBondContact O-N 3.48Å; A74-Y162 WeakPolarHBondContact O-CE2 3.46Å; A74-Y162 PolarHBondContact O-OH 3.32Å
75	G	98.8	Very high	98.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.			trans	-74.3	-8.6	-178.6	0	0	0	0	0	115.4	T54 Y77 V78	T54-G75 WeakPolarHBondContact O-CA 3.41Å; T54-G75 PolarHBondContact O-N 3.01Å; T54-G75 VanDerWaalsContact O-N 3.13Å; G75-Y77 PolarHBondContact O-N 3.39Å; G75-V78 PolarHBondContact O-N 2.9Å
76	F	98.9	Very high	98.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	9.8	179.2	-88.3	-99.2	0	0	0	116.6	L25 A74 V78 M121 I146 W154 A158 F159 Y162	L25-F76 HydrophobicContact CD2-CE2 3.81Å; L25-F76 HydrophobicContact CD2-CZ 4.34Å; A74-F76 VanDerWaalsContact C-N 3.25Å; A74-F76 WeakPolarHBondContact O-CD2 3.48Å; A74-F76 PolarHBondContact O-N 3.48Å; F76-V78 HydrophobicContact CB-CG1 4.32Å; F76-V78 PolarHBondContact O-N 2.96Å; F76-M121 HydrophobicContact CB-SD 4.48Å; F76-M121 HydrophobicContact CD1-CG 4.27Å; F76-M121 HydrophobicContact CD2-CG 4.35Å; F76-M121 HydrophobicContact CD2-SD 3.77Å; F76-M121 HydrophobicContact CE1-CG 4.49Å; F76-M121 HydrophobicContact CE2-SD 4.1Å; F76-M121 HydrophobicContact CG-CG 4.18Å; F76-M121 HydrophobicContact CG-SD 4.1Å; F76-M121 PolarHBondContact N-SD 3.29Å; F76-I146 HydrophobicContact CE1-CD1 4.3Å; F76-W154 HydrophobicContact CZ-CB 4.04Å; F76-A158 HydrophobicContact CB-CB 4.35Å; F76-A158 HydrophobicContact CD1-CB 3.85Å; F76-A158 HydrophobicContact CD2-CB 3.36Å; F76-A158 HydrophobicContact CE1-CB 3.95Å; F76-A158 HydrophobicContact CE2-CB 3.46Å; F76-A158 VanDerWaalsContact CE2-CB 3.46Å; F76-A158 HydrophobicContact CG-CB 3.57Å; F76-A158 HydrophobicContact CZ-CB 3.78Å; F76-F159 HydrophobicContact CD1-CE1 4.48Å; F76-Y162 HydrophobicContact CB-CE2 4.41Å; F76-Y162 HydrophobicContact CD2-CE2 4.42Å
77	Y	98.9	Very high	98.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	36.9	-176.9	-54.6	-79.9	0	0	0	113	L22 S23 G75 Y92 V95 M121 G122	L22-Y77 HydrophobicContact CB-CE1 4.08Å; L22-Y77 HydrophobicContact CB-CE2 4.32Å; L22-Y77 HydrophobicContact CD1-CD1 3.88Å; L22-Y77 HydrophobicContact CD1-CE1 3.83Å; L22-Y77 HydrophobicContact CD1-CG 4.25Å; L22-Y77 HydrophobicContact CD2-CD1 4.48Å; L22-Y77 HydrophobicContact CD2-CE1 3.84Å; L22-Y77 HydrophobicContact CG-CE1 4.13Å; S23-Y77 PolarHBondContact N-OH 3.34Å; S23-Y77 VanDerWaalsContact N-OH 3.14Å; S23-Y77 PolarHBondContact O-OH 3.07Å; G75-Y77 PolarHBondContact O-N 3.39Å; Y77-Y92 WeakPolarHBondContact O-CB 3.32Å; Y77-V95 HydrophobicContact CD1-CG1 4.02Å; Y77-V95 HydrophobicContact CD1-CG2 4.36Å; Y77-V95 HydrophobicContact CE1-CG1 4.16Å; Y77-M121 HydrophobicContact CD2-CE 4.46Å; Y77-M121 HydrophobicContact CD2-CG 4.13Å; Y77-M121 VanDerWaalsContact CD2-O 3.23Å; Y77-M121 WeakPolarHBondContact CD2-O 3.36Å; Y77-M121 HydrophobicContact CE2-CE 3.74Å; Y77-M121 HydrophobicContact CE2-CG 4.02Å; Y77-M121 VanDerWaalsContact CE2-O 3.31Å; Y77-M121 WeakPolarHBondContact CE2-O 3.46Å; Y77-G122 VanDerWaalsContact CE2-CA 3.44Å
78	V	98.9	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.			trans	-105.3	165.7	172.8	-57.1	0	0	0	0	110.9	G75 F76 M91 Y92 F159 Y162 L163 Y173	G75-V78 PolarHBondContact O-N 2.9Å; F76-V78 HydrophobicContact CB-CG1 4.32Å; F76-V78 PolarHBondContact O-N 2.96Å; V78-M91 PolarHBondContact O-N 3.06Å; V78-Y92 PolarHBondContact O-N 2.85Å; V78-F159 HydrophobicContact CG1-CD1 4.32Å; V78-F159 HydrophobicContact CG1-CE1 3.81Å; V78-Y162 HydrophobicContact CG2-CD2 3.91Å; V78-Y162 HydrophobicContact CG2-CG 4.18Å; V78-L163 HydrophobicContact CB-CD2 4.47Å; V78-Y173 HydrophobicContact CB-CD1 4.07Å; V78-Y173 HydrophobicContact CB-CE1 4.08Å; V78-Y173 HydrophobicContact CB-CG 4.31Å; V78-Y173 HydrophobicContact CG1-CD1 3.71Å; V78-Y173 HydrophobicContact CG1-CD2 4.24Å; V78-Y173 HydrophobicContact CG1-CE1 4.24Å; V78-Y173 HydrophobicContact CG1-CG 3.71Å
79	D	98.9	Very high	98.6	Very high	21 Å²	21	33.8 Å²	33.8	11%	0.112	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-101.3	107.5	158.8	-71.8	-18.5	0	0	0	108.1	R90 Y92 S93 Y173	D79-R90 WeakPolarHBondContact OD1-CA 3.4Å; D79-R90 IonicContact OD2-NH2 3.38Å; D79-Y92 WeakPolarHBondContact OD1-CB 3.27Å; D79-Y92 PolarHBondContact OD1-N 3.18Å; D79-S93 WeakPolarHBondContact OD1-CB 3.32Å; D79-S93 PolarHBondContact OD1-N 2.99Å; D79-S93 PolarHBondContact OD1-OG 3.26Å; D79-S93 WeakPolarHBondContact OD2-CB 3.41Å; D79-S93 PolarHBondContact OD2-OG 2.95Å; D79-Y173 PolarHBondContact N-OH 2.91Å
80	A	98.8	Very high	98.7	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.025	20%	0.196	C	C	.	.			trans	-61.5	141.8	-179.4	0	0	0	0	0	111.6	W85 Y89 Y162	A80-W85 HydrophobicContact CB-CB 3.67Å; A80-Y89 WeakPolarHBondContact CB-O 3.29Å; A80-Y89 PolarHBondContact N-O 3Å; A80-Y162 CarbonylContact C-O 3.6Å; A80-Y162 WeakPolarHBondContact CA-O 3.42Å; A80-Y162 HydrophobicContact CB-CD1 4.09Å; A80-Y162 HydrophobicContact CB-CG 4.29Å
81	T	98.7	Very high	98.7	Very high	56 Å²	56	36.8 Å²	36.8	34%	0.344	19%	0.191	S	C	.	.			trans	-107.5	-23.6	175.8	62.5	0	0	0	0	113.2	Y162 K169	T81-Y162 PolarHBondContact N-O 3.04Å; T81-K169 PolarHBondContact OG1-NZ 3.45Å
82	E	98.8	Very high	98.7	Very high	67 Å²	67	38.2 Å²	38.2	31%	0.313	20%	0.197	S	C	.	.	S	Bend	trans	-90.3	144.1	-176.5	-51	-51.2	114.7	0	0	111.8	W85 K86 Y162 G164 K169	E82-W85 WeakPolarHBondContact O-CB 3.4Å; E82-W85 PolarHBondContact O-N 2.79Å; E82-K86 PolarHBondContact O-N 2.94Å; E82-Y162 PolarHBondContact N-O 3.42Å; E82-Y162 VanDerWaalsContact N-O 3.12Å; E82-G164 VanDerWaalsContact CG-N 3.27Å; E82-K169 IonicContact OE1-NZ 3.22Å; E82-K169 PolarHBondContact OE1-NZ 2.82Å
83	D	98.4	Very high	98.7	Very high	127 Å²	127	38.3 Å²	38.3	68%	0.679	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	147.3	169.2	-69.5	-52.5	0	0	0	110.5
84	P	98.2	Very high	98.7	Very high	63 Å²	63	39 Å²	39	41%	0.409	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	cis	-85.9	5.8	1.1	35.4	-38	0	0	0	114.9	I61	I61-P84 HydrophobicContact CG2-CB 3.86Å; I61-P84 HydrophobicContact CG2-CG 3.46Å; I61-P84 VanDerWaalsContact CG2-CG 3.46Å
85	W	98.8	Very high	98.7	Very high	22 Å²	22	39 Å²	39	8%	0.083	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-77.8	-30.9	-167.6	-44	106.3	0	0	0	114	I61 E64 F70 A80 E82 T87 N88 Y89 G161 Y162	I61-W85 HydrophobicContact CG2-CE3 4.09Å; I61-W85 HydrophobicContact CG2-CH2 4.06Å; I61-W85 HydrophobicContact CG2-CZ3 3.69Å; E64-W85 HydrophobicContact CB-CH2 4.32Å; E64-W85 HydrophobicContact CB-CZ3 3.77Å; F70-W85 HydrophobicContact CD1-CH2 4.42Å; F70-W85 HydrophobicContact CE1-CD2 4.37Å; F70-W85 AromaticContact CE1-CE2 3.74Å; F70-W85 AromaticContact CE1-CH2 3.58Å; F70-W85 HydrophobicContact CE1-CH2 3.58Å; F70-W85 AromaticContact CE1-CZ2 3.35Å; F70-W85 HydrophobicContact CE1-CZ2 3.35Å; F70-W85 HydrophobicContact CE1-CZ3 4.17Å; F70-W85 HydrophobicContact CZ-CD2 4.14Å; F70-W85 AromaticContact CZ-CE2 3.66Å; F70-W85 HydrophobicContact CZ-CH2 4.3Å; F70-W85 AromaticContact CZ-CZ2 3.8Å; F70-W85 HydrophobicContact CZ-CZ2 3.8Å; F70-W85 AromaticContact CZ-NE1 3.87Å; A80-W85 HydrophobicContact CB-CB 3.67Å; E82-W85 WeakPolarHBondContact O-CB 3.4Å; E82-W85 PolarHBondContact O-N 2.79Å; W85-T87 PolarHBondContact O-N 3.27Å; W85-N88 PolarHBondContact O-N 3.34Å; W85-N88 VanDerWaalsContact O-N 3.1Å; W85-Y89 HydrophobicContact CB-CD2 4.14Å; W85-Y89 HydrophobicContact CB-CG 4.28Å; W85-Y89 AromaticContact CE3-CD2 3.79Å; W85-Y89 HydrophobicContact CE3-CD2 3.79Å; W85-Y89 AromaticContact CE3-CE2 3.61Å; W85-Y89 HydrophobicContact CE3-CE2 3.61Å; W85-Y89 HydrophobicContact CE3-CG 4.43Å; W85-Y89 HydrophobicContact CZ3-CE2 4.07Å; W85-Y89 WeakPolarHBondContact O-CB 3.42Å; W85-Y89 PolarHBondContact O-N 3.42Å; W85-G161 PolarHBondContact NE1-O 2.79Å; W85-Y162 HydrophobicContact CB-CD1 3.75Å; W85-Y162 HydrophobicContact CB-CE1 4.17Å; W85-Y162 HydrophobicContact CD2-CD1 4.12Å; W85-Y162 AromaticContact CD2-CE1 3.94Å; W85-Y162 HydrophobicContact CD2-CE1 3.94Å; W85-Y162 HydrophobicContact CE3-CE1 4.03Å; W85-Y162 AromaticContact CG-CD1 3.66Å; W85-Y162 HydrophobicContact CG-CD1 3.66Å; W85-Y162 AromaticContact CG-CE1 3.96Å; W85-Y162 HydrophobicContact CG-CE1 3.96Å
86	K	98.5	Very high	98.7	Very high	107 Å²	107	39.1 Å²	39.1	47%	0.465	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-45.8	-37.8	-171	-176.1	-179.2	-177.1	174.3	0	115.4	E82 R90	E82-K86 PolarHBondContact O-N 2.94Å; K86-R90 WeakPolarHBondContact O-CG 3.43Å
87	T	98.3	Very high	98.7	Very high	105 Å²	105	42.8 Å²	42.8	64%	0.644	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-72.2	-43	-176.3	-61.3	0	0	0	0	112.5	W85	W85-T87 PolarHBondContact O-N 3.27Å
88	N	98.7	Very high	98.7	Very high	63 Å²	63	48.4 Å²	48.4	34%	0.337	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-33.9	-167.4	-60.6	87.2	0	0	0	113	P56 C59 I61 W85 R90	P56-N88 HydrophobicContact CB-CB 4.03Å; P56-N88 HydrophobicContact CG-CB 4.04Å; C59-N88 PolarHBondContact SG-ND2 3.32Å; C59-N88 VanDerWaalsContact SG-ND2 3.37Å; I61-N88 HydrophobicContact CD1-CB 4.06Å; W85-N88 PolarHBondContact O-N 3.34Å; W85-N88 VanDerWaalsContact O-N 3.1Å; N88-R90 PolarHBondContact O-N 3.01Å
89	Y	98.8	Very high	98.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.			trans	-83.6	61.6	-176.5	-74.5	-101	0	0	0	111	P56 I61 E64 G71 T72 A80 W85 Y162	P56-Y89 HydrophobicContact CG-CD1 4.03Å; P56-Y89 HydrophobicContact CG-CD2 3.74Å; P56-Y89 HydrophobicContact CG-CE1 3.93Å; P56-Y89 HydrophobicContact CG-CE2 3.61Å; P56-Y89 HydrophobicContact CG-CG 3.93Å; I61-Y89 HydrophobicContact CD1-CD2 4.28Å; I61-Y89 HydrophobicContact CD1-CE2 3.86Å; E64-Y89 PolarHBondContact OE2-OH 2.97Å; G71-Y89 VanDerWaalsContact CA-OH 3.3Å; G71-Y89 WeakPolarHBondContact CA-OH 3.44Å; G71-Y89 WeakPolarHBondContact O-CE1 3.43Å; T72-Y89 PolarHBondContact N-OH 3.5Å; A80-Y89 WeakPolarHBondContact CB-O 3.29Å; A80-Y89 PolarHBondContact N-O 3Å; W85-Y89 HydrophobicContact CB-CD2 4.14Å; W85-Y89 HydrophobicContact CB-CG 4.28Å; W85-Y89 AromaticContact CE3-CD2 3.79Å; W85-Y89 HydrophobicContact CE3-CD2 3.79Å; W85-Y89 AromaticContact CE3-CE2 3.61Å; W85-Y89 HydrophobicContact CE3-CE2 3.61Å; W85-Y89 HydrophobicContact CE3-CG 4.43Å; W85-Y89 HydrophobicContact CZ3-CE2 4.07Å; W85-Y89 WeakPolarHBondContact O-CB 3.42Å; W85-Y89 PolarHBondContact O-N 3.42Å; Y89-Y162 HydrophobicContact CD1-CD1 4.47Å; Y89-Y162 AromaticContact CD1-CE1 3.56Å; Y89-Y162 HydrophobicContact CD1-CE1 3.56Å; Y89-Y162 AromaticContact CD1-CZ 3.67Å; Y89-Y162 WeakPolarHBondContact CD1-OH 3.36Å; Y89-Y162 HydrophobicContact CE1-CE1 4.03Å; Y89-Y162 AromaticContact CE1-CZ 3.98Å; Y89-Y162 VanDerWaalsContact CE1-OH 3.29Å; Y89-Y162 WeakPolarHBondContact CE1-OH 3.37Å; Y89-Y162 AromaticContact CG-CE1 3.9Å; Y89-Y162 HydrophobicContact CG-CE1 3.9Å
90	R	98.9	Very high	98.7	Very high	106 Å²	106	47.8 Å²	47.8	40%	0.4	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-110.4	47.1	180	-58.1	-172.9	61	71.6	12.5	111.1	D79 K86 N88 Y92 S93 Y94	D79-R90 WeakPolarHBondContact OD1-CA 3.4Å; D79-R90 IonicContact OD2-NH2 3.38Å; K86-R90 WeakPolarHBondContact O-CG 3.43Å; N88-R90 PolarHBondContact O-N 3.01Å; R90-Y92 VanDerWaalsContact C-N 3.33Å; R90-Y92 PolarHBondContact O-N 3.06Å; R90-S93 PolarHBondContact NH2-OG 2.87Å; R90-S93 PolarHBondContact O-N 2.77Å; R90-Y94 WeakPolarHBondContact O-CB 3.26Å; R90-Y94 PolarHBondContact O-N 3.47Å
91	M	98.9	Very high	98.7	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-69.3	-31.8	-170.3	-71.3	-54.5	-62.9	0	0	112.1	M1 D53 V78 Y94 V95	M1-M91 HydrophobicContact CE-SD 4.26Å; M1-M91 HydrophobicContact SD-CE 4.05Å; M1-M91 HydrophobicContact SD-SD 3.56Å; D53-M91 WeakPolarHBondContact O-CE 3.27Å; V78-M91 PolarHBondContact O-N 3.06Å; M91-Y94 HydrophobicContact CE-CD1 3.81Å; M91-Y94 HydrophobicContact CE-CE1 4.33Å; M91-Y94 PolarHBondContact O-N 3.33Å; M91-Y94 HydrophobicContact SD-CD1 4.41Å; M91-V95 WeakPolarHBondContact O-CG1 3.29Å; M91-V95 WeakPolarHBondContact O-CG2 3.47Å; M91-V95 PolarHBondContact O-N 2.87Å
92	Y	98.9	Very high	98.7	Very high	29 Å²	29	54.3 Å²	54.3	11%	0.114	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-55.9	173.8	178.1	-98.8	0	0	0	110.8	Y77 V78 D79 R90 Y94 V95 T96 K132 N133 Y173	Y77-Y92 WeakPolarHBondContact O-CB 3.32Å; V78-Y92 PolarHBondContact O-N 2.85Å; D79-Y92 WeakPolarHBondContact OD1-CB 3.27Å; D79-Y92 PolarHBondContact OD1-N 3.18Å; R90-Y92 VanDerWaalsContact C-N 3.33Å; R90-Y92 PolarHBondContact O-N 3.06Å; Y92-Y94 VanDerWaalsContact C-N 3.26Å; Y92-Y94 PolarHBondContact O-N 3.33Å; Y92-V95 WeakPolarHBondContact O-CG2 3.06Å; Y92-V95 PolarHBondContact O-N 3.05Å; Y92-T96 HydrophobicContact CD2-CG2 4.17Å; Y92-T96 HydrophobicContact CE1-CG2 4.47Å; Y92-T96 HydrophobicContact CE2-CG2 3.82Å; Y92-T96 PolarHBondContact O-N 3.37Å; Y92-T96 PolarHBondContact O-OG1 3.37Å; Y92-T96 VanDerWaalsContact O-OG1 3.07Å; Y92-K132 HydrophobicContact CD2-CD 4.48Å; Y92-K132 HydrophobicContact CE2-CB 4.39Å; Y92-K132 HydrophobicContact CE2-CD 3.67Å; Y92-K132 VanDerWaalsContact CE2-CE 3.45Å; Y92-K132 WeakPolarHBondContact OH-CB 3.38Å; Y92-K132 WeakPolarHBondContact OH-CE 3.23Å; Y92-N133 PolarHBondContact OH-ND2 3.34Å; Y92-Y173 HydrophobicContact CD2-CE1 4.05Å; Y92-Y173 AromaticContact CG-CE1 3.93Å; Y92-Y173 HydrophobicContact CG-CE1 3.93Å
93	S	98.9	Very high	98.7	Very high	33 Å²	33	51.1 Å²	51.1	23%	0.231	26%	0.256	C	S	.	.	H	α-helix	trans	-56.1	-41.4	176.8	-77.4	0	0	0	0	111.9	D79 R90 E97 E98	D79-S93 WeakPolarHBondContact OD1-CB 3.32Å; D79-S93 PolarHBondContact OD1-N 2.99Å; D79-S93 PolarHBondContact OD1-OG 3.26Å; D79-S93 WeakPolarHBondContact OD2-CB 3.41Å; D79-S93 PolarHBondContact OD2-OG 2.95Å; R90-S93 PolarHBondContact NH2-OG 2.87Å; R90-S93 PolarHBondContact O-N 2.77Å; S93-E97 WeakPolarHBondContact O-CA 3.45Å; S93-E97 WeakPolarHBondContact O-CB 3.24Å; S93-E97 PolarHBondContact O-N 2.93Å; S93-E98 PolarHBondContact O-N 2.79Å
94	Y	98.9	Very high	98.7	Very high	15 Å²	15	47.8 Å²	47.8	6%	0.059	24%	0.238	C	C	.	.	I	π-helix	trans	-61.4	-50.7	178.7	174.4	-109	0	0	0	112	M1 P52 R90 M91 Y92 E98 L99	M1-Y94 HydrophobicContact CE-CD1 4.18Å; M1-Y94 HydrophobicContact CE-CD2 3.93Å; M1-Y94 HydrophobicContact CE-CE1 4.28Å; M1-Y94 HydrophobicContact CE-CE2 4.05Å; M1-Y94 HydrophobicContact CE-CG 4Å; M1-Y94 HydrophobicContact SD-CE1 4.41Å; P52-Y94 HydrophobicContact CB-CE1 3.9Å; R90-Y94 WeakPolarHBondContact O-CB 3.26Å; R90-Y94 PolarHBondContact O-N 3.47Å; M91-Y94 HydrophobicContact CE-CD1 3.81Å; M91-Y94 HydrophobicContact CE-CE1 4.33Å; M91-Y94 PolarHBondContact O-N 3.33Å; M91-Y94 HydrophobicContact SD-CD1 4.41Å; Y92-Y94 VanDerWaalsContact C-N 3.26Å; Y92-Y94 PolarHBondContact O-N 3.33Å; Y94-E98 HydrophobicContact CD2-CB 4.23Å; Y94-E98 HydrophobicContact CD2-CG 4.4Å; Y94-E98 PolarHBondContact O-N 2.91Å; Y94-L99 HydrophobicContact CD2-CB 4.43Å; Y94-L99 HydrophobicContact CE1-CB 4.36Å; Y94-L99 HydrophobicContact CE1-CD2 4.13Å; Y94-L99 HydrophobicContact CE2-CB 4.1Å; Y94-L99 VanDerWaalsContact O-CB 3.25Å; Y94-L99 WeakPolarHBondContact O-CB 3.32Å; Y94-L99 PolarHBondContact O-N 3.04Å
95	V	98.9	Very high	98.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	25%	0.249	C	C	.	.	I	π-helix	trans	-76.2	-26.3	-176	-59.8	0	0	0	0	113.7	L22 P52 Y77 M91 Y92 P100	L22-V95 HydrophobicContact CD2-CB 4.46Å; L22-V95 HydrophobicContact CD2-CG1 4.03Å; P52-V95 HydrophobicContact CG-CG1 4.33Å; Y77-V95 HydrophobicContact CD1-CG1 4.02Å; Y77-V95 HydrophobicContact CD1-CG2 4.36Å; Y77-V95 HydrophobicContact CE1-CG1 4.16Å; M91-V95 WeakPolarHBondContact O-CG1 3.29Å; M91-V95 WeakPolarHBondContact O-CG2 3.47Å; M91-V95 PolarHBondContact O-N 2.87Å; Y92-V95 WeakPolarHBondContact O-CG2 3.06Å; Y92-V95 PolarHBondContact O-N 3.05Å; V95-P100 WeakPolarHBondContact O-CD 3.11Å; V95-P100 VanDerWaalsContact O-CG 3.27Å; V95-P100 WeakPolarHBondContact O-CG 3.31Å
96	T	98.9	Very high	98.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	27%	0.273	C	S	.	.	I	π-helix	trans	-92.4	-32.6	179.9	66.1	0	0	0	0	112.9	Y92 P100 C129 K136	Y92-T96 HydrophobicContact CD2-CG2 4.17Å; Y92-T96 HydrophobicContact CE1-CG2 4.47Å; Y92-T96 HydrophobicContact CE2-CG2 3.82Å; Y92-T96 PolarHBondContact O-N 3.37Å; Y92-T96 PolarHBondContact O-OG1 3.37Å; Y92-T96 VanDerWaalsContact O-OG1 3.07Å; T96-P100 WeakPolarHBondContact O-CG 3.39Å; T96-C129 HydrophobicContact CG2-CB 4.22Å; T96-K136 WeakPolarHBondContact O-CE 3.33Å; T96-K136 PolarHBondContact O-NZ 3.49Å
97	E	98.8	Very high	98.8	Very high	77 Å²	77	50.4 Å²	50.4	36%	0.36	26%	0.263	S	S	.	.	I	π-helix	trans	-115.2	-65.6	-172.7	-54.5	-48.9	130.1	0	0	113.2	S93 P100 Q101 K136	S93-E97 WeakPolarHBondContact O-CA 3.45Å; S93-E97 WeakPolarHBondContact O-CB 3.24Å; S93-E97 PolarHBondContact O-N 2.93Å; E97-P100 WeakPolarHBondContact O-CD 3.47Å; E97-Q101 WeakPolarHBondContact O-CB 3.48Å; E97-Q101 WeakPolarHBondContact O-CG 3.45Å; E97-Q101 PolarHBondContact O-N 3.18Å; E97-Q101 VanDerWaalsContact O-N 3.12Å; E97-K136 IonicContact OE1-NZ 3.11Å; E97-K136 PolarHBondContact OE1-NZ 3.27Å; E97-K136 IonicContact OE2-NZ 2.65Å; E97-K136 PolarHBondContact OE2-NZ 2.71Å
98	E	98.9	Very high	98.7	Very high	119 Å²	119	47.3 Å²	47.3	56%	0.556	25%	0.245	S	C	*	.	I	π-helix	trans	-64.3	-51.5	-169.8	-175.4	-175.6	171.4	0	0	112.2	S93 Y94 Q101 L102	S93-E98 PolarHBondContact O-N 2.79Å; Y94-E98 HydrophobicContact CD2-CB 4.23Å; Y94-E98 HydrophobicContact CD2-CG 4.4Å; Y94-E98 PolarHBondContact O-N 2.91Å; E98-Q101 PolarHBondContact O-N 3.22Å; E98-L102 PolarHBondContact O-N 2.85Å
