A0A077ZME6_TRITR Loading...

Ferrochelatase

Catalyzes the ferrous insertion into protoporphyrin IX.

AlphaFold DB , UniProt , Accession A0A077ZME6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 296 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	57.8	Low	90.9	Very high	244 Å²	244	78.8 Å²	78.8	100%	1.202	37%	0.374	S	S	*	.				0	136.2	0	-80.1	167.5	154.8	0	0	107.6
2	R	74	Confident	91.5	Very high	210 Å²	210	72.8 Å²	72.8	79%	0.792	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-66.7	137.6	170.9	-170.8	-174.9	-69.7	169.3	-3	107.6	T4	R2-T4 PolarHBondContact O-N 3.46Å
3	Q	86.6	Confident	91.8	Very high	179 Å²	179	69.3 Å²	69.3	84%	0.836	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-65.1	130.6	173.2	-175.5	174.2	-3.5	0	0	108.7	K5	Q3-K5 PolarHBondContact O-N 3.22Å
4	T	92.6	Very high	92.1	Very high	83 Å²	83	64.4 Å²	64.4	51%	0.509	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-58.9	120.3	177.2	-55.2	0	0	0	0	109.5	R2 D120 H121	R2-T4 PolarHBondContact O-N 3.46Å; T4-D120 HydrophobicContact CG2-CB 4.03Å; T4-H121 HydrophobicContact CG2-CB 3.64Å
5	K	97	Very high	92.4	Very high	74 Å²	74	60.5 Å²	60.5	32%	0.322	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-82.8	118.8	172.2	-173.2	176	179	-174.2	0	109	Q3 E117 V119 D120 H121	Q3-K5 PolarHBondContact O-N 3.22Å; K5-E117 WeakPolarHBondContact CD-O 3.46Å; K5-E117 WeakPolarHBondContact CE-O 3.41Å; K5-E117 PolarHBondContact NZ-O 2.87Å; K5-E117 IonicContact NZ-OE2 3.43Å; K5-V119 HydrophobicContact CG-CG2 4.43Å; K5-D120 PolarHBondContact O-N 3.39Å; K5-H121 PolarHBondContact O-N 3.41Å; K5-H121 VanDerWaalsContact O-N 3.13Å
6	T	98.4	Very high	92.7	Very high	52 Å²	52	56.8 Å²	56.8	32%	0.319	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.7	177.9	-59.8	0	0	0	0	110.5	H121 V123	T6-H121 CarbonylContact C-O 3.2Å; T6-H121 WeakPolarHBondContact CA-O 3.1Å; T6-V123 HydrophobicContact CG2-CG2 3.81Å
7	G	98.8	Very high	93	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	159.7	169.3	0	0	0	0	0	111	P95 V119 H121 I122 V123	G7-P95 CarbonylContact C-O 3.44Å; G7-P95 WeakPolarHBondContact CA-O 3.31Å; G7-V119 VanDerWaalsContact N-CG1 3.32Å; G7-H121 PolarHBondContact N-O 2.96Å; G7-I122 WeakPolarHBondContact O-CA 3.34Å; G7-V123 PolarHBondContact O-N 3.47Å
8	I	98.9	Very high	93.2	Very high	21 Å²	21	56.6 Å²	56.6	11%	0.108	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.7	179	-61.9	171	0	0	0	108.8	L10 L87 L91 T94 P95 V96 A97 V123	I8-L10 HydrophobicContact CG2-CD2 3.9Å; I8-L10 HydrophobicContact CG2-CG 4.39Å; I8-L87 HydrophobicContact CD1-CD2 4.03Å; I8-L87 HydrophobicContact CD1-CG 4.43Å; I8-L87 HydrophobicContact CG2-CD2 4.07Å; I8-L91 HydrophobicContact CD1-CD1 3.65Å; I8-T94 HydrophobicContact CD1-CG2 3.86Å; I8-T94 HydrophobicContact CG1-CG2 3.81Å; I8-P95 PolarHBondContact N-O 3.01Å; I8-V96 HydrophobicContact CB-CG1 4.35Å; I8-V96 HydrophobicContact CB-CG2 4.35Å; I8-V96 HydrophobicContact CD1-CG2 4.47Å; I8-V96 HydrophobicContact CG2-CG1 4.37Å; I8-V96 CarbonylContact O-C 3.52Å; I8-V96 WeakPolarHBondContact O-CA 3.16Å; I8-A97 PolarHBondContact O-N 2.76Å; I8-V123 CarbonylContact C-O 3.24Å; I8-V123 WeakPolarHBondContact CA-O 3.37Å; I8-V123 HydrophobicContact CG1-CB 4.49Å
9	L	98.9	Very high	93.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	108.3	168.6	176.2	61.2	0	0	0	109	A97 L107 A110 V111 L114 I122 V123 V124 L125 L143	L9-A97 HydrophobicContact CD1-CB 4.47Å; L9-L107 HydrophobicContact CD1-CD2 4.32Å; L9-L107 HydrophobicContact CD2-CD2 4.04Å; L9-L107 HydrophobicContact CG-CD2 4.39Å; L9-A110 HydrophobicContact CD1-CB 3.43Å; L9-A110 VanDerWaalsContact CD1-CB 3.43Å; L9-V111 HydrophobicContact CD2-CG2 4Å; L9-L114 HydrophobicContact CB-CD1 4Å; L9-I122 HydrophobicContact CB-CG2 3.73Å; L9-V123 PolarHBondContact N-O 3.38Å; L9-V124 HydrophobicContact CB-CG2 4.47Å; L9-V124 HydrophobicContact CD2-CG1 4.34Å; L9-V124 HydrophobicContact CD2-CG2 4.32Å; L9-L125 PolarHBondContact O-N 3.06Å; L9-L143 HydrophobicContact CD2-CD1 4.35Å; L9-L143 HydrophobicContact CD2-CD2 3.68Å
10	L	98.8	Very high	93.7	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	117.7	165.9	-58.3	-175.8	0	0	0	108.3	I8 Q84 L87 V96 A97 L98 G99 L125 L127	I8-L10 HydrophobicContact CG2-CD2 3.9Å; I8-L10 HydrophobicContact CG2-CG 4.39Å; L10-Q84 HydrophobicContact CD1-CB 4.05Å; L10-L87 HydrophobicContact CD1-CD2 4.4Å; L10-L87 HydrophobicContact CD2-CD2 3.95Å; L10-L87 HydrophobicContact CG-CD2 4.5Å; L10-V96 HydrophobicContact CD1-CG1 4.01Å; L10-V96 HydrophobicContact CG-CG1 4.02Å; L10-A97 PolarHBondContact N-O 2.88Å; L10-L98 HydrophobicContact CB-CD1 4.01Å; L10-G99 PolarHBondContact O-N 3.22Å; L10-L125 WeakPolarHBondContact CA-O 3.38Å; L10-L125 HydrophobicContact CD2-CB 4.1Å; L10-L125 HydrophobicContact CD2-CD2 3.83Å; L10-L125 HydrophobicContact CD2-CG 4.29Å; L10-L127 HydrophobicContact CB-CD1 4.45Å; L10-L127 HydrophobicContact CD2-CD2 4.44Å
11	A	98.7	Very high	93.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.3	-178.7	0	0	0	0	0	110.7	G99 L107 V124 L125 P126 L127 V139	A11-G99 WeakPolarHBondContact CA-O 3.48Å; A11-L107 HydrophobicContact CB-CD2 3.71Å; A11-V124 HydrophobicContact CB-CG1 4.37Å; A11-L125 PolarHBondContact N-O 3.31Å; A11-P126 CarbonylContact O-C 3.5Å; A11-P126 VanDerWaalsContact O-CA 3.29Å; A11-P126 WeakPolarHBondContact O-CA 3.23Å; A11-L127 PolarHBondContact O-N 3.13Å; A11-V139 HydrophobicContact CB-CG1 3.6Å; A11-V139 HydrophobicContact CB-CG2 4.07Å
12	N	97.5	Very high	95.8	Very high	7 Å²	7	52 Å²	52	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	173	177.1	-152.8	-18.6	0	0	0	111.3	G14 S80 G99 M100 S101 L127 Y128	N12-G14 VanDerWaalsContact C-N 3.27Å; N12-G14 PolarHBondContact O-N 3.4Å; N12-S80 PolarHBondContact ND2-OG 2.97Å; N12-G99 PolarHBondContact N-O 3Å; N12-M100 HydrophobicContact CB-CE 4.45Å; N12-M100 HydrophobicContact CB-SD 3.7Å; N12-M100 CarbonylContact O-C 3.59Å; N12-M100 WeakPolarHBondContact O-CA 2.84Å; N12-S101 PolarHBondContact O-N 2.89Å; N12-S101 PolarHBondContact O-OG 3.31Å; N12-L127 HydrophobicContact CB-CB 4.18Å; N12-L127 HydrophobicContact CB-CD1 4.09Å; N12-Y128 VanDerWaalsContact C-OH 3.29Å
13	L	95.7	Very high	96.9	Very high	27 Å²	27	42.2 Å²	42.2	14%	0.141	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-40.1	-175.1	-164.8	70.7	0	0	0	111.2	Y27 F31 Y102 Y128	L13-Y27 WeakPolarHBondContact CD2-OH 3.41Å; L13-F31 HydrophobicContact CD1-CD2 4.49Å; L13-F31 HydrophobicContact CD1-CE2 3.94Å; L13-F31 HydrophobicContact CD1-CZ 4.47Å; L13-F31 HydrophobicContact CD2-CE2 4.47Å; L13-F31 HydrophobicContact CD2-CZ 4.28Å; L13-Y102 HydrophobicContact CD1-CD2 3.91Å; L13-Y102 HydrophobicContact CD1-CE2 3.64Å; L13-Y102 HydrophobicContact CG-CD2 4.11Å; L13-Y102 HydrophobicContact CG-CE2 4.35Å; L13-Y102 VanDerWaalsContact O-CD2 3.29Å; L13-Y102 WeakPolarHBondContact O-CD2 3.24Å; L13-Y102 PolarHBondContact O-N 2.8Å; L13-Y128 WeakPolarHBondContact CA-OH 3.3Å; L13-Y128 HydrophobicContact CB-CE1 3.99Å; L13-Y128 WeakPolarHBondContact CB-OH 3.37Å; L13-Y128 HydrophobicContact CD1-CE1 4.37Å; L13-Y128 VanDerWaalsContact CD1-OH 3.29Å; L13-Y128 WeakPolarHBondContact CD1-OH 3.43Å; L13-Y128 PolarHBondContact N-OH 3.47Å
14	G	95.4	Very high	97.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.7	-177.1	-168.6	0	0	0	0	0	112.6	N12 Y27 M100 Y102	N12-G14 VanDerWaalsContact C-N 3.27Å; N12-G14 PolarHBondContact O-N 3.4Å; G14-Y27 VanDerWaalsContact C-CE2 3.47Å; G14-Y27 PolarHBondContact O-OH 3.2Å; G14-M100 VanDerWaalsContact CA-SD 3.56Å; G14-Y102 VanDerWaalsContact CA-O 3.29Å; G14-Y102 WeakPolarHBondContact CA-O 3.29Å
15	T	96.9	Very high	97.7	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.031	18%	0.184	C	C	.	.			trans	-165.7	159.3	-162	-165.6	0	0	0	0	108.6	Y65 S74 L76 M77	T15-Y65 WeakPolarHBondContact OG1-CE1 3.23Å; T15-S74 WeakPolarHBondContact CB-OG 3.44Å; T15-S74 WeakPolarHBondContact CG2-OG 3.39Å; T15-S74 VanDerWaalsContact OG1-CB 3.31Å; T15-S74 WeakPolarHBondContact OG1-CB 3.5Å; T15-S74 PolarHBondContact OG1-OG 2.91Å; T15-L76 HydrophobicContact CG2-CD2 4.3Å; T15-M77 HydrophobicContact CG2-CB 4.04Å; T15-M77 HydrophobicContact CG2-CE 4.04Å
16	P	97.6	Very high	97.7	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.013	20%	0.195	C	C	.	.			trans	-59.3	146.8	173.7	-21.5	32.9	0	0	0	112.1	A18 A23 V24 Y27 Y65 W69	P16-A18 WeakPolarHBondContact CB-O 3.34Å; P16-A18 PolarHBondContact O-N 3.28Å; P16-A23 HydrophobicContact CB-CB 4.39Å; P16-V24 HydrophobicContact CB-CG2 3.99Å; P16-V24 HydrophobicContact CG-CB 4.36Å; P16-V24 HydrophobicContact CG-CG2 3.75Å; P16-Y27 HydrophobicContact CG-CD1 3.75Å; P16-Y27 HydrophobicContact CG-CG 3.98Å; P16-Y65 HydrophobicContact CG-CD1 4.43Å; P16-Y65 HydrophobicContact CG-CD2 3.97Å; P16-Y65 HydrophobicContact CG-CE1 4.17Å; P16-Y65 HydrophobicContact CG-CE2 3.69Å; P16-Y65 HydrophobicContact CG-CG 4.34Å; P16-W69 WeakPolarHBondContact O-CH2 3.33Å
17	D	97.1	Very high	97.7	Very high	81 Å²	81	35.6 Å²	35.6	43%	0.433	18%	0.182	S	C	.	.	S	Bend	trans	-70	-21	176.6	-50.4	-55.9	0	0	0	113	R26	D17-R26 IonicContact OD2-CZ 3.94Å; D17-R26 IonicContact OD2-NE 3.43Å; D17-R26 PolarHBondContact OD2-NE 3.27Å; D17-R26 IonicContact OD2-NH2 3.94Å; D17-R26 PolarHBondContact OD2-NH2 2.91Å
18	A	98	Very high	97.6	Very high	29 Å²	29	36.2 Å²	36.2	24%	0.24	19%	0.185	C	C	.	.	S	Bend	trans	-151	155.2	-179.7	0	0	0	0	0	110.1	P16 T20 A23 W69	P16-A18 WeakPolarHBondContact CB-O 3.34Å; P16-A18 PolarHBondContact O-N 3.28Å; A18-T20 HydrophobicContact CB-CG2 4.17Å; A18-T20 PolarHBondContact O-N 3.42Å; A18-A23 HydrophobicContact CB-CB 3.92Å; A18-A23 VanDerWaalsContact O-CB 3.3Å; A18-A23 WeakPolarHBondContact O-CB 3.22Å; A18-W69 VanDerWaalsContact CA-CH2 3.48Å
19	P	96.9	Very high	97.5	Very high	38 Å²	38	39.8 Å²	39.8	25%	0.247	20%	0.2	C	C	.	.	S	Bend	trans	-80.9	40.6	177.5	34.8	-33.4	0	0	0	111.4	A66 W69	P19-A66 HydrophobicContact CB-CB 3.94Å; P19-W69 HydrophobicContact CB-CD2 3.92Å; P19-W69 HydrophobicContact CB-CE3 3.62Å; P19-W69 HydrophobicContact CB-CG 4.33Å; P19-W69 HydrophobicContact CB-CZ3 4.1Å; P19-W69 HydrophobicContact CG-CB 4.37Å; P19-W69 HydrophobicContact CG-CD2 3.69Å; P19-W69 HydrophobicContact CG-CE3 3.91Å; P19-W69 HydrophobicContact CG-CG 3.89Å; P19-W69 HydrophobicContact CG-CZ3 4.45Å
20	T	98	Very high	97.4	Very high	61 Å²	61	43.9 Å²	43.9	37%	0.374	22%	0.219	S	C	.	.	S	Bend	trans	-108.2	150.8	-179.4	66.8	0	0	0	0	110.7	A18 E22 A23 V24	A18-T20 HydrophobicContact CB-CG2 4.17Å; A18-T20 PolarHBondContact O-N 3.42Å; T20-E22 PolarHBondContact O-N 3.42Å; T20-E22 VanDerWaalsContact O-N 3.12Å; T20-A23 PolarHBondContact O-N 2.96Å; T20-A23 WeakPolarHBondContact OG1-CB 3.07Å; T20-A23 PolarHBondContact OG1-N 3.1Å; T20-V24 WeakPolarHBondContact O-CB 3.49Å; T20-V24 WeakPolarHBondContact O-CG2 3.27Å; T20-V24 PolarHBondContact O-N 2.94Å
21	P	97.6	Very high	97.3	Very high	64 Å²	64	45.7 Å²	45.7	42%	0.416	23%	0.227	S	C	.	.	H	α-helix	trans	-54.2	-34.2	178.3	-27.6	35.2	0	0	0	113.6	K25 P59 A62	P21-K25 WeakPolarHBondContact O-CB 3.24Å; P21-K25 PolarHBondContact O-N 2.87Å; P21-P59 HydrophobicContact CB-CG 4.4Å; P21-P59 HydrophobicContact CG-CB 4.48Å; P21-A62 HydrophobicContact CG-CB 4.1Å
22	E	98	Very high	97.2	Very high	155 Å²	155	46.1 Å²	46.1	72%	0.724	23%	0.229	S	C	*	.	H	α-helix	trans	-71.4	-47	-179.5	-67.4	171.7	178.4	0	0	112.7	T20 K25 R26	T20-E22 PolarHBondContact O-N 3.42Å; T20-E22 VanDerWaalsContact O-N 3.12Å; E22-K25 PolarHBondContact O-N 3.13Å; E22-R26 PolarHBondContact O-N 3.4Å
23	A	97.9	Very high	97.2	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-43.1	177.6	0	0	0	0	0	111.1	P16 A18 T20 K25 R26 Y27	P16-A23 HydrophobicContact CB-CB 4.39Å; A18-A23 HydrophobicContact CB-CB 3.92Å; A18-A23 VanDerWaalsContact O-CB 3.3Å; A18-A23 WeakPolarHBondContact O-CB 3.22Å; T20-A23 PolarHBondContact O-N 2.96Å; T20-A23 WeakPolarHBondContact OG1-CB 3.07Å; T20-A23 PolarHBondContact OG1-N 3.1Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 2.85Å; A23-R26 PolarHBondContact O-N 2.79Å; A23-Y27 PolarHBondContact O-N 3.28Å
24	V	97.5	Very high	97.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-44.4	173.5	172.3	0	0	0	0	110.9	P16 T20 R26 Y27 L28 V61 A62 Y65	P16-V24 HydrophobicContact CB-CG2 3.99Å; P16-V24 HydrophobicContact CG-CB 4.36Å; P16-V24 HydrophobicContact CG-CG2 3.75Å; T20-V24 WeakPolarHBondContact O-CB 3.49Å; T20-V24 WeakPolarHBondContact O-CG2 3.27Å; T20-V24 PolarHBondContact O-N 2.94Å; V24-R26 VanDerWaalsContact C-N 3.31Å; V24-R26 PolarHBondContact O-N 3.19Å; V24-Y27 PolarHBondContact O-N 3.49Å; V24-L28 HydrophobicContact CG1-CD1 3.66Å; V24-L28 HydrophobicContact CG1-CG 4.02Å; V24-L28 WeakPolarHBondContact O-CB 3.35Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 2.93Å; V24-V61 HydrophobicContact CG1-CB 3.95Å; V24-V61 HydrophobicContact CG1-CG1 3.72Å; V24-A62 HydrophobicContact CB-CB 4.44Å; V24-A62 HydrophobicContact CG2-CB 3.87Å; V24-Y65 HydrophobicContact CG2-CD2 4.02Å
25	K	97.7	Very high	97.2	Very high	94 Å²	94	54.4 Å²	54.4	41%	0.409	27%	0.265	S	S	.	.	H	α-helix	trans	-60.5	-40.9	177.3	-177.4	173.8	-176.6	-178.9	0	111.8	P21 E22 A23 K29 L54 S58	P21-K25 WeakPolarHBondContact O-CB 3.24Å; P21-K25 PolarHBondContact O-N 2.87Å; E22-K25 PolarHBondContact O-N 3.13Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 2.85Å; K25-K29 WeakPolarHBondContact O-CB 3.42Å; K25-K29 PolarHBondContact O-N 3.43Å; K25-L54 HydrophobicContact CG-CB 4.16Å; K25-L54 HydrophobicContact CG-CD1 4.43Å; K25-L54 HydrophobicContact CG-CD2 4.48Å; K25-S58 WeakPolarHBondContact CA-OG 3.25Å; K25-S58 WeakPolarHBondContact CB-OG 3.2Å
26	R	97.7	Very high	97.1	Very high	144 Å²	144	57.9 Å²	57.9	54%	0.543	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-49.4	176.9	177.8	170.5	56.5	-124.9	0.8	111.3	D17 E22 A23 V24 K29 Q30	D17-R26 IonicContact OD2-CZ 3.94Å; D17-R26 IonicContact OD2-NE 3.43Å; D17-R26 PolarHBondContact OD2-NE 3.27Å; D17-R26 IonicContact OD2-NH2 3.94Å; D17-R26 PolarHBondContact OD2-NH2 2.91Å; E22-R26 PolarHBondContact O-N 3.4Å; A23-R26 PolarHBondContact O-N 2.79Å; V24-R26 VanDerWaalsContact C-N 3.31Å; V24-R26 PolarHBondContact O-N 3.19Å; R26-K29 PolarHBondContact O-N 2.92Å; R26-Q30 PolarHBondContact O-N 3.36Å
27	Y	97.6	Very high	97	Very high	11 Å²	11	58.9 Å²	58.9	4%	0.043	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-55.5	176.5	167.5	-106.4	0	0	0	111.9	L13 G14 P16 A23 V24 K29 Q30 F31	L13-Y27 WeakPolarHBondContact CD2-OH 3.41Å; G14-Y27 VanDerWaalsContact C-CE2 3.47Å; G14-Y27 PolarHBondContact O-OH 3.2Å; P16-Y27 HydrophobicContact CG-CD1 3.75Å; P16-Y27 HydrophobicContact CG-CG 3.98Å; A23-Y27 PolarHBondContact O-N 3.28Å; V24-Y27 PolarHBondContact O-N 3.49Å; Y27-K29 PolarHBondContact O-N 3.39Å; Y27-Q30 PolarHBondContact O-N 3.42Å; Y27-F31 PolarHBondContact O-N 3.04Å
28	L	96.5	Very high	96.8	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-33.5	-179.6	-70.4	-178.4	0	0	0	112.4	V24 Q30 F31 L32 L54	V24-L28 HydrophobicContact CG1-CD1 3.66Å; V24-L28 HydrophobicContact CG1-CG 4.02Å; V24-L28 WeakPolarHBondContact O-CB 3.35Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 2.93Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-F31 HydrophobicContact CD2-CD1 4.46Å; L28-L32 HydrophobicContact CB-CD1 4.39Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 WeakPolarHBondContact O-CG 3.45Å; L28-L32 PolarHBondContact O-N 3.1Å; L28-L54 HydrophobicContact CB-CD2 3.58Å
29	K	97.6	Very high	96.6	Very high	95 Å²	95	57.4 Å²	57.4	41%	0.413	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-43.6	174.8	-179.5	-177.1	172.2	-170.2	0	111	K25 R26 Y27 S33 L54	K25-K29 WeakPolarHBondContact O-CB 3.42Å; K25-K29 PolarHBondContact O-N 3.43Å; R26-K29 PolarHBondContact O-N 2.92Å; Y27-K29 PolarHBondContact O-N 3.39Å; K29-S33 WeakPolarHBondContact O-CB 3.27Å; K29-S33 PolarHBondContact O-N 2.95Å; K29-S33 PolarHBondContact O-OG 3.16Å; K29-L54 HydrophobicContact CB-CD1 3.67Å; K29-L54 HydrophobicContact CB-CD2 4.38Å; K29-L54 HydrophobicContact CG-CD1 3.98Å
30	Q	97.3	Very high	96.3	Very high	87 Å²	87	58.6 Å²	58.6	41%	0.407	28%	0.278	S	S	.	.	H	α-helix	trans	-68.1	-54.1	178.6	-169.2	-174.3	-4.8	0	0	110.2	R26 Y27 L28 L32 S33 Y102	R26-Q30 PolarHBondContact O-N 3.36Å; Y27-Q30 PolarHBondContact O-N 3.42Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; Q30-L32 PolarHBondContact O-N 3.16Å; Q30-S33 PolarHBondContact O-N 2.94Å; Q30-S33 VanDerWaalsContact O-N 3.16Å; Q30-Y102 HydrophobicContact CG-CD1 3.95Å
31	F	97	Very high	96.1	Very high	41 Å²	41	58.6 Å²	58.6	18%	0.18	28%	0.281	C	S	.	.	H	α-helix	trans	-55.4	-55.1	-178.4	176.4	-142.6	0	0	0	112.3	L13 Y27 L28 S33 D34 V37 Y102	L13-F31 HydrophobicContact CD1-CD2 4.49Å; L13-F31 HydrophobicContact CD1-CE2 3.94Å; L13-F31 HydrophobicContact CD1-CZ 4.47Å; L13-F31 HydrophobicContact CD2-CE2 4.47Å; L13-F31 HydrophobicContact CD2-CZ 4.28Å; Y27-F31 PolarHBondContact O-N 3.04Å; L28-F31 HydrophobicContact CD2-CD1 4.46Å; F31-S33 PolarHBondContact O-N 2.59Å; F31-D34 WeakPolarHBondContact O-CB 3.44Å; F31-D34 PolarHBondContact O-N 3.41Å; F31-V37 HydrophobicContact CD2-CB 4.39Å; F31-V37 HydrophobicContact CD2-CG1 4.01Å; F31-V37 HydrophobicContact CD2-CG2 3.68Å; F31-V37 HydrophobicContact CE1-CG1 4.44Å; F31-V37 HydrophobicContact CE2-CB 4.11Å; F31-V37 HydrophobicContact CE2-CG1 3.53Å; F31-V37 HydrophobicContact CE2-CG2 3.4Å; F31-V37 HydrophobicContact CZ-CG1 3.77Å; F31-V37 HydrophobicContact CZ-CG2 4.4Å; F31-Y102 HydrophobicContact CB-CD1 4.46Å; F31-Y102 HydrophobicContact CB-CD2 4.02Å; F31-Y102 HydrophobicContact CB-CE2 4.49Å; F31-Y102 HydrophobicContact CB-CG 4Å; F31-Y102 AromaticContact CD2-CD2 3.47Å; F31-Y102 HydrophobicContact CD2-CD2 3.47Å; F31-Y102 VanDerWaalsContact CD2-CD2 3.47Å; F31-Y102 HydrophobicContact CD2-CE1 4.46Å; F31-Y102 AromaticContact CD2-CE2 3.21Å; F31-Y102 HydrophobicContact CD2-CE2 3.21Å; F31-Y102 HydrophobicContact CD2-CG 4.22Å; F31-Y102 AromaticContact CD2-CZ 3.75Å; F31-Y102 HydrophobicContact CE2-CD2 4.23Å; F31-Y102 AromaticContact CE2-CE2 3.72Å; F31-Y102 HydrophobicContact CE2-CE2 3.72Å; F31-Y102 HydrophobicContact CG-CD2 4.06Å; F31-Y102 HydrophobicContact CG-CE2 4.22Å
32	L	96.1	Very high	95.8	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.052	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4.4	-177.2	-59	174.7	0	0	0	113.6	L28 Q30 V37 V38 W45 L49 I53	L28-L32 HydrophobicContact CB-CD1 4.39Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 WeakPolarHBondContact O-CG 3.45Å; L28-L32 PolarHBondContact O-N 3.1Å; Q30-L32 PolarHBondContact O-N 3.16Å; L32-V37 HydrophobicContact CD2-CG1 4.34Å; L32-V38 HydrophobicContact CD2-CG2 4.37Å; L32-W45 HydrophobicContact CB-CZ2 4.45Å; L32-W45 PolarHBondContact O-NE1 2.84Å; L32-L49 HydrophobicContact CB-CD1 3.67Å; L32-L49 HydrophobicContact CB-CD2 4.09Å; L32-L49 HydrophobicContact CD1-CD1 3.71Å; L32-L49 HydrophobicContact CG-CD1 4.35Å; L32-I53 HydrophobicContact CD1-CG2 4.23Å
33	S	96.4	Very high	95.6	Very high	29 Å²	29	60 Å²	60	20%	0.203	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-11.5	170.7	-65.4	0	0	0	0	113	K29 Q30 F31	K29-S33 WeakPolarHBondContact O-CB 3.27Å; K29-S33 PolarHBondContact O-N 2.95Å; K29-S33 PolarHBondContact O-OG 3.16Å; Q30-S33 PolarHBondContact O-N 2.94Å; Q30-S33 VanDerWaalsContact O-N 3.16Å; F31-S33 PolarHBondContact O-N 2.59Å
34	D	96.4	Very high	95.4	Very high	35 Å²	35	65.9 Å²	65.9	19%	0.187	31%	0.312	C	S	.	.			trans	-72.1	133.3	177.9	-165.7	-23.7	0	0	0	110.8	F31 R36 V37 V38 Y102	F31-D34 WeakPolarHBondContact O-CB 3.44Å; F31-D34 PolarHBondContact O-N 3.41Å; D34-R36 VanDerWaalsContact C-N 3.3Å; D34-R36 PolarHBondContact OD1-N 3.16Å; D34-V37 HydrophobicContact CB-CB 4.33Å; D34-V37 HydrophobicContact CB-CG2 3.93Å; D34-V37 PolarHBondContact O-N 3.28Å; D34-V38 PolarHBondContact O-N 3.26Å; D34-Y102 HydrophobicContact CB-CE1 3.87Å; D34-Y102 WeakPolarHBondContact OD2-CE1 3.3Å; D34-Y102 PolarHBondContact OD2-OH 3.39Å
35	R	94.9	Very high	95.3	Very high	144 Å²	144	67 Å²	67	54%	0.543	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-23.6	178.5	-78.9	-174.9	158.5	-179.6	-5.8	113.1	V37 V38 D39	R35-V37 PolarHBondContact O-N 2.98Å; R35-V38 WeakPolarHBondContact CA-O 3.4Å; R35-D39 WeakPolarHBondContact O-CA 3.44Å; R35-D39 PolarHBondContact O-N 2.76Å
36	R	95.7	Very high	95.2	Very high	78 Å²	78	67 Å²	67	29%	0.294	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26	171.7	-68.1	-62.4	-168.2	160.9	6.1	111.9	D34 C133 S134 A138 D141	D34-R36 VanDerWaalsContact C-N 3.3Å; D34-R36 PolarHBondContact OD1-N 3.16Å; R36-C133 WeakPolarHBondContact CD-O 3.49Å; R36-S134 VanDerWaalsContact O-CA 3.25Å; R36-S134 WeakPolarHBondContact O-CA 3.5Å; R36-S134 VanDerWaalsContact O-CB 3.23Å; R36-S134 WeakPolarHBondContact O-CB 3.36Å; R36-A138 HydrophobicContact CB-CB 3.91Å; R36-A138 HydrophobicContact CG-CB 4.12Å; R36-D141 WeakPolarHBondContact CG-OD2 3.29Å; R36-D141 IonicContact CZ-OD1 3.52Å; R36-D141 IonicContact CZ-OD2 2.74Å; R36-D141 IonicContact NE-OD1 2.74Å; R36-D141 IonicContact NE-OD2 3.44Å; R36-D141 PolarHBondContact NE-OD2 3.32Å; R36-D141 IonicContact NH2-OD1 3.68Å; R36-D141 PolarHBondContact NH2-OD1 3.07Å; R36-D141 IonicContact NH2-OD2 3.56Å; R36-D141 PolarHBondContact NH2-OD2 3.41Å
37	V	95	Very high	95.1	Very high	23 Å²	23	64.1 Å²	64.1	14%	0.139	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-52.1	-178.9	-176.6	0	0	0	0	110.3	F31 L32 D34 R35 Y102 Y200	F31-V37 HydrophobicContact CD2-CB 4.39Å; F31-V37 HydrophobicContact CD2-CG1 4.01Å; F31-V37 HydrophobicContact CD2-CG2 3.68Å; F31-V37 HydrophobicContact CE1-CG1 4.44Å; F31-V37 HydrophobicContact CE2-CB 4.11Å; F31-V37 HydrophobicContact CE2-CG1 3.53Å; F31-V37 HydrophobicContact CE2-CG2 3.4Å; F31-V37 HydrophobicContact CZ-CG1 3.77Å; F31-V37 HydrophobicContact CZ-CG2 4.4Å; L32-V37 HydrophobicContact CD2-CG1 4.34Å; D34-V37 HydrophobicContact CB-CB 4.33Å; D34-V37 HydrophobicContact CB-CG2 3.93Å; D34-V37 PolarHBondContact O-N 3.28Å; R35-V37 PolarHBondContact O-N 2.98Å; V37-Y102 VanDerWaalsContact CG2-OH 3.32Å; V37-Y102 WeakPolarHBondContact CG2-OH 3.44Å; V37-Y200 PolarHBondContact O-OH 3.4Å
38	V	93.8	Very high	95	Very high	18 Å²	18	67.2 Å²	67.2	11%	0.109	33%	0.331	C	S	.	.			trans	-128.1	105.1	175.3	-174.1	0	0	0	0	109.8	L32 D34 R35 T40 W45	L32-V38 HydrophobicContact CD2-CG2 4.37Å; D34-V38 PolarHBondContact O-N 3.26Å; R35-V38 WeakPolarHBondContact CA-O 3.4Å; V38-T40 VanDerWaalsContact C-N 3.32Å; V38-T40 PolarHBondContact O-N 3.44Å; V38-W45 HydrophobicContact CB-CZ2 4.26Å; V38-W45 HydrophobicContact CG1-CD2 3.73Å; V38-W45 HydrophobicContact CG1-CE3 4.12Å; V38-W45 HydrophobicContact CG1-CG 4.12Å; V38-W45 HydrophobicContact CG1-CH2 4.3Å; V38-W45 HydrophobicContact CG1-CZ2 3.93Å; V38-W45 HydrophobicContact CG1-CZ3 4.38Å; V38-W45 HydrophobicContact CG2-CZ2 3.83Å
39	D	92.4	Very high	95	Very high	62 Å²	62	66.6 Å²	66.6	33%	0.332	33%	0.327	S	S	.	.			trans	-85.5	-1.4	-177	69.3	-14.3	0	0	0	114.3	R35 R199 Y200	R35-D39 WeakPolarHBondContact O-CA 3.44Å; R35-D39 PolarHBondContact O-N 2.76Å; D39-R199 VanDerWaalsContact CG-NH2 3.25Å; D39-R199 IonicContact OD1-CZ 3.5Å; D39-R199 IonicContact OD1-NH1 2.81Å; D39-R199 IonicContact OD1-NH2 3.73Å; D39-R199 PolarHBondContact OD1-NH2 3.07Å; D39-R199 IonicContact OD2-CZ 3.19Å; D39-R199 VanDerWaalsContact OD2-CZ 3.29Å; D39-R199 IonicContact OD2-NH1 3.94Å; D39-R199 PolarHBondContact OD2-NH1 2.85Å; D39-R199 IonicContact OD2-NH2 3.05Å; D39-R199 PolarHBondContact OD2-NH2 2.92Å; D39-Y200 PolarHBondContact N-OH 3.4Å
40	T	91.7	Very high	94.9	Very high	62 Å²	62	67.7 Å²	67.7	38%	0.38	33%	0.329	S	S	.	.	S	Bend	trans	-55.3	143.4	175.5	-62.3	0	0	0	0	111.2	V38 R42 L44 W45	V38-T40 VanDerWaalsContact C-N 3.32Å; V38-T40 PolarHBondContact O-N 3.44Å; T40-R42 PolarHBondContact O-N 2.77Å; T40-L44 HydrophobicContact CG2-CB 4.49Å; T40-W45 HydrophobicContact CG2-CB 4.25Å
41	S	93.2	Very high	94.9	Very high	62 Å²	62	66 Å²	66	43%	0.434	34%	0.335	S	S	.	.			trans	-48.5	126	178.3	178.5	0	0	0	0	111.9	L43 L44 W45	S41-L43 PolarHBondContact O-N 2.91Å; S41-L43 VanDerWaalsContact O-N 3.14Å; S41-L44 PolarHBondContact O-N 2.93Å; S41-W45 PolarHBondContact O-N 3.38Å
42	R	92.4	Very high	94.8	Very high	100 Å²	100	67.4 Å²	67.4	38%	0.377	35%	0.347	S	S	.	.	H	α-helix	trans	-58.5	-30.7	-175.3	-72.7	-179.7	170.2	177.3	-0.5	113.2	T40 L44 W45 W46	T40-R42 PolarHBondContact O-N 2.77Å; R42-L44 PolarHBondContact O-N 3.42Å; R42-W45 PolarHBondContact O-N 3.36Å; R42-W46 HydrophobicContact CB-CD2 4.22Å; R42-W46 HydrophobicContact CB-CG 4.4Å; R42-W46 HydrophobicContact CB-CZ2 4.44Å; R42-W46 HydrophobicContact CG-CZ2 4.32Å; R42-W46 VanDerWaalsContact O-CB 3.23Å; R42-W46 WeakPolarHBondContact O-CB 3.24Å; R42-W46 VanDerWaalsContact O-CG 3.3Å; R42-W46 PolarHBondContact O-N 2.86Å
