G4LZG1_SCHMA Loading...

Short chain dehydrogenase,putative

AlphaFold DB , UniProt , Accession G4LZG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 338 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	52.4	Low	53.7	Low	194 Å²	194	123 Å²	123	96%	0.956	64%	0.643	S	S	*	*				0	-35.7	0	-92	-176.7	-73.3	0	0	112	Q3 L4 Y5	M1-Q3 PolarHBondContact O-N 3.42Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-L4 VanDerWaalsContact O-N 3.12Å; M1-Y5 PolarHBondContact O-N 3.32Å
2	D	60.9	Low	53.5	Low	138 Å²	138	124.9 Å²	124.9	74%	0.738	64%	0.643	S	S	*	*	H	α-helix	trans	-61.5	-35.8	-174.5	-56.1	-23	0	0	0	115.3	L4 Y5 S6	D2-L4 VanDerWaalsContact C-N 3.3Å; D2-L4 PolarHBondContact O-N 3.13Å; D2-Y5 PolarHBondContact O-N 3.4Å; D2-S6 PolarHBondContact O-N 3.38Å; D2-S6 VanDerWaalsContact O-N 3.13Å
3	Q	55.2	Low	53.5	Low	177 Å²	177	123.6 Å²	123.6	83%	0.827	64%	0.637	S	S	*	*	H	α-helix	trans	-66.6	-30.5	176.8	-73.9	-165.2	-12.9	0	0	113.3	M1 F7	M1-Q3 PolarHBondContact O-N 3.42Å; Q3-F7 PolarHBondContact O-N 3.03Å
4	L	52.5	Low	54.1	Low	133 Å²	133	119.4 Å²	119.4	70%	0.696	62%	0.622	S	S	*	*	H	α-helix	trans	-72.9	-39.5	179.1	-145.8	88.7	0	0	0	110.8	M1 D2 F7 V8	M1-L4 PolarHBondContact O-N 3.12Å; M1-L4 VanDerWaalsContact O-N 3.12Å; D2-L4 VanDerWaalsContact C-N 3.3Å; D2-L4 PolarHBondContact O-N 3.13Å; L4-F7 PolarHBondContact O-N 3.17Å; L4-V8 VanDerWaalsContact O-CG2 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 3.28Å; L4-V8 PolarHBondContact O-N 3.35Å
5	Y	52.3	Low	54.5	Low	177 Å²	177	115.7 Å²	115.7	69%	0.694	61%	0.608	S	S	*	*	H	α-helix	trans	-64.8	-39.4	175.3	-85.8	-81.8	0	0	0	112.3	M1 D2 F7 S9	M1-Y5 PolarHBondContact O-N 3.32Å; D2-Y5 PolarHBondContact O-N 3.4Å; Y5-F7 VanDerWaalsContact C-N 3.34Å; Y5-F7 PolarHBondContact O-N 2.96Å; Y5-S9 WeakPolarHBondContact O-CB 3.22Å; Y5-S9 PolarHBondContact O-N 3.19Å
6	S	55.5	Low	55.4	Low	78 Å²	78	118.5 Å²	118.5	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-64.8	-38.8	176.4	-163.3	0	0	0	0	112	D2 V10	D2-S6 PolarHBondContact O-N 3.38Å; D2-S6 VanDerWaalsContact O-N 3.13Å; S6-V10 VanDerWaalsContact O-CG2 3.22Å; S6-V10 WeakPolarHBondContact O-CG2 3.37Å; S6-V10 PolarHBondContact O-N 3.48Å
7	F	54.4	Low	56.4	Low	157 Å²	157	118.8 Å²	118.8	69%	0.689	61%	0.61	S	S	*	*	H	α-helix	trans	-70.7	-42.4	179.6	-150.9	-93.7	0	0	0	111.9	Q3 L4 Y5 V10 C11	Q3-F7 PolarHBondContact O-N 3.03Å; L4-F7 PolarHBondContact O-N 3.17Å; Y5-F7 VanDerWaalsContact C-N 3.34Å; Y5-F7 PolarHBondContact O-N 2.96Å; F7-V10 PolarHBondContact O-N 3.44Å; F7-C11 PolarHBondContact O-N 3.12Å; F7-C11 PolarHBondContact O-SG 3.24Å; F7-C11 VanDerWaalsContact O-SG 3.32Å
8	V	52.9	Low	57.3	Low	69 Å²	69	122 Å²	122	42%	0.418	61%	0.613	S	S	.	*	H	α-helix	trans	-65.3	-40	177.1	174.5	0	0	0	0	111.2	L4 V10 C11 F12	L4-V8 VanDerWaalsContact O-CG2 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 3.28Å; L4-V8 PolarHBondContact O-N 3.35Å; V8-V10 VanDerWaalsContact C-N 3.34Å; V8-V10 PolarHBondContact O-N 3.18Å; V8-C11 WeakPolarHBondContact O-CB 3.49Å; V8-C11 PolarHBondContact O-N 3.49Å; V8-F12 HydrophobicContact CG1-CD2 3.8Å; V8-F12 HydrophobicContact CG1-CE2 3.46Å; V8-F12 VanDerWaalsContact CG1-CE2 3.46Å; V8-F12 WeakPolarHBondContact O-CD2 3.14Å; V8-F12 PolarHBondContact O-N 3.43Å; V8-F12 VanDerWaalsContact O-N 3.08Å
9	S	51.6	Low	58.3	Low	71 Å²	71	120.8 Å²	120.8	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-65.9	-33.9	176.7	-162.5	0	0	0	0	112.9	Y5 F12 L13	Y5-S9 WeakPolarHBondContact O-CB 3.22Å; Y5-S9 PolarHBondContact O-N 3.19Å; S9-F12 PolarHBondContact O-N 2.75Å; S9-L13 WeakPolarHBondContact O-CG 3.49Å; S9-L13 PolarHBondContact O-N 3.24Å
10	V	52.9	Low	59.2	Low	88 Å²	88	119.7 Å²	119.7	53%	0.533	61%	0.607	S	S	.	*	H	α-helix	trans	-70.9	-36.1	174	173.4	0	0	0	0	111.1	S6 F7 V8 F12 L13 C14	S6-V10 VanDerWaalsContact O-CG2 3.22Å; S6-V10 WeakPolarHBondContact O-CG2 3.37Å; S6-V10 PolarHBondContact O-N 3.48Å; F7-V10 PolarHBondContact O-N 3.44Å; V8-V10 VanDerWaalsContact C-N 3.34Å; V8-V10 PolarHBondContact O-N 3.18Å; V10-F12 VanDerWaalsContact C-N 3.31Å; V10-F12 PolarHBondContact O-N 3.1Å; V10-L13 PolarHBondContact O-N 3.12Å; V10-C14 PolarHBondContact O-N 3.32Å; V10-C14 VanDerWaalsContact O-N 3.14Å
11	C	50.3	Low	60.1	Low	71 Å²	71	117.9 Å²	117.9	48%	0.48	60%	0.602	S	S	.	*	H	α-helix	trans	-64.8	-32.1	173.5	-70.1	0	0	0	0	112.9	F7 V8 C14 P15	F7-C11 PolarHBondContact O-N 3.12Å; F7-C11 PolarHBondContact O-SG 3.24Å; F7-C11 VanDerWaalsContact O-SG 3.32Å; V8-C11 WeakPolarHBondContact O-CB 3.49Å; V8-C11 PolarHBondContact O-N 3.49Å; C11-C14 WeakPolarHBondContact O-CB 3.36Å; C11-P15 WeakPolarHBondContact O-CD 3.23Å
12	F	51.6	Low	61.3	Low	146 Å²	146	111 Å²	111	64%	0.64	58%	0.575	S	S	*	*	H	α-helix	trans	-76.2	-25.9	174	-77.8	-69.6	0	0	0	113.8	V8 S9 V10 P15 Y16	V8-F12 HydrophobicContact CG1-CD2 3.8Å; V8-F12 HydrophobicContact CG1-CE2 3.46Å; V8-F12 VanDerWaalsContact CG1-CE2 3.46Å; V8-F12 WeakPolarHBondContact O-CD2 3.14Å; V8-F12 PolarHBondContact O-N 3.43Å; V8-F12 VanDerWaalsContact O-N 3.08Å; S9-F12 PolarHBondContact O-N 2.75Å; V10-F12 VanDerWaalsContact C-N 3.31Å; V10-F12 PolarHBondContact O-N 3.1Å; F12-P15 WeakPolarHBondContact O-CD 3.36Å; F12-P15 WeakPolarHBondContact O-CG 3.48Å; F12-Y16 WeakPolarHBondContact O-CD2 3.38Å; F12-Y16 WeakPolarHBondContact O-CE2 3.36Å
13	L	53.2	Low	62.1	Low	108 Å²	108	108 Å²	108	57%	0.565	56%	0.562	S	S	*	*	H	α-helix	trans	-74.4	-27.2	171.9	-73.1	163.4	0	0	0	112.7	S9 V10 Y16 M17	S9-L13 WeakPolarHBondContact O-CG 3.49Å; S9-L13 PolarHBondContact O-N 3.24Å; V10-L13 PolarHBondContact O-N 3.12Å; L13-Y16 PolarHBondContact O-N 3.01Å; L13-M17 PolarHBondContact O-N 3.49Å
14	C	61.7	Low	63.1	Low	64 Å²	64	101 Å²	101	43%	0.432	54%	0.537	S	S	.	.	H	α-helix	trans	-59.5	-45.6	-177.1	-163.9	0	0	0	0	115.1	V10 C11 Y16 M17 W18	V10-C14 PolarHBondContact O-N 3.32Å; V10-C14 VanDerWaalsContact O-N 3.14Å; C11-C14 WeakPolarHBondContact O-CB 3.36Å; C14-Y16 VanDerWaalsContact C-N 3.35Å; C14-Y16 PolarHBondContact O-N 3.36Å; C14-M17 PolarHBondContact O-N 3.42Å; C14-W18 PolarHBondContact O-N 3.32Å
15	P	60.8	Low	64.4	Low	64 Å²	64	96.8 Å²	96.8	42%	0.416	52%	0.522	S	S	.	.	H	α-helix	trans	-65.5	-34.1	177.2	22.1	-32.1	0	0	0	113.2	C11 F12 M17 W18 I19	C11-P15 WeakPolarHBondContact O-CD 3.23Å; F12-P15 WeakPolarHBondContact O-CD 3.36Å; F12-P15 WeakPolarHBondContact O-CG 3.48Å; P15-M17 VanDerWaalsContact C-N 3.35Å; P15-M17 PolarHBondContact O-N 3.45Å; P15-W18 PolarHBondContact O-N 3.26Å; P15-I19 WeakPolarHBondContact O-CG1 3.45Å; P15-I19 PolarHBondContact O-N 3.16Å; P15-I19 VanDerWaalsContact O-N 3.09Å
16	Y	68.4	Low	65.4	Low	161 Å²	161	90.8 Å²	90.8	63%	0.631	50%	0.501	S	S	*	.	H	α-helix	trans	-66	-37.1	177.2	-65.7	-76.2	0	0	0	112.2	F12 L13 C14 I19 V20	F12-Y16 WeakPolarHBondContact O-CD2 3.38Å; F12-Y16 WeakPolarHBondContact O-CE2 3.36Å; L13-Y16 PolarHBondContact O-N 3.01Å; C14-Y16 VanDerWaalsContact C-N 3.35Å; C14-Y16 PolarHBondContact O-N 3.36Å; Y16-I19 PolarHBondContact O-N 2.77Å; Y16-V20 WeakPolarHBondContact O-CG2 3.06Å; Y16-V20 PolarHBondContact O-N 3.22Å
17	M	72.9	Confident	66.1	Low	124 Å²	124	93.6 Å²	93.6	61%	0.611	50%	0.501	S	S	*	.	H	α-helix	trans	-62.3	-42.9	175.1	-73.5	-64.1	-66.2	0	0	112.1	L13 C14 P15 I19 V20 V21	L13-M17 PolarHBondContact O-N 3.49Å; C14-M17 PolarHBondContact O-N 3.42Å; P15-M17 VanDerWaalsContact C-N 3.35Å; P15-M17 PolarHBondContact O-N 3.45Å; M17-I19 VanDerWaalsContact C-N 3.32Å; M17-I19 PolarHBondContact O-N 2.86Å; M17-V20 PolarHBondContact O-N 3.39Å; M17-V21 WeakPolarHBondContact O-CG2 3.46Å; M17-V21 PolarHBondContact O-N 3.44Å
18	W	72.7	Confident	66.9	Low	176 Å²	176	90.4 Å²	90.4	67%	0.667	49%	0.49	S	S	*	.	H	α-helix	trans	-64.6	-36	175.3	-73.4	110.4	0	0	0	112.7	C14 P15 V21 A22	C14-W18 PolarHBondContact O-N 3.32Å; P15-W18 PolarHBondContact O-N 3.26Å; W18-V21 PolarHBondContact O-N 3.32Å; W18-A22 VanDerWaalsContact O-CB 3.27Å; W18-A22 WeakPolarHBondContact O-CB 3.45Å; W18-A22 PolarHBondContact O-N 3.25Å
19	I	75.8	Confident	67.6	Low	99 Å²	99	90.5 Å²	90.5	51%	0.508	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-46.6	173.1	-66.8	165.9	0	0	0	110.3	P15 Y16 M17 V21 A22 V23	P15-I19 WeakPolarHBondContact O-CG1 3.45Å; P15-I19 PolarHBondContact O-N 3.16Å; P15-I19 VanDerWaalsContact O-N 3.09Å; Y16-I19 PolarHBondContact O-N 2.77Å; M17-I19 VanDerWaalsContact C-N 3.32Å; M17-I19 PolarHBondContact O-N 2.86Å; I19-V21 PolarHBondContact O-N 3.14Å; I19-A22 PolarHBondContact O-N 3.43Å; I19-V23 HydrophobicContact CG2-CG2 4.23Å; I19-V23 WeakPolarHBondContact O-CB 3.38Å; I19-V23 WeakPolarHBondContact O-CG2 3.16Å; I19-V23 PolarHBondContact O-N 3.01Å
20	V	75.2	Confident	68.2	Low	98 Å²	98	89 Å²	89	59%	0.594	47%	0.472	S	S	*	.	H	α-helix	trans	-61.9	-42.9	178	173.1	0	0	0	0	111.2	Y16 M17 V23 G24	Y16-V20 WeakPolarHBondContact O-CG2 3.06Å; Y16-V20 PolarHBondContact O-N 3.22Å; M17-V20 PolarHBondContact O-N 3.39Å; V20-V23 PolarHBondContact O-N 3.31Å; V20-G24 PolarHBondContact O-N 3.28Å
21	V	78.1	Confident	68.7	Low	82 Å²	82	92.7 Å²	92.7	50%	0.497	48%	0.477	S	S	.	.	H	α-helix	trans	-64.1	-44.5	176.1	171.6	0	0	0	0	111.2	M17 W18 I19 G24 A25	M17-V21 WeakPolarHBondContact O-CG2 3.46Å; M17-V21 PolarHBondContact O-N 3.44Å; W18-V21 PolarHBondContact O-N 3.32Å; I19-V21 PolarHBondContact O-N 3.14Å; V21-G24 PolarHBondContact O-N 3.34Å; V21-A25 VanDerWaalsContact O-CB 3.28Å; V21-A25 WeakPolarHBondContact O-CB 3.21Å; V21-A25 PolarHBondContact O-N 3.08Å
22	A	78.2	Confident	69.1	Low	49 Å²	49	95.7 Å²	95.7	41%	0.405	48%	0.483	S	S	.	.	H	α-helix	trans	-63.9	-43.6	177.3	0	0	0	0	0	111.7	W18 I19 A25 L26	W18-A22 VanDerWaalsContact O-CB 3.27Å; W18-A22 WeakPolarHBondContact O-CB 3.45Å; W18-A22 PolarHBondContact O-N 3.25Å; I19-A22 PolarHBondContact O-N 3.43Å; A22-A25 PolarHBondContact O-N 2.92Å; A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.37Å; A22-L26 WeakPolarHBondContact O-CD1 3.42Å; A22-L26 WeakPolarHBondContact O-CG 3.35Å; A22-L26 PolarHBondContact O-N 2.82Å
23	V	77	Confident	69.3	Low	77 Å²	77	97.2 Å²	97.2	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-43.4	175.2	171.1	0	0	0	0	110.9	I19 V20 L26 Y27	I19-V23 HydrophobicContact CG2-CG2 4.23Å; I19-V23 WeakPolarHBondContact O-CB 3.38Å; I19-V23 WeakPolarHBondContact O-CG2 3.16Å; I19-V23 PolarHBondContact O-N 3.01Å; V20-V23 PolarHBondContact O-N 3.31Å; V23-L26 PolarHBondContact O-N 3.26Å; V23-Y27 VanDerWaalsContact O-CB 3.31Å; V23-Y27 WeakPolarHBondContact O-CB 3.32Å; V23-Y27 PolarHBondContact O-N 3.21Å
24	G	77.4	Confident	69.6	Low	29 Å²	29	95.2 Å²	95.2	30%	0.299	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-45.5	176.6	0	0	0	0	0	112.7	V20 V21 Y27 I28	V20-G24 PolarHBondContact O-N 3.28Å; V21-G24 PolarHBondContact O-N 3.34Å; G24-Y27 WeakPolarHBondContact O-CB 3.35Å; G24-Y27 PolarHBondContact O-N 3.12Å; G24-I28 VanDerWaalsContact O-CG1 3.3Å; G24-I28 WeakPolarHBondContact O-CG1 3.36Å; G24-I28 PolarHBondContact O-N 3.04Å
25	A	79.3	Confident	69.3	Low	45 Å²	45	93.4 Å²	93.4	37%	0.372	47%	0.465	S	S	.	.	H	α-helix	trans	-62.5	-44.4	175.9	0	0	0	0	0	111.4	V21 A22 Y27 I28 I29	V21-A25 VanDerWaalsContact O-CB 3.28Å; V21-A25 WeakPolarHBondContact O-CB 3.21Å; V21-A25 PolarHBondContact O-N 3.08Å; A22-A25 PolarHBondContact O-N 2.92Å; A25-Y27 VanDerWaalsContact C-N 3.34Å; A25-Y27 PolarHBondContact O-N 3.46Å; A25-I28 PolarHBondContact O-N 3.36Å; A25-I29 WeakPolarHBondContact O-CB 3.22Å; A25-I29 WeakPolarHBondContact O-CD1 3.32Å; A25-I29 WeakPolarHBondContact O-CG1 3.33Å; A25-I29 PolarHBondContact O-N 2.97Å
26	L	74	Confident	69.7	Low	50 Å²	50	93.3 Å²	93.3	26%	0.262	46%	0.459	S	S	.	.	H	α-helix	trans	-67.6	-33.3	176.3	-72.6	164.4	0	0	0	112.3	A22 V23 K30 W273 L274	A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.37Å; A22-L26 WeakPolarHBondContact O-CD1 3.42Å; A22-L26 WeakPolarHBondContact O-CG 3.35Å; A22-L26 PolarHBondContact O-N 2.82Å; V23-L26 PolarHBondContact O-N 3.26Å; L26-K30 WeakPolarHBondContact O-CB 3.14Å; L26-K30 PolarHBondContact O-N 3.42Å; L26-W273 HydrophobicContact CB-CH2 3.07Å; L26-W273 HydrophobicContact CB-CZ2 3.67Å; L26-W273 HydrophobicContact CB-CZ3 3.75Å; L26-W273 HydrophobicContact CD1-CH2 3.58Å; L26-W273 HydrophobicContact CD1-CZ2 3.28Å; L26-W273 HydrophobicContact CD2-CZ2 4.49Å; L26-W273 HydrophobicContact CG-CH2 3.88Å; L26-W273 HydrophobicContact CG-CZ2 3.97Å; L26-L274 HydrophobicContact CB-CD2 4.34Å; L26-L274 HydrophobicContact CD2-CD1 4.3Å
27	Y	70	Confident	70.3	Confident	138 Å²	138	86.7 Å²	86.7	54%	0.541	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-42.7	170.6	175	-93	0	0	0	111.9	V23 G24 A25 K30 R31	V23-Y27 VanDerWaalsContact O-CB 3.31Å; V23-Y27 WeakPolarHBondContact O-CB 3.32Å; V23-Y27 PolarHBondContact O-N 3.21Å; G24-Y27 WeakPolarHBondContact O-CB 3.35Å; G24-Y27 PolarHBondContact O-N 3.12Å; A25-Y27 VanDerWaalsContact C-N 3.34Å; A25-Y27 PolarHBondContact O-N 3.46Å; Y27-K30 WeakPolarHBondContact O-CB 3.22Å; Y27-K30 PolarHBondContact O-N 2.74Å; Y27-R31 WeakPolarHBondContact O-CB 3.41Å; Y27-R31 PolarHBondContact O-N 2.74Å
28	I	71.2	Confident	70.9	Confident	90 Å²	90	86 Å²	86	46%	0.462	43%	0.431	S	S	.	.	H	α-helix	trans	-65.4	-46.8	175.7	-67.7	166	0	0	0	110.2	G24 A25 K30 R31 E32	G24-I28 VanDerWaalsContact O-CG1 3.3Å; G24-I28 WeakPolarHBondContact O-CG1 3.36Å; G24-I28 PolarHBondContact O-N 3.04Å; A25-I28 PolarHBondContact O-N 3.36Å; I28-K30 VanDerWaalsContact C-N 3.28Å; I28-K30 PolarHBondContact O-N 2.83Å; I28-R31 PolarHBondContact O-N 2.85Å; I28-E32 HydrophobicContact CG2-CG 4.28Å; I28-E32 WeakPolarHBondContact O-CB 3.21Å; I28-E32 PolarHBondContact O-N 3.25Å
29	I	67.9	Low	71.7	Confident	71 Å²	71	78.1 Å²	78.1	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-57.9	-43.8	174.7	-70	164	0	0	0	110.1	A25 Y33 F34	A25-I29 WeakPolarHBondContact O-CB 3.22Å; A25-I29 WeakPolarHBondContact O-CD1 3.32Å; A25-I29 WeakPolarHBondContact O-CG1 3.33Å; A25-I29 PolarHBondContact O-N 2.97Å; I29-Y33 HydrophobicContact CB-CD2 4.43Å; I29-Y33 HydrophobicContact CG2-CD2 4.02Å; I29-Y33 WeakPolarHBondContact O-CB 3.32Å; I29-Y33 WeakPolarHBondContact O-CD2 3.48Å; I29-Y33 PolarHBondContact O-N 3.28Å; I29-F34 HydrophobicContact CG2-CE2 4.36Å
30	K	62.8	Low	72.4	Confident	39 Å²	39	79.2 Å²	79.2	17%	0.17	41%	0.414	C	S	.	.	H	α-helix	trans	-57.7	-49	172.8	-170.1	-175.8	173.3	-178.2	0	111	L26 Y27 I28 F34 G35 H36 W273 L274	L26-K30 WeakPolarHBondContact O-CB 3.14Å; L26-K30 PolarHBondContact O-N 3.42Å; Y27-K30 WeakPolarHBondContact O-CB 3.22Å; Y27-K30 PolarHBondContact O-N 2.74Å; I28-K30 VanDerWaalsContact C-N 3.28Å; I28-K30 PolarHBondContact O-N 2.83Å; K30-F34 HydrophobicContact CG-CB 4.19Å; K30-F34 CarbonylContact O-C 3.55Å; K30-F34 WeakPolarHBondContact O-CA 3.44Å; K30-F34 WeakPolarHBondContact O-CB 3.41Å; K30-F34 PolarHBondContact O-N 2.9Å; K30-G35 PolarHBondContact O-N 3.2Å; K30-H36 WeakPolarHBondContact CE-NE2 3.45Å; K30-W273 PolarHBondContact NZ-O 3.43Å; K30-W273 VanDerWaalsContact NZ-O 3.14Å; K30-L274 HydrophobicContact CB-CD2 3.89Å; K30-L274 HydrophobicContact CD-CD2 4.45Å; K30-L274 HydrophobicContact CG-CD2 4.31Å
31	R	65	Low	73.2	Confident	166 Å²	166	76.4 Å²	76.4	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-68.2	-39.5	-176.1	-162.5	178.4	83.9	161.9	5.7	112.8	Y27 I28 G35	Y27-R31 WeakPolarHBondContact O-CB 3.41Å; Y27-R31 PolarHBondContact O-N 2.74Å; I28-R31 PolarHBondContact O-N 2.85Å; R31-G35 WeakPolarHBondContact O-CA 3.5Å; R31-G35 PolarHBondContact O-N 3.38Å
32	E	57.8	Low	73.8	Confident	133 Å²	133	79.2 Å²	79.2	62%	0.621	40%	0.403	S	S	*	.	H	α-helix	trans	-82.9	-42.1	-176.7	-70.7	-164.2	162	0	0	113.1	I28	I28-E32 HydrophobicContact CG2-CG 4.28Å; I28-E32 WeakPolarHBondContact O-CB 3.21Å; I28-E32 PolarHBondContact O-N 3.25Å
33	Y	55.6	Low	74.5	Confident	179 Å²	179	78.9 Å²	78.9	70%	0.702	40%	0.395	S	S	*	.	H	α-helix	trans	-99.4	-26.8	-176.1	-63.3	-84.2	0	0	0	113.7	I29	I29-Y33 HydrophobicContact CB-CD2 4.43Å; I29-Y33 HydrophobicContact CG2-CD2 4.02Å; I29-Y33 WeakPolarHBondContact O-CB 3.32Å; I29-Y33 WeakPolarHBondContact O-CD2 3.48Å; I29-Y33 PolarHBondContact O-N 3.28Å
34	F	59.6	Low	75.3	Confident	66 Å²	66	78.7 Å²	78.7	29%	0.289	39%	0.386	S	S	.	.	S	Bend	trans	-115.7	14.9	178.2	-56.9	-91.4	0	0	0	112.6	I29 K30 H36 L251	I29-F34 HydrophobicContact CG2-CE2 4.36Å; K30-F34 HydrophobicContact CG-CB 4.19Å; K30-F34 CarbonylContact O-C 3.55Å; K30-F34 WeakPolarHBondContact O-CA 3.44Å; K30-F34 WeakPolarHBondContact O-CB 3.41Å; K30-F34 PolarHBondContact O-N 2.9Å; F34-H36 PolarHBondContact O-N 3.28Å; F34-L251 HydrophobicContact CE1-CD2 4.1Å
35	G	56.5	Low	76.1	Confident	25 Å²	25	77.4 Å²	77.4	26%	0.258	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-48.4	128.6	-174.3	0	0	0	0	0	112.1	K30 R31	K30-G35 PolarHBondContact O-N 3.2Å; R31-G35 WeakPolarHBondContact O-CA 3.5Å; R31-G35 PolarHBondContact O-N 3.38Å
36	H	69.4	Low	76.8	Confident	63 Å²	63	79.7 Å²	79.7	29%	0.292	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-81	120.1	-178.2	-50.9	-74	0	0	0	109.1	K30 F34 K276 E280	K30-H36 WeakPolarHBondContact CE-NE2 3.45Å; F34-H36 PolarHBondContact O-N 3.28Å; H36-K276 WeakPolarHBondContact ND1-CG 3.36Å; H36-E280 HydrophobicContact CB-CG 4.16Å; H36-E280 IonicContact CD2-OE1 3.81Å; H36-E280 IonicContact CE1-OE1 3.03Å; H36-E280 IonicContact CE1-OE2 2.84Å; H36-E280 PolarHBondContact CE1-OE2 2.94Å; H36-E280 IonicContact CG-OE1 2.69Å; H36-E280 IonicContact CG-OE2 2.78Å; H36-E280 IonicContact ND1-OE1 2.86Å; H36-E280 IonicContact ND1-OE2 3.24Å; H36-E280 PolarHBondContact ND1-OE2 3.43Å; H36-E280 VanDerWaalsContact ND1-OE2 3.08Å; H36-E280 IonicContact NE2-OE1 3.41Å; H36-E280 IonicContact NE2-OE2 3.41Å
37	C	80.6	Confident	77.7	Confident	21 Å²	21	81 Å²	81	14%	0.142	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-73.3	140.1	156.2	81.5	0	0	0	0	109.6	Q283 T284 E302 C303	C37-Q283 VanDerWaalsContact O-CB 3.28Å; C37-Q283 WeakPolarHBondContact O-CB 3.23Å; C37-Q283 WeakPolarHBondContact O-CG 3.26Å; C37-T284 PolarHBondContact SG-OG1 3.46Å; C37-E302 HydrophobicContact CB-CB 4.17Å; C37-E302 PolarHBondContact N-OE2 3.11Å; C37-E302 WeakPolarHBondContact SG-CA 3.06Å; C37-C303 HydrophobicContact CB-CB 3.73Å; C37-C303 WeakPolarHBondContact CB-SG 3.5Å; C37-C303 WeakPolarHBondContact SG-CB 3.26Å; C37-C303 PolarHBondContact SG-N 2.98Å; C37-C303 CovalentContact SG-SG 2.07Å; C37-C303 PolarHBondContact SG-SG 2.82Å
38	E	85.9	Confident	78.9	Confident	109 Å²	109	75.1 Å²	75.1	51%	0.509	38%	0.381	S	S	.	.			trans	-109	138.2	161.9	-171.8	160.1	-152	0	0	107	T40 R279	E38-T40 PolarHBondContact O-N 3.28Å; E38-R279 IonicContact OE1-CZ 3.01Å; E38-R279 IonicContact OE1-NH1 2.72Å; E38-R279 PolarHBondContact OE1-NH1 3.39Å; E38-R279 IonicContact OE1-NH2 3.34Å; E38-R279 PolarHBondContact OE1-NH2 3.41Å
39	C	88.7	Confident	80.1	Confident	12 Å²	12	71.6 Å²	71.6	8%	0.081	36%	0.363	C	S	.	.			trans	-70.1	113.6	176	-177.3	0	0	0	0	108.5	V286 F287	C39-V286 HydrophobicContact CB-CG1 4.06Å; C39-F287 HydrophobicContact CB-CB 4.32Å
40	T	89.8	Confident	81.6	Confident	122 Å²	122	68.2 Å²	68.2	75%	0.748	35%	0.346	S	S	*	.			trans	-92.5	4	179	61	0	0	0	0	113.1	E38	E38-T40 PolarHBondContact O-N 3.28Å
41	L	92.8	Very high	83.3	Confident	38 Å²	38	66.3 Å²	66.3	20%	0.199	34%	0.338	C	S	.	.			trans	-72.7	138.9	179.7	-60.4	176	0	0	0	109.8	R70 F287 L290 D291	L41-R70 VanDerWaalsContact O-CZ 3.22Å; L41-R70 PolarHBondContact O-NH1 3.07Å; L41-R70 PolarHBondContact O-NH2 3.29Å; L41-F287 HydrophobicContact CD1-CD2 3.71Å; L41-F287 HydrophobicContact CD1-CE2 3.83Å; L41-F287 HydrophobicContact CD1-CG 4.42Å; L41-F287 HydrophobicContact CG-CD2 4.14Å; L41-F287 HydrophobicContact CG-CE2 4.2Å; L41-L290 HydrophobicContact CB-CB 4.36Å; L41-L290 HydrophobicContact CB-CD1 4.44Å; L41-L290 HydrophobicContact CD1-CB 3.85Å; L41-D291 HydrophobicContact CD1-CB 3.8Å
42	E	91	Very high	84.9	Confident	142 Å²	142	58.4 Å²	58.4	66%	0.664	31%	0.308	S	S	*	.			trans	-101.9	1.5	-179	-62	-176.3	167.4	0	0	112.6	L103	E42-L103 HydrophobicContact CB-CD2 4.11Å; E42-L103 HydrophobicContact CG-CD1 4.1Å; E42-L103 HydrophobicContact CG-CD2 4.42Å
43	D	92.4	Very high	86.8	Confident	42 Å²	42	52.1 Å²	52.1	23%	0.225	28%	0.279	C	S	.	.			trans	-57	142.5	-178.2	-63.2	-93.3	0	0	0	112.8	R70 L290 K292	D43-R70 PolarHBondContact O-NH1 3.46Å; D43-L290 HydrophobicContact CB-CB 4.4Å; D43-L290 HydrophobicContact CB-CD2 4.25Å; D43-L290 WeakPolarHBondContact O-CD2 3.44Å; D43-K292 WeakPolarHBondContact OD1-CE 3.35Å; D43-K292 IonicContact OD1-NZ 3.61Å; D43-K292 PolarHBondContact OD1-NZ 3.44Å
44	R	92.9	Very high	88.8	Confident	72 Å²	72	44.6 Å²	44.6	27%	0.272	26%	0.256	S	S	.	.			trans	-104.3	160.4	178.3	-67.8	-153.4	52.9	87.5	0.2	112.3	D46 H69 R70 L103	R44-D46 WeakPolarHBondContact CB-OD2 3.42Å; R44-D46 WeakPolarHBondContact CD-OD2 3.4Å; R44-D46 IonicContact CZ-OD1 3.44Å; R44-D46 IonicContact CZ-OD2 3.77Å; R44-D46 IonicContact NE-OD1 3.26Å; R44-D46 PolarHBondContact NE-OD1 3.37Å; R44-D46 IonicContact NE-OD2 2.82Å; R44-D46 PolarHBondContact NE-OD2 3.44Å; R44-D46 IonicContact NH2-OD1 2.87Å; R44-D46 PolarHBondContact NH2-OD1 3.35Å; R44-D46 IonicContact NH2-OD2 2.7Å; R44-H69 PolarHBondContact NH1-O 3.31Å; R44-R70 PolarHBondContact NH2-O 2.94Å; R44-L103 PolarHBondContact NH1-O 2.73Å
45	L	94.8	Very high	90.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	24%	0.242	C	C	.	.			trans	-123.3	22.9	-176.9	-62.6	176.2	0	0	0	111.6	G47 K48 L67 R70 G71 A72 I141 L290	L45-G47 PolarHBondContact O-N 3.04Å; L45-K48 HydrophobicContact CB-CB 4.46Å; L45-K48 HydrophobicContact CD2-CD 3.93Å; L45-K48 WeakPolarHBondContact O-CB 3.48Å; L45-K48 PolarHBondContact O-N 3.35Å; L45-L67 HydrophobicContact CD1-CB 4.24Å; L45-L67 HydrophobicContact CD1-CD2 3.47Å; L45-L67 VanDerWaalsContact CD1-CD2 3.47Å; L45-L67 HydrophobicContact CD1-CG 4.41Å; L45-R70 HydrophobicContact CD1-CB 4.44Å; L45-R70 HydrophobicContact CG-CB 4.42Å; L45-R70 PolarHBondContact N-O 2.72Å; L45-G71 CarbonylContact O-C 3.5Å; L45-A72 HydrophobicContact CB-CB 3.79Å; L45-A72 HydrophobicContact CD1-CB 4.05Å; L45-I141 HydrophobicContact CD1-CD1 4.36Å; L45-I141 HydrophobicContact CD2-CD1 3.76Å; L45-L290 HydrophobicContact CD1-CD2 3.96Å; L45-L290 HydrophobicContact CD2-CD2 4.01Å; L45-L290 HydrophobicContact CG-CD2 3.85Å