99	L	98.8	Very high	98.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-46.8	-177	179.1	67.3	0	0	0	111.7	F3 Y20 I50 P52 Y94 Q101 L102 I103	F3-L99 HydrophobicContact CB-CD1 4.43Å; F3-L99 HydrophobicContact CD1-CD1 4Å; F3-L99 HydrophobicContact CD2-CD1 4.24Å; F3-L99 HydrophobicContact CE1-CD1 4.31Å; F3-L99 HydrophobicContact CG-CD1 3.97Å; Y20-L99 HydrophobicContact CD1-CD2 4.34Å; Y20-L99 HydrophobicContact CE1-CD2 4.06Å; Y20-L99 HydrophobicContact CE1-CG 4.17Å; I50-L99 HydrophobicContact CG2-CD2 4.16Å; P52-L99 HydrophobicContact CB-CD2 3.65Å; P52-L99 HydrophobicContact CG-CD2 3.88Å; Y94-L99 HydrophobicContact CD2-CB 4.43Å; Y94-L99 HydrophobicContact CE1-CB 4.36Å; Y94-L99 HydrophobicContact CE1-CD2 4.13Å; Y94-L99 HydrophobicContact CE2-CB 4.1Å; Y94-L99 VanDerWaalsContact O-CB 3.25Å; Y94-L99 WeakPolarHBondContact O-CB 3.32Å; Y94-L99 PolarHBondContact O-N 3.04Å; L99-Q101 VanDerWaalsContact C-N 3.3Å; L99-Q101 PolarHBondContact O-N 3.3Å; L99-L102 PolarHBondContact O-N 2.68Å; L99-L102 VanDerWaalsContact O-N 3.17Å; L99-I103 HydrophobicContact CD1-CD1 4.36Å; L99-I103 HydrophobicContact CD1-CG1 4.07Å; L99-I103 HydrophobicContact CG-CG1 4.25Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.36Å; L99-I103 PolarHBondContact O-N 3.05Å
100	P	98.8	Very high	98.7	Very high	7 Å²	7	46.1 Å²	46.1	5%	0.045	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-37.7	174.3	-28.7	38.6	0	0	0	114.2	Y20 V95 T96 E97 I103 N104 M114	Y20-P100 HydrophobicContact CE1-CG 4.35Å; Y20-P100 WeakPolarHBondContact OH-CA 3.34Å; V95-P100 WeakPolarHBondContact O-CD 3.11Å; V95-P100 VanDerWaalsContact O-CG 3.27Å; V95-P100 WeakPolarHBondContact O-CG 3.31Å; T96-P100 WeakPolarHBondContact O-CG 3.39Å; E97-P100 WeakPolarHBondContact O-CD 3.47Å; P100-I103 PolarHBondContact O-N 3.41Å; P100-N104 WeakPolarHBondContact O-CB 3.3Å; P100-N104 PolarHBondContact O-N 3.36Å; P100-N104 PolarHBondContact O-ND2 2.99Å; P100-N104 VanDerWaalsContact O-ND2 3.11Å; P100-M114 HydrophobicContact CB-SD 4.32Å; P100-M114 HydrophobicContact CG-SD 4.33Å
101	Q	98.8	Very high	98.6	Very high	124 Å²	124	43.9 Å²	43.9	58%	0.579	24%	0.238	S	C	*	.	H	α-helix	trans	-62.9	-45.9	174.3	-72.3	170.2	17.7	0	0	111.5	E97 E98 L99 I103 N104 A105	E97-Q101 WeakPolarHBondContact O-CB 3.48Å; E97-Q101 WeakPolarHBondContact O-CG 3.45Å; E97-Q101 PolarHBondContact O-N 3.18Å; E97-Q101 VanDerWaalsContact O-N 3.12Å; E98-Q101 PolarHBondContact O-N 3.22Å; L99-Q101 VanDerWaalsContact C-N 3.3Å; L99-Q101 PolarHBondContact O-N 3.3Å; Q101-I103 VanDerWaalsContact C-N 3.35Å; Q101-I103 PolarHBondContact O-N 2.7Å; Q101-N104 PolarHBondContact O-N 3.14Å; Q101-A105 WeakPolarHBondContact O-CB 3.43Å; Q101-A105 PolarHBondContact O-N 3.22Å
102	L	98.8	Very high	98.5	Very high	73 Å²	73	50.7 Å²	50.7	38%	0.382	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-42.8	177	-173.9	69.8	0	0	0	111.7	F3 E98 L99 A105 N106	F3-L102 HydrophobicContact CE1-CD2 3.67Å; F3-L102 HydrophobicContact CZ-CD2 3.76Å; E98-L102 PolarHBondContact O-N 2.85Å; L99-L102 PolarHBondContact O-N 2.68Å; L99-L102 VanDerWaalsContact O-N 3.17Å; L102-A105 PolarHBondContact O-N 3.02Å; L102-N106 WeakPolarHBondContact CD1-ND2 3.3Å; L102-N106 WeakPolarHBondContact O-CB 3.48Å; L102-N106 PolarHBondContact O-N 3.13Å; L102-N106 PolarHBondContact O-ND2 3.37Å
103	I	98.8	Very high	98.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-48.2	178.9	-67.9	-64.2	0	0	0	110.9	F3 V5 Y20 I50 L99 P100 Q101 A105 N106 F107 V109	F3-I103 HydrophobicContact CD2-CD1 4.3Å; F3-I103 HydrophobicContact CE2-CD1 3.9Å; V5-I103 HydrophobicContact CG2-CD1 3.76Å; Y20-I103 HydrophobicContact CE1-CG1 4.43Å; Y20-I103 WeakPolarHBondContact OH-CB 3.43Å; I50-I103 HydrophobicContact CD1-CG2 4.31Å; I50-I103 HydrophobicContact CG1-CD1 3.89Å; I50-I103 HydrophobicContact CG1-CG1 4.12Å; I50-I103 HydrophobicContact CG1-CG2 4.24Å; I50-I103 HydrophobicContact CG2-CD1 3.99Å; I50-I103 HydrophobicContact CG2-CG1 4.25Å; L99-I103 HydrophobicContact CD1-CD1 4.36Å; L99-I103 HydrophobicContact CD1-CG1 4.07Å; L99-I103 HydrophobicContact CG-CG1 4.25Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.36Å; L99-I103 PolarHBondContact O-N 3.05Å; P100-I103 PolarHBondContact O-N 3.41Å; Q101-I103 VanDerWaalsContact C-N 3.35Å; Q101-I103 PolarHBondContact O-N 2.7Å; I103-A105 PolarHBondContact O-N 2.81Å; I103-N106 PolarHBondContact O-N 2.71Å; I103-F107 HydrophobicContact CD1-CD2 3.8Å; I103-F107 HydrophobicContact CD1-CE2 3.82Å; I103-F107 HydrophobicContact CG2-CD2 4.47Å; I103-F107 PolarHBondContact O-N 3.2Å; I103-V109 HydrophobicContact CG2-CB 4.23Å; I103-V109 HydrophobicContact CG2-CG1 4.39Å; I103-V109 HydrophobicContact CG2-CG2 3.76Å
104	N	98.3	Very high	98.4	Very high	57 Å²	57	51.4 Å²	51.4	31%	0.305	27%	0.268	S	S	.	.	H	α-helix	trans	-63.3	-30	-179.9	-69.8	-23	0	0	0	113	P100 Q101 P111	P100-N104 WeakPolarHBondContact O-CB 3.3Å; P100-N104 PolarHBondContact O-N 3.36Å; P100-N104 PolarHBondContact O-ND2 2.99Å; P100-N104 VanDerWaalsContact O-ND2 3.11Å; Q101-N104 PolarHBondContact O-N 3.14Å; N104-P111 HydrophobicContact CB-CG 4.19Å
105	A	98.4	Very high	98.4	Very high	79 Å²	79	50.7 Å²	50.7	65%	0.653	27%	0.265	S	S	*	.	H	α-helix	trans	-79.6	-27.7	179.5	0	0	0	0	0	113.6	Q101 L102 I103	Q101-A105 WeakPolarHBondContact O-CB 3.43Å; Q101-A105 PolarHBondContact O-N 3.22Å; L102-A105 PolarHBondContact O-N 3.02Å; I103-A105 PolarHBondContact O-N 2.81Å
106	N	98.7	Very high	98.4	Very high	107 Å²	107	50.6 Å²	50.6	57%	0.572	27%	0.265	S	S	*	.	H	α-helix	trans	-117.6	-14.8	-167.2	-67.1	-82	0	0	0	115	L102 I103	L102-N106 WeakPolarHBondContact CD1-ND2 3.3Å; L102-N106 WeakPolarHBondContact O-CB 3.48Å; L102-N106 PolarHBondContact O-N 3.13Å; L102-N106 PolarHBondContact O-ND2 3.37Å; I103-N106 PolarHBondContact O-N 2.71Å
107	F	98.6	Very high	98.4	Very high	60 Å²	60	50.6 Å²	50.6	26%	0.263	26%	0.264	S	S	.	.	S	Bend	trans	-124.4	157.8	-176.3	-63.2	-82.4	0	0	0	111.6	F3 V5 L7 I103 V109	F3-F107 HydrophobicContact CE2-CE2 4.24Å; F3-F107 HydrophobicContact CE2-CZ 4.48Å; V5-F107 HydrophobicContact CB-CE1 4.22Å; V5-F107 HydrophobicContact CB-CZ 4.26Å; V5-F107 HydrophobicContact CG1-CD1 4.06Å; V5-F107 HydrophobicContact CG1-CE1 4.06Å; V5-F107 HydrophobicContact CG1-CG 4.41Å; V5-F107 HydrophobicContact CG1-CZ 4.43Å; V5-F107 HydrophobicContact CG2-CE1 4.3Å; V5-F107 HydrophobicContact CG2-CE2 4.04Å; V5-F107 HydrophobicContact CG2-CZ 3.86Å; L7-F107 HydrophobicContact CD1-CD1 4.29Å; L7-F107 HydrophobicContact CD2-CD1 4.02Å; I103-F107 HydrophobicContact CD1-CD2 3.8Å; I103-F107 HydrophobicContact CD1-CE2 3.82Å; I103-F107 HydrophobicContact CG2-CD2 4.47Å; I103-F107 PolarHBondContact O-N 3.2Å; F107-V109 HydrophobicContact CB-CG2 4.13Å; F107-V109 PolarHBondContact O-N 3.04Å
108	P	98	Very high	98.4	Very high	40 Å²	40	46.9 Å²	46.9	26%	0.26	25%	0.247	S	C	.	.	S	Bend	trans	-74.2	64	176.9	33.2	-38.3	0	0	0	111.1	L7 A11 K15 C16	L7-P108 HydrophobicContact CD2-CG 4.46Å; A11-P108 HydrophobicContact CB-CG 3.74Å; K15-P108 CarbonylContact C-O 3.52Å; K15-P108 VanDerWaalsContact CA-O 3.29Å; K15-P108 WeakPolarHBondContact CA-O 3.47Å; C16-P108 PolarHBondContact N-O 3.03Å
109	V	98.5	Very high	98.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.7	179.2	171.6	0	0	0	0	110.1	K15 C16 A18 V48 I103 F107 P111	K15-V109 WeakPolarHBondContact CD-O 3.44Å; C16-V109 CarbonylContact O-C 3.58Å; C16-V109 VanDerWaalsContact O-CA 3.28Å; C16-V109 WeakPolarHBondContact O-CA 3.29Å; A18-V109 HydrophobicContact CB-CG1 3.54Å; A18-V109 HydrophobicContact CB-CG2 4.4Å; V48-V109 HydrophobicContact CB-CG2 4Å; V48-V109 HydrophobicContact CG1-CG2 3.8Å; V48-V109 HydrophobicContact CG2-CG2 4.07Å; I103-V109 HydrophobicContact CG2-CB 4.23Å; I103-V109 HydrophobicContact CG2-CG1 4.39Å; I103-V109 HydrophobicContact CG2-CG2 3.76Å; F107-V109 HydrophobicContact CB-CG2 4.13Å; F107-V109 PolarHBondContact O-N 3.04Å; V109-P111 WeakPolarHBondContact O-CD 3.43Å
110	D	97.9	Very high	98.4	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	110.2	167.9	-174.2	-19	0	0	0	110.3	K15 C16 Q112 R113	K15-D110 HydrophobicContact CB-CB 4.41Å; C16-D110 PolarHBondContact O-N 3.32Å; D110-Q112 PolarHBondContact O-N 2.87Å; D110-Q112 PolarHBondContact OD1-N 2.93Å; D110-R113 HydrophobicContact CB-CB 4.38Å; D110-R113 PolarHBondContact O-N 3.19Å; D110-R113 VanDerWaalsContact O-N 3.13Å; D110-R113 IonicContact OD2-CZ 3.66Å; D110-R113 IonicContact OD2-NE 2.86Å; D110-R113 PolarHBondContact OD2-NE 3.12Å; D110-R113 IonicContact OD2-NH2 3.96Å; D110-R113 PolarHBondContact OD2-NH2 2.79Å; D110-R113 VanDerWaalsContact OD2-NH2 3.11Å
111	P	96.1	Very high	98.4	Very high	59 Å²	59	41.5 Å²	41.5	38%	0.383	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-17.3	-175.9	-23.6	35.7	0	0	0	114.5	N104 V109	N104-P111 HydrophobicContact CB-CG 4.19Å; V109-P111 WeakPolarHBondContact O-CD 3.43Å
112	Q	97.3	Very high	98.4	Very high	145 Å²	145	35.6 Å²	35.6	68%	0.678	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	-8.4	-177.6	-60.2	-59.6	-43.3	0	0	113.1	D110 K138	D110-Q112 PolarHBondContact O-N 2.87Å; D110-Q112 PolarHBondContact OD1-N 2.93Å; Q112-K138 WeakPolarHBondContact O-CE 3.45Å
113	R	97.9	Very high	98.4	Very high	60 Å²	60	32.1 Å²	32.1	23%	0.226	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	85.3	-175.8	-64.5	-171.1	-64.1	143.2	2.2	110.3	P17 A18 D110 L251	P17-R113 WeakPolarHBondContact CA-O 3.44Å; P17-R113 HydrophobicContact CB-CB 4.07Å; P17-R113 HydrophobicContact CG-CB 4.42Å; P17-R113 VanDerWaalsContact CG-NH1 3.26Å; A18-R113 PolarHBondContact N-O 3.19Å; D110-R113 HydrophobicContact CB-CB 4.38Å; D110-R113 PolarHBondContact O-N 3.19Å; D110-R113 VanDerWaalsContact O-N 3.13Å; D110-R113 IonicContact OD2-CZ 3.66Å; D110-R113 IonicContact OD2-NE 2.86Å; D110-R113 PolarHBondContact OD2-NE 3.12Å; D110-R113 IonicContact OD2-NH2 3.96Å; D110-R113 PolarHBondContact OD2-NH2 2.79Å; D110-R113 VanDerWaalsContact OD2-NH2 3.11Å; R113-L251 HydrophobicContact CB-CD2 4.16Å; R113-L251 WeakPolarHBondContact CD-O 3.35Å; R113-L251 PolarHBondContact NH1-O 3.45Å
114	M	98.3	Very high	98.4	Very high	16 Å²	16	32.1 Å²	32.1	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.7	178.9	-176.3	170	59.4	0	0	110.9	A18 Y20 P100 K136 Y137 K138	A18-M114 CarbonylContact O-C 3.56Å; A18-M114 VanDerWaalsContact O-CA 3.28Å; A18-M114 WeakPolarHBondContact O-CA 3.28Å; Y20-M114 HydrophobicContact CD2-CG 3.59Å; Y20-M114 HydrophobicContact CD2-SD 3.6Å; Y20-M114 HydrophobicContact CE2-CG 3.53Å; Y20-M114 HydrophobicContact CE2-SD 3.15Å; Y20-M114 WeakPolarHBondContact CE2-SD 3.5Å; P100-M114 HydrophobicContact CB-SD 4.32Å; P100-M114 HydrophobicContact CG-SD 4.33Å; M114-K136 HydrophobicContact CE-CD 4.33Å; M114-K136 HydrophobicContact CE-CG 3.7Å; M114-Y137 HydrophobicContact CE-CD1 4.01Å; M114-Y137 HydrophobicContact CE-CE1 3.56Å; M114-Y137 HydrophobicContact CG-CD1 3.96Å; M114-Y137 HydrophobicContact CG-CE1 4Å; M114-Y137 CarbonylContact O-C 3.57Å; M114-Y137 VanDerWaalsContact O-CA 3.26Å; M114-Y137 WeakPolarHBondContact O-CA 3.39Å; M114-Y137 HydrophobicContact SD-CD1 4.47Å; M114-Y137 HydrophobicContact SD-CE1 3.96Å; M114-K138 PolarHBondContact O-N 2.85Å
115	S	98.8	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	166.8	167.6	-71	0	0	0	0	110.3	A18 Y20 S139 L251	A18-S115 PolarHBondContact O-N 3.26Å; Y20-S115 PolarHBondContact N-O 3.14Å; S115-S139 VanDerWaalsContact CB-O 3.29Å; S115-S139 WeakPolarHBondContact CB-O 3.07Å; S115-S139 WeakPolarHBondContact CB-OG 3.42Å; S115-S139 PolarHBondContact OG-N 2.67Å; S115-S139 PolarHBondContact OG-O 3.45Å; S115-S139 PolarHBondContact OG-OG 2.95Å; S115-L251 WeakPolarHBondContact OG-CD2 3.43Å
116	I	98.9	Very high	98.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.3	-176.7	-164.7	161.6	0	0	0	111.4	Y20 L22 A126 C129 A130 Y137 S139 V140 S141	Y20-I116 CarbonylContact O-C 3.53Å; Y20-I116 WeakPolarHBondContact O-CA 3.43Å; L22-I116 HydrophobicContact CD1-CD1 3.85Å; L22-I116 HydrophobicContact CD1-CG1 4.35Å; L22-I116 HydrophobicContact CG-CD1 4.12Å; L22-I116 HydrophobicContact CG-CG1 4.26Å; I116-A126 HydrophobicContact CG1-CB 4.03Å; I116-A126 HydrophobicContact CG2-CB 4.3Å; I116-C129 HydrophobicContact CD1-CB 3.9Å; I116-A130 HydrophobicContact CG2-CB 4.36Å; I116-Y137 HydrophobicContact CB-CD1 3.7Å; I116-Y137 HydrophobicContact CB-CE1 3.73Å; I116-Y137 HydrophobicContact CB-CG 4.41Å; I116-Y137 HydrophobicContact CD1-CE1 3.97Å; I116-Y137 HydrophobicContact CG1-CE1 4.44Å; I116-Y137 HydrophobicContact CG2-CD1 3.68Å; I116-Y137 HydrophobicContact CG2-CD2 4.32Å; I116-Y137 HydrophobicContact CG2-CE1 3.94Å; I116-Y137 HydrophobicContact CG2-CG 3.87Å; I116-S139 PolarHBondContact N-O 2.77Å; I116-V140 HydrophobicContact CG2-CB 4.45Å; I116-V140 HydrophobicContact CG2-CG2 4.08Å; I116-V140 VanDerWaalsContact O-CA 3.28Å; I116-V140 WeakPolarHBondContact O-CA 3.28Å; I116-S141 PolarHBondContact O-N 3.41Å
117	F	98.9	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	170.8	173.5	74.8	-45.4	0	0	0	110.9	L19 Y20 W21 L22 F32 S141 F143 I240 H243 I244 H247	L19-F117 HydrophobicContact CD1-CD1 3.73Å; L19-F117 HydrophobicContact CD1-CE1 4.07Å; L19-F117 HydrophobicContact CD2-CD1 4.2Å; L19-F117 HydrophobicContact CD2-CE1 3.76Å; L19-F117 HydrophobicContact CD2-CZ 4.17Å; L19-F117 HydrophobicContact CG-CD1 3.84Å; L19-F117 HydrophobicContact CG-CE1 3.63Å; Y20-F117 VanDerWaalsContact O-CD1 3.29Å; Y20-F117 WeakPolarHBondContact O-CD1 3.16Å; Y20-F117 PolarHBondContact O-N 3.11Å; Y20-F117 VanDerWaalsContact O-O 3.06Å; W21-F117 CarbonylContact C-O 3.56Å; W21-F117 VanDerWaalsContact CA-O 3.31Å; W21-F117 WeakPolarHBondContact CA-O 3.17Å; W21-F117 HydrophobicContact CB-CD1 4.24Å; W21-F117 HydrophobicContact CB-CE1 3.65Å; W21-F117 HydrophobicContact CB-CZ 4.2Å; W21-F117 HydrophobicContact CD2-CE1 4.36Å; W21-F117 HydrophobicContact CD2-CZ 4.23Å; W21-F117 AromaticContact CE3-CD1 3.93Å; W21-F117 HydrophobicContact CE3-CD1 3.93Å; W21-F117 AromaticContact CE3-CD2 3.55Å; W21-F117 HydrophobicContact CE3-CD2 3.55Å; W21-F117 AromaticContact CE3-CE1 3.67Å; W21-F117 HydrophobicContact CE3-CE1 3.67Å; W21-F117 AromaticContact CE3-CE2 3.29Å; W21-F117 HydrophobicContact CE3-CE2 3.29Å; W21-F117 AromaticContact CE3-CG 3.86Å; W21-F117 HydrophobicContact CE3-CG 3.86Å; W21-F117 AromaticContact CE3-CZ 3.35Å; W21-F117 HydrophobicContact CE3-CZ 3.35Å; W21-F117 HydrophobicContact CG-CE1 4.41Å; W21-F117 AromaticContact CZ3-CD2 3.66Å; W21-F117 HydrophobicContact CZ3-CD2 3.66Å; W21-F117 AromaticContact CZ3-CE2 3.48Å; W21-F117 HydrophobicContact CZ3-CE2 3.48Å; W21-F117 VanDerWaalsContact CZ3-CE2 3.48Å; W21-F117 HydrophobicContact CZ3-CG 4.33Å; W21-F117 HydrophobicContact CZ3-CZ 4.02Å; L22-F117 PolarHBondContact N-O 3.11Å; F32-F117 HydrophobicContact CE2-CZ 4.23Å; F32-F117 HydrophobicContact CZ-CZ 4Å; F117-S141 WeakPolarHBondContact CA-O 3.35Å; F117-S141 WeakPolarHBondContact CB-O 3.37Å; F117-S141 WeakPolarHBondContact CB-OG 3.47Å; F117-F143 HydrophobicContact CD2-CE2 4.27Å; F117-F143 HydrophobicContact CE2-CE2 4.33Å; F117-I240 HydrophobicContact CE2-CD1 3.7Å; F117-I240 HydrophobicContact CZ-CD1 4.13Å; F117-H243 HydrophobicContact CD2-CB 4.19Å; F117-H243 HydrophobicContact CE2-CB 4.24Å; F117-I244 HydrophobicContact CZ-CD1 4.07Å; F117-H247 WeakPolarHBondContact CB-NE2 3.31Å; F117-H247 AromaticContact CG-NE2 3.73Å
118	G	98.9	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-179.5	179.1	0	0	0	0	0	114.3	L22 G123 S141 A142 F143	L22-G118 CarbonylContact O-C 3.58Å; L22-G118 WeakPolarHBondContact O-CA 3.5Å; G118-G123 VanDerWaalsContact C-N 3.35Å; G118-G123 WeakPolarHBondContact O-CA 3.26Å; G118-S141 PolarHBondContact N-O 2.98Å; G118-A142 CarbonylContact O-C 3.41Å; G118-A142 VanDerWaalsContact O-CA 3.32Å; G118-A142 WeakPolarHBondContact O-CA 3.01Å; G118-F143 PolarHBondContact O-N 3.4Å
119	H	98.9	Very high	98.5	Very high	9 Å²	9	15.8 Å²	15.8	4%	0.042	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.2	-177.7	171.5	-115.7	0	0	0	112.4	W21 L22 G24 M121 G122 G123 F143 H231 I236	W21-H119 HydrophobicContact CH2-CB 3.55Å; W21-H119 HydrophobicContact CZ2-CB 3.48Å; W21-H119 VanDerWaalsContact CZ2-CB 3.48Å; L22-H119 PolarHBondContact O-N 2.74Å; G24-H119 VanDerWaalsContact CA-O 3.3Å; G24-H119 WeakPolarHBondContact CA-O 3.31Å; G24-H119 PolarHBondContact N-O 2.79Å; H119-M121 PolarHBondContact O-N 3.38Å; H119-G122 VanDerWaalsContact O-CA 3.29Å; H119-G122 WeakPolarHBondContact O-CA 3.25Å; H119-G122 PolarHBondContact O-N 3.14Å; H119-G123 PolarHBondContact O-N 3.25Å; H119-F143 CarbonylContact C-O 3.42Å; H119-F143 VanDerWaalsContact CA-O 3.3Å; H119-F143 WeakPolarHBondContact CA-O 3.33Å; H119-F143 HydrophobicContact CB-CB 4.29Å; H119-F143 PolarHBondContact CD2-O 3.04Å; H119-H231 AromaticContact CE1-CD2 3.41Å; H119-H231 PolarHBondContact CE1-CD2 2.85Å; H119-H231 VanDerWaalsContact CE1-CD2 3.41Å; H119-H231 AromaticContact CE1-NE2 3.37Å; H119-H231 PolarHBondContact CE1-NE2 2.72Å; H119-H231 PolarHBondContact CE1-O 3.15Å; H119-H231 VanDerWaalsContact CE1-O 3.29Å; H119-H231 AromaticContact NE2-CD2 3.5Å; H119-H231 PolarHBondContact NE2-CD2 3.09Å; H119-H231 AromaticContact NE2-CE1 3.61Å; H119-H231 AromaticContact NE2-CG 3.78Å; H119-H231 AromaticContact NE2-ND1 3.83Å; H119-H231 AromaticContact NE2-NE2 3.41Å; H119-H231 PolarHBondContact NE2-NE2 2.98Å; H119-H231 PolarHBondContact NE2-O 3.25Å; H119-H231 VanDerWaalsContact NE2-O 3.17Å; H119-I236 HydrophobicContact CB-CD1 3.92Å
120	S	98.8	Very high	98.6	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.021	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-118.5	172.4	-168.6	0	0	0	0	112.7	G122 G123 H124 F143 A144 I146 H231	S120-G122 PolarHBondContact O-N 3.21Å; S120-G123 WeakPolarHBondContact O-CA 3.23Å; S120-G123 PolarHBondContact O-N 3.15Å; S120-H124 PolarHBondContact O-N 3.25Å; S120-F143 PolarHBondContact N-O 3.37Å; S120-A144 WeakPolarHBondContact CA-O 3.47Å; S120-A144 PolarHBondContact N-O 3.21Å; S120-I146 PolarHBondContact O-N 3.31Å; S120-H231 WeakPolarHBondContact CB-NE2 3.39Å; S120-H231 PolarHBondContact OG-CE1 2.99Å; S120-H231 PolarHBondContact OG-NE2 3.47Å