43	L	92.6	Very high	94.7	Very high	148 Å²	148	68 Å²	68	78%	0.775	35%	0.35	S	S	*	.	H	α-helix	trans	-63.9	-33.1	177.8	-62.8	178.7	0	0	0	111.9	S41 P47	S41-L43 PolarHBondContact O-N 2.91Å; S41-L43 VanDerWaalsContact O-N 3.14Å; L43-P47 WeakPolarHBondContact O-CD 3.38Å; L43-P47 VanDerWaalsContact O-CG 3.3Å; L43-P47 WeakPolarHBondContact O-CG 3.43Å
44	L	94	Very high	94.7	Very high	126 Å²	126	66.8 Å²	66.8	66%	0.66	34%	0.341	S	S	*	.	H	α-helix	trans	-88.2	-42	176.2	-58.5	177.3	0	0	0	111.1	T40 S41 R42 P47	T40-L44 HydrophobicContact CG2-CB 4.49Å; S41-L44 PolarHBondContact O-N 2.93Å; R42-L44 PolarHBondContact O-N 3.42Å; L44-P47 WeakPolarHBondContact O-CD 3.4Å
45	W	95.4	Very high	94.6	Very high	24 Å²	24	67.8 Å²	67.8	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-73.1	-40	-173.2	-174.1	-121.2	0	0	0	113.2	L32 V38 T40 S41 R42 L48 L49 I53 F237	L32-W45 HydrophobicContact CB-CZ2 4.45Å; L32-W45 PolarHBondContact O-NE1 2.84Å; V38-W45 HydrophobicContact CB-CZ2 4.26Å; V38-W45 HydrophobicContact CG1-CD2 3.73Å; V38-W45 HydrophobicContact CG1-CE3 4.12Å; V38-W45 HydrophobicContact CG1-CG 4.12Å; V38-W45 HydrophobicContact CG1-CH2 4.3Å; V38-W45 HydrophobicContact CG1-CZ2 3.93Å; V38-W45 HydrophobicContact CG1-CZ3 4.38Å; V38-W45 HydrophobicContact CG2-CZ2 3.83Å; T40-W45 HydrophobicContact CG2-CB 4.25Å; S41-W45 PolarHBondContact O-N 3.38Å; R42-W45 PolarHBondContact O-N 3.36Å; W45-L48 HydrophobicContact CE3-CD2 3.92Å; W45-L48 HydrophobicContact CZ3-CD2 3.7Å; W45-L48 HydrophobicContact CZ3-CG 4.45Å; W45-L48 PolarHBondContact O-N 2.87Å; W45-L49 HydrophobicContact CZ2-CD1 4.32Å; W45-L49 WeakPolarHBondContact O-CB 3.39Å; W45-L49 PolarHBondContact O-N 3.4Å; W45-I53 HydrophobicContact CH2-CD1 3.2Å; W45-I53 HydrophobicContact CZ2-CD1 3.83Å; W45-I53 HydrophobicContact CZ3-CD1 3.63Å; W45-F237 AromaticContact CH2-CE1 3.78Å; W45-F237 HydrophobicContact CH2-CE1 3.78Å; W45-F237 HydrophobicContact CH2-CZ 4.08Å; W45-F237 HydrophobicContact CZ2-CE1 4.28Å
46	W	95.4	Very high	94.6	Very high	95 Å²	95	65.7 Å²	65.7	36%	0.36	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-44.4	-176.3	-73.1	1.4	0	0	0	114	R42 L48 R50	R42-W46 HydrophobicContact CB-CD2 4.22Å; R42-W46 HydrophobicContact CB-CG 4.4Å; R42-W46 HydrophobicContact CB-CZ2 4.44Å; R42-W46 HydrophobicContact CG-CZ2 4.32Å; R42-W46 VanDerWaalsContact O-CB 3.23Å; R42-W46 WeakPolarHBondContact O-CB 3.24Å; R42-W46 VanDerWaalsContact O-CG 3.3Å; R42-W46 PolarHBondContact O-N 2.86Å; W46-L48 VanDerWaalsContact C-N 3.34Å; W46-R50 VanDerWaalsContact O-CB 3.32Å; W46-R50 WeakPolarHBondContact O-CB 3.44Å; W46-R50 WeakPolarHBondContact O-CG 3.25Å; W46-R50 PolarHBondContact O-N 2.92Å
47	P	96.1	Very high	94.5	Very high	83 Å²	83	66.7 Å²	66.7	54%	0.539	35%	0.353	S	S	.	.	H	α-helix	trans	-59.5	-43.9	172.7	-25	35.1	0	0	0	112.2	L43 L44 G51	L43-P47 WeakPolarHBondContact O-CD 3.38Å; L43-P47 VanDerWaalsContact O-CG 3.3Å; L43-P47 WeakPolarHBondContact O-CG 3.43Å; L44-P47 WeakPolarHBondContact O-CD 3.4Å; P47-G51 WeakPolarHBondContact O-CA 3.45Å; P47-G51 PolarHBondContact O-N 3.44Å
48	L	95.4	Very high	94.6	Very high	76 Å²	76	65.7 Å²	65.7	40%	0.398	35%	0.347	S	S	.	.	H	α-helix	trans	-65	-47.8	179.4	-179.1	63.2	0	0	0	111.9	W45 W46 V52 I53	W45-L48 HydrophobicContact CE3-CD2 3.92Å; W45-L48 HydrophobicContact CZ3-CD2 3.7Å; W45-L48 HydrophobicContact CZ3-CG 4.45Å; W45-L48 PolarHBondContact O-N 2.87Å; W46-L48 VanDerWaalsContact C-N 3.34Å; L48-V52 HydrophobicContact CD1-CB 4.02Å; L48-V52 HydrophobicContact CD1-CG2 4.16Å; L48-V52 WeakPolarHBondContact O-CB 3.48Å; L48-V52 PolarHBondContact O-N 2.86Å; L48-I53 HydrophobicContact CD2-CD1 4.15Å; L48-I53 HydrophobicContact CG-CD1 3.82Å; L48-I53 HydrophobicContact CG-CG1 4.21Å; L48-I53 PolarHBondContact O-N 2.84Å
49	L	96.1	Very high	94.7	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.359	C	S	.	.	I	π-helix	trans	-59.2	-52.1	179.3	177.8	61.5	0	0	0	110.6	L32 W45 I53 L54	L32-L49 HydrophobicContact CB-CD1 3.67Å; L32-L49 HydrophobicContact CB-CD2 4.09Å; L32-L49 HydrophobicContact CD1-CD1 3.71Å; L32-L49 HydrophobicContact CG-CD1 4.35Å; W45-L49 HydrophobicContact CZ2-CD1 4.32Å; W45-L49 WeakPolarHBondContact O-CB 3.39Å; W45-L49 PolarHBondContact O-N 3.4Å; L49-I53 HydrophobicContact CD1-CB 4.27Å; L49-I53 HydrophobicContact CD1-CG2 4.19Å; L49-L54 HydrophobicContact CD1-CD1 4.29Å; L49-L54 HydrophobicContact CD1-CD2 4.07Å; L49-L54 HydrophobicContact CD1-CG 3.79Å; L49-L54 HydrophobicContact CG-CD1 4.07Å; L49-L54 HydrophobicContact CG-CG 4.08Å; L49-L54 VanDerWaalsContact O-CB 3.29Å; L49-L54 WeakPolarHBondContact O-CB 3.47Å; L49-L54 WeakPolarHBondContact O-CG 3.48Å; L49-L54 PolarHBondContact O-N 3.47Å
50	R	96.4	Very high	94.7	Very high	118 Å²	118	73 Å²	73	45%	0.445	38%	0.375	S	S	.	.	I	π-helix	trans	-80.2	-32.4	-172.4	-62.8	176.5	-176	-171.8	4.3	113.2	W46 P55	W46-R50 VanDerWaalsContact O-CB 3.32Å; W46-R50 WeakPolarHBondContact O-CB 3.44Å; W46-R50 WeakPolarHBondContact O-CG 3.25Å; W46-R50 PolarHBondContact O-N 2.92Å; R50-P55 WeakPolarHBondContact O-CD 3.26Å
51	G	95.9	Very high	94.7	Very high	53 Å²	53	70.8 Å²	70.8	55%	0.546	36%	0.361	S	S	.	.	I	π-helix	trans	-88.9	-31.6	-176.4	0	0	0	0	0	114.4	P47	P47-G51 WeakPolarHBondContact O-CA 3.45Å; P47-G51 PolarHBondContact O-N 3.44Å
52	V	94.8	Very high	94.9	Very high	69 Å²	69	68 Å²	68	42%	0.418	34%	0.342	S	S	.	.	I	π-helix	trans	-123.4	-56.9	-171.9	-175.3	0	0	0	0	111.8	L48 P55 L56	L48-V52 HydrophobicContact CD1-CB 4.02Å; L48-V52 HydrophobicContact CD1-CG2 4.16Å; L48-V52 WeakPolarHBondContact O-CB 3.48Å; L48-V52 PolarHBondContact O-N 2.86Å; V52-P55 WeakPolarHBondContact O-CD 3.28Å; V52-L56 HydrophobicContact CG1-CD1 3.73Å; V52-L56 WeakPolarHBondContact O-CB 3.39Å; V52-L56 VanDerWaalsContact O-CG 3.24Å; V52-L56 WeakPolarHBondContact O-CG 3.18Å; V52-L56 PolarHBondContact O-N 3.49Å
53	I	93.9	Very high	95	Very high	24 Å²	24	70.9 Å²	70.9	12%	0.123	36%	0.357	C	S	.	.	I	π-helix	trans	-65.9	-53.5	-170.8	-63.2	169	0	0	0	110.6	L32 W45 L48 L49 L56 R57 F237	L32-I53 HydrophobicContact CD1-CG2 4.23Å; W45-I53 HydrophobicContact CH2-CD1 3.2Å; W45-I53 HydrophobicContact CZ2-CD1 3.83Å; W45-I53 HydrophobicContact CZ3-CD1 3.63Å; L48-I53 HydrophobicContact CD2-CD1 4.15Å; L48-I53 HydrophobicContact CG-CD1 3.82Å; L48-I53 HydrophobicContact CG-CG1 4.21Å; L48-I53 PolarHBondContact O-N 2.84Å; L49-I53 HydrophobicContact CD1-CB 4.27Å; L49-I53 HydrophobicContact CD1-CG2 4.19Å; I53-L56 PolarHBondContact O-N 3.18Å; I53-R57 HydrophobicContact CG2-CB 4.39Å; I53-R57 WeakPolarHBondContact O-CA 3.2Å; I53-R57 WeakPolarHBondContact O-CB 3.3Å; I53-R57 PolarHBondContact O-N 3.39Å; I53-F237 HydrophobicContact CD1-CZ 4.23Å; I53-F237 HydrophobicContact CG2-CZ 4.29Å
54	L	96.8	Very high	95	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-48.6	-177.2	-70.9	177.5	0	0	0	112.6	K25 L28 K29 L49 L56 S58	K25-L54 HydrophobicContact CG-CB 4.16Å; K25-L54 HydrophobicContact CG-CD1 4.43Å; K25-L54 HydrophobicContact CG-CD2 4.48Å; L28-L54 HydrophobicContact CB-CD2 3.58Å; K29-L54 HydrophobicContact CB-CD1 3.67Å; K29-L54 HydrophobicContact CB-CD2 4.38Å; K29-L54 HydrophobicContact CG-CD1 3.98Å; L49-L54 HydrophobicContact CD1-CD1 4.29Å; L49-L54 HydrophobicContact CD1-CD2 4.07Å; L49-L54 HydrophobicContact CD1-CG 3.79Å; L49-L54 HydrophobicContact CG-CD1 4.07Å; L49-L54 HydrophobicContact CG-CG 4.08Å; L49-L54 VanDerWaalsContact O-CB 3.29Å; L49-L54 WeakPolarHBondContact O-CB 3.47Å; L49-L54 WeakPolarHBondContact O-CG 3.48Å; L49-L54 PolarHBondContact O-N 3.47Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-L56 PolarHBondContact O-N 2.84Å; L54-S58 VanDerWaalsContact O-CB 3.22Å; L54-S58 WeakPolarHBondContact O-CB 3.49Å; L54-S58 PolarHBondContact O-N 3Å; L54-S58 VanDerWaalsContact O-N 3.12Å; L54-S58 PolarHBondContact O-OG 3.47Å
55	P	95.8	Very high	95	Very high	57 Å²	57	61.1 Å²	61.1	37%	0.37	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-37.4	178.7	-25.3	36.7	0	0	0	114	R50 V52 P59	R50-P55 WeakPolarHBondContact O-CD 3.26Å; V52-P55 WeakPolarHBondContact O-CD 3.28Å; P55-P59 WeakPolarHBondContact O-CD 3.23Å; P55-P59 WeakPolarHBondContact O-CG 3.37Å
56	L	94.7	Very high	95	Very high	99 Å²	99	62.6 Å²	62.6	52%	0.518	32%	0.322	S	S	.	.	H	α-helix	trans	-84.4	-39.4	-176.9	-63.7	178.1	0	0	0	113.2	V52 I53 L54	V52-L56 HydrophobicContact CG1-CD1 3.73Å; V52-L56 WeakPolarHBondContact O-CB 3.39Å; V52-L56 VanDerWaalsContact O-CG 3.24Å; V52-L56 WeakPolarHBondContact O-CG 3.18Å; V52-L56 PolarHBondContact O-N 3.49Å; I53-L56 PolarHBondContact O-N 3.18Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-L56 PolarHBondContact O-N 2.84Å
57	R	93.7	Very high	94.9	Very high	100 Å²	100	61.3 Å²	61.3	38%	0.377	33%	0.328	S	S	.	.	H	α-helix	trans	-83.8	-39.4	-172.7	-167.3	174.2	179.7	113.5	-6.8	112.1	I53 R60 V61 F237	I53-R57 HydrophobicContact CG2-CB 4.39Å; I53-R57 WeakPolarHBondContact O-CA 3.2Å; I53-R57 WeakPolarHBondContact O-CB 3.3Å; I53-R57 PolarHBondContact O-N 3.39Å; R57-R60 PolarHBondContact O-N 2.91Å; R57-R60 VanDerWaalsContact O-N 3.11Å; R57-V61 HydrophobicContact CG-CG2 3.63Å; R57-V61 WeakPolarHBondContact O-CG2 3.47Å; R57-V61 PolarHBondContact O-N 3.03Å; R57-F237 VanDerWaalsContact NH1-CE2 3.25Å
58	S	95.7	Very high	94.6	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.014	31%	0.307	C	S	.	.	H	α-helix	trans	-58.7	-43.7	-173.3	-47.5	0	0	0	0	113.4	K25 L54 R60 V61 A62	K25-S58 WeakPolarHBondContact CA-OG 3.25Å; K25-S58 WeakPolarHBondContact CB-OG 3.2Å; L54-S58 VanDerWaalsContact O-CB 3.22Å; L54-S58 WeakPolarHBondContact O-CB 3.49Å; L54-S58 PolarHBondContact O-N 3Å; L54-S58 VanDerWaalsContact O-N 3.12Å; L54-S58 PolarHBondContact O-OG 3.47Å; S58-R60 VanDerWaalsContact C-N 3.33Å; S58-R60 PolarHBondContact O-N 3.25Å; S58-V61 PolarHBondContact O-N 3.43Å; S58-A62 VanDerWaalsContact O-CB 3.25Å; S58-A62 WeakPolarHBondContact O-CB 3.24Å; S58-A62 PolarHBondContact O-N 2.95Å
59	P	95.8	Very high	94.6	Very high	56 Å²	56	58.1 Å²	58.1	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-35.3	177.4	-22.5	34.4	0	0	0	113.5	P21 P55 K63	P21-P59 HydrophobicContact CB-CG 4.4Å; P21-P59 HydrophobicContact CG-CB 4.48Å; P55-P59 WeakPolarHBondContact O-CD 3.23Å; P55-P59 WeakPolarHBondContact O-CG 3.37Å; P59-K63 PolarHBondContact O-N 3.22Å
60	R	92.7	Very high	94.6	Very high	177 Å²	177	61.1 Å²	61.1	67%	0.668	32%	0.317	S	S	*	.	H	α-helix	trans	-70.8	-48.9	178.1	-63.1	-178.9	-170.3	162.6	2.9	110.6	R57 S58 A62 K63 L64	R57-R60 PolarHBondContact O-N 2.91Å; R57-R60 VanDerWaalsContact O-N 3.11Å; S58-R60 VanDerWaalsContact C-N 3.33Å; S58-R60 PolarHBondContact O-N 3.25Å; R60-A62 VanDerWaalsContact C-N 3.27Å; R60-A62 PolarHBondContact O-N 3.28Å; R60-K63 WeakPolarHBondContact O-CB 3.43Å; R60-K63 PolarHBondContact O-N 2.75Å; R60-K63 VanDerWaalsContact O-N 3.1Å; R60-L64 PolarHBondContact O-N 2.84Å
61	V	92.5	Very high	94.4	Very high	16 Å²	16	64.6 Å²	64.6	10%	0.097	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-33.7	179.1	172.7	0	0	0	0	111.4	V24 R57 S58 K63 L64 Y65 L274	V24-V61 HydrophobicContact CG1-CB 3.95Å; V24-V61 HydrophobicContact CG1-CG1 3.72Å; R57-V61 HydrophobicContact CG-CG2 3.63Å; R57-V61 WeakPolarHBondContact O-CG2 3.47Å; R57-V61 PolarHBondContact O-N 3.03Å; S58-V61 PolarHBondContact O-N 3.43Å; V61-K63 VanDerWaalsContact C-N 3.3Å; V61-K63 PolarHBondContact O-N 3.45Å; V61-L64 PolarHBondContact O-N 2.8Å; V61-L64 VanDerWaalsContact O-N 3.14Å; V61-Y65 HydrophobicContact CG1-CD2 3.58Å; V61-Y65 HydrophobicContact CG1-CE2 3.54Å; V61-Y65 WeakPolarHBondContact O-CD2 3.31Å; V61-Y65 PolarHBondContact O-N 2.74Å; V61-L274 HydrophobicContact CG1-CD2 4.38Å
62	A	96.1	Very high	94.2	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-38.3	172.9	0	0	0	0	0	113.1	P21 V24 S58 R60 L64 Y65 A66	P21-A62 HydrophobicContact CG-CB 4.1Å; V24-A62 HydrophobicContact CB-CB 4.44Å; V24-A62 HydrophobicContact CG2-CB 3.87Å; S58-A62 VanDerWaalsContact O-CB 3.25Å; S58-A62 WeakPolarHBondContact O-CB 3.24Å; S58-A62 PolarHBondContact O-N 2.95Å; R60-A62 VanDerWaalsContact C-N 3.27Å; R60-A62 PolarHBondContact O-N 3.28Å; A62-L64 VanDerWaalsContact C-N 3.32Å; A62-L64 PolarHBondContact O-N 3.18Å; A62-Y65 PolarHBondContact O-N 3.44Å; A62-A66 WeakPolarHBondContact O-CB 3.5Å; A62-A66 PolarHBondContact O-N 3.4Å
63	K	94.7	Very high	94.3	Very high	160 Å²	160	61.8 Å²	61.8	70%	0.696	32%	0.323	S	S	*	.	H	α-helix	trans	-64.8	-38.1	174.9	-64.9	-179.5	-178.4	-172.7	0	112	P59 R60 V61 A66 S67	P59-K63 PolarHBondContact O-N 3.22Å; R60-K63 WeakPolarHBondContact O-CB 3.43Å; R60-K63 PolarHBondContact O-N 2.75Å; R60-K63 VanDerWaalsContact O-N 3.1Å; V61-K63 VanDerWaalsContact C-N 3.3Å; V61-K63 PolarHBondContact O-N 3.45Å; K63-A66 WeakPolarHBondContact O-CB 3.48Å; K63-A66 PolarHBondContact O-N 2.82Å; K63-S67 PolarHBondContact O-N 2.85Å
64	L	92.4	Very high	94.4	Very high	56 Å²	56	60.8 Å²	60.8	29%	0.293	32%	0.318	S	S	.	.	H	α-helix	trans	-68.8	-42.8	176.7	-53.6	178	0	0	0	111.2	R60 V61 A62 A66 S67 L274 E278	R60-L64 PolarHBondContact O-N 2.84Å; V61-L64 PolarHBondContact O-N 2.8Å; V61-L64 VanDerWaalsContact O-N 3.14Å; A62-L64 VanDerWaalsContact C-N 3.32Å; A62-L64 PolarHBondContact O-N 3.18Å; L64-A66 VanDerWaalsContact C-N 3.25Å; L64-A66 PolarHBondContact O-N 2.92Å; L64-S67 PolarHBondContact O-N 2.66Å; L64-S67 PolarHBondContact O-OG 3.29Å; L64-L274 HydrophobicContact CB-CD1 3.67Å; L64-L274 HydrophobicContact CB-CD2 4.17Å; L64-E278 HydrophobicContact CB-CG 4.49Å; L64-E278 HydrophobicContact CD2-CG 4.09Å
65	Y	94.2	Very high	94.3	Very high	13 Å²	13	60.7 Å²	60.7	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-37.2	171.5	-88.4	-73.1	0	0	0	112.2	T15 P16 V24 V61 A62 V68 W69 L274	T15-Y65 WeakPolarHBondContact OG1-CE1 3.23Å; P16-Y65 HydrophobicContact CG-CD1 4.43Å; P16-Y65 HydrophobicContact CG-CD2 3.97Å; P16-Y65 HydrophobicContact CG-CE1 4.17Å; P16-Y65 HydrophobicContact CG-CE2 3.69Å; P16-Y65 HydrophobicContact CG-CG 4.34Å; V24-Y65 HydrophobicContact CG2-CD2 4.02Å; V61-Y65 HydrophobicContact CG1-CD2 3.58Å; V61-Y65 HydrophobicContact CG1-CE2 3.54Å; V61-Y65 WeakPolarHBondContact O-CD2 3.31Å; V61-Y65 PolarHBondContact O-N 2.74Å; A62-Y65 PolarHBondContact O-N 3.44Å; Y65-V68 PolarHBondContact O-N 2.9Å; Y65-W69 HydrophobicContact CD1-CE3 4.49Å; Y65-W69 HydrophobicContact CD1-CZ3 4.26Å; Y65-W69 WeakPolarHBondContact O-CB 3.47Å; Y65-W69 PolarHBondContact O-N 2.98Å; Y65-L274 HydrophobicContact CD2-CD2 4.13Å; Y65-L274 HydrophobicContact CE1-CB 4.26Å; Y65-L274 HydrophobicContact CE2-CD2 3.85Å
66	A	95.4	Very high	94.3	Very high	54 Å²	54	58.6 Å²	58.6	45%	0.446	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-35.4	177.8	0	0	0	0	0	112.6	P19 A62 K63 L64 V68 W69	P19-A66 HydrophobicContact CB-CB 3.94Å; A62-A66 WeakPolarHBondContact O-CB 3.5Å; A62-A66 PolarHBondContact O-N 3.4Å; K63-A66 WeakPolarHBondContact O-CB 3.48Å; K63-A66 PolarHBondContact O-N 2.82Å; L64-A66 VanDerWaalsContact C-N 3.25Å; L64-A66 PolarHBondContact O-N 2.92Å; A66-V68 VanDerWaalsContact C-N 3.27Å; A66-V68 PolarHBondContact O-N 3.35Å; A66-W69 PolarHBondContact O-N 2.86Å
67	S	93	Very high	94.4	Very high	68 Å²	68	54.5 Å²	54.5	48%	0.476	28%	0.281	S	S	.	.	H	α-helix	trans	-69.1	-26.2	-179.5	64.6	0	0	0	0	113.2	K63 L64	K63-S67 PolarHBondContact O-N 2.85Å; L64-S67 PolarHBondContact O-N 2.66Å; L64-S67 PolarHBondContact O-OG 3.29Å
68	V	91.4	Very high	94.6	Very high	17 Å²	17	50.5 Å²	50.5	10%	0.103	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	6.4	179.5	-55	0	0	0	0	113.5	Y65 A66 M70 P75 L274 L277	Y65-V68 PolarHBondContact O-N 2.9Å; A66-V68 VanDerWaalsContact C-N 3.27Å; A66-V68 PolarHBondContact O-N 3.35Å; V68-M70 PolarHBondContact O-N 2.86Å; V68-P75 HydrophobicContact CB-CG 4.22Å; V68-P75 HydrophobicContact CG2-CG 4.17Å; V68-P75 VanDerWaalsContact O-CD 3.27Å; V68-P75 WeakPolarHBondContact O-CD 3.38Å; V68-P75 WeakPolarHBondContact O-CG 3.36Å; V68-L274 HydrophobicContact CG2-CD1 4.03Å; V68-L277 HydrophobicContact CB-CD1 4.31Å; V68-L277 HydrophobicContact CG1-CB 3.93Å
69	W	95.2	Very high	94.6	Very high	76 Å²	76	53.9 Å²	53.9	29%	0.288	28%	0.281	S	S	.	.			trans	-67.7	133.1	-174.6	-157.8	-94.4	0	0	0	111.4	P16 A18 P19 Y65 A66 G73	P16-W69 WeakPolarHBondContact O-CH2 3.33Å; A18-W69 VanDerWaalsContact CA-CH2 3.48Å; P19-W69 HydrophobicContact CB-CD2 3.92Å; P19-W69 HydrophobicContact CB-CE3 3.62Å; P19-W69 HydrophobicContact CB-CG 4.33Å; P19-W69 HydrophobicContact CB-CZ3 4.1Å; P19-W69 HydrophobicContact CG-CB 4.37Å; P19-W69 HydrophobicContact CG-CD2 3.69Å; P19-W69 HydrophobicContact CG-CE3 3.91Å; P19-W69 HydrophobicContact CG-CG 3.89Å; P19-W69 HydrophobicContact CG-CZ3 4.45Å; Y65-W69 HydrophobicContact CD1-CE3 4.49Å; Y65-W69 HydrophobicContact CD1-CZ3 4.26Å; Y65-W69 WeakPolarHBondContact O-CB 3.47Å; Y65-W69 PolarHBondContact O-N 2.98Å; A66-W69 PolarHBondContact O-N 2.86Å; W69-G73 VanDerWaalsContact CE2-C 3.46Å
70	M	95.1	Very high	94.7	Very high	63 Å²	63	51.2 Å²	51.2	31%	0.31	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-105.7	164.8	-178.7	-62.3	177.9	70.5	0	0	110.8	V68 G72 G73 P75 V78 Y79	V68-M70 PolarHBondContact O-N 2.86Å; M70-G72 PolarHBondContact O-N 3.46Å; M70-G73 CarbonylContact C-O 3.6Å; M70-G73 WeakPolarHBondContact CA-O 3.45Å; M70-G73 WeakPolarHBondContact CB-O 3.37Å; M70-G73 PolarHBondContact N-O 3.34Å; M70-G73 PolarHBondContact O-N 3.39Å; M70-G73 VanDerWaalsContact O-O 3.06Å; M70-P75 HydrophobicContact CG-CG 4.13Å; M70-P75 HydrophobicContact SD-CB 3.97Å; M70-P75 HydrophobicContact SD-CG 3.95Å; M70-V78 HydrophobicContact CB-CG2 4.05Å; M70-V78 HydrophobicContact CE-CG1 4.06Å; M70-V78 HydrophobicContact SD-CB 4.3Å; M70-V78 HydrophobicContact SD-CG1 4.38Å; M70-Y79 HydrophobicContact SD-CE2 4.1Å
71	E	93.5	Very high	94.9	Very high	191 Å²	191	47.9 Å²	47.9	89%	0.893	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	127.4	161.6	-171.4	176.3	-178.4	0	0	109.1	V78	E71-V78 WeakPolarHBondContact O-CG2 3.46Å
72	G	91.7	Very high	95.2	Very high	54 Å²	54	51.8 Å²	51.8	56%	0.557	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-8.8	-177.2	0	0	0	0	0	116	M70 R81	M70-G72 PolarHBondContact O-N 3.46Å; G72-R81 PolarHBondContact O-NH1 2.82Å
73	G	95.8	Very high	95.2	Very high	9 Å²	9	54.5 Å²	54.5	9%	0.093	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	141.4	-160	172.2	0	0	0	0	0	114.4	W69 M70	W69-G73 VanDerWaalsContact CE2-C 3.46Å; M70-G73 CarbonylContact C-O 3.6Å; M70-G73 WeakPolarHBondContact CA-O 3.45Å; M70-G73 WeakPolarHBondContact CB-O 3.37Å; M70-G73 PolarHBondContact N-O 3.34Å; M70-G73 PolarHBondContact O-N 3.39Å; M70-G73 VanDerWaalsContact O-O 3.06Å
74	S	96	Very high	95.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.014	26%	0.256	C	S	.	.			trans	-66.3	155.3	169.1	73.4	0	0	0	0	110.8	T15 L76 M77 V78	T15-S74 WeakPolarHBondContact CB-OG 3.44Å; T15-S74 WeakPolarHBondContact CG2-OG 3.39Å; T15-S74 VanDerWaalsContact OG1-CB 3.31Å; T15-S74 WeakPolarHBondContact OG1-CB 3.5Å; T15-S74 PolarHBondContact OG1-OG 2.91Å; S74-L76 PolarHBondContact O-N 2.88Å; S74-M77 PolarHBondContact O-N 2.95Å; S74-M77 PolarHBondContact OG-N 3.46Å; S74-V78 WeakPolarHBondContact O-CG2 3.15Å; S74-V78 PolarHBondContact O-N 3.31Å
75	P	94.9	Very high	95.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-49.3	-43.9	175.5	-30.4	36.4	0	0	0	113	V68 M70 M77 V78 Y79 D272 L277	V68-P75 HydrophobicContact CB-CG 4.22Å; V68-P75 HydrophobicContact CG2-CG 4.17Å; V68-P75 VanDerWaalsContact O-CD 3.27Å; V68-P75 WeakPolarHBondContact O-CD 3.38Å; V68-P75 WeakPolarHBondContact O-CG 3.36Å; M70-P75 HydrophobicContact CG-CG 4.13Å; M70-P75 HydrophobicContact SD-CB 3.97Å; M70-P75 HydrophobicContact SD-CG 3.95Å; P75-M77 VanDerWaalsContact C-N 3.32Å; P75-M77 PolarHBondContact O-N 2.87Å; P75-V78 PolarHBondContact O-N 3.38Å; P75-Y79 HydrophobicContact CB-CD2 4.1Å; P75-Y79 HydrophobicContact CB-CE2 3.96Å; P75-Y79 WeakPolarHBondContact O-CB 3.32Å; P75-Y79 WeakPolarHBondContact O-CD2 3.49Å; P75-Y79 PolarHBondContact O-N 3.23Å; P75-D272 CarbonylContact C-O 3.59Å; P75-D272 VanDerWaalsContact C-O 3.24Å; P75-D272 WeakPolarHBondContact CB-O 3.46Å; P75-L277 HydrophobicContact CB-CD1 3.83Å; P75-L277 HydrophobicContact CG-CD1 3.59Å
76	L	95.6	Very high	95.9	Very high	13 Å²	13	52.4 Å²	52.4	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-45.5	178.5	-175.9	149.9	0	0	0	111.2	T15 S74 S80 M100 D272 C273	T15-L76 HydrophobicContact CG2-CD2 4.3Å; S74-L76 PolarHBondContact O-N 2.88Å; L76-S80 WeakPolarHBondContact O-CB 3.45Å; L76-S80 PolarHBondContact O-N 3.33Å; L76-S80 PolarHBondContact O-OG 3.43Å; L76-M100 HydrophobicContact CD2-CE 4.09Å; L76-M100 HydrophobicContact CD2-SD 4.24Å; L76-D272 VanDerWaalsContact CA-O 3.27Å; L76-D272 WeakPolarHBondContact CA-O 3.47Å; L76-D272 PolarHBondContact N-O 3.11Å; L76-C273 HydrophobicContact CB-CB 4.14Å; L76-C273 HydrophobicContact CD1-CB 4.09Å
77	M	97.1	Very high	96	Very high	13 Å²	13	52 Å²	52	6%	0.064	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-46	178.5	-175.1	57.8	64.8	0	0	112	T15 S74 P75 S80 R81 L98 M100 S104	T15-M77 HydrophobicContact CG2-CB 4.04Å; T15-M77 HydrophobicContact CG2-CE 4.04Å; S74-M77 PolarHBondContact O-N 2.95Å; S74-M77 PolarHBondContact OG-N 3.46Å; P75-M77 VanDerWaalsContact C-N 3.32Å; P75-M77 PolarHBondContact O-N 2.87Å; M77-S80 PolarHBondContact O-N 3.5Å; M77-R81 WeakPolarHBondContact O-CB 3.48Å; M77-R81 WeakPolarHBondContact O-CG 3Å; M77-R81 PolarHBondContact O-N 3.41Å; M77-R81 HydrophobicContact SD-CG 4.23Å; M77-L98 HydrophobicContact SD-CD2 4.45Å; M77-M100 HydrophobicContact CE-CE 3.41Å; M77-M100 VanDerWaalsContact CE-CE 3.41Å; M77-M100 HydrophobicContact CE-CG 4.21Å; M77-M100 HydrophobicContact SD-CE 3.67Å; M77-S104 WeakPolarHBondContact CE-O 3.32Å
78	V	97.4	Very high	96.2	Very high	16 Å²	16	50.5 Å²	50.5	10%	0.097	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-51.5	-177.5	173.5	0	0	0	0	110.3	M70 E71 S74 P75 R81 Q82	M70-V78 HydrophobicContact CB-CG2 4.05Å; M70-V78 HydrophobicContact CE-CG1 4.06Å; M70-V78 HydrophobicContact SD-CB 4.3Å; M70-V78 HydrophobicContact SD-CG1 4.38Å; E71-V78 WeakPolarHBondContact O-CG2 3.46Å; S74-V78 WeakPolarHBondContact O-CG2 3.15Å; S74-V78 PolarHBondContact O-N 3.31Å; P75-V78 PolarHBondContact O-N 3.38Å; V78-R81 PolarHBondContact O-N 2.99Å; V78-Q82 WeakPolarHBondContact O-CG 3.29Å; V78-Q82 PolarHBondContact O-N 3.38Å
79	Y	96.2	Very high	96.6	Very high	73 Å²	73	57 Å²	57	29%	0.286	29%	0.289	S	S	.	.	H	α-helix	trans	-68.8	-37.1	180	-65.3	-54.1	0	0	0	112.5	M70 P75 R81 Q82 Q83 D272	M70-Y79 HydrophobicContact SD-CE2 4.1Å; P75-Y79 HydrophobicContact CB-CD2 4.1Å; P75-Y79 HydrophobicContact CB-CE2 3.96Å; P75-Y79 WeakPolarHBondContact O-CB 3.32Å; P75-Y79 WeakPolarHBondContact O-CD2 3.49Å; P75-Y79 PolarHBondContact O-N 3.23Å; Y79-R81 VanDerWaalsContact C-N 3.32Å; Y79-R81 PolarHBondContact O-N 3.46Å; Y79-Q82 PolarHBondContact O-N 3.05Å; Y79-Q83 WeakPolarHBondContact O-CB 3.3Å; Y79-Q83 VanDerWaalsContact O-CG 3.27Å; Y79-Q83 WeakPolarHBondContact O-CG 3.5Å; Y79-Q83 PolarHBondContact O-N 3.23Å; Y79-D272 HydrophobicContact CD2-CB 3.81Å; Y79-D272 HydrophobicContact CE2-CB 3.66Å
80	S	97.3	Very high	96.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-39.8	174.6	-60.9	0	0	0	0	111.9	N12 L76 M77 Q83 Q84	N12-S80 PolarHBondContact ND2-OG 2.97Å; L76-S80 WeakPolarHBondContact O-CB 3.45Å; L76-S80 PolarHBondContact O-N 3.33Å; L76-S80 PolarHBondContact O-OG 3.43Å; M77-S80 PolarHBondContact O-N 3.5Å; S80-Q83 PolarHBondContact O-N 2.95Å; S80-Q84 WeakPolarHBondContact O-CB 3.5Å; S80-Q84 PolarHBondContact O-N 3.29Å
81	R	97.8	Very high	96.8	Very high	107 Å²	107	63.1 Å²	63.1	40%	0.404	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-40.6	174.8	-76.4	178.4	174.8	159.5	-0.1	112.2	G72 M77 V78 Y79 Q83 Q84 Q85 L98	G72-R81 PolarHBondContact O-NH1 2.82Å; M77-R81 WeakPolarHBondContact O-CB 3.48Å; M77-R81 WeakPolarHBondContact O-CG 3Å; M77-R81 PolarHBondContact O-N 3.41Å; M77-R81 HydrophobicContact SD-CG 4.23Å; V78-R81 PolarHBondContact O-N 2.99Å; Y79-R81 VanDerWaalsContact C-N 3.32Å; Y79-R81 PolarHBondContact O-N 3.46Å; R81-Q83 VanDerWaalsContact C-N 3.3Å; R81-Q83 PolarHBondContact O-N 2.9Å; R81-Q84 WeakPolarHBondContact O-CB 3.34Å; R81-Q84 PolarHBondContact O-N 2.82Å; R81-Q85 WeakPolarHBondContact O-CB 3.2Å; R81-Q85 VanDerWaalsContact O-CG 3.25Å; R81-Q85 WeakPolarHBondContact O-CG 3.47Å; R81-Q85 PolarHBondContact O-N 3.17Å; R81-L98 HydrophobicContact CG-CD2 3.97Å