46	D	93.4	Very high	92.3	Very high	93 Å²	93	42.1 Å²	42.1	50%	0.497	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	131.4	178.3	-57.8	-54.3	0	0	0	110.6	R44 K48 G71	R44-D46 WeakPolarHBondContact CB-OD2 3.42Å; R44-D46 WeakPolarHBondContact CD-OD2 3.4Å; R44-D46 IonicContact CZ-OD1 3.44Å; R44-D46 IonicContact CZ-OD2 3.77Å; R44-D46 IonicContact NE-OD1 3.26Å; R44-D46 PolarHBondContact NE-OD1 3.37Å; R44-D46 IonicContact NE-OD2 2.82Å; R44-D46 PolarHBondContact NE-OD2 3.44Å; R44-D46 IonicContact NH2-OD1 2.87Å; R44-D46 PolarHBondContact NH2-OD1 3.35Å; R44-D46 IonicContact NH2-OD2 2.7Å; D46-K48 PolarHBondContact O-N 3.35Å; D46-G71 WeakPolarHBondContact OD1-CA 3.49Å
47	G	92.8	Very high	93.5	Very high	78 Å²	78	43.2 Å²	43.2	80%	0.804	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	-4.1	-178.6	0	0	0	0	0	115.5	L45	L45-G47 PolarHBondContact O-N 3.04Å
48	K	95.7	Very high	94	Very high	14 Å²	14	43.3 Å²	43.3	6%	0.061	26%	0.256	C	S	.	.			trans	-91.4	129.7	178.2	-63.5	-175.6	179.6	175.5	0	111	L45 D46 A72 R73 P140 D186 E188	L45-K48 HydrophobicContact CB-CB 4.46Å; L45-K48 HydrophobicContact CD2-CD 3.93Å; L45-K48 WeakPolarHBondContact O-CB 3.48Å; L45-K48 PolarHBondContact O-N 3.35Å; D46-K48 PolarHBondContact O-N 3.35Å; K48-A72 WeakPolarHBondContact O-CA 3.2Å; K48-R73 PolarHBondContact O-N 3.48Å; K48-P140 HydrophobicContact CB-CG 3.79Å; K48-P140 HydrophobicContact CD-CG 4.33Å; K48-P140 HydrophobicContact CG-CG 4.04Å; K48-D186 VanDerWaalsContact CE-OD2 3.29Å; K48-D186 WeakPolarHBondContact CE-OD2 3.24Å; K48-E188 IonicContact NZ-OE1 3.48Å; K48-E188 IonicContact NZ-OE2 3.9Å; K48-E188 PolarHBondContact NZ-OE2 3.43Å
49	T	97.2	Very high	94.4	Very high	16 Å²	16	39.2 Å²	39.2	10%	0.098	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.9	169.7	-62.9	0	0	0	0	110.3	R73 I75 P140	T49-R73 CarbonylContact C-O 3.57Å; T49-R73 VanDerWaalsContact CA-O 3.29Å; T49-R73 WeakPolarHBondContact CA-O 3.5Å; T49-R73 PolarHBondContact OG1-NH1 2.9Å; T49-R73 VanDerWaalsContact OG1-NH1 3.09Å; T49-I75 HydrophobicContact CG2-CD1 3.58Å; T49-I75 HydrophobicContact CG2-CG1 4.12Å; T49-P140 VanDerWaalsContact O-CD 3.23Å; T49-P140 WeakPolarHBondContact O-CD 3.45Å
50	V	98.4	Very high	94.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.2	179.6	-175.7	0	0	0	0	110	V52 L67 A72 R73 V74 I75 I141 I143	V50-V52 HydrophobicContact CG1-CG2 4.08Å; V50-L67 HydrophobicContact CG1-CD1 4.1Å; V50-A72 HydrophobicContact CG2-CB 3.81Å; V50-R73 PolarHBondContact N-O 3.07Å; V50-V74 CarbonylContact O-C 3.52Å; V50-V74 WeakPolarHBondContact O-CA 3.25Å; V50-I75 PolarHBondContact O-N 3.49Å; V50-I141 WeakPolarHBondContact CA-O 3.19Å; V50-I141 HydrophobicContact CB-CB 4.36Å; V50-I141 HydrophobicContact CG1-CB 3.87Å; V50-I141 HydrophobicContact CG1-CG2 3.85Å; V50-I141 HydrophobicContact CG2-CB 3.95Å; V50-I141 HydrophobicContact CG2-CD1 4.1Å; V50-I141 HydrophobicContact CG2-CG1 4.37Å; V50-I143 HydrophobicContact CG1-CD1 4.2Å; V50-I143 HydrophobicContact CG1-CG1 4.26Å
51	I	98.8	Very high	95.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.6	170.2	-63.7	176.5	0	0	0	109	I75 A77 F128 I132 I139 I141 L142 I143 L178	I51-I75 HydrophobicContact CD1-CD1 4.49Å; I51-I75 HydrophobicContact CG1-CB 3.96Å; I51-I75 HydrophobicContact CG1-CD1 4.02Å; I51-I75 HydrophobicContact CG1-CG2 4.28Å; I51-A77 HydrophobicContact CG2-CB 4.26Å; I51-F128 HydrophobicContact CD1-CE1 4.47Å; I51-F128 HydrophobicContact CD1-CZ 4.39Å; I51-F128 HydrophobicContact CG2-CZ 4.19Å; I51-I132 HydrophobicContact CD1-CG1 4.46Å; I51-I132 HydrophobicContact CD1-CG2 3.95Å; I51-I139 HydrophobicContact CD1-CD1 3.6Å; I51-I139 HydrophobicContact CD1-CG1 4.21Å; I51-I139 HydrophobicContact CD1-CG2 4.03Å; I51-I139 HydrophobicContact CG1-CD1 4.49Å; I51-I139 HydrophobicContact CG1-CG2 4.01Å; I51-I141 PolarHBondContact N-O 3.29Å; I51-L142 HydrophobicContact CB-CD1 3.77Å; I51-L142 HydrophobicContact CG2-CD1 3.72Å; I51-I143 PolarHBondContact O-N 3.47Å; I51-L178 HydrophobicContact CD1-CD1 3.89Å
52	V	98.8	Very high	95.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.3	172.5	-169.9	0	0	0	0	109.8	V50 C55 V64 L67 V74 I75 A77 I143 N145	V50-V52 HydrophobicContact CG1-CG2 4.08Å; V52-C55 HydrophobicContact CB-CB 4.16Å; V52-C55 HydrophobicContact CG1-CB 3.8Å; V52-C55 PolarHBondContact O-SG 2.8Å; V52-V64 HydrophobicContact CB-CG2 3.92Å; V52-V64 HydrophobicContact CG1-CG2 4.16Å; V52-V64 HydrophobicContact CG2-CG2 3.99Å; V52-L67 HydrophobicContact CG2-CD1 4.31Å; V52-V74 HydrophobicContact CG2-CG1 3.9Å; V52-I75 PolarHBondContact N-O 3.26Å; V52-A77 PolarHBondContact O-N 2.88Å; V52-I143 HydrophobicContact CB-CB 4.48Å; V52-I143 HydrophobicContact CG1-CB 4.24Å; V52-I143 HydrophobicContact CG1-CG2 4.34Å; V52-I143 HydrophobicContact CG2-CB 4.22Å; V52-I143 HydrophobicContact CG2-CD1 4.08Å; V52-I143 HydrophobicContact CG2-CG1 4.35Å; V52-N145 HydrophobicContact CG1-CB 4.15Å
53	T	98.5	Very high	95.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	142.7	177.1	69.3	0	0	0	0	111.8	C55 A77 L117 I143 N145 A146 H171 L174	T53-C55 PolarHBondContact O-N 3.35Å; T53-A77 CarbonylContact C-O 3.53Å; T53-A77 WeakPolarHBondContact CA-O 3.28Å; T53-A77 HydrophobicContact CG2-CB 4.43Å; T53-L117 HydrophobicContact CG2-CD2 3.82Å; T53-I143 PolarHBondContact N-O 2.88Å; T53-I143 PolarHBondContact OG1-O 3.4Å; T53-N145 WeakPolarHBondContact O-CB 3.15Å; T53-N145 PolarHBondContact O-ND2 2.81Å; T53-N145 PolarHBondContact OG1-N 3.41Å; T53-A146 PolarHBondContact O-N 3.46Å; T53-A146 VanDerWaalsContact O-N 3.12Å; T53-A146 WeakPolarHBondContact OG1-CB 3.35Å; T53-A146 PolarHBondContact OG1-N 2.86Å; T53-H171 PolarHBondContact OG1-NE2 3.04Å; T53-L174 HydrophobicContact CG2-CD2 3.72Å
54	G	96	Very high	95.8	Very high	22 Å²	22	24.1 Å²	24.1	23%	0.227	16%	0.155	C	C	.	.	S	Bend	trans	62.3	44.1	174.2	0	0	0	0	0	113.5	A77 N145	G54-A77 PolarHBondContact N-O 2.79Å; G54-N145 PolarHBondContact O-ND2 3.05Å
55	C	96.5	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	15%	0.146	C	C	.	.			trans	-103.6	11.8	-172.6	56.2	0	0	0	0	114.8	V52 T53 T57 L61 V64 M76 C78	V52-C55 HydrophobicContact CB-CB 4.16Å; V52-C55 HydrophobicContact CG1-CB 3.8Å; V52-C55 PolarHBondContact O-SG 2.8Å; T53-C55 PolarHBondContact O-N 3.35Å; C55-T57 PolarHBondContact O-N 3.09Å; C55-L61 VanDerWaalsContact O-CA 3.29Å; C55-L61 WeakPolarHBondContact O-CA 3.28Å; C55-L61 WeakPolarHBondContact O-CB 3.48Å; C55-L61 WeakPolarHBondContact O-CD1 3.31Å; C55-L61 PolarHBondContact O-N 3.13Å; C55-V64 HydrophobicContact CB-CG2 3.49Å; C55-V64 VanDerWaalsContact CB-CG2 3.49Å; C55-M76 WeakPolarHBondContact SG-CA 3.28Å; C55-M76 VanDerWaalsContact SG-CB 3.53Å; C55-C78 PolarHBondContact N-SG 3.45Å; C55-C78 VanDerWaalsContact SG-SG 3.67Å
56	N	94.7	Very high	96	Very high	38 Å²	38	23.3 Å²	23.3	20%	0.203	16%	0.155	C	C	.	.	S	Bend	trans	-73.6	-11.8	177.1	65.9	-71.4	0	0	0	113.7	C78 K83 A87	N56-C78 HydrophobicContact CB-CB 4.48Å; N56-C78 PolarHBondContact N-SG 2.77Å; N56-C78 VanDerWaalsContact N-SG 3.41Å; N56-K83 HydrophobicContact CB-CB 4.37Å; N56-A87 HydrophobicContact CB-CB 4.16Å; N56-A87 WeakPolarHBondContact O-CB 3.38Å
57	T	93.4	Very high	96.1	Very high	86 Å²	86	18.9 Å²	18.9	53%	0.528	13%	0.131	S	C	.	.	S	Bend	trans	-155.2	169.8	176.9	57.3	0	0	0	0	111.2	C55 L61	C55-T57 PolarHBondContact O-N 3.09Å; T57-L61 PolarHBondContact O-N 2.94Å
58	G	92.3	Very high	96.3	Very high	24 Å²	24	15.1 Å²	15.1	25%	0.247	9%	0.093	C	C	.	.	H	α-helix	trans	65.6	-143.1	163.5	0	0	0	0	0	113.8	G60 L61 E62 S278	G58-G60 VanDerWaalsContact C-N 3.26Å; G58-G60 PolarHBondContact O-N 2.93Å; G58-L61 PolarHBondContact O-N 2.83Å; G58-E62 PolarHBondContact O-N 2.83Å; G58-S278 WeakPolarHBondContact CA-OG 3.49Å
59	I	93.3	Very high	96.2	Very high	23 Å²	23	15 Å²	15	12%	0.118	9%	0.092	C	C	.	.	H	α-helix	trans	-57.7	-41	-177.8	-61.5	161.4	0	0	0	111.2	L61 E62 T63 P249 V252 T254 A282	I59-L61 PolarHBondContact O-N 3.25Å; I59-E62 PolarHBondContact O-N 2.78Å; I59-T63 WeakPolarHBondContact O-CB 3.3Å; I59-T63 PolarHBondContact O-N 3.01Å; I59-T63 PolarHBondContact O-OG1 2.76Å; I59-P249 HydrophobicContact CD1-CB 3.76Å; I59-P249 HydrophobicContact CD1-CG 3.83Å; I59-V252 HydrophobicContact CD1-CB 4.07Å; I59-V252 HydrophobicContact CD1-CG1 4.2Å; I59-V252 HydrophobicContact CD1-CG2 3.82Å; I59-V252 HydrophobicContact CG1-CB 4.38Å; I59-V252 HydrophobicContact CG1-CG1 3.98Å; I59-V252 HydrophobicContact CG1-CG2 4.14Å; I59-T254 HydrophobicContact CD1-CG2 4.36Å; I59-A282 HydrophobicContact CG2-CB 4.26Å
60	G	96.6	Very high	96.1	Very high	1 Å²	1	15 Å²	15	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-63.9	-40.6	-180	0	0	0	0	0	112.4	G58 T63 V64 N145	G58-G60 VanDerWaalsContact C-N 3.26Å; G58-G60 PolarHBondContact O-N 2.93Å; G60-T63 WeakPolarHBondContact O-CB 3.48Å; G60-T63 PolarHBondContact O-N 3.07Å; G60-V64 WeakPolarHBondContact O-CG2 3.39Å; G60-V64 PolarHBondContact O-N 3.44Å; G60-N145 VanDerWaalsContact CA-ND2 3.3Å; G60-N145 WeakPolarHBondContact CA-ND2 3.13Å
61	L	96.9	Very high	95.8	Very high	7 Å²	7	15.9 Å²	15.9	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-63.1	-46.4	177.1	-175.4	64.6	0	0	0	111.8	C55 T57 G58 I59 T63 V64 N65 A87 L91	C55-L61 VanDerWaalsContact O-CA 3.29Å; C55-L61 WeakPolarHBondContact O-CA 3.28Å; C55-L61 WeakPolarHBondContact O-CB 3.48Å; C55-L61 WeakPolarHBondContact O-CD1 3.31Å; C55-L61 PolarHBondContact O-N 3.13Å; T57-L61 PolarHBondContact O-N 2.94Å; G58-L61 PolarHBondContact O-N 2.83Å; I59-L61 PolarHBondContact O-N 3.25Å; L61-T63 VanDerWaalsContact C-N 3.29Å; L61-T63 PolarHBondContact O-N 3.38Å; L61-V64 PolarHBondContact O-N 3.13Å; L61-N65 PolarHBondContact O-N 3.18Å; L61-A87 HydrophobicContact CD1-CB 3.9Å; L61-L91 HydrophobicContact CD1-CD1 3.83Å; L61-L91 HydrophobicContact CD1-CD2 3.79Å; L61-L91 HydrophobicContact CD1-CG 3.73Å; L61-L91 HydrophobicContact CG-CD2 4.11Å
62	E	95.6	Very high	95.7	Very high	30 Å²	30	15.9 Å²	15.9	14%	0.14	10%	0.099	C	C	.	.	H	α-helix	trans	-69.3	-29.5	178.5	-61.1	-63.7	148.9	0	0	112.1	G58 I59 N65 E66 R94 R279 A282	G58-E62 PolarHBondContact O-N 2.83Å; I59-E62 PolarHBondContact O-N 2.78Å; E62-N65 WeakPolarHBondContact O-CB 3.39Å; E62-N65 PolarHBondContact O-N 3.19Å; E62-E66 PolarHBondContact O-N 3.46Å; E62-E66 VanDerWaalsContact O-N 3.13Å; E62-R94 IonicContact OE1-CZ 2.6Å; E62-R94 IonicContact OE1-NH1 3.82Å; E62-R94 PolarHBondContact OE1-NH1 2.97Å; E62-R94 IonicContact OE1-NH2 3.57Å; E62-R94 IonicContact OE2-NH1 2.94Å; E62-R279 HydrophobicContact CG-CB 4.38Å; E62-A282 HydrophobicContact CB-CB 3.98Å
63	T	97.4	Very high	95.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-48	170.9	-57.4	0	0	0	0	110.4	I59 G60 L61 N65 E66 L67 I143 A282 T285	I59-T63 WeakPolarHBondContact O-CB 3.3Å; I59-T63 PolarHBondContact O-N 3.01Å; I59-T63 PolarHBondContact O-OG1 2.76Å; G60-T63 WeakPolarHBondContact O-CB 3.48Å; G60-T63 PolarHBondContact O-N 3.07Å; L61-T63 VanDerWaalsContact C-N 3.29Å; L61-T63 PolarHBondContact O-N 3.38Å; T63-N65 VanDerWaalsContact C-N 3.32Å; T63-N65 PolarHBondContact O-N 3.11Å; T63-E66 PolarHBondContact O-N 3.11Å; T63-L67 HydrophobicContact CG2-CD1 3.67Å; T63-L67 HydrophobicContact CG2-CG 4.33Å; T63-L67 WeakPolarHBondContact O-CB 3.39Å; T63-L67 WeakPolarHBondContact O-CG 2.99Å; T63-L67 PolarHBondContact O-N 2.8Å; T63-L67 VanDerWaalsContact O-N 3.07Å; T63-I143 HydrophobicContact CG2-CD1 3.82Å; T63-A282 WeakPolarHBondContact OG1-CB 3.33Å; T63-T285 HydrophobicContact CG2-CG2 3.82Å
64	V	98	Very high	95.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.8	-44.4	175.3	173.8	0	0	0	0	110.8	V52 C55 G60 L61 E66 L67 A68 V74 M76 L91 L112	V52-V64 HydrophobicContact CB-CG2 3.92Å; V52-V64 HydrophobicContact CG1-CG2 4.16Å; V52-V64 HydrophobicContact CG2-CG2 3.99Å; C55-V64 HydrophobicContact CB-CG2 3.49Å; C55-V64 VanDerWaalsContact CB-CG2 3.49Å; G60-V64 WeakPolarHBondContact O-CG2 3.39Å; G60-V64 PolarHBondContact O-N 3.44Å; L61-V64 PolarHBondContact O-N 3.13Å; V64-E66 PolarHBondContact O-N 3.2Å; V64-L67 PolarHBondContact O-N 3.13Å; V64-A68 VanDerWaalsContact O-CB 3.23Å; V64-A68 WeakPolarHBondContact O-CB 3.19Å; V64-A68 PolarHBondContact O-N 3.41Å; V64-V74 HydrophobicContact CB-CG1 4.39Å; V64-V74 HydrophobicContact CG1-CB 4.2Å; V64-V74 HydrophobicContact CG1-CG1 3.9Å; V64-V74 HydrophobicContact CG1-CG2 4.47Å; V64-V74 HydrophobicContact CG2-CG1 3.9Å; V64-M76 HydrophobicContact CG1-CE 4.27Å; V64-M76 HydrophobicContact CG1-CG 4.13Å; V64-M76 HydrophobicContact CG1-SD 4.11Å; V64-M76 HydrophobicContact CG2-CG 4.35Å; V64-L91 HydrophobicContact CB-CD1 4.2Å; V64-L91 HydrophobicContact CG1-CD1 3.57Å; V64-L112 HydrophobicContact CG1-CD2 3.83Å
65	N	95.8	Very high	95.8	Very high	17 Å²	17	18.4 Å²	18.4	9%	0.091	10%	0.102	C	C	.	.	H	α-helix	trans	-52.7	-54.2	179	-169.6	55.6	0	0	0	111.5	L61 E62 T63 H69 L91	L61-N65 PolarHBondContact O-N 3.18Å; E62-N65 WeakPolarHBondContact O-CB 3.39Å; E62-N65 PolarHBondContact O-N 3.19Å; T63-N65 VanDerWaalsContact C-N 3.32Å; T63-N65 PolarHBondContact O-N 3.11Å; N65-H69 PolarHBondContact O-N 2.79Å; N65-H69 VanDerWaalsContact O-N 3.11Å; N65-H69 PolarHBondContact O-ND1 2.92Å; N65-H69 PolarHBondContact OD1-CE1 2.66Å; N65-H69 PolarHBondContact OD1-ND1 3.47Å; N65-L91 HydrophobicContact CB-CD2 3.64Å
66	E	95.1	Very high	95.9	Very high	40 Å²	40	18.4 Å²	18.4	19%	0.187	10%	0.102	C	C	.	.	H	α-helix	trans	-68	-41.8	-176.9	-176.1	66.2	-156.9	0	0	112.5	E62 T63 V64 H69 R70 V286	E62-E66 PolarHBondContact O-N 3.46Å; E62-E66 VanDerWaalsContact O-N 3.13Å; T63-E66 PolarHBondContact O-N 3.11Å; V64-E66 PolarHBondContact O-N 3.2Å; E66-H69 PolarHBondContact O-N 3.45Å; E66-R70 WeakPolarHBondContact O-CG 3.26Å; E66-R70 PolarHBondContact O-N 3.38Å; E66-R70 VanDerWaalsContact O-N 3.11Å; E66-R70 IonicContact OE1-CZ 2.76Å; E66-R70 IonicContact OE1-NE 3.13Å; E66-R70 PolarHBondContact OE1-NE 2.88Å; E66-R70 IonicContact OE1-NH2 3.49Å; E66-R70 PolarHBondContact OE1-NH2 3.18Å; E66-R70 VanDerWaalsContact OE1-NH2 3.13Å; E66-V286 HydrophobicContact CB-CG2 3.88Å; E66-V286 HydrophobicContact CG-CB 4.3Å; E66-V286 HydrophobicContact CG-CG1 3.59Å; E66-V286 HydrophobicContact CG-CG2 3.74Å
67	L	97	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.5	-39	-179.5	-62.9	172.6	0	0	0	112.2	L45 V50 V52 T63 V64 R70 G71 A72 V74 I143 A289	L45-L67 HydrophobicContact CD1-CB 4.24Å; L45-L67 HydrophobicContact CD1-CD2 3.47Å; L45-L67 VanDerWaalsContact CD1-CD2 3.47Å; L45-L67 HydrophobicContact CD1-CG 4.41Å; V50-L67 HydrophobicContact CG1-CD1 4.1Å; V52-L67 HydrophobicContact CG2-CD1 4.31Å; T63-L67 HydrophobicContact CG2-CD1 3.67Å; T63-L67 HydrophobicContact CG2-CG 4.33Å; T63-L67 WeakPolarHBondContact O-CB 3.39Å; T63-L67 WeakPolarHBondContact O-CG 2.99Å; T63-L67 PolarHBondContact O-N 2.8Å; T63-L67 VanDerWaalsContact O-N 3.07Å; V64-L67 PolarHBondContact O-N 3.13Å; L67-R70 CarbonylContact O-C 3.32Å; L67-R70 WeakPolarHBondContact O-CA 3.33Å; L67-R70 WeakPolarHBondContact O-CB 3.17Å; L67-R70 PolarHBondContact O-N 2.94Å; L67-G71 PolarHBondContact O-N 3.38Å; L67-A72 HydrophobicContact CB-CB 4.29Å; L67-A72 WeakPolarHBondContact O-CB 3.11Å; L67-A72 PolarHBondContact O-N 3Å; L67-A72 VanDerWaalsContact O-N 3.13Å; L67-V74 HydrophobicContact CB-CG2 4.41Å; L67-I143 HydrophobicContact CD1-CD1 3.48Å; L67-I143 VanDerWaalsContact CD1-CD1 3.48Å; L67-A289 HydrophobicContact CD2-CB 3.7Å
68	A	96.2	Very high	96.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68.4	-40.8	177.4	0	0	0	0	0	111.4	V64 R70 G71 V74 L107 Q111 L112	V64-A68 VanDerWaalsContact O-CB 3.23Å; V64-A68 WeakPolarHBondContact O-CB 3.19Å; V64-A68 PolarHBondContact O-N 3.41Å; A68-R70 PolarHBondContact O-N 3.27Å; A68-G71 WeakPolarHBondContact O-CA 3.27Å; A68-G71 PolarHBondContact O-N 3.35Å; A68-V74 HydrophobicContact CB-CG2 4.07Å; A68-L107 VanDerWaalsContact C-CD2 3.45Å; A68-L107 HydrophobicContact CB-CD1 4.41Å; A68-L107 HydrophobicContact CB-CD2 3.51Å; A68-Q111 PolarHBondContact O-OE1 3.22Å; A68-L112 HydrophobicContact CB-CD2 3.82Å
69	H	94.1	Very high	96.5	Very high	10 Å²	10	18.3 Å²	18.3	5%	0.046	8%	0.082	C	C	.	.	H	α-helix	trans	-62.6	-25.1	172.4	-77.9	96.4	0	0	0	112.7	R44 N65 E66 G71 T95 V105	R44-H69 PolarHBondContact NH1-O 3.31Å; N65-H69 PolarHBondContact O-N 2.79Å; N65-H69 VanDerWaalsContact O-N 3.11Å; N65-H69 PolarHBondContact O-ND1 2.92Å; N65-H69 PolarHBondContact OD1-CE1 2.66Å; N65-H69 PolarHBondContact OD1-ND1 3.47Å; E66-H69 PolarHBondContact O-N 3.45Å; H69-G71 PolarHBondContact O-N 3.48Å; H69-T95 PolarHBondContact CE1-OG1 3.23Å; H69-T95 WeakPolarHBondContact NE2-CG2 3.45Å; H69-T95 PolarHBondContact NE2-OG1 3.48Å; H69-V105 PolarHBondContact CD2-O 2.89Å; H69-V105 PolarHBondContact O-N 3.46Å; H69-V105 VanDerWaalsContact O-N 3.12Å
70	R	94	Very high	96.6	Very high	17 Å²	17	19.6 Å²	19.6	6%	0.064	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	6.5	170.1	-69.3	177	-177.3	-109.8	4.7	114.2	L41 D43 R44 L45 E66 L67 A68	L41-R70 VanDerWaalsContact O-CZ 3.22Å; L41-R70 PolarHBondContact O-NH1 3.07Å; L41-R70 PolarHBondContact O-NH2 3.29Å; D43-R70 PolarHBondContact O-NH1 3.46Å; R44-R70 PolarHBondContact NH2-O 2.94Å; L45-R70 HydrophobicContact CD1-CB 4.44Å; L45-R70 HydrophobicContact CG-CB 4.42Å; L45-R70 PolarHBondContact N-O 2.72Å; E66-R70 WeakPolarHBondContact O-CG 3.26Å; E66-R70 PolarHBondContact O-N 3.38Å; E66-R70 VanDerWaalsContact O-N 3.11Å; E66-R70 IonicContact OE1-CZ 2.76Å; E66-R70 IonicContact OE1-NE 3.13Å; E66-R70 PolarHBondContact OE1-NE 2.88Å; E66-R70 IonicContact OE1-NH2 3.49Å; E66-R70 PolarHBondContact OE1-NH2 3.18Å; E66-R70 VanDerWaalsContact OE1-NH2 3.13Å; L67-R70 CarbonylContact O-C 3.32Å; L67-R70 WeakPolarHBondContact O-CA 3.33Å; L67-R70 WeakPolarHBondContact O-CB 3.17Å; L67-R70 PolarHBondContact O-N 2.94Å; A68-R70 PolarHBondContact O-N 3.27Å
71	G	93.8	Very high	96.7	Very high	18 Å²	18	23.2 Å²	23.2	19%	0.186	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	6.3	171.7	0	0	0	0	0	115	L45 D46 L67 A68 H69	L45-G71 CarbonylContact O-C 3.5Å; D46-G71 WeakPolarHBondContact OD1-CA 3.49Å; L67-G71 PolarHBondContact O-N 3.38Å; A68-G71 WeakPolarHBondContact O-CA 3.27Å; A68-G71 PolarHBondContact O-N 3.35Å; H69-G71 PolarHBondContact O-N 3.48Å
72	A	96.4	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.136	C	C	.	.			trans	-68.5	139.3	176.6	0	0	0	0	0	110.9	L45 K48 V50 L67 V74	L45-A72 HydrophobicContact CB-CB 3.79Å; L45-A72 HydrophobicContact CD1-CB 4.05Å; K48-A72 WeakPolarHBondContact O-CA 3.2Å; V50-A72 HydrophobicContact CG2-CB 3.81Å; L67-A72 HydrophobicContact CB-CB 4.29Å; L67-A72 WeakPolarHBondContact O-CB 3.11Å; L67-A72 PolarHBondContact O-N 3Å; L67-A72 VanDerWaalsContact O-N 3.13Å; A72-V74 HydrophobicContact CB-CG2 3.94Å; A72-V74 PolarHBondContact O-N 3.05Å
73	R	97.4	Very high	96.8	Very high	74 Å²	74	33.8 Å²	33.8	28%	0.279	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	115.5	160	178.2	172.1	165.3	-89.3	4.7	108.2	K48 T49 V50 Q111 I113 E136	K48-R73 PolarHBondContact O-N 3.48Å; T49-R73 CarbonylContact C-O 3.57Å; T49-R73 VanDerWaalsContact CA-O 3.29Å; T49-R73 WeakPolarHBondContact CA-O 3.5Å; T49-R73 PolarHBondContact OG1-NH1 2.9Å; T49-R73 VanDerWaalsContact OG1-NH1 3.09Å; V50-R73 PolarHBondContact N-O 3.07Å; R73-Q111 CarbonylContact C-O 3.55Å; R73-Q111 WeakPolarHBondContact CA-O 3.12Å; R73-I113 HydrophobicContact CG-CD1 4.33Å; R73-E136 IonicContact CZ-OE1 3.5Å; R73-E136 IonicContact CZ-OE2 3.11Å; R73-E136 IonicContact NH1-OE1 2.8Å; R73-E136 PolarHBondContact NH1-OE1 2.86Å; R73-E136 IonicContact NH1-OE2 3.51Å; R73-E136 PolarHBondContact NH1-OE2 2.79Å; R73-E136 IonicContact NH2-OE1 3.29Å; R73-E136 PolarHBondContact NH2-OE1 3.34Å; R73-E136 IonicContact NH2-OE2 3.2Å
74	V	98.5	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.5	-172	-168.6	0	0	0	0	111.7	V50 V52 V64 L67 A68 A72 M76 Q111 L112 I113	V50-V74 CarbonylContact O-C 3.52Å; V50-V74 WeakPolarHBondContact O-CA 3.25Å; V52-V74 HydrophobicContact CG2-CG1 3.9Å; V64-V74 HydrophobicContact CB-CG1 4.39Å; V64-V74 HydrophobicContact CG1-CB 4.2Å; V64-V74 HydrophobicContact CG1-CG1 3.9Å; V64-V74 HydrophobicContact CG1-CG2 4.47Å; V64-V74 HydrophobicContact CG2-CG1 3.9Å; L67-V74 HydrophobicContact CB-CG2 4.41Å; A68-V74 HydrophobicContact CB-CG2 4.07Å; A72-V74 HydrophobicContact CB-CG2 3.94Å; A72-V74 PolarHBondContact O-N 3.05Å; V74-M76 HydrophobicContact CG1-CG 4.41Å; V74-M76 PolarHBondContact O-N 3.24Å; V74-Q111 PolarHBondContact N-O 2.84Å; V74-L112 HydrophobicContact CB-CD2 4.04Å; V74-L112 HydrophobicContact CG2-CD2 4.42Å; V74-I113 PolarHBondContact O-N 3.48Å
75	I	98.7	Very high	96.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	107.9	168.5	-61.7	167.5	0	0	0	107.8	T49 V50 I51 V52 A77 I113 E115 F128 I132 E136	T49-I75 HydrophobicContact CG2-CD1 3.58Å; T49-I75 HydrophobicContact CG2-CG1 4.12Å; V50-I75 PolarHBondContact O-N 3.49Å; I51-I75 HydrophobicContact CD1-CD1 4.49Å; I51-I75 HydrophobicContact CG1-CB 3.96Å; I51-I75 HydrophobicContact CG1-CD1 4.02Å; I51-I75 HydrophobicContact CG1-CG2 4.28Å; V52-I75 PolarHBondContact N-O 3.26Å; I75-A77 PolarHBondContact O-N 3.31Å; I75-I113 CarbonylContact C-O 3.55Å; I75-I113 WeakPolarHBondContact CA-O 3.36Å; I75-I113 HydrophobicContact CG1-CB 4.47Å; I75-E115 HydrophobicContact CG2-CB 4.17Å; I75-E115 HydrophobicContact CG2-CG 4.04Å; I75-F128 HydrophobicContact CG2-CE2 4.49Å; I75-F128 HydrophobicContact CG2-CZ 4.41Å; I75-I132 HydrophobicContact CD1-CD1 4.07Å; I75-I132 HydrophobicContact CG2-CD1 4.16Å; I75-E136 HydrophobicContact CD1-CG 3.98Å