121	M	98.9	Very high	98.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-53.8	-34.2	167.6	-178.2	-169.6	75	0	0	112.6	L25 T54 F76 Y77 H119 H124 G125 I146	L25-M121 HydrophobicContact CD2-SD 3.61Å; L25-M121 HydrophobicContact CG-CB 4.2Å; L25-M121 HydrophobicContact CG-SD 4.23Å; T54-M121 HydrophobicContact CG2-CE 4.29Å; F76-M121 HydrophobicContact CB-SD 4.48Å; F76-M121 HydrophobicContact CD1-CG 4.27Å; F76-M121 HydrophobicContact CD2-CG 4.35Å; F76-M121 HydrophobicContact CD2-SD 3.77Å; F76-M121 HydrophobicContact CE1-CG 4.49Å; F76-M121 HydrophobicContact CE2-SD 4.1Å; F76-M121 HydrophobicContact CG-CG 4.18Å; F76-M121 HydrophobicContact CG-SD 4.1Å; F76-M121 PolarHBondContact N-SD 3.29Å; Y77-M121 HydrophobicContact CD2-CE 4.46Å; Y77-M121 HydrophobicContact CD2-CG 4.13Å; Y77-M121 VanDerWaalsContact CD2-O 3.23Å; Y77-M121 WeakPolarHBondContact CD2-O 3.36Å; Y77-M121 HydrophobicContact CE2-CE 3.74Å; Y77-M121 HydrophobicContact CE2-CG 4.02Å; Y77-M121 VanDerWaalsContact CE2-O 3.31Å; Y77-M121 WeakPolarHBondContact CE2-O 3.46Å; H119-M121 PolarHBondContact O-N 3.38Å; M121-H124 VanDerWaalsContact O-CB 3.29Å; M121-H124 WeakPolarHBondContact O-CB 3.45Å; M121-G125 PolarHBondContact O-N 3.33Å; M121-I146 HydrophobicContact CB-CD1 4.25Å
122	G	98.9	Very high	98.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-73.9	-31.6	172.8	0	0	0	0	0	113.9	L22 S23 Y77 H119 S120 H124 G125 A126	L22-G122 WeakPolarHBondContact CB-O 3.19Å; L22-G122 WeakPolarHBondContact O-CA 3.4Å; S23-G122 WeakPolarHBondContact O-CA 3.28Å; S23-G122 PolarHBondContact O-N 3.03Å; Y77-G122 VanDerWaalsContact CE2-CA 3.44Å; H119-G122 VanDerWaalsContact O-CA 3.29Å; H119-G122 WeakPolarHBondContact O-CA 3.25Å; H119-G122 PolarHBondContact O-N 3.14Å; S120-G122 PolarHBondContact O-N 3.21Å; G122-H124 VanDerWaalsContact C-N 3.33Å; G122-G125 PolarHBondContact O-N 3.29Å; G122-A126 WeakPolarHBondContact O-CB 3.37Å; G122-A126 PolarHBondContact O-N 2.95Å
123	G	98.9	Very high	98.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.3	-41.6	171.1	0	0	0	0	0	110.9	G118 H119 S120 A126 L127	G118-G123 VanDerWaalsContact C-N 3.35Å; G118-G123 WeakPolarHBondContact O-CA 3.26Å; H119-G123 PolarHBondContact O-N 3.25Å; S120-G123 WeakPolarHBondContact O-CA 3.23Å; S120-G123 PolarHBondContact O-N 3.15Å; G123-A126 PolarHBondContact O-N 3.5Å; G123-L127 WeakPolarHBondContact O-CG 3.12Å; G123-L127 PolarHBondContact O-N 2.95Å; G123-L127 VanDerWaalsContact O-N 3.08Å
124	H	98.9	Very high	98.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-54.6	-54.2	167.3	166.6	61.7	0	0	0	112.2	S120 M121 G122 A126 L127 I128 I146 Y173	S120-H124 PolarHBondContact O-N 3.25Å; M121-H124 VanDerWaalsContact O-CB 3.29Å; M121-H124 WeakPolarHBondContact O-CB 3.45Å; G122-H124 VanDerWaalsContact C-N 3.33Å; H124-A126 VanDerWaalsContact C-N 3.3Å; H124-A126 PolarHBondContact O-N 3.36Å; H124-L127 PolarHBondContact O-N 2.85Å; H124-I128 VanDerWaalsContact CE1-CG2 3.43Å; H124-I128 WeakPolarHBondContact CE1-CG2 3.44Å; H124-I128 WeakPolarHBondContact O-CG2 3.36Å; H124-I128 PolarHBondContact O-N 3.44Å; H124-I146 HydrophobicContact CB-CB 3.98Å; H124-I146 VanDerWaalsContact CB-O 3.31Å; H124-I146 WeakPolarHBondContact CB-O 3.41Å; H124-I146 PolarHBondContact ND1-O 3.38Å; H124-Y173 PolarHBondContact CE1-O 3.22Å
125	G	98.9	Very high	98.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-55	-43.3	177.7	0	0	0	0	0	112.9	M121 G122 I128 C129	M121-G125 PolarHBondContact O-N 3.33Å; G122-G125 PolarHBondContact O-N 3.29Å; G125-I128 WeakPolarHBondContact O-CG1 3.48Å; G125-C129 VanDerWaalsContact O-CB 3.26Å; G125-C129 WeakPolarHBondContact O-CB 3.44Å; G125-C129 PolarHBondContact O-N 3.32Å; G125-C129 PolarHBondContact O-SG 2.91Å
126	A	98.9	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65	-46.4	-179.1	0	0	0	0	0	111.5	I116 G122 G123 H124 C129 A130 V140	I116-A126 HydrophobicContact CG1-CB 4.03Å; I116-A126 HydrophobicContact CG2-CB 4.3Å; G122-A126 WeakPolarHBondContact O-CB 3.37Å; G122-A126 PolarHBondContact O-N 2.95Å; G123-A126 PolarHBondContact O-N 3.5Å; H124-A126 VanDerWaalsContact C-N 3.3Å; H124-A126 PolarHBondContact O-N 3.36Å; A126-C129 PolarHBondContact O-N 3.48Å; A126-A130 WeakPolarHBondContact O-CB 3.18Å; A126-A130 PolarHBondContact O-N 3.47Å; A126-V140 HydrophobicContact CB-CG2 4.25Å
127	L	98.9	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-48.7	177.8	-68.3	172.5	0	0	0	111.6	G123 H124 C129 A130 L131 V140 P145 A175 I189 F210	G123-L127 WeakPolarHBondContact O-CG 3.12Å; G123-L127 PolarHBondContact O-N 2.95Å; G123-L127 VanDerWaalsContact O-N 3.08Å; H124-L127 PolarHBondContact O-N 2.85Å; L127-C129 PolarHBondContact O-N 3.43Å; L127-A130 PolarHBondContact O-N 3.02Å; L127-L131 WeakPolarHBondContact O-CB 3.41Å; L127-L131 VanDerWaalsContact O-CG 3.23Å; L127-L131 WeakPolarHBondContact O-CG 3.18Å; L127-L131 PolarHBondContact O-N 3.19Å; L127-V140 HydrophobicContact CD2-CG2 4.14Å; L127-P145 HydrophobicContact CD1-CB 3.89Å; L127-P145 HydrophobicContact CD1-CG 4.25Å; L127-A175 HydrophobicContact CB-CB 3.81Å; L127-A175 HydrophobicContact CD1-CB 4.12Å; L127-I189 HydrophobicContact CD2-CG2 3.91Å; L127-F210 HydrophobicContact CD1-CE1 4.46Å; L127-F210 HydrophobicContact CD1-CZ 4.43Å; L127-F210 HydrophobicContact CD2-CE1 4.26Å; L127-F210 HydrophobicContact CD2-CZ 4.04Å
128	I	98.9	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.7	-35.5	-179	71.2	-178.5	0	0	0	112	H124 G125 L131 K132 Y173 A175 L178	H124-I128 VanDerWaalsContact CE1-CG2 3.43Å; H124-I128 WeakPolarHBondContact CE1-CG2 3.44Å; H124-I128 WeakPolarHBondContact O-CG2 3.36Å; H124-I128 PolarHBondContact O-N 3.44Å; G125-I128 WeakPolarHBondContact O-CG1 3.48Å; I128-L131 PolarHBondContact O-N 3.2Å; I128-K132 HydrophobicContact CB-CD 4.29Å; I128-K132 VanDerWaalsContact O-CB 3.23Å; I128-K132 WeakPolarHBondContact O-CB 3.36Å; I128-K132 WeakPolarHBondContact O-CD 3.18Å; I128-K132 WeakPolarHBondContact O-CG 3.42Å; I128-K132 PolarHBondContact O-N 2.88Å; I128-Y173 HydrophobicContact CD1-CD1 3.92Å; I128-A175 HydrophobicContact CG2-CB 4.32Å; I128-L178 HydrophobicContact CB-CD1 3.83Å; I128-L178 HydrophobicContact CG2-CD1 3.79Å
129	C	98.9	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.7	-44.7	175.5	-72.4	0	0	0	0	110.6	T96 I116 G125 A126 L127 N133 Y137	T96-C129 HydrophobicContact CG2-CB 4.22Å; I116-C129 HydrophobicContact CD1-CB 3.9Å; G125-C129 VanDerWaalsContact O-CB 3.26Å; G125-C129 WeakPolarHBondContact O-CB 3.44Å; G125-C129 PolarHBondContact O-N 3.32Å; G125-C129 PolarHBondContact O-SG 2.91Å; A126-C129 PolarHBondContact O-N 3.48Å; L127-C129 PolarHBondContact O-N 3.43Å; C129-N133 WeakPolarHBondContact O-CB 3.49Å; C129-N133 PolarHBondContact O-N 2.94Å; C129-N133 PolarHBondContact O-ND2 2.71Å; C129-Y137 HydrophobicContact CB-CE2 4.04Å; C129-Y137 WeakPolarHBondContact O-CE2 3.43Å
130	A	98.7	Very high	98.4	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.017	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-47.7	176.8	0	0	0	0	0	112.4	I116 A126 L127 K132 N133 Y137 V140 L187	I116-A130 HydrophobicContact CG2-CB 4.36Å; A126-A130 WeakPolarHBondContact O-CB 3.18Å; A126-A130 PolarHBondContact O-N 3.47Å; L127-A130 PolarHBondContact O-N 3.02Å; A130-K132 PolarHBondContact O-N 3.28Å; A130-N133 CarbonylContact O-C 3.56Å; A130-N133 PolarHBondContact O-N 3.08Å; A130-Y137 HydrophobicContact CB-CD2 4.39Å; A130-V140 HydrophobicContact CB-CB 3.74Å; A130-V140 HydrophobicContact CB-CG1 3.92Å; A130-V140 HydrophobicContact CB-CG2 3.85Å; A130-L187 HydrophobicContact CB-CD1 4.17Å
131	L	98.6	Very high	98.4	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-71	-31.4	-175.9	-66.7	168.1	0	0	0	113.3	L127 I128 A175 L178 V179 Y182 L187 F210	L127-L131 WeakPolarHBondContact O-CB 3.41Å; L127-L131 VanDerWaalsContact O-CG 3.23Å; L127-L131 WeakPolarHBondContact O-CG 3.18Å; L127-L131 PolarHBondContact O-N 3.19Å; I128-L131 PolarHBondContact O-N 3.2Å; L131-A175 HydrophobicContact CD1-CB 4.11Å; L131-L178 HydrophobicContact CB-CB 4Å; L131-L178 HydrophobicContact CD1-CB 4.06Å; L131-V179 HydrophobicContact CD1-CB 4.15Å; L131-V179 HydrophobicContact CD2-CB 4.28Å; L131-V179 HydrophobicContact CD2-CG2 4.11Å; L131-Y182 HydrophobicContact CB-CD2 4.38Å; L131-Y182 HydrophobicContact CD2-CD2 3.85Å; L131-Y182 HydrophobicContact CD2-CE2 4.42Å; L131-Y182 HydrophobicContact CD2-CG 3.93Å; L131-Y182 WeakPolarHBondContact O-CD2 3.32Å; L131-L187 HydrophobicContact CD2-CD1 4.43Å; L131-F210 HydrophobicContact CD1-CE2 4.09Å
132	K	98.4	Very high	98.4	Very high	58 Å²	58	18.1 Å²	18.1	25%	0.252	10%	0.103	S	C	.	.	H	α-helix	trans	-81.5	-16.8	177.7	-67.6	168.1	70.3	73.6	0	113.3	Y92 I128 A130 P134 A172 L178	Y92-K132 HydrophobicContact CD2-CD 4.48Å; Y92-K132 HydrophobicContact CE2-CB 4.39Å; Y92-K132 HydrophobicContact CE2-CD 3.67Å; Y92-K132 VanDerWaalsContact CE2-CE 3.45Å; Y92-K132 WeakPolarHBondContact OH-CB 3.38Å; Y92-K132 WeakPolarHBondContact OH-CE 3.23Å; I128-K132 HydrophobicContact CB-CD 4.29Å; I128-K132 VanDerWaalsContact O-CB 3.23Å; I128-K132 WeakPolarHBondContact O-CB 3.36Å; I128-K132 WeakPolarHBondContact O-CD 3.18Å; I128-K132 WeakPolarHBondContact O-CG 3.42Å; I128-K132 PolarHBondContact O-N 2.88Å; A130-K132 PolarHBondContact O-N 3.28Å; K132-P134 VanDerWaalsContact C-CD 3.43Å; K132-P134 WeakPolarHBondContact O-CD 3.41Å; K132-A172 WeakPolarHBondContact CD-O 3.23Å; K132-A172 PolarHBondContact NZ-O 2.95Å; K132-L178 HydrophobicContact CD-CD1 4.04Å; K132-L178 HydrophobicContact CG-CD1 3.77Å; K132-L178 HydrophobicContact CG-CD2 3.82Å; K132-L178 HydrophobicContact CG-CG 4.45Å
133	N	98.3	Very high	98.4	Very high	29 Å²	29	18.1 Å²	18.1	16%	0.155	10%	0.103	C	C	.	.	S	Bend	trans	-124.6	65.4	-175.7	-57.6	-84	0	0	0	110.7	Y92 C129 A130 G135 K136 Y137	Y92-N133 PolarHBondContact OH-ND2 3.34Å; C129-N133 WeakPolarHBondContact O-CB 3.49Å; C129-N133 PolarHBondContact O-N 2.94Å; C129-N133 PolarHBondContact O-ND2 2.71Å; A130-N133 CarbonylContact O-C 3.56Å; A130-N133 PolarHBondContact O-N 3.08Å; N133-G135 PolarHBondContact O-N 3.47Å; N133-K136 HydrophobicContact CB-CB 3.65Å; N133-K136 HydrophobicContact CB-CD 3.72Å; N133-K136 HydrophobicContact CB-CG 4.28Å; N133-K136 VanDerWaalsContact O-CB 3.25Å; N133-K136 WeakPolarHBondContact O-CB 3.48Å; N133-K136 PolarHBondContact O-N 3.01Å; N133-Y137 HydrophobicContact CB-CE2 4.21Å
134	P	97.4	Very high	98.4	Very high	61 Å²	61	18.1 Å²	18.1	40%	0.396	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	128.1	-179.3	24.3	-34.1	0	0	0	110.8	K132 K136 Y182 P183	K132-P134 VanDerWaalsContact C-CD 3.43Å; K132-P134 WeakPolarHBondContact O-CD 3.41Å; P134-K136 VanDerWaalsContact C-N 3.34Å; P134-Y182 HydrophobicContact CB-CE2 3.8Å; P134-P183 HydrophobicContact CG-CG 4.25Å
135	G	95.4	Very high	98.4	Very high	56 Å²	56	18.1 Å²	18.1	58%	0.577	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.2	-12.6	-178.3	0	0	0	0	0	115.6	N133	N133-G135 PolarHBondContact O-N 3.47Å
136	K	97.3	Very high	98.4	Very high	59 Å²	59	18.1 Å²	18.1	26%	0.257	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-37.2	179.2	-173	166.3	-173.6	144.2	0	112.9	T96 E97 M114 N133 P134	T96-K136 WeakPolarHBondContact O-CE 3.33Å; T96-K136 PolarHBondContact O-NZ 3.49Å; E97-K136 IonicContact OE1-NZ 3.11Å; E97-K136 PolarHBondContact OE1-NZ 3.27Å; E97-K136 IonicContact OE2-NZ 2.65Å; E97-K136 PolarHBondContact OE2-NZ 2.71Å; M114-K136 HydrophobicContact CE-CD 4.33Å; M114-K136 HydrophobicContact CE-CG 3.7Å; N133-K136 HydrophobicContact CB-CB 3.65Å; N133-K136 HydrophobicContact CB-CD 3.72Å; N133-K136 HydrophobicContact CB-CG 4.28Å; N133-K136 VanDerWaalsContact O-CB 3.25Å; N133-K136 WeakPolarHBondContact O-CB 3.48Å; N133-K136 PolarHBondContact O-N 3.01Å; P134-K136 VanDerWaalsContact C-N 3.34Å
137	Y	98	Very high	98.4	Very high	9 Å²	9	18.1 Å²	18.1	4%	0.035	10%	0.103	C	C	.	.			trans	-113.1	135.4	-178.2	-56.8	-83.5	0	0	0	110.9	M114 I116 C129 A130 N133	M114-Y137 HydrophobicContact CE-CD1 4.01Å; M114-Y137 HydrophobicContact CE-CE1 3.56Å; M114-Y137 HydrophobicContact CG-CD1 3.96Å; M114-Y137 HydrophobicContact CG-CE1 4Å; M114-Y137 CarbonylContact O-C 3.57Å; M114-Y137 VanDerWaalsContact O-CA 3.26Å; M114-Y137 WeakPolarHBondContact O-CA 3.39Å; M114-Y137 HydrophobicContact SD-CD1 4.47Å; M114-Y137 HydrophobicContact SD-CE1 3.96Å; I116-Y137 HydrophobicContact CB-CD1 3.7Å; I116-Y137 HydrophobicContact CB-CE1 3.73Å; I116-Y137 HydrophobicContact CB-CG 4.41Å; I116-Y137 HydrophobicContact CD1-CE1 3.97Å; I116-Y137 HydrophobicContact CG1-CE1 4.44Å; I116-Y137 HydrophobicContact CG2-CD1 3.68Å; I116-Y137 HydrophobicContact CG2-CD2 4.32Å; I116-Y137 HydrophobicContact CG2-CE1 3.94Å; I116-Y137 HydrophobicContact CG2-CG 3.87Å; C129-Y137 HydrophobicContact CB-CE2 4.04Å; C129-Y137 WeakPolarHBondContact O-CE2 3.43Å; A130-Y137 HydrophobicContact CB-CD2 4.39Å; N133-Y137 HydrophobicContact CB-CE2 4.21Å
138	K	97.5	Very high	98.4	Very high	97 Å²	97	18.3 Å²	18.3	42%	0.422	10%	0.104	S	C	.	.	S	Bend	trans	-77.4	-28	-179.7	-60.1	-58.9	-178	-174.1	0	113.1	Q112 M114 L251	Q112-K138 WeakPolarHBondContact O-CE 3.45Å; M114-K138 PolarHBondContact O-N 2.85Å; K138-L251 HydrophobicContact CB-CD2 4.04Å; K138-L251 HydrophobicContact CG-CD2 3.98Å
139	S	98.3	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.			trans	-157.6	158.2	177	47.9	0	0	0	0	110.7	S115 I116 H247	S115-S139 VanDerWaalsContact CB-O 3.29Å; S115-S139 WeakPolarHBondContact CB-O 3.07Å; S115-S139 WeakPolarHBondContact CB-OG 3.42Å; S115-S139 PolarHBondContact OG-N 2.67Å; S115-S139 PolarHBondContact OG-O 3.45Å; S115-S139 PolarHBondContact OG-OG 2.95Å; I116-S139 PolarHBondContact N-O 2.77Å; S139-H247 PolarHBondContact OG-ND1 3.42Å
140	V	98.8	Very high	98.4	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138	176.9	62.5	0	0	0	0	110.6	I116 A126 L127 A130 L187 I189 L190	I116-V140 HydrophobicContact CG2-CB 4.45Å; I116-V140 HydrophobicContact CG2-CG2 4.08Å; I116-V140 VanDerWaalsContact O-CA 3.28Å; I116-V140 WeakPolarHBondContact O-CA 3.28Å; A126-V140 HydrophobicContact CB-CG2 4.25Å; L127-V140 HydrophobicContact CD2-CG2 4.14Å; A130-V140 HydrophobicContact CB-CB 3.74Å; A130-V140 HydrophobicContact CB-CG1 3.92Å; A130-V140 HydrophobicContact CB-CG2 3.85Å; V140-L187 HydrophobicContact CG1-CD1 4.47Å; V140-I189 HydrophobicContact CG1-CD1 4.45Å; V140-I189 HydrophobicContact CG1-CG1 3.89Å; V140-I189 HydrophobicContact CG1-CG2 4.39Å; V140-I189 WeakPolarHBondContact O-CA 3.38Å; V140-L190 PolarHBondContact O-N 2.83Å
141	S	98.9	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	166.3	172.7	74.4	0	0	0	0	111.4	I116 F117 G118 L190 H243 H247	I116-S141 PolarHBondContact O-N 3.41Å; F117-S141 WeakPolarHBondContact CA-O 3.35Å; F117-S141 WeakPolarHBondContact CB-O 3.37Å; F117-S141 WeakPolarHBondContact CB-OG 3.47Å; G118-S141 PolarHBondContact N-O 2.98Å; S141-L190 CarbonylContact C-O 3.57Å; S141-L190 WeakPolarHBondContact CA-O 3.45Å; S141-L190 WeakPolarHBondContact CB-O 3.28Å; S141-H243 VanDerWaalsContact CB-ND1 3.28Å; S141-H243 WeakPolarHBondContact CB-ND1 3.22Å; S141-H243 PolarHBondContact OG-ND1 2.96Å; S141-H247 PolarHBondContact OG-CE1 3.23Å; S141-H247 PolarHBondContact OG-NE2 3.22Å
142	A	98.9	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	149.8	178	0	0	0	0	0	113.3	G118 P145 L190 I191 D192 H243	G118-A142 CarbonylContact O-C 3.41Å; G118-A142 VanDerWaalsContact O-CA 3.32Å; G118-A142 WeakPolarHBondContact O-CA 3.01Å; A142-P145 HydrophobicContact CB-CB 3.79Å; A142-P145 HydrophobicContact CB-CG 3.84Å; A142-L190 PolarHBondContact N-O 3.16Å; A142-I191 WeakPolarHBondContact O-CA 3.47Å; A142-D192 PolarHBondContact O-N 3.5Å; A142-H243 PolarHBondContact O-CE1 3.16Å
143	F	98.9	Very high	98.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124	167.4	-71	-98.3	0	0	0	109	W21 F117 G118 H119 S120 P145 D192 F235 I236 F239 I240 H243	W21-F143 HydrophobicContact CH2-CD2 4.01Å; W21-F143 AromaticContact CZ3-CD2 3.79Å; W21-F143 HydrophobicContact CZ3-CD2 3.79Å; W21-F143 HydrophobicContact CZ3-CE2 4.08Å; F117-F143 HydrophobicContact CD2-CE2 4.27Å; F117-F143 HydrophobicContact CE2-CE2 4.33Å; G118-F143 PolarHBondContact O-N 3.4Å; H119-F143 CarbonylContact C-O 3.42Å; H119-F143 VanDerWaalsContact CA-O 3.3Å; H119-F143 WeakPolarHBondContact CA-O 3.33Å; H119-F143 HydrophobicContact CB-CB 4.29Å; H119-F143 PolarHBondContact CD2-O 3.04Å; S120-F143 PolarHBondContact N-O 3.37Å; F143-P145 VanDerWaalsContact C-CD 3.48Å; F143-P145 VanDerWaalsContact C-N 3.34Å; F143-D192 CarbonylContact C-O 3.55Å; F143-D192 WeakPolarHBondContact CA-O 3.36Å; F143-D192 HydrophobicContact CD1-CB 4.29Å; F143-F235 HydrophobicContact CB-CE1 4.03Å; F143-F235 HydrophobicContact CD1-CD1 4.4Å; F143-F235 AromaticContact CD1-CE1 3.76Å; F143-F235 HydrophobicContact CD1-CE1 3.76Å; F143-F235 HydrophobicContact CD1-CE2 4.45Å; F143-F235 AromaticContact CD1-CZ 3.79Å; F143-F235 HydrophobicContact CD1-CZ 3.79Å; F143-F235 HydrophobicContact CG-CE1 4.42Å; F143-I236 HydrophobicContact CB-CG1 4.3Å; F143-I236 HydrophobicContact CD1-CB 4.31Å; F143-I236 HydrophobicContact CD1-CG1 4.1Å; F143-I236 HydrophobicContact CD1-CG2 4.36Å; F143-I236 HydrophobicContact CD2-CG2 4.48Å; F143-I236 HydrophobicContact CE1-CB 4.4Å; F143-I236 HydrophobicContact CE1-CG2 4.23Å; F143-I236 HydrophobicContact CE2-CG2 4.39Å; F143-I236 HydrophobicContact CG-CG1 4.23Å; F143-I236 HydrophobicContact CG-CG2 4.47Å; F143-I236 HydrophobicContact CZ-CG2 4.27Å; F143-F239 HydrophobicContact CE1-CB 3.89Å; F143-F239 HydrophobicContact CZ-CB 4.35Å; F143-I240 HydrophobicContact CE2-CD1 4.28Å; F143-I240 HydrophobicContact CZ-CD1 4.37Å; F143-H243 AromaticContact CD2-CE1 3.85Å; F143-H243 AromaticContact CD2-ND1 3.96Å; F143-H243 AromaticContact CE1-CD2 3.98Å; F143-H243 AromaticContact CE1-NE2 3.92Å; F143-H243 HydrophobicContact CE2-CB 4Å; F143-H243 AromaticContact CE2-CD2 3.51Å; F143-H243 AromaticContact CE2-CE1 3.57Å; F143-H243 AromaticContact CE2-CG 3.36Å; F143-H243 AromaticContact CE2-ND1 3.4Å; F143-H243 WeakPolarHBondContact CE2-ND1 3.32Å; F143-H243 AromaticContact CE2-NE2 3.64Å; F143-H243 HydrophobicContact CZ-CB 4.2Å; F143-H243 AromaticContact CZ-CD2 3.21Å; F143-H243 WeakPolarHBondContact CZ-CD2 3.28Å; F143-H243 AromaticContact CZ-CE1 3.94Å; F143-H243 AromaticContact CZ-CG 3.55Å; F143-H243 AromaticContact CZ-ND1 3.97Å; F143-H243 AromaticContact CZ-NE2 3.5Å; F143-H243 WeakPolarHBondContact CZ-NE2 3.26Å