82	Q	97.7	Very high	96.9	Very high	97 Å²	97	59 Å²	59	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-40.1	174.6	-71.4	174.1	7.8	0	0	111.4	V78 Y79 Q85 A86	V78-Q82 WeakPolarHBondContact O-CG 3.29Å; V78-Q82 PolarHBondContact O-N 3.38Å; Y79-Q82 PolarHBondContact O-N 3.05Å; Q82-Q85 PolarHBondContact O-N 2.97Å; Q82-A86 VanDerWaalsContact O-CB 3.24Å; Q82-A86 WeakPolarHBondContact O-CB 3.29Å; Q82-A86 PolarHBondContact O-N 2.77Å
83	Q	97.1	Very high	97.1	Very high	62 Å²	62	64.5 Å²	64.5	29%	0.29	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-45.4	174.9	-73.3	170.7	-18.9	0	0	112	Y79 S80 R81 Q85 A86 L87 A270	Y79-Q83 WeakPolarHBondContact O-CB 3.3Å; Y79-Q83 VanDerWaalsContact O-CG 3.27Å; Y79-Q83 WeakPolarHBondContact O-CG 3.5Å; Y79-Q83 PolarHBondContact O-N 3.23Å; S80-Q83 PolarHBondContact O-N 2.95Å; R81-Q83 VanDerWaalsContact C-N 3.3Å; R81-Q83 PolarHBondContact O-N 2.9Å; Q83-Q85 PolarHBondContact O-N 2.97Å; Q83-A86 PolarHBondContact O-N 2.98Å; Q83-L87 VanDerWaalsContact O-CB 3.31Å; Q83-L87 WeakPolarHBondContact O-CB 3.36Å; Q83-L87 PolarHBondContact O-N 3.25Å; Q83-A270 PolarHBondContact NE2-O 3.19Å
84	Q	98.4	Very high	97.2	Very high	39 Å²	39	65.9 Å²	65.9	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-55	-51.3	173.8	-175.3	-166	11.7	0	0	110.9	L10 S80 R81 L87 A88 V96 L98	L10-Q84 HydrophobicContact CD1-CB 4.05Å; S80-Q84 WeakPolarHBondContact O-CB 3.5Å; S80-Q84 PolarHBondContact O-N 3.29Å; R81-Q84 WeakPolarHBondContact O-CB 3.34Å; R81-Q84 PolarHBondContact O-N 2.82Å; Q84-L87 PolarHBondContact O-N 3.04Å; Q84-A88 WeakPolarHBondContact O-CB 3.27Å; Q84-A88 PolarHBondContact O-N 3.04Å; Q84-V96 HydrophobicContact CG-CB 4.47Å; Q84-V96 HydrophobicContact CG-CG1 3.99Å; Q84-V96 PolarHBondContact NE2-O 3.5Å; Q84-L98 HydrophobicContact CB-CB 4.39Å; Q84-L98 HydrophobicContact CG-CB 4.22Å
85	Q	98.3	Very high	97.3	Very high	110 Å²	110	66.3 Å²	66.3	51%	0.514	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-45.7	-179.5	-71	169.6	5.4	0	0	112	R81 Q82 Q83 L87 A88 Q89	R81-Q85 WeakPolarHBondContact O-CB 3.2Å; R81-Q85 VanDerWaalsContact O-CG 3.25Å; R81-Q85 WeakPolarHBondContact O-CG 3.47Å; R81-Q85 PolarHBondContact O-N 3.17Å; Q82-Q85 PolarHBondContact O-N 2.97Å; Q83-Q85 PolarHBondContact O-N 2.97Å; Q85-L87 VanDerWaalsContact C-N 3.3Å; Q85-L87 PolarHBondContact O-N 3.14Å; Q85-A88 PolarHBondContact O-N 2.72Å; Q85-Q89 WeakPolarHBondContact O-CB 3.29Å; Q85-Q89 VanDerWaalsContact O-CG 3.24Å; Q85-Q89 WeakPolarHBondContact O-CG 3.41Å; Q85-Q89 PolarHBondContact O-N 3.4Å
86	A	98.4	Very high	97.5	Very high	35 Å²	35	66.8 Å²	66.8	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-34.8	179.1	0	0	0	0	0	112.4	Q82 Q83 R90	Q82-A86 VanDerWaalsContact O-CB 3.24Å; Q82-A86 WeakPolarHBondContact O-CB 3.29Å; Q82-A86 PolarHBondContact O-N 2.77Å; Q83-A86 PolarHBondContact O-N 2.98Å; A86-R90 WeakPolarHBondContact O-CG 3.38Å; A86-R90 PolarHBondContact O-N 3.08Å
87	L	98	Very high	97.6	Very high	46 Å²	46	66.1 Å²	66.1	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-71.9	-44.9	175.4	-175	58.6	0	0	0	111.4	I8 L10 Q83 Q84 Q85 Q89 R90 L91 V96	I8-L87 HydrophobicContact CD1-CD2 4.03Å; I8-L87 HydrophobicContact CD1-CG 4.43Å; I8-L87 HydrophobicContact CG2-CD2 4.07Å; L10-L87 HydrophobicContact CD1-CD2 4.4Å; L10-L87 HydrophobicContact CD2-CD2 3.95Å; L10-L87 HydrophobicContact CG-CD2 4.5Å; Q83-L87 VanDerWaalsContact O-CB 3.31Å; Q83-L87 WeakPolarHBondContact O-CB 3.36Å; Q83-L87 PolarHBondContact O-N 3.25Å; Q84-L87 PolarHBondContact O-N 3.04Å; Q85-L87 VanDerWaalsContact C-N 3.3Å; Q85-L87 PolarHBondContact O-N 3.14Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 3.41Å; L87-R90 PolarHBondContact O-N 3.01Å; L87-R90 VanDerWaalsContact O-N 3.07Å; L87-L91 HydrophobicContact CD1-CD1 3.74Å; L87-L91 HydrophobicContact CD1-CG 4.35Å; L87-L91 HydrophobicContact CG-CD1 4.32Å; L87-L91 PolarHBondContact O-N 3.35Å; L87-V96 HydrophobicContact CB-CG1 4.41Å; L87-V96 HydrophobicContact CD2-CG1 3.96Å; L87-V96 HydrophobicContact CD2-CG2 4.41Å; L87-V96 HydrophobicContact CG-CG1 4.34Å; L87-V96 HydrophobicContact CG-CG2 4.14Å
88	A	98.1	Very high	97.7	Very high	37 Å²	37	65.7 Å²	65.7	31%	0.306	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-39.2	175.9	0	0	0	0	0	112	Q84 Q85 R90 L91 P92 V96	Q84-A88 WeakPolarHBondContact O-CB 3.27Å; Q84-A88 PolarHBondContact O-N 3.04Å; Q85-A88 PolarHBondContact O-N 2.72Å; A88-R90 VanDerWaalsContact C-N 3.31Å; A88-R90 PolarHBondContact O-N 3.4Å; A88-L91 CarbonylContact O-C 3.55Å; A88-L91 PolarHBondContact O-N 3.47Å; A88-P92 WeakPolarHBondContact O-CA 3.08Å; A88-V96 HydrophobicContact CB-CB 4.2Å; A88-V96 HydrophobicContact CB-CG2 4.07Å
89	Q	98.4	Very high	97.8	Very high	153 Å²	153	65 Å²	65	72%	0.715	32%	0.317	S	S	*	.	H	α-helix	trans	-64.7	-34.3	174.7	-74.4	171.1	8.2	0	0	112.9	Q85 L87	Q85-Q89 WeakPolarHBondContact O-CB 3.29Å; Q85-Q89 VanDerWaalsContact O-CG 3.24Å; Q85-Q89 WeakPolarHBondContact O-CG 3.41Å; Q85-Q89 PolarHBondContact O-N 3.4Å; L87-Q89 VanDerWaalsContact C-N 3.29Å; L87-Q89 PolarHBondContact O-N 3.41Å
90	R	97.9	Very high	97.9	Very high	199 Å²	199	61.6 Å²	61.6	75%	0.751	30%	0.303	S	S	*	.	H	α-helix	trans	-77.1	-24.6	176.6	-78.6	-175	165	106.2	-2.9	113.1	A86 L87 A88	A86-R90 WeakPolarHBondContact O-CG 3.38Å; A86-R90 PolarHBondContact O-N 3.08Å; L87-R90 PolarHBondContact O-N 3.01Å; L87-R90 VanDerWaalsContact O-N 3.07Å; A88-R90 VanDerWaalsContact C-N 3.31Å; A88-R90 PolarHBondContact O-N 3.4Å
91	L	97.6	Very high	97.9	Very high	69 Å²	69	61.9 Å²	61.9	36%	0.361	31%	0.305	S	S	.	.			trans	-128.5	66.7	-176.7	-58.9	175.3	0	0	0	110.4	I8 L87 A88 E93 T94	I8-L91 HydrophobicContact CD1-CD1 3.65Å; L87-L91 HydrophobicContact CD1-CD1 3.74Å; L87-L91 HydrophobicContact CD1-CG 4.35Å; L87-L91 HydrophobicContact CG-CD1 4.32Å; L87-L91 PolarHBondContact O-N 3.35Å; A88-L91 CarbonylContact O-C 3.55Å; A88-L91 PolarHBondContact O-N 3.47Å; L91-E93 PolarHBondContact O-N 3.39Å; L91-E93 VanDerWaalsContact O-N 3.1Å; L91-T94 PolarHBondContact O-N 2.81Å
92	P	95.3	Very high	97.9	Very high	104 Å²	104	57 Å²	57	68%	0.675	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24	-170	24.3	-35	0	0	0	114.5	A88	A88-P92 WeakPolarHBondContact O-CA 3.08Å
93	E	94.9	Very high	97.8	Very high	169 Å²	169	53.5 Å²	53.5	79%	0.79	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-2.7	177.8	-57.5	-58.7	138.5	0	0	113.2	L91	L91-E93 PolarHBondContact O-N 3.39Å; L91-E93 VanDerWaalsContact O-N 3.1Å
94	T	97.9	Very high	97.7	Very high	38 Å²	38	53.8 Å²	53.8	23%	0.233	29%	0.285	C	S	.	.	S	Bend	trans	-115.8	111	-176.2	-58.7	0	0	0	0	109.7	I8 L91 V96	I8-T94 HydrophobicContact CD1-CG2 3.86Å; I8-T94 HydrophobicContact CG1-CG2 3.81Å; L91-T94 PolarHBondContact O-N 2.81Å; T94-V96 WeakPolarHBondContact O-CG2 3.45Å; T94-V96 PolarHBondContact O-N 3.43Å
95	P	98.4	Very high	97.7	Very high	11 Å²	11	53.4 Å²	53.4	7%	0.071	29%	0.286	C	S	.	.			trans	-54.7	133.7	172.4	-30.7	39.8	0	0	0	111.9	G7 I8 L114 E117 V119	G7-P95 CarbonylContact C-O 3.44Å; G7-P95 WeakPolarHBondContact CA-O 3.31Å; I8-P95 PolarHBondContact N-O 3.01Å; P95-L114 HydrophobicContact CB-CD2 3.63Å; P95-E117 WeakPolarHBondContact CB-OE1 3.36Å; P95-E117 HydrophobicContact CG-CB 4.2Å; P95-E117 VanDerWaalsContact CG-OE2 3.31Å; P95-E117 WeakPolarHBondContact CG-OE2 3.34Å; P95-V119 HydrophobicContact CB-CG2 4.19Å; P95-V119 HydrophobicContact CG-CG2 3.94Å
96	V	98.8	Very high	97.7	Very high	11 Å²	11	50 Å²	50	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	108.6	178.2	-172.5	0	0	0	0	109.4	I8 L10 Q84 L87 A88 T94	I8-V96 HydrophobicContact CB-CG1 4.35Å; I8-V96 HydrophobicContact CB-CG2 4.35Å; I8-V96 HydrophobicContact CD1-CG2 4.47Å; I8-V96 HydrophobicContact CG2-CG1 4.37Å; I8-V96 CarbonylContact O-C 3.52Å; I8-V96 WeakPolarHBondContact O-CA 3.16Å; L10-V96 HydrophobicContact CD1-CG1 4.01Å; L10-V96 HydrophobicContact CG-CG1 4.02Å; Q84-V96 HydrophobicContact CG-CB 4.47Å; Q84-V96 HydrophobicContact CG-CG1 3.99Å; Q84-V96 PolarHBondContact NE2-O 3.5Å; L87-V96 HydrophobicContact CB-CG1 4.41Å; L87-V96 HydrophobicContact CD2-CG1 3.96Å; L87-V96 HydrophobicContact CD2-CG2 4.41Å; L87-V96 HydrophobicContact CG-CG1 4.34Å; L87-V96 HydrophobicContact CG-CG2 4.14Å; A88-V96 HydrophobicContact CB-CB 4.2Å; A88-V96 HydrophobicContact CB-CG2 4.07Å; T94-V96 WeakPolarHBondContact O-CG2 3.45Å; T94-V96 PolarHBondContact O-N 3.43Å
97	A	98.8	Very high	97.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	145.7	177.2	0	0	0	0	0	111	I8 L9 L10 A110 L114	I8-A97 PolarHBondContact O-N 2.76Å; L9-A97 HydrophobicContact CD1-CB 4.47Å; L10-A97 PolarHBondContact N-O 2.88Å; A97-A110 HydrophobicContact CB-CB 3.94Å; A97-A110 WeakPolarHBondContact CB-O 3.32Å; A97-L114 HydrophobicContact CB-CD1 4.08Å; A97-L114 HydrophobicContact CB-CD2 3.83Å; A97-L114 HydrophobicContact CB-CG 3.68Å
98	L	98.8	Very high	97.7	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.6	173.9	174.5	64.3	0	0	0	109.3	L10 M77 R81 Q84 M100 P105 A110	L10-L98 HydrophobicContact CB-CD1 4.01Å; M77-L98 HydrophobicContact SD-CD2 4.45Å; R81-L98 HydrophobicContact CG-CD2 3.97Å; Q84-L98 HydrophobicContact CB-CB 4.39Å; Q84-L98 HydrophobicContact CG-CB 4.22Å; L98-M100 HydrophobicContact CD1-CE 3.99Å; L98-M100 HydrophobicContact CD2-CE 3.78Å; L98-M100 HydrophobicContact CG-CE 3.92Å; L98-P105 WeakPolarHBondContact O-CG 3.27Å; L98-A110 WeakPolarHBondContact O-CB 3Å
99	G	98.7	Very high	97.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.1	175.8	0	0	0	0	0	112.2	L10 A11 N12	L10-G99 PolarHBondContact O-N 3.22Å; A11-G99 WeakPolarHBondContact CA-O 3.48Å; N12-G99 PolarHBondContact N-O 3Å
100	M	98.3	Very high	97.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.4	177.2	-56.6	-53.1	176.3	0	0	110.3	N12 G14 L76 M77 L98 Y102 P105 L107	N12-M100 HydrophobicContact CB-CE 4.45Å; N12-M100 HydrophobicContact CB-SD 3.7Å; N12-M100 CarbonylContact O-C 3.59Å; N12-M100 WeakPolarHBondContact O-CA 2.84Å; G14-M100 VanDerWaalsContact CA-SD 3.56Å; L76-M100 HydrophobicContact CD2-CE 4.09Å; L76-M100 HydrophobicContact CD2-SD 4.24Å; M77-M100 HydrophobicContact CE-CE 3.41Å; M77-M100 VanDerWaalsContact CE-CE 3.41Å; M77-M100 HydrophobicContact CE-CG 4.21Å; M77-M100 HydrophobicContact SD-CE 3.67Å; L98-M100 HydrophobicContact CD1-CE 3.99Å; L98-M100 HydrophobicContact CD2-CE 3.78Å; L98-M100 HydrophobicContact CG-CE 3.92Å; M100-Y102 PolarHBondContact O-N 2.62Å; M100-P105 WeakPolarHBondContact CA-O 3.35Å; M100-P105 WeakPolarHBondContact CB-O 3.41Å; M100-P105 VanDerWaalsContact CG-O 3.3Å; M100-P105 WeakPolarHBondContact CG-O 3.47Å; M100-P105 PolarHBondContact N-O 3.45Å; M100-L107 PolarHBondContact O-N 2.89Å
101	S	97.6	Very high	97.8	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	-39	169.5	-62.3	0	0	0	0	110.7	N12 V139	N12-S101 PolarHBondContact O-N 2.89Å; N12-S101 PolarHBondContact O-OG 3.31Å; S101-V139 WeakPolarHBondContact OG-CG2 3.34Å
102	Y	97.8	Very high	97.8	Very high	6 Å²	6	32.4 Å²	32.4	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.6	179.7	-43.1	-67.7	0	0	0	111.1	L13 G14 Q30 F31 D34 V37 M100 A138	L13-Y102 HydrophobicContact CD1-CD2 3.91Å; L13-Y102 HydrophobicContact CD1-CE2 3.64Å; L13-Y102 HydrophobicContact CG-CD2 4.11Å; L13-Y102 HydrophobicContact CG-CE2 4.35Å; L13-Y102 VanDerWaalsContact O-CD2 3.29Å; L13-Y102 WeakPolarHBondContact O-CD2 3.24Å; L13-Y102 PolarHBondContact O-N 2.8Å; G14-Y102 VanDerWaalsContact CA-O 3.29Å; G14-Y102 WeakPolarHBondContact CA-O 3.29Å; Q30-Y102 HydrophobicContact CG-CD1 3.95Å; F31-Y102 HydrophobicContact CB-CD1 4.46Å; F31-Y102 HydrophobicContact CB-CD2 4.02Å; F31-Y102 HydrophobicContact CB-CE2 4.49Å; F31-Y102 HydrophobicContact CB-CG 4Å; F31-Y102 AromaticContact CD2-CD2 3.47Å; F31-Y102 HydrophobicContact CD2-CD2 3.47Å; F31-Y102 VanDerWaalsContact CD2-CD2 3.47Å; F31-Y102 HydrophobicContact CD2-CE1 4.46Å; F31-Y102 AromaticContact CD2-CE2 3.21Å; F31-Y102 HydrophobicContact CD2-CE2 3.21Å; F31-Y102 HydrophobicContact CD2-CG 4.22Å; F31-Y102 AromaticContact CD2-CZ 3.75Å; F31-Y102 HydrophobicContact CE2-CD2 4.23Å; F31-Y102 AromaticContact CE2-CE2 3.72Å; F31-Y102 HydrophobicContact CE2-CE2 3.72Å; F31-Y102 HydrophobicContact CG-CD2 4.06Å; F31-Y102 HydrophobicContact CG-CE2 4.22Å; D34-Y102 HydrophobicContact CB-CE1 3.87Å; D34-Y102 WeakPolarHBondContact OD2-CE1 3.3Å; D34-Y102 PolarHBondContact OD2-OH 3.39Å; V37-Y102 VanDerWaalsContact CG2-OH 3.32Å; V37-Y102 WeakPolarHBondContact CG2-OH 3.44Å; M100-Y102 PolarHBondContact O-N 2.62Å; Y102-A138 WeakPolarHBondContact OH-CB 3.22Å
103	G	96	Very high	98	Very high	22 Å²	22	31.9 Å²	31.9	23%	0.227	18%	0.182	C	C	.	.	S	Bend	trans	92.4	-151.8	-177.3	0	0	0	0	0	114.2
104	S	95.9	Very high	98.2	Very high	68 Å²	68	23.9 Å²	23.9	48%	0.476	15%	0.145	S	C	.	.	S	Bend	trans	-125.3	141.8	-170.7	-175.8	0	0	0	0	111.6	M77	M77-S104 WeakPolarHBondContact CE-O 3.32Å
105	P	98	Very high	98.1	Very high	31 Å²	31	24.2 Å²	24.2	20%	0.201	15%	0.145	C	C	.	.	S	Bend	cis	-65.2	143.2	-8.5	29.2	-35.3	0	0	0	110.8	L98 M100	L98-P105 WeakPolarHBondContact O-CG 3.27Å; M100-P105 WeakPolarHBondContact CA-O 3.35Å; M100-P105 WeakPolarHBondContact CB-O 3.41Å; M100-P105 VanDerWaalsContact CG-O 3.3Å; M100-P105 WeakPolarHBondContact CG-O 3.47Å; M100-P105 PolarHBondContact N-O 3.45Å
106	S	98.4	Very high	98.1	Very high	40 Å²	40	27.3 Å²	27.3	28%	0.28	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-80.6	158.6	-179.5	68.6	0	0	0	0	111.4	E108 S109 A110	S106-E108 PolarHBondContact O-N 2.59Å; S106-E108 PolarHBondContact OG-N 3.33Å; S106-S109 PolarHBondContact N-OG 3.19Å; S106-S109 PolarHBondContact O-N 2.76Å; S106-S109 VanDerWaalsContact O-N 3.16Å; S106-S109 PolarHBondContact O-OG 2.91Å; S106-S109 PolarHBondContact OG-N 3.23Å; S106-S109 VanDerWaalsContact OG-N 3.1Å; S106-S109 PolarHBondContact OG-OG 3.46Å; S106-A110 PolarHBondContact O-N 3.35Å
107	L	98.6	Very high	98	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-54.3	-33.8	168.4	-71.4	171.7	0	0	0	112	L9 A11 M100 A110 V111 V139 E142 I146	L9-L107 HydrophobicContact CD1-CD2 4.32Å; L9-L107 HydrophobicContact CD2-CD2 4.04Å; L9-L107 HydrophobicContact CG-CD2 4.39Å; A11-L107 HydrophobicContact CB-CD2 3.71Å; M100-L107 PolarHBondContact O-N 2.89Å; L107-A110 PolarHBondContact O-N 3.35Å; L107-V111 WeakPolarHBondContact O-CB 3.41Å; L107-V111 VanDerWaalsContact O-CG2 3.26Å; L107-V111 WeakPolarHBondContact O-CG2 3.31Å; L107-V111 PolarHBondContact O-N 2.96Å; L107-V139 HydrophobicContact CD1-CG1 4.15Å; L107-E142 HydrophobicContact CB-CG 4.12Å; L107-E142 HydrophobicContact CD1-CB 3.92Å; L107-E142 HydrophobicContact CD1-CG 3.7Å; L107-E142 HydrophobicContact CG-CG 4.48Å; L107-I146 HydrophobicContact CB-CD1 3.77Å
108	E	98.4	Very high	97.8	Very high	54 Å²	54	37.3 Å²	37.3	25%	0.252	22%	0.217	S	C	.	.	H	α-helix	trans	-64.1	-48.2	176.2	-175.4	158.5	-160	0	0	111.8	S106 A110 V111 D112 R145 I146 R149	S106-E108 PolarHBondContact O-N 2.59Å; S106-E108 PolarHBondContact OG-N 3.33Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 3.43Å; E108-V111 PolarHBondContact O-N 2.94Å; E108-D112 WeakPolarHBondContact O-CB 3.29Å; E108-D112 VanDerWaalsContact O-CG 3.3Å; E108-D112 PolarHBondContact O-N 3.02Å; E108-R145 IonicContact OE2-NH2 2.84Å; E108-R145 PolarHBondContact OE2-NH2 3.4Å; E108-I146 HydrophobicContact CB-CD1 3.87Å; E108-I146 HydrophobicContact CB-CG1 3.95Å; E108-I146 HydrophobicContact CG-CG1 4.35Å; E108-I146 HydrophobicContact CG-CG2 4.37Å; E108-I146 VanDerWaalsContact N-CD1 3.35Å; E108-R149 IonicContact OE1-CZ 3.52Å; E108-R149 VanDerWaalsContact OE1-CZ 3.27Å; E108-R149 IonicContact OE1-NH1 3.24Å; E108-R149 PolarHBondContact OE1-NH1 2.99Å; E108-R149 IonicContact OE1-NH2 3.12Å; E108-R149 PolarHBondContact OE1-NH2 3.2Å; E108-R149 IonicContact OE2-CZ 3.61Å; E108-R149 IonicContact OE2-NH1 2.59Å; E108-R149 IonicContact OE2-NH2 3.27Å; E108-R149 PolarHBondContact OE2-NH2 2.96Å
109	S	98.5	Very high	97.7	Very high	50 Å²	50	37.3 Å²	37.3	35%	0.35	22%	0.217	S	C	.	.	H	α-helix	trans	-63.2	-37.6	176.6	51.8	0	0	0	0	112.8	S106 D112 E113	S106-S109 PolarHBondContact N-OG 3.19Å; S106-S109 PolarHBondContact O-N 2.76Å; S106-S109 VanDerWaalsContact O-N 3.16Å; S106-S109 PolarHBondContact O-OG 2.91Å; S106-S109 PolarHBondContact OG-N 3.23Å; S106-S109 VanDerWaalsContact OG-N 3.1Å; S106-S109 PolarHBondContact OG-OG 3.46Å; S109-D112 PolarHBondContact O-N 3.21Å; S109-E113 WeakPolarHBondContact O-CB 3.37Å; S109-E113 PolarHBondContact O-N 3.4Å
110	A	98.8	Very high	97.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.4	-38.6	179.5	0	0	0	0	0	112.2	L9 A97 L98 S106 L107 E108 E113 L114	L9-A110 HydrophobicContact CD1-CB 3.43Å; L9-A110 VanDerWaalsContact CD1-CB 3.43Å; A97-A110 HydrophobicContact CB-CB 3.94Å; A97-A110 WeakPolarHBondContact CB-O 3.32Å; L98-A110 WeakPolarHBondContact O-CB 3Å; S106-A110 PolarHBondContact O-N 3.35Å; L107-A110 PolarHBondContact O-N 3.35Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 3.43Å; A110-E113 PolarHBondContact O-N 2.95Å; A110-L114 WeakPolarHBondContact O-CG 3.34Å; A110-L114 PolarHBondContact O-N 2.6Å
111	V	98.7	Very high	97.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-43.8	171.8	168.7	0	0	0	0	110.4	L9 L107 E108 E113 L114 L115 L143 I146 L147	L9-V111 HydrophobicContact CD2-CG2 4Å; L107-V111 WeakPolarHBondContact O-CB 3.41Å; L107-V111 VanDerWaalsContact O-CG2 3.26Å; L107-V111 WeakPolarHBondContact O-CG2 3.31Å; L107-V111 PolarHBondContact O-N 2.96Å; E108-V111 PolarHBondContact O-N 2.94Å; V111-E113 VanDerWaalsContact C-N 3.32Å; V111-E113 PolarHBondContact O-N 2.83Å; V111-L114 PolarHBondContact O-N 3.16Å; V111-L115 HydrophobicContact CG1-CD1 3.85Å; V111-L115 HydrophobicContact CG1-CG 4.21Å; V111-L115 VanDerWaalsContact O-CG 3.27Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.48Å; V111-L143 HydrophobicContact CG2-CD2 3.69Å; V111-I146 HydrophobicContact CB-CG2 4.32Å; V111-I146 HydrophobicContact CG1-CG2 4.14Å; V111-L147 HydrophobicContact CG1-CD2 4.24Å
112	D	98.1	Very high	97.7	Very high	63 Å²	63	42.6 Å²	42.6	34%	0.337	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-36.9	179.1	-73.8	-14.1	0	0	0	112.4	E108 S109 L115 A116 K150	E108-D112 WeakPolarHBondContact O-CB 3.29Å; E108-D112 VanDerWaalsContact O-CG 3.3Å; E108-D112 PolarHBondContact O-N 3.02Å; S109-D112 PolarHBondContact O-N 3.21Å; D112-L115 PolarHBondContact O-N 3.27Å; D112-A116 WeakPolarHBondContact O-CB 3.19Å; D112-A116 PolarHBondContact O-N 2.98Å; D112-K150 VanDerWaalsContact OD1-CE 3.3Å; D112-K150 WeakPolarHBondContact OD1-CE 3.46Å; D112-K150 IonicContact OD1-NZ 2.65Å; D112-K150 PolarHBondContact OD1-NZ 3.24Å; D112-K150 IonicContact OD2-NZ 3.27Å
113	E	98.3	Very high	97.8	Very high	93 Å²	93	44.1 Å²	44.1	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-58.7	-51	172.3	-175.6	179.5	162.6	0	0	111.5	S109 A110 V111 L115 A116 E117	S109-E113 WeakPolarHBondContact O-CB 3.37Å; S109-E113 PolarHBondContact O-N 3.4Å; A110-E113 PolarHBondContact O-N 2.95Å; V111-E113 VanDerWaalsContact C-N 3.32Å; V111-E113 PolarHBondContact O-N 2.83Å; E113-L115 PolarHBondContact O-N 3.12Å; E113-A116 WeakPolarHBondContact O-CB 3.33Å; E113-A116 PolarHBondContact O-N 3.25Å; E113-E117 PolarHBondContact O-N 2.9Å
114	L	98.6	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-41.4	177.9	-65.6	175.1	0	0	0	112.1	L9 P95 A97 A110 V111 E117 V119 I122	L9-L114 HydrophobicContact CB-CD1 4Å; P95-L114 HydrophobicContact CB-CD2 3.63Å; A97-L114 HydrophobicContact CB-CD1 4.08Å; A97-L114 HydrophobicContact CB-CD2 3.83Å; A97-L114 HydrophobicContact CB-CG 3.68Å; A110-L114 WeakPolarHBondContact O-CG 3.34Å; A110-L114 PolarHBondContact O-N 2.6Å; V111-L114 PolarHBondContact O-N 3.16Å; L114-E117 WeakPolarHBondContact O-CB 3.46Å; L114-E117 PolarHBondContact O-N 3.4Å; L114-V119 HydrophobicContact CB-CB 4.26Å; L114-V119 HydrophobicContact CB-CG2 4.22Å; L114-V119 HydrophobicContact CD2-CG2 4.43Å; L114-V119 VanDerWaalsContact O-CB 3.23Å; L114-V119 WeakPolarHBondContact O-CB 3.45Å; L114-V119 VanDerWaalsContact O-CG2 3.24Å; L114-V119 WeakPolarHBondContact O-CG2 3.41Å; L114-V119 PolarHBondContact O-N 3.32Å; L114-I122 HydrophobicContact CB-CD1 4.33Å; L114-I122 HydrophobicContact CD1-CD1 4.04Å; L114-I122 HydrophobicContact CD1-CG1 4.12Å; L114-I122 HydrophobicContact CD1-CG2 3.88Å
115	L	97.3	Very high	98	Very high	45 Å²	45	41.8 Å²	41.8	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-35.5	178.8	-68.1	179.3	0	0	0	112.4	V111 D112 E113 E117 H118 P154	V111-L115 HydrophobicContact CG1-CD1 3.85Å; V111-L115 HydrophobicContact CG1-CG 4.21Å; V111-L115 VanDerWaalsContact O-CG 3.27Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.48Å; D112-L115 PolarHBondContact O-N 3.27Å; E113-L115 PolarHBondContact O-N 3.12Å; L115-E117 PolarHBondContact O-N 3.23Å; L115-H118 PolarHBondContact O-N 2.96Å; L115-P154 HydrophobicContact CD2-CB 4.44Å; L115-P154 HydrophobicContact CD2-CG 3.98Å
116	A	97	Very high	98.1	Very high	76 Å²	76	40.4 Å²	40.4	63%	0.628	22%	0.221	S	C	*	.	H	α-helix	trans	-62.4	-28.2	174.5	0	0	0	0	0	111.9	D112 E113 H118	D112-A116 WeakPolarHBondContact O-CB 3.19Å; D112-A116 PolarHBondContact O-N 2.98Å; E113-A116 WeakPolarHBondContact O-CB 3.33Å; E113-A116 PolarHBondContact O-N 3.25Å; A116-H118 PolarHBondContact O-N 3.46Å
117	E	96.5	Very high	98	Very high	80 Å²	80	39.1 Å²	39.1	37%	0.374	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	9.6	173.3	-72.6	-155.1	-113.5	0	0	114.7	K5 P95 E113 L114 L115 V119	K5-E117 WeakPolarHBondContact CD-O 3.46Å; K5-E117 WeakPolarHBondContact CE-O 3.41Å; K5-E117 PolarHBondContact NZ-O 2.87Å; K5-E117 IonicContact NZ-OE2 3.43Å; P95-E117 WeakPolarHBondContact CB-OE1 3.36Å; P95-E117 HydrophobicContact CG-CB 4.2Å; P95-E117 VanDerWaalsContact CG-OE2 3.31Å; P95-E117 WeakPolarHBondContact CG-OE2 3.34Å; E113-E117 PolarHBondContact O-N 2.9Å; L114-E117 WeakPolarHBondContact O-CB 3.46Å; L114-E117 PolarHBondContact O-N 3.4Å; L115-E117 PolarHBondContact O-N 3.23Å; E117-V119 VanDerWaalsContact C-N 3.27Å; E117-V119 HydrophobicContact CB-CG2 4.43Å; E117-V119 PolarHBondContact O-N 2.9Å
118	H	95.4	Very high	97.8	Very high	141 Å²	141	40.1 Å²	40.1	65%	0.653	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	34.8	-177.4	-49.2	-55	0	0	0	113.4	L115 A116 D120	L115-H118 PolarHBondContact O-N 2.96Å; A116-H118 PolarHBondContact O-N 3.46Å; H118-D120 PolarHBondContact O-N 3.31Å
119	V	97.7	Very high	97.8	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.03	20%	0.203	C	C	.	.			trans	-68	123.3	169.9	170.6	0	0	0	0	109.4	K5 G7 P95 L114 E117 H121 I122	K5-V119 HydrophobicContact CG-CG2 4.43Å; G7-V119 VanDerWaalsContact N-CG1 3.32Å; P95-V119 HydrophobicContact CB-CG2 4.19Å; P95-V119 HydrophobicContact CG-CG2 3.94Å; L114-V119 HydrophobicContact CB-CB 4.26Å; L114-V119 HydrophobicContact CB-CG2 4.22Å; L114-V119 HydrophobicContact CD2-CG2 4.43Å; L114-V119 VanDerWaalsContact O-CB 3.23Å; L114-V119 WeakPolarHBondContact O-CB 3.45Å; L114-V119 VanDerWaalsContact O-CG2 3.24Å; L114-V119 WeakPolarHBondContact O-CG2 3.41Å; L114-V119 PolarHBondContact O-N 3.32Å; E117-V119 VanDerWaalsContact C-N 3.27Å; E117-V119 HydrophobicContact CB-CG2 4.43Å; E117-V119 PolarHBondContact O-N 2.9Å; V119-H121 WeakPolarHBondContact CG1-O 3.41Å; V119-I122 HydrophobicContact CG1-CG1 3.78Å
120	D	97	Very high	97.8	Very high	71 Å²	71	35.2 Å²	35.2	38%	0.38	19%	0.187	S	C	.	.	S	Bend	trans	-95.7	-15.9	178	-62.6	-54.9	0	0	0	112	T4 K5 H118 P154 G155	T4-D120 HydrophobicContact CG2-CB 4.03Å; K5-D120 PolarHBondContact O-N 3.39Å; H118-D120 PolarHBondContact O-N 3.31Å; D120-P154 CarbonylContact O-C 3.51Å; D120-P154 VanDerWaalsContact O-CA 3.27Å; D120-P154 WeakPolarHBondContact O-CA 3.46Å; D120-P154 VanDerWaalsContact O-CB 3.24Å; D120-P154 WeakPolarHBondContact O-CB 3.14Å; D120-G155 PolarHBondContact O-N 2.76Å
121	H	98.6	Very high	97.7	Very high	46 Å²	46	37.5 Å²	37.5	21%	0.213	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	126.5	178.5	-167.6	98.1	0	0	0	112.1	T4 K5 T6 G7 V119 G155 S157	T4-H121 HydrophobicContact CG2-CB 3.64Å; K5-H121 PolarHBondContact O-N 3.41Å; K5-H121 VanDerWaalsContact O-N 3.13Å; T6-H121 CarbonylContact C-O 3.2Å; T6-H121 WeakPolarHBondContact CA-O 3.1Å; G7-H121 PolarHBondContact N-O 2.96Å; V119-H121 WeakPolarHBondContact CG1-O 3.41Å; H121-G155 CarbonylContact C-O 3.48Å; H121-G155 VanDerWaalsContact CA-O 3.25Å; H121-G155 WeakPolarHBondContact CA-O 3.32Å; H121-S157 PolarHBondContact CE1-OG 2.93Å; H121-S157 PolarHBondContact NE2-OG 3.47Å