76	M	98.7	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	94.5	179.1	-61.5	-179.4	72.4	0	0	109.9	C55 V64 V74 C84 A87 R88 L91 L112 I113 E115	C55-M76 WeakPolarHBondContact SG-CA 3.28Å; C55-M76 VanDerWaalsContact SG-CB 3.53Å; V64-M76 HydrophobicContact CG1-CE 4.27Å; V64-M76 HydrophobicContact CG1-CG 4.13Å; V64-M76 HydrophobicContact CG1-SD 4.11Å; V64-M76 HydrophobicContact CG2-CG 4.35Å; V74-M76 HydrophobicContact CG1-CG 4.41Å; V74-M76 PolarHBondContact O-N 3.24Å; M76-C84 PolarHBondContact O-SG 3.04Å; M76-A87 HydrophobicContact CE-CB 4.25Å; M76-R88 HydrophobicContact SD-CB 4.18Å; M76-R88 HydrophobicContact SD-CG 4.37Å; M76-L91 HydrophobicContact CE-CD1 4.05Å; M76-L91 HydrophobicContact SD-CD1 4.41Å; M76-L112 HydrophobicContact SD-CB 4.22Å; M76-L112 HydrophobicContact SD-CD1 4.49Å; M76-L112 HydrophobicContact SD-CD2 4.43Å; M76-I113 PolarHBondContact N-O 3.06Å; M76-E115 PolarHBondContact O-N 3.46Å
77	A	98.6	Very high	97.1	Very high	1 Å²	1	38 Å²	38	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	110.1	-176.9	0	0	0	0	0	111	I51 V52 T53 G54 I75 E115 L117 F128	I51-A77 HydrophobicContact CG2-CB 4.26Å; V52-A77 PolarHBondContact O-N 2.88Å; T53-A77 CarbonylContact C-O 3.53Å; T53-A77 WeakPolarHBondContact CA-O 3.28Å; T53-A77 HydrophobicContact CG2-CB 4.43Å; G54-A77 PolarHBondContact N-O 2.79Å; I75-A77 PolarHBondContact O-N 3.31Å; A77-E115 WeakPolarHBondContact CA-O 3.38Å; A77-L117 HydrophobicContact CB-CB 4.05Å; A77-L117 HydrophobicContact CB-CD2 3.7Å; A77-F128 HydrophobicContact CB-CE2 3.63Å; A77-F128 HydrophobicContact CB-CZ 3.71Å
78	C	98	Very high	97.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	151.5	-175.2	-68.8	0	0	0	0	112.1	C55 N56 C84 E115 E116 L117	C55-C78 PolarHBondContact N-SG 3.45Å; C55-C78 VanDerWaalsContact SG-SG 3.67Å; N56-C78 HydrophobicContact CB-CB 4.48Å; N56-C78 PolarHBondContact N-SG 2.77Å; N56-C78 VanDerWaalsContact N-SG 3.41Å; C78-C84 HydrophobicContact CB-CB 3.8Å; C78-C84 VanDerWaalsContact SG-SG 3.63Å; C78-E115 PolarHBondContact N-O 3.25Å; C78-E116 WeakPolarHBondContact O-CA 3.36Å; C78-L117 CarbonylContact C-O 3.58Å; C78-L117 PolarHBondContact O-N 3.46Å
79	R	96.1	Very high	97.1	Very high	143 Å²	143	44.6 Å²	44.6	54%	0.54	20%	0.2	S	C	.	.	S	Bend	trans	-66.1	-40.1	178.4	-176.8	174.7	69	-170.6	-0.1	113.5	L117 D118 E120	R79-L117 WeakPolarHBondContact CA-O 3.4Å; R79-L117 PolarHBondContact N-O 2.93Å; R79-L117 VanDerWaalsContact N-O 3.13Å; R79-D118 WeakPolarHBondContact CD-OD1 3.46Å; R79-D118 HydrophobicContact CG-CB 3.94Å; R79-E120 IonicContact NH1-OE1 3.63Å; R79-E120 PolarHBondContact NH1-OE1 2.8Å
80	D	96.9	Very high	97.2	Very high	50 Å²	50	48.2 Å²	48.2	27%	0.267	22%	0.217	S	C	.	.			trans	-108	101.9	-177	-179.9	-30.2	0	0	0	108.2	R82 K83 C84	D80-R82 PolarHBondContact O-N 3.49Å; D80-R82 WeakPolarHBondContact OD1-CB 3.39Å; D80-R82 PolarHBondContact OD1-N 3.27Å; D80-K83 HydrophobicContact CB-CB 4.08Å; D80-K83 HydrophobicContact CB-CD 4Å; D80-K83 HydrophobicContact CB-CG 4.2Å; D80-K83 PolarHBondContact O-N 2.87Å; D80-K83 VanDerWaalsContact O-N 3.14Å; D80-K83 PolarHBondContact OD1-N 3.49Å; D80-K83 VanDerWaalsContact OD2-CD 3.24Å; D80-K83 WeakPolarHBondContact OD2-CD 3.25Å; D80-K83 WeakPolarHBondContact OD2-CE 3.29Å; D80-K83 WeakPolarHBondContact OD2-CG 3.34Å; D80-K83 IonicContact OD2-NZ 3.58Å; D80-K83 PolarHBondContact OD2-NZ 3.26Å; D80-K83 VanDerWaalsContact OD2-NZ 3.11Å; D80-C84 PolarHBondContact O-N 2.83Å
81	L	97	Very high	97.3	Very high	78 Å²	78	47.4 Å²	47.4	41%	0.408	21%	0.214	S	C	.	.	H	α-helix	trans	-61.1	-33.5	-174.9	-170.4	64.3	0	0	0	112.2	C84 E85 C114	L81-C84 VanDerWaalsContact O-CB 3.3Å; L81-C84 WeakPolarHBondContact O-CB 3.25Å; L81-C84 PolarHBondContact O-N 2.81Å; L81-E85 PolarHBondContact O-N 3.35Å; L81-C114 HydrophobicContact CD1-CB 3.79Å
82	R	98.1	Very high	97.3	Very high	164 Å²	164	47.8 Å²	47.8	62%	0.619	21%	0.211	S	C	*	.	H	α-helix	trans	-66.6	-42.8	176.5	-173.6	-173.1	65.9	87.9	1.1	111.3	D80 C84 E85 L86	D80-R82 PolarHBondContact O-N 3.49Å; D80-R82 WeakPolarHBondContact OD1-CB 3.39Å; D80-R82 PolarHBondContact OD1-N 3.27Å; R82-C84 VanDerWaalsContact C-N 3.29Å; R82-E85 PolarHBondContact O-N 3.33Å; R82-L86 WeakPolarHBondContact O-CG 3.47Å; R82-L86 PolarHBondContact O-N 3.01Å
83	K	97.8	Very high	97	Very high	94 Å²	94	51.8 Å²	51.8	41%	0.409	24%	0.236	S	C	.	.	H	α-helix	trans	-66.5	-33.5	173.1	-72.5	177.4	-171	148	0	112.2	N56 D80 A87	N56-K83 HydrophobicContact CB-CB 4.37Å; D80-K83 HydrophobicContact CB-CB 4.08Å; D80-K83 HydrophobicContact CB-CD 4Å; D80-K83 HydrophobicContact CB-CG 4.2Å; D80-K83 PolarHBondContact O-N 2.87Å; D80-K83 VanDerWaalsContact O-N 3.14Å; D80-K83 PolarHBondContact OD1-N 3.49Å; D80-K83 VanDerWaalsContact OD2-CD 3.24Å; D80-K83 WeakPolarHBondContact OD2-CD 3.25Å; D80-K83 WeakPolarHBondContact OD2-CE 3.29Å; D80-K83 WeakPolarHBondContact OD2-CG 3.34Å; D80-K83 IonicContact OD2-NZ 3.58Å; D80-K83 PolarHBondContact OD2-NZ 3.26Å; D80-K83 VanDerWaalsContact OD2-NZ 3.11Å; K83-A87 WeakPolarHBondContact O-CB 3.47Å; K83-A87 PolarHBondContact O-N 3.2Å
84	C	98.1	Very high	96.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-47.8	174	-158.1	0	0	0	0	110.9	M76 C78 D80 L81 R82 L86 A87 R88 C114	M76-C84 PolarHBondContact O-SG 3.04Å; C78-C84 HydrophobicContact CB-CB 3.8Å; C78-C84 VanDerWaalsContact SG-SG 3.63Å; D80-C84 PolarHBondContact O-N 2.83Å; L81-C84 VanDerWaalsContact O-CB 3.3Å; L81-C84 WeakPolarHBondContact O-CB 3.25Å; L81-C84 PolarHBondContact O-N 2.81Å; R82-C84 VanDerWaalsContact C-N 3.29Å; C84-L86 PolarHBondContact O-N 2.81Å; C84-A87 WeakPolarHBondContact O-CB 3.43Å; C84-A87 PolarHBondContact O-N 3.25Å; C84-R88 PolarHBondContact O-N 3.14Å; C84-C114 HydrophobicContact CB-CB 4.15Å; C84-C114 PolarHBondContact SG-SG 3Å
85	E	98.1	Very high	95.9	Very high	55 Å²	55	52.2 Å²	52.2	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-65.3	-39.2	179.4	-178.3	54.4	-150.3	0	0	112.5	L81 R82 A87 R88 Q89	L81-E85 PolarHBondContact O-N 3.35Å; R82-E85 PolarHBondContact O-N 3.33Å; E85-A87 VanDerWaalsContact C-N 3.32Å; E85-A87 PolarHBondContact O-N 2.78Å; E85-R88 WeakPolarHBondContact O-CB 3.42Å; E85-R88 PolarHBondContact O-N 2.96Å; E85-R88 IonicContact OE1-CZ 3.72Å; E85-R88 IonicContact OE1-NE 2.66Å; E85-R88 PolarHBondContact OE1-NE 3.08Å; E85-R88 IonicContact OE1-NH2 3.55Å; E85-R88 PolarHBondContact OE1-NH2 3.2Å; E85-R88 IonicContact OE2-CZ 3.72Å; E85-R88 IonicContact OE2-NE 3.35Å; E85-R88 PolarHBondContact OE2-NE 3.03Å; E85-R88 IonicContact OE2-NH2 3.28Å; E85-Q89 WeakPolarHBondContact O-CG 3.18Å; E85-Q89 PolarHBondContact O-N 2.93Å; E85-Q89 PolarHBondContact OE1-NE2 2.68Å
86	L	98.1	Very high	95	Very high	88 Å²	88	56.3 Å²	56.3	46%	0.461	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-41.6	172.7	-71.4	172.6	0	0	0	112	R82 C84 Q89 E90	R82-L86 WeakPolarHBondContact O-CG 3.47Å; R82-L86 PolarHBondContact O-N 3.01Å; C84-L86 PolarHBondContact O-N 2.81Å; L86-Q89 PolarHBondContact O-N 2.86Å; L86-E90 WeakPolarHBondContact O-CB 3.5Å; L86-E90 PolarHBondContact O-N 3.06Å
87	A	97.6	Very high	94	Very high	3 Å²	3	62.6 Å²	62.6	3%	0.025	30%	0.3	C	S	.	.	H	α-helix	trans	-65.8	-39.4	176.3	0	0	0	0	0	111.8	N56 L61 M76 K83 C84 E85 E90 L91	N56-A87 HydrophobicContact CB-CB 4.16Å; N56-A87 WeakPolarHBondContact O-CB 3.38Å; L61-A87 HydrophobicContact CD1-CB 3.9Å; M76-A87 HydrophobicContact CE-CB 4.25Å; K83-A87 WeakPolarHBondContact O-CB 3.47Å; K83-A87 PolarHBondContact O-N 3.2Å; C84-A87 WeakPolarHBondContact O-CB 3.43Å; C84-A87 PolarHBondContact O-N 3.25Å; E85-A87 VanDerWaalsContact C-N 3.32Å; E85-A87 PolarHBondContact O-N 2.78Å; A87-E90 WeakPolarHBondContact O-CB 3.17Å; A87-E90 PolarHBondContact O-N 3.39Å; A87-L91 WeakPolarHBondContact O-CG 2.89Å; A87-L91 PolarHBondContact O-N 3.25Å; A87-L91 VanDerWaalsContact O-N 3.07Å
88	R	97.7	Very high	92.7	Very high	47 Å²	47	67.4 Å²	67.4	18%	0.177	32%	0.322	C	S	.	.	H	α-helix	trans	-58.7	-48.3	172.9	-171	-178.9	77.3	95	8.1	111.3	M76 C84 E85 E90 L91 L92 P109 L112	M76-R88 HydrophobicContact SD-CB 4.18Å; M76-R88 HydrophobicContact SD-CG 4.37Å; C84-R88 PolarHBondContact O-N 3.14Å; E85-R88 WeakPolarHBondContact O-CB 3.42Å; E85-R88 PolarHBondContact O-N 2.96Å; E85-R88 IonicContact OE1-CZ 3.72Å; E85-R88 IonicContact OE1-NE 2.66Å; E85-R88 PolarHBondContact OE1-NE 3.08Å; E85-R88 IonicContact OE1-NH2 3.55Å; E85-R88 PolarHBondContact OE1-NH2 3.2Å; E85-R88 IonicContact OE2-CZ 3.72Å; E85-R88 IonicContact OE2-NE 3.35Å; E85-R88 PolarHBondContact OE2-NE 3.03Å; E85-R88 IonicContact OE2-NH2 3.28Å; R88-E90 VanDerWaalsContact C-N 3.32Å; R88-E90 PolarHBondContact O-N 2.92Å; R88-L91 PolarHBondContact O-N 2.79Å; R88-L92 HydrophobicContact CG-CD1 4.36Å; R88-L92 WeakPolarHBondContact O-CG 3.5Å; R88-L92 PolarHBondContact O-N 2.76Å; R88-L92 VanDerWaalsContact O-N 3.11Å; R88-P109 PolarHBondContact NH1-O 3.32Å; R88-L112 VanDerWaalsContact CD-O 3.28Å; R88-L112 WeakPolarHBondContact CD-O 3.43Å; R88-L112 HydrophobicContact CG-CB 3.71Å; R88-L112 HydrophobicContact CG-CD1 3.92Å; R88-L112 HydrophobicContact CG-CG 4.49Å
89	Q	96.7	Very high	91.1	Very high	92 Å²	92	76.7 Å²	76.7	43%	0.43	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-37.6	177.6	-70.8	172.3	10.6	0	0	112.5	E85 L86 L92 T93	E85-Q89 WeakPolarHBondContact O-CG 3.18Å; E85-Q89 PolarHBondContact O-N 2.93Å; E85-Q89 PolarHBondContact OE1-NE2 2.68Å; L86-Q89 PolarHBondContact O-N 2.86Å; Q89-L92 PolarHBondContact O-N 2.73Å; Q89-T93 WeakPolarHBondContact O-CB 3.38Å; Q89-T93 PolarHBondContact O-N 3.27Å; Q89-T93 PolarHBondContact O-OG1 2.92Å
90	E	95.4	Very high	89.2	Confident	86 Å²	86	76.1 Å²	76.1	40%	0.402	38%	0.377	S	S	.	.	H	α-helix	trans	-60.5	-47	174.7	-178.3	174.8	175.3	0	0	111.5	L86 A87 R88 T93 R94	L86-E90 WeakPolarHBondContact O-CB 3.5Å; L86-E90 PolarHBondContact O-N 3.06Å; A87-E90 WeakPolarHBondContact O-CB 3.17Å; A87-E90 PolarHBondContact O-N 3.39Å; R88-E90 VanDerWaalsContact C-N 3.32Å; R88-E90 PolarHBondContact O-N 2.92Å; E90-T93 PolarHBondContact O-N 3.25Å; E90-R94 WeakPolarHBondContact O-CG 3.37Å; E90-R94 PolarHBondContact O-N 3.39Å; E90-R94 IonicContact OE1-CZ 3.87Å; E90-R94 IonicContact OE1-NE 2.74Å; E90-R94 PolarHBondContact OE1-NE 3.39Å; E90-R94 IonicContact OE1-NH2 2.79Å; E90-R94 PolarHBondContact OE1-NH2 3.47Å
91	L	95.1	Very high	87.5	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-45.8	177.6	-68	175	0	0	0	112.4	L61 V64 N65 M76 A87 R88 T93 R94 T95 L107 L112	L61-L91 HydrophobicContact CD1-CD1 3.83Å; L61-L91 HydrophobicContact CD1-CD2 3.79Å; L61-L91 HydrophobicContact CD1-CG 3.73Å; L61-L91 HydrophobicContact CG-CD2 4.11Å; V64-L91 HydrophobicContact CB-CD1 4.2Å; V64-L91 HydrophobicContact CG1-CD1 3.57Å; N65-L91 HydrophobicContact CB-CD2 3.64Å; M76-L91 HydrophobicContact CE-CD1 4.05Å; M76-L91 HydrophobicContact SD-CD1 4.41Å; A87-L91 WeakPolarHBondContact O-CG 2.89Å; A87-L91 PolarHBondContact O-N 3.25Å; A87-L91 VanDerWaalsContact O-N 3.07Å; R88-L91 PolarHBondContact O-N 2.79Å; L91-T93 VanDerWaalsContact C-N 3.31Å; L91-T93 PolarHBondContact O-N 2.78Å; L91-R94 PolarHBondContact O-N 3.14Å; L91-T95 PolarHBondContact O-N 3.23Å; L91-T95 VanDerWaalsContact O-N 3.16Å; L91-T95 PolarHBondContact O-OG1 2.73Å; L91-L107 HydrophobicContact CB-CD1 4.14Å; L91-L112 HydrophobicContact CB-CD1 4.05Å; L91-L112 HydrophobicContact CD1-CD1 3.94Å
92	L	93.7	Very high	85.6	Confident	26 Å²	26	80.2 Å²	80.2	14%	0.136	41%	0.409	C	S	.	.	H	α-helix	trans	-61.1	-42.3	177.1	-65.3	170.9	0	0	0	111.1	R88 Q89 T95 C96 L107 P109 L112	R88-L92 HydrophobicContact CG-CD1 4.36Å; R88-L92 WeakPolarHBondContact O-CG 3.5Å; R88-L92 PolarHBondContact O-N 2.76Å; R88-L92 VanDerWaalsContact O-N 3.11Å; Q89-L92 PolarHBondContact O-N 2.73Å; L92-T95 PolarHBondContact O-N 2.98Å; L92-C96 PolarHBondContact O-N 2.88Å; L92-C96 PolarHBondContact O-SG 3.34Å; L92-C96 VanDerWaalsContact O-SG 3.32Å; L92-L107 HydrophobicContact CD2-CB 4Å; L92-L107 WeakPolarHBondContact CD2-O 3.49Å; L92-P109 HydrophobicContact CD1-CB 4.22Å; L92-P109 HydrophobicContact CD1-CG 4.4Å; L92-P109 HydrophobicContact CD2-CG 4.4Å; L92-L112 HydrophobicContact CD2-CD1 4.34Å; L92-L112 HydrophobicContact CG-CD1 4.43Å
93	T	91.4	Very high	84	Confident	84 Å²	84	76.1 Å²	76.1	52%	0.515	40%	0.399	S	S	.	.	H	α-helix	trans	-68.4	-40.4	179.3	-55.1	0	0	0	0	112.5	Q89 E90 L91 T95 C96 N97	Q89-T93 WeakPolarHBondContact O-CB 3.38Å; Q89-T93 PolarHBondContact O-N 3.27Å; Q89-T93 PolarHBondContact O-OG1 2.92Å; E90-T93 PolarHBondContact O-N 3.25Å; L91-T93 VanDerWaalsContact C-N 3.31Å; L91-T93 PolarHBondContact O-N 2.78Å; T93-T95 VanDerWaalsContact C-N 3.3Å; T93-T95 PolarHBondContact O-N 3.41Å; T93-C96 PolarHBondContact O-N 3.2Å; T93-N97 PolarHBondContact O-N 3.22Å; T93-N97 PolarHBondContact O-ND2 3.45Å
94	R	89.9	Confident	82.7	Confident	72 Å²	72	73.7 Å²	73.7	27%	0.272	39%	0.394	S	S	.	.	H	α-helix	trans	-58.1	-45.9	175.8	-74.5	177.6	-175.1	-163	6.2	110.6	E62 E90 L91 C96 N97 E98	E62-R94 IonicContact OE1-CZ 2.6Å; E62-R94 IonicContact OE1-NH1 3.82Å; E62-R94 PolarHBondContact OE1-NH1 2.97Å; E62-R94 IonicContact OE1-NH2 3.57Å; E62-R94 IonicContact OE2-NH1 2.94Å; E90-R94 WeakPolarHBondContact O-CG 3.37Å; E90-R94 PolarHBondContact O-N 3.39Å; E90-R94 IonicContact OE1-CZ 3.87Å; E90-R94 IonicContact OE1-NE 2.74Å; E90-R94 PolarHBondContact OE1-NE 3.39Å; E90-R94 IonicContact OE1-NH2 2.79Å; E90-R94 PolarHBondContact OE1-NH2 3.47Å; L91-R94 PolarHBondContact O-N 3.14Å; R94-C96 VanDerWaalsContact C-N 3.33Å; R94-C96 PolarHBondContact O-N 3.36Å; R94-N97 PolarHBondContact O-N 3.26Å; R94-E98 WeakPolarHBondContact O-CG 3.29Å; R94-E98 PolarHBondContact O-N 3.32Å; R94-E98 VanDerWaalsContact O-N 3.12Å
95	T	83.4	Confident	81.8	Confident	11 Å²	11	77.4 Å²	77.4	7%	0.067	42%	0.417	C	S	.	.	H	α-helix	trans	-64.5	-35.2	-177.5	-47.3	0	0	0	0	113.1	H69 L91 L92 T93 N97 E98 L107	H69-T95 PolarHBondContact CE1-OG1 3.23Å; H69-T95 WeakPolarHBondContact NE2-CG2 3.45Å; H69-T95 PolarHBondContact NE2-OG1 3.48Å; L91-T95 PolarHBondContact O-N 3.23Å; L91-T95 VanDerWaalsContact O-N 3.16Å; L91-T95 PolarHBondContact O-OG1 2.73Å; L92-T95 PolarHBondContact O-N 2.98Å; T93-T95 VanDerWaalsContact C-N 3.3Å; T93-T95 PolarHBondContact O-N 3.41Å; T95-N97 PolarHBondContact O-N 2.96Å; T95-E98 PolarHBondContact O-N 2.74Å; T95-L107 HydrophobicContact CG2-CB 4.05Å; T95-L107 HydrophobicContact CG2-CG 3.95Å; T95-L107 WeakPolarHBondContact OG1-CD1 3.29Å; T95-L107 WeakPolarHBondContact OG1-CG 3.39Å
96	C	78.7	Confident	81.1	Confident	88 Å²	88	79 Å²	79	60%	0.595	42%	0.424	S	S	*	.	H	α-helix	trans	-65	-24.2	173.9	-66.2	0	0	0	0	113.7	L92 T93 R94	L92-C96 PolarHBondContact O-N 2.88Å; L92-C96 PolarHBondContact O-SG 3.34Å; L92-C96 VanDerWaalsContact O-SG 3.32Å; T93-C96 PolarHBondContact O-N 3.2Å; R94-C96 VanDerWaalsContact C-N 3.33Å; R94-C96 PolarHBondContact O-N 3.36Å
97	N	77	Confident	80.8	Confident	131 Å²	131	75 Å²	75	70%	0.701	40%	0.403	S	S	*	.	H	α-helix	trans	-98.2	-15.2	-177.5	-67.8	-56.1	0	0	0	113.3	T93 R94 T95	T93-N97 PolarHBondContact O-N 3.22Å; T93-N97 PolarHBondContact O-ND2 3.45Å; R94-N97 PolarHBondContact O-N 3.26Å; T95-N97 PolarHBondContact O-N 2.96Å
98	E	72.8	Confident	80.4	Confident	103 Å²	103	79.5 Å²	79.5	48%	0.481	42%	0.424	S	S	.	.	S	Bend	trans	-81.5	144.9	179.6	-75.2	178.5	-167.2	0	0	111.4	R94 T95	R94-E98 WeakPolarHBondContact O-CG 3.29Å; R94-E98 PolarHBondContact O-N 3.32Å; R94-E98 VanDerWaalsContact O-N 3.12Å; T95-E98 PolarHBondContact O-N 2.74Å
99	K	62.9	Low	80	Confident	196 Å²	196	80.6 Å²	80.6	85%	0.852	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-69.4	134.9	171.7	-73.9	-176.4	178.8	-180	0	108.5	S101	K99-S101 PolarHBondContact O-N 2.82Å
100	P	57.9	Low	79.9	Confident	130 Å²	130	82 Å²	82	84%	0.844	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-51.9	125.7	175.1	-23.8	31.3	0	0	0	110.7
101	S	59.5	Low	79.9	Confident	57 Å²	57	79.1 Å²	79.1	40%	0.399	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-101	149.7	171.1	110.9	0	0	0	0	108.5	K99 L103 S104	K99-S101 PolarHBondContact O-N 2.82Å; S101-L103 PolarHBondContact O-N 3.09Å; S101-L103 VanDerWaalsContact O-N 3.12Å; S101-L103 PolarHBondContact OG-N 3.42Å; S101-S104 PolarHBondContact O-N 3.33Å; S101-S104 VanDerWaalsContact O-N 3.1Å; S101-S104 VanDerWaalsContact OG-CB 3.23Å; S101-S104 WeakPolarHBondContact OG-CB 3.48Å; S101-S104 PolarHBondContact OG-N 3.33Å; S101-S104 PolarHBondContact OG-OG 3.41Å
102	V	58.8	Low	80	Confident	157 Å²	157	79.3 Å²	79.3	95%	0.952	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.2	-176.6	179.6	0	0	0	0	112.5
103	L	62.6	Low	80.2	Confident	78 Å²	78	80 Å²	80	41%	0.408	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-12.3	-178.7	-70.2	167.7	0	0	0	113.6	E42 R44 S101	E42-L103 HydrophobicContact CB-CD2 4.11Å; E42-L103 HydrophobicContact CG-CD1 4.1Å; E42-L103 HydrophobicContact CG-CD2 4.42Å; R44-L103 PolarHBondContact NH1-O 2.73Å; S101-L103 PolarHBondContact O-N 3.09Å; S101-L103 VanDerWaalsContact O-N 3.12Å; S101-L103 PolarHBondContact OG-N 3.42Å
104	S	71.7	Confident	80.6	Confident	44 Å²	44	77.2 Å²	77.2	31%	0.308	42%	0.422	S	S	.	.			trans	-105.4	113.3	-171.7	-57.6	0	0	0	0	110.3	S101	S101-S104 PolarHBondContact O-N 3.33Å; S101-S104 VanDerWaalsContact O-N 3.1Å; S101-S104 VanDerWaalsContact OG-CB 3.23Å; S101-S104 WeakPolarHBondContact OG-CB 3.48Å; S101-S104 PolarHBondContact OG-N 3.33Å; S101-S104 PolarHBondContact OG-OG 3.41Å
105	V	79.4	Confident	81	Confident	77 Å²	77	74.7 Å²	74.7	47%	0.467	41%	0.413	S	S	.	.			trans	-80.6	148.2	172.3	-178.1	0	0	0	0	109.3	H69	H69-V105 PolarHBondContact CD2-O 2.89Å; H69-V105 PolarHBondContact O-N 3.46Å; H69-V105 VanDerWaalsContact O-N 3.12Å
106	H	83.9	Confident	81.7	Confident	90 Å²	90	78.8 Å²	78.8	42%	0.417	43%	0.431	S	S	.	.			trans	-57.9	141.5	172.2	-172.7	75.4	0	0	0	110.4	E108	H106-E108 IonicContact CD2-OE1 3.58Å; H106-E108 PolarHBondContact O-N 2.91Å
107	L	90	Very high	82.6	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.01	40%	0.404	C	S	.	.			trans	-81.8	107.5	-178.2	-67.5	-168	0	0	0	110.8	A68 L91 L92 T95 Q111 L112	A68-L107 VanDerWaalsContact C-CD2 3.45Å; A68-L107 HydrophobicContact CB-CD1 4.41Å; A68-L107 HydrophobicContact CB-CD2 3.51Å; L91-L107 HydrophobicContact CB-CD1 4.14Å; L92-L107 HydrophobicContact CD2-CB 4Å; L92-L107 WeakPolarHBondContact CD2-O 3.49Å; T95-L107 HydrophobicContact CG2-CB 4.05Å; T95-L107 HydrophobicContact CG2-CG 3.95Å; T95-L107 WeakPolarHBondContact OG1-CD1 3.29Å; T95-L107 WeakPolarHBondContact OG1-CG 3.39Å; L107-Q111 VanDerWaalsContact CD2-NE2 3.35Å; L107-L112 HydrophobicContact CD1-CD1 4.45Å
108	E	89.3	Confident	83.6	Confident	99 Å²	99	70.7 Å²	70.7	46%	0.463	38%	0.382	S	S	.	.			trans	-71.8	140.1	167.5	-58.6	-54.5	138.3	0	0	112.9	H106 D110 Q111	H106-E108 IonicContact CD2-OE1 3.58Å; H106-E108 PolarHBondContact O-N 2.91Å; E108-D110 VanDerWaalsContact C-N 3.28Å; E108-D110 WeakPolarHBondContact CB-OD1 3.46Å; E108-D110 PolarHBondContact O-N 2.71Å; E108-Q111 VanDerWaalsContact O-CG 3.26Å; E108-Q111 WeakPolarHBondContact O-CG 3.42Å; E108-Q111 PolarHBondContact O-N 2.77Å; E108-Q111 PolarHBondContact O-NE2 3.05Å
109	P	90.8	Very high	84.7	Confident	69 Å²	69	66.3 Å²	66.3	45%	0.448	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-61.8	-28.8	-178.6	-26.1	34.9	0	0	0	115.6	R88 L92	R88-P109 PolarHBondContact NH1-O 3.32Å; L92-P109 HydrophobicContact CD1-CB 4.22Å; L92-P109 HydrophobicContact CD1-CG 4.4Å; L92-P109 HydrophobicContact CD2-CG 4.4Å
110	D	93.8	Very high	86.2	Confident	123 Å²	123	59.7 Å²	59.7	66%	0.658	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-79.3	-18.7	-176.1	66.8	-33.7	0	0	0	113.3	E108 L112	E108-D110 VanDerWaalsContact C-N 3.28Å; E108-D110 WeakPolarHBondContact CB-OD1 3.46Å; E108-D110 PolarHBondContact O-N 2.71Å; D110-L112 VanDerWaalsContact C-N 3.3Å
111	Q	95.1	Very high	88	Confident	24 Å²	24	55.2 Å²	55.2	11%	0.112	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-73	-24	174.5	92.7	-165.4	-69.3	0	0	112.2	A68 R73 V74 L107 E108	A68-Q111 PolarHBondContact O-OE1 3.22Å; R73-Q111 CarbonylContact C-O 3.55Å; R73-Q111 WeakPolarHBondContact CA-O 3.12Å; V74-Q111 PolarHBondContact N-O 2.84Å; L107-Q111 VanDerWaalsContact CD2-NE2 3.35Å; E108-Q111 VanDerWaalsContact O-CG 3.26Å; E108-Q111 WeakPolarHBondContact O-CG 3.42Å; E108-Q111 PolarHBondContact O-N 2.77Å; E108-Q111 PolarHBondContact O-NE2 3.05Å
112	L	97.9	Very high	89.7	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.1	-176.6	-61.8	-175.4	0	0	0	109.8	V64 A68 V74 M76 R88 L91 L92 L107 D110	V64-L112 HydrophobicContact CG1-CD2 3.83Å; A68-L112 HydrophobicContact CB-CD2 3.82Å; V74-L112 HydrophobicContact CB-CD2 4.04Å; V74-L112 HydrophobicContact CG2-CD2 4.42Å; M76-L112 HydrophobicContact SD-CB 4.22Å; M76-L112 HydrophobicContact SD-CD1 4.49Å; M76-L112 HydrophobicContact SD-CD2 4.43Å; R88-L112 VanDerWaalsContact CD-O 3.28Å; R88-L112 WeakPolarHBondContact CD-O 3.43Å; R88-L112 HydrophobicContact CG-CB 3.71Å; R88-L112 HydrophobicContact CG-CD1 3.92Å; R88-L112 HydrophobicContact CG-CG 4.49Å; L91-L112 HydrophobicContact CB-CD1 4.05Å; L91-L112 HydrophobicContact CD1-CD1 3.94Å; L92-L112 HydrophobicContact CD2-CD1 4.34Å; L92-L112 HydrophobicContact CG-CD1 4.43Å; L107-L112 HydrophobicContact CD1-CD1 4.45Å; D110-L112 VanDerWaalsContact C-N 3.3Å
113	I	98	Very high	91.4	Very high	42 Å²	42	54.6 Å²	54.6	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.3	-173.1	-61.8	171.1	0	0	0	109.6	R73 V74 I75 M76 E115	R73-I113 HydrophobicContact CG-CD1 4.33Å; V74-I113 PolarHBondContact O-N 3.48Å; I75-I113 CarbonylContact C-O 3.55Å; I75-I113 WeakPolarHBondContact CA-O 3.36Å; I75-I113 HydrophobicContact CG1-CB 4.47Å; M76-I113 PolarHBondContact N-O 3.06Å; I113-E115 HydrophobicContact CG2-CG 4.36Å
114	C	98.4	Very high	93.1	Very high	25 Å²	25	51.5 Å²	51.5	17%	0.169	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	126.2	176	-64.3	0	0	0	0	110.9	L81 C84	L81-C114 HydrophobicContact CD1-CB 3.79Å; C84-C114 HydrophobicContact CB-CB 4.15Å; C84-C114 PolarHBondContact SG-SG 3Å