144	A	98.9	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	42.3	51.4	177.1	0	0	0	0	0	114.1	S120 D192 D197 L205 F235	S120-A144 WeakPolarHBondContact CA-O 3.47Å; S120-A144 PolarHBondContact N-O 3.21Å; A144-D192 PolarHBondContact N-O 3.37Å; A144-D197 WeakPolarHBondContact CB-OD2 3.39Å; A144-L205 HydrophobicContact CB-CD1 3.94Å; A144-L205 WeakPolarHBondContact O-CD2 3.48Å; A144-F235 HydrophobicContact CB-CE1 4.21Å
145	P	98.9	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.			trans	-67.2	147.2	-172.1	26.7	-34.6	0	0	0	113.5	L127 A142 F143 C147 I191	L127-P145 HydrophobicContact CD1-CB 3.89Å; L127-P145 HydrophobicContact CD1-CG 4.25Å; A142-P145 HydrophobicContact CB-CB 3.79Å; A142-P145 HydrophobicContact CB-CG 3.84Å; F143-P145 VanDerWaalsContact C-CD 3.48Å; F143-P145 VanDerWaalsContact C-N 3.34Å; P145-C147 VanDerWaalsContact CG-SG 3.55Å; P145-C147 PolarHBondContact O-N 3.31Å; P145-C147 VanDerWaalsContact O-N 3.09Å; P145-I191 HydrophobicContact CG-CD1 4.15Å; P145-I191 HydrophobicContact CG-CG1 4.4Å; P145-I191 HydrophobicContact CG-CG2 3.84Å
146	I	98.9	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.			trans	-75.8	92.1	161.8	-56.6	167.9	0	0	0	108.3	F76 S120 M121 H124 P149 W154 L205	F76-I146 HydrophobicContact CE1-CD1 4.3Å; S120-I146 PolarHBondContact O-N 3.31Å; M121-I146 HydrophobicContact CB-CD1 4.25Å; H124-I146 HydrophobicContact CB-CB 3.98Å; H124-I146 VanDerWaalsContact CB-O 3.31Å; H124-I146 WeakPolarHBondContact CB-O 3.41Å; H124-I146 PolarHBondContact ND1-O 3.38Å; I146-P149 HydrophobicContact CG2-CB 3.87Å; I146-W154 HydrophobicContact CD1-CE3 3.75Å; I146-W154 HydrophobicContact CD1-CZ3 4.2Å; I146-W154 HydrophobicContact CG1-CE3 4.4Å; I146-L205 HydrophobicContact CG1-CD2 3.92Å
147	C	98.9	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.			trans	-78.2	-34.1	-170.8	-84.4	0	0	0	0	113.9	P145 P149 T176 L205 F210	P145-C147 VanDerWaalsContact CG-SG 3.55Å; P145-C147 PolarHBondContact O-N 3.31Å; P145-C147 VanDerWaalsContact O-N 3.09Å; C147-P149 VanDerWaalsContact C-CD 3.48Å; C147-T176 PolarHBondContact O-N 3.39Å; C147-T176 PolarHBondContact O-OG1 3.12Å; C147-L205 VanDerWaalsContact CB-O 3.31Å; C147-L205 WeakPolarHBondContact CB-O 3.16Å; C147-L205 PolarHBondContact N-O 3.5Å; C147-F210 HydrophobicContact CB-CB 3.66Å; C147-F210 HydrophobicContact CB-CG 4.38Å
148	N	98.9	Very high	98.7	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.027	11%	0.111	C	C	.	.			trans	-132.1	61.4	-173.8	-157.4	177	0	0	0	112.5	V150 L151 D174 L206 N209	N148-V150 WeakPolarHBondContact ND2-CG2 3.17Å; N148-V150 PolarHBondContact O-N 3.02Å; N148-V150 VanDerWaalsContact O-N 3.1Å; N148-L151 PolarHBondContact O-N 3.25Å; N148-L151 VanDerWaalsContact OD1-CD1 3.31Å; N148-L151 WeakPolarHBondContact OD1-CD1 3.23Å; N148-D174 VanDerWaalsContact CA-OD2 3.32Å; N148-D174 WeakPolarHBondContact CA-OD2 3.2Å; N148-D174 PolarHBondContact ND2-OD1 3.33Å; N148-D174 PolarHBondContact ND2-OD2 3.1Å; N148-L206 HydrophobicContact CB-CB 4.09Å; N148-L206 HydrophobicContact CB-CD1 4.1Å; N148-N209 HydrophobicContact CB-CB 4.33Å; N148-N209 PolarHBondContact OD1-ND2 3.24Å
149	P	98.8	Very high	98.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23	-172.3	24.3	-36.8	0	0	0	115.3	I146 C147 L151 G155 K156 F159 D174	I146-P149 HydrophobicContact CG2-CB 3.87Å; C147-P149 VanDerWaalsContact C-CD 3.48Å; P149-L151 PolarHBondContact O-N 3.07Å; P149-G155 CarbonylContact O-C 3.24Å; P149-G155 VanDerWaalsContact O-C 3.28Å; P149-G155 WeakPolarHBondContact O-CA 3.43Å; P149-K156 PolarHBondContact O-N 3.44Å; P149-F159 HydrophobicContact CB-CD2 4.47Å; P149-F159 HydrophobicContact CB-CE2 3.52Å; P149-F159 HydrophobicContact CB-CZ 3.6Å; P149-F159 HydrophobicContact CG-CE2 3.56Å; P149-F159 HydrophobicContact CG-CZ 3.51Å; P149-D174 WeakPolarHBondContact CD-OD2 3.49Å; P149-D174 HydrophobicContact CG-CB 4.14Å; P149-D174 VanDerWaalsContact N-OD2 3.13Å
150	V	98.7	Very high	98.8	Very high	11 Å²	11	20.9 Å²	20.9	7%	0.067	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.7	174.6	-57.7	0	0	0	0	113.3	N148 K156 F159 W170 D174	N148-V150 WeakPolarHBondContact ND2-CG2 3.17Å; N148-V150 PolarHBondContact O-N 3.02Å; N148-V150 VanDerWaalsContact O-N 3.1Å; V150-K156 WeakPolarHBondContact O-CE 3.14Å; V150-F159 HydrophobicContact CG1-CD2 4.24Å; V150-F159 HydrophobicContact CG1-CE2 4.03Å; V150-W170 HydrophobicContact CB-CE3 4.33Å; V150-W170 HydrophobicContact CG1-CB 3.65Å; V150-W170 HydrophobicContact CG1-CE3 4.27Å; V150-D174 HydrophobicContact CG1-CB 3.9Å; V150-D174 WeakPolarHBondContact CG1-OD2 3.21Å; V150-D174 VanDerWaalsContact CG2-OD2 3.26Å; V150-D174 WeakPolarHBondContact CG2-OD2 3.31Å; V150-D174 PolarHBondContact N-OD2 2.93Å; V150-D174 VanDerWaalsContact N-OD2 3.11Å
151	L	98.8	Very high	98.8	Very high	90 Å²	90	22 Å²	22	47%	0.471	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-27.4	-179	-62.2	-173.9	0	0	0	113.4	N148 P149 K156 L206	N148-L151 PolarHBondContact O-N 3.25Å; N148-L151 VanDerWaalsContact OD1-CD1 3.31Å; N148-L151 WeakPolarHBondContact OD1-CD1 3.23Å; P149-L151 PolarHBondContact O-N 3.07Å; L151-K156 VanDerWaalsContact O-CE 3.27Å; L151-K156 WeakPolarHBondContact O-CE 3.43Å; L151-K156 PolarHBondContact O-NZ 3.46Å; L151-L206 HydrophobicContact CB-CD1 3.88Å
152	C	98.5	Very high	98.8	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.122	C	C	.	.	S	Bend	trans	-85.7	153.9	-176.2	76.6	0	0	0	0	113.9	W154 G155 K156 G203 Q204 L206	C152-W154 PolarHBondContact O-N 2.55Å; C152-G155 PolarHBondContact O-N 3.3Å; C152-G155 PolarHBondContact SG-N 3.07Å; C152-G155 VanDerWaalsContact SG-N 3.45Å; C152-K156 WeakPolarHBondContact O-CB 3.46Å; C152-K156 VanDerWaalsContact O-CG 3.32Å; C152-K156 WeakPolarHBondContact O-CG 3.13Å; C152-K156 PolarHBondContact O-N 3.19Å; C152-G203 WeakPolarHBondContact CB-O 3.3Å; C152-Q204 WeakPolarHBondContact CB-O 3.44Å; C152-Q204 PolarHBondContact SG-O 3.26Å; C152-L206 HydrophobicContact CB-CD1 4.11Å
153	P	98.8	Very high	98.8	Very high	77 Å²	77	22 Å²	22	50%	0.5	12%	0.122	S	C	.	.	H	α-helix	trans	-55.7	-44.9	-178.9	-27.2	34.2	0	0	0	114.5	K156 K157	P153-K156 PolarHBondContact O-N 2.73Å; P153-K157 PolarHBondContact O-N 2.81Å; P153-K157 VanDerWaalsContact O-N 3.08Å
154	W	98.7	Very high	98.8	Very high	14 Å²	14	22.5 Å²	22.5	5%	0.053	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-47.5	-179.3	-70.3	-26.8	0	0	0	112.4	L25 W68 F76 I146 C152 K156 K157 A158 F199 Q204	L25-W154 HydrophobicContact CD1-CD2 4.05Å; L25-W154 HydrophobicContact CD1-CE3 4.04Å; L25-W154 HydrophobicContact CD1-CH2 4.46Å; L25-W154 HydrophobicContact CD1-CZ3 4.23Å; W68-W154 AromaticContact CH2-CE2 3.61Å; W68-W154 HydrophobicContact CH2-CH2 4.43Å; W68-W154 AromaticContact CH2-CZ2 3.46Å; W68-W154 HydrophobicContact CH2-CZ2 3.46Å; W68-W154 VanDerWaalsContact CH2-CZ2 3.46Å; W68-W154 AromaticContact CH2-NE1 3.47Å; W68-W154 HydrophobicContact CZ2-CZ2 4.48Å; W68-W154 AromaticContact CZ2-NE1 3.94Å; W68-W154 HydrophobicContact CZ3-CZ2 4.09Å; F76-W154 HydrophobicContact CZ-CB 4.04Å; I146-W154 HydrophobicContact CD1-CE3 3.75Å; I146-W154 HydrophobicContact CD1-CZ3 4.2Å; I146-W154 HydrophobicContact CG1-CE3 4.4Å; C152-W154 PolarHBondContact O-N 2.55Å; W154-K156 PolarHBondContact O-N 2.94Å; W154-K157 PolarHBondContact O-N 2.9Å; W154-A158 WeakPolarHBondContact O-CB 3.35Å; W154-A158 PolarHBondContact O-N 2.74Å; W154-F199 HydrophobicContact CH2-CB 3.88Å; W154-F199 AromaticContact CH2-CD1 3.18Å; W154-F199 HydrophobicContact CH2-CD1 3.18Å; W154-F199 AromaticContact CH2-CD2 3.82Å; W154-F199 HydrophobicContact CH2-CD2 3.82Å; W154-F199 AromaticContact CH2-CE1 3.5Å; W154-F199 HydrophobicContact CH2-CE1 3.5Å; W154-F199 VanDerWaalsContact CH2-CE1 3.5Å; W154-F199 HydrophobicContact CH2-CE2 4.09Å; W154-F199 AromaticContact CH2-CG 3.34Å; W154-F199 HydrophobicContact CH2-CG 3.34Å; W154-F199 AromaticContact CH2-CZ 3.93Å; W154-F199 HydrophobicContact CH2-CZ 3.93Å; W154-F199 AromaticContact CZ2-CD1 3.37Å; W154-F199 HydrophobicContact CZ2-CD1 3.37Å; W154-F199 AromaticContact CZ2-CE1 3.43Å; W154-F199 HydrophobicContact CZ2-CE1 3.43Å; W154-F199 VanDerWaalsContact CZ2-CE1 3.43Å; W154-F199 HydrophobicContact CZ2-CG 4.04Å; W154-F199 HydrophobicContact CZ2-CZ 4.14Å; W154-F199 HydrophobicContact CZ3-CB 4.27Å; W154-F199 HydrophobicContact CZ3-CD1 4.31Å; W154-F199 HydrophobicContact CZ3-CG 4.17Å; W154-Q204 HydrophobicContact CD2-CB 4.25Å; W154-Q204 HydrophobicContact CD2-CG 3.8Å; W154-Q204 HydrophobicContact CE3-CB 3.69Å; W154-Q204 HydrophobicContact CE3-CG 3.73Å; W154-Q204 HydrophobicContact CG-CG 4.49Å; W154-Q204 VanDerWaalsContact CG-OE1 3.31Å; W154-Q204 HydrophobicContact CH2-CB 4.32Å; W154-Q204 HydrophobicContact CH2-CG 4.03Å; W154-Q204 HydrophobicContact CZ2-CG 3.99Å; W154-Q204 HydrophobicContact CZ3-CB 3.76Å; W154-Q204 HydrophobicContact CZ3-CG 3.88Å
155	G	98.7	Very high	98.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-39.1	179.2	0	0	0	0	0	112.2	P149 C152 K157 A158 F159	P149-G155 CarbonylContact O-C 3.24Å; P149-G155 VanDerWaalsContact O-C 3.28Å; P149-G155 WeakPolarHBondContact O-CA 3.43Å; C152-G155 PolarHBondContact O-N 3.3Å; C152-G155 PolarHBondContact SG-N 3.07Å; C152-G155 VanDerWaalsContact SG-N 3.45Å; G155-K157 PolarHBondContact O-N 3.18Å; G155-A158 PolarHBondContact O-N 2.86Å; G155-F159 VanDerWaalsContact O-CB 3.25Å; G155-F159 WeakPolarHBondContact O-CB 3.4Å; G155-F159 WeakPolarHBondContact O-CD2 3.44Å; G155-F159 WeakPolarHBondContact O-CG 3.29Å; G155-F159 PolarHBondContact O-N 3.32Å
156	K	98.8	Very high	98.6	Very high	96 Å²	96	32.6 Å²	32.6	42%	0.417	19%	0.186	S	C	.	.	H	α-helix	trans	-58.2	-46.1	173.1	-77.8	170.5	172.2	160.4	0	112.4	P149 V150 L151 C152 P153 W154 S160 W170	P149-K156 PolarHBondContact O-N 3.44Å; V150-K156 WeakPolarHBondContact O-CE 3.14Å; L151-K156 VanDerWaalsContact O-CE 3.27Å; L151-K156 WeakPolarHBondContact O-CE 3.43Å; L151-K156 PolarHBondContact O-NZ 3.46Å; C152-K156 WeakPolarHBondContact O-CB 3.46Å; C152-K156 VanDerWaalsContact O-CG 3.32Å; C152-K156 WeakPolarHBondContact O-CG 3.13Å; C152-K156 PolarHBondContact O-N 3.19Å; P153-K156 PolarHBondContact O-N 2.73Å; W154-K156 PolarHBondContact O-N 2.94Å; K156-S160 VanDerWaalsContact O-CB 3.23Å; K156-S160 WeakPolarHBondContact O-CB 3.35Å; K156-S160 PolarHBondContact O-N 2.93Å; K156-S160 PolarHBondContact O-OG 2.95Å; K156-W170 HydrophobicContact CB-CZ3 4.45Å; K156-W170 HydrophobicContact CG-CZ3 4.1Å
157	K	98.8	Very high	98.5	Very high	85 Å²	85	38 Å²	38	37%	0.37	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-52.2	177.7	-178	179.5	179.4	178.2	0	111	S67 D69 P153 W154 G155 S160 G161	S67-K157 PolarHBondContact OG-NZ 3.45Å; D69-K157 VanDerWaalsContact CG-NZ 3.3Å; D69-K157 WeakPolarHBondContact OD1-CE 3.33Å; D69-K157 IonicContact OD1-NZ 2.98Å; D69-K157 PolarHBondContact OD1-NZ 3.26Å; D69-K157 WeakPolarHBondContact OD2-CD 3.45Å; D69-K157 IonicContact OD2-NZ 3.11Å; D69-K157 PolarHBondContact OD2-NZ 2.89Å; D69-K157 VanDerWaalsContact OD2-NZ 3.16Å; P153-K157 PolarHBondContact O-N 2.81Å; P153-K157 VanDerWaalsContact O-N 3.08Å; W154-K157 PolarHBondContact O-N 2.9Å; G155-K157 PolarHBondContact O-N 3.18Å; K157-S160 PolarHBondContact O-N 3.02Å; K157-G161 PolarHBondContact O-N 3.21Å
158	A	98.8	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-46.8	-177.9	0	0	0	0	0	112.5	F76 W154 G155 G161 Y162	F76-A158 HydrophobicContact CB-CB 4.35Å; F76-A158 HydrophobicContact CD1-CB 3.85Å; F76-A158 HydrophobicContact CD2-CB 3.36Å; F76-A158 HydrophobicContact CE1-CB 3.95Å; F76-A158 HydrophobicContact CE2-CB 3.46Å; F76-A158 VanDerWaalsContact CE2-CB 3.46Å; F76-A158 HydrophobicContact CG-CB 3.57Å; F76-A158 HydrophobicContact CZ-CB 3.78Å; W154-A158 WeakPolarHBondContact O-CB 3.35Å; W154-A158 PolarHBondContact O-N 2.74Å; G155-A158 PolarHBondContact O-N 2.86Å; A158-G161 PolarHBondContact O-N 3.27Å; A158-Y162 HydrophobicContact CB-CD2 4.23Å; A158-Y162 HydrophobicContact CB-CE2 4.23Å; A158-Y162 WeakPolarHBondContact O-CB 3.19Å; A158-Y162 WeakPolarHBondContact O-CD2 3.42Å; A158-Y162 PolarHBondContact O-N 3.29Å
159	F	98.8	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70.6	-35.3	-179.8	-64.3	-17.6	0	0	0	112.8	F76 V78 P149 V150 G155 G161 L163 G164 W170 Y173	F76-F159 HydrophobicContact CD1-CE1 4.48Å; V78-F159 HydrophobicContact CG1-CD1 4.32Å; V78-F159 HydrophobicContact CG1-CE1 3.81Å; P149-F159 HydrophobicContact CB-CD2 4.47Å; P149-F159 HydrophobicContact CB-CE2 3.52Å; P149-F159 HydrophobicContact CB-CZ 3.6Å; P149-F159 HydrophobicContact CG-CE2 3.56Å; P149-F159 HydrophobicContact CG-CZ 3.51Å; V150-F159 HydrophobicContact CG1-CD2 4.24Å; V150-F159 HydrophobicContact CG1-CE2 4.03Å; G155-F159 VanDerWaalsContact O-CB 3.25Å; G155-F159 WeakPolarHBondContact O-CB 3.4Å; G155-F159 WeakPolarHBondContact O-CD2 3.44Å; G155-F159 WeakPolarHBondContact O-CG 3.29Å; G155-F159 PolarHBondContact O-N 3.32Å; F159-G161 VanDerWaalsContact C-N 3.3Å; F159-G161 PolarHBondContact O-N 2.85Å; F159-L163 HydrophobicContact CB-CD1 4.28Å; F159-L163 HydrophobicContact CD1-CD1 3.91Å; F159-L163 HydrophobicContact CE1-CD1 4.49Å; F159-L163 HydrophobicContact CG-CD1 4.16Å; F159-L163 CarbonylContact O-C 3.6Å; F159-L163 WeakPolarHBondContact O-CA 3.29Å; F159-L163 VanDerWaalsContact O-CB 3.3Å; F159-L163 WeakPolarHBondContact O-CB 3.37Å; F159-L163 PolarHBondContact O-N 3.33Å; F159-G164 PolarHBondContact O-N 3.33Å; F159-W170 HydrophobicContact CB-CB 4.39Å; F159-W170 HydrophobicContact CB-CD2 3.38Å; F159-W170 VanDerWaalsContact CB-CE2 3.42Å; F159-W170 HydrophobicContact CB-CE3 3.86Å; F159-W170 HydrophobicContact CB-CG 3.64Å; F159-W170 HydrophobicContact CB-CH2 4.34Å; F159-W170 HydrophobicContact CB-CZ2 3.94Å; F159-W170 HydrophobicContact CB-CZ3 4.31Å; F159-W170 HydrophobicContact CD2-CB 3.66Å; F159-W170 AromaticContact CD2-CD2 3.84Å; F159-W170 HydrophobicContact CD2-CD2 3.84Å; F159-W170 AromaticContact CD2-CE3 3.85Å; F159-W170 HydrophobicContact CD2-CE3 3.85Å; F159-W170 AromaticContact CD2-CG 3.81Å; F159-W170 HydrophobicContact CD2-CG 3.81Å; F159-W170 HydrophobicContact CE2-CB 4.2Å; F159-W170 HydrophobicContact CG-CB 4.28Å; F159-W170 HydrophobicContact CG-CD2 4.09Å; F159-W170 HydrophobicContact CG-CE3 4.39Å; F159-W170 HydrophobicContact CG-CG 4.05Å; F159-W170 PolarHBondContact O-NE1 3.31Å; F159-Y173 WeakPolarHBondContact CZ-O 3.29Å
160	S	98.8	Very high	98.3	Very high	59 Å²	59	45.2 Å²	45.2	41%	0.413	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-43	172	-59.2	0	0	0	0	111.3	K156 K157 G164 W170	K156-S160 VanDerWaalsContact O-CB 3.23Å; K156-S160 WeakPolarHBondContact O-CB 3.35Å; K156-S160 PolarHBondContact O-N 2.93Å; K156-S160 PolarHBondContact O-OG 2.95Å; K157-S160 PolarHBondContact O-N 3.02Å; S160-G164 WeakPolarHBondContact O-CA 3.42Å; S160-G164 PolarHBondContact O-N 3.37Å; S160-W170 VanDerWaalsContact OG-CH2 3.26Å; S160-W170 WeakPolarHBondContact OG-CH2 3.29Å; S160-W170 VanDerWaalsContact OG-CZ2 3.29Å; S160-W170 WeakPolarHBondContact OG-CZ2 3.3Å
161	G	98.8	Very high	98.3	Very high	23 Å²	23	49.8 Å²	49.8	24%	0.237	27%	0.27	C	S	.	.	H	α-helix	trans	-70.5	-45.9	179.6	0	0	0	0	0	113.7	W85 K157 A158 F159	W85-G161 PolarHBondContact NE1-O 2.79Å; K157-G161 PolarHBondContact O-N 3.21Å; A158-G161 PolarHBondContact O-N 3.27Å; F159-G161 VanDerWaalsContact C-N 3.3Å; F159-G161 PolarHBondContact O-N 2.85Å
162	Y	98.9	Very high	98.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-88.5	-32.7	-173.9	-62.9	-44.8	0	0	0	114.4	F70 G71 A74 F76 V78 A80 T81 E82 W85 Y89 A158	F70-Y162 HydrophobicContact CD2-CE1 4.35Å; F70-Y162 HydrophobicContact CD2-CE2 4.06Å; F70-Y162 AromaticContact CD2-CZ 3.89Å; F70-Y162 HydrophobicContact CE1-CE1 4.5Å; F70-Y162 AromaticContact CE2-CD1 3.86Å; F70-Y162 HydrophobicContact CE2-CD1 3.86Å; F70-Y162 HydrophobicContact CE2-CD2 4.06Å; F70-Y162 AromaticContact CE2-CE1 3.56Å; F70-Y162 HydrophobicContact CE2-CE1 3.56Å; F70-Y162 AromaticContact CE2-CE2 3.78Å; F70-Y162 HydrophobicContact CE2-CE2 3.78Å; F70-Y162 HydrophobicContact CE2-CG 4.1Å; F70-Y162 AromaticContact CE2-CZ 3.52Å; F70-Y162 AromaticContact CZ-CD1 3.98Å; F70-Y162 HydrophobicContact CZ-CD1 3.98Å; F70-Y162 AromaticContact CZ-CE1 3.65Å; F70-Y162 HydrophobicContact CZ-CE1 3.65Å; G71-Y162 WeakPolarHBondContact CA-OH 3.3Å; G71-Y162 PolarHBondContact N-OH 3.45Å; A74-Y162 WeakPolarHBondContact O-CE2 3.46Å; A74-Y162 PolarHBondContact O-OH 3.32Å; F76-Y162 HydrophobicContact CB-CE2 4.41Å; F76-Y162 HydrophobicContact CD2-CE2 4.42Å; V78-Y162 HydrophobicContact CG2-CD2 3.91Å; V78-Y162 HydrophobicContact CG2-CG 4.18Å; A80-Y162 CarbonylContact C-O 3.6Å; A80-Y162 WeakPolarHBondContact CA-O 3.42Å; A80-Y162 HydrophobicContact CB-CD1 4.09Å; A80-Y162 HydrophobicContact CB-CG 4.29Å; T81-Y162 PolarHBondContact N-O 3.04Å; E82-Y162 PolarHBondContact N-O 3.42Å; E82-Y162 VanDerWaalsContact N-O 3.12Å; W85-Y162 HydrophobicContact CB-CD1 3.75Å; W85-Y162 HydrophobicContact CB-CE1 4.17Å; W85-Y162 HydrophobicContact CD2-CD1 4.12Å; W85-Y162 AromaticContact CD2-CE1 3.94Å; W85-Y162 HydrophobicContact CD2-CE1 3.94Å; W85-Y162 HydrophobicContact CE3-CE1 4.03Å; W85-Y162 AromaticContact CG-CD1 3.66Å; W85-Y162 HydrophobicContact CG-CD1 3.66Å; W85-Y162 AromaticContact CG-CE1 3.96Å; W85-Y162 HydrophobicContact CG-CE1 3.96Å; Y89-Y162 HydrophobicContact CD1-CD1 4.47Å; Y89-Y162 AromaticContact CD1-CE1 3.56Å; Y89-Y162 HydrophobicContact CD1-CE1 3.56Å; Y89-Y162 AromaticContact CD1-CZ 3.67Å; Y89-Y162 WeakPolarHBondContact CD1-OH 3.36Å; Y89-Y162 HydrophobicContact CE1-CE1 4.03Å; Y89-Y162 AromaticContact CE1-CZ 3.98Å; Y89-Y162 VanDerWaalsContact CE1-OH 3.29Å; Y89-Y162 WeakPolarHBondContact CE1-OH 3.37Å; Y89-Y162 AromaticContact CG-CE1 3.9Å; Y89-Y162 HydrophobicContact CG-CE1 3.9Å; A158-Y162 HydrophobicContact CB-CD2 4.23Å; A158-Y162 HydrophobicContact CB-CE2 4.23Å; A158-Y162 WeakPolarHBondContact O-CB 3.19Å; A158-Y162 WeakPolarHBondContact O-CD2 3.42Å; A158-Y162 PolarHBondContact O-N 3.29Å