122	I	98.8	Very high	97.7	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.6	179.4	-57.8	175.4	0	0	0	109.8	G7 L9 L114 V119 V124 P154 G155 I156 S157	G7-I122 WeakPolarHBondContact O-CA 3.34Å; L9-I122 HydrophobicContact CB-CG2 3.73Å; L114-I122 HydrophobicContact CB-CD1 4.33Å; L114-I122 HydrophobicContact CD1-CD1 4.04Å; L114-I122 HydrophobicContact CD1-CG1 4.12Å; L114-I122 HydrophobicContact CD1-CG2 3.88Å; V119-I122 HydrophobicContact CG1-CG1 3.78Å; I122-V124 HydrophobicContact CG2-CG2 4.01Å; I122-P154 HydrophobicContact CD1-CG 3.68Å; I122-P154 HydrophobicContact CG1-CB 4.31Å; I122-P154 HydrophobicContact CG1-CG 3.97Å; I122-G155 PolarHBondContact N-O 2.89Å; I122-I156 HydrophobicContact CB-CD1 3.88Å; I122-I156 HydrophobicContact CD1-CD1 4.47Å; I122-I156 HydrophobicContact CG1-CD1 4.49Å; I122-I156 WeakPolarHBondContact O-CA 3.47Å; I122-S157 PolarHBondContact O-N 3.29Å
123	V	98.8	Very high	97.7	Very high	37 Å²	37	35.7 Å²	35.7	22%	0.224	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	116	164.4	-178.8	0	0	0	0	108.1	T6 G7 I8 L9 S157 I159	T6-V123 HydrophobicContact CG2-CG2 3.81Å; G7-V123 PolarHBondContact O-N 3.47Å; I8-V123 CarbonylContact C-O 3.24Å; I8-V123 WeakPolarHBondContact CA-O 3.37Å; I8-V123 HydrophobicContact CG1-CB 4.49Å; L9-V123 PolarHBondContact N-O 3.38Å; V123-S157 CarbonylContact C-O 3.54Å; V123-S157 WeakPolarHBondContact CA-O 3.42Å; V123-I159 HydrophobicContact CG1-CD1 3.82Å; V123-I159 HydrophobicContact CG1-CG1 4.29Å
124	V	98.9	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.6	177.6	-174	0	0	0	0	108.3	L9 A11 I122 P126 V139 L143 I156 S157 F158 I159	L9-V124 HydrophobicContact CB-CG2 4.47Å; L9-V124 HydrophobicContact CD2-CG1 4.34Å; L9-V124 HydrophobicContact CD2-CG2 4.32Å; A11-V124 HydrophobicContact CB-CG1 4.37Å; I122-V124 HydrophobicContact CG2-CG2 4.01Å; V124-P126 WeakPolarHBondContact O-CD 3.45Å; V124-V139 HydrophobicContact CG1-CG1 4.18Å; V124-L143 HydrophobicContact CB-CD1 4.28Å; V124-L143 HydrophobicContact CG1-CD1 3.76Å; V124-L143 HydrophobicContact CG2-CD1 3.66Å; V124-I156 HydrophobicContact CG2-CG2 4.16Å; V124-S157 PolarHBondContact N-O 3.39Å; V124-F158 HydrophobicContact CB-CD2 3.69Å; V124-F158 HydrophobicContact CB-CE2 4.19Å; V124-F158 HydrophobicContact CB-CG 4.47Å; V124-F158 HydrophobicContact CG1-CD2 3.79Å; V124-F158 HydrophobicContact CG1-CE2 3.73Å; V124-F158 HydrophobicContact CG2-CD2 4.07Å; V124-I159 WeakPolarHBondContact O-CB 3.36Å; V124-I159 WeakPolarHBondContact O-CG1 3.4Å; V124-I159 PolarHBondContact O-N 3.41Å
125	L	98.6	Very high	97.4	Very high	42 Å²	42	33.3 Å²	33.3	22%	0.22	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	97.9	174.8	178.7	62.8	0	0	0	109	L9 L10 A11 I159 Y162	L9-L125 PolarHBondContact O-N 3.06Å; L10-L125 WeakPolarHBondContact CA-O 3.38Å; L10-L125 HydrophobicContact CD2-CB 4.1Å; L10-L125 HydrophobicContact CD2-CD2 3.83Å; L10-L125 HydrophobicContact CD2-CG 4.29Å; A11-L125 PolarHBondContact N-O 3.31Å; L125-I159 HydrophobicContact CB-CD1 4.23Å; L125-I159 HydrophobicContact CD1-CB 4.39Å; L125-I159 HydrophobicContact CD1-CD1 3.78Å; L125-I159 HydrophobicContact CD1-CG2 4.2Å; L125-Y162 HydrophobicContact CD1-CD1 3.87Å; L125-Y162 HydrophobicContact CD1-CE1 3.5Å; L125-Y162 VanDerWaalsContact CD1-CE1 3.5Å
126	P	98.4	Very high	97.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.013	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	133.5	168.9	-18.7	32.1	0	0	0	110.3	A11 V124 Y128 V136 F158 I159 Y162	A11-P126 CarbonylContact O-C 3.5Å; A11-P126 VanDerWaalsContact O-CA 3.29Å; A11-P126 WeakPolarHBondContact O-CA 3.23Å; V124-P126 WeakPolarHBondContact O-CD 3.45Å; P126-Y128 HydrophobicContact CB-CD2 3.77Å; P126-Y128 HydrophobicContact CB-CE2 4.32Å; P126-Y128 PolarHBondContact O-N 3.15Å; P126-V136 HydrophobicContact CB-CG2 4.06Å; P126-V136 HydrophobicContact CG-CG1 4.2Å; P126-V136 HydrophobicContact CG-CG2 4.31Å; P126-F158 HydrophobicContact CG-CZ 4.12Å; P126-I159 WeakPolarHBondContact CD-O 3.47Å; P126-I159 WeakPolarHBondContact CG-O 3.39Å; P126-Y162 VanDerWaalsContact O-CE1 3.29Å; P126-Y162 WeakPolarHBondContact O-CE1 3.41Å; P126-Y162 PolarHBondContact O-OH 3.23Å
127	L	97.4	Very high	97.5	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.063	14%	0.141	C	C	.	.	S	Bend	trans	-81.7	37.5	177.6	-66.6	-175.1	0	0	0	112.3	L10 A11 N12 A270	L10-L127 HydrophobicContact CB-CD1 4.45Å; L10-L127 HydrophobicContact CD2-CD2 4.44Å; A11-L127 PolarHBondContact O-N 3.13Å; N12-L127 HydrophobicContact CB-CB 4.18Å; N12-L127 HydrophobicContact CB-CD1 4.09Å; L127-A270 HydrophobicContact CB-CB 4.04Å; L127-A270 HydrophobicContact CD2-CB 4.28Å; L127-A270 WeakPolarHBondContact O-CB 3.43Å
128	Y	94.9	Very high	97.6	Very high	22 Å²	22	24.1 Å²	24.1	9%	0.086	12%	0.124	C	C	.	.			trans	-127.6	107.2	172.7	-37.5	-85.3	0	0	0	108	N12 L13 P126 Q130 T135 V136 V139	N12-Y128 VanDerWaalsContact C-OH 3.29Å; L13-Y128 WeakPolarHBondContact CA-OH 3.3Å; L13-Y128 HydrophobicContact CB-CE1 3.99Å; L13-Y128 WeakPolarHBondContact CB-OH 3.37Å; L13-Y128 HydrophobicContact CD1-CE1 4.37Å; L13-Y128 VanDerWaalsContact CD1-OH 3.29Å; L13-Y128 WeakPolarHBondContact CD1-OH 3.43Å; L13-Y128 PolarHBondContact N-OH 3.47Å; P126-Y128 HydrophobicContact CB-CD2 3.77Å; P126-Y128 HydrophobicContact CB-CE2 4.32Å; P126-Y128 PolarHBondContact O-N 3.15Å; Y128-Q130 VanDerWaalsContact C-N 3.27Å; Y128-Q130 PolarHBondContact O-N 2.92Å; Y128-T135 HydrophobicContact CD1-CG2 4.08Å; Y128-T135 HydrophobicContact CE1-CG2 4.02Å; Y128-T135 HydrophobicContact CG-CG2 4.4Å; Y128-V136 HydrophobicContact CD2-CG2 4.3Å; Y128-V139 HydrophobicContact CE2-CG2 4.17Å
129	P	97	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-67.4	-25.4	-172	-23.1	34.8	0	0	0	114.5	D161 Y162 A163 Y168	P129-D161 WeakPolarHBondContact O-CB 3.47Å; P129-Y162 HydrophobicContact CB-CD2 3.81Å; P129-Y162 HydrophobicContact CB-CE2 3.42Å; P129-Y162 VanDerWaalsContact CB-CE2 3.42Å; P129-Y162 HydrophobicContact CG-CD2 4.44Å; P129-Y162 HydrophobicContact CG-CE2 3.59Å; P129-Y162 CarbonylContact O-C 3.35Å; P129-Y162 PolarHBondContact O-N 3.35Å; P129-A163 WeakPolarHBondContact O-CA 3.37Å; P129-A163 PolarHBondContact O-N 3.16Å; P129-Y168 HydrophobicContact CB-CD1 4.19Å; P129-Y168 HydrophobicContact CB-CD2 4.46Å; P129-Y168 HydrophobicContact CB-CE1 3.55Å; P129-Y168 HydrophobicContact CB-CE2 3.88Å; P129-Y168 HydrophobicContact CG-CD2 4.46Å; P129-Y168 HydrophobicContact CG-CE1 4.19Å; P129-Y168 HydrophobicContact CG-CE2 3.64Å; P129-Y168 VanDerWaalsContact CG-CZ 3.48Å; P129-Y168 WeakPolarHBondContact CG-OH 3.27Å
130	Q	98.3	Very high	97.8	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.009	12%	0.115	C	C	.	.	S	Bend	trans	-106.6	127.7	176.7	-62.3	74	31.9	0	0	110	Y128 S132 A163 Y193 Y207 R210 T214 P267	Y128-Q130 VanDerWaalsContact C-N 3.27Å; Y128-Q130 PolarHBondContact O-N 2.92Å; Q130-S132 PolarHBondContact O-N 3.21Å; Q130-A163 HydrophobicContact CG-CB 3.9Å; Q130-Y193 HydrophobicContact CG-CE1 4.45Å; Q130-Y207 HydrophobicContact CB-CD2 3.77Å; Q130-Y207 HydrophobicContact CB-CE2 3.71Å; Q130-R210 HydrophobicContact CB-CB 3.8Å; Q130-R210 HydrophobicContact CG-CB 3.94Å; Q130-T214 PolarHBondContact NE2-OG1 2.91Å; Q130-P267 PolarHBondContact OE1-O 3.1Å
131	Y	98.3	Very high	97.8	Very high	47 Å²	47	22.9 Å²	22.9	18%	0.184	11%	0.113	C	C	.	.			trans	-58.9	134.2	175	174.4	-89	0	0	0	110.7	V136 R160 D206 Y207	Y131-V136 HydrophobicContact CD2-CB 3.66Å; Y131-V136 HydrophobicContact CD2-CG1 3.67Å; Y131-V136 HydrophobicContact CD2-CG2 4.33Å; Y131-V136 HydrophobicContact CE2-CB 4.04Å; Y131-V136 HydrophobicContact CE2-CG1 3.98Å; Y131-R160 VanDerWaalsContact CD1-NH2 3.31Å; Y131-R160 HydrophobicContact CD2-CG 3.65Å; Y131-R160 HydrophobicContact CE2-CG 4.38Å; Y131-R160 HydrophobicContact CG-CG 4.18Å; Y131-D206 WeakPolarHBondContact CD1-OD1 3.25Å; Y131-Y207 VanDerWaalsContact O-CA 3.26Å; Y131-Y207 WeakPolarHBondContact O-CA 3.36Å; Y131-Y207 VanDerWaalsContact O-CB 3.24Å; Y131-Y207 WeakPolarHBondContact O-CB 3.45Å; Y131-Y207 VanDerWaalsContact O-CD2 3.31Å; Y131-Y207 WeakPolarHBondContact O-CD2 3.35Å
132	S	98.2	Very high	97.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	11%	0.112	C	C	.	.			trans	-136.4	151.3	155.5	172.2	0	0	0	0	109	Q130 S134 T135 V136 G137 D205	Q130-S132 PolarHBondContact O-N 3.21Å; S132-S134 PolarHBondContact O-N 3Å; S132-S134 PolarHBondContact OG-N 3.12Å; S132-S134 VanDerWaalsContact OG-N 3.13Å; S132-S134 PolarHBondContact OG-OG 2.65Å; S132-T135 PolarHBondContact O-N 3.24Å; S132-V136 PolarHBondContact O-N 3.09Å; S132-V136 VanDerWaalsContact O-N 3.09Å; S132-G137 PolarHBondContact O-N 3.13Å; S132-G137 VanDerWaalsContact O-N 3.15Å; S132-D205 WeakPolarHBondContact CA-OD1 3.23Å; S132-D205 WeakPolarHBondContact CA-OD2 3.5Å; S132-D205 WeakPolarHBondContact CB-OD2 3.16Å; S132-D205 PolarHBondContact OG-OD2 3.35Å
133	C	97	Very high	97.8	Very high	25 Å²	25	22.9 Å²	22.9	17%	0.169	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.3	170.9	77.5	0	0	0	0	111.5	R36 G137 A138 D205	R36-C133 WeakPolarHBondContact CD-O 3.49Å; C133-G137 VanDerWaalsContact O-CA 3.3Å; C133-G137 WeakPolarHBondContact O-CA 3.36Å; C133-A138 PolarHBondContact O-N 2.74Å; C133-D205 PolarHBondContact N-OD2 3.13Å; C133-D205 PolarHBondContact SG-OD2 2.74Å
134	S	95.7	Very high	97.8	Very high	17 Å²	17	23.3 Å²	23.3	12%	0.119	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.2	-177	67.1	0	0	0	0	114.8	R36 S132	R36-S134 VanDerWaalsContact O-CA 3.25Å; R36-S134 WeakPolarHBondContact O-CA 3.5Å; R36-S134 VanDerWaalsContact O-CB 3.23Å; R36-S134 WeakPolarHBondContact O-CB 3.36Å; S132-S134 PolarHBondContact O-N 3Å; S132-S134 PolarHBondContact OG-N 3.12Å; S132-S134 VanDerWaalsContact OG-N 3.13Å; S132-S134 PolarHBondContact OG-OG 2.65Å
135	T	96.4	Very high	97.7	Very high	27 Å²	27	28.3 Å²	28.3	17%	0.166	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-74.5	-179.7	53.9	0	0	0	0	110.9	Y128 S132 G137 A138 V139	Y128-T135 HydrophobicContact CD1-CG2 4.08Å; Y128-T135 HydrophobicContact CE1-CG2 4.02Å; Y128-T135 HydrophobicContact CG-CG2 4.4Å; S132-T135 PolarHBondContact O-N 3.24Å; T135-G137 VanDerWaalsContact C-N 3.32Å; T135-G137 PolarHBondContact O-N 3.28Å; T135-A138 WeakPolarHBondContact O-CB 3.41Å; T135-A138 PolarHBondContact O-N 3.15Å; T135-A138 VanDerWaalsContact O-N 3.08Å; T135-V139 PolarHBondContact O-N 3Å
136	V	98.2	Very high	97.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-40.6	-179.4	177.5	0	0	0	0	111	P126 Y128 Y131 S132 A138 V139 W140 F158 R160	P126-V136 HydrophobicContact CB-CG2 4.06Å; P126-V136 HydrophobicContact CG-CG1 4.2Å; P126-V136 HydrophobicContact CG-CG2 4.31Å; Y128-V136 HydrophobicContact CD2-CG2 4.3Å; Y131-V136 HydrophobicContact CD2-CB 3.66Å; Y131-V136 HydrophobicContact CD2-CG1 3.67Å; Y131-V136 HydrophobicContact CD2-CG2 4.33Å; Y131-V136 HydrophobicContact CE2-CB 4.04Å; Y131-V136 HydrophobicContact CE2-CG1 3.98Å; S132-V136 PolarHBondContact O-N 3.09Å; S132-V136 VanDerWaalsContact O-N 3.09Å; V136-A138 VanDerWaalsContact C-N 3.29Å; V136-A138 PolarHBondContact O-N 3.32Å; V136-V139 PolarHBondContact O-N 3.03Å; V136-W140 PolarHBondContact O-N 3.27Å; V136-F158 HydrophobicContact CG1-CE1 3.4Å; V136-F158 HydrophobicContact CG1-CZ 3.67Å; V136-R160 WeakPolarHBondContact CG1-O 3.33Å
137	G	97.8	Very high	97.7	Very high	4 Å²	4	27.1 Å²	27.1	4%	0.041	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-37.5	173.6	0	0	0	0	0	112.9	S132 C133 T135 W140 D141	S132-G137 PolarHBondContact O-N 3.13Å; S132-G137 VanDerWaalsContact O-N 3.15Å; C133-G137 VanDerWaalsContact O-CA 3.3Å; C133-G137 WeakPolarHBondContact O-CA 3.36Å; T135-G137 VanDerWaalsContact C-N 3.32Å; T135-G137 PolarHBondContact O-N 3.28Å; G137-W140 PolarHBondContact O-N 3.5Å; G137-D141 PolarHBondContact O-N 3.49Å
138	A	97.9	Very high	97.7	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-68	-38.9	175.7	0	0	0	0	0	112.5	R36 Y102 C133 T135 V136 W140 D141 E142	R36-A138 HydrophobicContact CB-CB 3.91Å; R36-A138 HydrophobicContact CG-CB 4.12Å; Y102-A138 WeakPolarHBondContact OH-CB 3.22Å; C133-A138 PolarHBondContact O-N 2.74Å; T135-A138 WeakPolarHBondContact O-CB 3.41Å; T135-A138 PolarHBondContact O-N 3.15Å; T135-A138 VanDerWaalsContact O-N 3.08Å; V136-A138 VanDerWaalsContact C-N 3.29Å; V136-A138 PolarHBondContact O-N 3.32Å; A138-W140 VanDerWaalsContact C-N 3.32Å; A138-W140 PolarHBondContact O-N 2.89Å; A138-D141 PolarHBondContact O-N 3.47Å; A138-E142 WeakPolarHBondContact O-CB 3.18Å; A138-E142 PolarHBondContact O-N 3.41Å
139	V	98.6	Very high	97.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.6	-45	172.7	178.7	0	0	0	0	110.4	A11 S101 L107 V124 Y128 T135 V136 E142 L143 F158	A11-V139 HydrophobicContact CB-CG1 3.6Å; A11-V139 HydrophobicContact CB-CG2 4.07Å; S101-V139 WeakPolarHBondContact OG-CG2 3.34Å; L107-V139 HydrophobicContact CD1-CG1 4.15Å; V124-V139 HydrophobicContact CG1-CG1 4.18Å; Y128-V139 HydrophobicContact CE2-CG2 4.17Å; T135-V139 PolarHBondContact O-N 3Å; V136-V139 PolarHBondContact O-N 3.03Å; V139-E142 PolarHBondContact O-N 3.21Å; V139-L143 HydrophobicContact CG1-CD1 4.05Å; V139-L143 HydrophobicContact CG1-CG 4.42Å; V139-L143 WeakPolarHBondContact O-CB 3.47Å; V139-L143 WeakPolarHBondContact O-CG 3.5Å; V139-L143 PolarHBondContact O-N 3.49Å; V139-F158 HydrophobicContact CB-CE2 4.45Å; V139-F158 HydrophobicContact CB-CZ 4.33Å; V139-F158 HydrophobicContact CG1-CE2 3.91Å; V139-F158 HydrophobicContact CG1-CZ 4.25Å
140	W	98.4	Very high	97.7	Very high	129 Å²	129	38.2 Å²	38.2	49%	0.489	19%	0.193	S	C	.	.	H	α-helix	trans	-61.5	-47.6	178	178.4	-97.4	0	0	0	112.4	V136 G137 A138 E142 L143 A144 F158	V136-W140 PolarHBondContact O-N 3.27Å; G137-W140 PolarHBondContact O-N 3.5Å; A138-W140 VanDerWaalsContact C-N 3.32Å; A138-W140 PolarHBondContact O-N 2.89Å; W140-E142 VanDerWaalsContact C-N 3.3Å; W140-E142 PolarHBondContact O-N 3.23Å; W140-L143 PolarHBondContact O-N 3.46Å; W140-A144 WeakPolarHBondContact O-CB 3.43Å; W140-A144 PolarHBondContact O-N 3.36Å; W140-F158 HydrophobicContact CB-CE2 4.32Å; W140-F158 HydrophobicContact CB-CZ 4.04Å; W140-F158 HydrophobicContact CE3-CB 4.22Å; W140-F158 HydrophobicContact CE3-CD1 4.19Å; W140-F158 AromaticContact CE3-CD2 3.66Å; W140-F158 HydrophobicContact CE3-CD2 3.66Å; W140-F158 HydrophobicContact CE3-CE1 4.48Å; W140-F158 AromaticContact CE3-CE2 3.99Å; W140-F158 HydrophobicContact CE3-CE2 3.99Å; W140-F158 AromaticContact CE3-CG 3.76Å; W140-F158 HydrophobicContact CE3-CG 3.76Å; W140-F158 HydrophobicContact CE3-CZ 4.39Å; W140-F158 HydrophobicContact CZ3-CB 3.96Å; W140-F158 HydrophobicContact CZ3-CD2 4.11Å; W140-F158 HydrophobicContact CZ3-CG 4.01Å
141	D	98.4	Very high	97.5	Very high	63 Å²	63	50.6 Å²	50.6	34%	0.337	24%	0.24	S	C	.	.	H	α-helix	trans	-58.8	-43.2	179.3	-73.8	2	0	0	0	111.4	R36 G137 A138 A144 R145	R36-D141 WeakPolarHBondContact CG-OD2 3.29Å; R36-D141 IonicContact CZ-OD1 3.52Å; R36-D141 IonicContact CZ-OD2 2.74Å; R36-D141 IonicContact NE-OD1 2.74Å; R36-D141 IonicContact NE-OD2 3.44Å; R36-D141 PolarHBondContact NE-OD2 3.32Å; R36-D141 IonicContact NH2-OD1 3.68Å; R36-D141 PolarHBondContact NH2-OD1 3.07Å; R36-D141 IonicContact NH2-OD2 3.56Å; R36-D141 PolarHBondContact NH2-OD2 3.41Å; G137-D141 PolarHBondContact O-N 3.49Å; A138-D141 PolarHBondContact O-N 3.47Å; D141-A144 PolarHBondContact O-N 2.89Å; D141-R145 WeakPolarHBondContact O-CB 3.22Å; D141-R145 PolarHBondContact O-N 3.14Å
142	E	98.4	Very high	97.3	Very high	42 Å²	42	53.2 Å²	53.2	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-42.2	179.5	-178.7	58.5	-172.4	0	0	111.9	L107 A138 V139 W140 A144 R145 I146	L107-E142 HydrophobicContact CB-CG 4.12Å; L107-E142 HydrophobicContact CD1-CB 3.92Å; L107-E142 HydrophobicContact CD1-CG 3.7Å; L107-E142 HydrophobicContact CG-CG 4.48Å; A138-E142 WeakPolarHBondContact O-CB 3.18Å; A138-E142 PolarHBondContact O-N 3.41Å; V139-E142 PolarHBondContact O-N 3.21Å; W140-E142 VanDerWaalsContact C-N 3.3Å; W140-E142 PolarHBondContact O-N 3.23Å; E142-A144 PolarHBondContact O-N 2.74Å; E142-R145 WeakPolarHBondContact O-CB 3.15Å; E142-R145 PolarHBondContact O-N 3.06Å; E142-R145 IonicContact OE1-CZ 2.76Å; E142-R145 IonicContact OE1-NE 3.44Å; E142-R145 PolarHBondContact OE1-NE 3.31Å; E142-R145 IonicContact OE1-NH2 3.64Å; E142-R145 PolarHBondContact OE1-NH2 2.88Å; E142-R145 IonicContact OE2-CZ 3.72Å; E142-R145 IonicContact OE2-NE 3.55Å; E142-R145 PolarHBondContact OE2-NE 2.87Å; E142-R145 IonicContact OE2-NH2 3.32Å; E142-I146 HydrophobicContact CG-CD1 3.89Å; E142-I146 WeakPolarHBondContact O-CD1 3.23Å; E142-I146 VanDerWaalsContact O-CG1 3.23Å; E142-I146 WeakPolarHBondContact O-CG1 3.32Å; E142-I146 PolarHBondContact O-N 3.49Å
143	L	98.4	Very high	97.1	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-44.5	173.7	-76.3	177.6	0	0	0	112.2	L9 V111 V124 V139 W140 R145 I146 L147 F158	L9-L143 HydrophobicContact CD2-CD1 4.35Å; L9-L143 HydrophobicContact CD2-CD2 3.68Å; V111-L143 HydrophobicContact CG2-CD2 3.69Å; V124-L143 HydrophobicContact CB-CD1 4.28Å; V124-L143 HydrophobicContact CG1-CD1 3.76Å; V124-L143 HydrophobicContact CG2-CD1 3.66Å; V139-L143 HydrophobicContact CG1-CD1 4.05Å; V139-L143 HydrophobicContact CG1-CG 4.42Å; V139-L143 WeakPolarHBondContact O-CB 3.47Å; V139-L143 WeakPolarHBondContact O-CG 3.5Å; V139-L143 PolarHBondContact O-N 3.49Å; W140-L143 PolarHBondContact O-N 3.46Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 2.86Å; L143-I146 PolarHBondContact O-N 3.25Å; L143-L147 WeakPolarHBondContact O-CB 3.3Å; L143-L147 VanDerWaalsContact O-CG 3.28Å; L143-L147 WeakPolarHBondContact O-CG 3.25Å; L143-L147 PolarHBondContact O-N 3.47Å; L143-F158 HydrophobicContact CD1-CD2 4.11Å; L143-F158 HydrophobicContact CD1-CE2 3.93Å
144	A	98.2	Very high	97.1	Very high	46 Å²	46	57.1 Å²	57.1	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-43.2	176	0	0	0	0	0	111.1	W140 D141 E142 I146 L147 A148	W140-A144 WeakPolarHBondContact O-CB 3.43Å; W140-A144 PolarHBondContact O-N 3.36Å; D141-A144 PolarHBondContact O-N 2.89Å; E142-A144 PolarHBondContact O-N 2.74Å; A144-I146 PolarHBondContact O-N 3.19Å; A144-L147 PolarHBondContact O-N 3.38Å; A144-A148 WeakPolarHBondContact O-CB 3.21Å; A144-A148 PolarHBondContact O-N 2.87Å
145	R	98.2	Very high	97.2	Very high	106 Å²	106	57.8 Å²	57.8	40%	0.4	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-40.2	175.7	-170.6	-165.3	70.8	73.8	3.8	112.5	E108 D141 E142 L143 R149	E108-R145 IonicContact OE2-NH2 2.84Å; E108-R145 PolarHBondContact OE2-NH2 3.4Å; D141-R145 WeakPolarHBondContact O-CB 3.22Å; D141-R145 PolarHBondContact O-N 3.14Å; E142-R145 WeakPolarHBondContact O-CB 3.15Å; E142-R145 PolarHBondContact O-N 3.06Å; E142-R145 IonicContact OE1-CZ 2.76Å; E142-R145 IonicContact OE1-NE 3.44Å; E142-R145 PolarHBondContact OE1-NE 3.31Å; E142-R145 IonicContact OE1-NH2 3.64Å; E142-R145 PolarHBondContact OE1-NH2 2.88Å; E142-R145 IonicContact OE2-CZ 3.72Å; E142-R145 IonicContact OE2-NE 3.55Å; E142-R145 PolarHBondContact OE2-NE 2.87Å; E142-R145 IonicContact OE2-NH2 3.32Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 2.86Å; R145-R149 VanDerWaalsContact NH1-NH1 3.15Å; R145-R149 PolarHBondContact O-NE 2.6Å; R145-R149 VanDerWaalsContact O-NE 3.16Å
146	I	98.4	Very high	97.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-53.6	177.4	-66.8	157.6	0	0	0	110.3	L107 E108 V111 E142 L143 A144 A148 R149	L107-I146 HydrophobicContact CB-CD1 3.77Å; E108-I146 HydrophobicContact CB-CD1 3.87Å; E108-I146 HydrophobicContact CB-CG1 3.95Å; E108-I146 HydrophobicContact CG-CG1 4.35Å; E108-I146 HydrophobicContact CG-CG2 4.37Å; E108-I146 VanDerWaalsContact N-CD1 3.35Å; V111-I146 HydrophobicContact CB-CG2 4.32Å; V111-I146 HydrophobicContact CG1-CG2 4.14Å; E142-I146 HydrophobicContact CG-CD1 3.89Å; E142-I146 WeakPolarHBondContact O-CD1 3.23Å; E142-I146 VanDerWaalsContact O-CG1 3.23Å; E142-I146 WeakPolarHBondContact O-CG1 3.32Å; E142-I146 PolarHBondContact O-N 3.49Å; L143-I146 PolarHBondContact O-N 3.25Å; A144-I146 PolarHBondContact O-N 3.19Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 3.39Å; I146-R149 PolarHBondContact O-N 3.1Å; I146-R149 VanDerWaalsContact O-N 3.16Å
147	L	97.8	Very high	97.4	Very high	18 Å²	18	61.7 Å²	61.7	9%	0.094	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-31.6	-174.4	-65	176.6	0	0	0	112.7	V111 L143 A144 R149 K150 I153 I156	V111-L147 HydrophobicContact CG1-CD2 4.24Å; L143-L147 WeakPolarHBondContact O-CB 3.3Å; L143-L147 VanDerWaalsContact O-CG 3.28Å; L143-L147 WeakPolarHBondContact O-CG 3.25Å; L143-L147 PolarHBondContact O-N 3.47Å; A144-L147 PolarHBondContact O-N 3.38Å; L147-R149 PolarHBondContact O-N 3.14Å; L147-K150 PolarHBondContact O-N 2.86Å; L147-I153 HydrophobicContact CB-CD1 4.41Å; L147-I153 HydrophobicContact CB-CG1 4.46Å; L147-I153 HydrophobicContact CB-CG2 4.25Å; L147-I153 HydrophobicContact CD1-CG2 4.17Å; L147-I153 HydrophobicContact CD2-CG2 4.28Å; L147-I153 HydrophobicContact CG-CG2 4.46Å; L147-I153 WeakPolarHBondContact O-CD1 3.22Å; L147-I156 HydrophobicContact CD1-CD1 3.93Å; L147-I156 HydrophobicContact CD1-CG1 3.95Å
148	A	97.7	Very high	97.4	Very high	83 Å²	83	63.9 Å²	63.9	69%	0.686	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.3	174.2	0	0	0	0	0	113.8	A144 I146	A144-A148 WeakPolarHBondContact O-CB 3.21Å; A144-A148 PolarHBondContact O-N 2.87Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 3.39Å
149	R	96.9	Very high	97.4	Very high	127 Å²	127	66.5 Å²	66.5	48%	0.479	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-6.3	177.2	-63.8	177.3	-70.9	164.8	9.4	113.2	E108 R145 I146 L147	E108-R149 IonicContact OE1-CZ 3.52Å; E108-R149 VanDerWaalsContact OE1-CZ 3.27Å; E108-R149 IonicContact OE1-NH1 3.24Å; E108-R149 PolarHBondContact OE1-NH1 2.99Å; E108-R149 IonicContact OE1-NH2 3.12Å; E108-R149 PolarHBondContact OE1-NH2 3.2Å; E108-R149 IonicContact OE2-CZ 3.61Å; E108-R149 IonicContact OE2-NH1 2.59Å; E108-R149 IonicContact OE2-NH2 3.27Å; E108-R149 PolarHBondContact OE2-NH2 2.96Å; R145-R149 VanDerWaalsContact NH1-NH1 3.15Å; R145-R149 PolarHBondContact O-NE 2.6Å; R145-R149 VanDerWaalsContact O-NE 3.16Å; I146-R149 PolarHBondContact O-N 3.1Å; I146-R149 VanDerWaalsContact O-N 3.16Å; L147-R149 PolarHBondContact O-N 3.14Å
150	K	94.9	Very high	97.4	Very high	58 Å²	58	71.4 Å²	71.4	25%	0.252	36%	0.357	S	S	.	.			trans	-94.6	139.7	-178.9	-54.6	-58.7	-172.6	-179.6	0	110	D112 L147 I153	D112-K150 VanDerWaalsContact OD1-CE 3.3Å; D112-K150 WeakPolarHBondContact OD1-CE 3.46Å; D112-K150 IonicContact OD1-NZ 2.65Å; D112-K150 PolarHBondContact OD1-NZ 3.24Å; D112-K150 IonicContact OD2-NZ 3.27Å; L147-K150 PolarHBondContact O-N 2.86Å; K150-I153 HydrophobicContact CB-CG1 4.4Å
151	R	94.4	Very high	97.3	Very high	262 Å²	262	66.4 Å²	66.4	99%	0.989	34%	0.34	S	S	*	.	S	Bend	trans	-76.7	-34.7	177	-69.7	-173.4	176.9	-170	-0.6	112.9
152	S	93	Very high	97.3	Very high	101 Å²	101	65 Å²	65	71%	0.706	33%	0.33	S	S	*	.	S	Bend	trans	-114.7	120	172.8	-170.6	0	0	0	0	107.3
153	I	95.4	Very high	97.3	Very high	95 Å²	95	63 Å²	63	49%	0.487	32%	0.321	S	S	.	.			trans	-106.6	127.8	-179.4	-62.1	174.7	0	0	0	107	L147 K150	L147-I153 HydrophobicContact CB-CD1 4.41Å; L147-I153 HydrophobicContact CB-CG1 4.46Å; L147-I153 HydrophobicContact CB-CG2 4.25Å; L147-I153 HydrophobicContact CD1-CG2 4.17Å; L147-I153 HydrophobicContact CD2-CG2 4.28Å; L147-I153 HydrophobicContact CG-CG2 4.46Å; L147-I153 WeakPolarHBondContact O-CD1 3.22Å; K150-I153 HydrophobicContact CB-CG1 4.4Å
154	P	96.8	Very high	97.3	Very high	13 Å²	13	66.5 Å²	66.5	8%	0.084	34%	0.34	C	S	.	.			trans	-69	161.9	176.4	30.9	-35.3	0	0	0	110.8	L115 D120 I122 I156	L115-P154 HydrophobicContact CD2-CB 4.44Å; L115-P154 HydrophobicContact CD2-CG 3.98Å; D120-P154 CarbonylContact O-C 3.51Å; D120-P154 VanDerWaalsContact O-CA 3.27Å; D120-P154 WeakPolarHBondContact O-CA 3.46Å; D120-P154 VanDerWaalsContact O-CB 3.24Å; D120-P154 WeakPolarHBondContact O-CB 3.14Å; I122-P154 HydrophobicContact CD1-CG 3.68Å; I122-P154 HydrophobicContact CG1-CB 4.31Å; I122-P154 HydrophobicContact CG1-CG 3.97Å; P154-I156 HydrophobicContact CG-CD1 4.06Å
155	G	97.9	Very high	97.3	Very high	32 Å²	32	67.6 Å²	67.6	33%	0.33	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	141	164.7	0	0	0	0	0	110.1	D120 H121 I122	D120-G155 PolarHBondContact O-N 2.76Å; H121-G155 CarbonylContact C-O 3.48Å; H121-G155 VanDerWaalsContact CA-O 3.25Å; H121-G155 WeakPolarHBondContact CA-O 3.32Å; I122-G155 PolarHBondContact N-O 2.89Å