115	E	98.3	Very high	94.4	Very high	19 Å²	19	49.4 Å²	49.4	9%	0.089	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.4	174.5	-81.3	-73.9	161.3	0	0	110.5	I75 M76 A77 C78 I113 F128 R131 I132 R135	I75-E115 HydrophobicContact CG2-CB 4.17Å; I75-E115 HydrophobicContact CG2-CG 4.04Å; M76-E115 PolarHBondContact O-N 3.46Å; A77-E115 WeakPolarHBondContact CA-O 3.38Å; C78-E115 PolarHBondContact N-O 3.25Å; I113-E115 HydrophobicContact CG2-CG 4.36Å; E115-F128 HydrophobicContact CB-CD2 3.97Å; E115-F128 HydrophobicContact CB-CE2 3.55Å; E115-F128 HydrophobicContact CG-CE2 4.33Å; E115-R131 IonicContact OE2-CZ 3.32Å; E115-R131 IonicContact OE2-NE 3.59Å; E115-R131 PolarHBondContact OE2-NE 2.91Å; E115-R131 IonicContact OE2-NH2 2.72Å; E115-R131 PolarHBondContact OE2-NH2 3.24Å; E115-I132 HydrophobicContact CG-CD1 4.32Å; E115-R135 IonicContact OE1-CZ 3.74Å; E115-R135 IonicContact OE1-NH1 2.63Å; E115-R135 PolarHBondContact OE1-NH1 3.4Å
116	E	98.2	Very high	95.3	Very high	97 Å²	97	50.7 Å²	50.7	45%	0.453	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.8	177.8	-174.2	179.9	178.7	0	0	110.9	C78 F128 R131	C78-E116 WeakPolarHBondContact O-CA 3.36Å; E116-F128 WeakPolarHBondContact O-CD2 3.5Å; E116-R131 PolarHBondContact O-NH2 2.93Å
117	L	98.5	Very high	95.9	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	25%	0.245	C	C	.	.			trans	-146.6	110.9	176.8	174.9	64.3	0	0	0	110.3	T53 A77 C78 R79 L119 I125 F128 L174	T53-L117 HydrophobicContact CG2-CD2 3.82Å; A77-L117 HydrophobicContact CB-CB 4.05Å; A77-L117 HydrophobicContact CB-CD2 3.7Å; C78-L117 CarbonylContact C-O 3.58Å; C78-L117 PolarHBondContact O-N 3.46Å; R79-L117 WeakPolarHBondContact CA-O 3.4Å; R79-L117 PolarHBondContact N-O 2.93Å; R79-L117 VanDerWaalsContact N-O 3.13Å; L117-L119 HydrophobicContact CD1-CD2 4.4Å; L117-L119 HydrophobicContact CD2-CD2 4.14Å; L117-L119 HydrophobicContact CD2-CG 4.43Å; L117-L119 HydrophobicContact CG-CD2 4.3Å; L117-L119 HydrophobicContact CG-CG 4.36Å; L117-I125 HydrophobicContact CD1-CB 4.38Å; L117-I125 HydrophobicContact CD1-CG1 4.01Å; L117-F128 HydrophobicContact CB-CD2 3.85Å; L117-F128 HydrophobicContact CB-CE2 4.22Å; L117-F128 HydrophobicContact CB-CG 4.18Å; L117-F128 HydrophobicContact CD1-CB 3.85Å; L117-F128 HydrophobicContact CD1-CD1 4.08Å; L117-F128 HydrophobicContact CD1-CD2 4.41Å; L117-F128 HydrophobicContact CD1-CG 3.86Å; L117-F128 HydrophobicContact CD2-CD1 4.45Å; L117-F128 HydrophobicContact CD2-CE1 4.42Å; L117-F128 HydrophobicContact CD2-CZ 4.48Å; L117-F128 HydrophobicContact CG-CG 4.42Å; L117-L174 HydrophobicContact CD1-CD1 4.26Å; L117-L174 HydrophobicContact CD2-CD1 4.34Å; L117-L174 HydrophobicContact CD2-CD2 3.86Å
118	D	97.5	Very high	96.4	Very high	43 Å²	43	50 Å²	50	23%	0.23	24%	0.244	C	C	.	.			trans	-100.1	107.6	168.5	-168.5	-1.6	0	0	0	111	R79 E120 S121 S124	R79-D118 WeakPolarHBondContact CD-OD1 3.46Å; R79-D118 HydrophobicContact CG-CB 3.94Å; D118-E120 PolarHBondContact O-N 3.14Å; D118-E120 PolarHBondContact OD1-N 3.19Å; D118-S121 PolarHBondContact O-N 2.98Å; D118-S121 VanDerWaalsContact O-N 3.09Å; D118-S124 PolarHBondContact N-OG 2.89Å
119	L	96.7	Very high	96.8	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.058	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-7	178.2	-67.8	168.2	0	0	0	113.6	L117 I125 A146 H171 L174 W332	L117-L119 HydrophobicContact CD1-CD2 4.4Å; L117-L119 HydrophobicContact CD2-CD2 4.14Å; L117-L119 HydrophobicContact CD2-CG 4.43Å; L117-L119 HydrophobicContact CG-CD2 4.3Å; L117-L119 HydrophobicContact CG-CG 4.36Å; L119-I125 HydrophobicContact CD2-CG1 4.46Å; L119-A146 HydrophobicContact CD1-CB 3.47Å; L119-A146 VanDerWaalsContact CD1-CB 3.47Å; L119-H171 WeakPolarHBondContact CD1-NE2 3.33Å; L119-L174 HydrophobicContact CD2-CD2 4.28Å; L119-W332 WeakPolarHBondContact O-CH2 3.39Å
120	E	94.1	Very high	97.1	Very high	57 Å²	57	47 Å²	47	27%	0.266	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	2.8	171.2	-60.6	-176.8	-137.7	0	0	112.6	R79 D118 V166 W332	R79-E120 IonicContact NH1-OE1 3.63Å; R79-E120 PolarHBondContact NH1-OE1 2.8Å; D118-E120 PolarHBondContact O-N 3.14Å; D118-E120 PolarHBondContact OD1-N 3.19Å; E120-V166 HydrophobicContact CG-CG2 3.3Å; E120-V166 WeakPolarHBondContact OE1-CG2 3.4Å; E120-W332 WeakPolarHBondContact O-CZ2 3.37Å
121	S	94.8	Very high	97.3	Very high	36 Å²	36	44.2 Å²	44.2	25%	0.252	21%	0.208	S	C	.	.			trans	-130.5	110.6	-177.6	174.8	0	0	0	0	111.5	D118 R123 S124 I125	D118-S121 PolarHBondContact O-N 2.98Å; D118-S121 VanDerWaalsContact O-N 3.09Å; S121-R123 PolarHBondContact O-N 3.29Å; S121-S124 PolarHBondContact O-N 3.04Å; S121-S124 VanDerWaalsContact O-N 3.08Å; S121-S124 PolarHBondContact OG-N 2.86Å; S121-I125 VanDerWaalsContact O-CG1 3.32Å; S121-I125 WeakPolarHBondContact O-CG1 3.44Å; S121-I125 PolarHBondContact O-N 2.8Å
122	P	95.4	Very high	97.5	Very high	21 Å²	21	43.2 Å²	43.2	14%	0.136	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-33.8	179	21.5	-29	0	0	0	112.1	I125 R126 L173 W332 E333	P122-I125 PolarHBondContact O-N 2.97Å; P122-R126 PolarHBondContact O-N 2.81Å; P122-L173 HydrophobicContact CB-CD2 3.88Å; P122-W332 HydrophobicContact CB-CD2 4.48Å; P122-W332 HydrophobicContact CG-CD2 4.14Å; P122-W332 HydrophobicContact CG-CG 4.33Å; P122-E333 HydrophobicContact CB-CG 3.76Å; P122-E333 HydrophobicContact CG-CG 4.41Å
123	R	96.3	Very high	97.5	Very high	181 Å²	181	46.1 Å²	46.1	68%	0.683	22%	0.218	S	C	*	.	H	α-helix	trans	-60.6	-49.4	173	179.4	179.2	171.5	178.9	-1.2	111.6	S121 I125 R126 E127	S121-R123 PolarHBondContact O-N 3.29Å; R123-I125 VanDerWaalsContact C-N 3.3Å; R123-I125 PolarHBondContact O-N 3.37Å; R123-R126 PolarHBondContact O-N 3.34Å; R123-E127 HydrophobicContact CG-CG 4.44Å; R123-E127 WeakPolarHBondContact CG-OE1 3.19Å; R123-E127 IonicContact CZ-OE1 2.91Å; R123-E127 IonicContact NE-OE1 3.68Å; R123-E127 PolarHBondContact NE-OE1 2.86Å; R123-E127 IonicContact NH2-OE1 3.81Å; R123-E127 PolarHBondContact NH2-OE1 2.87Å; R123-E127 WeakPolarHBondContact O-CG 3.48Å; R123-E127 PolarHBondContact O-N 3.13Å
124	S	97.8	Very high	97.4	Very high	13 Å²	13	48.6 Å²	48.6	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-42.3	178	-175.9	0	0	0	0	111.3	D118 S121 R126 E127 F128	D118-S124 PolarHBondContact N-OG 2.89Å; S121-S124 PolarHBondContact O-N 3.04Å; S121-S124 VanDerWaalsContact O-N 3.08Å; S121-S124 PolarHBondContact OG-N 2.86Å; S124-R126 PolarHBondContact O-N 2.07Å; S124-E127 PolarHBondContact O-N 3.44Å; S124-F128 WeakPolarHBondContact O-CB 3.08Å; S124-F128 PolarHBondContact O-N 3.28Å
125	I	98.4	Very high	97.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-44.3	178	-61.9	162.8	0	0	0	111.2	L117 L119 S121 P122 R123 A129 L173 L174 L177 W332	L117-I125 HydrophobicContact CD1-CB 4.38Å; L117-I125 HydrophobicContact CD1-CG1 4.01Å; L119-I125 HydrophobicContact CD2-CG1 4.46Å; S121-I125 VanDerWaalsContact O-CG1 3.32Å; S121-I125 WeakPolarHBondContact O-CG1 3.44Å; S121-I125 PolarHBondContact O-N 2.8Å; P122-I125 PolarHBondContact O-N 2.97Å; R123-I125 VanDerWaalsContact C-N 3.3Å; R123-I125 PolarHBondContact O-N 3.37Å; I125-A129 WeakPolarHBondContact O-CB 3.3Å; I125-A129 PolarHBondContact O-N 3.18Å; I125-L173 HydrophobicContact CB-CD2 4.2Å; I125-L173 HydrophobicContact CD1-CD2 4.07Å; I125-L173 HydrophobicContact CG2-CB 4.36Å; I125-L173 HydrophobicContact CG2-CD2 4.11Å; I125-L173 HydrophobicContact CG2-CG 3.89Å; I125-L174 HydrophobicContact CG2-CB 3.84Å; I125-L174 HydrophobicContact CG2-CD1 4.1Å; I125-L177 HydrophobicContact CG2-CD1 3.95Å; I125-W332 HydrophobicContact CD1-CH2 4.35Å; I125-W332 HydrophobicContact CD1-CZ3 4.49Å
126	R	97.8	Very high	97.2	Very high	103 Å²	103	54.6 Å²	54.6	39%	0.389	26%	0.258	S	S	.	.	H	α-helix	trans	-66.4	-44.8	176.5	-77.3	-171.7	-179.9	-83	-4	112.9	P122 R123 S124 F128 A129 N130 L177 E333	P122-R126 PolarHBondContact O-N 2.81Å; R123-R126 PolarHBondContact O-N 3.34Å; S124-R126 PolarHBondContact O-N 2.07Å; R126-F128 VanDerWaalsContact C-N 3.32Å; R126-F128 PolarHBondContact O-N 2.89Å; R126-A129 PolarHBondContact O-N 2.7Å; R126-N130 WeakPolarHBondContact O-CB 3.34Å; R126-N130 PolarHBondContact O-N 2.6Å; R126-N130 PolarHBondContact O-ND2 3.17Å; R126-L177 HydrophobicContact CB-CD1 4.48Å; R126-L177 HydrophobicContact CG-CD1 3.72Å; R126-E333 IonicContact CZ-OE1 3.35Å; R126-E333 IonicContact CZ-OE2 3.8Å; R126-E333 IonicContact NE-OE1 2.57Å; R126-E333 PolarHBondContact NE-OE1 2.77Å; R126-E333 IonicContact NE-OE2 3.7Å; R126-E333 IonicContact NH2-OE1 2.64Å; R126-E333 PolarHBondContact NH2-OE1 3Å; R126-E333 IonicContact NH2-OE2 2.77Å; R126-E333 PolarHBondContact NH2-OE2 3.15Å
127	E	98.1	Very high	96.9	Very high	79 Å²	79	59 Å²	59	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-60.8	-43.7	177.6	-73.3	175.5	-179.3	0	0	110.9	R123 S124 R131	R123-E127 HydrophobicContact CG-CG 4.44Å; R123-E127 WeakPolarHBondContact CG-OE1 3.19Å; R123-E127 IonicContact CZ-OE1 2.91Å; R123-E127 IonicContact NE-OE1 3.68Å; R123-E127 PolarHBondContact NE-OE1 2.86Å; R123-E127 IonicContact NH2-OE1 3.81Å; R123-E127 PolarHBondContact NH2-OE1 2.87Å; R123-E127 WeakPolarHBondContact O-CG 3.48Å; R123-E127 PolarHBondContact O-N 3.13Å; S124-E127 PolarHBondContact O-N 3.44Å; E127-R131 WeakPolarHBondContact O-CG 3.12Å; E127-R131 PolarHBondContact O-N 2.83Å; E127-R131 VanDerWaalsContact O-N 3.1Å; E127-R131 PolarHBondContact O-NH1 3.3Å
128	F	98.6	Very high	96.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-54.1	171.8	174.9	-88.9	0	0	0	111.3	I51 I75 A77 E115 E116 L117 S124 R126 N130 R131 I132 L174 L178	I51-F128 HydrophobicContact CD1-CE1 4.47Å; I51-F128 HydrophobicContact CD1-CZ 4.39Å; I51-F128 HydrophobicContact CG2-CZ 4.19Å; I75-F128 HydrophobicContact CG2-CE2 4.49Å; I75-F128 HydrophobicContact CG2-CZ 4.41Å; A77-F128 HydrophobicContact CB-CE2 3.63Å; A77-F128 HydrophobicContact CB-CZ 3.71Å; E115-F128 HydrophobicContact CB-CD2 3.97Å; E115-F128 HydrophobicContact CB-CE2 3.55Å; E115-F128 HydrophobicContact CG-CE2 4.33Å; E116-F128 WeakPolarHBondContact O-CD2 3.5Å; L117-F128 HydrophobicContact CB-CD2 3.85Å; L117-F128 HydrophobicContact CB-CE2 4.22Å; L117-F128 HydrophobicContact CB-CG 4.18Å; L117-F128 HydrophobicContact CD1-CB 3.85Å; L117-F128 HydrophobicContact CD1-CD1 4.08Å; L117-F128 HydrophobicContact CD1-CD2 4.41Å; L117-F128 HydrophobicContact CD1-CG 3.86Å; L117-F128 HydrophobicContact CD2-CD1 4.45Å; L117-F128 HydrophobicContact CD2-CE1 4.42Å; L117-F128 HydrophobicContact CD2-CZ 4.48Å; L117-F128 HydrophobicContact CG-CG 4.42Å; S124-F128 WeakPolarHBondContact O-CB 3.08Å; S124-F128 PolarHBondContact O-N 3.28Å; R126-F128 VanDerWaalsContact C-N 3.32Å; R126-F128 PolarHBondContact O-N 2.89Å; F128-N130 VanDerWaalsContact C-N 3.3Å; F128-N130 PolarHBondContact O-N 2.98Å; F128-R131 PolarHBondContact O-N 3.27Å; F128-R131 VanDerWaalsContact O-N 3.1Å; F128-I132 HydrophobicContact CD1-CG1 4.01Å; F128-I132 HydrophobicContact CD2-CG1 4.42Å; F128-I132 HydrophobicContact CE1-CG1 3.59Å; F128-I132 HydrophobicContact CE2-CD1 4.23Å; F128-I132 HydrophobicContact CE2-CG1 4.07Å; F128-I132 HydrophobicContact CG-CG1 4.4Å; F128-I132 HydrophobicContact CZ-CD1 4.07Å; F128-I132 HydrophobicContact CZ-CG1 3.63Å; F128-I132 WeakPolarHBondContact O-CG1 3.37Å; F128-I132 PolarHBondContact O-N 3.49Å; F128-L174 HydrophobicContact CD1-CD1 3.56Å; F128-L174 HydrophobicContact CE1-CD1 3.72Å; F128-L178 HydrophobicContact CE1-CD1 4.34Å
129	A	98.5	Very high	96.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58	-41.5	-178.1	0	0	0	0	0	112.2	I125 R126 I132 I133 L177 L178	I125-A129 WeakPolarHBondContact O-CB 3.3Å; I125-A129 PolarHBondContact O-N 3.18Å; R126-A129 PolarHBondContact O-N 2.7Å; A129-I132 PolarHBondContact O-N 2.94Å; A129-I133 HydrophobicContact CB-CD1 4.46Å; A129-I133 WeakPolarHBondContact O-CB 3.46Å; A129-I133 WeakPolarHBondContact O-CD1 3.48Å; A129-I133 WeakPolarHBondContact O-CG1 3.18Å; A129-I133 PolarHBondContact O-N 2.78Å; A129-L177 HydrophobicContact CB-CB 3.66Å; A129-L177 HydrophobicContact CB-CD1 4.07Å; A129-L177 HydrophobicContact CB-CG 4.47Å; A129-L178 HydrophobicContact CB-CD2 4.18Å
130	N	98.2	Very high	96.8	Very high	105 Å²	105	58.1 Å²	58.1	56%	0.561	27%	0.274	S	S	*	.	H	α-helix	trans	-63.4	-41.7	176.7	-70.7	-19.8	0	0	0	112.5	R126 F128 I132 S134	R126-N130 WeakPolarHBondContact O-CB 3.34Å; R126-N130 PolarHBondContact O-N 2.6Å; R126-N130 PolarHBondContact O-ND2 3.17Å; F128-N130 VanDerWaalsContact C-N 3.3Å; F128-N130 PolarHBondContact O-N 2.98Å; N130-I132 VanDerWaalsContact C-N 3.32Å; N130-I132 PolarHBondContact O-N 3.35Å; N130-S134 WeakPolarHBondContact O-CB 3.05Å; N130-S134 PolarHBondContact O-N 3.25Å; N130-S134 VanDerWaalsContact O-N 3.08Å; N130-S134 PolarHBondContact O-OG 3.48Å
131	R	98.1	Very high	97	Very high	64 Å²	64	55.5 Å²	55.5	24%	0.242	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-40.2	175.3	-71.9	-168.2	-53.3	-87.6	2.9	111.4	E115 E116 E127 F128 S134 R135	E115-R131 IonicContact OE2-CZ 3.32Å; E115-R131 IonicContact OE2-NE 3.59Å; E115-R131 PolarHBondContact OE2-NE 2.91Å; E115-R131 IonicContact OE2-NH2 2.72Å; E115-R131 PolarHBondContact OE2-NH2 3.24Å; E116-R131 PolarHBondContact O-NH2 2.93Å; E127-R131 WeakPolarHBondContact O-CG 3.12Å; E127-R131 PolarHBondContact O-N 2.83Å; E127-R131 VanDerWaalsContact O-N 3.1Å; E127-R131 PolarHBondContact O-NH1 3.3Å; F128-R131 PolarHBondContact O-N 3.27Å; F128-R131 VanDerWaalsContact O-N 3.1Å; R131-S134 PolarHBondContact O-OG 2.94Å; R131-R135 WeakPolarHBondContact O-CD 3.37Å; R131-R135 VanDerWaalsContact O-CG 3.27Å; R131-R135 WeakPolarHBondContact O-CG 3.45Å; R131-R135 PolarHBondContact O-N 3.11Å
132	I	98.2	Very high	97.2	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	25%	0.25	C	C	.	.	H	α-helix	trans	-68.3	-50.1	178.7	-66.4	-45.6	0	0	0	111.3	I51 I75 E115 F128 A129 N130 S134 R135 E136 I139 L178	I51-I132 HydrophobicContact CD1-CG1 4.46Å; I51-I132 HydrophobicContact CD1-CG2 3.95Å; I75-I132 HydrophobicContact CD1-CD1 4.07Å; I75-I132 HydrophobicContact CG2-CD1 4.16Å; E115-I132 HydrophobicContact CG-CD1 4.32Å; F128-I132 HydrophobicContact CD1-CG1 4.01Å; F128-I132 HydrophobicContact CD2-CG1 4.42Å; F128-I132 HydrophobicContact CE1-CG1 3.59Å; F128-I132 HydrophobicContact CE2-CD1 4.23Å; F128-I132 HydrophobicContact CE2-CG1 4.07Å; F128-I132 HydrophobicContact CG-CG1 4.4Å; F128-I132 HydrophobicContact CZ-CD1 4.07Å; F128-I132 HydrophobicContact CZ-CG1 3.63Å; F128-I132 WeakPolarHBondContact O-CG1 3.37Å; F128-I132 PolarHBondContact O-N 3.49Å; A129-I132 PolarHBondContact O-N 2.94Å; N130-I132 VanDerWaalsContact C-N 3.32Å; N130-I132 PolarHBondContact O-N 3.35Å; I132-S134 PolarHBondContact O-N 2.73Å; I132-R135 PolarHBondContact O-N 3.48Å; I132-R135 VanDerWaalsContact O-N 3.07Å; I132-E136 HydrophobicContact CG2-CB 4.32Å; I132-E136 HydrophobicContact CG2-CG 4.1Å; I132-E136 WeakPolarHBondContact O-CB 3.46Å; I132-E136 PolarHBondContact O-N 3.05Å; I132-I139 HydrophobicContact CG2-CD1 3.32Å; I132-L178 HydrophobicContact CB-CD2 3.96Å; I132-L178 HydrophobicContact CG2-CD2 3.68Å
133	I	97.3	Very high	97.3	Very high	65 Å²	65	52.8 Å²	52.8	33%	0.333	24%	0.243	S	C	.	.	H	α-helix	trans	-62.1	-33	-178.6	-66.4	161.3	0	0	0	111.9	A129 R135 L177	A129-I133 HydrophobicContact CB-CD1 4.46Å; A129-I133 WeakPolarHBondContact O-CB 3.46Å; A129-I133 WeakPolarHBondContact O-CD1 3.48Å; A129-I133 WeakPolarHBondContact O-CG1 3.18Å; A129-I133 PolarHBondContact O-N 2.78Å; I133-R135 VanDerWaalsContact C-N 3.35Å; I133-L177 WeakPolarHBondContact CD1-O 3.4Å
134	S	97	Very high	97.4	Very high	93 Å²	93	44.1 Å²	44.1	65%	0.65	21%	0.211	S	C	*	.	H	α-helix	trans	-74.8	-20.7	177.3	56.8	0	0	0	0	114.3	N130 R131 I132	N130-S134 WeakPolarHBondContact O-CB 3.05Å; N130-S134 PolarHBondContact O-N 3.25Å; N130-S134 VanDerWaalsContact O-N 3.08Å; N130-S134 PolarHBondContact O-OG 3.48Å; R131-S134 PolarHBondContact O-OG 2.94Å; I132-S134 PolarHBondContact O-N 2.73Å
135	R	96.1	Very high	97.5	Very high	149 Å²	149	44.3 Å²	44.3	56%	0.562	21%	0.211	S	C	*	.	H	α-helix	trans	-107.8	-34.8	-175.7	-65.8	175.2	-174.6	172.2	4.4	113.4	E115 R131 I132 I133	E115-R135 IonicContact OE1-CZ 3.74Å; E115-R135 IonicContact OE1-NH1 2.63Å; E115-R135 PolarHBondContact OE1-NH1 3.4Å; R131-R135 WeakPolarHBondContact O-CD 3.37Å; R131-R135 VanDerWaalsContact O-CG 3.27Å; R131-R135 WeakPolarHBondContact O-CG 3.45Å; R131-R135 PolarHBondContact O-N 3.11Å; I132-R135 PolarHBondContact O-N 3.48Å; I132-R135 VanDerWaalsContact O-N 3.07Å; I133-R135 VanDerWaalsContact C-N 3.35Å
136	E	95.4	Very high	97.3	Very high	22 Å²	22	44.9 Å²	44.9	10%	0.103	22%	0.216	C	C	.	.			trans	-107	121.8	-169.3	-54.7	-57.3	149.5	0	0	111.5	R73 I75 I132 I139 C181	R73-E136 IonicContact CZ-OE1 3.5Å; R73-E136 IonicContact CZ-OE2 3.11Å; R73-E136 IonicContact NH1-OE1 2.8Å; R73-E136 PolarHBondContact NH1-OE1 2.86Å; R73-E136 IonicContact NH1-OE2 3.51Å; R73-E136 PolarHBondContact NH1-OE2 2.79Å; R73-E136 IonicContact NH2-OE1 3.29Å; R73-E136 PolarHBondContact NH2-OE1 3.34Å; R73-E136 IonicContact NH2-OE2 3.2Å; I75-E136 HydrophobicContact CD1-CG 3.98Å; I132-E136 HydrophobicContact CG2-CB 4.32Å; I132-E136 HydrophobicContact CG2-CG 4.1Å; I132-E136 WeakPolarHBondContact O-CB 3.46Å; I132-E136 PolarHBondContact O-N 3.05Å; E136-I139 HydrophobicContact CB-CD1 4.23Å; E136-I139 HydrophobicContact CB-CG1 4.16Å; E136-C181 PolarHBondContact O-SG 3.15Å; E136-C181 VanDerWaalsContact O-SG 3.37Å
137	K	91.7	Very high	97	Very high	188 Å²	188	42.3 Å²	42.3	82%	0.817	22%	0.221	S	C	*	.	S	Bend	trans	-75.3	-31.8	177.8	-63.2	-177.3	-179.8	176.1	0	113
138	S	95.3	Very high	96.5	Very high	34 Å²	34	39.6 Å²	39.6	24%	0.238	21%	0.212	C	C	.	.			trans	-153	135.2	-176.2	-174.6	0	0	0	0	110.5	C181	S138-C181 CarbonylContact C-O 3.53Å; S138-C181 WeakPolarHBondContact CA-O 3.43Å
139	I	97.7	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.			trans	-123.8	89.9	172	-63.1	153.1	0	0	0	106.4	I51 I132 E136 I141 C181 L182 C190	I51-I139 HydrophobicContact CD1-CD1 3.6Å; I51-I139 HydrophobicContact CD1-CG1 4.21Å; I51-I139 HydrophobicContact CD1-CG2 4.03Å; I51-I139 HydrophobicContact CG1-CD1 4.49Å; I51-I139 HydrophobicContact CG1-CG2 4.01Å; I132-I139 HydrophobicContact CG2-CD1 3.32Å; E136-I139 HydrophobicContact CB-CD1 4.23Å; E136-I139 HydrophobicContact CB-CG1 4.16Å; I139-I141 WeakPolarHBondContact CG2-O 3.43Å; I139-I141 PolarHBondContact O-N 2.76Å; I139-C181 HydrophobicContact CD1-CB 3.88Å; I139-C181 PolarHBondContact N-O 3.49Å; I139-L182 HydrophobicContact CB-CD2 4.27Å; I139-L182 HydrophobicContact CG2-CD2 4.13Å; I139-C190 PolarHBondContact O-SG 2.84Å; I139-C190 VanDerWaalsContact O-SG 3.36Å
140	P	97.5	Very high	95.4	Very high	7 Å²	7	44.4 Å²	44.4	5%	0.045	24%	0.235	C	C	.	.	S	Bend	trans	-68.5	-19.1	-179	24.5	-35.9	0	0	0	113.8	K48 T49 K183 C190 R191	K48-P140 HydrophobicContact CB-CG 3.79Å; K48-P140 HydrophobicContact CD-CG 4.33Å; K48-P140 HydrophobicContact CG-CG 4.04Å; T49-P140 VanDerWaalsContact O-CD 3.23Å; T49-P140 WeakPolarHBondContact O-CD 3.45Å; P140-K183 WeakPolarHBondContact CA-O 3.25Å; P140-C190 CarbonylContact O-C 3.54Å; P140-C190 VanDerWaalsContact O-CA 3.31Å; P140-C190 WeakPolarHBondContact O-CA 3.47Å; P140-C190 PolarHBondContact O-SG 2.9Å; P140-R191 PolarHBondContact O-N 3.24Å
141	I	98.5	Very high	94.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.6	-179.7	-50.1	176.5	0	0	0	110.3	L45 V50 I51 I139 I143 R191 I193 A289	L45-I141 HydrophobicContact CD1-CD1 4.36Å; L45-I141 HydrophobicContact CD2-CD1 3.76Å; V50-I141 WeakPolarHBondContact CA-O 3.19Å; V50-I141 HydrophobicContact CB-CB 4.36Å; V50-I141 HydrophobicContact CG1-CB 3.87Å; V50-I141 HydrophobicContact CG1-CG2 3.85Å; V50-I141 HydrophobicContact CG2-CB 3.95Å; V50-I141 HydrophobicContact CG2-CD1 4.1Å; V50-I141 HydrophobicContact CG2-CG1 4.37Å; I51-I141 PolarHBondContact N-O 3.29Å; I139-I141 WeakPolarHBondContact CG2-O 3.43Å; I139-I141 PolarHBondContact O-N 2.76Å; I141-I143 HydrophobicContact CG2-CD1 4.24Å; I141-I143 HydrophobicContact CG2-CG1 3.88Å; I141-R191 CarbonylContact C-O 3.58Å; I141-R191 WeakPolarHBondContact CA-O 3.42Å; I141-R191 HydrophobicContact CG1-CB 4.47Å; I141-R191 HydrophobicContact CG2-CB 4.5Å; I141-I193 HydrophobicContact CG2-CD1 4.3Å; I141-A289 HydrophobicContact CD1-CB 4.39Å; I141-A289 WeakPolarHBondContact CD1-O 3.45Å; I141-A289 HydrophobicContact CG2-CB 4.43Å
142	L	98.8	Very high	93.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.1	170.5	171.7	63	0	0	0	109.4	I51 T175 L178 L182 R191 V192 I193	I51-L142 HydrophobicContact CB-CD1 3.77Å; I51-L142 HydrophobicContact CG2-CD1 3.72Å; L142-T175 HydrophobicContact CD2-CG2 4.2Å; L142-L178 HydrophobicContact CD1-CD1 4.2Å; L142-L178 HydrophobicContact CD2-CD1 4.23Å; L142-L182 HydrophobicContact CB-CD2 3.89Å; L142-L182 HydrophobicContact CD2-CD1 4.29Å; L142-L182 HydrophobicContact CD2-CD2 4.24Å; L142-R191 PolarHBondContact N-O 2.99Å; L142-V192 HydrophobicContact CB-CG2 4.42Å; L142-V192 HydrophobicContact CD2-CG1 4.25Å; L142-V192 HydrophobicContact CG-CG1 4.47Å; L142-V192 CarbonylContact O-C 3.6Å; L142-V192 WeakPolarHBondContact O-CA 3.45Å; L142-I193 PolarHBondContact O-N 2.91Å
143	I	98.9	Very high	93.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	101.9	179	-49.5	-172.6	0	0	0	109.4	V50 I51 V52 T53 T63 L67 I141 N145 I193 L195 T285	V50-I143 HydrophobicContact CG1-CD1 4.2Å; V50-I143 HydrophobicContact CG1-CG1 4.26Å; I51-I143 PolarHBondContact O-N 3.47Å; V52-I143 HydrophobicContact CB-CB 4.48Å; V52-I143 HydrophobicContact CG1-CB 4.24Å; V52-I143 HydrophobicContact CG1-CG2 4.34Å; V52-I143 HydrophobicContact CG2-CB 4.22Å; V52-I143 HydrophobicContact CG2-CD1 4.08Å; V52-I143 HydrophobicContact CG2-CG1 4.35Å; T53-I143 PolarHBondContact N-O 2.88Å; T53-I143 PolarHBondContact OG1-O 3.4Å; T63-I143 HydrophobicContact CG2-CD1 3.82Å; L67-I143 HydrophobicContact CD1-CD1 3.48Å; L67-I143 VanDerWaalsContact CD1-CD1 3.48Å; I141-I143 HydrophobicContact CG2-CD1 4.24Å; I141-I143 HydrophobicContact CG2-CG1 3.88Å; I143-N145 HydrophobicContact CG2-CB 3.88Å; I143-N145 PolarHBondContact O-N 2.8Å; I143-I193 HydrophobicContact CD1-CD1 4.41Å; I143-I193 HydrophobicContact CG1-CB 4.46Å; I143-I193 HydrophobicContact CG1-CD1 4.28Å; I143-I193 HydrophobicContact CG2-CB 4.46Å; I143-L195 HydrophobicContact CG2-CD2 4.04Å; I143-T285 HydrophobicContact CD1-CG2 4.09Å; I143-T285 HydrophobicContact CG2-CG2 3.62Å