163	L	98.8	Very high	98.2	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-116.5	-8.4	-170.4	-52.5	177.7	0	0	0	113.3	V78 F159 K169 Y173	V78-L163 HydrophobicContact CB-CD2 4.47Å; F159-L163 HydrophobicContact CB-CD1 4.28Å; F159-L163 HydrophobicContact CD1-CD1 3.91Å; F159-L163 HydrophobicContact CE1-CD1 4.49Å; F159-L163 HydrophobicContact CG-CD1 4.16Å; F159-L163 CarbonylContact O-C 3.6Å; F159-L163 WeakPolarHBondContact O-CA 3.29Å; F159-L163 VanDerWaalsContact O-CB 3.3Å; F159-L163 WeakPolarHBondContact O-CB 3.37Å; F159-L163 PolarHBondContact O-N 3.33Å; L163-K169 HydrophobicContact CB-CB 4.46Å; L163-K169 VanDerWaalsContact O-CD 3.29Å; L163-K169 WeakPolarHBondContact O-CD 3.41Å; L163-K169 PolarHBondContact O-NZ 2.82Å; L163-K169 VanDerWaalsContact O-NZ 3.15Å; L163-Y173 HydrophobicContact CD1-CD2 3.8Å; L163-Y173 HydrophobicContact CD1-CE2 4.34Å; L163-Y173 HydrophobicContact CD2-CE2 4.28Å
164	G	98.6	Very high	98.3	Very high	10 Å²	10	45 Å²	45	10%	0.103	24%	0.244	C	C	.	.			trans	81.5	-166	-179.9	0	0	0	0	0	112.9	E82 F159 S160 W170	E82-G164 VanDerWaalsContact CG-N 3.27Å; F159-G164 PolarHBondContact O-N 3.33Å; S160-G164 WeakPolarHBondContact O-CA 3.42Å; S160-G164 PolarHBondContact O-N 3.37Å; G164-W170 WeakPolarHBondContact O-CZ2 3.35Å; G164-W170 PolarHBondContact O-NE1 3.29Å
165	T	97.8	Very high	98.3	Very high	134 Å²	134	44.3 Å²	44.3	82%	0.822	24%	0.241	S	C	*	.	S	Bend	trans	-83	-11.6	-172.5	55.7	0	0	0	0	114.6	Q167	T165-Q167 PolarHBondContact O-N 2.86Å; T165-Q167 VanDerWaalsContact O-N 3.1Å
166	D	97.3	Very high	98.3	Very high	77 Å²	77	44.5 Å²	44.5	41%	0.412	24%	0.243	S	C	.	.			trans	-76.5	96.8	178.6	179.3	8.4	0	0	0	110.9	S168 K169	D166-S168 PolarHBondContact O-N 2.75Å; D166-S168 VanDerWaalsContact O-N 3.1Å; D166-S168 WeakPolarHBondContact OD1-CB 3.47Å; D166-S168 PolarHBondContact OD1-N 3.29Å; D166-S168 PolarHBondContact OD1-OG 3.44Å; D166-S168 PolarHBondContact OD2-OG 3.41Å; D166-K169 HydrophobicContact CB-CD 4.42Å; D166-K169 HydrophobicContact CB-CG 4.43Å; D166-K169 WeakPolarHBondContact O-CB 3.19Å; D166-K169 PolarHBondContact O-N 3.23Å; D166-K169 VanDerWaalsContact O-N 3.12Å
167	Q	95.4	Very high	98.3	Very high	114 Å²	114	42.3 Å²	42.3	53%	0.533	23%	0.234	S	C	.	.	H	α-helix	trans	-64.5	-13.2	-179.8	-63.2	-173.9	17.3	0	0	113.7	T165 K169 W170 K171	T165-Q167 PolarHBondContact O-N 2.86Å; T165-Q167 VanDerWaalsContact O-N 3.1Å; Q167-K169 PolarHBondContact O-N 3.44Å; Q167-W170 HydrophobicContact CB-CD2 4.39Å; Q167-W170 HydrophobicContact CG-CD2 4.08Å; Q167-W170 HydrophobicContact CG-CE3 4.01Å; Q167-W170 HydrophobicContact CG-CH2 4.44Å; Q167-W170 HydrophobicContact CG-CZ2 4.48Å; Q167-W170 HydrophobicContact CG-CZ3 4.21Å; Q167-W170 WeakPolarHBondContact O-CB 3.42Å; Q167-W170 PolarHBondContact O-N 2.9Å; Q167-K171 PolarHBondContact O-N 3.46Å
168	S	95.9	Very high	98.3	Very high	73 Å²	73	39.3 Å²	39.3	51%	0.51	22%	0.222	S	C	.	.	H	α-helix	trans	-61.9	-36.9	172.9	78.3	0	0	0	0	111.2	D166 W170	D166-S168 PolarHBondContact O-N 2.75Å; D166-S168 VanDerWaalsContact O-N 3.1Å; D166-S168 WeakPolarHBondContact OD1-CB 3.47Å; D166-S168 PolarHBondContact OD1-N 3.29Å; D166-S168 PolarHBondContact OD1-OG 3.44Å; D166-S168 PolarHBondContact OD2-OG 3.41Å; S168-W170 VanDerWaalsContact C-N 3.33Å; S168-W170 PolarHBondContact O-N 2.98Å
169	K	97.6	Very high	98.2	Very high	74 Å²	74	39.3 Å²	39.3	32%	0.322	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-36.4	174.4	-60.8	177.5	-176.2	177.1	0	112	T81 E82 L163 D166 Q167 K171 A172	T81-K169 PolarHBondContact OG1-NZ 3.45Å; E82-K169 IonicContact OE1-NZ 3.22Å; E82-K169 PolarHBondContact OE1-NZ 2.82Å; L163-K169 HydrophobicContact CB-CB 4.46Å; L163-K169 VanDerWaalsContact O-CD 3.29Å; L163-K169 WeakPolarHBondContact O-CD 3.41Å; L163-K169 PolarHBondContact O-NZ 2.82Å; L163-K169 VanDerWaalsContact O-NZ 3.15Å; D166-K169 HydrophobicContact CB-CD 4.42Å; D166-K169 HydrophobicContact CB-CG 4.43Å; D166-K169 WeakPolarHBondContact O-CB 3.19Å; D166-K169 PolarHBondContact O-N 3.23Å; D166-K169 VanDerWaalsContact O-N 3.12Å; Q167-K169 PolarHBondContact O-N 3.44Å; K169-K171 VanDerWaalsContact C-N 3.33Å; K169-K171 PolarHBondContact O-N 2.83Å; K169-A172 WeakPolarHBondContact O-CB 3.34Å; K169-A172 PolarHBondContact O-N 3.2Å
170	W	98.6	Very high	98.2	Very high	10 Å²	10	44 Å²	44	4%	0.038	24%	0.242	C	C	.	.	H	α-helix	trans	-66.8	-37.6	-175.8	-57.5	9.6	0	0	0	111.7	V150 K156 F159 S160 G164 Q167 S168 A172 Y173 D174	V150-W170 HydrophobicContact CB-CE3 4.33Å; V150-W170 HydrophobicContact CG1-CB 3.65Å; V150-W170 HydrophobicContact CG1-CE3 4.27Å; K156-W170 HydrophobicContact CB-CZ3 4.45Å; K156-W170 HydrophobicContact CG-CZ3 4.1Å; F159-W170 HydrophobicContact CB-CB 4.39Å; F159-W170 HydrophobicContact CB-CD2 3.38Å; F159-W170 VanDerWaalsContact CB-CE2 3.42Å; F159-W170 HydrophobicContact CB-CE3 3.86Å; F159-W170 HydrophobicContact CB-CG 3.64Å; F159-W170 HydrophobicContact CB-CH2 4.34Å; F159-W170 HydrophobicContact CB-CZ2 3.94Å; F159-W170 HydrophobicContact CB-CZ3 4.31Å; F159-W170 HydrophobicContact CD2-CB 3.66Å; F159-W170 AromaticContact CD2-CD2 3.84Å; F159-W170 HydrophobicContact CD2-CD2 3.84Å; F159-W170 AromaticContact CD2-CE3 3.85Å; F159-W170 HydrophobicContact CD2-CE3 3.85Å; F159-W170 AromaticContact CD2-CG 3.81Å; F159-W170 HydrophobicContact CD2-CG 3.81Å; F159-W170 HydrophobicContact CE2-CB 4.2Å; F159-W170 HydrophobicContact CG-CB 4.28Å; F159-W170 HydrophobicContact CG-CD2 4.09Å; F159-W170 HydrophobicContact CG-CE3 4.39Å; F159-W170 HydrophobicContact CG-CG 4.05Å; F159-W170 PolarHBondContact O-NE1 3.31Å; S160-W170 VanDerWaalsContact OG-CH2 3.26Å; S160-W170 WeakPolarHBondContact OG-CH2 3.29Å; S160-W170 VanDerWaalsContact OG-CZ2 3.29Å; S160-W170 WeakPolarHBondContact OG-CZ2 3.3Å; G164-W170 WeakPolarHBondContact O-CZ2 3.35Å; G164-W170 PolarHBondContact O-NE1 3.29Å; Q167-W170 HydrophobicContact CB-CD2 4.39Å; Q167-W170 HydrophobicContact CG-CD2 4.08Å; Q167-W170 HydrophobicContact CG-CE3 4.01Å; Q167-W170 HydrophobicContact CG-CH2 4.44Å; Q167-W170 HydrophobicContact CG-CZ2 4.48Å; Q167-W170 HydrophobicContact CG-CZ3 4.21Å; Q167-W170 WeakPolarHBondContact O-CB 3.42Å; Q167-W170 PolarHBondContact O-N 2.9Å; S168-W170 VanDerWaalsContact C-N 3.33Å; S168-W170 PolarHBondContact O-N 2.98Å; W170-A172 PolarHBondContact O-N 3.26Å; W170-A172 VanDerWaalsContact O-N 3.15Å; W170-Y173 CarbonylContact O-C 3.28Å; W170-Y173 VanDerWaalsContact O-C 3.29Å; W170-Y173 WeakPolarHBondContact O-CA 3.33Å; W170-Y173 PolarHBondContact O-N 2.91Å; W170-D174 PolarHBondContact O-N 3.22Å
171	K	98.6	Very high	98	Very high	106 Å²	106	45.3 Å²	45.3	46%	0.461	25%	0.251	S	S	.	.	H	α-helix	trans	-59.2	-27.1	177.1	-65.7	177.5	177.5	176.6	0	112.7	Q167 K169 Y173 D174 H177	Q167-K171 PolarHBondContact O-N 3.46Å; K169-K171 VanDerWaalsContact C-N 3.33Å; K169-K171 PolarHBondContact O-N 2.83Å; K171-Y173 PolarHBondContact O-N 2.85Å; K171-D174 PolarHBondContact O-N 3.1Å; K171-H177 HydrophobicContact CB-CB 4.13Å
172	A	98.3	Very high	97.9	Very high	37 Å²	37	44.9 Å²	44.9	31%	0.306	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.2	175.5	0	0	0	0	0	113.4	K132 K169 W170	K132-A172 WeakPolarHBondContact CD-O 3.23Å; K132-A172 PolarHBondContact NZ-O 2.95Å; K169-A172 WeakPolarHBondContact O-CB 3.34Å; K169-A172 PolarHBondContact O-N 3.2Å; W170-A172 PolarHBondContact O-N 3.26Å; W170-A172 VanDerWaalsContact O-N 3.15Å
173	Y	98.8	Very high	97.7	Very high	30 Å²	30	50.1 Å²	50.1	12%	0.118	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127	40.7	174.7	-64.1	-83.2	0	0	0	109.9	V78 D79 Y92 H124 I128 F159 L163 W170 K171	V78-Y173 HydrophobicContact CB-CD1 4.07Å; V78-Y173 HydrophobicContact CB-CE1 4.08Å; V78-Y173 HydrophobicContact CB-CG 4.31Å; V78-Y173 HydrophobicContact CG1-CD1 3.71Å; V78-Y173 HydrophobicContact CG1-CD2 4.24Å; V78-Y173 HydrophobicContact CG1-CE1 4.24Å; V78-Y173 HydrophobicContact CG1-CG 3.71Å; D79-Y173 PolarHBondContact N-OH 2.91Å; Y92-Y173 HydrophobicContact CD2-CE1 4.05Å; Y92-Y173 AromaticContact CG-CE1 3.93Å; Y92-Y173 HydrophobicContact CG-CE1 3.93Å; H124-Y173 PolarHBondContact CE1-O 3.22Å; I128-Y173 HydrophobicContact CD1-CD1 3.92Å; F159-Y173 WeakPolarHBondContact CZ-O 3.29Å; L163-Y173 HydrophobicContact CD1-CD2 3.8Å; L163-Y173 HydrophobicContact CD1-CE2 4.34Å; L163-Y173 HydrophobicContact CD2-CE2 4.28Å; W170-Y173 CarbonylContact O-C 3.28Å; W170-Y173 VanDerWaalsContact O-C 3.29Å; W170-Y173 WeakPolarHBondContact O-CA 3.33Å; W170-Y173 PolarHBondContact O-N 2.91Å; K171-Y173 PolarHBondContact O-N 2.85Å
174	D	98.9	Very high	97.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.289	C	S	.	.			trans	-135.7	119.8	177.5	178.5	-70.3	0	0	0	109.4	N148 P149 V150 W170 K171 T176 H177 L178	N148-D174 VanDerWaalsContact CA-OD2 3.32Å; N148-D174 WeakPolarHBondContact CA-OD2 3.2Å; N148-D174 PolarHBondContact ND2-OD1 3.33Å; N148-D174 PolarHBondContact ND2-OD2 3.1Å; P149-D174 WeakPolarHBondContact CD-OD2 3.49Å; P149-D174 HydrophobicContact CG-CB 4.14Å; P149-D174 VanDerWaalsContact N-OD2 3.13Å; V150-D174 HydrophobicContact CG1-CB 3.9Å; V150-D174 WeakPolarHBondContact CG1-OD2 3.21Å; V150-D174 VanDerWaalsContact CG2-OD2 3.26Å; V150-D174 WeakPolarHBondContact CG2-OD2 3.31Å; V150-D174 PolarHBondContact N-OD2 2.93Å; V150-D174 VanDerWaalsContact N-OD2 3.11Å; W170-D174 PolarHBondContact O-N 3.22Å; K171-D174 PolarHBondContact O-N 3.1Å; D174-T176 PolarHBondContact O-N 2.95Å; D174-T176 WeakPolarHBondContact OD1-CB 3.25Å; D174-T176 PolarHBondContact OD1-N 3.1Å; D174-T176 VanDerWaalsContact OD1-N 3.15Å; D174-H177 HydrophobicContact CB-CB 4.18Å; D174-H177 VanDerWaalsContact CG-ND1 3.3Å; D174-H177 PolarHBondContact O-N 3.33Å; D174-H177 VanDerWaalsContact O-N 3.16Å; D174-H177 IonicContact OD1-CE1 2.83Å; D174-H177 IonicContact OD1-CG 3.03Å; D174-H177 PolarHBondContact OD1-N 3.18Å; D174-H177 IonicContact OD1-ND1 3.41Å; D174-H177 PolarHBondContact OD1-ND1 3.44Å; D174-H177 IonicContact OD2-ND1 3.16Å; D174-L178 WeakPolarHBondContact O-CB 3.32Å; D174-L178 VanDerWaalsContact O-CG 3.26Å; D174-L178 WeakPolarHBondContact O-CG 3.43Å; D174-L178 PolarHBondContact O-N 3.43Å
175	A	98.8	Very high	96.8	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-41.3	-171.6	0	0	0	0	0	111.9	L127 I128 L131 H177 L178 V179 F210	L127-A175 HydrophobicContact CB-CB 3.81Å; L127-A175 HydrophobicContact CD1-CB 4.12Å; I128-A175 HydrophobicContact CG2-CB 4.32Å; L131-A175 HydrophobicContact CD1-CB 4.11Å; A175-H177 VanDerWaalsContact C-N 3.27Å; A175-H177 PolarHBondContact O-N 3.48Å; A175-L178 PolarHBondContact O-N 3.06Å; A175-V179 WeakPolarHBondContact O-CB 3.29Å; A175-V179 WeakPolarHBondContact O-CG1 3.44Å; A175-V179 PolarHBondContact O-N 2.73Å; A175-F210 HydrophobicContact CB-CD2 3.88Å; A175-F210 HydrophobicContact CB-CE2 3.76Å
176	T	98.9	Very high	96.2	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-33.8	175.8	-62.5	0	0	0	0	112.7	C147 D174 K180 N209 F210 A213	C147-T176 PolarHBondContact O-N 3.39Å; C147-T176 PolarHBondContact O-OG1 3.12Å; D174-T176 PolarHBondContact O-N 2.95Å; D174-T176 WeakPolarHBondContact OD1-CB 3.25Å; D174-T176 PolarHBondContact OD1-N 3.1Å; D174-T176 VanDerWaalsContact OD1-N 3.15Å; T176-K180 WeakPolarHBondContact O-CE 3.49Å; T176-K180 WeakPolarHBondContact O-CG 3.4Å; T176-N209 HydrophobicContact CG2-CB 4.1Å; T176-F210 WeakPolarHBondContact OG1-CA 3.48Å; T176-F210 PolarHBondContact OG1-N 3.12Å; T176-A213 HydrophobicContact CG2-CB 4.17Å
177	H	98.8	Very high	95.8	Very high	51 Å²	51	51.4 Å²	51.4	24%	0.236	29%	0.285	C	S	.	.	H	α-helix	trans	-78.4	-47	174.1	-74	74.9	0	0	0	112.3	K171 D174 A175 V179 K180	K171-H177 HydrophobicContact CB-CB 4.13Å; D174-H177 HydrophobicContact CB-CB 4.18Å; D174-H177 VanDerWaalsContact CG-ND1 3.3Å; D174-H177 PolarHBondContact O-N 3.33Å; D174-H177 VanDerWaalsContact O-N 3.16Å; D174-H177 IonicContact OD1-CE1 2.83Å; D174-H177 IonicContact OD1-CG 3.03Å; D174-H177 PolarHBondContact OD1-N 3.18Å; D174-H177 IonicContact OD1-ND1 3.41Å; D174-H177 PolarHBondContact OD1-ND1 3.44Å; D174-H177 IonicContact OD2-ND1 3.16Å; A175-H177 VanDerWaalsContact C-N 3.27Å; A175-H177 PolarHBondContact O-N 3.48Å; H177-V179 VanDerWaalsContact C-N 3.32Å; H177-V179 PolarHBondContact O-N 3.42Å; H177-K180 WeakPolarHBondContact O-CB 3.3Å; H177-K180 PolarHBondContact O-N 3.48Å
178	L	98.6	Very high	95.3	Very high	22 Å²	22	48 Å²	48	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-40.2	-176.2	-74.8	165.4	0	0	0	112.4	I128 L131 K132 D174 A175 K180 S181 Y182	I128-L178 HydrophobicContact CB-CD1 3.83Å; I128-L178 HydrophobicContact CG2-CD1 3.79Å; L131-L178 HydrophobicContact CB-CB 4Å; L131-L178 HydrophobicContact CD1-CB 4.06Å; K132-L178 HydrophobicContact CD-CD1 4.04Å; K132-L178 HydrophobicContact CG-CD1 3.77Å; K132-L178 HydrophobicContact CG-CD2 3.82Å; K132-L178 HydrophobicContact CG-CG 4.45Å; D174-L178 WeakPolarHBondContact O-CB 3.32Å; D174-L178 VanDerWaalsContact O-CG 3.26Å; D174-L178 WeakPolarHBondContact O-CG 3.43Å; D174-L178 PolarHBondContact O-N 3.43Å; A175-L178 PolarHBondContact O-N 3.06Å; L178-K180 PolarHBondContact O-N 3.15Å; L178-S181 CarbonylContact O-C 3.29Å; L178-S181 PolarHBondContact O-N 3.33Å; L178-S181 PolarHBondContact O-OG 3.07Å; L178-S181 VanDerWaalsContact O-OG 3.12Å; L178-Y182 PolarHBondContact O-N 3.48Å
179	V	98.3	Very high	95.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-33	-177.1	77.2	0	0	0	0	112.4	L131 A175 H177 S181 Y182 F210 A213 K217 I219	L131-V179 HydrophobicContact CD1-CB 4.15Å; L131-V179 HydrophobicContact CD2-CB 4.28Å; L131-V179 HydrophobicContact CD2-CG2 4.11Å; A175-V179 WeakPolarHBondContact O-CB 3.29Å; A175-V179 WeakPolarHBondContact O-CG1 3.44Å; A175-V179 PolarHBondContact O-N 2.73Å; H177-V179 VanDerWaalsContact C-N 3.32Å; H177-V179 PolarHBondContact O-N 3.42Å; V179-S181 PolarHBondContact O-N 2.87Å; V179-Y182 PolarHBondContact O-N 3.03Å; V179-F210 HydrophobicContact CB-CE2 3.96Å; V179-F210 HydrophobicContact CG1-CD2 4.27Å; V179-F210 HydrophobicContact CG1-CE2 4.1Å; V179-F210 HydrophobicContact CG2-CE2 4.24Å; V179-A213 HydrophobicContact CG1-CB 3.43Å; V179-A213 VanDerWaalsContact CG1-CB 3.43Å; V179-K217 WeakPolarHBondContact O-CG 3.5Å; V179-I219 HydrophobicContact CG2-CD1 3.56Å; V179-I219 HydrophobicContact CG2-CG1 4.44Å
180	K	97.8	Very high	95.5	Very high	99 Å²	99	41.6 Å²	41.6	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-61.6	-30.5	176.9	-62.9	177.1	-178.2	-174.9	0	112.6	T176 H177 L178 A213 K217	T176-K180 WeakPolarHBondContact O-CE 3.49Å; T176-K180 WeakPolarHBondContact O-CG 3.4Å; H177-K180 WeakPolarHBondContact O-CB 3.3Å; H177-K180 PolarHBondContact O-N 3.48Å; L178-K180 PolarHBondContact O-N 3.15Å; K180-A213 HydrophobicContact CG-CB 4.14Å; K180-K217 WeakPolarHBondContact O-CD 3.21Å; K180-K217 WeakPolarHBondContact O-CE 3.46Å; K180-K217 PolarHBondContact O-NZ 3.32Å
181	S	94.8	Very high	95.5	Very high	85 Å²	85	41.1 Å²	41.1	59%	0.594	23%	0.232	S	C	*	.	H	α-helix	trans	-107.9	3.5	179.4	51.7	0	0	0	0	114.3	L178 V179 P183	L178-S181 CarbonylContact O-C 3.29Å; L178-S181 PolarHBondContact O-N 3.33Å; L178-S181 PolarHBondContact O-OG 3.07Å; L178-S181 VanDerWaalsContact O-OG 3.12Å; V179-S181 PolarHBondContact O-N 2.87Å; S181-P183 WeakPolarHBondContact O-CD 3.19Å
182	Y	97	Very high	95.5	Very high	15 Å²	15	36.1 Å²	36.1	6%	0.059	21%	0.21	C	C	.	.			trans	-60.8	122.6	-175.7	177.2	-106.8	0	0	0	111.4	L131 P134 L178 V179 G184 S185 L187 I219	L131-Y182 HydrophobicContact CB-CD2 4.38Å; L131-Y182 HydrophobicContact CD2-CD2 3.85Å; L131-Y182 HydrophobicContact CD2-CE2 4.42Å; L131-Y182 HydrophobicContact CD2-CG 3.93Å; L131-Y182 WeakPolarHBondContact O-CD2 3.32Å; P134-Y182 HydrophobicContact CB-CE2 3.8Å; L178-Y182 PolarHBondContact O-N 3.48Å; V179-Y182 PolarHBondContact O-N 3.03Å; Y182-G184 WeakPolarHBondContact CE1-O 3.46Å; Y182-G184 VanDerWaalsContact CZ-CA 3.45Å; Y182-G184 WeakPolarHBondContact OH-CA 3.49Å; Y182-S185 VanDerWaalsContact CE1-O 3.24Å; Y182-S185 WeakPolarHBondContact CE1-O 3.32Å; Y182-S185 PolarHBondContact OH-O 3.11Å; Y182-L187 HydrophobicContact CE1-CD1 4.15Å; Y182-L187 HydrophobicContact CE1-CG 4.35Å; Y182-L187 HydrophobicContact CE2-CD1 3.96Å; Y182-L187 WeakPolarHBondContact OH-CD1 3.47Å; Y182-L187 WeakPolarHBondContact OH-CG 3.35Å; Y182-I219 HydrophobicContact CD1-CD1 3.6Å; Y182-I219 HydrophobicContact CE1-CD1 4.37Å; Y182-I219 HydrophobicContact CG-CD1 4.26Å
183	P	94.1	Very high	95.5	Very high	110 Å²	110	34.3 Å²	34.3	71%	0.714	20%	0.196	S	C	*	.			trans	-99.9	-5.9	-176	38.3	-35.5	0	0	0	113.7	P134 S181	P134-P183 HydrophobicContact CG-CG 4.25Å; S181-P183 WeakPolarHBondContact O-CD 3.19Å
184	G	90.6	Very high	95.5	Very high	26 Å²	26	32.9 Å²	32.9	27%	0.268	19%	0.19	S	C	.	.	S	Bend	trans	-77.6	176.9	-171.8	0	0	0	0	0	113.9	Y182	Y182-G184 WeakPolarHBondContact CE1-O 3.46Å; Y182-G184 VanDerWaalsContact CZ-CA 3.45Å; Y182-G184 WeakPolarHBondContact OH-CA 3.49Å