156	I	98.5	Very high	97.3	Very high	54 Å²	54	69 Å²	69	28%	0.277	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124	180	-58	-61.9	0	0	0	109.2	I122 V124 L147 P154 F158	I122-I156 HydrophobicContact CB-CD1 3.88Å; I122-I156 HydrophobicContact CD1-CD1 4.47Å; I122-I156 HydrophobicContact CG1-CD1 4.49Å; I122-I156 WeakPolarHBondContact O-CA 3.47Å; V124-I156 HydrophobicContact CG2-CG2 4.16Å; L147-I156 HydrophobicContact CD1-CD1 3.93Å; L147-I156 HydrophobicContact CD1-CG1 3.95Å; P154-I156 HydrophobicContact CG-CD1 4.06Å; I156-F158 HydrophobicContact CG2-CB 4.13Å
157	S	98.6	Very high	97.2	Very high	55 Å²	55	74.7 Å²	74.7	39%	0.385	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	103.9	161.3	-70.4	0	0	0	0	108.2	H121 I122 V123 V124	H121-S157 PolarHBondContact CE1-OG 2.93Å; H121-S157 PolarHBondContact NE2-OG 3.47Å; I122-S157 PolarHBondContact O-N 3.29Å; V123-S157 CarbonylContact C-O 3.54Å; V123-S157 WeakPolarHBondContact CA-O 3.42Å; V124-S157 PolarHBondContact N-O 3.39Å
158	F	98.5	Very high	97.2	Very high	51 Å²	51	75.2 Å²	75.2	22%	0.224	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.4	-178.4	-169.5	-88.6	0	0	0	110.2	V124 P126 V136 V139 W140 L143 I156 R160	V124-F158 HydrophobicContact CB-CD2 3.69Å; V124-F158 HydrophobicContact CB-CE2 4.19Å; V124-F158 HydrophobicContact CB-CG 4.47Å; V124-F158 HydrophobicContact CG1-CD2 3.79Å; V124-F158 HydrophobicContact CG1-CE2 3.73Å; V124-F158 HydrophobicContact CG2-CD2 4.07Å; P126-F158 HydrophobicContact CG-CZ 4.12Å; V136-F158 HydrophobicContact CG1-CE1 3.4Å; V136-F158 HydrophobicContact CG1-CZ 3.67Å; V139-F158 HydrophobicContact CB-CE2 4.45Å; V139-F158 HydrophobicContact CB-CZ 4.33Å; V139-F158 HydrophobicContact CG1-CE2 3.91Å; V139-F158 HydrophobicContact CG1-CZ 4.25Å; W140-F158 HydrophobicContact CB-CE2 4.32Å; W140-F158 HydrophobicContact CB-CZ 4.04Å; W140-F158 HydrophobicContact CE3-CB 4.22Å; W140-F158 HydrophobicContact CE3-CD1 4.19Å; W140-F158 AromaticContact CE3-CD2 3.66Å; W140-F158 HydrophobicContact CE3-CD2 3.66Å; W140-F158 HydrophobicContact CE3-CE1 4.48Å; W140-F158 AromaticContact CE3-CE2 3.99Å; W140-F158 HydrophobicContact CE3-CE2 3.99Å; W140-F158 AromaticContact CE3-CG 3.76Å; W140-F158 HydrophobicContact CE3-CG 3.76Å; W140-F158 HydrophobicContact CE3-CZ 4.39Å; W140-F158 HydrophobicContact CZ3-CB 3.96Å; W140-F158 HydrophobicContact CZ3-CD2 4.11Å; W140-F158 HydrophobicContact CZ3-CG 4.01Å; L143-F158 HydrophobicContact CD1-CD2 4.11Å; L143-F158 HydrophobicContact CD1-CE2 3.93Å; I156-F158 HydrophobicContact CG2-CB 4.13Å; F158-R160 PolarHBondContact O-N 3.12Å; F158-R160 VanDerWaalsContact O-N 3.17Å
159	I	98.5	Very high	97.3	Very high	57 Å²	57	71.6 Å²	71.6	29%	0.292	35%	0.35	S	S	.	.			trans	-76.8	105.9	177.1	-61	172.1	0	0	0	107.5	V123 V124 L125 P126 Y162	V123-I159 HydrophobicContact CG1-CD1 3.82Å; V123-I159 HydrophobicContact CG1-CG1 4.29Å; V124-I159 WeakPolarHBondContact O-CB 3.36Å; V124-I159 WeakPolarHBondContact O-CG1 3.4Å; V124-I159 PolarHBondContact O-N 3.41Å; L125-I159 HydrophobicContact CB-CD1 4.23Å; L125-I159 HydrophobicContact CD1-CB 4.39Å; L125-I159 HydrophobicContact CD1-CD1 3.78Å; L125-I159 HydrophobicContact CD1-CG2 4.2Å; P126-I159 WeakPolarHBondContact CD-O 3.47Å; P126-I159 WeakPolarHBondContact CG-O 3.39Å; I159-Y162 HydrophobicContact CG2-CD1 3.97Å
160	R	97.5	Very high	97.3	Very high	102 Å²	102	67.8 Å²	67.8	39%	0.385	34%	0.34	S	S	.	.			trans	-59.2	-50.5	-179.9	-180	-170.1	-174.4	-100.9	1.6	111.5	Y131 V136 F158 D206	Y131-R160 VanDerWaalsContact CD1-NH2 3.31Å; Y131-R160 HydrophobicContact CD2-CG 3.65Å; Y131-R160 HydrophobicContact CE2-CG 4.38Å; Y131-R160 HydrophobicContact CG-CG 4.18Å; V136-R160 WeakPolarHBondContact CG1-O 3.33Å; F158-R160 PolarHBondContact O-N 3.12Å; F158-R160 VanDerWaalsContact O-N 3.17Å; R160-D206 IonicContact CZ-OD1 3.29Å; R160-D206 IonicContact CZ-OD2 2.66Å; R160-D206 IonicContact NH1-OD1 3.58Å; R160-D206 IonicContact NH1-OD2 3.03Å; R160-D206 PolarHBondContact NH1-OD2 3.41Å; R160-D206 IonicContact NH2-OD1 2.82Å; R160-D206 PolarHBondContact NH2-OD1 3.4Å; R160-D206 IonicContact NH2-OD2 2.74Å; R160-D206 PolarHBondContact NH2-OD2 3.19Å
161	D	97.7	Very high	97.4	Very high	25 Å²	25	67.5 Å²	67.5	13%	0.134	35%	0.348	C	S	.	.			trans	-168.2	174.9	177.3	69.2	72.6	0	0	0	108.7	P129 A163 R210	P129-D161 WeakPolarHBondContact O-CB 3.47Å; D161-A163 PolarHBondContact OD1-N 2.83Å; D161-R210 IonicContact OD1-CZ 3.58Å; D161-R210 VanDerWaalsContact OD1-CZ 3.27Å; D161-R210 IonicContact OD1-NE 3.06Å; D161-R210 PolarHBondContact OD1-NE 3.03Å; D161-R210 VanDerWaalsContact OD1-NE 3.12Å; D161-R210 IonicContact OD1-NH2 3.12Å; D161-R210 PolarHBondContact OD1-NH2 3.2Å; D161-R210 IonicContact OD2-CZ 3.01Å; D161-R210 IonicContact OD2-NE 2.91Å; D161-R210 PolarHBondContact OD2-NE 3.29Å; D161-R210 IonicContact OD2-NH2 2.91Å
162	Y	98	Very high	97.6	Very high	34 Å²	34	56 Å²	56	13%	0.133	31%	0.306	C	S	.	.			trans	-146.1	36.1	178.7	47.1	-86.6	0	0	0	110.1	L125 P126 P129 I159 D164 N165 Y168	L125-Y162 HydrophobicContact CD1-CD1 3.87Å; L125-Y162 HydrophobicContact CD1-CE1 3.5Å; L125-Y162 VanDerWaalsContact CD1-CE1 3.5Å; P126-Y162 VanDerWaalsContact O-CE1 3.29Å; P126-Y162 WeakPolarHBondContact O-CE1 3.41Å; P126-Y162 PolarHBondContact O-OH 3.23Å; P129-Y162 HydrophobicContact CB-CD2 3.81Å; P129-Y162 HydrophobicContact CB-CE2 3.42Å; P129-Y162 VanDerWaalsContact CB-CE2 3.42Å; P129-Y162 HydrophobicContact CG-CD2 4.44Å; P129-Y162 HydrophobicContact CG-CE2 3.59Å; P129-Y162 CarbonylContact O-C 3.35Å; P129-Y162 PolarHBondContact O-N 3.35Å; I159-Y162 HydrophobicContact CG2-CD1 3.97Å; Y162-D164 PolarHBondContact O-N 2.92Å; Y162-N165 WeakPolarHBondContact O-CB 3.47Å; Y162-N165 PolarHBondContact O-N 2.9Å; Y162-N165 VanDerWaalsContact O-N 3.11Å; Y162-Y168 HydrophobicContact CD2-CD1 4.17Å; Y162-Y168 HydrophobicContact CD2-CD2 4.02Å; Y162-Y168 AromaticContact CD2-CG 3.76Å; Y162-Y168 HydrophobicContact CD2-CG 3.76Å; Y162-Y168 AromaticContact CE2-CD2 3.93Å; Y162-Y168 HydrophobicContact CE2-CD2 3.93Å; Y162-Y168 HydrophobicContact CE2-CE2 4.31Å; Y162-Y168 HydrophobicContact CE2-CG 4.15Å; Y162-Y168 VanDerWaalsContact O-CD1 3.23Å; Y162-Y168 WeakPolarHBondContact O-CD1 3.36Å
163	A	98.1	Very high	97.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.2	-171.7	0	0	0	0	0	113.7	P129 Q130 D161 R210 T214	P129-A163 WeakPolarHBondContact O-CA 3.37Å; P129-A163 PolarHBondContact O-N 3.16Å; Q130-A163 HydrophobicContact CG-CB 3.9Å; D161-A163 PolarHBondContact OD1-N 2.83Å; A163-R210 HydrophobicContact CB-CB 4.03Å; A163-T214 WeakPolarHBondContact CA-OG1 3.49Å; A163-T214 WeakPolarHBondContact CB-OG1 3.49Å; A163-T214 WeakPolarHBondContact O-CA 3.44Å; A163-T214 WeakPolarHBondContact O-CB 3.4Å; A163-T214 PolarHBondContact O-OG1 3.11Å
164	D	98	Very high	97.9	Very high	78 Å²	78	51.1 Å²	51.1	42%	0.417	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	10	178.5	45.7	12.9	0	0	0	112.6	Y162 H166 R210 T213 E217	Y162-D164 PolarHBondContact O-N 2.92Å; D164-H166 PolarHBondContact O-N 2.86Å; D164-R210 VanDerWaalsContact CG-NH2 3.26Å; D164-R210 IonicContact OD1-NH2 2.7Å; D164-R210 PolarHBondContact OD1-NH2 3.12Å; D164-R210 IonicContact OD2-CZ 3.77Å; D164-R210 IonicContact OD2-NH1 3.29Å; D164-R210 PolarHBondContact OD2-NH1 3.06Å; D164-R210 IonicContact OD2-NH2 2.71Å; D164-R210 PolarHBondContact OD2-NH2 2.91Å; D164-R210 VanDerWaalsContact OD2-NH2 3.12Å; D164-T213 HydrophobicContact CB-CG2 3.71Å; D164-E217 HydrophobicContact CB-CG 4.31Å
165	N	98.5	Very high	97.9	Very high	69 Å²	69	53.8 Å²	53.8	37%	0.369	29%	0.292	S	S	.	.			trans	-64.1	129.9	177.3	176.7	-82.1	0	0	0	110	Y162 D167 Y168 I169	Y162-N165 WeakPolarHBondContact O-CB 3.47Å; Y162-N165 PolarHBondContact O-N 2.9Å; Y162-N165 VanDerWaalsContact O-N 3.11Å; N165-D167 VanDerWaalsContact C-N 3.33Å; N165-D167 PolarHBondContact O-N 3.01Å; N165-D167 WeakPolarHBondContact OD1-CB 3.44Å; N165-D167 PolarHBondContact OD1-N 2.91Å; N165-Y168 WeakPolarHBondContact O-CB 3.35Å; N165-Y168 PolarHBondContact O-N 3.3Å; N165-Y168 VanDerWaalsContact O-N 3.16Å; N165-Y168 PolarHBondContact OD1-N 3.37Å; N165-Y168 VanDerWaalsContact OD1-N 3.15Å; N165-I169 WeakPolarHBondContact O-CG1 3.44Å; N165-I169 PolarHBondContact O-N 3.42Å
166	H	98.2	Very high	97.8	Very high	135 Å²	135	52.5 Å²	52.5	63%	0.625	28%	0.278	S	S	*	.	H	α-helix	trans	-59.3	-40.1	-174.5	-177	-130.5	0	0	0	113.2	D164 I169 N170	D164-H166 PolarHBondContact O-N 2.86Å; H166-I169 PolarHBondContact O-N 3.34Å; H166-N170 PolarHBondContact CD2-ND2 2.92Å; H166-N170 VanDerWaalsContact CD2-ND2 3.35Å; H166-N170 PolarHBondContact CE1-ND2 2.65Å; H166-N170 PolarHBondContact NE2-ND2 3.01Å; H166-N170 WeakPolarHBondContact O-CB 3.48Å; H166-N170 VanDerWaalsContact O-CG 3.23Å; H166-N170 PolarHBondContact O-N 2.98Å; H166-N170 PolarHBondContact O-ND2 3.38Å
167	D	97.3	Very high	97.8	Very high	119 Å²	119	55 Å²	55	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-69.1	-37.8	179.3	-61.7	-38.8	0	0	0	111.4	N165 N170 A171	N165-D167 VanDerWaalsContact C-N 3.33Å; N165-D167 PolarHBondContact O-N 3.01Å; N165-D167 WeakPolarHBondContact OD1-CB 3.44Å; N165-D167 PolarHBondContact OD1-N 2.91Å; D167-N170 PolarHBondContact O-N 2.71Å; D167-A171 WeakPolarHBondContact O-CB 3.13Å; D167-A171 PolarHBondContact O-N 3.34Å
168	Y	97.7	Very high	97.7	Very high	29 Å²	29	55.4 Å²	55.4	11%	0.114	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-48	174	173.4	-114.8	0	0	0	112.2	P129 Y162 N165 N170 A171 L172 T214 P267	P129-Y168 HydrophobicContact CB-CD1 4.19Å; P129-Y168 HydrophobicContact CB-CD2 4.46Å; P129-Y168 HydrophobicContact CB-CE1 3.55Å; P129-Y168 HydrophobicContact CB-CE2 3.88Å; P129-Y168 HydrophobicContact CG-CD2 4.46Å; P129-Y168 HydrophobicContact CG-CE1 4.19Å; P129-Y168 HydrophobicContact CG-CE2 3.64Å; P129-Y168 VanDerWaalsContact CG-CZ 3.48Å; P129-Y168 WeakPolarHBondContact CG-OH 3.27Å; Y162-Y168 HydrophobicContact CD2-CD1 4.17Å; Y162-Y168 HydrophobicContact CD2-CD2 4.02Å; Y162-Y168 AromaticContact CD2-CG 3.76Å; Y162-Y168 HydrophobicContact CD2-CG 3.76Å; Y162-Y168 AromaticContact CE2-CD2 3.93Å; Y162-Y168 HydrophobicContact CE2-CD2 3.93Å; Y162-Y168 HydrophobicContact CE2-CE2 4.31Å; Y162-Y168 HydrophobicContact CE2-CG 4.15Å; Y162-Y168 VanDerWaalsContact O-CD1 3.23Å; Y162-Y168 WeakPolarHBondContact O-CD1 3.36Å; N165-Y168 WeakPolarHBondContact O-CB 3.35Å; N165-Y168 PolarHBondContact O-N 3.3Å; N165-Y168 VanDerWaalsContact O-N 3.16Å; N165-Y168 PolarHBondContact OD1-N 3.37Å; N165-Y168 VanDerWaalsContact OD1-N 3.15Å; Y168-N170 VanDerWaalsContact C-N 3.29Å; Y168-N170 PolarHBondContact O-N 3.43Å; Y168-A171 WeakPolarHBondContact O-CB 3.26Å; Y168-A171 PolarHBondContact O-N 3.03Å; Y168-A171 VanDerWaalsContact O-N 3.13Å; Y168-L172 HydrophobicContact CD1-CD1 4.41Å; Y168-L172 HydrophobicContact CE1-CD1 3.67Å; Y168-L172 HydrophobicContact CE1-CG 4.23Å; Y168-L172 HydrophobicContact CE2-CD1 4.23Å; Y168-L172 HydrophobicContact CE2-CD2 3.99Å; Y168-L172 HydrophobicContact CE2-CG 3.92Å; Y168-L172 PolarHBondContact O-N 3.42Å; Y168-L172 WeakPolarHBondContact OH-CD1 3.24Å; Y168-T214 HydrophobicContact CE1-CG2 4.01Å; Y168-P267 PolarHBondContact OH-O 2.91Å
169	I	98.4	Very high	97.5	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-40.4	176.7	-65.3	-59.2	0	0	0	111.1	N165 H166 L172 A173 T214 E217 A221	N165-I169 WeakPolarHBondContact O-CG1 3.44Å; N165-I169 PolarHBondContact O-N 3.42Å; H166-I169 PolarHBondContact O-N 3.34Å; I169-L172 HydrophobicContact CD1-CD1 4.41Å; I169-L172 PolarHBondContact O-N 3.28Å; I169-A173 WeakPolarHBondContact O-CB 3.34Å; I169-A173 PolarHBondContact O-N 3.11Å; I169-T214 HydrophobicContact CD1-CG2 4.04Å; I169-E217 HydrophobicContact CD1-CB 3.72Å; I169-E217 HydrophobicContact CG1-CB 3.83Å; I169-E217 HydrophobicContact CG2-CB 4.22Å; I169-A221 HydrophobicContact CG2-CB 3.74Å
170	N	98.3	Very high	97.3	Very high	47 Å²	47	53.7 Å²	53.7	25%	0.251	29%	0.286	S	S	.	.	H	α-helix	trans	-65.1	-39.1	175.2	-75.9	-34.5	0	0	0	112.3	H166 D167 Y168 A173 N174	H166-N170 PolarHBondContact CD2-ND2 2.92Å; H166-N170 VanDerWaalsContact CD2-ND2 3.35Å; H166-N170 PolarHBondContact CE1-ND2 2.65Å; H166-N170 PolarHBondContact NE2-ND2 3.01Å; H166-N170 WeakPolarHBondContact O-CB 3.48Å; H166-N170 VanDerWaalsContact O-CG 3.23Å; H166-N170 PolarHBondContact O-N 2.98Å; H166-N170 PolarHBondContact O-ND2 3.38Å; D167-N170 PolarHBondContact O-N 2.71Å; Y168-N170 VanDerWaalsContact C-N 3.29Å; Y168-N170 PolarHBondContact O-N 3.43Å; N170-A173 PolarHBondContact O-N 2.92Å; N170-N174 WeakPolarHBondContact O-CB 3.46Å; N170-N174 PolarHBondContact O-N 3.39Å; N170-N174 PolarHBondContact O-ND2 3.3Å
171	A	96.8	Very high	97.3	Very high	52 Å²	52	53.2 Å²	53.2	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-45.4	174.2	0	0	0	0	0	111.6	D167 Y168 N174 S175	D167-A171 WeakPolarHBondContact O-CB 3.13Å; D167-A171 PolarHBondContact O-N 3.34Å; Y168-A171 WeakPolarHBondContact O-CB 3.26Å; Y168-A171 PolarHBondContact O-N 3.03Å; Y168-A171 VanDerWaalsContact O-N 3.13Å; A171-N174 PolarHBondContact O-N 2.84Å; A171-S175 PolarHBondContact O-N 3.27Å; A171-S175 VanDerWaalsContact O-N 3.11Å; A171-S175 PolarHBondContact O-OG 3.34Å
172	L	97.6	Very high	97.2	Very high	19 Å²	19	59.7 Å²	59.7	10%	0.099	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-49.5	173.7	-67.4	-178.9	0	0	0	111.9	Y168 I169 N174 S175 V176 T214 L218 M265 P267	Y168-L172 HydrophobicContact CD1-CD1 4.41Å; Y168-L172 HydrophobicContact CE1-CD1 3.67Å; Y168-L172 HydrophobicContact CE1-CG 4.23Å; Y168-L172 HydrophobicContact CE2-CD1 4.23Å; Y168-L172 HydrophobicContact CE2-CD2 3.99Å; Y168-L172 HydrophobicContact CE2-CG 3.92Å; Y168-L172 PolarHBondContact O-N 3.42Å; Y168-L172 WeakPolarHBondContact OH-CD1 3.24Å; I169-L172 HydrophobicContact CD1-CD1 4.41Å; I169-L172 PolarHBondContact O-N 3.28Å; L172-N174 VanDerWaalsContact C-N 3.25Å; L172-N174 PolarHBondContact O-N 3.38Å; L172-S175 WeakPolarHBondContact O-CB 3.42Å; L172-S175 PolarHBondContact O-N 3.1Å; L172-S175 VanDerWaalsContact O-N 3.1Å; L172-V176 WeakPolarHBondContact O-CG2 3.31Å; L172-V176 PolarHBondContact O-N 3.1Å; L172-T214 HydrophobicContact CD1-CG2 3.72Å; L172-L218 HydrophobicContact CB-CD1 3.79Å; L172-L218 HydrophobicContact CB-CD2 4.2Å; L172-L218 HydrophobicContact CD1-CD2 4.16Å; L172-M265 HydrophobicContact CB-SD 4.35Å; L172-M265 HydrophobicContact CD2-CE 4.48Å; L172-M265 HydrophobicContact CD2-SD 4.01Å; L172-P267 HydrophobicContact CD1-CB 3.96Å; L172-P267 HydrophobicContact CD2-CB 4.33Å
173	A	98.1	Very high	96.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-37.5	-178.7	0	0	0	0	0	111.6	I169 N170 V176 R177 L218 A221 L222	I169-A173 WeakPolarHBondContact O-CB 3.34Å; I169-A173 PolarHBondContact O-N 3.11Å; N170-A173 PolarHBondContact O-N 2.92Å; A173-V176 PolarHBondContact O-N 2.62Å; A173-R177 WeakPolarHBondContact O-CB 3.43Å; A173-R177 VanDerWaalsContact O-CG 3.25Å; A173-R177 WeakPolarHBondContact O-CG 3.41Å; A173-R177 PolarHBondContact O-N 3.34Å; A173-L218 HydrophobicContact CB-CD1 3.91Å; A173-A221 HydrophobicContact CB-CB 4.2Å; A173-L222 HydrophobicContact CB-CD2 4.03Å; A173-L222 HydrophobicContact CB-CG 4.39Å
174	N	98	Very high	96.7	Very high	94 Å²	94	62.4 Å²	62.4	50%	0.503	35%	0.354	S	S	.	.	H	α-helix	trans	-65.6	-42.1	175.1	-70.7	-19	0	0	0	112.1	N170 A171 L172 R177 A178	N170-N174 WeakPolarHBondContact O-CB 3.46Å; N170-N174 PolarHBondContact O-N 3.39Å; N170-N174 PolarHBondContact O-ND2 3.3Å; A171-N174 PolarHBondContact O-N 2.84Å; L172-N174 VanDerWaalsContact C-N 3.25Å; L172-N174 PolarHBondContact O-N 3.38Å; N174-R177 PolarHBondContact O-N 3.41Å; N174-R177 PolarHBondContact OD1-NH1 2.85Å; N174-A178 WeakPolarHBondContact O-CB 3.28Å; N174-A178 PolarHBondContact O-N 2.66Å
175	S	95.9	Very high	96.5	Very high	70 Å²	70	64 Å²	64	49%	0.49	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-42.9	173.8	-65.2	0	0	0	0	112.1	A171 L172 A178 S179	A171-S175 PolarHBondContact O-N 3.27Å; A171-S175 VanDerWaalsContact O-N 3.11Å; A171-S175 PolarHBondContact O-OG 3.34Å; L172-S175 WeakPolarHBondContact O-CB 3.42Å; L172-S175 PolarHBondContact O-N 3.1Å; L172-S175 VanDerWaalsContact O-N 3.1Å; S175-A178 PolarHBondContact O-N 3.24Å; S175-S179 PolarHBondContact O-N 2.67Å
176	V	96.2	Very high	96.3	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.024	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-49.2	175.5	174.9	0	0	0	0	111.2	L172 A173 A178 S179 F180 L189 L218 L222 M265	L172-V176 WeakPolarHBondContact O-CG2 3.31Å; L172-V176 PolarHBondContact O-N 3.1Å; A173-V176 PolarHBondContact O-N 2.62Å; V176-A178 VanDerWaalsContact C-N 3.28Å; V176-A178 PolarHBondContact O-N 2.82Å; V176-S179 WeakPolarHBondContact O-CA 3.47Å; V176-S179 WeakPolarHBondContact O-CB 3.18Å; V176-S179 PolarHBondContact O-N 2.75Å; V176-S179 VanDerWaalsContact O-N 3.08Å; V176-F180 HydrophobicContact CG1-CD1 3.97Å; V176-F180 HydrophobicContact CG1-CD2 4.06Å; V176-F180 HydrophobicContact CG1-CE1 3.44Å; V176-F180 VanDerWaalsContact CG1-CE1 3.44Å; V176-F180 HydrophobicContact CG1-CE2 3.56Å; V176-F180 HydrophobicContact CG1-CG 4.25Å; V176-F180 HydrophobicContact CG1-CZ 3.23Å; V176-F180 WeakPolarHBondContact O-CD1 3Å; V176-F180 WeakPolarHBondContact O-CG 3.45Å; V176-F180 PolarHBondContact O-N 3.04Å; V176-L189 HydrophobicContact CG1-CD2 4.08Å; V176-L189 HydrophobicContact CG2-CD2 4.31Å; V176-L218 HydrophobicContact CG2-CD2 4.46Å; V176-L222 HydrophobicContact CB-CD1 4.09Å; V176-L222 HydrophobicContact CB-CD2 3.91Å; V176-L222 HydrophobicContact CG1-CD1 3.7Å; V176-L222 HydrophobicContact CG1-CD2 3.79Å; V176-L222 HydrophobicContact CG1-CG 4.42Å; V176-L222 HydrophobicContact CG2-CD1 4.16Å; V176-M265 HydrophobicContact CB-CE 4.48Å; V176-M265 HydrophobicContact CG2-CE 3.36Å; V176-M265 HydrophobicContact CG2-SD 3.6Å; V176-M265 VanDerWaalsContact CG2-SD 3.6Å
177	R	97.6	Very high	96.1	Very high	107 Å²	107	58.9 Å²	58.9	40%	0.404	34%	0.336	S	S	.	.	H	α-helix	trans	-60.1	-38.8	178.7	-72.4	174.7	-169.2	128.5	-1.3	112	A173 N174 F180 A181 A221 L222	A173-R177 WeakPolarHBondContact O-CB 3.43Å; A173-R177 VanDerWaalsContact O-CG 3.25Å; A173-R177 WeakPolarHBondContact O-CG 3.41Å; A173-R177 PolarHBondContact O-N 3.34Å; N174-R177 PolarHBondContact O-N 3.41Å; N174-R177 PolarHBondContact OD1-NH1 2.85Å; R177-F180 PolarHBondContact O-N 2.86Å; R177-A181 WeakPolarHBondContact O-CB 3.43Å; R177-A181 PolarHBondContact O-N 2.7Å; R177-A221 PolarHBondContact NH2-O 3.07Å; R177-L222 HydrophobicContact CG-CD2 4.01Å
178	A	96.4	Very high	96.1	Very high	63 Å²	63	53.8 Å²	53.8	52%	0.521	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-41.4	174.7	0	0	0	0	0	111.8	N174 S175 V176 K182	N174-A178 WeakPolarHBondContact O-CB 3.28Å; N174-A178 PolarHBondContact O-N 2.66Å; S175-A178 PolarHBondContact O-N 3.24Å; V176-A178 VanDerWaalsContact C-N 3.28Å; V176-A178 PolarHBondContact O-N 2.82Å; A178-K182 PolarHBondContact O-N 3.5Å
179	S	94.8	Very high	96	Very high	40 Å²	40	52.5 Å²	52.5	28%	0.28	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-46.5	173	-170.2	0	0	0	0	111.5	S175 V176 A181 K182 H183 Q263	S175-S179 PolarHBondContact O-N 2.67Å; V176-S179 WeakPolarHBondContact O-CA 3.47Å; V176-S179 WeakPolarHBondContact O-CB 3.18Å; V176-S179 PolarHBondContact O-N 2.75Å; V176-S179 VanDerWaalsContact O-N 3.08Å; S179-A181 VanDerWaalsContact C-N 3.35Å; S179-A181 PolarHBondContact O-N 3.03Å; S179-K182 PolarHBondContact O-N 3.47Å; S179-H183 WeakPolarHBondContact O-CB 3.42Å; S179-H183 PolarHBondContact O-CD2 3.45Å; S179-H183 VanDerWaalsContact O-CD2 3.31Å; S179-H183 PolarHBondContact O-N 3.11Å; S179-Q263 PolarHBondContact OG-OE1 3.31Å
180	F	95	Very high	96	Very high	33 Å²	33	52.1 Å²	52.1	15%	0.145	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-40.1	179.8	-68.4	1.5	0	0	0	112.4	V176 R177 K182 G184 E185 P186 L189 M224	V176-F180 HydrophobicContact CG1-CD1 3.97Å; V176-F180 HydrophobicContact CG1-CD2 4.06Å; V176-F180 HydrophobicContact CG1-CE1 3.44Å; V176-F180 VanDerWaalsContact CG1-CE1 3.44Å; V176-F180 HydrophobicContact CG1-CE2 3.56Å; V176-F180 HydrophobicContact CG1-CG 4.25Å; V176-F180 HydrophobicContact CG1-CZ 3.23Å; V176-F180 WeakPolarHBondContact O-CD1 3Å; V176-F180 WeakPolarHBondContact O-CG 3.45Å; V176-F180 PolarHBondContact O-N 3.04Å; R177-F180 PolarHBondContact O-N 2.86Å; F180-K182 PolarHBondContact O-N 2.87Å; F180-G184 WeakPolarHBondContact CA-O 3.29Å; F180-G184 CarbonylContact O-C 3.54Å; F180-G184 WeakPolarHBondContact O-CA 3.43Å; F180-G184 PolarHBondContact O-N 3.48Å; F180-E185 HydrophobicContact CD2-CG 4.42Å; F180-E185 HydrophobicContact CE2-CG 4.4Å; F180-P186 HydrophobicContact CD1-CG 4.33Å; F180-P186 HydrophobicContact CE1-CG 3.51Å; F180-P186 VanDerWaalsContact CZ-CD 3.44Å; F180-P186 HydrophobicContact CZ-CG 3.71Å; F180-L189 HydrophobicContact CE1-CD1 4.44Å; F180-L189 HydrophobicContact CZ-CD2 4.36Å; F180-M224 HydrophobicContact CE2-CE 4.38Å; F180-M224 HydrophobicContact CE2-SD 3.8Å; F180-M224 HydrophobicContact CZ-CE 4.21Å; F180-M224 HydrophobicContact CZ-SD 3.87Å
181	A	96	Very high	95.9	Very high	92 Å²	92	49.9 Å²	49.9	76%	0.76	29%	0.29	S	S	*	.	H	α-helix	trans	-61.9	-30.5	175.9	0	0	0	0	0	112.5	R177 S179	R177-A181 WeakPolarHBondContact O-CB 3.43Å; R177-A181 PolarHBondContact O-N 2.7Å; S179-A181 VanDerWaalsContact C-N 3.35Å; S179-A181 PolarHBondContact O-N 3.03Å
182	K	95.4	Very high	95.9	Very high	160 Å²	160	47.4 Å²	47.4	70%	0.696	27%	0.27	S	S	*	.	H	α-helix	trans	-90.8	-37.9	-177.7	-176.1	177.4	166.3	-155.4	0	113.6	A178 S179 F180	A178-K182 PolarHBondContact O-N 3.5Å; S179-K182 PolarHBondContact O-N 3.47Å; F180-K182 PolarHBondContact O-N 2.87Å
183	H	93.2	Very high	95.9	Very high	57 Å²	57	46.5 Å²	46.5	26%	0.264	27%	0.265	S	S	.	.	H	α-helix	trans	-114.6	-1.7	-169.8	-56.9	-74.2	0	0	0	113.3	S179 H261 K296	S179-H183 WeakPolarHBondContact O-CB 3.42Å; S179-H183 PolarHBondContact O-CD2 3.45Å; S179-H183 VanDerWaalsContact O-CD2 3.31Å; S179-H183 PolarHBondContact O-N 3.11Å; H183-H261 PolarHBondContact O-CE1 3.47Å; H183-K296 PolarHBondContact CE1-O 3.43Å; H183-K296 PolarHBondContact CE1-OXT 3.36Å; H183-K296 PolarHBondContact ND1-O 3.07Å
184	G	93.7	Very high	95.7	Very high	35 Å²	35	49.2 Å²	49.2	36%	0.361	28%	0.277	S	S	.	.			trans	84.1	166.3	-171.8	0	0	0	0	0	112.5	F180 H261 Q263	F180-G184 WeakPolarHBondContact CA-O 3.29Å; F180-G184 CarbonylContact O-C 3.54Å; F180-G184 WeakPolarHBondContact O-CA 3.43Å; F180-G184 PolarHBondContact O-N 3.48Å; G184-H261 PolarHBondContact O-CE1 3.47Å; G184-Q263 PolarHBondContact O-NE2 3.36Å
185	E	93.5	Very high	95.6	Very high	110 Å²	110	44.9 Å²	44.9	51%	0.514	25%	0.254	S	S	.	.			trans	-71.2	133	172.8	-167.5	-179.1	143.4	0	0	109.8	F180 K228 H261	F180-E185 HydrophobicContact CD2-CG 4.42Å; F180-E185 HydrophobicContact CE2-CG 4.4Å; E185-K228 IonicContact OE1-NZ 3.57Å; E185-K228 PolarHBondContact OE1-NZ 3.19Å; E185-H261 PolarHBondContact O-ND1 2.74Å; E185-H261 VanDerWaalsContact O-ND1 3.11Å
186	P	94.8	Very high	95.6	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.019	23%	0.233	C	C	.	.			trans	-77.9	156.4	178.1	33.8	-36.9	0	0	0	112.4	F180 L188 L189 H261 Q263	F180-P186 HydrophobicContact CD1-CG 4.33Å; F180-P186 HydrophobicContact CE1-CG 3.51Å; F180-P186 VanDerWaalsContact CZ-CD 3.44Å; F180-P186 HydrophobicContact CZ-CG 3.71Å; P186-L188 WeakPolarHBondContact CB-O 3.05Å; P186-L188 PolarHBondContact O-N 2.96Å; P186-L189 HydrophobicContact CG-CB 4.39Å; P186-H261 WeakPolarHBondContact CA-ND1 3.38Å; P186-H261 WeakPolarHBondContact CB-O 3.45Å; P186-Q263 HydrophobicContact CB-CB 4.13Å; P186-Q263 HydrophobicContact CB-CG 4.04Å; P186-Q263 HydrophobicContact CG-CB 4.21Å; P186-Q263 HydrophobicContact CG-CG 4.38Å
187	D	94.2	Very high	95.6	Very high	94 Å²	94	42 Å²	42	50%	0.503	23%	0.234	S	C	.	.	S	Bend	trans	-63.8	-34.5	165.4	-60.4	-42.8	0	0	0	110.2	V259 G260 H261	D187-V259 HydrophobicContact CB-CG1 3.99Å; D187-G260 PolarHBondContact OD2-N 2.88Å; D187-H261 WeakPolarHBondContact CB-O 3.19Å; D187-H261 PolarHBondContact N-O 3.48Å; D187-H261 PolarHBondContact OD2-N 3.36Å
188	L	96.1	Very high	95.6	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.063	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	127.8	178	-172.8	78.2	0	0	0	111.4	P186 M230 L254 V259 H261 I262 Q263	P186-L188 WeakPolarHBondContact CB-O 3.05Å; P186-L188 PolarHBondContact O-N 2.96Å; L188-M230 HydrophobicContact CD1-CB 4.06Å; L188-M230 HydrophobicContact CD2-CB 4.03Å; L188-M230 HydrophobicContact CD2-CE 4.35Å; L188-M230 HydrophobicContact CD2-SD 4.29Å; L188-M230 HydrophobicContact CG-CB 4.3Å; L188-L254 HydrophobicContact CD2-CD1 3.5Å; L188-L254 VanDerWaalsContact CD2-CD1 3.5Å; L188-L254 HydrophobicContact CD2-CD2 4.07Å; L188-L254 HydrophobicContact CD2-CG 4.45Å; L188-V259 HydrophobicContact CB-CG1 4.3Å; L188-H261 PolarHBondContact N-O 2.77Å; L188-I262 HydrophobicContact CB-CG1 4.32Å; L188-I262 WeakPolarHBondContact O-CA 3.38Å; L188-Q263 PolarHBondContact O-N 3.3Å