144	N	98.7	Very high	93.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	73	172.3	-70.8	-24.1	0	0	0	109.3	H171 T175 I193 I194 L195	N144-H171 HydrophobicContact CB-CB 4.31Å; N144-H171 VanDerWaalsContact CB-CD2 3.47Å; N144-H171 WeakPolarHBondContact CB-CD2 3.15Å; N144-H171 PolarHBondContact OD1-CD2 3.26Å; N144-T175 PolarHBondContact ND2-OG1 3.38Å; N144-I193 PolarHBondContact N-O 3.28Å; N144-I194 HydrophobicContact CB-CG1 4.35Å; N144-I194 HydrophobicContact CB-CG2 4.3Å; N144-L195 PolarHBondContact O-N 3.47Å
145	N	98.2	Very high	92.8	Very high	17 Å²	17	54.3 Å²	54.3	9%	0.091	28%	0.275	C	S	.	.			trans	-90.3	-30.7	-174.6	160.6	89.8	0	0	0	113.6	V52 T53 G54 G60 I143 L195	V52-N145 HydrophobicContact CG1-CB 4.15Å; T53-N145 WeakPolarHBondContact O-CB 3.15Å; T53-N145 PolarHBondContact O-ND2 2.81Å; T53-N145 PolarHBondContact OG1-N 3.41Å; G54-N145 PolarHBondContact O-ND2 3.05Å; G60-N145 VanDerWaalsContact CA-ND2 3.3Å; G60-N145 WeakPolarHBondContact CA-ND2 3.13Å; I143-N145 HydrophobicContact CG2-CB 3.88Å; I143-N145 PolarHBondContact O-N 2.8Å; N145-L195 HydrophobicContact CB-CD2 4.04Å; N145-L195 HydrophobicContact CB-CG 4.19Å
146	A	95	Very high	92.5	Very high	12 Å²	12	49 Å²	49	10%	0.099	26%	0.257	C	S	.	.			trans	-53.8	145.4	-175.9	0	0	0	0	0	111.8	T53 L119 H171	T53-A146 PolarHBondContact O-N 3.46Å; T53-A146 VanDerWaalsContact O-N 3.12Å; T53-A146 WeakPolarHBondContact OG1-CB 3.35Å; T53-A146 PolarHBondContact OG1-N 2.86Å; L119-A146 HydrophobicContact CD1-CB 3.47Å; L119-A146 VanDerWaalsContact CD1-CB 3.47Å; A146-H171 PolarHBondContact O-CE1 3.05Å; A146-H171 VanDerWaalsContact O-CE1 3.26Å
147	G	91.3	Very high	92.1	Very high	49 Å²	49	55.5 Å²	55.5	51%	0.505	29%	0.288	S	S	.	.			trans	-165.7	148.3	175.4	0	0	0	0	0	112.8	N167	G147-N167 WeakPolarHBondContact CA-OD1 3.46Å
148	A	88.7	Confident	91.9	Very high	21 Å²	21	48.3 Å²	48.3	17%	0.174	26%	0.258	C	S	.	.			trans	-125.4	141.1	175.2	0	0	0	0	0	110.3	F150 H163 V166 N167 Y219	A148-F150 HydrophobicContact CB-CD2 4.48Å; A148-F150 HydrophobicContact CB-CE1 4.4Å; A148-F150 HydrophobicContact CB-CE2 3.64Å; A148-F150 HydrophobicContact CB-CZ 3.59Å; A148-H163 PolarHBondContact O-CD2 2.8Å; A148-V166 HydrophobicContact CB-CB 4.26Å; A148-V166 HydrophobicContact CB-CG1 4.07Å; A148-V166 HydrophobicContact CB-CG2 4.31Å; A148-N167 PolarHBondContact N-OD1 3.26Å; A148-N167 PolarHBondContact O-ND2 3.04Å; A148-N167 PolarHBondContact O-OD1 2.79Å; A148-Y219 WeakPolarHBondContact O-CD2 3.39Å
149	D	86.9	Confident	91.6	Very high	52 Å²	52	47.9 Å²	47.9	28%	0.278	26%	0.259	S	S	.	.			trans	-127.5	122.6	173	-171.2	14.5	0	0	0	107.9	H163 Y219 I256	D149-H163 IonicContact OD1-NE2 3.14Å; D149-Y219 HydrophobicContact CB-CD2 3.66Å; D149-Y219 HydrophobicContact CB-CE2 3.91Å; D149-Y219 HydrophobicContact CB-CG 4.15Å; D149-Y219 VanDerWaalsContact OD1-CB 3.26Å; D149-Y219 WeakPolarHBondContact OD1-CB 3.24Å; D149-I256 HydrophobicContact CB-CD1 4.3Å; D149-I256 HydrophobicContact CB-CG1 4.23Å; D149-I256 HydrophobicContact CB-CG2 3.87Å; D149-I256 WeakPolarHBondContact OD2-CG2 3.34Å
150	F	85.3	Confident	91.2	Very high	49 Å²	49	48 Å²	48	22%	0.215	26%	0.259	C	S	.	.			trans	-116.5	145.6	-178.4	-52.3	-76.8	0	0	0	108.9	A148 E152 K162 H163	A148-F150 HydrophobicContact CB-CD2 4.48Å; A148-F150 HydrophobicContact CB-CE1 4.4Å; A148-F150 HydrophobicContact CB-CE2 3.64Å; A148-F150 HydrophobicContact CB-CZ 3.59Å; F150-E152 PolarHBondContact O-N 2.81Å; F150-K162 HydrophobicContact CD1-CD 4.49Å; F150-K162 HydrophobicContact CD2-CB 4.36Å; F150-K162 HydrophobicContact CD2-CD 4.1Å; F150-K162 HydrophobicContact CD2-CG 4.12Å; F150-K162 HydrophobicContact CE1-CD 4.17Å; F150-K162 HydrophobicContact CE2-CB 4.25Å; F150-K162 HydrophobicContact CE2-CD 3.75Å; F150-K162 HydrophobicContact CE2-CG 3.6Å; F150-K162 HydrophobicContact CG-CD 4.46Å; F150-K162 HydrophobicContact CZ-CD 3.79Å; F150-K162 VanDerWaalsContact CZ-CE 3.48Å; F150-K162 HydrophobicContact CZ-CG 4Å; F150-H163 AromaticContact CD2-CD2 3.82Å; F150-H163 AromaticContact CD2-CE1 3.81Å; F150-H163 AromaticContact CD2-CG 3.96Å; F150-H163 AromaticContact CD2-ND1 3.95Å; F150-H163 AromaticContact CD2-NE2 3.75Å; F150-H163 PolarHBondContact N-NE2 2.96Å; F150-H163 PolarHBondContact O-CE1 3.31Å; F150-H163 PolarHBondContact O-NE2 3Å; F150-H163 VanDerWaalsContact O-NE2 3.16Å
151	P	78.1	Confident	90.9	Very high	107 Å²	107	48.2 Å²	48.2	70%	0.695	26%	0.26	S	S	*	.	S	Bend	trans	-59.2	-32	-177.1	-26.7	35.9	0	0	0	114.6
152	E	86.7	Confident	90.6	Very high	147 Å²	147	51.3 Å²	51.3	69%	0.687	27%	0.273	S	S	*	.	S	Bend	trans	-129.1	157.7	-174.2	-65.9	177.6	-179.1	0	0	110.5	F150 I154	F150-E152 PolarHBondContact O-N 2.81Å; E152-I154 PolarHBondContact O-N 3.2Å
153	K	88.4	Confident	90.3	Very high	76 Å²	76	51.4 Å²	51.4	33%	0.33	27%	0.273	S	S	.	.			trans	-74.6	116.7	170	-66.4	-178.5	-176.8	176.7	0	108.2	Y155 E161 G214 G216 G218	K153-Y155 HydrophobicContact CB-CE2 3.82Å; K153-E161 WeakPolarHBondContact CA-OE1 3.45Å; K153-E161 HydrophobicContact CB-CG 4.1Å; K153-E161 HydrophobicContact CG-CG 4.34Å; K153-G214 PolarHBondContact NZ-O 3.11Å; K153-G216 WeakPolarHBondContact CE-O 3.46Å; K153-G216 PolarHBondContact NZ-O 3.01Å; K153-G218 VanDerWaalsContact CE-N 3.34Å
154	I	91.1	Very high	90	Very high	82 Å²	82	51.7 Å²	51.7	42%	0.421	28%	0.275	S	S	.	.			trans	-112.2	130.6	178.4	-59.8	169.3	0	0	0	106.9	E152 E161 K162	E152-I154 PolarHBondContact O-N 3.2Å; I154-E161 PolarHBondContact N-OE1 3.07Å; I154-E161 CarbonylContact O-C 3.6Å; I154-E161 WeakPolarHBondContact O-CA 3.36Å; I154-K162 HydrophobicContact CB-CB 4.14Å; I154-K162 HydrophobicContact CB-CD 4.35Å; I154-K162 HydrophobicContact CD1-CD 4.41Å; I154-K162 WeakPolarHBondContact O-CB 3.34Å; I154-K162 PolarHBondContact O-N 3.37Å
155	Y	91.1	Very high	89.7	Confident	126 Å²	126	53.1 Å²	53.1	49%	0.494	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-110.6	144.3	179.6	-62.9	-92	0	0	0	109.4	K153 G159 E161	K153-Y155 HydrophobicContact CB-CE2 3.82Å; Y155-G159 WeakPolarHBondContact CD1-O 3.26Å; Y155-E161 HydrophobicContact CD1-CB 3.93Å; Y155-E161 HydrophobicContact CD1-CG 4.26Å; Y155-E161 HydrophobicContact CE1-CB 3.63Å; Y155-E161 HydrophobicContact CE1-CG 3.8Å; Y155-E161 HydrophobicContact CE2-CG 4.43Å
156	D	89.3	Confident	89.4	Confident	38 Å²	38	52.9 Å²	52.9	20%	0.203	28%	0.28	C	S	.	.			trans	-88.9	-172.4	174.4	73.4	-12	0	0	0	112	L158 G159 I160 K165	D156-L158 PolarHBondContact O-N 2.86Å; D156-L158 WeakPolarHBondContact OD1-CA 3.44Å; D156-L158 WeakPolarHBondContact OD1-CB 3.25Å; D156-L158 PolarHBondContact OD1-N 3.47Å; D156-G159 PolarHBondContact O-N 3.12Å; D156-G159 PolarHBondContact OD1-N 3.46Å; D156-I160 PolarHBondContact N-O 3.26Å; D156-I160 WeakPolarHBondContact OD1-CA 3.32Å; D156-I160 PolarHBondContact OD1-N 3.33Å; D156-K165 WeakPolarHBondContact OD2-CE 3.39Å; D156-K165 IonicContact OD2-NZ 3.34Å; D156-K165 PolarHBondContact OD2-NZ 2.99Å
157	E	87.7	Confident	89.5	Confident	159 Å²	159	52.3 Å²	52.3	74%	0.743	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.4	178.4	-56.5	87.1	176.4	0	0	113.7	F335	E157-F335 HydrophobicContact CB-CE1 4.49Å; E157-F335 HydrophobicContact CB-CZ 3.89Å; E157-F335 HydrophobicContact CG-CZ 4.49Å
158	L	86.8	Confident	89.7	Confident	37 Å²	37	50 Å²	50	19%	0.194	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.3	175.4	-66.8	176.3	0	0	0	113	D156 I160 W332 F335	D156-L158 PolarHBondContact O-N 2.86Å; D156-L158 WeakPolarHBondContact OD1-CA 3.44Å; D156-L158 WeakPolarHBondContact OD1-CB 3.25Å; D156-L158 PolarHBondContact OD1-N 3.47Å; L158-I160 HydrophobicContact CB-CD1 4.13Å; L158-I160 HydrophobicContact CB-CG1 3.95Å; L158-I160 HydrophobicContact CD1-CD1 4.02Å; L158-I160 PolarHBondContact O-N 3.04Å; L158-W332 HydrophobicContact CD1-CB 4.4Å; L158-F335 HydrophobicContact CD1-CB 3.7Å; L158-F335 HydrophobicContact CD1-CD1 4.13Å; L158-F335 HydrophobicContact CD1-CD2 4.46Å; L158-F335 HydrophobicContact CD1-CG 3.86Å; L158-F335 HydrophobicContact CD2-CB 3.94Å; L158-F335 HydrophobicContact CD2-CD1 4.46Å; L158-F335 HydrophobicContact CD2-CD2 3.42Å; L158-F335 VanDerWaalsContact CD2-CD2 3.42Å; L158-F335 HydrophobicContact CD2-CE2 3.98Å; L158-F335 HydrophobicContact CD2-CG 3.69Å; L158-F335 HydrophobicContact CG-CB 4.19Å; L158-F335 HydrophobicContact CG-CD1 4.18Å; L158-F335 HydrophobicContact CG-CD2 4.02Å; L158-F335 HydrophobicContact CG-CE2 4.43Å; L158-F335 HydrophobicContact CG-CG 3.87Å
159	G	88.7	Confident	90.1	Very high	24 Å²	24	49 Å²	49	25%	0.247	24%	0.244	C	C	.	.			trans	72.9	15.8	-172.9	0	0	0	0	0	113.7	Y155 D156	Y155-G159 WeakPolarHBondContact CD1-O 3.26Å; D156-G159 PolarHBondContact O-N 3.12Å; D156-G159 PolarHBondContact OD1-N 3.46Å
160	I	89.7	Confident	90.6	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.23	C	C	.	.			trans	-81.7	126.8	173.5	-56.3	177.9	0	0	0	108.9	D156 L158 L164 K165 L169 L328 W332	D156-I160 PolarHBondContact N-O 3.26Å; D156-I160 WeakPolarHBondContact OD1-CA 3.32Å; D156-I160 PolarHBondContact OD1-N 3.33Å; L158-I160 HydrophobicContact CB-CD1 4.13Å; L158-I160 HydrophobicContact CB-CG1 3.95Å; L158-I160 HydrophobicContact CD1-CD1 4.02Å; L158-I160 PolarHBondContact O-N 3.04Å; I160-L164 HydrophobicContact CG2-CD2 4.24Å; I160-K165 HydrophobicContact CB-CG 4.48Å; I160-K165 HydrophobicContact CG2-CD 4.4Å; I160-K165 HydrophobicContact CG2-CG 3.58Å; I160-L169 HydrophobicContact CD1-CD1 4.49Å; I160-L169 HydrophobicContact CG2-CD1 3.69Å; I160-L328 HydrophobicContact CG1-CD2 4.47Å; I160-W332 HydrophobicContact CD1-CB 3.95Å; I160-W332 HydrophobicContact CD1-CG 4.13Å
161	E	90.9	Very high	91.2	Very high	13 Å²	13	44.2 Å²	44.2	6%	0.061	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-71.1	138.8	178.3	-159.1	-73.7	137.9	0	0	111.4	K153 I154 Y155 H163 L164 K165	K153-E161 WeakPolarHBondContact CA-OE1 3.45Å; K153-E161 HydrophobicContact CB-CG 4.1Å; K153-E161 HydrophobicContact CG-CG 4.34Å; I154-E161 PolarHBondContact N-OE1 3.07Å; I154-E161 CarbonylContact O-C 3.6Å; I154-E161 WeakPolarHBondContact O-CA 3.36Å; Y155-E161 HydrophobicContact CD1-CB 3.93Å; Y155-E161 HydrophobicContact CD1-CG 4.26Å; Y155-E161 HydrophobicContact CE1-CB 3.63Å; Y155-E161 HydrophobicContact CE1-CG 3.8Å; Y155-E161 HydrophobicContact CE2-CG 4.43Å; E161-H163 PolarHBondContact O-N 3.13Å; E161-H163 IonicContact OE1-CE1 3.7Å; E161-H163 IonicContact OE1-CG 2.86Å; E161-H163 PolarHBondContact OE1-N 3.02Å; E161-H163 IonicContact OE1-ND1 3.08Å; E161-H163 PolarHBondContact OE1-ND1 2.86Å; E161-H163 WeakPolarHBondContact OE2-CA 3.23Å; E161-H163 WeakPolarHBondContact OE2-CB 3.47Å; E161-H163 IonicContact OE2-CG 3.87Å; E161-H163 PolarHBondContact OE2-N 2.82Å; E161-H163 IonicContact OE2-ND1 2.96Å; E161-H163 PolarHBondContact OE2-ND1 2.69Å; E161-L164 HydrophobicContact CB-CB 4.26Å; E161-L164 VanDerWaalsContact O-CB 3.23Å; E161-L164 WeakPolarHBondContact O-CB 3.31Å; E161-L164 PolarHBondContact O-N 3.38Å; E161-L164 VanDerWaalsContact O-N 3.11Å; E161-L164 PolarHBondContact OE2-N 3.11Å; E161-K165 PolarHBondContact O-N 3.47Å
162	K	91.8	Very high	92.2	Very high	66 Å²	66	39.2 Å²	39.2	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-65.9	-37.1	-169.7	-167.2	178.1	-176.1	171	0	114.4	F150 I154 L164 K165	F150-K162 HydrophobicContact CD1-CD 4.49Å; F150-K162 HydrophobicContact CD2-CB 4.36Å; F150-K162 HydrophobicContact CD2-CD 4.1Å; F150-K162 HydrophobicContact CD2-CG 4.12Å; F150-K162 HydrophobicContact CE1-CD 4.17Å; F150-K162 HydrophobicContact CE2-CB 4.25Å; F150-K162 HydrophobicContact CE2-CD 3.75Å; F150-K162 HydrophobicContact CE2-CG 3.6Å; F150-K162 HydrophobicContact CG-CD 4.46Å; F150-K162 HydrophobicContact CZ-CD 3.79Å; F150-K162 VanDerWaalsContact CZ-CE 3.48Å; F150-K162 HydrophobicContact CZ-CG 4Å; I154-K162 HydrophobicContact CB-CB 4.14Å; I154-K162 HydrophobicContact CB-CD 4.35Å; I154-K162 HydrophobicContact CD1-CD 4.41Å; I154-K162 WeakPolarHBondContact O-CB 3.34Å; I154-K162 PolarHBondContact O-N 3.37Å; K162-L164 VanDerWaalsContact C-N 3.27Å; K162-L164 PolarHBondContact O-N 3.42Å; K162-K165 PolarHBondContact O-N 3.31Å
163	H	93.1	Very high	92.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-39	174	-57.4	79.8	0	0	0	110.6	A148 D149 F150 E161 K165 V166 N167 Y219	A148-H163 PolarHBondContact O-CD2 2.8Å; D149-H163 IonicContact OD1-NE2 3.14Å; F150-H163 AromaticContact CD2-CD2 3.82Å; F150-H163 AromaticContact CD2-CE1 3.81Å; F150-H163 AromaticContact CD2-CG 3.96Å; F150-H163 AromaticContact CD2-ND1 3.95Å; F150-H163 AromaticContact CD2-NE2 3.75Å; F150-H163 PolarHBondContact N-NE2 2.96Å; F150-H163 PolarHBondContact O-CE1 3.31Å; F150-H163 PolarHBondContact O-NE2 3Å; F150-H163 VanDerWaalsContact O-NE2 3.16Å; E161-H163 PolarHBondContact O-N 3.13Å; E161-H163 IonicContact OE1-CE1 3.7Å; E161-H163 IonicContact OE1-CG 2.86Å; E161-H163 PolarHBondContact OE1-N 3.02Å; E161-H163 IonicContact OE1-ND1 3.08Å; E161-H163 PolarHBondContact OE1-ND1 2.86Å; E161-H163 WeakPolarHBondContact OE2-CA 3.23Å; E161-H163 WeakPolarHBondContact OE2-CB 3.47Å; E161-H163 IonicContact OE2-CG 3.87Å; E161-H163 PolarHBondContact OE2-N 2.82Å; E161-H163 IonicContact OE2-ND1 2.96Å; E161-H163 PolarHBondContact OE2-ND1 2.69Å; H163-K165 VanDerWaalsContact C-N 3.32Å; H163-K165 PolarHBondContact O-N 2.93Å; H163-V166 PolarHBondContact O-N 3.03Å; H163-N167 WeakPolarHBondContact O-CB 3.27Å; H163-N167 PolarHBondContact O-N 2.9Å; H163-Y219 PolarHBondContact CD2-N 3.11Å
164	L	93.2	Very high	93.3	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.037	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-40.7	-179.5	-178.4	70.5	0	0	0	111.9	I160 E161 K162 H168 L169 L212 M225 L328	I160-L164 HydrophobicContact CG2-CD2 4.24Å; E161-L164 HydrophobicContact CB-CB 4.26Å; E161-L164 VanDerWaalsContact O-CB 3.23Å; E161-L164 WeakPolarHBondContact O-CB 3.31Å; E161-L164 PolarHBondContact O-N 3.38Å; E161-L164 VanDerWaalsContact O-N 3.11Å; E161-L164 PolarHBondContact OE2-N 3.11Å; K162-L164 VanDerWaalsContact C-N 3.27Å; K162-L164 PolarHBondContact O-N 3.42Å; L164-H168 HydrophobicContact CD1-CB 3.86Å; L164-H168 CarbonylContact O-C 3.51Å; L164-H168 PolarHBondContact O-N 2.85Å; L164-H168 VanDerWaalsContact O-N 3.14Å; L164-L169 HydrophobicContact CD1-CG 4.45Å; L164-L169 HydrophobicContact CD2-CD1 3.98Å; L164-L169 HydrophobicContact CD2-CG 4.38Å; L164-L169 HydrophobicContact CG-CD1 3.91Å; L164-L169 HydrophobicContact CG-CG 3.92Å; L164-L169 PolarHBondContact O-N 2.88Å; L164-L212 HydrophobicContact CD1-CB 4.24Å; L164-L212 HydrophobicContact CD1-CD1 3.89Å; L164-L212 HydrophobicContact CD2-CB 3.61Å; L164-L212 HydrophobicContact CD2-CD1 3.97Å; L164-L212 HydrophobicContact CD2-CG 4.38Å; L164-L212 HydrophobicContact CG-CD1 4.44Å; L164-M225 HydrophobicContact CD1-CE 4.18Å; L164-M225 HydrophobicContact CD1-SD 3.22Å; L164-M225 WeakPolarHBondContact CD1-SD 3.36Å; L164-L328 HydrophobicContact CD2-CD1 4.47Å
165	K	92.8	Very high	93.6	Very high	29 Å²	29	24.9 Å²	24.9	13%	0.126	12%	0.12	C	C	.	.	I	π-helix	trans	-55.1	-58.7	175.3	-72	-169.9	172.6	-173.4	0	112.3	D156 I160 E161 K162 H163 G170 W332	D156-K165 WeakPolarHBondContact OD2-CE 3.39Å; D156-K165 IonicContact OD2-NZ 3.34Å; D156-K165 PolarHBondContact OD2-NZ 2.99Å; I160-K165 HydrophobicContact CB-CG 4.48Å; I160-K165 HydrophobicContact CG2-CD 4.4Å; I160-K165 HydrophobicContact CG2-CG 3.58Å; E161-K165 PolarHBondContact O-N 3.47Å; K162-K165 PolarHBondContact O-N 3.31Å; H163-K165 VanDerWaalsContact C-N 3.32Å; H163-K165 PolarHBondContact O-N 2.93Å; K165-G170 WeakPolarHBondContact O-CA 3.3Å; K165-G170 PolarHBondContact O-N 3.26Å; K165-W332 HydrophobicContact CB-CZ2 4.49Å; K165-W332 HydrophobicContact CD-CZ2 4.14Å; K165-W332 HydrophobicContact CG-CZ2 4.32Å
166	V	91.1	Very high	93.9	Very high	12 Å²	12	23.1 Å²	23.1	7%	0.073	12%	0.115	C	C	.	.	I	π-helix	trans	-71.7	-50	-174.6	-179.2	0	0	0	0	111.7	E120 A148 H163 H171	E120-V166 HydrophobicContact CG-CG2 3.3Å; E120-V166 WeakPolarHBondContact OE1-CG2 3.4Å; A148-V166 HydrophobicContact CB-CB 4.26Å; A148-V166 HydrophobicContact CB-CG1 4.07Å; A148-V166 HydrophobicContact CB-CG2 4.31Å; H163-V166 PolarHBondContact O-N 3.03Å; V166-H171 PolarHBondContact O-ND1 2.88Å
167	N	96	Very high	94.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	I	π-helix	trans	-78.1	-32.1	-165.6	-65.1	-16.7	0	0	0	112	G147 A148 H163 H171 S222 N226	G147-N167 WeakPolarHBondContact CA-OD1 3.46Å; A148-N167 PolarHBondContact N-OD1 3.26Å; A148-N167 PolarHBondContact O-ND2 3.04Å; A148-N167 PolarHBondContact O-OD1 2.79Å; H163-N167 WeakPolarHBondContact O-CB 3.27Å; H163-N167 PolarHBondContact O-N 2.9Å; N167-H171 PolarHBondContact O-ND1 3.14Å; N167-S222 PolarHBondContact ND2-OG 3.2Å; N167-N226 PolarHBondContact O-ND2 2.85Å; N167-N226 PolarHBondContact O-OD1 3.43Å
168	H	97.1	Very high	94.9	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.077	C	C	.	.	I	π-helix	trans	-123.2	-66.1	-171.1	-178.7	69.3	0	0	0	113.1	L164 G170 H171 F172 M225 S325	L164-H168 HydrophobicContact CD1-CB 3.86Å; L164-H168 CarbonylContact O-C 3.51Å; L164-H168 PolarHBondContact O-N 2.85Å; L164-H168 VanDerWaalsContact O-N 3.14Å; H168-G170 PolarHBondContact O-N 3.16Å; H168-H171 CarbonylContact O-C 3.55Å; H168-H171 PolarHBondContact O-N 3.43Å; H168-F172 WeakPolarHBondContact O-CB 3.36Å; H168-F172 PolarHBondContact O-N 2.8Å; H168-M225 HydrophobicContact CB-CB 4.38Å; H168-M225 WeakPolarHBondContact ND1-CB 3.31Å; H168-S325 PolarHBondContact NE2-OG 2.97Å
169	L	96.6	Very high	95.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-62.8	-43.2	-170.8	-67.8	175	0	0	0	113.1	I160 L164 H171 F172 L173 L212 L328 I329 W332	I160-L169 HydrophobicContact CD1-CD1 4.49Å; I160-L169 HydrophobicContact CG2-CD1 3.69Å; L164-L169 HydrophobicContact CD1-CG 4.45Å; L164-L169 HydrophobicContact CD2-CD1 3.98Å; L164-L169 HydrophobicContact CD2-CG 4.38Å; L164-L169 HydrophobicContact CG-CD1 3.91Å; L164-L169 HydrophobicContact CG-CG 3.92Å; L164-L169 PolarHBondContact O-N 2.88Å; L169-H171 VanDerWaalsContact C-N 3.34Å; L169-H171 PolarHBondContact O-N 3.22Å; L169-F172 WeakPolarHBondContact O-CB 3.43Å; L169-F172 PolarHBondContact O-N 2.93Å; L169-L173 PolarHBondContact O-N 2.84Å; L169-L212 HydrophobicContact CD2-CD1 4.22Å; L169-L328 HydrophobicContact CD1-CB 4.37Å; L169-L328 HydrophobicContact CD2-CB 4.3Å; L169-I329 HydrophobicContact CD2-CG1 4.35Å; L169-W332 HydrophobicContact CB-CE3 4.41Å; L169-W332 HydrophobicContact CB-CZ3 4.04Å
170	G	97.7	Very high	95.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-43.9	176.6	0	0	0	0	0	111.8	K165 H168 L174	K165-G170 WeakPolarHBondContact O-CA 3.3Å; K165-G170 PolarHBondContact O-N 3.26Å; H168-G170 PolarHBondContact O-N 3.16Å; G170-L174 VanDerWaalsContact O-CB 3.23Å; G170-L174 WeakPolarHBondContact O-CB 3.48Å; G170-L174 PolarHBondContact O-N 2.83Å
171	H	98.5	Very high	96	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.1	-35	174.3	-75.1	123.7	0	0	0	113	T53 L119 N144 A146 V166 N167 H168 L169 T175	T53-H171 PolarHBondContact OG1-NE2 3.04Å; L119-H171 WeakPolarHBondContact CD1-NE2 3.33Å; N144-H171 HydrophobicContact CB-CB 4.31Å; N144-H171 VanDerWaalsContact CB-CD2 3.47Å; N144-H171 WeakPolarHBondContact CB-CD2 3.15Å; N144-H171 PolarHBondContact OD1-CD2 3.26Å; A146-H171 PolarHBondContact O-CE1 3.05Å; A146-H171 VanDerWaalsContact O-CE1 3.26Å; V166-H171 PolarHBondContact O-ND1 2.88Å; N167-H171 PolarHBondContact O-ND1 3.14Å; H168-H171 CarbonylContact O-C 3.55Å; H168-H171 PolarHBondContact O-N 3.43Å; L169-H171 VanDerWaalsContact C-N 3.34Å; L169-H171 PolarHBondContact O-N 3.22Å; H171-T175 WeakPolarHBondContact O-CB 3.38Å; H171-T175 PolarHBondContact O-N 2.74Å; H171-T175 PolarHBondContact O-OG1 3.03Å
172	F	98.4	Very high	96.3	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.009	10%	0.095	C	C	.	.	H	α-helix	trans	-61.6	-51.8	176	-172	-73.9	0	0	0	110.2	H168 L169 T175 K176 H229 W322 E326 I329	H168-F172 WeakPolarHBondContact O-CB 3.36Å; H168-F172 PolarHBondContact O-N 2.8Å; L169-F172 WeakPolarHBondContact O-CB 3.43Å; L169-F172 PolarHBondContact O-N 2.93Å; F172-T175 PolarHBondContact O-N 3.36Å; F172-K176 HydrophobicContact CE1-CD 4.37Å; F172-K176 WeakPolarHBondContact O-CB 3.37Å; F172-K176 PolarHBondContact O-N 2.96Å; F172-H229 AromaticContact CD2-CD2 3.59Å; F172-H229 AromaticContact CD2-CE1 3.96Å; F172-H229 AromaticContact CD2-NE2 3.45Å; F172-H229 WeakPolarHBondContact CD2-NE2 3.38Å; F172-H229 AromaticContact CE2-CD2 3.97Å; F172-H229 AromaticContact CG-NE2 4Å; F172-W322 AromaticContact CE2-CD2 3.76Å; F172-W322 HydrophobicContact CE2-CD2 3.76Å; F172-W322 AromaticContact CE2-CE3 3.53Å; F172-W322 HydrophobicContact CE2-CE3 3.53Å; F172-W322 HydrophobicContact CE2-CG 4.34Å; F172-W322 HydrophobicContact CE2-CH2 4.28Å; F172-W322 HydrophobicContact CE2-CZ2 4.44Å; F172-W322 AromaticContact CE2-CZ3 3.83Å; F172-W322 HydrophobicContact CE2-CZ3 3.83Å; F172-W322 AromaticContact CZ-CD2 3.69Å; F172-W322 HydrophobicContact CZ-CD2 3.69Å; F172-W322 AromaticContact CZ-CE2 3.67Å; F172-W322 AromaticContact CZ-CE3 3.91Å; F172-W322 HydrophobicContact CZ-CE3 3.91Å; F172-W322 HydrophobicContact CZ-CG 4.18Å; F172-W322 HydrophobicContact CZ-CH2 4.19Å; F172-W322 AromaticContact CZ-CZ2 3.95Å; F172-W322 HydrophobicContact CZ-CZ2 3.95Å; F172-W322 HydrophobicContact CZ-CZ3 4.17Å; F172-E326 HydrophobicContact CE1-CG 3.76Å; F172-E326 HydrophobicContact CZ-CG 3.79Å; F172-I329 HydrophobicContact CB-CD1 4.17Å; F172-I329 HydrophobicContact CD1-CD1 3.25Å; F172-I329 HydrophobicContact CE1-CD1 3.94Å; F172-I329 HydrophobicContact CG-CD1 4.05Å