185	S	87.5	Confident	95.5	Very high	88 Å²	88	36.8 Å²	36.8	62%	0.615	21%	0.207	S	C	*	.	S	Bend	trans	-60	156.5	170	60.2	0	0	0	0	110.9	Y182 L187	Y182-S185 VanDerWaalsContact CE1-O 3.24Å; Y182-S185 WeakPolarHBondContact CE1-O 3.32Å; Y182-S185 PolarHBondContact OH-O 3.11Å; S185-L187 PolarHBondContact O-N 2.77Å
186	Q	85.9	Confident	95.5	Very high	129 Å²	129	41.4 Å²	41.4	60%	0.603	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-47	123.1	176.2	-170.2	179.5	-55.2	0	0	111.2	D188 P220	Q186-D188 PolarHBondContact NE2-OD1 3.34Å; Q186-P220 HydrophobicContact CG-CG 3.53Å
187	L	88.5	Confident	95.5	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-99	125.5	167.6	-73	168.2	0	0	0	106.9	A130 L131 V140 Y182 S185 I189	A130-L187 HydrophobicContact CB-CD1 4.17Å; L131-L187 HydrophobicContact CD2-CD1 4.43Å; V140-L187 HydrophobicContact CG1-CD1 4.47Å; Y182-L187 HydrophobicContact CE1-CD1 4.15Å; Y182-L187 HydrophobicContact CE1-CG 4.35Å; Y182-L187 HydrophobicContact CE2-CD1 3.96Å; Y182-L187 WeakPolarHBondContact OH-CD1 3.47Å; Y182-L187 WeakPolarHBondContact OH-CG 3.35Å; S185-L187 PolarHBondContact O-N 2.77Å; L187-I189 HydrophobicContact CB-CG1 4.25Å; L187-I189 PolarHBondContact O-N 2.86Å
188	D	85.4	Confident	95.5	Very high	42 Å²	42	44 Å²	44	23%	0.225	24%	0.243	C	C	.	.			trans	-84.9	107.1	170.8	-69.7	-16.6	0	0	0	107.7	Q186 H246 Y250	Q186-D188 PolarHBondContact NE2-OD1 3.34Å; D188-H246 PolarHBondContact O-CE1 2.65Å; D188-H246 VanDerWaalsContact O-CE1 3.31Å; D188-H246 PolarHBondContact O-NE2 3.31Å; D188-Y250 HydrophobicContact CB-CE1 4.2Å; D188-Y250 VanDerWaalsContact CB-OH 3.23Å; D188-Y250 WeakPolarHBondContact CB-OH 3.48Å; D188-Y250 VanDerWaalsContact CG-OH 3.32Å; D188-Y250 WeakPolarHBondContact OD2-CE1 3.41Å; D188-Y250 VanDerWaalsContact OD2-CZ 3.29Å; D188-Y250 PolarHBondContact OD2-OH 3.26Å
189	I	98.1	Very high	95.5	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.7	-175	-50.1	-176.6	0	0	0	109.5	L127 V140 L187 I191 F210 I219 P220 V221 V222	L127-I189 HydrophobicContact CD2-CG2 3.91Å; V140-I189 HydrophobicContact CG1-CD1 4.45Å; V140-I189 HydrophobicContact CG1-CG1 3.89Å; V140-I189 HydrophobicContact CG1-CG2 4.39Å; V140-I189 WeakPolarHBondContact O-CA 3.38Å; L187-I189 HydrophobicContact CB-CG1 4.25Å; L187-I189 PolarHBondContact O-N 2.86Å; I189-I191 HydrophobicContact CG2-CD1 4.24Å; I189-I191 HydrophobicContact CG2-CG1 4.03Å; I189-F210 HydrophobicContact CD1-CE1 4.01Å; I189-F210 HydrophobicContact CD1-CZ 3.71Å; I189-F210 HydrophobicContact CG2-CE1 4.34Å; I189-I219 HydrophobicContact CD1-CG2 3.95Å; I189-I219 HydrophobicContact CG1-CG2 4.33Å; I189-P220 PolarHBondContact N-O 3.35Å; I189-P220 VanDerWaalsContact N-O 3.16Å; I189-V221 HydrophobicContact CB-CB 4.4Å; I189-V221 HydrophobicContact CB-CG2 4.27Å; I189-V221 HydrophobicContact CG2-CG2 4.32Å; I189-V221 CarbonylContact O-C 3.54Å; I189-V221 WeakPolarHBondContact O-CA 3.38Å; I189-V222 PolarHBondContact O-N 2.94Å
190	L	98.9	Very high	95.5	Very high	12 Å²	12	47.6 Å²	47.6	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.1	169.9	172.1	64	0	0	0	110.3	V140 S141 A142 V222 R224 H246	V140-L190 PolarHBondContact O-N 2.83Å; S141-L190 CarbonylContact C-O 3.57Å; S141-L190 WeakPolarHBondContact CA-O 3.45Å; S141-L190 WeakPolarHBondContact CB-O 3.28Å; A142-L190 PolarHBondContact N-O 3.16Å; L190-V222 HydrophobicContact CD1-CB 4.08Å; L190-V222 HydrophobicContact CD1-CG1 3.98Å; L190-R224 HydrophobicContact CD1-CG 4.41Å; L190-H246 HydrophobicContact CD2-CB 3.93Å
191	I	98.9	Very high	95.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125	174.4	-62.2	175.4	0	0	0	109.6	A142 P145 I189 F210 V221 V222 F223 R224	A142-I191 WeakPolarHBondContact O-CA 3.47Å; P145-I191 HydrophobicContact CG-CD1 4.15Å; P145-I191 HydrophobicContact CG-CG1 4.4Å; P145-I191 HydrophobicContact CG-CG2 3.84Å; I189-I191 HydrophobicContact CG2-CD1 4.24Å; I189-I191 HydrophobicContact CG2-CG1 4.03Å; I191-F210 HydrophobicContact CD1-CD1 3.8Å; I191-F210 HydrophobicContact CD1-CE1 3.86Å; I191-V221 HydrophobicContact CD1-CG2 4.22Å; I191-V222 PolarHBondContact N-O 3.15Å; I191-F223 HydrophobicContact CB-CD2 4.1Å; I191-F223 HydrophobicContact CG2-CD2 3.82Å; I191-F223 HydrophobicContact CG2-CE2 4.13Å; I191-F223 WeakPolarHBondContact O-CA 3.25Å; I191-R224 PolarHBondContact O-N 3.08Å
192	D	98.9	Very high	95.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.9	165.1	-85.9	-88.3	0	0	0	110	A142 F143 A144 R224 Q226 F235 H243	A142-D192 PolarHBondContact O-N 3.5Å; F143-D192 CarbonylContact C-O 3.55Å; F143-D192 WeakPolarHBondContact CA-O 3.36Å; F143-D192 HydrophobicContact CD1-CB 4.29Å; A144-D192 PolarHBondContact N-O 3.37Å; D192-R224 VanDerWaalsContact CG-NE 3.29Å; D192-R224 VanDerWaalsContact CG-NH2 3.31Å; D192-R224 WeakPolarHBondContact OD1-CB 3.42Å; D192-R224 IonicContact OD1-CZ 2.71Å; D192-R224 IonicContact OD1-NE 3.32Å; D192-R224 PolarHBondContact OD1-NE 3.42Å; D192-R224 IonicContact OD1-NH2 3.29Å; D192-R224 PolarHBondContact OD1-NH2 2.97Å; D192-R224 IonicContact OD2-CZ 3.57Å; D192-R224 IonicContact OD2-NE 3.69Å; D192-R224 PolarHBondContact OD2-NE 2.86Å; D192-R224 IonicContact OD2-NH2 2.7Å; D192-R224 PolarHBondContact OD2-NH2 3.34Å; D192-Q226 PolarHBondContact OD1-NE2 2.98Å; D192-F235 HydrophobicContact CB-CE2 4.12Å; D192-F235 HydrophobicContact CB-CZ 3.81Å; D192-H243 IonicContact OD2-CD2 3.84Å; D192-H243 IonicContact OD2-NE2 2.85Å; D192-H243 PolarHBondContact OD2-NE2 2.84Å
193	Q	98.9	Very high	95.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.4	178.9	175.3	61.7	67.8	0	0	109.3	D197 L200 F223 R224 L225 Q226	Q193-D197 PolarHBondContact NE2-OD2 2.82Å; Q193-L200 HydrophobicContact CG-CD1 4.37Å; Q193-L200 HydrophobicContact CG-CD2 3.9Å; Q193-F223 HydrophobicContact CB-CE2 3.61Å; Q193-F223 HydrophobicContact CB-CZ 3.9Å; Q193-F223 HydrophobicContact CG-CE2 4.32Å; Q193-F223 HydrophobicContact CG-CZ 4.29Å; Q193-R224 PolarHBondContact N-O 3.47Å; Q193-L225 HydrophobicContact CB-CD1 4.15Å; Q193-L225 HydrophobicContact CG-CD1 3.8Å; Q193-L225 CarbonylContact O-C 3.59Å; Q193-L225 WeakPolarHBondContact O-CA 3.27Å; Q193-Q226 PolarHBondContact O-N 3.42Å
194	G	98.8	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	132	167	0	0	0	0	0	110.5	D197 Y229	G194-D197 WeakPolarHBondContact O-CB 3.47Å; G194-Y229 CarbonylContact C-O 3.57Å; G194-Y229 VanDerWaalsContact C-O 3.24Å; G194-Y229 WeakPolarHBondContact CA-O 3.13Å
195	K	98.7	Very high	96.4	Very high	81 Å²	81	43.1 Å²	43.1	35%	0.352	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-29.8	178.9	-169.3	179.7	174.1	-170.5	0	112.8	D197 L225 Q226 E227 Y229	K195-D197 PolarHBondContact O-N 3.19Å; K195-L225 HydrophobicContact CB-CD1 3.94Å; K195-L225 HydrophobicContact CB-CD2 4.48Å; K195-L225 HydrophobicContact CB-CG 3.97Å; K195-L225 HydrophobicContact CD-CD2 4.15Å; K195-L225 HydrophobicContact CD-CG 4.38Å; K195-L225 HydrophobicContact CG-CD1 4.23Å; K195-L225 HydrophobicContact CG-CD2 4.07Å; K195-L225 HydrophobicContact CG-CG 4.12Å; K195-Q226 WeakPolarHBondContact CB-O 3.41Å; K195-Q226 PolarHBondContact N-O 3.45Å; K195-E227 WeakPolarHBondContact CD-OE1 3.3Å; K195-E227 WeakPolarHBondContact CD-OE2 3.26Å; K195-E227 WeakPolarHBondContact CE-OE1 3.46Å; K195-E227 IonicContact NZ-OE1 2.64Å; K195-E227 PolarHBondContact NZ-OE1 3.32Å; K195-E227 IonicContact NZ-OE2 2.79Å; K195-E227 PolarHBondContact NZ-OE2 2.79Å; K195-Y229 PolarHBondContact N-O 3.2Å
196	D	98.7	Very high	97	Very high	97 Å²	97	41 Å²	41	52%	0.519	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	19	179	-64.4	-1.3	0	0	0	110.9	Q198 G228 Y229	D196-Q198 PolarHBondContact O-N 3.3Å; D196-G228 WeakPolarHBondContact OD2-CA 3.45Å; D196-Y229 CarbonylContact C-O 3.3Å; D196-Y229 PolarHBondContact N-O 2.98Å
197	D	98.8	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.			trans	-70.1	113.7	174.4	-176.8	-23.6	0	0	0	110.3	A144 Q193 G194 K195 F199 L200 L201 L205 Y229 H231	A144-D197 WeakPolarHBondContact CB-OD2 3.39Å; Q193-D197 PolarHBondContact NE2-OD2 2.82Å; G194-D197 WeakPolarHBondContact O-CB 3.47Å; K195-D197 PolarHBondContact O-N 3.19Å; D197-F199 PolarHBondContact O-N 3.37Å; D197-F199 VanDerWaalsContact O-N 3.14Å; D197-F199 WeakPolarHBondContact OD1-CB 3.37Å; D197-F199 PolarHBondContact OD1-N 2.87Å; D197-L200 HydrophobicContact CB-CB 3.99Å; D197-L200 VanDerWaalsContact O-CB 3.27Å; D197-L200 WeakPolarHBondContact O-CB 3.41Å; D197-L200 PolarHBondContact O-N 3.19Å; D197-L200 PolarHBondContact OD1-N 2.85Å; D197-L201 PolarHBondContact O-N 3.49Å; D197-L205 VanDerWaalsContact OD2-CD1 3.29Å; D197-L205 WeakPolarHBondContact OD2-CD1 3.47Å; D197-Y229 PolarHBondContact N-O 3.1Å; D197-H231 VanDerWaalsContact CG-ND1 3.35Å; D197-H231 WeakPolarHBondContact OD1-CB 3.35Å; D197-H231 IonicContact OD1-CG 2.77Å; D197-H231 IonicContact OD1-ND1 3.31Å; D197-H231 PolarHBondContact OD1-ND1 2.92Å; D197-H231 IonicContact OD2-CE1 3.85Å; D197-H231 IonicContact OD2-CG 3.42Å; D197-H231 IonicContact OD2-ND1 2.65Å; D197-H231 PolarHBondContact OD2-ND1 2.83Å
198	Q	98.7	Very high	98.1	Very high	110 Å²	110	40 Å²	40	51%	0.514	21%	0.208	S	C	.	.	H	α-helix	trans	-55.4	-33.9	179.6	-173.1	60.6	56.4	0	0	112.7	D196 L200 L201 D202	D196-Q198 PolarHBondContact O-N 3.3Å; Q198-L200 VanDerWaalsContact C-N 3.35Å; Q198-L201 WeakPolarHBondContact O-CB 3.48Å; Q198-L201 PolarHBondContact O-N 3.32Å; Q198-D202 PolarHBondContact NE2-OD1 2.86Å; Q198-D202 WeakPolarHBondContact O-CB 3.4Å; Q198-D202 PolarHBondContact O-N 2.91Å
199	F	98.7	Very high	98.7	Very high	57 Å²	57	41 Å²	41	25%	0.25	21%	0.213	C	C	.	.	H	α-helix	trans	-79.3	-20.6	-178.6	-53.6	-57.2	0	0	0	113.1	W154 D197 G203 Q204 L205 H231	W154-F199 HydrophobicContact CH2-CB 3.88Å; W154-F199 AromaticContact CH2-CD1 3.18Å; W154-F199 HydrophobicContact CH2-CD1 3.18Å; W154-F199 AromaticContact CH2-CD2 3.82Å; W154-F199 HydrophobicContact CH2-CD2 3.82Å; W154-F199 AromaticContact CH2-CE1 3.5Å; W154-F199 HydrophobicContact CH2-CE1 3.5Å; W154-F199 VanDerWaalsContact CH2-CE1 3.5Å; W154-F199 HydrophobicContact CH2-CE2 4.09Å; W154-F199 AromaticContact CH2-CG 3.34Å; W154-F199 HydrophobicContact CH2-CG 3.34Å; W154-F199 AromaticContact CH2-CZ 3.93Å; W154-F199 HydrophobicContact CH2-CZ 3.93Å; W154-F199 AromaticContact CZ2-CD1 3.37Å; W154-F199 HydrophobicContact CZ2-CD1 3.37Å; W154-F199 AromaticContact CZ2-CE1 3.43Å; W154-F199 HydrophobicContact CZ2-CE1 3.43Å; W154-F199 VanDerWaalsContact CZ2-CE1 3.43Å; W154-F199 HydrophobicContact CZ2-CG 4.04Å; W154-F199 HydrophobicContact CZ2-CZ 4.14Å; W154-F199 HydrophobicContact CZ3-CB 4.27Å; W154-F199 HydrophobicContact CZ3-CD1 4.31Å; W154-F199 HydrophobicContact CZ3-CG 4.17Å; D197-F199 PolarHBondContact O-N 3.37Å; D197-F199 VanDerWaalsContact O-N 3.14Å; D197-F199 WeakPolarHBondContact OD1-CB 3.37Å; D197-F199 PolarHBondContact OD1-N 2.87Å; F199-G203 PolarHBondContact O-N 3.43Å; F199-Q204 HydrophobicContact CB-CB 4.15Å; F199-Q204 HydrophobicContact CB-CG 4.29Å; F199-Q204 WeakPolarHBondContact O-CB 3.45Å; F199-Q204 PolarHBondContact O-N 3.17Å; F199-L205 HydrophobicContact CB-CD1 4.4Å; F199-L205 HydrophobicContact CB-CD2 4.29Å; F199-L205 HydrophobicContact CB-CG 4.24Å; F199-H231 HydrophobicContact CD2-CB 3.86Å; F199-H231 AromaticContact CD2-CD2 3.47Å; F199-H231 VanDerWaalsContact CD2-CD2 3.47Å; F199-H231 WeakPolarHBondContact CD2-CD2 3.31Å; F199-H231 AromaticContact CD2-CE1 3.87Å; F199-H231 AromaticContact CD2-CG 3.44Å; F199-H231 VanDerWaalsContact CD2-CG 3.44Å; F199-H231 AromaticContact CD2-ND1 3.7Å; F199-H231 AromaticContact CD2-NE2 3.74Å; F199-H231 HydrophobicContact CE2-CB 4.1Å; F199-H231 AromaticContact CE2-CD2 3.55Å; F199-H231 AromaticContact CE2-CG 3.84Å
200	L	98.6	Very high	98.7	Very high	40 Å²	40	40.9 Å²	40.9	21%	0.209	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-49.3	164.2	-178.5	64.4	0	0	0	109.7	Q193 D197 Q198 D202 G203 L205 P207 L225	Q193-L200 HydrophobicContact CG-CD1 4.37Å; Q193-L200 HydrophobicContact CG-CD2 3.9Å; D197-L200 HydrophobicContact CB-CB 3.99Å; D197-L200 VanDerWaalsContact O-CB 3.27Å; D197-L200 WeakPolarHBondContact O-CB 3.41Å; D197-L200 PolarHBondContact O-N 3.19Å; D197-L200 PolarHBondContact OD1-N 2.85Å; Q198-L200 VanDerWaalsContact C-N 3.35Å; L200-D202 VanDerWaalsContact C-N 3.31Å; L200-D202 PolarHBondContact O-N 3.11Å; L200-G203 PolarHBondContact O-N 3.34Å; L200-G203 VanDerWaalsContact O-N 3.08Å; L200-L205 HydrophobicContact CB-CD1 4.09Å; L200-L205 HydrophobicContact CD1-CB 4.35Å; L200-P207 HydrophobicContact CD1-CG 3.87Å; L200-L225 HydrophobicContact CD2-CD1 4.29Å
201	L	98.3	Very high	98.7	Very high	118 Å²	118	41.9 Å²	41.9	62%	0.618	22%	0.218	S	C	*	.	H	α-helix	trans	-63.4	-36.4	-179.4	-56.5	177.9	0	0	0	112.3	D197 Q198 G203	D197-L201 PolarHBondContact O-N 3.49Å; Q198-L201 WeakPolarHBondContact O-CB 3.48Å; Q198-L201 PolarHBondContact O-N 3.32Å; L201-G203 PolarHBondContact O-N 3.18Å
202	D	98.3	Very high	98.7	Very high	85 Å²	85	44.3 Å²	44.3	46%	0.455	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.8	177.2	-65.1	-12	0	0	0	113.3	Q198 L200 Q204	Q198-D202 PolarHBondContact NE2-OD1 2.86Å; Q198-D202 WeakPolarHBondContact O-CB 3.4Å; Q198-D202 PolarHBondContact O-N 2.91Å; L200-D202 VanDerWaalsContact C-N 3.31Å; L200-D202 PolarHBondContact O-N 3.11Å; D202-Q204 HydrophobicContact CB-CG 4.32Å
203	G	98.4	Very high	98.7	Very high	24 Å²	24	44.4 Å²	44.4	25%	0.247	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	26.2	178.3	0	0	0	0	0	114.2	C152 F199 L200 L201 L206	C152-G203 WeakPolarHBondContact CB-O 3.3Å; F199-G203 PolarHBondContact O-N 3.43Å; L200-G203 PolarHBondContact O-N 3.34Å; L200-G203 VanDerWaalsContact O-N 3.08Å; L201-G203 PolarHBondContact O-N 3.18Å; G203-L206 WeakPolarHBondContact O-CG 3.45Å
204	Q	98.8	Very high	98.6	Very high	14 Å²	14	44.4 Å²	44.4	7%	0.065	24%	0.239	C	C	.	.	S	Bend	trans	-79.5	-37.6	176.6	-59.9	-67.8	-1.5	0	0	112.4	C152 W154 F199 D202	C152-Q204 WeakPolarHBondContact CB-O 3.44Å; C152-Q204 PolarHBondContact SG-O 3.26Å; W154-Q204 HydrophobicContact CD2-CB 4.25Å; W154-Q204 HydrophobicContact CD2-CG 3.8Å; W154-Q204 HydrophobicContact CE3-CB 3.69Å; W154-Q204 HydrophobicContact CE3-CG 3.73Å; W154-Q204 HydrophobicContact CG-CG 4.49Å; W154-Q204 VanDerWaalsContact CG-OE1 3.31Å; W154-Q204 HydrophobicContact CH2-CB 4.32Å; W154-Q204 HydrophobicContact CH2-CG 4.03Å; W154-Q204 HydrophobicContact CZ2-CG 3.99Å; W154-Q204 HydrophobicContact CZ3-CB 3.76Å; W154-Q204 HydrophobicContact CZ3-CG 3.88Å; F199-Q204 HydrophobicContact CB-CB 4.15Å; F199-Q204 HydrophobicContact CB-CG 4.29Å; F199-Q204 WeakPolarHBondContact O-CB 3.45Å; F199-Q204 PolarHBondContact O-N 3.17Å; D202-Q204 HydrophobicContact CB-CG 4.32Å
205	L	98.9	Very high	98.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-89.1	-43.7	-164.6	-53	-174.5	0	0	0	112.9	A144 I146 C147 D197 F199 L200 P207	A144-L205 HydrophobicContact CB-CD1 3.94Å; A144-L205 WeakPolarHBondContact O-CD2 3.48Å; I146-L205 HydrophobicContact CG1-CD2 3.92Å; C147-L205 VanDerWaalsContact CB-O 3.31Å; C147-L205 WeakPolarHBondContact CB-O 3.16Å; C147-L205 PolarHBondContact N-O 3.5Å; D197-L205 VanDerWaalsContact OD2-CD1 3.29Å; D197-L205 WeakPolarHBondContact OD2-CD1 3.47Å; F199-L205 HydrophobicContact CB-CD1 4.4Å; F199-L205 HydrophobicContact CB-CD2 4.29Å; F199-L205 HydrophobicContact CB-CG 4.24Å; L200-L205 HydrophobicContact CB-CD1 4.09Å; L200-L205 HydrophobicContact CD1-CB 4.35Å; L205-P207 VanDerWaalsContact C-CD 3.47Å
206	L	98.8	Very high	98.4	Very high	44 Å²	44	52.3 Å²	52.3	23%	0.23	28%	0.284	C	S	.	.			trans	50.2	47.4	175	-53.1	175.1	0	0	0	114.6	N148 L151 C152 G203 D208 N209	N148-L206 HydrophobicContact CB-CB 4.09Å; N148-L206 HydrophobicContact CB-CD1 4.1Å; L151-L206 HydrophobicContact CB-CD1 3.88Å; C152-L206 HydrophobicContact CB-CD1 4.11Å; G203-L206 WeakPolarHBondContact O-CG 3.45Å; L206-D208 VanDerWaalsContact C-N 3.32Å; L206-D208 PolarHBondContact O-N 2.65Å; L206-N209 PolarHBondContact O-N 2.57Å
207	P	98.8	Very high	98.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.013	28%	0.277	C	S	.	.	H	α-helix	trans	-63.3	-34.3	-176.4	26.5	-34.9	0	0	0	113.4	L200 L205 N209 F210 I211 F223	L200-P207 HydrophobicContact CD1-CG 3.87Å; L205-P207 VanDerWaalsContact C-CD 3.47Å; P207-N209 VanDerWaalsContact C-N 3.25Å; P207-N209 PolarHBondContact O-N 3.49Å; P207-F210 WeakPolarHBondContact O-CB 3.35Å; P207-F210 PolarHBondContact O-N 2.95Å; P207-I211 WeakPolarHBondContact O-CG1 3.27Å; P207-I211 PolarHBondContact O-N 3.34Å; P207-F223 HydrophobicContact CB-CE2 3.83Å; P207-F223 HydrophobicContact CB-CZ 4.3Å; P207-F223 HydrophobicContact CG-CE2 4.16Å; P207-F223 HydrophobicContact CG-CZ 4.21Å
208	D	98.8	Very high	98.1	Very high	111 Å²	111	60.5 Å²	60.5	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-58.4	-36.7	-178.8	-63.3	-38.3	0	0	0	112.7	L206 F210 I211 A212	L206-D208 VanDerWaalsContact C-N 3.32Å; L206-D208 PolarHBondContact O-N 2.65Å; D208-F210 VanDerWaalsContact C-N 3.31Å; D208-F210 PolarHBondContact O-N 3.41Å; D208-I211 PolarHBondContact O-N 3.29Å; D208-A212 WeakPolarHBondContact O-CB 3.26Å; D208-A212 PolarHBondContact O-N 3.41Å
209	N	98.9	Very high	97.9	Very high	63 Å²	63	56 Å²	56	34%	0.337	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-40.6	176.6	-69.6	1.1	0	0	0	111.6	N148 T176 L206 P207 A213	N148-N209 HydrophobicContact CB-CB 4.33Å; N148-N209 PolarHBondContact OD1-ND2 3.24Å; T176-N209 HydrophobicContact CG2-CB 4.1Å; L206-N209 PolarHBondContact O-N 2.57Å; P207-N209 VanDerWaalsContact C-N 3.25Å; P207-N209 PolarHBondContact O-N 3.49Å; N209-A213 WeakPolarHBondContact O-CB 3.23Å; N209-A213 PolarHBondContact O-N 3.41Å