189	L	97	Very high	95.6	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	115	164.7	178.1	64.4	0	0	0	109.2	V176 F180 P186 L191 L222 M224 K228 V229 M230 Q263	V176-L189 HydrophobicContact CG1-CD2 4.08Å; V176-L189 HydrophobicContact CG2-CD2 4.31Å; F180-L189 HydrophobicContact CE1-CD1 4.44Å; F180-L189 HydrophobicContact CZ-CD2 4.36Å; P186-L189 HydrophobicContact CG-CB 4.39Å; L189-L191 HydrophobicContact CD1-CD2 4.32Å; L189-L191 HydrophobicContact CD2-CD2 4.07Å; L189-L191 HydrophobicContact CG-CD2 3.93Å; L189-L222 HydrophobicContact CD2-CD1 3.79Å; L189-M224 HydrophobicContact CB-CE 3.96Å; L189-M224 HydrophobicContact CB-SD 4.38Å; L189-M224 HydrophobicContact CD2-SD 3.97Å; L189-K228 PolarHBondContact N-O 3.18Å; L189-V229 CarbonylContact O-C 3.53Å; L189-V229 WeakPolarHBondContact O-CA 3.48Å; L189-M230 PolarHBondContact O-N 3.48Å; L189-Q263 HydrophobicContact CD1-CB 4.43Å
190	L	96.8	Very high	95.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.1	178	-172.9	141.9	0	0	0	110.1	M230 T232 T247 T250 L251 L254 I262 Q263 V264 M265	L190-M230 CarbonylContact C-O 3.55Å; L190-M230 WeakPolarHBondContact CA-O 3.24Å; L190-T232 HydrophobicContact CD1-CG2 3.82Å; L190-T232 HydrophobicContact CD2-CG2 4.3Å; L190-T232 WeakPolarHBondContact CD2-OG1 3.32Å; L190-T232 HydrophobicContact CG-CG2 4.05Å; L190-T247 HydrophobicContact CD2-CG2 4Å; L190-T250 HydrophobicContact CD1-CG2 4.04Å; L190-L251 HydrophobicContact CD1-CD2 3.77Å; L190-L251 HydrophobicContact CD1-CG 4.28Å; L190-L254 HydrophobicContact CD1-CD1 4.03Å; L190-I262 HydrophobicContact CB-CG2 4.11Å; L190-Q263 PolarHBondContact N-O 2.77Å; L190-V264 HydrophobicContact CB-CG2 4.35Å; L190-V264 HydrophobicContact CD2-CB 4.48Å; L190-V264 HydrophobicContact CD2-CG1 3.73Å; L190-V264 HydrophobicContact CD2-CG2 4.12Å; L190-V264 CarbonylContact O-C 3.6Å; L190-V264 VanDerWaalsContact O-CA 3.28Å; L190-V264 WeakPolarHBondContact O-CA 3.49Å; L190-M265 PolarHBondContact O-N 3.49Å
191	L	97.1	Very high	95.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	104.6	176.7	-55.8	-174.2	0	0	0	109.1	L189 Y193 T215 L218 V229 M230 M231 T232 M265 P267	L189-L191 HydrophobicContact CD1-CD2 4.32Å; L189-L191 HydrophobicContact CD2-CD2 4.07Å; L189-L191 HydrophobicContact CG-CD2 3.93Å; L191-Y193 HydrophobicContact CB-CE2 3.83Å; L191-T215 HydrophobicContact CD1-CG2 3.89Å; L191-L218 HydrophobicContact CD1-CD2 3.9Å; L191-L218 HydrophobicContact CD2-CD2 3.9Å; L191-V229 HydrophobicContact CD1-CG1 3.86Å; L191-V229 HydrophobicContact CG-CG1 4.04Å; L191-M230 PolarHBondContact N-O 2.91Å; L191-M231 WeakPolarHBondContact O-CA 3.32Å; L191-T232 PolarHBondContact O-N 3.05Å; L191-M265 WeakPolarHBondContact CA-O 3.33Å; L191-M265 HydrophobicContact CD2-CB 3.9Å; L191-M265 HydrophobicContact CD2-CG 4.3Å; L191-M265 HydrophobicContact CD2-SD 4.4Å; L191-P267 HydrophobicContact CB-CG 4.19Å; L191-P267 HydrophobicContact CD1-CG 4.49Å; L191-P267 HydrophobicContact CD2-CG 4.16Å
192	S	96.4	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.8	-177.4	-177	0	0	0	0	110.8	Q234 T247 M265 C266	S192-Q234 WeakPolarHBondContact OG-CB 3.12Å; S192-Q234 WeakPolarHBondContact OG-CG 3.46Å; S192-Q234 PolarHBondContact OG-OE1 3.32Å; S192-T247 PolarHBondContact OG-OG1 3.11Å; S192-M265 PolarHBondContact N-O 3.48Å; S192-C266 VanDerWaalsContact O-CA 3.26Å; S192-C266 WeakPolarHBondContact O-CA 3.19Å
193	Y	97	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	154.4	177.4	-64.7	-95.5	0	0	0	110.3	Q130 L191 G195 C211 T214 T215 M231 T232 F233 Q234 P267	Q130-Y193 HydrophobicContact CG-CE1 4.45Å; L191-Y193 HydrophobicContact CB-CE2 3.83Å; Y193-G195 PolarHBondContact O-N 3Å; Y193-C211 HydrophobicContact CD1-CB 3.89Å; Y193-C211 WeakPolarHBondContact CD1-SG 3.47Å; Y193-C211 HydrophobicContact CD2-CB 4.12Å; Y193-C211 HydrophobicContact CE1-CB 3.97Å; Y193-C211 HydrophobicContact CE2-CB 4.22Å; Y193-C211 HydrophobicContact CG-CB 3.96Å; Y193-C211 PolarHBondContact OH-O 3.43Å; Y193-T214 HydrophobicContact CE1-CG2 4.44Å; Y193-T214 WeakPolarHBondContact OH-CB 3.42Å; Y193-T214 WeakPolarHBondContact OH-CG2 3.42Å; Y193-T215 WeakPolarHBondContact CE2-OG1 3.34Å; Y193-T215 PolarHBondContact OH-N 3.11Å; Y193-T215 PolarHBondContact OH-OG1 3.17Å; Y193-M231 HydrophobicContact CD2-CG 3.75Å; Y193-M231 HydrophobicContact CD2-SD 4.35Å; Y193-M231 HydrophobicContact CE2-CG 3.68Å; Y193-M231 HydrophobicContact CE2-SD 4.15Å; Y193-T232 PolarHBondContact N-O 2.82Å; Y193-F233 CarbonylContact O-C 3.57Å; Y193-F233 WeakPolarHBondContact O-CA 3.47Å; Y193-Q234 WeakPolarHBondContact O-CG 3.39Å; Y193-Q234 PolarHBondContact O-N 2.7Å; Y193-P267 HydrophobicContact CD1-CB 4.47Å; Y193-P267 HydrophobicContact CE1-CB 3.68Å; Y193-P267 HydrophobicContact CE1-CG 3.96Å; Y193-P267 HydrophobicContact CE2-CG 4.31Å
194	H	95.3	Very high	96.2	Very high	57 Å²	57	38.2 Å²	38.2	26%	0.264	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	133.4	172.4	-164.2	-66	0	0	0	109.5	Y207 S235 F269	H194-Y207 PolarHBondContact N-OH 3.28Å; H194-Y207 WeakPolarHBondContact O-CE1 3.42Å; H194-Y207 VanDerWaalsContact O-CZ 3.29Å; H194-Y207 PolarHBondContact O-OH 3.07Å; H194-S235 VanDerWaalsContact NE2-CB 3.29Å; H194-S235 WeakPolarHBondContact NE2-CB 3.39Å; H194-F269 HydrophobicContact CB-CE1 4.46Å; H194-F269 HydrophobicContact CB-CE2 4.18Å; H194-F269 HydrophobicContact CB-CZ 3.7Å; H194-F269 AromaticContact CD2-CZ 3.78Å
195	G	95	Very high	96.4	Very high	2 Å²	2	37 Å²	37	2%	0.021	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-72.7	158.5	177.3	0	0	0	0	0	112.2	Y193 Q234 W242	Y193-G195 PolarHBondContact O-N 3Å; G195-Q234 WeakPolarHBondContact CA-O 3.04Å; G195-Q234 PolarHBondContact N-O 3.49Å; G195-W242 VanDerWaalsContact C-CE3 3.42Å; G195-W242 WeakPolarHBondContact O-CZ3 3.25Å
196	I	95.7	Very high	96.6	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.041	18%	0.184	C	C	.	.			trans	-132.7	162.6	164.2	60.1	170.5	0	0	0	108.2	Q198 D205 Y207 W242 L243	I196-Q198 PolarHBondContact O-N 2.97Å; I196-D205 HydrophobicContact CD1-CB 4.45Å; I196-Y207 HydrophobicContact CD1-CD1 3.77Å; I196-Y207 HydrophobicContact CD1-CG 4.21Å; I196-Y207 HydrophobicContact CG1-CD1 3.93Å; I196-Y207 HydrophobicContact CG1-CE1 4.49Å; I196-Y207 HydrophobicContact CG2-CD1 4.31Å; I196-Y207 HydrophobicContact CG2-CE1 4.38Å; I196-W242 WeakPolarHBondContact O-CA 3.42Å; I196-L243 HydrophobicContact CD1-CD1 4.11Å; I196-L243 HydrophobicContact CG1-CD1 3.41Å; I196-L243 VanDerWaalsContact CG1-CD1 3.41Å; I196-L243 HydrophobicContact CG1-CG 3.82Å; I196-L243 PolarHBondContact O-N 3.32Å
197	P	96.5	Very high	96.8	Very high	7 Å²	7	34.1 Å²	34.1	5%	0.045	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-52.1	133.9	170.1	-27.9	36.5	0	0	0	111.1	R199 Y200 E240 W242	P197-R199 PolarHBondContact O-N 3.36Å; P197-Y200 HydrophobicContact CB-CD1 4.32Å; P197-Y200 HydrophobicContact CB-CD2 4.48Å; P197-Y200 HydrophobicContact CB-CG 4.27Å; P197-Y200 HydrophobicContact CG-CD2 4.19Å; P197-Y200 HydrophobicContact CG-CE1 4.49Å; P197-Y200 HydrophobicContact CG-CE2 4.06Å; P197-Y200 HydrophobicContact CG-CG 4.45Å; P197-Y200 PolarHBondContact O-N 2.85Å; P197-E240 HydrophobicContact CB-CG 4.44Å; P197-E240 WeakPolarHBondContact CG-OE1 3.28Å; P197-W242 HydrophobicContact CG-CZ2 4.14Å
198	Q	97.4	Very high	97	Very high	59 Å²	59	29.9 Å²	29.9	28%	0.276	16%	0.163	S	C	.	.	H	α-helix	trans	-56.1	-36.8	178.6	177.5	62	59.2	0	0	110.8	I196 Y200 A201 D202 P241	I196-Q198 PolarHBondContact O-N 2.97Å; Q198-Y200 VanDerWaalsContact C-N 3.28Å; Q198-Y200 PolarHBondContact O-N 2.94Å; Q198-A201 WeakPolarHBondContact O-CB 3.45Å; Q198-A201 PolarHBondContact O-N 2.88Å; Q198-D202 PolarHBondContact NE2-OD1 3.33Å; Q198-D202 VanDerWaalsContact O-CG 3.31Å; Q198-D202 PolarHBondContact O-N 3.27Å; Q198-P241 HydrophobicContact CB-CB 4.35Å; Q198-P241 PolarHBondContact N-O 2.59Å
199	R	97	Very high	97.1	Very high	72 Å²	72	33.6 Å²	33.6	27%	0.272	18%	0.18	S	C	.	.	H	α-helix	trans	-55.6	-37.8	177.1	-177.9	174.6	59.6	80.3	-1.3	113.5	D39 P197 A201 D202 E203	D39-R199 VanDerWaalsContact CG-NH2 3.25Å; D39-R199 IonicContact OD1-CZ 3.5Å; D39-R199 IonicContact OD1-NH1 2.81Å; D39-R199 IonicContact OD1-NH2 3.73Å; D39-R199 PolarHBondContact OD1-NH2 3.07Å; D39-R199 IonicContact OD2-CZ 3.19Å; D39-R199 VanDerWaalsContact OD2-CZ 3.29Å; D39-R199 IonicContact OD2-NH1 3.94Å; D39-R199 PolarHBondContact OD2-NH1 2.85Å; D39-R199 IonicContact OD2-NH2 3.05Å; D39-R199 PolarHBondContact OD2-NH2 2.92Å; P197-R199 PolarHBondContact O-N 3.36Å; R199-A201 VanDerWaalsContact C-N 3.29Å; R199-A201 PolarHBondContact O-N 2.87Å; R199-D202 PolarHBondContact O-N 2.74Å; R199-E203 VanDerWaalsContact CD-OE1 3.24Å; R199-E203 WeakPolarHBondContact CD-OE1 3.3Å; R199-E203 HydrophobicContact CG-CG 4.15Å; R199-E203 WeakPolarHBondContact CG-OE1 3.38Å; R199-E203 IonicContact CZ-OE1 2.77Å; R199-E203 IonicContact NH1-OE1 3.84Å; R199-E203 PolarHBondContact NH1-OE1 2.94Å; R199-E203 IonicContact NH1-OE2 3.9Å; R199-E203 PolarHBondContact NH1-OE2 3.48Å; R199-E203 WeakPolarHBondContact O-CB 3.18Å; R199-E203 VanDerWaalsContact O-CG 3.29Å; R199-E203 WeakPolarHBondContact O-CG 3.46Å; R199-E203 PolarHBondContact O-N 3.45Å
200	Y	97.4	Very high	97.2	Very high	13 Å²	13	35.1 Å²	35.1	5%	0.051	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-38.9	178.2	-70.7	-1.7	0	0	0	111.2	V37 D39 P197 Q198 E203 G204 D205	V37-Y200 PolarHBondContact O-OH 3.4Å; D39-Y200 PolarHBondContact N-OH 3.4Å; P197-Y200 HydrophobicContact CB-CD1 4.32Å; P197-Y200 HydrophobicContact CB-CD2 4.48Å; P197-Y200 HydrophobicContact CB-CG 4.27Å; P197-Y200 HydrophobicContact CG-CD2 4.19Å; P197-Y200 HydrophobicContact CG-CE1 4.49Å; P197-Y200 HydrophobicContact CG-CE2 4.06Å; P197-Y200 HydrophobicContact CG-CG 4.45Å; P197-Y200 PolarHBondContact O-N 2.85Å; Q198-Y200 VanDerWaalsContact C-N 3.28Å; Q198-Y200 PolarHBondContact O-N 2.94Å; Y200-E203 PolarHBondContact O-N 3.24Å; Y200-G204 PolarHBondContact O-N 3.43Å; Y200-D205 WeakPolarHBondContact O-CB 3.4Å; Y200-D205 PolarHBondContact O-N 2.98Å
201	A	97.7	Very high	97.3	Very high	20 Å²	20	35.1 Å²	35.1	17%	0.165	19%	0.186	C	C	.	.	H	α-helix	trans	-67.3	-41.7	173.9	0	0	0	0	0	112.1	Q198 R199 E203 G204 D205 P208 L243	Q198-A201 WeakPolarHBondContact O-CB 3.45Å; Q198-A201 PolarHBondContact O-N 2.88Å; R199-A201 VanDerWaalsContact C-N 3.29Å; R199-A201 PolarHBondContact O-N 2.87Å; A201-E203 PolarHBondContact O-N 3.47Å; A201-G204 PolarHBondContact O-N 2.92Å; A201-G204 VanDerWaalsContact O-N 3.11Å; A201-D205 WeakPolarHBondContact CA-O 3.48Å; A201-P208 HydrophobicContact CB-CG 3.59Å; A201-L243 HydrophobicContact CB-CD2 3.94Å
202	D	97.9	Very high	97.4	Very high	118 Å²	118	40.6 Å²	40.6	63%	0.631	21%	0.206	S	C	*	.	H	α-helix	trans	-64.5	-31.2	178	-58.6	-18.2	0	0	0	112	Q198 R199 G204	Q198-D202 PolarHBondContact NE2-OD1 3.33Å; Q198-D202 VanDerWaalsContact O-CG 3.31Å; Q198-D202 PolarHBondContact O-N 3.27Å; R199-D202 PolarHBondContact O-N 2.74Å; D202-G204 VanDerWaalsContact C-N 3.3Å
203	E	97.2	Very high	97.5	Very high	128 Å²	128	41.8 Å²	41.8	60%	0.598	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	2.3	176.7	-69.8	172.8	-172.5	0	0	113.5	R199 Y200 A201	R199-E203 VanDerWaalsContact CD-OE1 3.24Å; R199-E203 WeakPolarHBondContact CD-OE1 3.3Å; R199-E203 HydrophobicContact CG-CG 4.15Å; R199-E203 WeakPolarHBondContact CG-OE1 3.38Å; R199-E203 IonicContact CZ-OE1 2.77Å; R199-E203 IonicContact NH1-OE1 3.84Å; R199-E203 PolarHBondContact NH1-OE1 2.94Å; R199-E203 IonicContact NH1-OE2 3.9Å; R199-E203 PolarHBondContact NH1-OE2 3.48Å; R199-E203 WeakPolarHBondContact O-CB 3.18Å; R199-E203 VanDerWaalsContact O-CG 3.29Å; R199-E203 WeakPolarHBondContact O-CG 3.46Å; R199-E203 PolarHBondContact O-N 3.45Å; Y200-E203 PolarHBondContact O-N 3.24Å; A201-E203 PolarHBondContact O-N 3.47Å
204	G	96.9	Very high	97.6	Very high	62 Å²	62	41.8 Å²	41.8	64%	0.639	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	112.1	7.5	168.5	0	0	0	0	0	116.5	Y200 A201 D202 D206	Y200-G204 PolarHBondContact O-N 3.43Å; A201-G204 PolarHBondContact O-N 2.92Å; A201-G204 VanDerWaalsContact O-N 3.11Å; D202-G204 VanDerWaalsContact C-N 3.3Å; G204-D206 PolarHBondContact O-N 2.9Å
205	D	98.2	Very high	97.7	Very high	9 Å²	9	40 Å²	40	5%	0.048	21%	0.207	C	C	.	.			trans	-68.3	115.6	166.8	-167.1	-21.1	0	0	0	110	S132 C133 I196 Y200 A201 Y207 P208	S132-D205 WeakPolarHBondContact CA-OD1 3.23Å; S132-D205 WeakPolarHBondContact CA-OD2 3.5Å; S132-D205 WeakPolarHBondContact CB-OD2 3.16Å; S132-D205 PolarHBondContact OG-OD2 3.35Å; C133-D205 PolarHBondContact N-OD2 3.13Å; C133-D205 PolarHBondContact SG-OD2 2.74Å; I196-D205 HydrophobicContact CD1-CB 4.45Å; Y200-D205 WeakPolarHBondContact O-CB 3.4Å; Y200-D205 PolarHBondContact O-N 2.98Å; A201-D205 WeakPolarHBondContact CA-O 3.48Å; D205-Y207 PolarHBondContact O-N 3.35Å; D205-Y207 WeakPolarHBondContact OD1-CB 3.39Å; D205-Y207 PolarHBondContact OD1-N 3.27Å; D205-P208 WeakPolarHBondContact O-CD 3.48Å
206	D	97.9	Very high	97.9	Very high	41 Å²	41	47.2 Å²	47.2	22%	0.219	23%	0.233	C	C	.	.			trans	-82.3	8.9	-177.9	70.2	-35.8	0	0	0	113.6	Y131 R160 G204 P208 Q209 R210	Y131-D206 WeakPolarHBondContact CD1-OD1 3.25Å; R160-D206 IonicContact CZ-OD1 3.29Å; R160-D206 IonicContact CZ-OD2 2.66Å; R160-D206 IonicContact NH1-OD1 3.58Å; R160-D206 IonicContact NH1-OD2 3.03Å; R160-D206 PolarHBondContact NH1-OD2 3.41Å; R160-D206 IonicContact NH2-OD1 2.82Å; R160-D206 PolarHBondContact NH2-OD1 3.4Å; R160-D206 IonicContact NH2-OD2 2.74Å; R160-D206 PolarHBondContact NH2-OD2 3.19Å; G204-D206 PolarHBondContact O-N 2.9Å; D206-P208 VanDerWaalsContact C-CD 3.41Å; D206-P208 VanDerWaalsContact C-N 3.35Å; D206-Q209 HydrophobicContact CB-CB 4.45Å; D206-Q209 WeakPolarHBondContact O-CA 3.41Å; D206-Q209 VanDerWaalsContact O-CB 3.3Å; D206-Q209 WeakPolarHBondContact O-CB 3.4Å; D206-Q209 PolarHBondContact O-N 2.9Å; D206-Q209 PolarHBondContact O-OE1 3.08Å; D206-R210 PolarHBondContact O-N 2.96Å
207	Y	98.7	Very high	98	Very high	12 Å²	12	49.4 Å²	49.4	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-47.1	-45.9	177.1	177.9	-109.1	0	0	0	114.5	Q130 Y131 H194 I196 D205 Q209 R210 C211 F233 L243	Q130-Y207 HydrophobicContact CB-CD2 3.77Å; Q130-Y207 HydrophobicContact CB-CE2 3.71Å; Y131-Y207 VanDerWaalsContact O-CA 3.26Å; Y131-Y207 WeakPolarHBondContact O-CA 3.36Å; Y131-Y207 VanDerWaalsContact O-CB 3.24Å; Y131-Y207 WeakPolarHBondContact O-CB 3.45Å; Y131-Y207 VanDerWaalsContact O-CD2 3.31Å; Y131-Y207 WeakPolarHBondContact O-CD2 3.35Å; H194-Y207 PolarHBondContact N-OH 3.28Å; H194-Y207 WeakPolarHBondContact O-CE1 3.42Å; H194-Y207 VanDerWaalsContact O-CZ 3.29Å; H194-Y207 PolarHBondContact O-OH 3.07Å; I196-Y207 HydrophobicContact CD1-CD1 3.77Å; I196-Y207 HydrophobicContact CD1-CG 4.21Å; I196-Y207 HydrophobicContact CG1-CD1 3.93Å; I196-Y207 HydrophobicContact CG1-CE1 4.49Å; I196-Y207 HydrophobicContact CG2-CD1 4.31Å; I196-Y207 HydrophobicContact CG2-CE1 4.38Å; D205-Y207 PolarHBondContact O-N 3.35Å; D205-Y207 WeakPolarHBondContact OD1-CB 3.39Å; D205-Y207 PolarHBondContact OD1-N 3.27Å; Y207-Q209 VanDerWaalsContact C-N 3.28Å; Y207-Q209 PolarHBondContact O-N 3.34Å; Y207-R210 PolarHBondContact O-N 3.19Å; Y207-R210 VanDerWaalsContact O-N 3.17Å; Y207-C211 VanDerWaalsContact CE2-SG 3.52Å; Y207-C211 PolarHBondContact O-N 2.95Å; Y207-C211 PolarHBondContact O-SG 2.86Å; Y207-F233 HydrophobicContact CE1-CD1 4.29Å; Y207-F233 AromaticContact CE1-CE1 3.97Å; Y207-F233 HydrophobicContact CE1-CE1 3.97Å; Y207-L243 HydrophobicContact CD1-CD1 3.84Å; Y207-L243 HydrophobicContact CE1-CD1 4.17Å
208	P	98.5	Very high	98.1	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.032	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-36.2	176.4	-17.9	28	0	0	0	113.1	A201 D205 D206 R212 L243	A201-P208 HydrophobicContact CB-CG 3.59Å; D205-P208 WeakPolarHBondContact O-CD 3.48Å; D206-P208 VanDerWaalsContact C-CD 3.41Å; D206-P208 VanDerWaalsContact C-N 3.35Å; P208-R212 WeakPolarHBondContact O-CB 3.41Å; P208-R212 WeakPolarHBondContact O-CG 3.36Å; P208-R212 PolarHBondContact O-N 2.88Å; P208-R212 PolarHBondContact O-NH1 3.41Å; P208-L243 HydrophobicContact CB-CD1 4.37Å; P208-L243 HydrophobicContact CB-CD2 4.48Å; P208-L243 HydrophobicContact CG-CD1 3.73Å; P208-L243 HydrophobicContact CG-CD2 3.73Å; P208-L243 HydrophobicContact CG-CG 4.41Å
209	Q	98.5	Very high	98.1	Very high	89 Å²	89	46.8 Å²	46.8	42%	0.416	23%	0.232	S	C	.	.	H	α-helix	trans	-68.4	-42.5	177.3	-69.4	64.9	15.8	0	0	109.8	D206 Y207 R212 T213	D206-Q209 HydrophobicContact CB-CB 4.45Å; D206-Q209 WeakPolarHBondContact O-CA 3.41Å; D206-Q209 VanDerWaalsContact O-CB 3.3Å; D206-Q209 WeakPolarHBondContact O-CB 3.4Å; D206-Q209 PolarHBondContact O-N 2.9Å; D206-Q209 PolarHBondContact O-OE1 3.08Å; Y207-Q209 VanDerWaalsContact C-N 3.28Å; Y207-Q209 PolarHBondContact O-N 3.34Å; Q209-R212 VanDerWaalsContact CG-NH2 3.28Å; Q209-R212 PolarHBondContact O-N 2.86Å; Q209-T213 WeakPolarHBondContact O-CB 3.35Å; Q209-T213 PolarHBondContact O-N 3.44Å; Q209-T213 PolarHBondContact O-OG1 3.31Å
210	R	98.5	Very high	98.2	Very high	36 Å²	36	47.6 Å²	47.6	14%	0.136	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-41.2	175.3	-57.9	-50.3	-72.1	152	-0.8	111.4	Q130 D161 A163 D164 D206 Y207 T213 T214	Q130-R210 HydrophobicContact CB-CB 3.8Å; Q130-R210 HydrophobicContact CG-CB 3.94Å; D161-R210 IonicContact OD1-CZ 3.58Å; D161-R210 VanDerWaalsContact OD1-CZ 3.27Å; D161-R210 IonicContact OD1-NE 3.06Å; D161-R210 PolarHBondContact OD1-NE 3.03Å; D161-R210 VanDerWaalsContact OD1-NE 3.12Å; D161-R210 IonicContact OD1-NH2 3.12Å; D161-R210 PolarHBondContact OD1-NH2 3.2Å; D161-R210 IonicContact OD2-CZ 3.01Å; D161-R210 IonicContact OD2-NE 2.91Å; D161-R210 PolarHBondContact OD2-NE 3.29Å; D161-R210 IonicContact OD2-NH2 2.91Å; A163-R210 HydrophobicContact CB-CB 4.03Å; D164-R210 VanDerWaalsContact CG-NH2 3.26Å; D164-R210 IonicContact OD1-NH2 2.7Å; D164-R210 PolarHBondContact OD1-NH2 3.12Å; D164-R210 IonicContact OD2-CZ 3.77Å; D164-R210 IonicContact OD2-NH1 3.29Å; D164-R210 PolarHBondContact OD2-NH1 3.06Å; D164-R210 IonicContact OD2-NH2 2.71Å; D164-R210 PolarHBondContact OD2-NH2 2.91Å; D164-R210 VanDerWaalsContact OD2-NH2 3.12Å; D206-R210 PolarHBondContact O-N 2.96Å; Y207-R210 PolarHBondContact O-N 3.19Å; Y207-R210 VanDerWaalsContact O-N 3.17Å; R210-T213 WeakPolarHBondContact O-CB 3.42Å; R210-T213 PolarHBondContact O-N 3.17Å; R210-T214 PolarHBondContact O-N 2.93Å; R210-T214 PolarHBondContact O-OG1 3.36Å
211	C	98.7	Very high	98.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-43.8	173.4	-63.1	0	0	0	0	112.8	Y193 Y207 T213 T214 T215 M231 F233	Y193-C211 HydrophobicContact CD1-CB 3.89Å; Y193-C211 WeakPolarHBondContact CD1-SG 3.47Å; Y193-C211 HydrophobicContact CD2-CB 4.12Å; Y193-C211 HydrophobicContact CE1-CB 3.97Å; Y193-C211 HydrophobicContact CE2-CB 4.22Å; Y193-C211 HydrophobicContact CG-CB 3.96Å; Y193-C211 PolarHBondContact OH-O 3.43Å; Y207-C211 VanDerWaalsContact CE2-SG 3.52Å; Y207-C211 PolarHBondContact O-N 2.95Å; Y207-C211 PolarHBondContact O-SG 2.86Å; C211-T213 VanDerWaalsContact C-N 3.26Å; C211-T213 PolarHBondContact O-N 2.95Å; C211-T214 PolarHBondContact O-N 3.01Å; C211-T215 WeakPolarHBondContact O-CB 3.4Å; C211-T215 PolarHBondContact O-N 3.3Å; C211-T215 PolarHBondContact O-OG1 3.18Å; C211-M231 HydrophobicContact CB-SD 3.86Å; C211-F233 HydrophobicContact CB-CE1 4.27Å; C211-F233 HydrophobicContact CB-CZ 4.37Å
212	R	98.5	Very high	98.2	Very high	114 Å²	114	48.9 Å²	48.9	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-36.6	174.3	-77.1	-170.3	-64.2	-87.1	6.3	111.9	P208 Q209 T215 R216 M231	P208-R212 WeakPolarHBondContact O-CB 3.41Å; P208-R212 WeakPolarHBondContact O-CG 3.36Å; P208-R212 PolarHBondContact O-N 2.88Å; P208-R212 PolarHBondContact O-NH1 3.41Å; Q209-R212 VanDerWaalsContact CG-NH2 3.28Å; Q209-R212 PolarHBondContact O-N 2.86Å; R212-T215 PolarHBondContact O-N 3.31Å; R212-R216 WeakPolarHBondContact O-CB 3.49Å; R212-R216 PolarHBondContact O-N 2.69Å; R212-M231 HydrophobicContact CG-CE 3.51Å; R212-M231 HydrophobicContact CG-SD 3.83Å
213	T	98.6	Very high	98.2	Very high	25 Å²	25	46.6 Å²	46.6	15%	0.153	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-54.1	177.1	-55	0	0	0	0	110.2	D164 Q209 R210 C211 T215 R216 E217	D164-T213 HydrophobicContact CB-CG2 3.71Å; Q209-T213 WeakPolarHBondContact O-CB 3.35Å; Q209-T213 PolarHBondContact O-N 3.44Å; Q209-T213 PolarHBondContact O-OG1 3.31Å; R210-T213 WeakPolarHBondContact O-CB 3.42Å; R210-T213 PolarHBondContact O-N 3.17Å; C211-T213 VanDerWaalsContact C-N 3.26Å; C211-T213 PolarHBondContact O-N 2.95Å; T213-T215 VanDerWaalsContact C-N 3.26Å; T213-T215 PolarHBondContact O-N 2.82Å; T213-R216 PolarHBondContact O-N 3.23Å; T213-R216 VanDerWaalsContact O-N 3.13Å; T213-E217 HydrophobicContact CG2-CG 4.29Å; T213-E217 WeakPolarHBondContact O-CG 3.36Å; T213-E217 PolarHBondContact O-N 2.94Å
214	T	98.7	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-55.4	-42.9	175.6	-59.6	0	0	0	0	112	Q130 A163 Y168 I169 L172 Y193 R210 C211 R216 E217 L218 P267	Q130-T214 PolarHBondContact NE2-OG1 2.91Å; A163-T214 WeakPolarHBondContact CA-OG1 3.49Å; A163-T214 WeakPolarHBondContact CB-OG1 3.49Å; A163-T214 WeakPolarHBondContact O-CA 3.44Å; A163-T214 WeakPolarHBondContact O-CB 3.4Å; A163-T214 PolarHBondContact O-OG1 3.11Å; Y168-T214 HydrophobicContact CE1-CG2 4.01Å; I169-T214 HydrophobicContact CD1-CG2 4.04Å; L172-T214 HydrophobicContact CD1-CG2 3.72Å; Y193-T214 HydrophobicContact CE1-CG2 4.44Å; Y193-T214 WeakPolarHBondContact OH-CB 3.42Å; Y193-T214 WeakPolarHBondContact OH-CG2 3.42Å; R210-T214 PolarHBondContact O-N 2.93Å; R210-T214 PolarHBondContact O-OG1 3.36Å; C211-T214 PolarHBondContact O-N 3.01Å; T214-R216 PolarHBondContact O-N 3.3Å; T214-E217 PolarHBondContact O-N 2.92Å; T214-L218 WeakPolarHBondContact O-CB 3.26Å; T214-L218 PolarHBondContact O-N 3.41Å; T214-P267 HydrophobicContact CG2-CB 3.99Å
215	T	98.7	Very high	98	Very high	19 Å²	19	40.1 Å²	40.1	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-47.8	177.4	-61.8	0	0	0	0	112	L191 Y193 C211 R212 T213 A219 V229 M231	L191-T215 HydrophobicContact CD1-CG2 3.89Å; Y193-T215 WeakPolarHBondContact CE2-OG1 3.34Å; Y193-T215 PolarHBondContact OH-N 3.11Å; Y193-T215 PolarHBondContact OH-OG1 3.17Å; C211-T215 WeakPolarHBondContact O-CB 3.4Å; C211-T215 PolarHBondContact O-N 3.3Å; C211-T215 PolarHBondContact O-OG1 3.18Å; R212-T215 PolarHBondContact O-N 3.31Å; T213-T215 VanDerWaalsContact C-N 3.26Å; T213-T215 PolarHBondContact O-N 2.82Å; T215-A219 VanDerWaalsContact O-CB 3.31Å; T215-A219 WeakPolarHBondContact O-CB 3.11Å; T215-A219 PolarHBondContact O-N 3.45Å; T215-V229 HydrophobicContact CG2-CG1 4.07Å; T215-M231 HydrophobicContact CG2-CB 4.25Å
216	R	98.2	Very high	97.7	Very high	154 Å²	154	44.7 Å²	44.7	58%	0.581	25%	0.252	S	S	*	.	H	α-helix	trans	-64.2	-48.2	179.5	178.7	177.9	61.7	90.7	4.8	111.7	R212 T213 T214 A219 S220	R212-R216 WeakPolarHBondContact O-CB 3.49Å; R212-R216 PolarHBondContact O-N 2.69Å; T213-R216 PolarHBondContact O-N 3.23Å; T213-R216 VanDerWaalsContact O-N 3.13Å; T214-R216 PolarHBondContact O-N 3.3Å; R216-A219 PolarHBondContact O-N 2.84Å; R216-S220 WeakPolarHBondContact O-CB 3.4Å; R216-S220 PolarHBondContact O-N 2.86Å
217	E	98.5	Very high	97.5	Very high	55 Å²	55	49.8 Å²	49.8	26%	0.257	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-40.5	-179.2	-63.3	-51.4	137.7	0	0	111.4	D164 I169 T213 T214 S220 A221	D164-E217 HydrophobicContact CB-CG 4.31Å; I169-E217 HydrophobicContact CD1-CB 3.72Å; I169-E217 HydrophobicContact CG1-CB 3.83Å; I169-E217 HydrophobicContact CG2-CB 4.22Å; T213-E217 HydrophobicContact CG2-CG 4.29Å; T213-E217 WeakPolarHBondContact O-CG 3.36Å; T213-E217 PolarHBondContact O-N 2.94Å; T214-E217 PolarHBondContact O-N 2.92Å; E217-S220 PolarHBondContact O-N 3.05Å; E217-A221 WeakPolarHBondContact O-CB 3.29Å; E217-A221 PolarHBondContact O-N 2.9Å