173	L	98.4	Very high	96.4	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-50.1	175.4	178.4	56.7	0	0	0	111.2	P122 I125 L169 T175 K176 L177 I329	P122-L173 HydrophobicContact CB-CD2 3.88Å; I125-L173 HydrophobicContact CB-CD2 4.2Å; I125-L173 HydrophobicContact CD1-CD2 4.07Å; I125-L173 HydrophobicContact CG2-CB 4.36Å; I125-L173 HydrophobicContact CG2-CD2 4.11Å; I125-L173 HydrophobicContact CG2-CG 3.89Å; L169-L173 PolarHBondContact O-N 2.84Å; L173-T175 VanDerWaalsContact C-N 3.34Å; L173-T175 PolarHBondContact O-N 3.09Å; L173-K176 PolarHBondContact O-N 3.2Å; L173-L177 HydrophobicContact CD1-CD1 3.66Å; L173-L177 HydrophobicContact CD1-CD2 4.43Å; L173-L177 HydrophobicContact CD1-CG 3.87Å; L173-L177 HydrophobicContact CG-CD1 3.76Å; L173-L177 HydrophobicContact CG-CG 4.37Å; L173-L177 WeakPolarHBondContact O-CB 3.33Å; L173-L177 VanDerWaalsContact O-CG 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.44Å; L173-L177 PolarHBondContact O-N 3.47Å; L173-I329 HydrophobicContact CB-CD1 3.88Å; L173-I329 HydrophobicContact CB-CG1 4.4Å; L173-I329 HydrophobicContact CD1-CG2 3.88Å; L173-I329 HydrophobicContact CD2-CG2 4.45Å
174	L	98.7	Very high	96.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-54.5	-50	178.4	178	68.5	0	0	0	111.8	T53 L117 L119 I125 F128 G170 K176 L177 L178	T53-L174 HydrophobicContact CG2-CD2 3.72Å; L117-L174 HydrophobicContact CD1-CD1 4.26Å; L117-L174 HydrophobicContact CD2-CD1 4.34Å; L117-L174 HydrophobicContact CD2-CD2 3.86Å; L119-L174 HydrophobicContact CD2-CD2 4.28Å; I125-L174 HydrophobicContact CG2-CB 3.84Å; I125-L174 HydrophobicContact CG2-CD1 4.1Å; F128-L174 HydrophobicContact CD1-CD1 3.56Å; F128-L174 HydrophobicContact CE1-CD1 3.72Å; G170-L174 VanDerWaalsContact O-CB 3.23Å; G170-L174 WeakPolarHBondContact O-CB 3.48Å; G170-L174 PolarHBondContact O-N 2.83Å; L174-K176 PolarHBondContact O-N 3.03Å; L174-L177 PolarHBondContact O-N 3.15Å; L174-L178 HydrophobicContact CD1-CD1 3.8Å; L174-L178 HydrophobicContact CD1-CG 4.15Å; L174-L178 HydrophobicContact CG-CD1 3.94Å; L174-L178 WeakPolarHBondContact O-CB 3.28Å; L174-L178 WeakPolarHBondContact O-CG 3.44Å; L174-L178 PolarHBondContact O-N 2.89Å
175	T	98.6	Very high	96	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.7	-40.3	-176.6	-56.3	0	0	0	0	110.9	L142 N144 H171 F172 L173 L178 K179 L182 V192 I233 W237	L142-T175 HydrophobicContact CD2-CG2 4.2Å; N144-T175 PolarHBondContact ND2-OG1 3.38Å; H171-T175 WeakPolarHBondContact O-CB 3.38Å; H171-T175 PolarHBondContact O-N 2.74Å; H171-T175 PolarHBondContact O-OG1 3.03Å; F172-T175 PolarHBondContact O-N 3.36Å; L173-T175 VanDerWaalsContact C-N 3.34Å; L173-T175 PolarHBondContact O-N 3.09Å; T175-L178 PolarHBondContact O-N 3.17Å; T175-K179 PolarHBondContact O-N 2.9Å; T175-K179 VanDerWaalsContact O-N 3.15Å; T175-L182 HydrophobicContact CG2-CD1 4.34Å; T175-V192 HydrophobicContact CG2-CG1 4.08Å; T175-I233 HydrophobicContact CG2-CD1 3.78Å; T175-W237 HydrophobicContact CG2-CH2 3.87Å; T175-W237 HydrophobicContact CG2-CZ3 3.62Å
176	K	98.1	Very high	95.7	Very high	89 Å²	89	29 Å²	29	39%	0.387	16%	0.157	S	C	.	.	H	α-helix	trans	-64.4	-41.7	175.3	-172.6	172.3	175.2	175.7	0	112	F172 L173 L174 K179 E326	F172-K176 HydrophobicContact CE1-CD 4.37Å; F172-K176 WeakPolarHBondContact O-CB 3.37Å; F172-K176 PolarHBondContact O-N 2.96Å; L173-K176 PolarHBondContact O-N 3.2Å; L174-K176 PolarHBondContact O-N 3.03Å; K176-K179 WeakPolarHBondContact O-CB 3.38Å; K176-K179 PolarHBondContact O-N 3.14Å; K176-E326 IonicContact NZ-OE1 2.71Å; K176-E326 PolarHBondContact NZ-OE1 3.25Å
177	L	98.4	Very high	95.5	Very high	31 Å²	31	32.5 Å²	32.5	16%	0.162	20%	0.195	C	C	.	.	H	α-helix	trans	-69.4	-38.6	178.3	-69.4	169.4	0	0	0	112.5	I125 R126 A129 I133 L173 L174 K179 P180	I125-L177 HydrophobicContact CG2-CD1 3.95Å; R126-L177 HydrophobicContact CB-CD1 4.48Å; R126-L177 HydrophobicContact CG-CD1 3.72Å; A129-L177 HydrophobicContact CB-CB 3.66Å; A129-L177 HydrophobicContact CB-CD1 4.07Å; A129-L177 HydrophobicContact CB-CG 4.47Å; I133-L177 WeakPolarHBondContact CD1-O 3.4Å; L173-L177 HydrophobicContact CD1-CD1 3.66Å; L173-L177 HydrophobicContact CD1-CD2 4.43Å; L173-L177 HydrophobicContact CD1-CG 3.87Å; L173-L177 HydrophobicContact CG-CD1 3.76Å; L173-L177 HydrophobicContact CG-CG 4.37Å; L173-L177 WeakPolarHBondContact O-CB 3.33Å; L173-L177 VanDerWaalsContact O-CG 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.44Å; L173-L177 PolarHBondContact O-N 3.47Å; L174-L177 PolarHBondContact O-N 3.15Å; L177-K179 VanDerWaalsContact C-N 3.28Å; L177-K179 PolarHBondContact O-N 3.14Å; L177-P180 WeakPolarHBondContact O-CD 3.46Å
178	L	98.4	Very high	95.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-76.9	-11.7	179	-69.3	179.1	0	0	0	113.8	I51 F128 A129 I132 L142 L174 T175 P180 C181 L182	I51-L178 HydrophobicContact CD1-CD1 3.89Å; F128-L178 HydrophobicContact CE1-CD1 4.34Å; A129-L178 HydrophobicContact CB-CD2 4.18Å; I132-L178 HydrophobicContact CB-CD2 3.96Å; I132-L178 HydrophobicContact CG2-CD2 3.68Å; L142-L178 HydrophobicContact CD1-CD1 4.2Å; L142-L178 HydrophobicContact CD2-CD1 4.23Å; L174-L178 HydrophobicContact CD1-CD1 3.8Å; L174-L178 HydrophobicContact CD1-CG 4.15Å; L174-L178 HydrophobicContact CG-CD1 3.94Å; L174-L178 WeakPolarHBondContact O-CB 3.28Å; L174-L178 WeakPolarHBondContact O-CG 3.44Å; L174-L178 PolarHBondContact O-N 2.89Å; T175-L178 PolarHBondContact O-N 3.17Å; L178-P180 VanDerWaalsContact C-N 3.26Å; L178-P180 WeakPolarHBondContact O-CD 3.27Å; L178-C181 PolarHBondContact O-N 2.87Å; L178-L182 HydrophobicContact CB-CG 4.34Å; L178-L182 PolarHBondContact O-N 3.46Å; L178-L182 VanDerWaalsContact O-N 3.14Å
179	K	97.5	Very high	95.2	Very high	67 Å²	67	36.3 Å²	36.3	29%	0.291	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-42.6	-44.1	-179.4	-166	-163.7	180	-152.4	0	113.9	T175 K176 L177 C181 L182 W237 D240 I242	T175-K179 PolarHBondContact O-N 2.9Å; T175-K179 VanDerWaalsContact O-N 3.15Å; K176-K179 WeakPolarHBondContact O-CB 3.38Å; K176-K179 PolarHBondContact O-N 3.14Å; L177-K179 VanDerWaalsContact C-N 3.28Å; L177-K179 PolarHBondContact O-N 3.14Å; K179-C181 PolarHBondContact O-N 3.14Å; K179-C181 VanDerWaalsContact O-N 3.14Å; K179-L182 PolarHBondContact O-N 2.96Å; K179-L182 VanDerWaalsContact O-N 3.15Å; K179-W237 HydrophobicContact CB-CH2 4.26Å; K179-W237 HydrophobicContact CB-CZ3 4.39Å; K179-W237 HydrophobicContact CD-CD2 4.1Å; K179-W237 HydrophobicContact CD-CH2 4.45Å; K179-W237 HydrophobicContact CD-CZ2 4.01Å; K179-W237 HydrophobicContact CG-CD2 4.22Å; K179-W237 HydrophobicContact CG-CE3 4.13Å; K179-W237 HydrophobicContact CG-CH2 4.23Å; K179-W237 HydrophobicContact CG-CZ2 4.29Å; K179-W237 HydrophobicContact CG-CZ3 4.14Å; K179-D240 WeakPolarHBondContact CE-OD2 3.26Å; K179-D240 IonicContact NZ-OD2 2.73Å; K179-D240 PolarHBondContact NZ-OD2 2.95Å; K179-I242 HydrophobicContact CG-CD1 4.26Å
180	P	95.3	Very high	95.2	Very high	79 Å²	79	36.3 Å²	36.3	51%	0.513	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-61.4	-22.1	179.8	-24.1	36.4	0	0	0	115.3	L177 L178 K183	L177-P180 WeakPolarHBondContact O-CD 3.46Å; L178-P180 VanDerWaalsContact C-N 3.26Å; L178-P180 WeakPolarHBondContact O-CD 3.27Å; P180-K183 WeakPolarHBondContact O-CE 3.12Å
181	C	96	Very high	95.2	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.054	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-105.5	-10.2	177.2	-65.9	0	0	0	0	113.2	E136 S138 I139 L178 K179 K183	E136-C181 PolarHBondContact O-SG 3.15Å; E136-C181 VanDerWaalsContact O-SG 3.37Å; S138-C181 CarbonylContact C-O 3.53Å; S138-C181 WeakPolarHBondContact CA-O 3.43Å; I139-C181 HydrophobicContact CD1-CB 3.88Å; I139-C181 PolarHBondContact N-O 3.49Å; L178-C181 PolarHBondContact O-N 2.87Å; K179-C181 PolarHBondContact O-N 3.14Å; K179-C181 VanDerWaalsContact O-N 3.14Å; C181-K183 PolarHBondContact O-N 2.96Å; C181-K183 VanDerWaalsContact O-N 3.09Å
182	L	97.5	Very high	95.3	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	22%	0.219	C	C	.	.			trans	-73.6	96.5	172.2	-65.5	-177.7	0	0	0	109.2	I139 L142 T175 L178 K179 V192 W237 I242	I139-L182 HydrophobicContact CB-CD2 4.27Å; I139-L182 HydrophobicContact CG2-CD2 4.13Å; L142-L182 HydrophobicContact CB-CD2 3.89Å; L142-L182 HydrophobicContact CD2-CD1 4.29Å; L142-L182 HydrophobicContact CD2-CD2 4.24Å; T175-L182 HydrophobicContact CG2-CD1 4.34Å; L178-L182 HydrophobicContact CB-CG 4.34Å; L178-L182 PolarHBondContact O-N 3.46Å; L178-L182 VanDerWaalsContact O-N 3.14Å; K179-L182 PolarHBondContact O-N 2.96Å; K179-L182 VanDerWaalsContact O-N 3.15Å; L182-V192 HydrophobicContact CD1-CG2 3.83Å; L182-W237 HydrophobicContact CD1-CZ3 4.31Å; L182-I242 HydrophobicContact CB-CD1 3.82Å; L182-I242 HydrophobicContact CB-CG1 4.46Å
183	K	93.2	Very high	95.3	Very high	109 Å²	109	36.7 Å²	36.7	47%	0.474	22%	0.218	S	C	.	.			trans	-133.1	148	-173	-67.6	-177.5	-178.6	167.1	0	111.3	P140 P180 C181	P140-K183 WeakPolarHBondContact CA-O 3.25Å; P180-K183 WeakPolarHBondContact O-CE 3.12Å; C181-K183 PolarHBondContact O-N 2.96Å; C181-K183 VanDerWaalsContact O-N 3.09Å
184	A	89.4	Confident	95.3	Very high	53 Å²	53	36.5 Å²	36.5	44%	0.438	22%	0.217	S	C	.	.			trans	-54.5	146.6	168.9	0	0	0	0	0	110.8	E188	A184-E188 CarbonylContact C-O 3.46Å; A184-E188 WeakPolarHBondContact CA-O 3.48Å; A184-E188 WeakPolarHBondContact CB-O 3.34Å
185	S	87.9	Confident	95.3	Very high	27 Å²	27	36.8 Å²	36.8	19%	0.189	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-135.7	138.4	175.6	-169.7	0	0	0	0	108.5	G187 E188	S185-G187 PolarHBondContact O-N 3.37Å; S185-E188 PolarHBondContact N-O 3.23Å; S185-E188 WeakPolarHBondContact O-CB 3.43Å; S185-E188 PolarHBondContact O-N 3.1Å
186	D	86.8	Confident	95.1	Very high	122 Å²	122	36.9 Å²	36.9	65%	0.652	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	34.6	174	-45.5	-60	0	0	0	114.1	K48 E188	K48-D186 VanDerWaalsContact CE-OD2 3.29Å; K48-D186 WeakPolarHBondContact CE-OD2 3.24Å; D186-E188 PolarHBondContact O-N 3.15Å
187	G	87	Confident	94.8	Very high	86 Å²	86	33.4 Å²	33.4	89%	0.887	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	0.3	-176.5	0	0	0	0	0	114.7	S185	S185-G187 PolarHBondContact O-N 3.37Å
188	E	91.7	Very high	94.3	Very high	39 Å²	39	36.4 Å²	36.4	18%	0.182	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-96.3	141.3	176.2	-65	-176.8	-176.8	0	0	111.5	K48 A184 S185 D186 R191 K292	K48-E188 IonicContact NZ-OE1 3.48Å; K48-E188 IonicContact NZ-OE2 3.9Å; K48-E188 PolarHBondContact NZ-OE2 3.43Å; A184-E188 CarbonylContact C-O 3.46Å; A184-E188 WeakPolarHBondContact CA-O 3.48Å; A184-E188 WeakPolarHBondContact CB-O 3.34Å; S185-E188 PolarHBondContact N-O 3.23Å; S185-E188 WeakPolarHBondContact O-CB 3.43Å; S185-E188 PolarHBondContact O-N 3.1Å; D186-E188 PolarHBondContact O-N 3.15Å; E188-R191 IonicContact OE2-CZ 3.61Å; E188-R191 IonicContact OE2-NH1 3.64Å; E188-R191 PolarHBondContact OE2-NH1 2.85Å; E188-R191 IonicContact OE2-NH2 3.6Å; E188-R191 PolarHBondContact OE2-NH2 3.08Å; E188-K292 WeakPolarHBondContact OE1-CE 3.44Å
189	P	94.8	Very high	93.8	Very high	43 Å²	43	39.8 Å²	39.8	28%	0.279	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-63.7	148.6	176.2	26.6	-33.5	0	0	0	111.4	G241 I243	P189-G241 CarbonylContact C-O 2.96Å; P189-G241 WeakPolarHBondContact CA-O 3.09Å; P189-G241 WeakPolarHBondContact CB-O 3.38Å; P189-I243 HydrophobicContact CB-CD1 3.72Å; P189-I243 HydrophobicContact CB-CG1 3.86Å; P189-I243 HydrophobicContact CG-CD1 3.39Å; P189-I243 HydrophobicContact CG-CG1 4.09Å
190	C	97.4	Very high	93.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	140.2	169.7	179.4	0	0	0	0	109.7	I139 P140 G241 I242 I243	I139-C190 PolarHBondContact O-SG 2.84Å; I139-C190 VanDerWaalsContact O-SG 3.36Å; P140-C190 CarbonylContact O-C 3.54Å; P140-C190 VanDerWaalsContact O-CA 3.31Å; P140-C190 WeakPolarHBondContact O-CA 3.47Å; P140-C190 PolarHBondContact O-SG 2.9Å; C190-G241 PolarHBondContact N-O 3.15Å; C190-I242 HydrophobicContact CB-CB 4.47Å; C190-I242 HydrophobicContact CB-CG1 4.09Å; C190-I242 HydrophobicContact CB-CG2 4.44Å; C190-I243 PolarHBondContact O-N 3.26Å; C190-I243 VanDerWaalsContact O-O 3.13Å
191	R	98.1	Very high	93.3	Very high	9 Å²	9	39.1 Å²	39.1	3%	0.034	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.7	-177.9	-59.9	179	-177	127.6	13.3	110.6	P140 I141 L142 E188 I243 A289 L294	P140-R191 PolarHBondContact O-N 3.24Å; I141-R191 CarbonylContact C-O 3.58Å; I141-R191 WeakPolarHBondContact CA-O 3.42Å; I141-R191 HydrophobicContact CG1-CB 4.47Å; I141-R191 HydrophobicContact CG2-CB 4.5Å; L142-R191 PolarHBondContact N-O 2.99Å; E188-R191 IonicContact OE2-CZ 3.61Å; E188-R191 IonicContact OE2-NH1 3.64Å; E188-R191 PolarHBondContact OE2-NH1 2.85Å; E188-R191 IonicContact OE2-NH2 3.6Å; E188-R191 PolarHBondContact OE2-NH2 3.08Å; R191-I243 CarbonylContact C-O 3.57Å; R191-I243 WeakPolarHBondContact CA-O 3.37Å; R191-A289 PolarHBondContact NH1-O 2.57Å; R191-L294 HydrophobicContact CG-CD1 4.31Å
192	V	98.7	Very high	93	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	111.3	167.4	-176.8	0	0	0	0	109.3	L142 T175 L182 I194 I233 I242 I243 S244 V245	L142-V192 HydrophobicContact CB-CG2 4.42Å; L142-V192 HydrophobicContact CD2-CG1 4.25Å; L142-V192 HydrophobicContact CG-CG1 4.47Å; L142-V192 CarbonylContact O-C 3.6Å; L142-V192 WeakPolarHBondContact O-CA 3.45Å; T175-V192 HydrophobicContact CG2-CG1 4.08Å; L182-V192 HydrophobicContact CD1-CG2 3.83Å; V192-I194 HydrophobicContact CG1-CD1 4.35Å; V192-I194 HydrophobicContact CG1-CG1 4.09Å; V192-I233 HydrophobicContact CG1-CD1 4.18Å; V192-I242 HydrophobicContact CG2-CG2 3.89Å; V192-I243 PolarHBondContact N-O 2.81Å; V192-S244 CarbonylContact O-C 3.59Å; V192-S244 WeakPolarHBondContact O-CA 3.46Å; V192-S244 VanDerWaalsContact O-CB 3.25Å; V192-S244 WeakPolarHBondContact O-CB 3.49Å; V192-V245 PolarHBondContact O-N 2.93Å
193	I	98.8	Very high	92.7	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.8	-176.3	-57.6	168.3	0	0	0	108.7	I141 L142 I143 N144 L195 V245 V247 T285 C288 A289	I141-I193 HydrophobicContact CG2-CD1 4.3Å; L142-I193 PolarHBondContact O-N 2.91Å; I143-I193 HydrophobicContact CD1-CD1 4.41Å; I143-I193 HydrophobicContact CG1-CB 4.46Å; I143-I193 HydrophobicContact CG1-CD1 4.28Å; I143-I193 HydrophobicContact CG2-CB 4.46Å; N144-I193 PolarHBondContact N-O 3.28Å; I193-L195 HydrophobicContact CG2-CD2 4.35Å; I193-V245 HydrophobicContact CG1-CG2 4.11Å; I193-V245 HydrophobicContact CG2-CG2 4.47Å; I193-V247 HydrophobicContact CG2-CB 4.41Å; I193-V247 HydrophobicContact CG2-CG2 3.69Å; I193-T285 HydrophobicContact CG2-CG2 4.14Å; I193-C288 VanDerWaalsContact CD1-C 3.46Å; I193-C288 HydrophobicContact CD1-CB 3.93Å; I193-C288 WeakPolarHBondContact CD1-O 3.34Å; I193-C288 HydrophobicContact CG1-CB 4.23Å; I193-C288 HydrophobicContact CG2-CB 4.36Å; I193-A289 HydrophobicContact CD1-CB 3.83Å
194	I	98.7	Very high	92.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.8	-174.5	-49	-171.9	0	0	0	110.8	N144 V192 S196 N226 H229 A230 I233 V245 S246 V247	N144-I194 HydrophobicContact CB-CG1 4.35Å; N144-I194 HydrophobicContact CB-CG2 4.3Å; V192-I194 HydrophobicContact CG1-CD1 4.35Å; V192-I194 HydrophobicContact CG1-CG1 4.09Å; I194-S196 PolarHBondContact O-N 3.49Å; I194-N226 HydrophobicContact CG2-CB 3.7Å; I194-H229 HydrophobicContact CD1-CB 4.22Å; I194-H229 WeakPolarHBondContact CD1-ND1 3.24Å; I194-A230 HydrophobicContact CD1-CB 4.13Å; I194-A230 HydrophobicContact CG1-CB 4.43Å; I194-I233 HydrophobicContact CD1-CD1 3.76Å; I194-V245 PolarHBondContact N-O 2.88Å; I194-S246 CarbonylContact O-C 3.6Å; I194-S246 VanDerWaalsContact O-CA 3.25Å; I194-S246 WeakPolarHBondContact O-CA 3.28Å; I194-V247 PolarHBondContact O-N 3.43Å
195	L	98	Very high	92.9	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	116.2	-178.4	-83.2	-71.5	0	0	0	111.3	I143 N144 N145 I193 K223 N226 V247 P249 T285	I143-L195 HydrophobicContact CG2-CD2 4.04Å; N144-L195 PolarHBondContact O-N 3.47Å; N145-L195 HydrophobicContact CB-CD2 4.04Å; N145-L195 HydrophobicContact CB-CG 4.19Å; I193-L195 HydrophobicContact CG2-CD2 4.35Å; L195-K223 PolarHBondContact O-NZ 3.47Å; L195-N226 PolarHBondContact O-ND2 3.46Å; L195-V247 HydrophobicContact CD1-CB 4.28Å; L195-V247 HydrophobicContact CD1-CG1 4.08Å; L195-P249 HydrophobicContact CD1-CB 4.27Å; L195-P249 HydrophobicContact CD1-CG 4.18Å; L195-T285 HydrophobicContact CD2-CG2 4.17Å
196	S	96.1	Very high	92.8	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	25%	0.249	C	C	.	.			trans	-106.3	-160.1	171.8	-171.4	0	0	0	0	110.9	I194 K223 V227 V247 P249	I194-S196 PolarHBondContact O-N 3.49Å; S196-K223 PolarHBondContact OG-O 3.27Å; S196-V227 VanDerWaalsContact OG-CG2 3.29Å; S196-V227 WeakPolarHBondContact OG-CG2 3.06Å; S196-V247 CarbonylContact C-O 3.59Å; S196-V247 WeakPolarHBondContact CA-O 3.24Å; S196-V247 PolarHBondContact N-O 3.29Å; S196-P249 WeakPolarHBondContact O-CD 3.25Å
197	S	91.2	Very high	92	Very high	16 Å²	16	44 Å²	44	11%	0.112	23%	0.234	C	C	.	.			trans	-154.9	157.3	179.6	176.8	0	0	0	0	110.1	L199 H200 H248	S197-L199 PolarHBondContact O-N 2.87Å; S197-L199 VanDerWaalsContact O-N 3.1Å; S197-L199 PolarHBondContact OG-N 3.08Å; S197-H200 WeakPolarHBondContact O-CB 3.18Å; S197-H200 PolarHBondContact O-N 2.97Å; S197-H200 PolarHBondContact O-ND1 3.2Å; S197-H248 WeakPolarHBondContact CA-ND1 3.11Å
198	L	87.7	Confident	91.2	Very high	95 Å²	95	47.5 Å²	47.5	50%	0.497	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-54.2	-27.3	167.3	-78.9	166.1	0	0	0	112.8	H200 W201 H248	L198-H200 PolarHBondContact O-N 3.1Å; L198-H200 VanDerWaalsContact O-N 3.11Å; L198-W201 VanDerWaalsContact O-CB 3.29Å; L198-W201 WeakPolarHBondContact O-CB 3.48Å; L198-W201 PolarHBondContact O-N 3.1Å; L198-H248 WeakPolarHBondContact CD1-NE2 3.43Å; L198-H248 VanDerWaalsContact CG-CD2 3.43Å; L198-H248 WeakPolarHBondContact CG-CD2 3.23Å; L198-H248 WeakPolarHBondContact CG-NE2 3.49Å; L198-H248 PolarHBondContact N-ND1 3.12Å
199	L	88.2	Confident	89.9	Confident	71 Å²	71	46.9 Å²	46.9	37%	0.372	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-61.3	-19.8	177.8	-67.5	180	0	0	0	113.4	S197 W201 F202 Y219 A220	S197-L199 PolarHBondContact O-N 2.87Å; S197-L199 VanDerWaalsContact O-N 3.1Å; S197-L199 PolarHBondContact OG-N 3.08Å; L199-W201 PolarHBondContact O-N 3.28Å; L199-F202 HydrophobicContact CD2-CD2 4.21Å; L199-F202 PolarHBondContact O-N 2.93Å; L199-F202 VanDerWaalsContact O-N 3.12Å; L199-Y219 HydrophobicContact CB-CD1 4.38Å; L199-Y219 HydrophobicContact CD1-CD1 3.65Å; L199-Y219 HydrophobicContact CD1-CE1 3.89Å; L199-A220 HydrophobicContact CB-CB 4.11Å; L199-A220 WeakPolarHBondContact O-CB 3.2Å
200	H	91.6	Very high	88.4	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.009	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-58	-29	173.1	89	-87.9	0	0	0	112.9	S197 L198 F202 A203 K223 L224 V227 F299 C308 N309	S197-H200 WeakPolarHBondContact O-CB 3.18Å; S197-H200 PolarHBondContact O-N 2.97Å; S197-H200 PolarHBondContact O-ND1 3.2Å; L198-H200 PolarHBondContact O-N 3.1Å; L198-H200 VanDerWaalsContact O-N 3.11Å; H200-F202 VanDerWaalsContact C-N 3.26Å; H200-F202 PolarHBondContact O-N 3.42Å; H200-A203 PolarHBondContact O-N 2.88Å; H200-K223 HydrophobicContact CB-CB 4.19Å; H200-L224 HydrophobicContact CB-CB 4.14Å; H200-V227 HydrophobicContact CB-CG2 4.31Å; H200-F299 AromaticContact CE1-CE1 3.67Å; H200-F299 AromaticContact CE1-CE2 3.7Å; H200-F299 AromaticContact CE1-CZ 3.38Å; H200-F299 WeakPolarHBondContact CE1-CZ 3.48Å; H200-F299 AromaticContact ND1-CE2 3.93Å; H200-F299 AromaticContact ND1-CZ 3.8Å; H200-C308 WeakPolarHBondContact NE2-CA 3.44Å; H200-C308 WeakPolarHBondContact NE2-CB 3.43Å; H200-N309 PolarHBondContact NE2-N 2.86Å; H200-N309 VanDerWaalsContact NE2-N 3.16Å; H200-N309 PolarHBondContact O-ND2 2.94Å
201	W	91.2	Very high	86.8	Confident	130 Å²	130	52.9 Å²	52.9	49%	0.492	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-65.4	-31.4	179.8	-172	-86.2	0	0	0	112.3	L198 L199 R307 C308 N309	L198-W201 VanDerWaalsContact O-CB 3.29Å; L198-W201 WeakPolarHBondContact O-CB 3.48Å; L198-W201 PolarHBondContact O-N 3.1Å; L199-W201 PolarHBondContact O-N 3.28Å; W201-R307 HydrophobicContact CZ3-CB 4.16Å; W201-C308 WeakPolarHBondContact CZ3-O 3.29Å; W201-N309 PolarHBondContact O-ND2 2.93Å
202	F	88.8	Confident	85.7	Confident	150 Å²	150	53.2 Å²	53.2	66%	0.658	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-93.6	2.4	-176.1	-57.1	-70.4	0	0	0	113.7	L199 H200	L199-F202 HydrophobicContact CD2-CD2 4.21Å; L199-F202 PolarHBondContact O-N 2.93Å; L199-F202 VanDerWaalsContact O-N 3.12Å; H200-F202 VanDerWaalsContact C-N 3.26Å; H200-F202 PolarHBondContact O-N 3.42Å
203	A	91.8	Very high	84.8	Confident	5 Å²	5	55 Å²	55	4%	0.041	29%	0.287	C	S	.	.			trans	-90	152	174.4	0	0	0	0	0	111.4	H200 V215 A220 I221 L224 N309	H200-A203 PolarHBondContact O-N 2.88Å; A203-V215 CarbonylContact C-O 3.59Å; A203-V215 WeakPolarHBondContact CA-O 3.34Å; A203-A220 HydrophobicContact CB-CB 4.05Å; A203-A220 WeakPolarHBondContact CB-O 3.37Å; A203-I221 HydrophobicContact CB-CG1 4.14Å; A203-L224 HydrophobicContact CB-CB 4.03Å; A203-L224 HydrophobicContact CB-CD2 3.81Å; A203-N309 PolarHBondContact O-ND2 3.1Å
204	K	93.4	Very high	84.1	Confident	127 Å²	127	55.5 Å²	55.5	55%	0.552	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	117.8	168.3	-173.2	178.5	179.9	178.4	0	110.5	G214 V215	K204-G214 CarbonylContact O-C 3.57Å; K204-G214 WeakPolarHBondContact O-CA 3.33Å; K204-V215 HydrophobicContact CB-CB 4.27Å; K204-V215 PolarHBondContact N-O 2.79Å; K204-V215 PolarHBondContact O-N 3.31Å
205	L	92.7	Very high	83.5	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	144.3	176	-57.9	-178.1	0	0	0	111.5	P207 I221 L224 M225 I228 Q311 V321	L205-P207 WeakPolarHBondContact O-CD 3.31Å; L205-I221 HydrophobicContact CD2-CG2 3.77Å; L205-L224 HydrophobicContact CD1-CD2 4.28Å; L205-L224 HydrophobicContact CD1-CG 4.33Å; L205-L224 HydrophobicContact CD2-CD2 4.35Å; L205-L224 HydrophobicContact CG-CD2 3.8Å; L205-L224 HydrophobicContact CG-CG 4.33Å; L205-M225 HydrophobicContact CD1-CE 4.43Å; L205-M225 HydrophobicContact CD1-CG 4.17Å; L205-M225 HydrophobicContact CD2-CE 3.42Å; L205-M225 VanDerWaalsContact CD2-CE 3.42Å; L205-M225 HydrophobicContact CD2-CG 4.31Å; L205-I228 HydrophobicContact CD1-CD1 3.51Å; L205-Q311 PolarHBondContact O-NE2 3.14Å; L205-V321 HydrophobicContact CD1-CG2 3.51Å