210	F	98.8	Very high	97.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-72.7	-41.5	178.7	179.7	-104	0	0	0	111.5	L127 L131 C147 A175 T176 V179 I189 I191 P207 D208 A212 A213 C214	L127-F210 HydrophobicContact CD1-CE1 4.46Å; L127-F210 HydrophobicContact CD1-CZ 4.43Å; L127-F210 HydrophobicContact CD2-CE1 4.26Å; L127-F210 HydrophobicContact CD2-CZ 4.04Å; L131-F210 HydrophobicContact CD1-CE2 4.09Å; C147-F210 HydrophobicContact CB-CB 3.66Å; C147-F210 HydrophobicContact CB-CG 4.38Å; A175-F210 HydrophobicContact CB-CD2 3.88Å; A175-F210 HydrophobicContact CB-CE2 3.76Å; T176-F210 WeakPolarHBondContact OG1-CA 3.48Å; T176-F210 PolarHBondContact OG1-N 3.12Å; V179-F210 HydrophobicContact CB-CE2 3.96Å; V179-F210 HydrophobicContact CG1-CD2 4.27Å; V179-F210 HydrophobicContact CG1-CE2 4.1Å; V179-F210 HydrophobicContact CG2-CE2 4.24Å; I189-F210 HydrophobicContact CD1-CE1 4.01Å; I189-F210 HydrophobicContact CD1-CZ 3.71Å; I189-F210 HydrophobicContact CG2-CE1 4.34Å; I191-F210 HydrophobicContact CD1-CD1 3.8Å; I191-F210 HydrophobicContact CD1-CE1 3.86Å; P207-F210 WeakPolarHBondContact O-CB 3.35Å; P207-F210 PolarHBondContact O-N 2.95Å; D208-F210 VanDerWaalsContact C-N 3.31Å; D208-F210 PolarHBondContact O-N 3.41Å; F210-A212 VanDerWaalsContact C-N 3.34Å; F210-A212 PolarHBondContact O-N 3.37Å; F210-A213 PolarHBondContact O-N 3.34Å; F210-C214 WeakPolarHBondContact CE1-SG 3.29Å; F210-C214 VanDerWaalsContact CZ-SG 3.52Å; F210-C214 PolarHBondContact O-N 3.41Å; F210-C214 PolarHBondContact O-SG 3.49Å
211	I	98.5	Very high	97.7	Very high	34 Å²	34	55.2 Å²	55.2	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-58.9	-48	176.4	-63.8	163.4	0	0	0	110.1	P207 D208 A213 C214 T215 V221 F223	P207-I211 WeakPolarHBondContact O-CG1 3.27Å; P207-I211 PolarHBondContact O-N 3.34Å; D208-I211 PolarHBondContact O-N 3.29Å; I211-A213 VanDerWaalsContact C-N 3.32Å; I211-A213 PolarHBondContact O-N 3.5Å; I211-C214 WeakPolarHBondContact O-CB 3.2Å; I211-C214 PolarHBondContact O-N 3.17Å; I211-T215 PolarHBondContact O-N 3.48Å; I211-T215 PolarHBondContact O-OG1 2.95Å; I211-T215 VanDerWaalsContact O-OG1 3.06Å; I211-V221 HydrophobicContact CG2-CG1 4.23Å; I211-F223 HydrophobicContact CD1-CB 3.7Å; I211-F223 HydrophobicContact CD1-CD1 3.59Å; I211-F223 HydrophobicContact CD1-CD2 3.7Å; I211-F223 HydrophobicContact CD1-CE1 4.06Å; I211-F223 HydrophobicContact CD1-CE2 4.17Å; I211-F223 HydrophobicContact CD1-CG 3.37Å; I211-F223 HydrophobicContact CD1-CZ 4.33Å; I211-F223 HydrophobicContact CG1-CB 4.24Å; I211-F223 HydrophobicContact CG1-CG 4.34Å
212	A	98.7	Very high	97.7	Very high	51 Å²	51	53.7 Å²	53.7	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-57.7	-44.8	176.5	0	0	0	0	0	112	D208 F210 C214 T215 E216	D208-A212 WeakPolarHBondContact O-CB 3.26Å; D208-A212 PolarHBondContact O-N 3.41Å; F210-A212 VanDerWaalsContact C-N 3.34Å; F210-A212 PolarHBondContact O-N 3.37Å; A212-C214 PolarHBondContact O-N 3.29Å; A212-T215 PolarHBondContact O-N 3.23Å; A212-E216 WeakPolarHBondContact O-CG 3.21Å; A212-E216 PolarHBondContact O-N 3.25Å
213	A	98.4	Very high	97.7	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-37.5	177.7	0	0	0	0	0	112.9	T176 V179 K180 N209 F210 I211 K217	T176-A213 HydrophobicContact CG2-CB 4.17Å; V179-A213 HydrophobicContact CG1-CB 3.43Å; V179-A213 VanDerWaalsContact CG1-CB 3.43Å; K180-A213 HydrophobicContact CG-CB 4.14Å; N209-A213 WeakPolarHBondContact O-CB 3.23Å; N209-A213 PolarHBondContact O-N 3.41Å; F210-A213 PolarHBondContact O-N 3.34Å; I211-A213 VanDerWaalsContact C-N 3.32Å; I211-A213 PolarHBondContact O-N 3.5Å; A213-K217 WeakPolarHBondContact O-CB 3.48Å; A213-K217 PolarHBondContact O-N 3.29Å
214	C	97.8	Very high	97.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-45.7	171.3	-76.4	0	0	0	0	111.6	F210 I211 A212 E216 K217 K218 I219 V221	F210-C214 WeakPolarHBondContact CE1-SG 3.29Å; F210-C214 VanDerWaalsContact CZ-SG 3.52Å; F210-C214 PolarHBondContact O-N 3.41Å; F210-C214 PolarHBondContact O-SG 3.49Å; I211-C214 WeakPolarHBondContact O-CB 3.2Å; I211-C214 PolarHBondContact O-N 3.17Å; A212-C214 PolarHBondContact O-N 3.29Å; C214-E216 PolarHBondContact O-N 3.43Å; C214-K217 CarbonylContact O-C 3.59Å; C214-K217 PolarHBondContact O-N 3.13Å; C214-K218 PolarHBondContact O-N 3.32Å; C214-I219 HydrophobicContact CB-CB 4.39Å; C214-I219 PolarHBondContact O-N 3.01Å; C214-V221 HydrophobicContact CB-CB 4.31Å; C214-V221 HydrophobicContact CB-CG1 3.78Å
215	T	97	Very high	97.8	Very high	98 Å²	98	57.3 Å²	57.3	60%	0.601	30%	0.298	S	S	*	.	H	α-helix	trans	-59.6	-47	178.3	-60.2	0	0	0	0	111.6	I211 A212 K217 K218	I211-T215 PolarHBondContact O-N 3.48Å; I211-T215 PolarHBondContact O-OG1 2.95Å; I211-T215 VanDerWaalsContact O-OG1 3.06Å; A212-T215 PolarHBondContact O-N 3.23Å; T215-K217 VanDerWaalsContact C-N 3.26Å; T215-K217 PolarHBondContact O-N 3.11Å; T215-K218 PolarHBondContact O-N 2.66Å; T215-K218 VanDerWaalsContact O-N 3.11Å
216	E	96.6	Very high	97.7	Very high	148 Å²	148	59.1 Å²	59.1	69%	0.692	31%	0.306	S	S	*	.	H	α-helix	trans	-59	-38.7	176.2	-73	178.5	176.9	0	0	112.1	A212 C214 K218	A212-E216 WeakPolarHBondContact O-CG 3.21Å; A212-E216 PolarHBondContact O-N 3.25Å; C214-E216 PolarHBondContact O-N 3.43Å; E216-K218 VanDerWaalsContact C-N 3.33Å
217	K	95.3	Very high	97.7	Very high	87 Å²	87	62.8 Å²	62.8	38%	0.378	32%	0.322	S	S	.	.	H	α-helix	trans	-86	-1.7	178.8	-72.9	-70.1	-65.6	-162.9	0	114.8	V179 K180 A213 C214 T215 I219	V179-K217 WeakPolarHBondContact O-CG 3.5Å; K180-K217 WeakPolarHBondContact O-CD 3.21Å; K180-K217 WeakPolarHBondContact O-CE 3.46Å; K180-K217 PolarHBondContact O-NZ 3.32Å; A213-K217 WeakPolarHBondContact O-CB 3.48Å; A213-K217 PolarHBondContact O-N 3.29Å; C214-K217 CarbonylContact O-C 3.59Å; C214-K217 PolarHBondContact O-N 3.13Å; T215-K217 VanDerWaalsContact C-N 3.26Å; T215-K217 PolarHBondContact O-N 3.11Å; K217-I219 HydrophobicContact CB-CD1 4.46Å; K217-I219 HydrophobicContact CB-CG1 4.07Å; K217-I219 PolarHBondContact O-N 3.13Å
218	K	95	Very high	97.7	Very high	183 Å²	183	65.4 Å²	65.4	80%	0.796	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	34	-175.1	-50.9	179.7	-179.6	179	0	112.5	C214 T215 E216	C214-K218 PolarHBondContact O-N 3.32Å; T215-K218 PolarHBondContact O-N 2.66Å; T215-K218 VanDerWaalsContact O-N 3.11Å; E216-K218 VanDerWaalsContact C-N 3.33Å
219	I	94.8	Very high	97.7	Very high	16 Å²	16	63.8 Å²	63.8	8%	0.082	34%	0.336	C	S	.	.			trans	-86.5	121.2	169.3	-60.5	-168.6	0	0	0	107.3	V179 Y182 I189 C214 K217 V221	V179-I219 HydrophobicContact CG2-CD1 3.56Å; V179-I219 HydrophobicContact CG2-CG1 4.44Å; Y182-I219 HydrophobicContact CD1-CD1 3.6Å; Y182-I219 HydrophobicContact CE1-CD1 4.37Å; Y182-I219 HydrophobicContact CG-CD1 4.26Å; I189-I219 HydrophobicContact CD1-CG2 3.95Å; I189-I219 HydrophobicContact CG1-CG2 4.33Å; C214-I219 HydrophobicContact CB-CB 4.39Å; C214-I219 PolarHBondContact O-N 3.01Å; K217-I219 HydrophobicContact CB-CD1 4.46Å; K217-I219 HydrophobicContact CB-CG1 4.07Å; K217-I219 PolarHBondContact O-N 3.13Å; I219-V221 PolarHBondContact O-N 3.45Å
220	P	95	Very high	97.7	Very high	47 Å²	47	64.2 Å²	64.2	31%	0.305	34%	0.338	S	S	.	.			trans	-65.1	127.8	178	-2.6	10.8	0	0	0	110.6	Q186 I189	Q186-P220 HydrophobicContact CG-CG 3.53Å; I189-P220 PolarHBondContact N-O 3.35Å; I189-P220 VanDerWaalsContact N-O 3.16Å
221	V	97.8	Very high	97.7	Very high	32 Å²	32	65.6 Å²	65.6	19%	0.194	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.9	171.6	58.3	0	0	0	0	108	I189 I191 I211 C214 I219	I189-V221 HydrophobicContact CB-CB 4.4Å; I189-V221 HydrophobicContact CB-CG2 4.27Å; I189-V221 HydrophobicContact CG2-CG2 4.32Å; I189-V221 CarbonylContact O-C 3.54Å; I189-V221 WeakPolarHBondContact O-CA 3.38Å; I191-V221 HydrophobicContact CD1-CG2 4.22Å; I211-V221 HydrophobicContact CG2-CG1 4.23Å; C214-V221 HydrophobicContact CB-CB 4.31Å; C214-V221 HydrophobicContact CB-CG1 3.78Å; I219-V221 PolarHBondContact O-N 3.45Å
222	V	98.6	Very high	97.7	Very high	87 Å²	87	65.5 Å²	65.5	53%	0.527	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	105	166.5	-177.2	0	0	0	0	106.2	I189 L190 I191 R224	I189-V222 PolarHBondContact O-N 2.94Å; L190-V222 HydrophobicContact CD1-CB 4.08Å; L190-V222 HydrophobicContact CD1-CG1 3.98Å; I191-V222 PolarHBondContact N-O 3.15Å; V222-R224 HydrophobicContact CG1-CG 4.15Å
223	F	98.8	Very high	97.7	Very high	61 Å²	61	64.1 Å²	64.1	27%	0.268	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.5	173.7	175.4	-108.2	0	0	0	109.9	I191 Q193 P207 I211 L225	I191-F223 HydrophobicContact CB-CD2 4.1Å; I191-F223 HydrophobicContact CG2-CD2 3.82Å; I191-F223 HydrophobicContact CG2-CE2 4.13Å; I191-F223 WeakPolarHBondContact O-CA 3.25Å; Q193-F223 HydrophobicContact CB-CE2 3.61Å; Q193-F223 HydrophobicContact CB-CZ 3.9Å; Q193-F223 HydrophobicContact CG-CE2 4.32Å; Q193-F223 HydrophobicContact CG-CZ 4.29Å; P207-F223 HydrophobicContact CB-CE2 3.83Å; P207-F223 HydrophobicContact CB-CZ 4.3Å; P207-F223 HydrophobicContact CG-CE2 4.16Å; P207-F223 HydrophobicContact CG-CZ 4.21Å; I211-F223 HydrophobicContact CD1-CB 3.7Å; I211-F223 HydrophobicContact CD1-CD1 3.59Å; I211-F223 HydrophobicContact CD1-CD2 3.7Å; I211-F223 HydrophobicContact CD1-CE1 4.06Å; I211-F223 HydrophobicContact CD1-CE2 4.17Å; I211-F223 HydrophobicContact CD1-CG 3.37Å; I211-F223 HydrophobicContact CD1-CZ 4.33Å; I211-F223 HydrophobicContact CG1-CB 4.24Å; I211-F223 HydrophobicContact CG1-CG 4.34Å; F223-L225 HydrophobicContact CE1-CB 3.93Å; F223-L225 HydrophobicContact CZ-CB 4.23Å; F223-L225 HydrophobicContact CZ-CD1 4.18Å
224	R	98.9	Very high	97.8	Very high	63 Å²	63	73.3 Å²	73.3	24%	0.238	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.1	179.1	-53.2	-165.5	-65.3	178	0.2	109.4	L190 I191 D192 Q193 V222 D242	L190-R224 HydrophobicContact CD1-CG 4.41Å; I191-R224 PolarHBondContact O-N 3.08Å; D192-R224 VanDerWaalsContact CG-NE 3.29Å; D192-R224 VanDerWaalsContact CG-NH2 3.31Å; D192-R224 WeakPolarHBondContact OD1-CB 3.42Å; D192-R224 IonicContact OD1-CZ 2.71Å; D192-R224 IonicContact OD1-NE 3.32Å; D192-R224 PolarHBondContact OD1-NE 3.42Å; D192-R224 IonicContact OD1-NH2 3.29Å; D192-R224 PolarHBondContact OD1-NH2 2.97Å; D192-R224 IonicContact OD2-CZ 3.57Å; D192-R224 IonicContact OD2-NE 3.69Å; D192-R224 PolarHBondContact OD2-NE 2.86Å; D192-R224 IonicContact OD2-NH2 2.7Å; D192-R224 PolarHBondContact OD2-NH2 3.34Å; Q193-R224 PolarHBondContact N-O 3.47Å; V222-R224 HydrophobicContact CG1-CG 4.15Å; R224-D242 IonicContact CZ-OD2 3.79Å; R224-D242 IonicContact NH1-OD2 3.12Å; R224-D242 PolarHBondContact NH1-OD2 3.48Å; R224-D242 IonicContact NH2-OD2 3.75Å; R224-D242 PolarHBondContact NH2-OD2 2.71Å; R224-D242 VanDerWaalsContact NH2-OD2 3.11Å
225	L	98.8	Very high	97.8	Very high	75 Å²	75	73.3 Å²	73.3	39%	0.393	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.5	174.3	-172.3	64.9	0	0	0	109.1	Q193 K195 L200 F223	Q193-L225 HydrophobicContact CB-CD1 4.15Å; Q193-L225 HydrophobicContact CG-CD1 3.8Å; Q193-L225 CarbonylContact O-C 3.59Å; Q193-L225 WeakPolarHBondContact O-CA 3.27Å; K195-L225 HydrophobicContact CB-CD1 3.94Å; K195-L225 HydrophobicContact CB-CD2 4.48Å; K195-L225 HydrophobicContact CB-CG 3.97Å; K195-L225 HydrophobicContact CD-CD2 4.15Å; K195-L225 HydrophobicContact CD-CG 4.38Å; K195-L225 HydrophobicContact CG-CD1 4.23Å; K195-L225 HydrophobicContact CG-CD2 4.07Å; K195-L225 HydrophobicContact CG-CG 4.12Å; L200-L225 HydrophobicContact CD2-CD1 4.29Å; F223-L225 HydrophobicContact CE1-CB 3.93Å; F223-L225 HydrophobicContact CZ-CB 4.23Å; F223-L225 HydrophobicContact CZ-CD1 4.18Å
226	Q	98.8	Very high	97.9	Very high	37 Å²	37	68.6 Å²	68.6	17%	0.173	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	110.1	-168.8	-57.3	-67.2	-1.5	0	0	110.2	D192 Q193 K195 Y229 F235 F239	D192-Q226 PolarHBondContact OD1-NE2 2.98Å; Q193-Q226 PolarHBondContact O-N 3.42Å; K195-Q226 WeakPolarHBondContact CB-O 3.41Å; K195-Q226 PolarHBondContact N-O 3.45Å; Q226-Y229 HydrophobicContact CB-CD2 3.69Å; Q226-Y229 HydrophobicContact CB-CG 4.14Å; Q226-Y229 PolarHBondContact O-N 3.11Å; Q226-F235 HydrophobicContact CB-CE2 4.44Å; Q226-F235 HydrophobicContact CG-CE2 4.19Å; Q226-F239 HydrophobicContact CB-CE2 4.03Å; Q226-F239 HydrophobicContact CB-CZ 4.04Å; Q226-F239 HydrophobicContact CG-CD2 4.32Å; Q226-F239 HydrophobicContact CG-CE1 4.27Å; Q226-F239 HydrophobicContact CG-CE2 3.63Å; Q226-F239 HydrophobicContact CG-CZ 3.59Å
227	E	98.6	Very high	98	Very high	122 Å²	122	63.4 Å²	63.4	57%	0.57	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	135.8	179.3	-62	-71.2	154	0	0	111.5	K195 Y229	K195-E227 WeakPolarHBondContact CD-OE1 3.3Å; K195-E227 WeakPolarHBondContact CD-OE2 3.26Å; K195-E227 WeakPolarHBondContact CE-OE1 3.46Å; K195-E227 IonicContact NZ-OE1 2.64Å; K195-E227 PolarHBondContact NZ-OE1 3.32Å; K195-E227 IonicContact NZ-OE2 2.79Å; K195-E227 PolarHBondContact NZ-OE2 2.79Å; E227-Y229 VanDerWaalsContact O-CD2 3.29Å; E227-Y229 WeakPolarHBondContact O-CD2 3.32Å; E227-Y229 PolarHBondContact O-N 2.79Å
228	G	98.4	Very high	98.2	Very high	56 Å²	56	62.5 Å²	62.5	58%	0.577	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-0.3	177.3	0	0	0	0	0	115.6	D196	D196-G228 WeakPolarHBondContact OD2-CA 3.45Å
229	Y	98.9	Very high	98.4	Very high	78 Å²	78	54.9 Å²	54.9	31%	0.306	29%	0.288	S	S	.	.			trans	-97	141.6	179	-75.7	-82.2	0	0	0	112.2	G194 K195 D196 D197 Q226 E227 F235 T238 F239	G194-Y229 CarbonylContact C-O 3.57Å; G194-Y229 VanDerWaalsContact C-O 3.24Å; G194-Y229 WeakPolarHBondContact CA-O 3.13Å; K195-Y229 PolarHBondContact N-O 3.2Å; D196-Y229 CarbonylContact C-O 3.3Å; D196-Y229 PolarHBondContact N-O 2.98Å; D197-Y229 PolarHBondContact N-O 3.1Å; Q226-Y229 HydrophobicContact CB-CD2 3.69Å; Q226-Y229 HydrophobicContact CB-CG 4.14Å; Q226-Y229 PolarHBondContact O-N 3.11Å; E227-Y229 VanDerWaalsContact O-CD2 3.29Å; E227-Y229 WeakPolarHBondContact O-CD2 3.32Å; E227-Y229 PolarHBondContact O-N 2.79Å; Y229-F235 HydrophobicContact CD1-CB 3.94Å; Y229-F235 AromaticContact CD1-CD2 3.96Å; Y229-F235 HydrophobicContact CD1-CD2 3.96Å; Y229-F235 HydrophobicContact CD1-CG 4.46Å; Y229-F235 AromaticContact CG-CD2 3.98Å; Y229-F235 HydrophobicContact CG-CD2 3.98Å; Y229-T238 HydrophobicContact CE1-CG2 3.91Å; Y229-T238 WeakPolarHBondContact CE1-OG1 3.32Å; Y229-T238 VanDerWaalsContact OH-CG2 3.3Å; Y229-T238 WeakPolarHBondContact OH-CG2 3.43Å; Y229-F239 HydrophobicContact CD1-CE2 4.14Å; Y229-F239 HydrophobicContact CD2-CE2 4Å; Y229-F239 HydrophobicContact CD2-CZ 4.11Å; Y229-F239 HydrophobicContact CE1-CE2 4.11Å; Y229-F239 AromaticContact CE2-CE2 3.97Å; Y229-F239 HydrophobicContact CE2-CE2 3.97Å; Y229-F239 AromaticContact CE2-CZ 3.78Å; Y229-F239 HydrophobicContact CE2-CZ 3.78Å; Y229-F239 HydrophobicContact CG-CE2 4.08Å
230	D	98.7	Very high	98.6	Very high	71 Å²	71	54.2 Å²	54.2	38%	0.38	29%	0.285	S	S	.	.			trans	-103.2	-161.4	-179	69.1	7.6	0	0	0	112.3	S232 F235	D230-S232 WeakPolarHBondContact OD1-CB 3.41Å; D230-S232 PolarHBondContact OD1-N 2.9Å; D230-S232 PolarHBondContact OD1-OG 3.01Å; D230-S232 PolarHBondContact OD2-OG 3.41Å; D230-F235 VanDerWaalsContact O-CB 3.27Å; D230-F235 WeakPolarHBondContact O-CB 3.31Å; D230-F235 VanDerWaalsContact O-CD1 3.25Å; D230-F235 WeakPolarHBondContact O-CD1 3.49Å; D230-F235 VanDerWaalsContact O-CG 3.27Å; D230-F235 WeakPolarHBondContact O-CG 3.47Å
231	H	98.8	Very high	98.8	Very high	30 Å²	30	53.9 Å²	53.9	14%	0.139	28%	0.282	C	S	.	.	S	Bend	trans	-89.6	3.3	179.1	-156	76.3	0	0	0	114.5	H119 S120 D197 F199	H119-H231 AromaticContact CE1-CD2 3.41Å; H119-H231 PolarHBondContact CE1-CD2 2.85Å; H119-H231 VanDerWaalsContact CE1-CD2 3.41Å; H119-H231 AromaticContact CE1-NE2 3.37Å; H119-H231 PolarHBondContact CE1-NE2 2.72Å; H119-H231 PolarHBondContact CE1-O 3.15Å; H119-H231 VanDerWaalsContact CE1-O 3.29Å; H119-H231 AromaticContact NE2-CD2 3.5Å; H119-H231 PolarHBondContact NE2-CD2 3.09Å; H119-H231 AromaticContact NE2-CE1 3.61Å; H119-H231 AromaticContact NE2-CG 3.78Å; H119-H231 AromaticContact NE2-ND1 3.83Å; H119-H231 AromaticContact NE2-NE2 3.41Å; H119-H231 PolarHBondContact NE2-NE2 2.98Å; H119-H231 PolarHBondContact NE2-O 3.25Å; H119-H231 VanDerWaalsContact NE2-O 3.17Å; S120-H231 WeakPolarHBondContact CB-NE2 3.39Å; S120-H231 PolarHBondContact OG-CE1 2.99Å; S120-H231 PolarHBondContact OG-NE2 3.47Å; D197-H231 VanDerWaalsContact CG-ND1 3.35Å; D197-H231 WeakPolarHBondContact OD1-CB 3.35Å; D197-H231 IonicContact OD1-CG 2.77Å; D197-H231 IonicContact OD1-ND1 3.31Å; D197-H231 PolarHBondContact OD1-ND1 2.92Å; D197-H231 IonicContact OD2-CE1 3.85Å; D197-H231 IonicContact OD2-CG 3.42Å; D197-H231 IonicContact OD2-ND1 2.65Å; D197-H231 PolarHBondContact OD2-ND1 2.83Å; F199-H231 HydrophobicContact CD2-CB 3.86Å; F199-H231 AromaticContact CD2-CD2 3.47Å; F199-H231 VanDerWaalsContact CD2-CD2 3.47Å; F199-H231 WeakPolarHBondContact CD2-CD2 3.31Å; F199-H231 AromaticContact CD2-CE1 3.87Å; F199-H231 AromaticContact CD2-CG 3.44Å; F199-H231 VanDerWaalsContact CD2-CG 3.44Å; F199-H231 AromaticContact CD2-ND1 3.7Å; F199-H231 AromaticContact CD2-NE2 3.74Å; F199-H231 HydrophobicContact CE2-CB 4.1Å; F199-H231 AromaticContact CE2-CD2 3.55Å; F199-H231 AromaticContact CE2-CG 3.84Å
232	S	98.8	Very high	98.8	Very high	32 Å²	32	55.1 Å²	55.1	22%	0.224	29%	0.288	C	S	.	.	S	Bend	trans	-85	174.8	-165.2	77.4	0	0	0	0	112.8	D230 Y234 F235 I236	D230-S232 WeakPolarHBondContact OD1-CB 3.41Å; D230-S232 PolarHBondContact OD1-N 2.9Å; D230-S232 PolarHBondContact OD1-OG 3.01Å; D230-S232 PolarHBondContact OD2-OG 3.41Å; S232-Y234 PolarHBondContact O-N 3.24Å; S232-Y234 WeakPolarHBondContact OG-CB 3.48Å; S232-Y234 PolarHBondContact OG-N 2.97Å; S232-Y234 VanDerWaalsContact OG-N 3.13Å; S232-F235 WeakPolarHBondContact O-CB 3.49Å; S232-F235 PolarHBondContact O-N 2.85Å; S232-I236 PolarHBondContact O-N 3.18Å