218	L	98.3	Very high	97.4	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-45.9	176	179.1	57.9	0	0	0	112	L172 A173 V176 L191 T214 S220 A221 L222 M265	L172-L218 HydrophobicContact CB-CD1 3.79Å; L172-L218 HydrophobicContact CB-CD2 4.2Å; L172-L218 HydrophobicContact CD1-CD2 4.16Å; A173-L218 HydrophobicContact CB-CD1 3.91Å; V176-L218 HydrophobicContact CG2-CD2 4.46Å; L191-L218 HydrophobicContact CD1-CD2 3.9Å; L191-L218 HydrophobicContact CD2-CD2 3.9Å; T214-L218 WeakPolarHBondContact O-CB 3.26Å; T214-L218 PolarHBondContact O-N 3.41Å; L218-S220 VanDerWaalsContact C-N 3.27Å; L218-S220 PolarHBondContact O-N 3.2Å; L218-A221 PolarHBondContact O-N 2.73Å; L218-L222 HydrophobicContact CD1-CD1 3.75Å; L218-L222 HydrophobicContact CD1-CG 3.99Å; L218-L222 HydrophobicContact CG-CD1 3.83Å; L218-L222 HydrophobicContact CG-CG 4.48Å; L218-L222 WeakPolarHBondContact O-CB 3.45Å; L218-L222 VanDerWaalsContact O-CG 3.28Å; L218-L222 WeakPolarHBondContact O-CG 3.34Å; L218-L222 PolarHBondContact O-N 3.43Å; L218-M265 HydrophobicContact CD2-SD 3.95Å
219	A	98.1	Very high	97.4	Very high	10 Å²	10	53.6 Å²	53.6	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-43	176.1	0	0	0	0	0	111.2	T215 R216 L222 G223 M224 V229	T215-A219 VanDerWaalsContact O-CB 3.31Å; T215-A219 WeakPolarHBondContact O-CB 3.11Å; T215-A219 PolarHBondContact O-N 3.45Å; R216-A219 PolarHBondContact O-N 2.84Å; A219-L222 PolarHBondContact O-N 2.67Å; A219-G223 PolarHBondContact O-N 2.76Å; A219-G223 VanDerWaalsContact O-N 3.1Å; A219-M224 PolarHBondContact O-N 3.39Å; A219-V229 HydrophobicContact CB-CB 4.33Å; A219-V229 HydrophobicContact CB-CG1 4.43Å; A219-V229 HydrophobicContact CB-CG2 3.94Å
220	S	98	Very high	97.3	Very high	89 Å²	89	52.2 Å²	52.2	62%	0.622	29%	0.286	S	S	*	.	H	α-helix	trans	-63.2	-46.6	175.6	-174.9	0	0	0	0	112.2	R216 E217 L218 L222 G223	R216-S220 WeakPolarHBondContact O-CB 3.4Å; R216-S220 PolarHBondContact O-N 2.86Å; E217-S220 PolarHBondContact O-N 3.05Å; L218-S220 VanDerWaalsContact C-N 3.27Å; L218-S220 PolarHBondContact O-N 3.2Å; S220-L222 PolarHBondContact O-N 2.98Å; S220-G223 PolarHBondContact O-N 2.83Å
221	A	98.2	Very high	97.3	Very high	31 Å²	31	52.2 Å²	52.2	26%	0.256	29%	0.288	S	S	.	.	H	α-helix	trans	-62.7	-31.8	178.3	0	0	0	0	0	112.6	I169 A173 R177 E217 L218 G223	I169-A221 HydrophobicContact CG2-CB 3.74Å; A173-A221 HydrophobicContact CB-CB 4.2Å; R177-A221 PolarHBondContact NH2-O 3.07Å; E217-A221 WeakPolarHBondContact O-CB 3.29Å; E217-A221 PolarHBondContact O-N 2.9Å; L218-A221 PolarHBondContact O-N 2.73Å; A221-G223 VanDerWaalsContact C-N 3.33Å
222	L	97.8	Very high	97.3	Very high	30 Å²	30	52.2 Å²	52.2	16%	0.157	29%	0.288	C	S	.	.	H	α-helix	trans	-81.6	-10.9	175.4	-67.1	167.8	0	0	0	113.4	A173 V176 R177 L189 L218 A219 S220 M224	A173-L222 HydrophobicContact CB-CD2 4.03Å; A173-L222 HydrophobicContact CB-CG 4.39Å; V176-L222 HydrophobicContact CB-CD1 4.09Å; V176-L222 HydrophobicContact CB-CD2 3.91Å; V176-L222 HydrophobicContact CG1-CD1 3.7Å; V176-L222 HydrophobicContact CG1-CD2 3.79Å; V176-L222 HydrophobicContact CG1-CG 4.42Å; V176-L222 HydrophobicContact CG2-CD1 4.16Å; R177-L222 HydrophobicContact CG-CD2 4.01Å; L189-L222 HydrophobicContact CD2-CD1 3.79Å; L218-L222 HydrophobicContact CD1-CD1 3.75Å; L218-L222 HydrophobicContact CD1-CG 3.99Å; L218-L222 HydrophobicContact CG-CD1 3.83Å; L218-L222 HydrophobicContact CG-CG 4.48Å; L218-L222 WeakPolarHBondContact O-CB 3.45Å; L218-L222 VanDerWaalsContact O-CG 3.28Å; L218-L222 WeakPolarHBondContact O-CG 3.34Å; L218-L222 PolarHBondContact O-N 3.43Å; A219-L222 PolarHBondContact O-N 2.67Å; S220-L222 PolarHBondContact O-N 2.98Å; L222-M224 HydrophobicContact CB-CB 4.33Å; L222-M224 HydrophobicContact CB-CG 3.78Å; L222-M224 HydrophobicContact CB-SD 4.11Å; L222-M224 HydrophobicContact CD1-SD 3.93Å; L222-M224 PolarHBondContact O-N 2.81Å
223	G	97	Very high	97.2	Very high	69 Å²	69	47 Å²	47	71%	0.711	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	23.8	-171.3	0	0	0	0	0	112.8	A219 S220 A221	A219-G223 PolarHBondContact O-N 2.76Å; A219-G223 VanDerWaalsContact O-N 3.1Å; S220-G223 PolarHBondContact O-N 2.83Å; A221-G223 VanDerWaalsContact C-N 3.33Å
224	M	96.5	Very high	96.9	Very high	20 Å²	20	46.1 Å²	46.1	10%	0.099	26%	0.263	C	S	.	.			trans	-86.4	139.1	-178.7	-72.5	-176.6	78.8	0	0	110.7	F180 L189 A219 L222 K228 V229	F180-M224 HydrophobicContact CE2-CE 4.38Å; F180-M224 HydrophobicContact CE2-SD 3.8Å; F180-M224 HydrophobicContact CZ-CE 4.21Å; F180-M224 HydrophobicContact CZ-SD 3.87Å; L189-M224 HydrophobicContact CB-CE 3.96Å; L189-M224 HydrophobicContact CB-SD 4.38Å; L189-M224 HydrophobicContact CD2-SD 3.97Å; A219-M224 PolarHBondContact O-N 3.39Å; L222-M224 HydrophobicContact CB-CB 4.33Å; L222-M224 HydrophobicContact CB-CG 3.78Å; L222-M224 HydrophobicContact CB-SD 4.11Å; L222-M224 HydrophobicContact CD1-SD 3.93Å; L222-M224 PolarHBondContact O-N 2.81Å; M224-K228 HydrophobicContact CE-CB 3.86Å; M224-K228 HydrophobicContact CE-CD 4.41Å; M224-V229 HydrophobicContact CB-CG2 3.86Å; M224-V229 HydrophobicContact CE-CG2 4.19Å; M224-V229 HydrophobicContact SD-CG2 4.17Å
225	A	94.5	Very high	96.4	Very high	35 Å²	35	46.8 Å²	46.8	29%	0.289	27%	0.267	S	S	.	.			trans	-65.5	140.1	174.2	0	0	0	0	0	110.3	E227 K228	A225-E227 HydrophobicContact CB-CG 4.26Å; A225-E227 WeakPolarHBondContact CB-OE1 3.3Å; A225-E227 WeakPolarHBondContact CB-OE2 3.41Å; A225-E227 PolarHBondContact O-N 3.34Å; A225-E227 VanDerWaalsContact O-N 3.1Å; A225-K228 WeakPolarHBondContact O-CB 3.32Å; A225-K228 PolarHBondContact O-N 2.93Å
226	P	91.3	Very high	95.9	Very high	105 Å²	105	50 Å²	50	68%	0.682	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-54.8	-31.3	-175.9	-27.3	35.2	0	0	0	114.3	K228 V229	P226-K228 VanDerWaalsContact C-N 3.25Å; P226-K228 PolarHBondContact O-N 3.37Å; P226-V229 PolarHBondContact O-N 3.04Å
227	E	93.7	Very high	95.3	Very high	148 Å²	148	44.7 Å²	44.7	69%	0.692	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-68.1	-21.2	177.2	63.8	-87.4	-158.7	0	0	114	A225	A225-E227 HydrophobicContact CB-CG 4.26Å; A225-E227 WeakPolarHBondContact CB-OE1 3.3Å; A225-E227 WeakPolarHBondContact CB-OE2 3.41Å; A225-E227 PolarHBondContact O-N 3.34Å; A225-E227 VanDerWaalsContact O-N 3.1Å
228	K	96.3	Very high	94.7	Very high	79 Å²	79	45.2 Å²	45.2	34%	0.343	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-89.2	-2.6	175.2	-71	-168.9	169	-170.5	0	113.1	E185 L189 M224 A225 P226	E185-K228 IonicContact OE1-NZ 3.57Å; E185-K228 PolarHBondContact OE1-NZ 3.19Å; L189-K228 PolarHBondContact N-O 3.18Å; M224-K228 HydrophobicContact CE-CB 3.86Å; M224-K228 HydrophobicContact CE-CD 4.41Å; A225-K228 WeakPolarHBondContact O-CB 3.32Å; A225-K228 PolarHBondContact O-N 2.93Å; P226-K228 VanDerWaalsContact C-N 3.25Å; P226-K228 PolarHBondContact O-N 3.37Å
229	V	97.9	Very high	94	Very high	17 Å²	17	57.2 Å²	57.2	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.6	-179.8	-174.2	0	0	0	0	109.7	L189 L191 T215 A219 M224 P226	L189-V229 CarbonylContact O-C 3.53Å; L189-V229 WeakPolarHBondContact O-CA 3.48Å; L191-V229 HydrophobicContact CD1-CG1 3.86Å; L191-V229 HydrophobicContact CG-CG1 4.04Å; T215-V229 HydrophobicContact CG2-CG1 4.07Å; A219-V229 HydrophobicContact CB-CB 4.33Å; A219-V229 HydrophobicContact CB-CG1 4.43Å; A219-V229 HydrophobicContact CB-CG2 3.94Å; M224-V229 HydrophobicContact CB-CG2 3.86Å; M224-V229 HydrophobicContact CE-CG2 4.19Å; M224-V229 HydrophobicContact SD-CG2 4.17Å; P226-V229 PolarHBondContact O-N 3.04Å
230	M	97.6	Very high	93.7	Very high	61 Å²	61	60.6 Å²	60.6	30%	0.3	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.1	-180	-172.9	170.9	-70.5	0	0	110.9	L188 L189 L190 L191 T232 T250 L254	L188-M230 HydrophobicContact CD1-CB 4.06Å; L188-M230 HydrophobicContact CD2-CB 4.03Å; L188-M230 HydrophobicContact CD2-CE 4.35Å; L188-M230 HydrophobicContact CD2-SD 4.29Å; L188-M230 HydrophobicContact CG-CB 4.3Å; L189-M230 PolarHBondContact O-N 3.48Å; L190-M230 CarbonylContact C-O 3.55Å; L190-M230 WeakPolarHBondContact CA-O 3.24Å; L191-M230 PolarHBondContact N-O 2.91Å; M230-T232 HydrophobicContact CG-CG2 4.31Å; M230-T250 HydrophobicContact SD-CG2 3.46Å; M230-T250 WeakPolarHBondContact SD-CG2 3.42Å; M230-L254 HydrophobicContact SD-CD1 4.38Å
231	M	98	Very high	93.6	Very high	35 Å²	35	60.6 Å²	60.6	17%	0.172	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.4	174.2	-176	-177.6	74.2	0	0	110.5	L191 Y193 C211 R212 T215 F233 P245	L191-M231 WeakPolarHBondContact O-CA 3.32Å; Y193-M231 HydrophobicContact CD2-CG 3.75Å; Y193-M231 HydrophobicContact CD2-SD 4.35Å; Y193-M231 HydrophobicContact CE2-CG 3.68Å; Y193-M231 HydrophobicContact CE2-SD 4.15Å; C211-M231 HydrophobicContact CB-SD 3.86Å; R212-M231 HydrophobicContact CG-CE 3.51Å; R212-M231 HydrophobicContact CG-SD 3.83Å; T215-M231 HydrophobicContact CG2-CB 4.25Å; M231-F233 HydrophobicContact CE-CE2 3.91Å; M231-F233 HydrophobicContact CE-CZ 3.93Å; M231-F233 HydrophobicContact SD-CZ 4.32Å; M231-P245 WeakPolarHBondContact O-CG 3.21Å
232	T	98	Very high	93.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	171.1	174.8	65	0	0	0	0	111.4	L190 L191 Y193 M230 P245 T247 T250	L190-T232 HydrophobicContact CD1-CG2 3.82Å; L190-T232 HydrophobicContact CD2-CG2 4.3Å; L190-T232 WeakPolarHBondContact CD2-OG1 3.32Å; L190-T232 HydrophobicContact CG-CG2 4.05Å; L191-T232 PolarHBondContact O-N 3.05Å; Y193-T232 PolarHBondContact N-O 2.82Å; M230-T232 HydrophobicContact CG-CG2 4.31Å; T232-P245 CarbonylContact C-O 3.56Å; T232-P245 WeakPolarHBondContact CA-O 3.38Å; T232-P245 WeakPolarHBondContact CB-O 3.17Å; T232-P245 HydrophobicContact CG2-CG 4.04Å; T232-T247 WeakPolarHBondContact CB-OG1 3.4Å; T232-T247 PolarHBondContact OG1-OG1 3.34Å; T232-T250 HydrophobicContact CG2-CG2 3.78Å
233	F	96.6	Very high	93.6	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.2	175.8	-61	-84.8	0	0	0	111.6	Y193 Y207 C211 M231 L243 M244 P245 Y246 T247	Y193-F233 CarbonylContact O-C 3.57Å; Y193-F233 WeakPolarHBondContact O-CA 3.47Å; Y207-F233 HydrophobicContact CE1-CD1 4.29Å; Y207-F233 AromaticContact CE1-CE1 3.97Å; Y207-F233 HydrophobicContact CE1-CE1 3.97Å; C211-F233 HydrophobicContact CB-CE1 4.27Å; C211-F233 HydrophobicContact CB-CZ 4.37Å; M231-F233 HydrophobicContact CE-CE2 3.91Å; M231-F233 HydrophobicContact CE-CZ 3.93Å; M231-F233 HydrophobicContact SD-CZ 4.32Å; F233-L243 HydrophobicContact CB-CB 4.19Å; F233-L243 WeakPolarHBondContact CB-O 3.38Å; F233-L243 HydrophobicContact CD1-CB 4Å; F233-L243 HydrophobicContact CD1-CD1 3.94Å; F233-L243 HydrophobicContact CD2-CB 3.61Å; F233-L243 HydrophobicContact CE1-CB 4.29Å; F233-L243 HydrophobicContact CE1-CD1 3.64Å; F233-L243 HydrophobicContact CE2-CB 3.92Å; F233-L243 HydrophobicContact CE2-CD1 4.39Å; F233-L243 HydrophobicContact CG-CB 3.66Å; F233-L243 HydrophobicContact CG-CD1 4.43Å; F233-L243 HydrophobicContact CZ-CB 4.25Å; F233-L243 HydrophobicContact CZ-CD1 3.89Å; F233-M244 WeakPolarHBondContact CE2-O 3.06Å; F233-P245 PolarHBondContact N-O 2.85Å; F233-Y246 WeakPolarHBondContact O-CA 3.24Å; F233-T247 PolarHBondContact O-N 3.01Å; F233-T247 PolarHBondContact O-OG1 3.38Å
234	Q	93.4	Very high	93.6	Very high	7 Å²	7	61.3 Å²	61.3	3%	0.033	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-177.2	178.2	59.1	-179.9	88.4	0	0	112.3	S192 Y193 G195 T247 C266 E275 I280	S192-Q234 WeakPolarHBondContact OG-CB 3.12Å; S192-Q234 WeakPolarHBondContact OG-CG 3.46Å; S192-Q234 PolarHBondContact OG-OE1 3.32Å; Y193-Q234 WeakPolarHBondContact O-CG 3.39Å; Y193-Q234 PolarHBondContact O-N 2.7Å; G195-Q234 WeakPolarHBondContact CA-O 3.04Å; G195-Q234 PolarHBondContact N-O 3.49Å; Q234-T247 PolarHBondContact N-OG1 3.41Å; Q234-C266 PolarHBondContact OE1-SG 3.37Å; Q234-E275 PolarHBondContact NE2-O 3.14Å; Q234-I280 HydrophobicContact CB-CD1 4.24Å; Q234-I280 VanDerWaalsContact OE1-CD1 3.28Å
235	S	88	Confident	93.7	Very high	14 Å²	14	63 Å²	63	10%	0.098	33%	0.328	C	S	.	.			trans	56.8	73.8	166.1	-45.5	0	0	0	0	114.2	H194 W242 E275 E279	H194-S235 VanDerWaalsContact NE2-CB 3.29Å; H194-S235 WeakPolarHBondContact NE2-CB 3.39Å; S235-W242 WeakPolarHBondContact O-CZ3 3.25Å; S235-E275 WeakPolarHBondContact OG-CG 3.24Å; S235-E279 VanDerWaalsContact CA-OE2 3.25Å; S235-E279 WeakPolarHBondContact CA-OE2 3.49Å; S235-E279 WeakPolarHBondContact CB-OE2 3.44Å; S235-E279 PolarHBondContact N-OE2 2.82Å; S235-E279 VanDerWaalsContact N-OE2 3.15Å; S235-E279 PolarHBondContact OG-OE2 3.19Å
236	R	87.5	Confident	93.7	Very high	86 Å²	86	62.6 Å²	62.6	33%	0.325	32%	0.319	S	S	.	.			trans	-97.5	144.7	179.6	-59.3	-179.9	-77	176	-4.6	112.2	W242 Y246 D248 E249	R236-W242 HydrophobicContact CB-CD2 4.17Å; R236-W242 HydrophobicContact CB-CE3 4.35Å; R236-W242 HydrophobicContact CB-CG 4.26Å; R236-W242 HydrophobicContact CG-CB 4.05Å; R236-W242 HydrophobicContact CG-CD2 4.31Å; R236-W242 HydrophobicContact CG-CE3 4.33Å; R236-W242 HydrophobicContact CG-CG 4.17Å; R236-Y246 VanDerWaalsContact CD-CE1 3.41Å; R236-Y246 HydrophobicContact CG-CD1 4.33Å; R236-Y246 HydrophobicContact CG-CE1 4.38Å; R236-D248 IonicContact CZ-OD1 2.83Å; R236-D248 IonicContact CZ-OD2 3.72Å; R236-D248 VanDerWaalsContact NH2-CG 3.28Å; R236-D248 IonicContact NH2-OD1 3.4Å; R236-D248 PolarHBondContact NH2-OD1 2.97Å; R236-D248 IonicContact NH2-OD2 3Å; R236-D248 PolarHBondContact NH2-OD2 3.44Å; R236-E249 IonicContact CZ-OE1 3.62Å; R236-E249 IonicContact NH1-OE1 2.87Å; R236-E249 PolarHBondContact NH1-OE1 2.99Å; R236-E249 IonicContact NH2-OE1 2.96Å; R236-E249 PolarHBondContact NH2-OE1 2.95Å
237	F	85.6	Confident	93.8	Very high	44 Å²	44	57.7 Å²	57.7	19%	0.193	29%	0.287	C	S	.	.			trans	-136	129.2	178.5	178.7	-104.4	0	0	0	113	W45 I53 R57 W242	W45-F237 AromaticContact CH2-CE1 3.78Å; W45-F237 HydrophobicContact CH2-CE1 3.78Å; W45-F237 HydrophobicContact CH2-CZ 4.08Å; W45-F237 HydrophobicContact CZ2-CE1 4.28Å; I53-F237 HydrophobicContact CD1-CZ 4.23Å; I53-F237 HydrophobicContact CG2-CZ 4.29Å; R57-F237 VanDerWaalsContact NH1-CE2 3.25Å; F237-W242 HydrophobicContact CB-CH2 3.83Å; F237-W242 HydrophobicContact CB-CZ2 3.57Å; F237-W242 VanDerWaalsContact N-CE2 3.34Å; F237-W242 VanDerWaalsContact O-CE2 3.27Å; F237-W242 VanDerWaalsContact O-CZ2 3.23Å; F237-W242 WeakPolarHBondContact O-CZ2 2.98Å; F237-W242 PolarHBondContact O-NE1 2.98Å
238	G	85.7	Confident	93.6	Very high	65 Å²	65	52.7 Å²	52.7	67%	0.67	27%	0.265	S	S	*	.	S	Bend	trans	88.7	-159.3	179.3	0	0	0	0	0	113.1
239	R	84.8	Confident	93.4	Very high	252 Å²	252	53.8 Å²	53.8	95%	0.951	27%	0.271	S	S	*	.	S	Bend	trans	-113.2	-10	-174.9	-63	-177.9	69.1	162.7	2.1	113.6
240	E	92	Very high	93.2	Very high	82 Å²	82	53.4 Å²	53.4	38%	0.383	27%	0.269	S	S	.	.	S	Bend	trans	-70.2	157.9	177.5	69.4	-174.7	151.5	0	0	110.6	P197	P197-E240 HydrophobicContact CB-CG 4.44Å; P197-E240 WeakPolarHBondContact CG-OE1 3.28Å
241	P	96	Very high	92.9	Very high	88 Å²	88	50.5 Å²	50.5	57%	0.571	25%	0.254	S	S	*	.			trans	-65	135.2	172.9	-21.5	34.2	0	0	0	111.9	Q198	Q198-P241 HydrophobicContact CB-CB 4.35Å; Q198-P241 PolarHBondContact N-O 2.59Å
242	W	97.2	Very high	92.5	Very high	25 Å²	25	54.5 Å²	54.5	10%	0.095	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-108.9	168.5	173.9	-77	48.8	0	0	0	109.2	G195 I196 P197 S235 R236 F237 M244 Y246	G195-W242 VanDerWaalsContact C-CE3 3.42Å; G195-W242 WeakPolarHBondContact O-CZ3 3.25Å; I196-W242 WeakPolarHBondContact O-CA 3.42Å; P197-W242 HydrophobicContact CG-CZ2 4.14Å; S235-W242 WeakPolarHBondContact O-CZ3 3.25Å; R236-W242 HydrophobicContact CB-CD2 4.17Å; R236-W242 HydrophobicContact CB-CE3 4.35Å; R236-W242 HydrophobicContact CB-CG 4.26Å; R236-W242 HydrophobicContact CG-CB 4.05Å; R236-W242 HydrophobicContact CG-CD2 4.31Å; R236-W242 HydrophobicContact CG-CE3 4.33Å; R236-W242 HydrophobicContact CG-CG 4.17Å; F237-W242 HydrophobicContact CB-CH2 3.83Å; F237-W242 HydrophobicContact CB-CZ2 3.57Å; F237-W242 VanDerWaalsContact N-CE2 3.34Å; F237-W242 VanDerWaalsContact O-CE2 3.27Å; F237-W242 VanDerWaalsContact O-CZ2 3.23Å; F237-W242 WeakPolarHBondContact O-CZ2 2.98Å; F237-W242 PolarHBondContact O-NE1 2.98Å; W242-M244 PolarHBondContact O-N 3Å; W242-Y246 HydrophobicContact CB-CE1 3.9Å; W242-Y246 PolarHBondContact N-OH 3.15Å; W242-Y246 WeakPolarHBondContact O-CE1 3.32Å; W242-Y246 PolarHBondContact O-OH 2.94Å
243	L	97.9	Very high	92.3	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.031	29%	0.285	C	S	.	.	S	Bend	trans	-53.3	136.1	174.5	-67.3	179.6	0	0	0	111.6	I196 A201 Y207 P208 F233 Y246	I196-L243 HydrophobicContact CD1-CD1 4.11Å; I196-L243 HydrophobicContact CG1-CD1 3.41Å; I196-L243 VanDerWaalsContact CG1-CD1 3.41Å; I196-L243 HydrophobicContact CG1-CG 3.82Å; I196-L243 PolarHBondContact O-N 3.32Å; A201-L243 HydrophobicContact CB-CD2 3.94Å; Y207-L243 HydrophobicContact CD1-CD1 3.84Å; Y207-L243 HydrophobicContact CE1-CD1 4.17Å; P208-L243 HydrophobicContact CB-CD1 4.37Å; P208-L243 HydrophobicContact CB-CD2 4.48Å; P208-L243 HydrophobicContact CG-CD1 3.73Å; P208-L243 HydrophobicContact CG-CD2 3.73Å; P208-L243 HydrophobicContact CG-CG 4.41Å; F233-L243 HydrophobicContact CB-CB 4.19Å; F233-L243 WeakPolarHBondContact CB-O 3.38Å; F233-L243 HydrophobicContact CD1-CB 4Å; F233-L243 HydrophobicContact CD1-CD1 3.94Å; F233-L243 HydrophobicContact CD2-CB 3.61Å; F233-L243 HydrophobicContact CE1-CB 4.29Å; F233-L243 HydrophobicContact CE1-CD1 3.64Å; F233-L243 HydrophobicContact CE2-CB 3.92Å; F233-L243 HydrophobicContact CE2-CD1 4.39Å; F233-L243 HydrophobicContact CG-CB 3.66Å; F233-L243 HydrophobicContact CG-CD1 4.43Å; F233-L243 HydrophobicContact CZ-CB 4.25Å; F233-L243 HydrophobicContact CZ-CD1 3.89Å; L243-Y246 VanDerWaalsContact O-CD1 3.23Å; L243-Y246 WeakPolarHBondContact O-CD1 3.23Å; L243-Y246 WeakPolarHBondContact O-CE1 3.41Å
244	M	97.2	Very high	92	Very high	115 Å²	115	57.6 Å²	57.6	57%	0.567	29%	0.286	S	S	*	.	S	Bend	trans	-115.8	158.8	-179.8	-76.5	-174.8	-61.3	0	0	110.5	F233 W242 Y246	F233-M244 WeakPolarHBondContact CE2-O 3.06Å; W242-M244 PolarHBondContact O-N 3Å; M244-Y246 HydrophobicContact CG-CD1 3.8Å; M244-Y246 HydrophobicContact CG-CD2 3.88Å; M244-Y246 HydrophobicContact CG-CE1 3.41Å; M244-Y246 VanDerWaalsContact CG-CE1 3.41Å; M244-Y246 HydrophobicContact CG-CE2 3.53Å; M244-Y246 HydrophobicContact CG-CG 4.08Å; M244-Y246 HydrophobicContact SD-CD2 4.23Å; M244-Y246 HydrophobicContact SD-CE2 3.62Å
245	P	97.7	Very high	91.7	Very high	56 Å²	56	58.5 Å²	58.5	36%	0.364	30%	0.297	S	S	.	.	S	Bend	cis	-76.7	147.8	2.9	31.7	-35.6	0	0	0	113.1	M231 T232 F233	M231-P245 WeakPolarHBondContact O-CG 3.21Å; T232-P245 CarbonylContact C-O 3.56Å; T232-P245 WeakPolarHBondContact CA-O 3.38Å; T232-P245 WeakPolarHBondContact CB-O 3.17Å; T232-P245 HydrophobicContact CG2-CG 4.04Å; F233-P245 PolarHBondContact N-O 2.85Å
246	Y	94.7	Very high	91.8	Very high	26 Å²	26	64.5 Å²	64.5	10%	0.102	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-78.2	131.6	-179.3	-54.7	-50.2	0	0	0	111.3	F233 R236 W242 L243 M244 D248 E249 T250	F233-Y246 WeakPolarHBondContact O-CA 3.24Å; R236-Y246 VanDerWaalsContact CD-CE1 3.41Å; R236-Y246 HydrophobicContact CG-CD1 4.33Å; R236-Y246 HydrophobicContact CG-CE1 4.38Å; W242-Y246 HydrophobicContact CB-CE1 3.9Å; W242-Y246 PolarHBondContact N-OH 3.15Å; W242-Y246 WeakPolarHBondContact O-CE1 3.32Å; W242-Y246 PolarHBondContact O-OH 2.94Å; L243-Y246 VanDerWaalsContact O-CD1 3.23Å; L243-Y246 WeakPolarHBondContact O-CD1 3.23Å; L243-Y246 WeakPolarHBondContact O-CE1 3.41Å; M244-Y246 HydrophobicContact CG-CD1 3.8Å; M244-Y246 HydrophobicContact CG-CD2 3.88Å; M244-Y246 HydrophobicContact CG-CE1 3.41Å; M244-Y246 VanDerWaalsContact CG-CE1 3.41Å; M244-Y246 HydrophobicContact CG-CE2 3.53Å; M244-Y246 HydrophobicContact CG-CG 4.08Å; M244-Y246 HydrophobicContact SD-CD2 4.23Å; M244-Y246 HydrophobicContact SD-CE2 3.62Å; Y246-D248 WeakPolarHBondContact CB-OD1 3.39Å; Y246-D248 PolarHBondContact O-N 2.77Å; Y246-E249 VanDerWaalsContact CD2-OE1 3.31Å; Y246-E249 WeakPolarHBondContact CD2-OE1 3.49Å; Y246-E249 WeakPolarHBondContact CD2-OE2 3.15Å; Y246-E249 PolarHBondContact O-N 3.1Å; Y246-T250 VanDerWaalsContact O-CB 3.24Å; Y246-T250 WeakPolarHBondContact O-CB 3.33Å; Y246-T250 PolarHBondContact O-N 2.94Å; Y246-T250 PolarHBondContact O-OG1 2.92Å
247	T	93.4	Very high	92	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-45.7	-174	-59.9	0	0	0	0	112.3	L190 S192 T232 F233 Q234 T250 L251 I280	L190-T247 HydrophobicContact CD2-CG2 4Å; S192-T247 PolarHBondContact OG-OG1 3.11Å; T232-T247 WeakPolarHBondContact CB-OG1 3.4Å; T232-T247 PolarHBondContact OG1-OG1 3.34Å; F233-T247 PolarHBondContact O-N 3.01Å; F233-T247 PolarHBondContact O-OG1 3.38Å; Q234-T247 PolarHBondContact N-OG1 3.41Å; T247-T250 PolarHBondContact O-N 2.84Å; T247-L251 HydrophobicContact CG2-CD1 3.79Å; T247-L251 HydrophobicContact CG2-CG 4.29Å; T247-L251 WeakPolarHBondContact O-CB 3.18Å; T247-L251 VanDerWaalsContact O-CG 3.24Å; T247-L251 WeakPolarHBondContact O-CG 3.28Å; T247-L251 PolarHBondContact O-N 3.21Å; T247-I280 HydrophobicContact CG2-CD1 3.79Å
248	D	90	Very high	92.2	Very high	43 Å²	43	68.5 Å²	68.5	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-45.8	-179.3	56.5	-17.2	0	0	0	112.9	R236 Y246 K252	R236-D248 IonicContact CZ-OD1 2.83Å; R236-D248 IonicContact CZ-OD2 3.72Å; R236-D248 VanDerWaalsContact NH2-CG 3.28Å; R236-D248 IonicContact NH2-OD1 3.4Å; R236-D248 PolarHBondContact NH2-OD1 2.97Å; R236-D248 IonicContact NH2-OD2 3Å; R236-D248 PolarHBondContact NH2-OD2 3.44Å; Y246-D248 WeakPolarHBondContact CB-OD1 3.39Å; Y246-D248 PolarHBondContact O-N 2.77Å; D248-K252 WeakPolarHBondContact O-CB 3.31Å; D248-K252 PolarHBondContact O-N 3.06Å; D248-K252 VanDerWaalsContact O-N 3.11Å
249	E	92.9	Very high	92.3	Very high	102 Å²	102	67.3 Å²	67.3	48%	0.477	34%	0.34	S	S	.	.	H	α-helix	trans	-68.4	-38.7	177.2	-67.8	172.1	-148	0	0	111.6	R236 Y246 K252 M253	R236-E249 IonicContact CZ-OE1 3.62Å; R236-E249 IonicContact NH1-OE1 2.87Å; R236-E249 PolarHBondContact NH1-OE1 2.99Å; R236-E249 IonicContact NH2-OE1 2.96Å; R236-E249 PolarHBondContact NH2-OE1 2.95Å; Y246-E249 VanDerWaalsContact CD2-OE1 3.31Å; Y246-E249 WeakPolarHBondContact CD2-OE1 3.49Å; Y246-E249 WeakPolarHBondContact CD2-OE2 3.15Å; Y246-E249 PolarHBondContact O-N 3.1Å; E249-K252 PolarHBondContact O-N 3.28Å; E249-M253 WeakPolarHBondContact O-CB 3.42Å; E249-M253 PolarHBondContact O-N 2.84Å
250	T	93.9	Very high	92.2	Very high	9 Å²	9	57.5 Å²	57.5	6%	0.055	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-47.6	177.3	-59.2	0	0	0	0	110.9	L190 M230 T232 Y246 T247 K252 M253 L254	L190-T250 HydrophobicContact CD1-CG2 4.04Å; M230-T250 HydrophobicContact SD-CG2 3.46Å; M230-T250 WeakPolarHBondContact SD-CG2 3.42Å; T232-T250 HydrophobicContact CG2-CG2 3.78Å; Y246-T250 VanDerWaalsContact O-CB 3.24Å; Y246-T250 WeakPolarHBondContact O-CB 3.33Å; Y246-T250 PolarHBondContact O-N 2.94Å; Y246-T250 PolarHBondContact O-OG1 2.92Å; T247-T250 PolarHBondContact O-N 2.84Å; T250-K252 VanDerWaalsContact C-N 3.35Å; T250-K252 PolarHBondContact O-N 2.85Å; T250-M253 HydrophobicContact CG2-CE 4.07Å; T250-M253 PolarHBondContact O-N 3.48Å; T250-L254 HydrophobicContact CG2-CD1 3.84Å; T250-L254 HydrophobicContact CG2-CG 4.24Å; T250-L254 WeakPolarHBondContact O-CB 3.42Å; T250-L254 VanDerWaalsContact O-CG 3.24Å; T250-L254 WeakPolarHBondContact O-CG 3.23Å; T250-L254 PolarHBondContact O-N 2.92Å
251	L	90.5	Very high	92.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-39.6	179.5	-73	175.8	0	0	0	112.2	L190 T247 L254 G255 I262 V264 N284 L288	L190-L251 HydrophobicContact CD1-CD2 3.77Å; L190-L251 HydrophobicContact CD1-CG 4.28Å; T247-L251 HydrophobicContact CG2-CD1 3.79Å; T247-L251 HydrophobicContact CG2-CG 4.29Å; T247-L251 WeakPolarHBondContact O-CB 3.18Å; T247-L251 VanDerWaalsContact O-CG 3.24Å; T247-L251 WeakPolarHBondContact O-CG 3.28Å; T247-L251 PolarHBondContact O-N 3.21Å; L251-L254 HydrophobicContact CD2-CD1 4.44Å; L251-L254 PolarHBondContact O-N 2.84Å; L251-G255 PolarHBondContact O-N 3.24Å; L251-I262 HydrophobicContact CD2-CD1 4.49Å; L251-I262 HydrophobicContact CD2-CG2 4.07Å; L251-V264 HydrophobicContact CD2-CG2 4.47Å; L251-N284 HydrophobicContact CD1-CB 3.54Å; L251-N284 VanDerWaalsContact CD1-CG 3.41Å; L251-L288 HydrophobicContact CB-CD2 3.97Å; L251-L288 HydrophobicContact CB-CG 4.1Å; L251-L288 HydrophobicContact CD2-CD1 4.06Å; L251-L288 HydrophobicContact CD2-CD2 3.8Å; L251-L288 HydrophobicContact CD2-CG 4.15Å; L251-L288 HydrophobicContact CG-CD2 4.45Å; L251-L288 VanDerWaalsContact O-CD2 3.32Å; L251-L288 WeakPolarHBondContact O-CD2 3.05Å
252	K	89.6	Confident	91.9	Very high	119 Å²	119	53.4 Å²	53.4	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-58.4	-50	171.7	179.6	-178.6	171.7	-173.5	0	111.3	D248 E249 T250 L254 G255 E256	D248-K252 WeakPolarHBondContact O-CB 3.31Å; D248-K252 PolarHBondContact O-N 3.06Å; D248-K252 VanDerWaalsContact O-N 3.11Å; E249-K252 PolarHBondContact O-N 3.28Å; T250-K252 VanDerWaalsContact C-N 3.35Å; T250-K252 PolarHBondContact O-N 2.85Å; K252-L254 VanDerWaalsContact C-N 3.34Å; K252-L254 PolarHBondContact O-N 3.01Å; K252-G255 PolarHBondContact O-N 2.91Å; K252-E256 WeakPolarHBondContact CE-OE1 3.34Å; K252-E256 WeakPolarHBondContact O-CG 3.39Å; K252-E256 PolarHBondContact O-N 2.83Å