206	H	86	Confident	82.9	Confident	85 Å²	85	60.9 Å²	60.9	39%	0.394	33%	0.332	S	S	.	.			trans	-97.5	106.6	168.6	-63.3	-63.4	0	0	0	109.3	N208 S209 S213 G214	H206-N208 PolarHBondContact O-N 3.37Å; H206-N208 VanDerWaalsContact O-N 3.09Å; H206-S209 PolarHBondContact O-N 2.79Å; H206-S209 PolarHBondContact O-OG 3.01Å; H206-S213 PolarHBondContact N-O 2.85Å; H206-G214 VanDerWaalsContact CD2-CA 3.5Å; H206-G214 WeakPolarHBondContact CD2-CA 3.44Å
207	P	70.3	Confident	82.5	Confident	51 Å²	51	63.6 Å²	63.6	33%	0.331	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.7	-177.9	26	-33.7	0	0	0	114.1	L205 H320	L205-P207 WeakPolarHBondContact O-CD 3.31Å; P207-H320 PolarHBondContact O-CE1 3.4Å; P207-H320 PolarHBondContact O-ND1 3.01Å; P207-H320 PolarHBondContact O-NE2 2.99Å; P207-H320 VanDerWaalsContact O-NE2 3.07Å
208	N	70.4	Confident	82.5	Confident	160 Å²	160	63 Å²	63	86%	0.856	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	2.8	-178.3	-63.1	-15.5	0	0	0	113.2	H206	H206-N208 PolarHBondContact O-N 3.37Å; H206-N208 VanDerWaalsContact O-N 3.09Å
209	S	65	Low	82.6	Confident	26 Å²	26	59.6 Å²	59.6	18%	0.182	33%	0.329	C	S	.	.			trans	-84.8	126.2	171.1	57.2	0	0	0	0	108.8	H206 F211 S213	H206-S209 PolarHBondContact O-N 2.79Å; H206-S209 PolarHBondContact O-OG 3.01Å; S209-F211 CarbonylContact C-O 3.58Å; S209-F211 WeakPolarHBondContact CB-O 3.31Å; S209-F211 CarbonylContact O-C 3.52Å; S209-F211 PolarHBondContact O-N 2.77Å; S209-F211 VanDerWaalsContact O-N 3.1Å; S209-F211 PolarHBondContact OG-O 3.04Å; S209-S213 WeakPolarHBondContact CB-OG 3.47Å; S209-S213 PolarHBondContact OG-OG 2.65Å
210	G	63.4	Low	82.8	Confident	64 Å²	64	56.4 Å²	56.4	66%	0.66	31%	0.312	S	S	*	.	S	Bend	trans	-58.4	-23.2	176.9	0	0	0	0	0	113.5
211	F	63.1	Low	82.9	Confident	106 Å²	106	56.8 Å²	56.8	47%	0.465	31%	0.314	S	S	.	.	S	Bend	trans	-93.9	145.4	168.7	-61.9	-81.7	0	0	0	110.5	S209 S213	S209-F211 CarbonylContact C-O 3.58Å; S209-F211 WeakPolarHBondContact CB-O 3.31Å; S209-F211 CarbonylContact O-C 3.52Å; S209-F211 PolarHBondContact O-N 2.77Å; S209-F211 VanDerWaalsContact O-N 3.1Å; S209-F211 PolarHBondContact OG-O 3.04Å; F211-S213 PolarHBondContact O-N 3.06Å
212	L	74.5	Confident	83.1	Confident	15 Å²	15	50.6 Å²	50.6	8%	0.079	29%	0.291	C	S	.	.	S	Bend	trans	-61.7	76.3	169.9	-79.6	-177.4	0	0	0	110.7	L164 L169 M225 V321 T324 L328	L164-L212 HydrophobicContact CD1-CB 4.24Å; L164-L212 HydrophobicContact CD1-CD1 3.89Å; L164-L212 HydrophobicContact CD2-CB 3.61Å; L164-L212 HydrophobicContact CD2-CD1 3.97Å; L164-L212 HydrophobicContact CD2-CG 4.38Å; L164-L212 HydrophobicContact CG-CD1 4.44Å; L169-L212 HydrophobicContact CD2-CD1 4.22Å; L212-M225 HydrophobicContact CB-CE 3.52Å; L212-M225 HydrophobicContact CB-SD 4Å; L212-M225 HydrophobicContact CD1-CE 4.43Å; L212-M225 HydrophobicContact CD1-SD 3.84Å; L212-M225 HydrophobicContact CD2-CE 3.98Å; L212-M225 HydrophobicContact CD2-SD 4.16Å; L212-M225 HydrophobicContact CG-CE 4.15Å; L212-M225 HydrophobicContact CG-SD 4.21Å; L212-V321 HydrophobicContact CD2-CG1 4.3Å; L212-V321 HydrophobicContact CD2-CG2 4.36Å; L212-T324 HydrophobicContact CD2-CG2 3.85Å; L212-T324 HydrophobicContact CG-CG2 3.77Å; L212-L328 HydrophobicContact CB-CD1 4.12Å; L212-L328 HydrophobicContact CD1-CD1 3.7Å; L212-L328 HydrophobicContact CG-CD1 3.68Å
213	S	79	Confident	83.4	Confident	37 Å²	37	43.7 Å²	43.7	26%	0.259	26%	0.26	S	S	.	.			trans	-122.4	164.1	-170.5	87.7	0	0	0	0	112.1	H206 S209 F211	H206-S213 PolarHBondContact N-O 2.85Å; S209-S213 WeakPolarHBondContact CB-OG 3.47Å; S209-S213 PolarHBondContact OG-OG 2.65Å; F211-S213 PolarHBondContact O-N 3.06Å
214	G	84.3	Confident	83.6	Confident	11 Å²	11	43.4 Å²	43.4	11%	0.113	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	173.7	-172.1	0	0	0	0	0	114.7	K153 K204 H206 I221	K153-G214 PolarHBondContact NZ-O 3.11Å; K204-G214 CarbonylContact O-C 3.57Å; K204-G214 WeakPolarHBondContact O-CA 3.33Å; H206-G214 VanDerWaalsContact CD2-CA 3.5Å; H206-G214 WeakPolarHBondContact CD2-CA 3.44Å; G214-I221 VanDerWaalsContact O-CD1 3.26Å; G214-I221 WeakPolarHBondContact O-CD1 3.25Å
215	V	86.7	Confident	83.8	Confident	87 Å²	87	37.4 Å²	37.4	53%	0.527	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.6	168	-174.8	0	0	0	0	109.1	A203 K204	A203-V215 CarbonylContact C-O 3.59Å; A203-V215 WeakPolarHBondContact CA-O 3.34Å; K204-V215 HydrophobicContact CB-CB 4.27Å; K204-V215 PolarHBondContact N-O 2.79Å; K204-V215 PolarHBondContact O-N 3.31Å
216	G	85.8	Confident	84.1	Confident	32 Å²	32	37.1 Å²	37.1	33%	0.33	23%	0.231	S	C	.	.	S	Bend	trans	115.8	176.7	-175.2	0	0	0	0	0	112.7	K153	K153-G216 WeakPolarHBondContact CE-O 3.46Å; K153-G216 PolarHBondContact NZ-O 3.01Å
217	S	88.2	Confident	84.6	Confident	59 Å²	59	33.3 Å²	33.3	41%	0.413	21%	0.213	S	C	.	.			trans	-67.3	157	174.3	66.6	0	0	0	0	111.4	Y219 A220 I221	S217-Y219 PolarHBondContact O-N 3.35Å; S217-A220 PolarHBondContact O-N 3.04Å; S217-A220 VanDerWaalsContact OG-CB 3.32Å; S217-A220 WeakPolarHBondContact OG-CB 3.47Å; S217-A220 PolarHBondContact OG-N 3.36Å; S217-A220 VanDerWaalsContact OG-N 3.08Å; S217-I221 WeakPolarHBondContact O-CG1 3.13Å; S217-I221 PolarHBondContact O-N 3.3Å
218	G	90.1	Very high	86	Confident	4 Å²	4	30.9 Å²	30.9	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-55.5	-41.7	174.9	0	0	0	0	0	111.3	K153 I221 S222	K153-G218 VanDerWaalsContact CE-N 3.34Å; G218-I221 PolarHBondContact O-N 2.93Å; G218-S222 WeakPolarHBondContact O-CB 3.47Å; G218-S222 PolarHBondContact O-N 3Å; G218-S222 PolarHBondContact O-OG 2.92Å
219	Y	90.1	Very high	87.3	Confident	24 Å²	24	23.5 Å²	23.5	9%	0.094	16%	0.158	C	C	.	.	H	α-helix	trans	-58.3	-52.8	172.8	-172.2	-104.8	0	0	0	113.5	A148 D149 H163 L199 S217 I221 S222 K223	A148-Y219 WeakPolarHBondContact O-CD2 3.39Å; D149-Y219 HydrophobicContact CB-CD2 3.66Å; D149-Y219 HydrophobicContact CB-CE2 3.91Å; D149-Y219 HydrophobicContact CB-CG 4.15Å; D149-Y219 VanDerWaalsContact OD1-CB 3.26Å; D149-Y219 WeakPolarHBondContact OD1-CB 3.24Å; H163-Y219 PolarHBondContact CD2-N 3.11Å; L199-Y219 HydrophobicContact CB-CD1 4.38Å; L199-Y219 HydrophobicContact CD1-CD1 3.65Å; L199-Y219 HydrophobicContact CD1-CE1 3.89Å; S217-Y219 PolarHBondContact O-N 3.35Å; Y219-I221 VanDerWaalsContact C-N 3.29Å; Y219-I221 PolarHBondContact O-N 3.07Å; Y219-S222 PolarHBondContact O-N 3.43Å; Y219-S222 PolarHBondContact O-OG 3.25Å; Y219-K223 HydrophobicContact CD1-CG 4.13Å; Y219-K223 HydrophobicContact CD2-CG 4.33Å; Y219-K223 HydrophobicContact CE1-CG 3.82Å; Y219-K223 HydrophobicContact CE2-CD 4.24Å; Y219-K223 HydrophobicContact CE2-CG 4.03Å; Y219-K223 HydrophobicContact CG-CG 4.39Å; Y219-K223 VanDerWaalsContact CZ-CE 3.42Å; Y219-K223 WeakPolarHBondContact O-CG 3.46Å; Y219-K223 PolarHBondContact O-N 3.1Å; Y219-K223 WeakPolarHBondContact OH-CE 3.43Å
220	A	91.7	Very high	88.9	Confident	4 Å²	4	22.2 Å²	22.2	3%	0.033	15%	0.149	C	C	.	.	H	α-helix	trans	-57.3	-44	-179.6	0	0	0	0	0	112	L199 A203 S217 K223 L224	L199-A220 HydrophobicContact CB-CB 4.11Å; L199-A220 WeakPolarHBondContact O-CB 3.2Å; A203-A220 HydrophobicContact CB-CB 4.05Å; A203-A220 WeakPolarHBondContact CB-O 3.37Å; S217-A220 PolarHBondContact O-N 3.04Å; S217-A220 VanDerWaalsContact OG-CB 3.32Å; S217-A220 WeakPolarHBondContact OG-CB 3.47Å; S217-A220 PolarHBondContact OG-N 3.36Å; S217-A220 VanDerWaalsContact OG-N 3.08Å; A220-K223 PolarHBondContact O-N 2.72Å; A220-L224 PolarHBondContact O-N 3.45Å
221	I	93.9	Very high	90.5	Very high	10 Å²	10	21.8 Å²	21.8	5%	0.051	13%	0.128	C	C	.	.	H	α-helix	trans	-60.6	-50.5	176.1	-69.6	167	0	0	0	110.4	A203 L205 G214 S217 G218 Y219 K223 L224 M225	A203-I221 HydrophobicContact CB-CG1 4.14Å; L205-I221 HydrophobicContact CD2-CG2 3.77Å; G214-I221 VanDerWaalsContact O-CD1 3.26Å; G214-I221 WeakPolarHBondContact O-CD1 3.25Å; S217-I221 WeakPolarHBondContact O-CG1 3.13Å; S217-I221 PolarHBondContact O-N 3.3Å; G218-I221 PolarHBondContact O-N 2.93Å; Y219-I221 VanDerWaalsContact C-N 3.29Å; Y219-I221 PolarHBondContact O-N 3.07Å; I221-K223 VanDerWaalsContact C-N 3.27Å; I221-K223 PolarHBondContact O-N 2.66Å; I221-L224 WeakPolarHBondContact O-CB 3.14Å; I221-L224 PolarHBondContact O-N 3.48Å; I221-L224 VanDerWaalsContact O-N 3.16Å; I221-M225 HydrophobicContact CG2-CE 3.39Å; I221-M225 WeakPolarHBondContact O-CG 3.14Å; I221-M225 PolarHBondContact O-N 2.88Å
222	S	95.3	Very high	92.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.6	-36.6	178.6	74.3	0	0	0	0	112.6	N167 G218 Y219 M225 N226	N167-S222 PolarHBondContact ND2-OG 3.2Å; G218-S222 WeakPolarHBondContact O-CB 3.47Å; G218-S222 PolarHBondContact O-N 3Å; G218-S222 PolarHBondContact O-OG 2.92Å; Y219-S222 PolarHBondContact O-N 3.43Å; Y219-S222 PolarHBondContact O-OG 3.25Å; S222-M225 PolarHBondContact O-N 3.38Å; S222-N226 PolarHBondContact O-N 2.93Å; S222-N226 PolarHBondContact O-OD1 2.97Å
223	K	96.1	Very high	93.3	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.017	10%	0.102	C	C	.	.	H	α-helix	trans	-74.4	-28.1	178.9	-65.1	-64.6	174.8	-170.3	0	112.6	L195 S196 H200 Y219 A220 I221 N226 V227	L195-K223 PolarHBondContact O-NZ 3.47Å; S196-K223 PolarHBondContact OG-O 3.27Å; H200-K223 HydrophobicContact CB-CB 4.19Å; Y219-K223 HydrophobicContact CD1-CG 4.13Å; Y219-K223 HydrophobicContact CD2-CG 4.33Å; Y219-K223 HydrophobicContact CE1-CG 3.82Å; Y219-K223 HydrophobicContact CE2-CD 4.24Å; Y219-K223 HydrophobicContact CE2-CG 4.03Å; Y219-K223 HydrophobicContact CG-CG 4.39Å; Y219-K223 VanDerWaalsContact CZ-CE 3.42Å; Y219-K223 WeakPolarHBondContact O-CG 3.46Å; Y219-K223 PolarHBondContact O-N 3.1Å; Y219-K223 WeakPolarHBondContact OH-CE 3.43Å; A220-K223 PolarHBondContact O-N 2.72Å; I221-K223 VanDerWaalsContact C-N 3.27Å; I221-K223 PolarHBondContact O-N 2.66Å; K223-N226 PolarHBondContact O-N 3.5Å; K223-V227 PolarHBondContact O-N 3.15Å
224	L	96.5	Very high	94.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.1	-42.3	167.5	176.4	56.1	0	0	0	111.6	H200 A203 L205 A220 I221 N226 V227 I228 N309 A312	H200-L224 HydrophobicContact CB-CB 4.14Å; A203-L224 HydrophobicContact CB-CB 4.03Å; A203-L224 HydrophobicContact CB-CD2 3.81Å; L205-L224 HydrophobicContact CD1-CD2 4.28Å; L205-L224 HydrophobicContact CD1-CG 4.33Å; L205-L224 HydrophobicContact CD2-CD2 4.35Å; L205-L224 HydrophobicContact CG-CD2 3.8Å; L205-L224 HydrophobicContact CG-CG 4.33Å; A220-L224 PolarHBondContact O-N 3.45Å; I221-L224 WeakPolarHBondContact O-CB 3.14Å; I221-L224 PolarHBondContact O-N 3.48Å; I221-L224 VanDerWaalsContact O-N 3.16Å; L224-N226 VanDerWaalsContact C-N 3.26Å; L224-N226 PolarHBondContact O-N 3.37Å; L224-V227 PolarHBondContact O-N 2.9Å; L224-V227 VanDerWaalsContact O-N 3.11Å; L224-I228 HydrophobicContact CD1-CD1 4.38Å; L224-I228 HydrophobicContact CG-CD1 4.25Å; L224-I228 PolarHBondContact O-N 2.8Å; L224-I228 VanDerWaalsContact O-N 3.07Å; L224-N309 HydrophobicContact CD1-CB 3.55Å; L224-A312 HydrophobicContact CD1-CB 4.27Å
225	M	96.6	Very high	94.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-62.6	-34.9	174.6	-64.9	178	-166.8	0	0	112.2	L164 H168 L205 L212 I221 S222 V227 I228 H229 V321	L164-M225 HydrophobicContact CD1-CE 4.18Å; L164-M225 HydrophobicContact CD1-SD 3.22Å; L164-M225 WeakPolarHBondContact CD1-SD 3.36Å; H168-M225 HydrophobicContact CB-CB 4.38Å; H168-M225 WeakPolarHBondContact ND1-CB 3.31Å; L205-M225 HydrophobicContact CD1-CE 4.43Å; L205-M225 HydrophobicContact CD1-CG 4.17Å; L205-M225 HydrophobicContact CD2-CE 3.42Å; L205-M225 VanDerWaalsContact CD2-CE 3.42Å; L205-M225 HydrophobicContact CD2-CG 4.31Å; L212-M225 HydrophobicContact CB-CE 3.52Å; L212-M225 HydrophobicContact CB-SD 4Å; L212-M225 HydrophobicContact CD1-CE 4.43Å; L212-M225 HydrophobicContact CD1-SD 3.84Å; L212-M225 HydrophobicContact CD2-CE 3.98Å; L212-M225 HydrophobicContact CD2-SD 4.16Å; L212-M225 HydrophobicContact CG-CE 4.15Å; L212-M225 HydrophobicContact CG-SD 4.21Å; I221-M225 HydrophobicContact CG2-CE 3.39Å; I221-M225 WeakPolarHBondContact O-CG 3.14Å; I221-M225 PolarHBondContact O-N 2.88Å; S222-M225 PolarHBondContact O-N 3.38Å; M225-V227 VanDerWaalsContact C-N 3.33Å; M225-V227 PolarHBondContact O-N 3.2Å; M225-I228 CarbonylContact O-C 3.37Å; M225-I228 PolarHBondContact O-N 3.4Å; M225-H229 VanDerWaalsContact O-CB 3.25Å; M225-H229 WeakPolarHBondContact O-CB 3.45Å; M225-H229 PolarHBondContact O-N 2.91Å; M225-V321 HydrophobicContact CB-CG1 4.45Å; M225-V321 HydrophobicContact CG-CG1 4.21Å
226	N	98.2	Very high	95.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-37.1	172.9	-75	10.4	0	0	0	113.4	N167 I194 L195 S222 K223 L224 A230	N167-N226 PolarHBondContact O-ND2 2.85Å; N167-N226 PolarHBondContact O-OD1 3.43Å; I194-N226 HydrophobicContact CG2-CB 3.7Å; L195-N226 PolarHBondContact O-ND2 3.46Å; S222-N226 PolarHBondContact O-N 2.93Å; S222-N226 PolarHBondContact O-OD1 2.97Å; K223-N226 PolarHBondContact O-N 3.5Å; L224-N226 VanDerWaalsContact C-N 3.26Å; L224-N226 PolarHBondContact O-N 3.37Å; N226-A230 PolarHBondContact O-N 2.99Å; N226-A230 VanDerWaalsContact O-N 3.14Å
227	V	98.3	Very high	95.9	Very high	4 Å²	4	19 Å²	19	2%	0.024	9%	0.089	C	C	.	.	H	α-helix	trans	-66.6	-45.4	174.3	-178.4	0	0	0	0	110.4	S196 H200 K223 L224 M225 H229 A230 R231 F299 C308 A312	S196-V227 VanDerWaalsContact OG-CG2 3.29Å; S196-V227 WeakPolarHBondContact OG-CG2 3.06Å; H200-V227 HydrophobicContact CB-CG2 4.31Å; K223-V227 PolarHBondContact O-N 3.15Å; L224-V227 PolarHBondContact O-N 2.9Å; L224-V227 VanDerWaalsContact O-N 3.11Å; M225-V227 VanDerWaalsContact C-N 3.33Å; M225-V227 PolarHBondContact O-N 3.2Å; V227-H229 VanDerWaalsContact C-N 3.32Å; V227-H229 PolarHBondContact O-N 3.3Å; V227-A230 PolarHBondContact O-N 2.91Å; V227-R231 PolarHBondContact O-N 3.37Å; V227-R231 VanDerWaalsContact O-N 3.14Å; V227-F299 HydrophobicContact CG1-CB 4.46Å; V227-F299 HydrophobicContact CG2-CD2 4.01Å; V227-F299 HydrophobicContact CG2-CE2 4.36Å; V227-C308 HydrophobicContact CG1-CB 3.9Å; V227-A312 HydrophobicContact CB-CB 4.29Å; V227-A312 HydrophobicContact CG1-CB 3.67Å
228	I	97.9	Very high	96.2	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-61.3	-42.2	176.8	-71	168.6	0	0	0	111.1	L205 L224 M225 A230 R231 E232 A312 I317 C318 V321	L205-I228 HydrophobicContact CD1-CD1 3.51Å; L224-I228 HydrophobicContact CD1-CD1 4.38Å; L224-I228 HydrophobicContact CG-CD1 4.25Å; L224-I228 PolarHBondContact O-N 2.8Å; L224-I228 VanDerWaalsContact O-N 3.07Å; M225-I228 CarbonylContact O-C 3.37Å; M225-I228 PolarHBondContact O-N 3.4Å; I228-A230 PolarHBondContact O-N 3.22Å; I228-R231 WeakPolarHBondContact O-CB 3.35Å; I228-R231 PolarHBondContact O-N 3.39Å; I228-R231 VanDerWaalsContact O-N 3.15Å; I228-E232 HydrophobicContact CG2-CG 4.29Å; I228-E232 PolarHBondContact O-N 3.35Å; I228-A312 HydrophobicContact CG1-CB 3.85Å; I228-I317 HydrophobicContact CD1-CG2 4.4Å; I228-C318 HydrophobicContact CG2-CB 3.9Å; I228-V321 HydrophobicContact CB-CG1 4.49Å; I228-V321 HydrophobicContact CD1-CG2 4.06Å; I228-V321 HydrophobicContact CG2-CB 3.88Å; I228-V321 HydrophobicContact CG2-CG1 3.83Å; I228-V321 HydrophobicContact CG2-CG2 4.41Å
229	H	98.3	Very high	96.4	Very high	4 Å²	4	28 Å²	28	2%	0.019	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-44.7	-179.5	-174.4	-155.4	0	0	0	111.6	F172 I194 M225 V227 R231 E232 I233 W322	F172-H229 AromaticContact CD2-CD2 3.59Å; F172-H229 AromaticContact CD2-CE1 3.96Å; F172-H229 AromaticContact CD2-NE2 3.45Å; F172-H229 WeakPolarHBondContact CD2-NE2 3.38Å; F172-H229 AromaticContact CE2-CD2 3.97Å; F172-H229 AromaticContact CG-NE2 4Å; I194-H229 HydrophobicContact CD1-CB 4.22Å; I194-H229 WeakPolarHBondContact CD1-ND1 3.24Å; M225-H229 VanDerWaalsContact O-CB 3.25Å; M225-H229 WeakPolarHBondContact O-CB 3.45Å; M225-H229 PolarHBondContact O-N 2.91Å; V227-H229 VanDerWaalsContact C-N 3.32Å; V227-H229 PolarHBondContact O-N 3.3Å; H229-R231 VanDerWaalsContact C-N 3.32Å; H229-R231 PolarHBondContact O-N 3.41Å; H229-E232 PolarHBondContact O-N 3.23Å; H229-I233 VanDerWaalsContact NE2-CD1 3.33Å; H229-I233 WeakPolarHBondContact NE2-CD1 3.34Å; H229-I233 WeakPolarHBondContact O-CG1 3.43Å; H229-I233 PolarHBondContact O-N 2.92Å; H229-W322 AromaticContact CD2-CZ3 3.84Å
230	A	98.6	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-43	173.5	0	0	0	0	0	111.2	I194 N226 V227 I228 E232 C234 S244	I194-A230 HydrophobicContact CD1-CB 4.13Å; I194-A230 HydrophobicContact CG1-CB 4.43Å; N226-A230 PolarHBondContact O-N 2.99Å; N226-A230 VanDerWaalsContact O-N 3.14Å; V227-A230 PolarHBondContact O-N 2.91Å; I228-A230 PolarHBondContact O-N 3.22Å; A230-E232 PolarHBondContact O-N 3.08Å; A230-C234 WeakPolarHBondContact O-CB 3.39Å; A230-C234 PolarHBondContact O-N 3.01Å; A230-S244 PolarHBondContact O-OG 3.41Å
231	R	98.1	Very high	96.8	Very high	54 Å²	54	32 Å²	32	20%	0.204	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-44.4	176.8	-172.1	179.8	179.3	-133.5	-4	112.6	V227 I228 H229 C234 K235 A312 L313 D315 C318	V227-R231 PolarHBondContact O-N 3.37Å; V227-R231 VanDerWaalsContact O-N 3.14Å; I228-R231 WeakPolarHBondContact O-CB 3.35Å; I228-R231 PolarHBondContact O-N 3.39Å; I228-R231 VanDerWaalsContact O-N 3.15Å; H229-R231 VanDerWaalsContact C-N 3.32Å; H229-R231 PolarHBondContact O-N 3.41Å; R231-C234 PolarHBondContact O-N 3.09Å; R231-K235 WeakPolarHBondContact O-CB 3.37Å; R231-K235 PolarHBondContact O-N 2.99Å; R231-A312 WeakPolarHBondContact CD-O 3.49Å; R231-A312 PolarHBondContact NE-O 3.47Å; R231-A312 PolarHBondContact NH1-O 2.85Å; R231-L313 VanDerWaalsContact NH1-CA 3.34Å; R231-L313 PolarHBondContact NH1-O 3.19Å; R231-L313 PolarHBondContact NH2-O 3.26Å; R231-D315 IonicContact CZ-OD1 2.71Å; R231-D315 IonicContact NH1-OD1 3.35Å; R231-D315 PolarHBondContact NH1-OD1 3.09Å; R231-D315 IonicContact NH2-OD1 3.05Å; R231-D315 PolarHBondContact NH2-OD1 3.26Å; R231-C318 PolarHBondContact NH1-SG 3.24Å
232	E	98.3	Very high	97	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-69.8	-39.3	-178.5	-76.5	-70.1	122.3	0	0	113	I228 H229 A230 C234 K235 R236 C318 W322	I228-E232 HydrophobicContact CG2-CG 4.29Å; I228-E232 PolarHBondContact O-N 3.35Å; H229-E232 PolarHBondContact O-N 3.23Å; A230-E232 PolarHBondContact O-N 3.08Å; E232-C234 VanDerWaalsContact C-N 3.28Å; E232-C234 PolarHBondContact O-N 3.29Å; E232-K235 PolarHBondContact O-N 3.42Å; E232-R236 VanDerWaalsContact O-CB 3.31Å; E232-R236 WeakPolarHBondContact O-CB 3.18Å; E232-R236 WeakPolarHBondContact O-CG 3.41Å; E232-R236 PolarHBondContact O-N 3.16Å; E232-R236 IonicContact OE2-CZ 3.27Å; E232-R236 VanDerWaalsContact OE2-CZ 3.27Å; E232-R236 IonicContact OE2-NE 2.81Å; E232-R236 PolarHBondContact OE2-NE 3.24Å; E232-R236 IonicContact OE2-NH2 2.82Å; E232-R236 PolarHBondContact OE2-NH2 3.38Å; E232-C318 HydrophobicContact CG-CB 3.89Å; E232-C318 WeakPolarHBondContact OE1-CB 3.46Å; E232-W322 HydrophobicContact CB-CD2 4.33Å; E232-W322 HydrophobicContact CB-CE3 3.43Å; E232-W322 VanDerWaalsContact CB-CE3 3.43Å; E232-W322 HydrophobicContact CB-CZ3 3.9Å; E232-W322 HydrophobicContact CG-CB 4.35Å; E232-W322 HydrophobicContact CG-CE3 4.23Å
233	I	98.3	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.1	-49.5	171.9	-74.7	161.2	0	0	0	109.3	T175 V192 I194 H229 K235 R236 W237 I242 S244 W322	T175-I233 HydrophobicContact CG2-CD1 3.78Å; V192-I233 HydrophobicContact CG1-CD1 4.18Å; I194-I233 HydrophobicContact CD1-CD1 3.76Å; H229-I233 VanDerWaalsContact NE2-CD1 3.33Å; H229-I233 WeakPolarHBondContact NE2-CD1 3.34Å; H229-I233 WeakPolarHBondContact O-CG1 3.43Å; H229-I233 PolarHBondContact O-N 2.92Å; I233-K235 PolarHBondContact O-N 2.91Å; I233-R236 PolarHBondContact O-N 2.7Å; I233-W237 HydrophobicContact CB-CE3 4.44Å; I233-W237 HydrophobicContact CG1-CE3 4.37Å; I233-W237 HydrophobicContact CG1-CH2 4.45Å; I233-W237 HydrophobicContact CG1-CZ3 4.2Å; I233-W237 HydrophobicContact CG2-CD2 4.09Å; I233-W237 HydrophobicContact CG2-CE3 3.53Å; I233-W237 HydrophobicContact CG2-CZ3 4.04Å; I233-W237 WeakPolarHBondContact O-CB 3.22Å; I233-W237 PolarHBondContact O-N 3.46Å; I233-I242 HydrophobicContact CG2-CG2 4.24Å; I233-S244 VanDerWaalsContact CB-OG 3.28Å; I233-S244 WeakPolarHBondContact CB-OG 3.49Å; I233-S244 VanDerWaalsContact CG2-OG 3.24Å; I233-S244 WeakPolarHBondContact CG2-OG 3.25Å; I233-W322 HydrophobicContact CG1-CH2 4.39Å; I233-W322 HydrophobicContact CG1-CZ3 4.06Å
234	C	96.6	Very high	97.2	Very high	11 Å²	11	33 Å²	33	7%	0.074	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-43.5	-179.5	-169.1	0	0	0	0	112.4	A230 R231 E232 R236 S238 S244 P296	A230-C234 WeakPolarHBondContact O-CB 3.39Å; A230-C234 PolarHBondContact O-N 3.01Å; R231-C234 PolarHBondContact O-N 3.09Å; E232-C234 VanDerWaalsContact C-N 3.28Å; E232-C234 PolarHBondContact O-N 3.29Å; C234-R236 VanDerWaalsContact C-N 3.28Å; C234-R236 PolarHBondContact O-N 3.42Å; C234-S238 WeakPolarHBondContact O-CB 3.4Å; C234-S238 PolarHBondContact O-N 2.8Å; C234-S238 PolarHBondContact O-OG 2.86Å; C234-S244 WeakPolarHBondContact CB-OG 3.48Å; C234-S244 PolarHBondContact N-OG 3.22Å; C234-P296 VanDerWaalsContact SG-C 3.57Å; C234-P296 WeakPolarHBondContact SG-CB 3.5Å
235	K	97.2	Very high	97.3	Very high	112 Å²	112	33.1 Å²	33.1	49%	0.487	17%	0.165	S	C	.	.	H	α-helix	trans	-62.2	-36.6	177.7	-176.9	173.9	178.5	175.5	0	112	R231 E232 I233 D315	R231-K235 WeakPolarHBondContact O-CB 3.37Å; R231-K235 PolarHBondContact O-N 2.99Å; E232-K235 PolarHBondContact O-N 3.42Å; I233-K235 PolarHBondContact O-N 2.91Å; K235-D315 IonicContact NZ-OD2 2.74Å; K235-D315 PolarHBondContact NZ-OD2 3.4Å