233	Y	98.8	Very high	98.8	Very high	22 Å²	22	51 Å²	51	9%	0.086	26%	0.263	C	S	.	.	H	α-helix	trans	-68.2	-14.3	170.6	-87.6	-89.4	0	0	0	113.5	W21 N31 F32 K35 I236 A237	W21-Y233 HydrophobicContact CZ2-CE1 4.39Å; N31-Y233 HydrophobicContact CB-CE2 3.88Å; F32-Y233 HydrophobicContact CB-CE1 4.16Å; F32-Y233 HydrophobicContact CD2-CE1 4.31Å; F32-Y233 PolarHBondContact N-OH 3.24Å; K35-Y233 HydrophobicContact CB-CD1 3.83Å; K35-Y233 HydrophobicContact CB-CG 3.82Å; K35-Y233 HydrophobicContact CD-CD2 4.5Å; K35-Y233 HydrophobicContact CD-CG 4.4Å; Y233-I236 HydrophobicContact CD1-CB 4.29Å; Y233-I236 HydrophobicContact CD1-CD1 3.77Å; Y233-I236 HydrophobicContact CD1-CG2 4.42Å; Y233-I236 HydrophobicContact CD2-CD1 4.22Å; Y233-I236 HydrophobicContact CE1-CD1 3.8Å; Y233-I236 HydrophobicContact CE2-CD1 4.29Å; Y233-I236 HydrophobicContact CG-CD1 4Å; Y233-I236 PolarHBondContact O-N 3.38Å; Y233-A237 WeakPolarHBondContact O-CB 3.48Å; Y233-A237 PolarHBondContact O-N 2.93Å
234	Y	98.9	Very high	98.8	Very high	194 Å²	194	48.1 Å²	48.1	76%	0.761	25%	0.25	S	S	*	.	H	α-helix	trans	-66.4	-45.4	170.3	-66.9	-74.7	0	0	0	110.6	S232 A237 T238	S232-Y234 PolarHBondContact O-N 3.24Å; S232-Y234 WeakPolarHBondContact OG-CB 3.48Å; S232-Y234 PolarHBondContact OG-N 2.97Å; S232-Y234 VanDerWaalsContact OG-N 3.13Å; Y234-A237 PolarHBondContact O-N 3.06Å; Y234-T238 PolarHBondContact O-N 2.99Å; Y234-T238 VanDerWaalsContact O-N 3.13Å; Y234-T238 PolarHBondContact O-OG1 3.06Å; Y234-T238 VanDerWaalsContact O-OG1 3.11Å
235	F	98.9	Very high	98.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.1	-48.7	171.6	159.1	-118.2	0	0	0	111.9	F143 A144 D192 Q226 Y229 D230 S232 A237 T238 F239	F143-F235 HydrophobicContact CB-CE1 4.03Å; F143-F235 HydrophobicContact CD1-CD1 4.4Å; F143-F235 AromaticContact CD1-CE1 3.76Å; F143-F235 HydrophobicContact CD1-CE1 3.76Å; F143-F235 HydrophobicContact CD1-CE2 4.45Å; F143-F235 AromaticContact CD1-CZ 3.79Å; F143-F235 HydrophobicContact CD1-CZ 3.79Å; F143-F235 HydrophobicContact CG-CE1 4.42Å; A144-F235 HydrophobicContact CB-CE1 4.21Å; D192-F235 HydrophobicContact CB-CE2 4.12Å; D192-F235 HydrophobicContact CB-CZ 3.81Å; Q226-F235 HydrophobicContact CB-CE2 4.44Å; Q226-F235 HydrophobicContact CG-CE2 4.19Å; Y229-F235 HydrophobicContact CD1-CB 3.94Å; Y229-F235 AromaticContact CD1-CD2 3.96Å; Y229-F235 HydrophobicContact CD1-CD2 3.96Å; Y229-F235 HydrophobicContact CD1-CG 4.46Å; Y229-F235 AromaticContact CG-CD2 3.98Å; Y229-F235 HydrophobicContact CG-CD2 3.98Å; D230-F235 VanDerWaalsContact O-CB 3.27Å; D230-F235 WeakPolarHBondContact O-CB 3.31Å; D230-F235 VanDerWaalsContact O-CD1 3.25Å; D230-F235 WeakPolarHBondContact O-CD1 3.49Å; D230-F235 VanDerWaalsContact O-CG 3.27Å; D230-F235 WeakPolarHBondContact O-CG 3.47Å; S232-F235 WeakPolarHBondContact O-CB 3.49Å; S232-F235 PolarHBondContact O-N 2.85Å; F235-A237 PolarHBondContact O-N 2.87Å; F235-T238 PolarHBondContact O-N 3.25Å; F235-F239 AromaticContact CD2-CD2 3.77Å; F235-F239 HydrophobicContact CD2-CD2 3.77Å; F235-F239 AromaticContact CD2-CE2 3.79Å; F235-F239 HydrophobicContact CD2-CE2 3.79Å; F235-F239 AromaticContact CE2-CD2 3.69Å; F235-F239 HydrophobicContact CE2-CD2 3.69Å; F235-F239 AromaticContact CE2-CE2 3.86Å; F235-F239 HydrophobicContact CE2-CE2 3.86Å; F235-F239 WeakPolarHBondContact O-CD2 3.38Å
236	I	98.9	Very high	98.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.5	-48.3	179.2	-60.6	167.9	0	0	0	110.8	W21 H119 F143 S232 Y233 T238 F239 I240	W21-I236 HydrophobicContact CH2-CD1 4.19Å; W21-I236 HydrophobicContact CH2-CG2 3.8Å; W21-I236 HydrophobicContact CZ2-CD1 4.29Å; H119-I236 HydrophobicContact CB-CD1 3.92Å; F143-I236 HydrophobicContact CB-CG1 4.3Å; F143-I236 HydrophobicContact CD1-CB 4.31Å; F143-I236 HydrophobicContact CD1-CG1 4.1Å; F143-I236 HydrophobicContact CD1-CG2 4.36Å; F143-I236 HydrophobicContact CD2-CG2 4.48Å; F143-I236 HydrophobicContact CE1-CB 4.4Å; F143-I236 HydrophobicContact CE1-CG2 4.23Å; F143-I236 HydrophobicContact CE2-CG2 4.39Å; F143-I236 HydrophobicContact CG-CG1 4.23Å; F143-I236 HydrophobicContact CG-CG2 4.47Å; F143-I236 HydrophobicContact CZ-CG2 4.27Å; S232-I236 PolarHBondContact O-N 3.18Å; Y233-I236 HydrophobicContact CD1-CB 4.29Å; Y233-I236 HydrophobicContact CD1-CD1 3.77Å; Y233-I236 HydrophobicContact CD1-CG2 4.42Å; Y233-I236 HydrophobicContact CD2-CD1 4.22Å; Y233-I236 HydrophobicContact CE1-CD1 3.8Å; Y233-I236 HydrophobicContact CE2-CD1 4.29Å; Y233-I236 HydrophobicContact CG-CD1 4Å; Y233-I236 PolarHBondContact O-N 3.38Å; I236-T238 VanDerWaalsContact C-N 3.27Å; I236-T238 PolarHBondContact O-N 3.16Å; I236-F239 PolarHBondContact O-N 3.2Å; I236-I240 HydrophobicContact CG2-CD1 4.42Å; I236-I240 WeakPolarHBondContact O-CB 3.47Å; I236-I240 PolarHBondContact O-N 3.46Å
237	A	98.9	Very high	98.8	Very high	39 Å²	39	47.3 Å²	47.3	32%	0.322	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-33.8	-177.1	0	0	0	0	0	112.7	S36 Y233 Y234 F235 F239 I240	S36-A237 WeakPolarHBondContact O-CA 3.46Å; S36-A237 WeakPolarHBondContact O-CB 3.18Å; Y233-A237 WeakPolarHBondContact O-CB 3.48Å; Y233-A237 PolarHBondContact O-N 2.93Å; Y234-A237 PolarHBondContact O-N 3.06Å; F235-A237 PolarHBondContact O-N 2.87Å; A237-F239 VanDerWaalsContact C-N 3.35Å; A237-F239 PolarHBondContact O-N 3.37Å; A237-I240 WeakPolarHBondContact O-CG2 3.35Å
238	T	98.9	Very high	98.8	Very high	68 Å²	68	41.7 Å²	41.7	42%	0.417	22%	0.216	S	C	.	.	H	α-helix	trans	-59.2	-44.3	176	-65.2	0	0	0	0	112.3	Y229 Y234 F235 I236	Y229-T238 HydrophobicContact CE1-CG2 3.91Å; Y229-T238 WeakPolarHBondContact CE1-OG1 3.32Å; Y229-T238 VanDerWaalsContact OH-CG2 3.3Å; Y229-T238 WeakPolarHBondContact OH-CG2 3.43Å; Y234-T238 PolarHBondContact O-N 2.99Å; Y234-T238 VanDerWaalsContact O-N 3.13Å; Y234-T238 PolarHBondContact O-OG1 3.06Å; Y234-T238 VanDerWaalsContact O-OG1 3.11Å; F235-T238 PolarHBondContact O-N 3.25Å; I236-T238 VanDerWaalsContact C-N 3.27Å; I236-T238 PolarHBondContact O-N 3.16Å
239	F	98.9	Very high	98.8	Very high	22 Å²	22	45.7 Å²	45.7	10%	0.096	22%	0.217	C	C	.	.	H	α-helix	trans	-107.1	4.6	-172.6	-51.8	-79.3	0	0	0	113.9	F143 Q226 Y229 F235 I236 A237 T241 D242 H243	F143-F239 HydrophobicContact CE1-CB 3.89Å; F143-F239 HydrophobicContact CZ-CB 4.35Å; Q226-F239 HydrophobicContact CB-CE2 4.03Å; Q226-F239 HydrophobicContact CB-CZ 4.04Å; Q226-F239 HydrophobicContact CG-CD2 4.32Å; Q226-F239 HydrophobicContact CG-CE1 4.27Å; Q226-F239 HydrophobicContact CG-CE2 3.63Å; Q226-F239 HydrophobicContact CG-CZ 3.59Å; Y229-F239 HydrophobicContact CD1-CE2 4.14Å; Y229-F239 HydrophobicContact CD2-CE2 4Å; Y229-F239 HydrophobicContact CD2-CZ 4.11Å; Y229-F239 HydrophobicContact CE1-CE2 4.11Å; Y229-F239 AromaticContact CE2-CE2 3.97Å; Y229-F239 HydrophobicContact CE2-CE2 3.97Å; Y229-F239 AromaticContact CE2-CZ 3.78Å; Y229-F239 HydrophobicContact CE2-CZ 3.78Å; Y229-F239 HydrophobicContact CG-CE2 4.08Å; F235-F239 AromaticContact CD2-CD2 3.77Å; F235-F239 HydrophobicContact CD2-CD2 3.77Å; F235-F239 AromaticContact CD2-CE2 3.79Å; F235-F239 HydrophobicContact CD2-CE2 3.79Å; F235-F239 AromaticContact CE2-CD2 3.69Å; F235-F239 HydrophobicContact CE2-CD2 3.69Å; F235-F239 AromaticContact CE2-CE2 3.86Å; F235-F239 HydrophobicContact CE2-CE2 3.86Å; F235-F239 WeakPolarHBondContact O-CD2 3.38Å; I236-F239 PolarHBondContact O-N 3.2Å; A237-F239 VanDerWaalsContact C-N 3.35Å; A237-F239 PolarHBondContact O-N 3.37Å; F239-T241 VanDerWaalsContact C-N 3.26Å; F239-T241 PolarHBondContact O-N 3.44Å; F239-D242 WeakPolarHBondContact O-CB 3.42Å; F239-D242 PolarHBondContact O-N 2.87Å; F239-D242 VanDerWaalsContact O-N 3.1Å; F239-H243 PolarHBondContact O-CD2 2.63Å; F239-H243 PolarHBondContact O-N 3.36Å
240	I	98.9	Very high	98.7	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-56.6	-40.5	-177.3	-165.5	55	0	0	0	112.5	F32 S36 F117 F143 I236 A237 D242 H243 I244	F32-I240 HydrophobicContact CE2-CD1 3.89Å; F32-I240 HydrophobicContact CZ-CD1 4.37Å; S36-I240 WeakPolarHBondContact O-CG2 3.35Å; F117-I240 HydrophobicContact CE2-CD1 3.7Å; F117-I240 HydrophobicContact CZ-CD1 4.13Å; F143-I240 HydrophobicContact CE2-CD1 4.28Å; F143-I240 HydrophobicContact CZ-CD1 4.37Å; I236-I240 HydrophobicContact CG2-CD1 4.42Å; I236-I240 WeakPolarHBondContact O-CB 3.47Å; I236-I240 PolarHBondContact O-N 3.46Å; A237-I240 WeakPolarHBondContact O-CG2 3.35Å; I240-D242 VanDerWaalsContact C-N 3.29Å; I240-D242 PolarHBondContact O-N 3.39Å; I240-H243 PolarHBondContact O-N 2.91Å; I240-I244 HydrophobicContact CG1-CG1 4.38Å; I240-I244 WeakPolarHBondContact O-CG1 3.1Å; I240-I244 PolarHBondContact O-N 3.02Å
241	T	98.9	Very high	98.7	Very high	40 Å²	40	41.3 Å²	41.3	25%	0.245	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-34.9	-178.3	-67.2	0	0	0	0	111.8	F239 I244 R245	F239-T241 VanDerWaalsContact C-N 3.26Å; F239-T241 PolarHBondContact O-N 3.44Å; T241-I244 PolarHBondContact O-N 3.03Å; T241-R245 WeakPolarHBondContact O-CB 3.29Å; T241-R245 VanDerWaalsContact O-CG 3.28Å; T241-R245 WeakPolarHBondContact O-CG 3.36Å; T241-R245 PolarHBondContact O-N 3.31Å
242	D	98.9	Very high	98.6	Very high	58 Å²	58	43 Å²	43	31%	0.31	21%	0.205	S	C	.	.	H	α-helix	trans	-66.2	-42.2	175.8	-71.9	-9.5	0	0	0	111.3	R224 F239 I240 R245 H246	R224-D242 IonicContact CZ-OD2 3.79Å; R224-D242 IonicContact NH1-OD2 3.12Å; R224-D242 PolarHBondContact NH1-OD2 3.48Å; R224-D242 IonicContact NH2-OD2 3.75Å; R224-D242 PolarHBondContact NH2-OD2 2.71Å; R224-D242 VanDerWaalsContact NH2-OD2 3.11Å; F239-D242 WeakPolarHBondContact O-CB 3.42Å; F239-D242 PolarHBondContact O-N 2.87Å; F239-D242 VanDerWaalsContact O-N 3.1Å; I240-D242 VanDerWaalsContact C-N 3.29Å; I240-D242 PolarHBondContact O-N 3.39Å; D242-R245 PolarHBondContact O-N 3.49Å; D242-H246 VanDerWaalsContact O-CB 3.32Å; D242-H246 WeakPolarHBondContact O-CB 3.29Å; D242-H246 PolarHBondContact O-N 2.88Å
243	H	98.9	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-44	176.9	-78.6	-111.9	0	0	0	111.8	F117 S141 A142 F143 D192 F239 I240 R245 H246 H247	F117-H243 HydrophobicContact CD2-CB 4.19Å; F117-H243 HydrophobicContact CE2-CB 4.24Å; S141-H243 VanDerWaalsContact CB-ND1 3.28Å; S141-H243 WeakPolarHBondContact CB-ND1 3.22Å; S141-H243 PolarHBondContact OG-ND1 2.96Å; A142-H243 PolarHBondContact O-CE1 3.16Å; F143-H243 AromaticContact CD2-CE1 3.85Å; F143-H243 AromaticContact CD2-ND1 3.96Å; F143-H243 AromaticContact CE1-CD2 3.98Å; F143-H243 AromaticContact CE1-NE2 3.92Å; F143-H243 HydrophobicContact CE2-CB 4Å; F143-H243 AromaticContact CE2-CD2 3.51Å; F143-H243 AromaticContact CE2-CE1 3.57Å; F143-H243 AromaticContact CE2-CG 3.36Å; F143-H243 AromaticContact CE2-ND1 3.4Å; F143-H243 WeakPolarHBondContact CE2-ND1 3.32Å; F143-H243 AromaticContact CE2-NE2 3.64Å; F143-H243 HydrophobicContact CZ-CB 4.2Å; F143-H243 AromaticContact CZ-CD2 3.21Å; F143-H243 WeakPolarHBondContact CZ-CD2 3.28Å; F143-H243 AromaticContact CZ-CE1 3.94Å; F143-H243 AromaticContact CZ-CG 3.55Å; F143-H243 AromaticContact CZ-ND1 3.97Å; F143-H243 AromaticContact CZ-NE2 3.5Å; F143-H243 WeakPolarHBondContact CZ-NE2 3.26Å; D192-H243 IonicContact OD2-CD2 3.84Å; D192-H243 IonicContact OD2-NE2 2.85Å; D192-H243 PolarHBondContact OD2-NE2 2.84Å; F239-H243 PolarHBondContact O-CD2 2.63Å; F239-H243 PolarHBondContact O-N 3.36Å; I240-H243 PolarHBondContact O-N 2.91Å; H243-R245 VanDerWaalsContact C-N 3.34Å; H243-R245 PolarHBondContact O-N 3.32Å; H243-H246 WeakPolarHBondContact O-CB 3.42Å; H243-H246 PolarHBondContact O-N 2.94Å; H243-H247 PolarHBondContact O-CD2 2.88Å; H243-H247 PolarHBondContact O-N 3.4Å
244	I	98.9	Very high	98	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-44.4	176.1	-63.6	-60	0	0	0	110.8	L19 S41 L47 F117 I240 T241 H247 A248	L19-I244 HydrophobicContact CD2-CD1 3.49Å; L19-I244 VanDerWaalsContact CD2-CD1 3.49Å; S41-I244 WeakPolarHBondContact OG-CB 3.27Å; S41-I244 WeakPolarHBondContact OG-CG1 3.19Å; L47-I244 HydrophobicContact CD1-CG2 4.09Å; F117-I244 HydrophobicContact CZ-CD1 4.07Å; I240-I244 HydrophobicContact CG1-CG1 4.38Å; I240-I244 WeakPolarHBondContact O-CG1 3.1Å; I240-I244 PolarHBondContact O-N 3.02Å; T241-I244 PolarHBondContact O-N 3.03Å; I244-H247 PolarHBondContact O-N 3.37Å; I244-A248 WeakPolarHBondContact O-CB 3.49Å; I244-A248 PolarHBondContact O-N 3.14Å
245	R	98.8	Very high	97.9	Very high	129 Å²	129	41.6 Å²	41.6	49%	0.487	23%	0.23	S	C	.	.	H	α-helix	trans	-62.1	-43.8	175	-78.4	170.2	179.6	171.3	2.5	112.6	H45 T241 D242 H243 H247 A248 K249	H45-R245 VanDerWaalsContact NE2-CG 3.27Å; H45-R245 WeakPolarHBondContact NE2-CG 3.28Å; T241-R245 WeakPolarHBondContact O-CB 3.29Å; T241-R245 VanDerWaalsContact O-CG 3.28Å; T241-R245 WeakPolarHBondContact O-CG 3.36Å; T241-R245 PolarHBondContact O-N 3.31Å; D242-R245 PolarHBondContact O-N 3.49Å; H243-R245 VanDerWaalsContact C-N 3.34Å; H243-R245 PolarHBondContact O-N 3.32Å; R245-H247 VanDerWaalsContact C-N 3.34Å; R245-H247 PolarHBondContact O-N 2.83Å; R245-A248 PolarHBondContact O-N 3.48Å; R245-K249 PolarHBondContact O-N 2.85Å
246	H	98.7	Very high	97.9	Very high	30 Å²	30	43.9 Å²	43.9	14%	0.139	24%	0.243	C	C	.	.	H	α-helix	trans	-55.1	-51.4	174.9	167.5	86.3	0	0	0	110	D188 L190 D242 H243 K249 Y250	D188-H246 PolarHBondContact O-CE1 2.65Å; D188-H246 VanDerWaalsContact O-CE1 3.31Å; D188-H246 PolarHBondContact O-NE2 3.31Å; L190-H246 HydrophobicContact CD2-CB 3.93Å; D242-H246 VanDerWaalsContact O-CB 3.32Å; D242-H246 WeakPolarHBondContact O-CB 3.29Å; D242-H246 PolarHBondContact O-N 2.88Å; H243-H246 WeakPolarHBondContact O-CB 3.42Å; H243-H246 PolarHBondContact O-N 2.94Å; H246-K249 WeakPolarHBondContact O-CB 3.27Å; H246-K249 PolarHBondContact O-N 2.8Å; H246-Y250 AromaticContact CE1-CE2 3.54Å; H246-Y250 AromaticContact ND1-CE2 3.8Å; H246-Y250 AromaticContact NE2-CE2 3.93Å; H246-Y250 WeakPolarHBondContact O-CD2 3.46Å; H246-Y250 WeakPolarHBondContact O-CE2 3.45Å
247	H	98.7	Very high	97.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-41.8	178.7	-69	-61.7	0	0	0	113.2	L19 F117 S139 S141 H243 I244 R245 K249 Y250 L251	L19-H247 HydrophobicContact CD1-CB 3.96Å; L19-H247 HydrophobicContact CD2-CB 4.06Å; F117-H247 WeakPolarHBondContact CB-NE2 3.31Å; F117-H247 AromaticContact CG-NE2 3.73Å; S139-H247 PolarHBondContact OG-ND1 3.42Å; S141-H247 PolarHBondContact OG-CE1 3.23Å; S141-H247 PolarHBondContact OG-NE2 3.22Å; H243-H247 PolarHBondContact O-CD2 2.88Å; H243-H247 PolarHBondContact O-N 3.4Å; I244-H247 PolarHBondContact O-N 3.37Å; R245-H247 VanDerWaalsContact C-N 3.34Å; R245-H247 PolarHBondContact O-N 2.83Å; H247-K249 PolarHBondContact O-N 3.3Å; H247-Y250 PolarHBondContact O-N 3.08Å; H247-L251 HydrophobicContact CB-CD1 4.25Å; H247-L251 WeakPolarHBondContact O-CB 3.37Å; H247-L251 WeakPolarHBondContact O-CG 3.17Å; H247-L251 PolarHBondContact O-N 3.28Å
248	A	98.6	Very high	97.7	Very high	4 Å²	4	47 Å²	47	3%	0.033	25%	0.253	C	S	.	.	H	α-helix	trans	-56.3	-37.7	178	0	0	0	0	0	112.3	H45 L47 I244 R245 Y250 L251 N252	H45-A248 HydrophobicContact CB-CB 3.73Å; L47-A248 HydrophobicContact CD1-CB 4.16Å; I244-A248 WeakPolarHBondContact O-CB 3.49Å; I244-A248 PolarHBondContact O-N 3.14Å; R245-A248 PolarHBondContact O-N 3.48Å; A248-Y250 PolarHBondContact O-N 3.45Å; A248-L251 PolarHBondContact O-N 2.79Å; A248-N252 WeakPolarHBondContact O-CB 3.12Å; A248-N252 PolarHBondContact O-N 2.64Å
249	K	98.3	Very high	97.6	Very high	139 Å²	139	45.6 Å²	45.6	60%	0.604	24%	0.242	S	C	*	.	H	α-helix	trans	-55	-38	176.1	-178.6	-171.4	169.5	-162.7	0	112.8	R245 H246 H247 A253	R245-K249 PolarHBondContact O-N 2.85Å; H246-K249 WeakPolarHBondContact O-CB 3.27Å; H246-K249 PolarHBondContact O-N 2.8Å; H247-K249 PolarHBondContact O-N 3.3Å; K249-A253 WeakPolarHBondContact O-CB 3.46Å
250	Y	97.4	Very high	97.6	Very high	56 Å²	56	47.3 Å²	47.3	22%	0.22	25%	0.253	C	S	.	.	H	α-helix	trans	-93.4	-26.1	-178.2	-56.9	-86.9	0	0	0	112.9	D188 H246 H247 A248	D188-Y250 HydrophobicContact CB-CE1 4.2Å; D188-Y250 VanDerWaalsContact CB-OH 3.23Å; D188-Y250 WeakPolarHBondContact CB-OH 3.48Å; D188-Y250 VanDerWaalsContact CG-OH 3.32Å; D188-Y250 WeakPolarHBondContact OD2-CE1 3.41Å; D188-Y250 VanDerWaalsContact OD2-CZ 3.29Å; D188-Y250 PolarHBondContact OD2-OH 3.26Å; H246-Y250 AromaticContact CE1-CE2 3.54Å; H246-Y250 AromaticContact ND1-CE2 3.8Å; H246-Y250 AromaticContact NE2-CE2 3.93Å; H246-Y250 WeakPolarHBondContact O-CD2 3.46Å; H246-Y250 WeakPolarHBondContact O-CE2 3.45Å; H247-Y250 PolarHBondContact O-N 3.08Å; A248-Y250 PolarHBondContact O-N 3.45Å
251	L	97.6	Very high	97.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-85.3	-24.2	-178.8	-70.8	174	0	0	0	113.5	P17 L47 R113 S115 K138 H247 A248	P17-L251 HydrophobicContact CB-CB 3.71Å; P17-L251 HydrophobicContact CB-CD1 3.95Å; P17-L251 HydrophobicContact CB-CD2 4Å; P17-L251 HydrophobicContact CB-CG 4.1Å; P17-L251 HydrophobicContact CG-CB 3.92Å; L47-L251 HydrophobicContact CD1-CD1 4.43Å; L47-L251 HydrophobicContact CD2-CB 4.31Å; L47-L251 HydrophobicContact CD2-CD1 4.13Å; R113-L251 HydrophobicContact CB-CD2 4.16Å; R113-L251 WeakPolarHBondContact CD-O 3.35Å; R113-L251 PolarHBondContact NH1-O 3.45Å; S115-L251 WeakPolarHBondContact OG-CD2 3.43Å; K138-L251 HydrophobicContact CB-CD2 4.04Å; K138-L251 HydrophobicContact CG-CD2 3.98Å; H247-L251 HydrophobicContact CB-CD1 4.25Å; H247-L251 WeakPolarHBondContact O-CB 3.37Å; H247-L251 WeakPolarHBondContact O-CG 3.17Å; H247-L251 PolarHBondContact O-N 3.28Å; A248-L251 PolarHBondContact O-N 2.79Å
252	N	96.4	Very high	97.3	Very high	65 Å²	65	51.6 Å²	51.6	35%	0.348	27%	0.273	S	S	.	.			trans	-108.1	8.8	177.8	-66.6	-34.9	0	0	0	113.2	H45 A248	H45-N252 PolarHBondContact O-ND2 2.97Å; A248-N252 WeakPolarHBondContact O-CB 3.12Å; A248-N252 PolarHBondContact O-N 2.64Å
253	A	86.9	Confident	97.2	Very high	137 Å²	137	51 Å²	51	100%	1.132	27%	0.27	S	S	*	.			trans	-68.5	0	172.4	0	0	0	0	0	112.5	K249	K249-A253 WeakPolarHBondContact O-CB 3.46Å

Retrieved 253 of 253 residues in 121.5 ms (Link to these results)

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