253	M	93.2	Very high	91.8	Very high	59 Å²	59	53.2 Å²	53.2	29%	0.291	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-39.5	179.4	173.5	-81.5	-57.7	0	0	112.4	E249 T250 E256 K257	E249-M253 WeakPolarHBondContact O-CB 3.42Å; E249-M253 PolarHBondContact O-N 2.84Å; T250-M253 HydrophobicContact CG2-CE 4.07Å; T250-M253 PolarHBondContact O-N 3.48Å; M253-E256 PolarHBondContact O-N 3.19Å; M253-K257 WeakPolarHBondContact O-CG 3.5Å; M253-K257 PolarHBondContact O-N 2.76Å; M253-K257 HydrophobicContact SD-CD 3.5Å; M253-K257 WeakPolarHBondContact SD-CD 3.4Å; M253-K257 WeakPolarHBondContact SD-CE 3.33Å; M253-K257 HydrophobicContact SD-CG 4.22Å; M253-K257 PolarHBondContact SD-NZ 3.26Å
254	L	91.2	Very high	91.5	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.052	30%	0.304	C	S	.	.	H	α-helix	trans	-67.1	-39	176.4	-68.8	169.5	0	0	0	111.9	L188 L190 M230 T250 L251 K252 K257 G258 V259 I262	L188-L254 HydrophobicContact CD2-CD1 3.5Å; L188-L254 VanDerWaalsContact CD2-CD1 3.5Å; L188-L254 HydrophobicContact CD2-CD2 4.07Å; L188-L254 HydrophobicContact CD2-CG 4.45Å; L190-L254 HydrophobicContact CD1-CD1 4.03Å; M230-L254 HydrophobicContact SD-CD1 4.38Å; T250-L254 HydrophobicContact CG2-CD1 3.84Å; T250-L254 HydrophobicContact CG2-CG 4.24Å; T250-L254 WeakPolarHBondContact O-CB 3.42Å; T250-L254 VanDerWaalsContact O-CG 3.24Å; T250-L254 WeakPolarHBondContact O-CG 3.23Å; T250-L254 PolarHBondContact O-N 2.92Å; L251-L254 HydrophobicContact CD2-CD1 4.44Å; L251-L254 PolarHBondContact O-N 2.84Å; K252-L254 VanDerWaalsContact C-N 3.34Å; K252-L254 PolarHBondContact O-N 3.01Å; L254-K257 CarbonylContact O-C 3.47Å; L254-K257 PolarHBondContact O-N 3.26Å; L254-G258 PolarHBondContact O-N 2.67Å; L254-G258 VanDerWaalsContact O-N 3.12Å; L254-V259 HydrophobicContact CB-CB 4.3Å; L254-V259 HydrophobicContact CB-CG2 4.27Å; L254-V259 HydrophobicContact CD2-CG2 3.88Å; L254-V259 PolarHBondContact O-N 3.07Å; L254-I262 HydrophobicContact CB-CD1 3.75Å; L254-I262 HydrophobicContact CD1-CD1 3.89Å; L254-I262 HydrophobicContact CG-CD1 4.42Å
255	G	87.4	Confident	91.4	Very high	26 Å²	26	51.3 Å²	51.3	27%	0.268	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-42.8	172.4	0	0	0	0	0	112.3	L251 K252 K257 G258	L251-G255 PolarHBondContact O-N 3.24Å; K252-G255 PolarHBondContact O-N 2.91Å; G255-K257 VanDerWaalsContact C-N 3.3Å; G255-K257 PolarHBondContact O-N 3.39Å; G255-G258 PolarHBondContact O-N 2.94Å
256	E	90.4	Very high	91.3	Very high	141 Å²	141	49.7 Å²	49.7	66%	0.659	27%	0.274	S	S	*	.	H	α-helix	trans	-64	-33.3	174.5	-71.5	171.1	178.7	0	0	112.7	K252 M253 G258	K252-E256 WeakPolarHBondContact CE-OE1 3.34Å; K252-E256 WeakPolarHBondContact O-CG 3.39Å; K252-E256 PolarHBondContact O-N 2.83Å; M253-E256 PolarHBondContact O-N 3.19Å; E256-G258 VanDerWaalsContact C-N 3.26Å; E256-G258 PolarHBondContact O-N 3.38Å
257	K	90.4	Very high	91.3	Very high	153 Å²	153	48.5 Å²	48.5	67%	0.665	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.6	173.3	-73.3	-177	-178.1	171.7	0	114.1	M253 L254 G255 V259	M253-K257 WeakPolarHBondContact O-CG 3.5Å; M253-K257 PolarHBondContact O-N 2.76Å; M253-K257 HydrophobicContact SD-CD 3.5Å; M253-K257 WeakPolarHBondContact SD-CD 3.4Å; M253-K257 WeakPolarHBondContact SD-CE 3.33Å; M253-K257 HydrophobicContact SD-CG 4.22Å; M253-K257 PolarHBondContact SD-NZ 3.26Å; L254-K257 CarbonylContact O-C 3.47Å; L254-K257 PolarHBondContact O-N 3.26Å; G255-K257 VanDerWaalsContact C-N 3.3Å; G255-K257 PolarHBondContact O-N 3.39Å; K257-V259 HydrophobicContact CB-CG2 4.48Å
258	G	89.3	Confident	91.2	Very high	60 Å²	60	48.9 Å²	48.9	62%	0.619	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	25.5	178.4	0	0	0	0	0	114.6	L254 G255 E256 G260	L254-G258 PolarHBondContact O-N 2.67Å; L254-G258 VanDerWaalsContact O-N 3.12Å; G255-G258 PolarHBondContact O-N 2.94Å; E256-G258 VanDerWaalsContact C-N 3.26Å; E256-G258 PolarHBondContact O-N 3.38Å; G258-G260 PolarHBondContact O-N 3.22Å
259	V	88	Confident	91.2	Very high	40 Å²	40	49 Å²	49	24%	0.242	27%	0.272	C	S	.	.			trans	-66	115.6	170	-176.1	0	0	0	0	108.1	D187 L188 L254 K257 I262	D187-V259 HydrophobicContact CB-CG1 3.99Å; L188-V259 HydrophobicContact CB-CG1 4.3Å; L254-V259 HydrophobicContact CB-CB 4.3Å; L254-V259 HydrophobicContact CB-CG2 4.27Å; L254-V259 HydrophobicContact CD2-CG2 3.88Å; L254-V259 PolarHBondContact O-N 3.07Å; K257-V259 HydrophobicContact CB-CG2 4.48Å; V259-I262 HydrophobicContact CB-CD1 3.98Å; V259-I262 HydrophobicContact CB-CG1 4.36Å; V259-I262 HydrophobicContact CG1-CD1 3.79Å; V259-I262 HydrophobicContact CG1-CG1 3.63Å
260	G	82.4	Confident	90.9	Very high	46 Å²	46	45.7 Å²	45.7	47%	0.474	26%	0.263	S	S	.	.			trans	-83.2	-44.2	-161.6	0	0	0	0	0	114.1	D187 G258 M289	D187-G260 PolarHBondContact OD2-N 2.88Å; G258-G260 PolarHBondContact O-N 3.22Å; G260-M289 WeakPolarHBondContact O-CE 3.43Å
261	H	90.7	Very high	90.4	Very high	59 Å²	59	45.7 Å²	45.7	27%	0.273	26%	0.264	S	S	.	.			trans	-123.4	104.3	-176.8	-176.3	-161.9	0	0	0	110.7	H183 G184 E185 P186 D187 L188 Q263	H183-H261 PolarHBondContact O-CE1 3.47Å; G184-H261 PolarHBondContact O-CE1 3.47Å; E185-H261 PolarHBondContact O-ND1 2.74Å; E185-H261 VanDerWaalsContact O-ND1 3.11Å; P186-H261 WeakPolarHBondContact CA-ND1 3.38Å; P186-H261 WeakPolarHBondContact CB-O 3.45Å; D187-H261 WeakPolarHBondContact CB-O 3.19Å; D187-H261 PolarHBondContact N-O 3.48Å; D187-H261 PolarHBondContact OD2-N 3.36Å; L188-H261 PolarHBondContact N-O 2.77Å; H261-Q263 PolarHBondContact CE1-NE2 3Å; H261-Q263 VanDerWaalsContact CE1-NE2 3.28Å; H261-Q263 PolarHBondContact NE2-NE2 3.23Å
262	I	92.6	Very high	90.1	Very high	26 Å²	26	49 Å²	49	13%	0.133	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.8	176.8	-63	162.8	0	0	0	108.4	L188 L190 L251 L254 V259 V264 L288	L188-I262 HydrophobicContact CB-CG1 4.32Å; L188-I262 WeakPolarHBondContact O-CA 3.38Å; L190-I262 HydrophobicContact CB-CG2 4.11Å; L251-I262 HydrophobicContact CD2-CD1 4.49Å; L251-I262 HydrophobicContact CD2-CG2 4.07Å; L254-I262 HydrophobicContact CB-CD1 3.75Å; L254-I262 HydrophobicContact CD1-CD1 3.89Å; L254-I262 HydrophobicContact CG-CD1 4.42Å; V259-I262 HydrophobicContact CB-CD1 3.98Å; V259-I262 HydrophobicContact CB-CG1 4.36Å; V259-I262 HydrophobicContact CG1-CD1 3.79Å; V259-I262 HydrophobicContact CG1-CG1 3.63Å; I262-V264 HydrophobicContact CG2-CG2 4.23Å; I262-L288 HydrophobicContact CD1-CD2 3.64Å
263	Q	93.4	Very high	89.7	Confident	20 Å²	20	43.5 Å²	43.5	9%	0.093	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138	167.7	-72.7	-178.6	36.9	0	0	109.3	S179 G184 P186 L188 L189 L190 H261	S179-Q263 PolarHBondContact OG-OE1 3.31Å; G184-Q263 PolarHBondContact O-NE2 3.36Å; P186-Q263 HydrophobicContact CB-CB 4.13Å; P186-Q263 HydrophobicContact CB-CG 4.04Å; P186-Q263 HydrophobicContact CG-CB 4.21Å; P186-Q263 HydrophobicContact CG-CG 4.38Å; L188-Q263 PolarHBondContact O-N 3.3Å; L189-Q263 HydrophobicContact CD1-CB 4.43Å; L190-Q263 PolarHBondContact N-O 2.77Å; H261-Q263 PolarHBondContact CE1-NE2 3Å; H261-Q263 VanDerWaalsContact CE1-NE2 3.28Å; H261-Q263 PolarHBondContact NE2-NE2 3.23Å
264	V	93.1	Very high	89.1	Confident	49 Å²	49	41.4 Å²	41.4	30%	0.297	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.5	-178.2	-172.6	0	0	0	0	109.6	L190 L251 I262 I280	L190-V264 HydrophobicContact CB-CG2 4.35Å; L190-V264 HydrophobicContact CD2-CB 4.48Å; L190-V264 HydrophobicContact CD2-CG1 3.73Å; L190-V264 HydrophobicContact CD2-CG2 4.12Å; L190-V264 CarbonylContact O-C 3.6Å; L190-V264 VanDerWaalsContact O-CA 3.28Å; L190-V264 WeakPolarHBondContact O-CA 3.49Å; L251-V264 HydrophobicContact CD2-CG2 4.47Å; I262-V264 HydrophobicContact CG2-CG2 4.23Å; V264-I280 HydrophobicContact CB-CG2 3.86Å; V264-I280 HydrophobicContact CG1-CG2 3.53Å
265	M	93.9	Very high	88.3	Confident	32 Å²	32	42.8 Å²	42.8	16%	0.158	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.8	169.6	168.9	174.8	-87.7	0	0	109.1	L172 V176 L190 L191 S192 L218 P267	L172-M265 HydrophobicContact CB-SD 4.35Å; L172-M265 HydrophobicContact CD2-CE 4.48Å; L172-M265 HydrophobicContact CD2-SD 4.01Å; V176-M265 HydrophobicContact CB-CE 4.48Å; V176-M265 HydrophobicContact CG2-CE 3.36Å; V176-M265 HydrophobicContact CG2-SD 3.6Å; V176-M265 VanDerWaalsContact CG2-SD 3.6Å; L190-M265 PolarHBondContact O-N 3.49Å; L191-M265 WeakPolarHBondContact CA-O 3.33Å; L191-M265 HydrophobicContact CD2-CB 3.9Å; L191-M265 HydrophobicContact CD2-CG 4.3Å; L191-M265 HydrophobicContact CD2-SD 4.4Å; S192-M265 PolarHBondContact N-O 3.48Å; L218-M265 HydrophobicContact CD2-SD 3.95Å; M265-P267 HydrophobicContact CG-CG 4.03Å; M265-P267 WeakPolarHBondContact O-CD 3.49Å; M265-P267 HydrophobicContact SD-CG 4.37Å
266	C	95.3	Very high	87.6	Confident	22 Å²	22	42 Å²	42	15%	0.149	24%	0.244	C	C	.	.			trans	-116.4	79.9	178.1	-58.4	0	0	0	0	111.6	S192 Q234 G268 F269 T276	S192-C266 VanDerWaalsContact O-CA 3.26Å; S192-C266 WeakPolarHBondContact O-CA 3.19Å; Q234-C266 PolarHBondContact OE1-SG 3.37Å; C266-G268 PolarHBondContact O-N 2.83Å; C266-G268 VanDerWaalsContact O-N 3.1Å; C266-F269 HydrophobicContact CB-CD2 3.65Å; C266-F269 HydrophobicContact CB-CE2 4.1Å; C266-F269 PolarHBondContact O-N 3.21Å; C266-T276 HydrophobicContact CB-CG2 3.72Å
267	P	95.5	Very high	86.8	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.6	-174.9	-13.7	29.1	0	0	0	113.7	Q130 Y168 L172 L191 Y193 T214 M265 F269	Q130-P267 PolarHBondContact OE1-O 3.1Å; Y168-P267 PolarHBondContact OH-O 2.91Å; L172-P267 HydrophobicContact CD1-CB 3.96Å; L172-P267 HydrophobicContact CD2-CB 4.33Å; L191-P267 HydrophobicContact CB-CG 4.19Å; L191-P267 HydrophobicContact CD1-CG 4.49Å; L191-P267 HydrophobicContact CD2-CG 4.16Å; Y193-P267 HydrophobicContact CD1-CB 4.47Å; Y193-P267 HydrophobicContact CE1-CB 3.68Å; Y193-P267 HydrophobicContact CE1-CG 3.96Å; Y193-P267 HydrophobicContact CE2-CG 4.31Å; T214-P267 HydrophobicContact CG2-CB 3.99Å; M265-P267 HydrophobicContact CG-CG 4.03Å; M265-P267 WeakPolarHBondContact O-CD 3.49Å; M265-P267 HydrophobicContact SD-CG 4.37Å; P267-F269 PolarHBondContact O-N 3.48Å
268	G	92.5	Very high	86	Confident	9 Å²	9	31.1 Å²	31.1	9%	0.093	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.2	175	0	0	0	0	0	114.5	C266	C266-G268 PolarHBondContact O-N 2.83Å; C266-G268 VanDerWaalsContact O-N 3.1Å
269	F	88.8	Confident	85.3	Confident	45 Å²	45	30.6 Å²	30.6	20%	0.197	18%	0.178	C	C	.	.			trans	-123.3	115.4	-167.3	-56.5	-97.2	0	0	0	110.2	H194 C266 P267 A271 C273 E275 T276	H194-F269 HydrophobicContact CB-CE1 4.46Å; H194-F269 HydrophobicContact CB-CE2 4.18Å; H194-F269 HydrophobicContact CB-CZ 3.7Å; H194-F269 AromaticContact CD2-CZ 3.78Å; C266-F269 HydrophobicContact CB-CD2 3.65Å; C266-F269 HydrophobicContact CB-CE2 4.1Å; C266-F269 PolarHBondContact O-N 3.21Å; P267-F269 PolarHBondContact O-N 3.48Å; F269-A271 VanDerWaalsContact C-N 3.26Å; F269-C273 WeakPolarHBondContact CD1-SG 3.45Å; F269-C273 WeakPolarHBondContact CE1-SG 3.21Å; F269-E275 HydrophobicContact CE1-CB 4.01Å; F269-E275 HydrophobicContact CZ-CB 3.91Å; F269-T276 HydrophobicContact CB-CG2 4.01Å; F269-T276 HydrophobicContact CD1-CG2 4.12Å; F269-T276 HydrophobicContact CD2-CG2 3.73Å; F269-T276 HydrophobicContact CE1-CG2 4.5Å; F269-T276 HydrophobicContact CE2-CG2 4.13Å; F269-T276 HydrophobicContact CG-CG2 3.7Å; F269-T276 HydrophobicContact CZ-CG2 4.47Å
270	A	86.1	Confident	84.5	Confident	34 Å²	34	29.6 Å²	29.6	28%	0.281	17%	0.172	S	C	.	.	S	Bend	trans	-75.2	-19.4	173.3	0	0	0	0	0	112.3	Q83 L127	Q83-A270 PolarHBondContact NE2-O 3.19Å; L127-A270 HydrophobicContact CB-CB 4.04Å; L127-A270 HydrophobicContact CD2-CB 4.28Å; L127-A270 WeakPolarHBondContact O-CB 3.43Å
271	A	83.5	Confident	83.7	Confident	9 Å²	9	28.5 Å²	28.5	7%	0.074	16%	0.158	C	C	.	.	S	Bend	trans	-135.4	139.8	177.5	0	0	0	0	0	109.2	F269	F269-A271 VanDerWaalsContact C-N 3.26Å
272	D	84.2	Confident	82.2	Confident	68 Å²	68	30 Å²	30	36%	0.364	17%	0.165	S	C	.	.			trans	-60.6	144.5	174.5	-83.7	-38.3	0	0	0	111.2	P75 L76 Y79 T276 L277	P75-D272 CarbonylContact C-O 3.59Å; P75-D272 VanDerWaalsContact C-O 3.24Å; P75-D272 WeakPolarHBondContact CB-O 3.46Å; L76-D272 VanDerWaalsContact CA-O 3.27Å; L76-D272 WeakPolarHBondContact CA-O 3.47Å; L76-D272 PolarHBondContact N-O 3.11Å; Y79-D272 HydrophobicContact CD2-CB 3.81Å; Y79-D272 HydrophobicContact CE2-CB 3.66Å; D272-T276 WeakPolarHBondContact CA-OG1 3.47Å; D272-T276 WeakPolarHBondContact OD1-CB 3.24Å; D272-T276 PolarHBondContact OD1-OG1 2.88Å; D272-L277 HydrophobicContact CB-CD1 4.31Å; D272-L277 HydrophobicContact CB-CD2 4.41Å; D272-L277 HydrophobicContact CB-CG 4.25Å
273	C	82.8	Confident	80.6	Confident	4 Å²	4	31.4 Å²	31.4	3%	0.027	17%	0.171	C	C	.	.			trans	-145.8	-171	-175.6	62.6	0	0	0	0	110.5	L76 F269 E275 T276 L277	L76-C273 HydrophobicContact CB-CB 4.14Å; L76-C273 HydrophobicContact CD1-CB 4.09Å; F269-C273 WeakPolarHBondContact CD1-SG 3.45Å; F269-C273 WeakPolarHBondContact CE1-SG 3.21Å; C273-E275 PolarHBondContact O-N 2.86Å; C273-E275 PolarHBondContact SG-OE2 2.84Å; C273-T276 PolarHBondContact N-OG1 3.42Å; C273-T276 PolarHBondContact O-N 2.91Å; C273-T276 PolarHBondContact O-OG1 3.41Å; C273-L277 PolarHBondContact O-N 3.44Å; C273-L277 VanDerWaalsContact O-N 3.11Å
274	L	79.9	Confident	78.7	Confident	15 Å²	15	30.7 Å²	30.7	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-41.8	179.4	-179.9	65.8	0	0	0	110.9	V61 L64 Y65 V68 T276 E278	V61-L274 HydrophobicContact CG1-CD2 4.38Å; L64-L274 HydrophobicContact CB-CD1 3.67Å; L64-L274 HydrophobicContact CB-CD2 4.17Å; Y65-L274 HydrophobicContact CD2-CD2 4.13Å; Y65-L274 HydrophobicContact CE1-CB 4.26Å; Y65-L274 HydrophobicContact CE2-CD2 3.85Å; V68-L274 HydrophobicContact CG2-CD1 4.03Å; L274-T276 PolarHBondContact O-N 2.7Å; L274-E278 HydrophobicContact CD1-CB 3.77Å; L274-E278 HydrophobicContact CD1-CG 4.34Å; L274-E278 HydrophobicContact CG-CB 4.45Å; L274-E278 VanDerWaalsContact O-CB 3.28Å; L274-E278 WeakPolarHBondContact O-CB 3.46Å; L274-E278 PolarHBondContact O-N 2.96Å
275	E	74.6	Confident	77	Confident	39 Å²	39	34.6 Å²	34.6	18%	0.182	18%	0.177	C	C	.	.	I	π-helix	trans	-65.8	-35	-177.3	-64.1	76.1	-169.7	0	0	112.5	Q234 S235 F269 C273 E279 I280	Q234-E275 PolarHBondContact NE2-O 3.14Å; S235-E275 WeakPolarHBondContact OG-CG 3.24Å; F269-E275 HydrophobicContact CE1-CB 4.01Å; F269-E275 HydrophobicContact CZ-CB 3.91Å; C273-E275 PolarHBondContact O-N 2.86Å; C273-E275 PolarHBondContact SG-OE2 2.84Å; E275-E279 WeakPolarHBondContact O-CB 3.39Å; E275-I280 PolarHBondContact O-N 3.38Å
276	T	72.4	Confident	75.1	Confident	11 Å²	11	40.2 Å²	40.2	7%	0.067	20%	0.203	C	C	.	.	I	π-helix	trans	-82.7	-35.7	178.9	64.1	0	0	0	0	112.4	C266 F269 D272 C273 L274 I280 A281	C266-T276 HydrophobicContact CB-CG2 3.72Å; F269-T276 HydrophobicContact CB-CG2 4.01Å; F269-T276 HydrophobicContact CD1-CG2 4.12Å; F269-T276 HydrophobicContact CD2-CG2 3.73Å; F269-T276 HydrophobicContact CE1-CG2 4.5Å; F269-T276 HydrophobicContact CE2-CG2 4.13Å; F269-T276 HydrophobicContact CG-CG2 3.7Å; F269-T276 HydrophobicContact CZ-CG2 4.47Å; D272-T276 WeakPolarHBondContact CA-OG1 3.47Å; D272-T276 WeakPolarHBondContact OD1-CB 3.24Å; D272-T276 PolarHBondContact OD1-OG1 2.88Å; C273-T276 PolarHBondContact N-OG1 3.42Å; C273-T276 PolarHBondContact O-N 2.91Å; C273-T276 PolarHBondContact O-OG1 3.41Å; L274-T276 PolarHBondContact O-N 2.7Å; T276-I280 WeakPolarHBondContact O-CB 3.38Å; T276-A281 PolarHBondContact O-N 3.4Å
277	L	73.8	Confident	73.1	Confident	50 Å²	50	43.4 Å²	43.4	26%	0.262	21%	0.212	S	C	.	.	I	π-helix	trans	-88.5	-40.2	-175.2	-63.7	177.1	0	0	0	113.2	V68 P75 D272 C273 A281 E282	V68-L277 HydrophobicContact CB-CD1 4.31Å; V68-L277 HydrophobicContact CG1-CB 3.93Å; P75-L277 HydrophobicContact CB-CD1 3.83Å; P75-L277 HydrophobicContact CG-CD1 3.59Å; D272-L277 HydrophobicContact CB-CD1 4.31Å; D272-L277 HydrophobicContact CB-CD2 4.41Å; D272-L277 HydrophobicContact CB-CG 4.25Å; C273-L277 PolarHBondContact O-N 3.44Å; C273-L277 VanDerWaalsContact O-N 3.11Å; L277-A281 WeakPolarHBondContact O-CB 3.32Å; L277-A281 PolarHBondContact O-N 3.48Å; L277-E282 PolarHBondContact O-N 3.11Å
278	E	73.8	Confident	71	Confident	15 Å²	15	45.2 Å²	45.2	7%	0.07	22%	0.222	C	C	.	.	I	π-helix	trans	-90.5	-55.6	-177.5	-166.4	-80.7	154.7	0	0	111.1	L64 L274 I280 E282 Q283	L64-E278 HydrophobicContact CB-CG 4.49Å; L64-E278 HydrophobicContact CD2-CG 4.09Å; L274-E278 HydrophobicContact CD1-CB 3.77Å; L274-E278 HydrophobicContact CD1-CG 4.34Å; L274-E278 HydrophobicContact CG-CB 4.45Å; L274-E278 VanDerWaalsContact O-CB 3.28Å; L274-E278 WeakPolarHBondContact O-CB 3.46Å; L274-E278 PolarHBondContact O-N 2.96Å; E278-I280 PolarHBondContact O-N 3.05Å; E278-E282 WeakPolarHBondContact O-CA 3.31Å; E278-E282 WeakPolarHBondContact O-CB 3.5Å; E278-E282 PolarHBondContact O-N 3.12Å; E278-Q283 PolarHBondContact O-N 3.25Å; E278-Q283 WeakPolarHBondContact OE1-CG 3.41Å; E278-Q283 PolarHBondContact OE1-NE2 2.87Å; E278-Q283 PolarHBondContact OE2-NE2 2.88Å
279	E	74.3	Confident	69	Low	48 Å²	48	48.8 Å²	48.8	22%	0.224	24%	0.237	C	C	.	.	I	π-helix	trans	-67.5	-44.5	-174.9	-59.1	-172.9	175.2	0	0	112.1	S235 E275 N284	S235-E279 VanDerWaalsContact CA-OE2 3.25Å; S235-E279 WeakPolarHBondContact CA-OE2 3.49Å; S235-E279 WeakPolarHBondContact CB-OE2 3.44Å; S235-E279 PolarHBondContact N-OE2 2.82Å; S235-E279 VanDerWaalsContact N-OE2 3.15Å; S235-E279 PolarHBondContact OG-OE2 3.19Å; E275-E279 WeakPolarHBondContact O-CB 3.39Å; E279-N284 VanDerWaalsContact O-CG 3.31Å; E279-N284 PolarHBondContact O-N 3.41Å; E279-N284 PolarHBondContact O-ND2 3.23Å; E279-N284 VanDerWaalsContact O-ND2 3.14Å
280	I	70.9	Confident	67	Low	19 Å²	19	52.1 Å²	52.1	10%	0.097	26%	0.263	C	S	.	.	I	π-helix	trans	-84.1	-45.9	-178	-61.1	-53.2	0	0	0	112.4	Q234 T247 V264 E275 T276 E278 N284	Q234-I280 HydrophobicContact CB-CD1 4.24Å; Q234-I280 VanDerWaalsContact OE1-CD1 3.28Å; T247-I280 HydrophobicContact CG2-CD1 3.79Å; V264-I280 HydrophobicContact CB-CG2 3.86Å; V264-I280 HydrophobicContact CG1-CG2 3.53Å; E275-I280 PolarHBondContact O-N 3.38Å; T276-I280 WeakPolarHBondContact O-CB 3.38Å; E278-I280 PolarHBondContact O-N 3.05Å; I280-N284 VanDerWaalsContact CD1-ND2 3.3Å; I280-N284 WeakPolarHBondContact CD1-ND2 3.24Å; I280-N284 WeakPolarHBondContact O-CB 3.31Å
281	A	65.6	Low	64.7	Low	23 Å²	23	61.7 Å²	61.7	19%	0.19	29%	0.292	C	S	.	.	I	π-helix	trans	-81.4	-39.4	-175.7	0	0	0	0	0	112.4	T276 L277 R285	T276-A281 PolarHBondContact O-N 3.4Å; L277-A281 WeakPolarHBondContact O-CB 3.32Å; L277-A281 PolarHBondContact O-N 3.48Å; A281-R285 VanDerWaalsContact C-NH1 3.32Å; A281-R285 VanDerWaalsContact CB-NH1 3.32Å; A281-R285 WeakPolarHBondContact O-CD 3.4Å; A281-R285 WeakPolarHBondContact O-CG 3.48Å; A281-R285 VanDerWaalsContact O-CZ 3.31Å; A281-R285 PolarHBondContact O-NE 3.22Å; A281-R285 PolarHBondContact O-NH1 3.46Å
282	E	59.8	Low	62.4	Low	90 Å²	90	71.1 Å²	71.1	42%	0.421	33%	0.325	S	S	.	.	I	π-helix	trans	-92.9	-62.8	-175.3	-63	179.8	179.8	0	0	111.3	L277 E278 N284 R285	L277-E282 PolarHBondContact O-N 3.11Å; E278-E282 WeakPolarHBondContact O-CA 3.31Å; E278-E282 WeakPolarHBondContact O-CB 3.5Å; E278-E282 PolarHBondContact O-N 3.12Å; E282-N284 VanDerWaalsContact C-N 3.35Å; E282-N284 PolarHBondContact O-N 2.95Å; E282-R285 PolarHBondContact O-N 3.36Å
283	Q	57.6	Low	59.8	Low	57 Å²	57	75.5 Å²	75.5	27%	0.266	35%	0.349	S	S	.	.	I	π-helix	trans	-65.8	-36.2	-170.5	-57.2	-175.5	6.9	0	0	113.5	E278 E286 R287	E278-Q283 PolarHBondContact O-N 3.25Å; E278-Q283 WeakPolarHBondContact OE1-CG 3.41Å; E278-Q283 PolarHBondContact OE1-NE2 2.87Å; E278-Q283 PolarHBondContact OE2-NE2 2.88Å; Q283-E286 PolarHBondContact O-N 2.96Å; Q283-R287 VanDerWaalsContact CB-NH1 3.3Å; Q283-R287 WeakPolarHBondContact O-CG 3.36Å; Q283-R287 PolarHBondContact O-N 3.24Å
284	N	54.5	Low	57.4	Low	5 Å²	5	82.2 Å²	82.2	3%	0.027	38%	0.383	C	S	.	.	H	α-helix	trans	-80.2	-23.8	-175.2	-81.1	-25.2	0	0	0	113.7	L251 E279 I280 E282 E286 R287 L288	L251-N284 HydrophobicContact CD1-CB 3.54Å; L251-N284 VanDerWaalsContact CD1-CG 3.41Å; E279-N284 VanDerWaalsContact O-CG 3.31Å; E279-N284 PolarHBondContact O-N 3.41Å; E279-N284 PolarHBondContact O-ND2 3.23Å; E279-N284 VanDerWaalsContact O-ND2 3.14Å; I280-N284 VanDerWaalsContact CD1-ND2 3.3Å; I280-N284 WeakPolarHBondContact CD1-ND2 3.24Å; I280-N284 WeakPolarHBondContact O-CB 3.31Å; E282-N284 VanDerWaalsContact C-N 3.35Å; E282-N284 PolarHBondContact O-N 2.95Å; N284-E286 VanDerWaalsContact C-N 3.29Å; N284-E286 PolarHBondContact O-N 2.84Å; N284-R287 PolarHBondContact O-N 3.43Å; N284-R287 PolarHBondContact OD1-NH1 2.97Å; N284-L288 PolarHBondContact O-N 3.39Å; N284-L288 VanDerWaalsContact O-N 3.07Å
285	R	57.5	Low	54.9	Low	130 Å²	130	89.4 Å²	89.4	49%	0.491	42%	0.421	S	S	.	.	H	α-helix	trans	-61.4	-40.8	169.9	-76.6	-175.1	-178.4	117.7	-2.1	111.1	A281 E282 R287 M289	A281-R285 VanDerWaalsContact C-NH1 3.32Å; A281-R285 VanDerWaalsContact CB-NH1 3.32Å; A281-R285 WeakPolarHBondContact O-CD 3.4Å; A281-R285 WeakPolarHBondContact O-CG 3.48Å; A281-R285 VanDerWaalsContact O-CZ 3.31Å; A281-R285 PolarHBondContact O-NE 3.22Å; A281-R285 PolarHBondContact O-NH1 3.46Å; E282-R285 PolarHBondContact O-N 3.36Å; R285-R287 VanDerWaalsContact C-N 3.29Å; R285-R287 PolarHBondContact O-N 2.98Å; R285-M289 PolarHBondContact O-N 3.21Å
286	E	53.7	Low	52.7	Low	151 Å²	151	97.3 Å²	97.3	71%	0.706	45%	0.454	S	S	*	.	H	α-helix	trans	-64.4	-33.3	176.5	-60.8	-175.9	169.7	0	0	112.5	Q283 N284	Q283-E286 PolarHBondContact O-N 2.96Å; N284-E286 VanDerWaalsContact C-N 3.29Å; N284-E286 PolarHBondContact O-N 2.84Å
287	R	53.4	Low	51.7	Low	89 Å²	89	101.6 Å²	101.6	34%	0.336	47%	0.474	S	S	.	.	H	α-helix	trans	-77.5	-35.5	-178.8	-66.5	178.7	-172.1	113.1	5.9	113.5	Q283 N284 R285	Q283-R287 VanDerWaalsContact CB-NH1 3.3Å; Q283-R287 WeakPolarHBondContact O-CG 3.36Å; Q283-R287 PolarHBondContact O-N 3.24Å; N284-R287 PolarHBondContact O-N 3.43Å; N284-R287 PolarHBondContact OD1-NH1 2.97Å; R285-R287 VanDerWaalsContact C-N 3.29Å; R285-R287 PolarHBondContact O-N 2.98Å
288	L	51.5	Low	50.5	Low	39 Å²	39	104.3 Å²	104.3	20%	0.204	49%	0.485	C	S	.	.	H	α-helix	trans	-70.6	-39.4	-179.9	-80.3	165.5	0	0	0	112.9	L251 I262 N284	L251-L288 HydrophobicContact CB-CD2 3.97Å; L251-L288 HydrophobicContact CB-CG 4.1Å; L251-L288 HydrophobicContact CD2-CD1 4.06Å; L251-L288 HydrophobicContact CD2-CD2 3.8Å; L251-L288 HydrophobicContact CD2-CG 4.15Å; L251-L288 HydrophobicContact CG-CD2 4.45Å; L251-L288 VanDerWaalsContact O-CD2 3.32Å; L251-L288 WeakPolarHBondContact O-CD2 3.05Å; I262-L288 HydrophobicContact CD1-CD2 3.64Å; N284-L288 PolarHBondContact O-N 3.39Å; N284-L288 VanDerWaalsContact O-N 3.07Å
289	M	50.2	Low	49.2	Very low	84 Å²	84	109.3 Å²	109.3	41%	0.414	51%	0.508	S	S	.	.			trans	-142	75.6	-173	-65.5	-167.1	-175.7	0	0	111.6	G260 R285 R291 R292	G260-M289 WeakPolarHBondContact O-CE 3.43Å; R285-M289 PolarHBondContact O-N 3.21Å; M289-R291 PolarHBondContact O-N 3.47Å; M289-R292 HydrophobicContact CB-CB 4.44Å; M289-R292 HydrophobicContact SD-CB 3.8Å
290	P	46.7	Very low	47.8	Very low	114 Å²	114	112.9 Å²	112.9	74%	0.74	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-4.3	170.3	22.9	-31.3	0	0	0	113.4
291	R	38.1	Very low	46.3	Very low	236 Å²	236	118.8 Å²	118.8	89%	0.891	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.1	13	-174	-67.9	-168.4	176	178.6	-0.3	117.5	M289	M289-R291 PolarHBondContact O-N 3.47Å
292	R	35	Very low	45	Very low	206 Å²	206	125.1 Å²	125.1	78%	0.777	58%	0.575	S	S	*	*	S	Bend	trans	-140.2	145	178.8	-77.9	-171.9	174	-179.6	-1.6	114.3	M289	M289-R292 HydrophobicContact CB-CB 4.44Å; M289-R292 HydrophobicContact SD-CB 3.8Å
293	N	29.9	Very low	44	Very low	160 Å²	160	127.6 Å²	127.6	86%	0.856	59%	0.587	S	S	*	*			trans	-61.2	143.7	-171.2	-70.4	-32	0	0	0	114
294	I	31.7	Very low	42.9	Very low	145 Å²	145	133.1 Å²	133.1	74%	0.744	61%	0.611	S	S	*	*			trans	-70.1	129.1	-168.1	-55.8	164.3	0	0	0	112
295	L	27.8	Very low	42	Very low	167 Å²	167	143.8 Å²	143.8	87%	0.874	66%	0.66	S	S	*	*			trans	-118.7	126.7	161.3	-72.5	168.2	0	0	0	108.8
296	K	28	Very low	40.5	Very low	204 Å²	204	145 Å²	145	89%	0.887	68%	0.675	S	S	*	*			trans	-81.3	0	177.4	-75.6	-172.5	177.9	-176.3	0	111	H183	H183-K296 PolarHBondContact CE1-O 3.43Å; H183-K296 PolarHBondContact CE1-OXT 3.36Å; H183-K296 PolarHBondContact ND1-O 3.07Å

Retrieved 296 of 296 residues in 287.8 ms (Link to these results)

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