236	R	97.9	Very high	97.4	Very high	85 Å²	85	33.1 Å²	33.1	32%	0.321	17%	0.165	S	C	.	.	H	α-helix	trans	-91.4	-31	-173.2	-67	170.2	-176.5	-104.6	-3.5	114	E232 I233 C234 N319 W322	E232-R236 VanDerWaalsContact O-CB 3.31Å; E232-R236 WeakPolarHBondContact O-CB 3.18Å; E232-R236 WeakPolarHBondContact O-CG 3.41Å; E232-R236 PolarHBondContact O-N 3.16Å; E232-R236 IonicContact OE2-CZ 3.27Å; E232-R236 VanDerWaalsContact OE2-CZ 3.27Å; E232-R236 IonicContact OE2-NE 2.81Å; E232-R236 PolarHBondContact OE2-NE 3.24Å; E232-R236 IonicContact OE2-NH2 2.82Å; E232-R236 PolarHBondContact OE2-NH2 3.38Å; I233-R236 PolarHBondContact O-N 2.7Å; C234-R236 VanDerWaalsContact C-N 3.28Å; C234-R236 PolarHBondContact O-N 3.42Å; R236-N319 PolarHBondContact NH2-OD1 2.97Å; R236-W322 VanDerWaalsContact NH1-CD1 3.27Å; R236-W322 VanDerWaalsContact NH1-NE1 3.18Å
237	W	97.5	Very high	97.4	Very high	18 Å²	18	33.1 Å²	33.1	7%	0.068	17%	0.165	C	C	.	.	H	α-helix	trans	-121	9.2	-168.5	-54.4	-15.8	0	0	0	113.6	T175 K179 L182 I233 E239 D240 I242 W322	T175-W237 HydrophobicContact CG2-CH2 3.87Å; T175-W237 HydrophobicContact CG2-CZ3 3.62Å; K179-W237 HydrophobicContact CB-CH2 4.26Å; K179-W237 HydrophobicContact CB-CZ3 4.39Å; K179-W237 HydrophobicContact CD-CD2 4.1Å; K179-W237 HydrophobicContact CD-CH2 4.45Å; K179-W237 HydrophobicContact CD-CZ2 4.01Å; K179-W237 HydrophobicContact CG-CD2 4.22Å; K179-W237 HydrophobicContact CG-CE3 4.13Å; K179-W237 HydrophobicContact CG-CH2 4.23Å; K179-W237 HydrophobicContact CG-CZ2 4.29Å; K179-W237 HydrophobicContact CG-CZ3 4.14Å; L182-W237 HydrophobicContact CD1-CZ3 4.31Å; I233-W237 HydrophobicContact CB-CE3 4.44Å; I233-W237 HydrophobicContact CG1-CE3 4.37Å; I233-W237 HydrophobicContact CG1-CH2 4.45Å; I233-W237 HydrophobicContact CG1-CZ3 4.2Å; I233-W237 HydrophobicContact CG2-CD2 4.09Å; I233-W237 HydrophobicContact CG2-CE3 3.53Å; I233-W237 HydrophobicContact CG2-CZ3 4.04Å; I233-W237 WeakPolarHBondContact O-CB 3.22Å; I233-W237 PolarHBondContact O-N 3.46Å; W237-E239 VanDerWaalsContact C-N 3.29Å; W237-E239 PolarHBondContact O-N 3.14Å; W237-D240 WeakPolarHBondContact O-CB 3.4Å; W237-D240 PolarHBondContact O-N 3.46Å; W237-D240 VanDerWaalsContact O-N 3.11Å; W237-I242 CarbonylContact C-O 3.52Å; W237-I242 HydrophobicContact CB-CB 3.97Å; W237-I242 HydrophobicContact CB-CD1 4.16Å; W237-I242 HydrophobicContact CB-CG1 4.48Å; W237-I242 HydrophobicContact CE3-CD1 3.95Å; W237-I242 HydrophobicContact CE3-CG2 4.29Å; W237-I242 WeakPolarHBondContact O-CB 3.33Å; W237-I242 PolarHBondContact O-N 3.19Å; W237-I242 VanDerWaalsContact O-N 3.11Å; W237-W322 AromaticContact CZ2-CH2 3.88Å; W237-W322 HydrophobicContact CZ2-CH2 3.88Å; W237-W322 HydrophobicContact CZ2-CZ2 4.37Å
238	S	94.5	Very high	97.1	Very high	62 Å²	62	33.2 Å²	33.2	43%	0.434	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-35.8	175.3	43.2	0	0	0	0	112.8	C234 D240 G241	C234-S238 WeakPolarHBondContact O-CB 3.4Å; C234-S238 PolarHBondContact O-N 2.8Å; C234-S238 PolarHBondContact O-OG 2.86Å; S238-D240 PolarHBondContact O-N 3.32Å; S238-G241 PolarHBondContact O-N 3.37Å
239	E	94.2	Very high	96.7	Very high	192 Å²	192	33.8 Å²	33.8	90%	0.897	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.1	174.2	-64.8	-177.3	174.3	0	0	112.6	W237 G241	W237-E239 VanDerWaalsContact C-N 3.29Å; W237-E239 PolarHBondContact O-N 3.14Å; E239-G241 PolarHBondContact O-N 3.45Å
240	D	95	Very high	95.9	Very high	88 Å²	88	34 Å²	34	47%	0.471	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	4.3	173.9	-61.4	-48.4	0	0	0	112.4	K179 W237 S238 I242	K179-D240 WeakPolarHBondContact CE-OD2 3.26Å; K179-D240 IonicContact NZ-OD2 2.73Å; K179-D240 PolarHBondContact NZ-OD2 2.95Å; W237-D240 WeakPolarHBondContact O-CB 3.4Å; W237-D240 PolarHBondContact O-N 3.46Å; W237-D240 VanDerWaalsContact O-N 3.11Å; S238-D240 PolarHBondContact O-N 3.32Å; D240-I242 HydrophobicContact CB-CD1 4.33Å; D240-I242 HydrophobicContact CB-CG1 4.32Å
241	G	95.2	Very high	94.5	Very high	24 Å²	24	37.5 Å²	37.5	25%	0.247	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	23.9	-176	0	0	0	0	0	113.8	P189 C190 S238 E239	P189-G241 CarbonylContact C-O 2.96Å; P189-G241 WeakPolarHBondContact CA-O 3.09Å; P189-G241 WeakPolarHBondContact CB-O 3.38Å; C190-G241 PolarHBondContact N-O 3.15Å; S238-G241 PolarHBondContact O-N 3.37Å; E239-G241 PolarHBondContact O-N 3.45Å
242	I	97.8	Very high	92.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.9	178.3	-53.3	174.9	0	0	0	110	K179 L182 C190 V192 I233 W237 D240	K179-I242 HydrophobicContact CG-CD1 4.26Å; L182-I242 HydrophobicContact CB-CD1 3.82Å; L182-I242 HydrophobicContact CB-CG1 4.46Å; C190-I242 HydrophobicContact CB-CB 4.47Å; C190-I242 HydrophobicContact CB-CG1 4.09Å; C190-I242 HydrophobicContact CB-CG2 4.44Å; V192-I242 HydrophobicContact CG2-CG2 3.89Å; I233-I242 HydrophobicContact CG2-CG2 4.24Å; W237-I242 CarbonylContact C-O 3.52Å; W237-I242 HydrophobicContact CB-CB 3.97Å; W237-I242 HydrophobicContact CB-CD1 4.16Å; W237-I242 HydrophobicContact CB-CG1 4.48Å; W237-I242 HydrophobicContact CE3-CD1 3.95Å; W237-I242 HydrophobicContact CE3-CG2 4.29Å; W237-I242 WeakPolarHBondContact O-CB 3.33Å; W237-I242 PolarHBondContact O-N 3.19Å; W237-I242 VanDerWaalsContact O-N 3.11Å; D240-I242 HydrophobicContact CB-CD1 4.33Å; D240-I242 HydrophobicContact CB-CG1 4.32Å
243	I	97.8	Very high	90.8	Very high	33 Å²	33	39.6 Å²	39.6	17%	0.169	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.5	170.6	-62.5	178.2	0	0	0	108.6	P189 C190 R191 V192 P296	P189-I243 HydrophobicContact CB-CD1 3.72Å; P189-I243 HydrophobicContact CB-CG1 3.86Å; P189-I243 HydrophobicContact CG-CD1 3.39Å; P189-I243 HydrophobicContact CG-CG1 4.09Å; C190-I243 PolarHBondContact O-N 3.26Å; C190-I243 VanDerWaalsContact O-O 3.13Å; R191-I243 CarbonylContact C-O 3.57Å; R191-I243 WeakPolarHBondContact CA-O 3.37Å; V192-I243 PolarHBondContact N-O 2.81Å; I243-P296 HydrophobicContact CD1-CG 4.24Å; I243-P296 HydrophobicContact CG2-CB 3.96Å; I243-P296 HydrophobicContact CG2-CG 4.34Å
244	S	98.5	Very high	88.5	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.6	173.4	52.5	0	0	0	0	111.6	V192 A230 I233 C234 G297	V192-S244 CarbonylContact O-C 3.59Å; V192-S244 WeakPolarHBondContact O-CA 3.46Å; V192-S244 VanDerWaalsContact O-CB 3.25Å; V192-S244 WeakPolarHBondContact O-CB 3.49Å; A230-S244 PolarHBondContact O-OG 3.41Å; I233-S244 VanDerWaalsContact CB-OG 3.28Å; I233-S244 WeakPolarHBondContact CB-OG 3.49Å; I233-S244 VanDerWaalsContact CG2-OG 3.24Å; I233-S244 WeakPolarHBondContact CG2-OG 3.25Å; C234-S244 WeakPolarHBondContact CB-OG 3.48Å; C234-S244 PolarHBondContact N-OG 3.22Å; S244-G297 VanDerWaalsContact O-CA 3.23Å; S244-G297 WeakPolarHBondContact O-CA 3.38Å; S244-G297 PolarHBondContact O-N 2.64Å
245	V	98.6	Very high	86.1	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	154.5	-179.4	-65.2	0	0	0	0	109.4	V192 I193 I194 C288 L294 A298 Y300	V192-V245 PolarHBondContact O-N 2.93Å; I193-V245 HydrophobicContact CG1-CG2 4.11Å; I193-V245 HydrophobicContact CG2-CG2 4.47Å; I194-V245 PolarHBondContact N-O 2.88Å; V245-C288 HydrophobicContact CG2-CB 3.94Å; V245-L294 HydrophobicContact CG1-CB 4.4Å; V245-A298 WeakPolarHBondContact CA-O 3.34Å; V245-Y300 HydrophobicContact CB-CD2 4.09Å; V245-Y300 HydrophobicContact CB-CE2 4.27Å; V245-Y300 HydrophobicContact CG1-CD2 4.18Å; V245-Y300 HydrophobicContact CG1-CE2 3.83Å
246	S	98.5	Very high	83.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.4	173.1	54.2	0	0	0	0	110.5	I194 A298 F299 Y300	I194-S246 CarbonylContact O-C 3.6Å; I194-S246 VanDerWaalsContact O-CA 3.25Å; I194-S246 WeakPolarHBondContact O-CA 3.28Å; S246-A298 PolarHBondContact N-O 2.8Å; S246-F299 CarbonylContact O-C 3.59Å; S246-F299 WeakPolarHBondContact O-CA 3.44Å; S246-F299 WeakPolarHBondContact OG-CA 3.21Å; S246-F299 WeakPolarHBondContact OG-CD2 2.86Å; S246-Y300 PolarHBondContact O-N 3.06Å
247	V	97.7	Very high	81.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.4	-172.7	170.3	0	0	0	0	110.5	I193 I194 L195 S196 T284 C288 Y300	I193-V247 HydrophobicContact CG2-CB 4.41Å; I193-V247 HydrophobicContact CG2-CG2 3.69Å; I194-V247 PolarHBondContact O-N 3.43Å; L195-V247 HydrophobicContact CD1-CB 4.28Å; L195-V247 HydrophobicContact CD1-CG1 4.08Å; S196-V247 CarbonylContact C-O 3.59Å; S196-V247 WeakPolarHBondContact CA-O 3.24Å; S196-V247 PolarHBondContact N-O 3.29Å; V247-T284 HydrophobicContact CG1-CG2 3.64Å; V247-T284 HydrophobicContact CG2-CG2 4.34Å; V247-C288 HydrophobicContact CG2-CB 4.11Å; V247-Y300 WeakPolarHBondContact CA-O 3.36Å
248	H	93.6	Very high	79.1	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.028	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.6	161.7	168.3	54.2	0	0	0	110.6	S197 L198 G250 F299 Y300	S197-H248 WeakPolarHBondContact CA-ND1 3.11Å; L198-H248 WeakPolarHBondContact CD1-NE2 3.43Å; L198-H248 VanDerWaalsContact CG-CD2 3.43Å; L198-H248 WeakPolarHBondContact CG-CD2 3.23Å; L198-H248 WeakPolarHBondContact CG-NE2 3.49Å; L198-H248 PolarHBondContact N-ND1 3.12Å; H248-G250 VanDerWaalsContact C-N 3.25Å; H248-G250 PolarHBondContact CD2-N 3.43Å; H248-G250 WeakPolarHBondContact CE1-CA 3.48Å; H248-G250 PolarHBondContact CE1-N 3.03Å; H248-G250 PolarHBondContact CE1-O 3.11Å; H248-G250 VanDerWaalsContact CE1-O 3.26Å; H248-G250 PolarHBondContact ND1-N 3.18Å; H248-G250 WeakPolarHBondContact NE2-CA 3.33Å; H248-G250 PolarHBondContact NE2-N 3.4Å; H248-G250 VanDerWaalsContact NE2-N 3.14Å; H248-G250 PolarHBondContact O-N 3.21Å; H248-F299 HydrophobicContact CB-CE2 3.79Å; H248-F299 HydrophobicContact CB-CZ 3.46Å; H248-F299 VanDerWaalsContact CB-CZ 3.46Å; H248-Y300 PolarHBondContact N-O 3.29Å
249	P	89.5	Confident	76.9	Confident	13 Å²	13	50 Å²	50	8%	0.084	26%	0.255	C	S	.	.			trans	-78.7	2.2	-176.8	31.7	-37.3	0	0	0	114.6	I59 L195 S196 V252 G281	I59-P249 HydrophobicContact CD1-CB 3.76Å; I59-P249 HydrophobicContact CD1-CG 3.83Å; L195-P249 HydrophobicContact CD1-CB 4.27Å; L195-P249 HydrophobicContact CD1-CG 4.18Å; S196-P249 WeakPolarHBondContact O-CD 3.25Å; P249-V252 HydrophobicContact CB-CG2 4.31Å; P249-V252 WeakPolarHBondContact O-CG2 3.32Å; P249-G281 VanDerWaalsContact CB-O 3.25Å; P249-G281 WeakPolarHBondContact CB-O 3.29Å; P249-G281 VanDerWaalsContact O-CA 3.26Å; P249-G281 WeakPolarHBondContact O-CA 3.25Å
250	G	80.3	Confident	74.7	Confident	9 Å²	9	42.8 Å²	42.8	9%	0.093	23%	0.225	C	C	.	.			trans	86.6	176.5	-167.9	0	0	0	0	0	113.1	H248 V252	H248-G250 VanDerWaalsContact C-N 3.25Å; H248-G250 PolarHBondContact CD2-N 3.43Å; H248-G250 WeakPolarHBondContact CE1-CA 3.48Å; H248-G250 PolarHBondContact CE1-N 3.03Å; H248-G250 PolarHBondContact CE1-O 3.11Å; H248-G250 VanDerWaalsContact CE1-O 3.26Å; H248-G250 PolarHBondContact ND1-N 3.18Å; H248-G250 WeakPolarHBondContact NE2-CA 3.33Å; H248-G250 PolarHBondContact NE2-N 3.4Å; H248-G250 VanDerWaalsContact NE2-N 3.14Å; H248-G250 PolarHBondContact O-N 3.21Å; G250-V252 PolarHBondContact O-N 3.43Å; G250-V252 VanDerWaalsContact O-N 3.15Å
251	L	70.3	Confident	72.4	Confident	74 Å²	74	47.3 Å²	47.3	39%	0.387	24%	0.241	S	C	.	.	S	Bend	trans	-80.4	89.9	170.8	-175.2	65.3	0	0	0	108.8	F34 F257 T275 K276	F34-L251 HydrophobicContact CE1-CD2 4.1Å; L251-F257 HydrophobicContact CD1-CE2 4.1Å; L251-F257 HydrophobicContact CD1-CZ 3.97Å; L251-T275 HydrophobicContact CD2-CG2 3.66Å; L251-T275 HydrophobicContact CG-CG2 3.75Å; L251-T275 CarbonylContact O-C 3.57Å; L251-T275 WeakPolarHBondContact O-CA 3.38Å; L251-T275 VanDerWaalsContact O-CB 3.24Å; L251-T275 WeakPolarHBondContact O-CB 3.12Å; L251-K276 PolarHBondContact O-N 3.49Å
252	V	60.4	Low	70.7	Confident	6 Å²	6	49.1 Å²	49.1	4%	0.036	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-88.6	145.7	-176.5	-178.8	0	0	0	0	111.1	I59 P249 G250 T254 K276	I59-V252 HydrophobicContact CD1-CB 4.07Å; I59-V252 HydrophobicContact CD1-CG1 4.2Å; I59-V252 HydrophobicContact CD1-CG2 3.82Å; I59-V252 HydrophobicContact CG1-CB 4.38Å; I59-V252 HydrophobicContact CG1-CG1 3.98Å; I59-V252 HydrophobicContact CG1-CG2 4.14Å; P249-V252 HydrophobicContact CB-CG2 4.31Å; P249-V252 WeakPolarHBondContact O-CG2 3.32Å; G250-V252 PolarHBondContact O-N 3.43Å; G250-V252 VanDerWaalsContact O-N 3.15Å; V252-T254 HydrophobicContact CB-CG2 4Å; V252-T254 HydrophobicContact CG1-CG2 3.8Å; V252-T254 PolarHBondContact O-N 3.03Å; V252-K276 CarbonylContact C-O 3.46Å; V252-K276 WeakPolarHBondContact CA-O 3.29Å; V252-K276 HydrophobicContact CB-CB 4.48Å; V252-K276 HydrophobicContact CG2-CB 3.99Å
253	R	57.6	Low	68.3	Low	95 Å²	95	56.7 Å²	56.7	36%	0.358	29%	0.292	S	S	.	.			trans	-62.4	77.2	165.8	-68.9	-178.1	-171.6	171.5	16	110.3	R272 W273 T275 K276	R253-R272 VanDerWaalsContact CZ-O 3.31Å; R253-R272 PolarHBondContact NE-O 3.18Å; R253-R272 PolarHBondContact NH2-O 3.01Å; R253-W273 VanDerWaalsContact NH2-CA 3.32Å; R253-T275 WeakPolarHBondContact CG-OG1 3.34Å; R253-K276 WeakPolarHBondContact CG-O 3.43Å; R253-K276 PolarHBondContact N-O 2.98Å
254	T	49.1	Very low	66.3	Low	32 Å²	32	62.1 Å²	62.1	20%	0.196	31%	0.311	C	S	.	.			trans	-104.3	162.7	173.3	59.2	0	0	0	0	110.7	I59 V252 I256	I59-T254 HydrophobicContact CD1-CG2 4.36Å; V252-T254 HydrophobicContact CB-CG2 4Å; V252-T254 HydrophobicContact CG1-CG2 3.8Å; V252-T254 PolarHBondContact O-N 3.03Å; T254-I256 PolarHBondContact O-N 3.3Å; T254-I256 WeakPolarHBondContact OG1-CB 3.18Å; T254-I256 VanDerWaalsContact OG1-CD1 3.31Å; T254-I256 WeakPolarHBondContact OG1-CD1 3.15Å; T254-I256 VanDerWaalsContact OG1-CG1 3.27Å; T254-I256 WeakPolarHBondContact OG1-CG1 3.48Å
255	S	47	Very low	64.5	Low	75 Å²	75	67.3 Å²	67.3	52%	0.524	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-59.4	-6.1	171.4	49	0	0	0	0	114.1	F257 R258	S255-F257 PolarHBondContact O-N 3.37Å; S255-R258 VanDerWaalsContact O-CB 3.28Å; S255-R258 WeakPolarHBondContact O-CB 3.26Å; S255-R258 WeakPolarHBondContact O-CG 3.34Å; S255-R258 PolarHBondContact O-N 3.16Å
256	I	48.7	Very low	62.5	Low	56 Å²	56	72.4 Å²	72.4	29%	0.287	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-53.2	-38.5	177.7	-69.3	175.9	0	0	0	111.2	D149 T254 R258	D149-I256 HydrophobicContact CB-CD1 4.3Å; D149-I256 HydrophobicContact CB-CG1 4.23Å; D149-I256 HydrophobicContact CB-CG2 3.87Å; D149-I256 WeakPolarHBondContact OD2-CG2 3.34Å; T254-I256 PolarHBondContact O-N 3.3Å; T254-I256 WeakPolarHBondContact OG1-CB 3.18Å; T254-I256 VanDerWaalsContact OG1-CD1 3.31Å; T254-I256 WeakPolarHBondContact OG1-CD1 3.15Å; T254-I256 VanDerWaalsContact OG1-CG1 3.27Å; T254-I256 WeakPolarHBondContact OG1-CG1 3.48Å; I256-R258 VanDerWaalsContact C-N 3.31Å; I256-R258 PolarHBondContact O-N 2.99Å
257	F	49.4	Very low	60.6	Low	64 Å²	64	75.9 Å²	75.9	28%	0.281	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-81.3	-0.3	179.2	-64.7	-75.9	0	0	0	114.8	L251 S255 S259 C260 Y268	L251-F257 HydrophobicContact CD1-CE2 4.1Å; L251-F257 HydrophobicContact CD1-CZ 3.97Å; S255-F257 PolarHBondContact O-N 3.37Å; F257-S259 PolarHBondContact O-N 3.07Å; F257-S259 VanDerWaalsContact O-N 3.15Å; F257-C260 WeakPolarHBondContact O-CB 3.18Å; F257-C260 PolarHBondContact O-N 3.11Å; F257-C260 VanDerWaalsContact O-N 3.1Å; F257-Y268 HydrophobicContact CB-CD1 4.36Å; F257-Y268 HydrophobicContact CB-CD2 3.56Å; F257-Y268 HydrophobicContact CB-CE1 4.32Å; F257-Y268 HydrophobicContact CB-CE2 3.52Å; F257-Y268 HydrophobicContact CB-CG 3.99Å; F257-Y268 HydrophobicContact CD1-CD2 4.2Å; F257-Y268 AromaticContact CD2-CD2 3.93Å; F257-Y268 HydrophobicContact CD2-CD2 3.93Å; F257-Y268 AromaticContact CD2-CE2 3.62Å; F257-Y268 HydrophobicContact CD2-CE2 3.62Å; F257-Y268 AromaticContact CG-CD2 3.63Å; F257-Y268 HydrophobicContact CG-CD2 3.63Å; F257-Y268 AromaticContact CG-CE2 3.69Å; F257-Y268 HydrophobicContact CG-CE2 3.69Å; F257-Y268 HydrophobicContact CG-CG 4.43Å
258	R	48.6	Very low	58.7	Low	213 Å²	213	78.4 Å²	78.4	80%	0.804	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-60	-25.1	174.7	-75.5	-175.7	-177.5	174.8	1.2	112.2	S255 I256	S255-R258 VanDerWaalsContact O-CB 3.28Å; S255-R258 WeakPolarHBondContact O-CB 3.26Å; S255-R258 WeakPolarHBondContact O-CG 3.34Å; S255-R258 PolarHBondContact O-N 3.16Å; I256-R258 VanDerWaalsContact C-N 3.31Å; I256-R258 PolarHBondContact O-N 2.99Å
259	S	48.4	Very low	57.1	Low	67 Å²	67	84.3 Å²	84.3	47%	0.469	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-81.3	-12.2	179.9	-55.8	0	0	0	0	113.8	F257 K261	F257-S259 PolarHBondContact O-N 3.07Å; F257-S259 VanDerWaalsContact O-N 3.15Å; S259-K261 PolarHBondContact O-N 3.48Å; S259-K261 VanDerWaalsContact O-N 3.08Å
260	C	47.1	Very low	55.7	Low	40 Å²	40	88.3 Å²	88.3	27%	0.27	44%	0.435	S	S	.	.			trans	-70.4	105.1	175.7	-69.4	0	0	0	0	109.8	F257 F265	F257-C260 WeakPolarHBondContact O-CB 3.18Å; F257-C260 PolarHBondContact O-N 3.11Å; F257-C260 VanDerWaalsContact O-N 3.1Å; C260-F265 WeakPolarHBondContact O-CB 3.44Å
261	K	47.3	Very low	54.7	Low	183 Å²	183	92.8 Å²	92.8	80%	0.796	45%	0.452	S	S	*	.			trans	-92.9	156.8	174.7	-65	-178.5	-179	177.5	0	111.5	S259	S259-K261 PolarHBondContact O-N 3.48Å; S259-K261 VanDerWaalsContact O-N 3.08Å
262	G	58.5	Low	54.3	Low	61 Å²	61	93 Å²	93	63%	0.629	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	-140.8	172.9	0	0	0	0	0	114.3	Y264 F265	G262-Y264 PolarHBondContact O-N 3.14Å; G262-Y264 VanDerWaalsContact O-N 3.14Å; G262-F265 VanDerWaalsContact O-CB 3.25Å; G262-F265 WeakPolarHBondContact O-CB 3.23Å; G262-F265 PolarHBondContact O-N 3.36Å
263	K	48.2	Very low	54.3	Low	160 Å²	160	96.6 Å²	96.6	70%	0.696	46%	0.46	S	S	*	.	H	α-helix	trans	-56.6	-29.4	-176.6	63.3	-177.1	179.4	-179.6	0	114.4	F265 L266 V267	K263-F265 VanDerWaalsContact C-N 3.3Å; K263-F265 PolarHBondContact O-N 3.49Å; K263-L266 PolarHBondContact O-N 2.74Å; K263-V267 WeakPolarHBondContact O-CG2 3.47Å; K263-V267 PolarHBondContact O-N 2.89Å; K263-V267 VanDerWaalsContact O-N 3.17Å
264	Y	56	Low	54.6	Low	147 Å²	147	92.7 Å²	92.7	58%	0.576	45%	0.446	S	S	*	.	H	α-helix	trans	-69	-27.6	176.6	-62.1	-70.5	0	0	0	112.8	G262 Y268	G262-Y264 PolarHBondContact O-N 3.14Å; G262-Y264 VanDerWaalsContact O-N 3.14Å; Y264-Y268 WeakPolarHBondContact O-CB 3.36Å; Y264-Y268 PolarHBondContact O-N 2.7Å
265	F	59.9	Low	55.6	Low	111 Å²	111	91.6 Å²	91.6	49%	0.487	44%	0.44	S	S	.	.	H	α-helix	trans	-65.6	-41.9	172.7	-177.3	-99.7	0	0	0	111.6	C260 G262 K263 Y268 Y269	C260-F265 WeakPolarHBondContact O-CB 3.44Å; G262-F265 VanDerWaalsContact O-CB 3.25Å; G262-F265 WeakPolarHBondContact O-CB 3.23Å; G262-F265 PolarHBondContact O-N 3.36Å; K263-F265 VanDerWaalsContact C-N 3.3Å; K263-F265 PolarHBondContact O-N 3.49Å; F265-Y268 PolarHBondContact O-N 3.08Å; F265-Y269 WeakPolarHBondContact O-CB 3.4Å; F265-Y269 PolarHBondContact O-N 3.33Å
266	L	55.8	Low	57.1	Low	108 Å²	108	88.2 Å²	88.2	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-67.2	-44	178.4	-175.9	64.2	0	0	0	111.3	K263 Y269 L270	K263-L266 PolarHBondContact O-N 2.74Å; L266-Y269 PolarHBondContact O-N 3.22Å; L266-L270 HydrophobicContact CD1-CD1 4.41Å; L266-L270 HydrophobicContact CD1-CG 4.48Å; L266-L270 HydrophobicContact CG-CD1 4.09Å; L266-L270 WeakPolarHBondContact O-CB 3.44Å; L266-L270 VanDerWaalsContact O-CG 3.31Å; L266-L270 WeakPolarHBondContact O-CG 3.32Å; L266-L270 PolarHBondContact O-N 3.4Å
267	V	58.3	Low	58.9	Low	73 Å²	73	88 Å²	88	44%	0.442	42%	0.417	S	S	.	.	H	α-helix	trans	-57.3	-49.8	172.4	173.8	0	0	0	0	109.8	K263 Y269 L270 F271	K263-V267 WeakPolarHBondContact O-CG2 3.47Å; K263-V267 PolarHBondContact O-N 2.89Å; K263-V267 VanDerWaalsContact O-N 3.17Å; V267-Y269 PolarHBondContact O-N 3.04Å; V267-L270 PolarHBondContact O-N 3.44Å; V267-F271 HydrophobicContact CB-CD2 4.47Å; V267-F271 HydrophobicContact CG1-CD2 3.59Å; V267-F271 HydrophobicContact CG1-CE2 3.9Å; V267-F271 WeakPolarHBondContact O-CB 3.37Å; V267-F271 WeakPolarHBondContact O-CD2 3.49Å; V267-F271 PolarHBondContact O-N 3.18Å
268	Y	59.4	Low	60.8	Low	54 Å²	54	86.4 Å²	86.4	21%	0.212	41%	0.414	C	S	.	.	H	α-helix	trans	-58.3	-45.2	175	169.8	-102.6	0	0	0	112.7	F257 Y264 F265 L270 F271 R272	F257-Y268 HydrophobicContact CB-CD1 4.36Å; F257-Y268 HydrophobicContact CB-CD2 3.56Å; F257-Y268 HydrophobicContact CB-CE1 4.32Å; F257-Y268 HydrophobicContact CB-CE2 3.52Å; F257-Y268 HydrophobicContact CB-CG 3.99Å; F257-Y268 HydrophobicContact CD1-CD2 4.2Å; F257-Y268 AromaticContact CD2-CD2 3.93Å; F257-Y268 HydrophobicContact CD2-CD2 3.93Å; F257-Y268 AromaticContact CD2-CE2 3.62Å; F257-Y268 HydrophobicContact CD2-CE2 3.62Å; F257-Y268 AromaticContact CG-CD2 3.63Å; F257-Y268 HydrophobicContact CG-CD2 3.63Å; F257-Y268 AromaticContact CG-CE2 3.69Å; F257-Y268 HydrophobicContact CG-CE2 3.69Å; F257-Y268 HydrophobicContact CG-CG 4.43Å; Y264-Y268 WeakPolarHBondContact O-CB 3.36Å; Y264-Y268 PolarHBondContact O-N 2.7Å; F265-Y268 PolarHBondContact O-N 3.08Å; Y268-L270 VanDerWaalsContact C-N 3.3Å; Y268-L270 PolarHBondContact O-N 3.33Å; Y268-F271 PolarHBondContact O-N 2.91Å; Y268-R272 WeakPolarHBondContact O-CA 3.37Å; Y268-R272 WeakPolarHBondContact O-CB 3.19Å; Y268-R272 PolarHBondContact O-N 2.73Å
269	Y	58.5	Low	62.8	Low	130 Å²	130	81.9 Å²	81.9	51%	0.51	40%	0.397	S	S	.	.	H	α-helix	trans	-61.1	-41.3	179.2	-174.5	-87	0	0	0	111.7	F265 L266 V267 R272	F265-Y269 WeakPolarHBondContact O-CB 3.4Å; F265-Y269 PolarHBondContact O-N 3.33Å; L266-Y269 PolarHBondContact O-N 3.22Å; V267-Y269 PolarHBondContact O-N 3.04Å; Y269-R272 VanDerWaalsContact CD2-NH2 3.33Å
270	L	60.8	Low	64.8	Low	97 Å²	97	80.8 Å²	80.8	51%	0.508	38%	0.384	S	S	.	.	H	α-helix	trans	-72.7	-30.4	178.1	-72.5	171.2	0	0	0	113.2	L266 V267 Y268 W273	L266-L270 HydrophobicContact CD1-CD1 4.41Å; L266-L270 HydrophobicContact CD1-CG 4.48Å; L266-L270 HydrophobicContact CG-CD1 4.09Å; L266-L270 WeakPolarHBondContact O-CB 3.44Å; L266-L270 VanDerWaalsContact O-CG 3.31Å; L266-L270 WeakPolarHBondContact O-CG 3.32Å; L266-L270 PolarHBondContact O-N 3.4Å; V267-L270 PolarHBondContact O-N 3.44Å; Y268-L270 VanDerWaalsContact C-N 3.3Å; Y268-L270 PolarHBondContact O-N 3.33Å; L270-W273 PolarHBondContact O-NE1 3.26Å
271	F	60.4	Low	66.8	Low	102 Å²	102	78.9 Å²	78.9	45%	0.447	37%	0.371	S	S	.	.	H	α-helix	trans	-103.7	-4.7	-178.1	-69.3	-70.1	0	0	0	114	V267 Y268 W273 L274	V267-F271 HydrophobicContact CB-CD2 4.47Å; V267-F271 HydrophobicContact CG1-CD2 3.59Å; V267-F271 HydrophobicContact CG1-CE2 3.9Å; V267-F271 WeakPolarHBondContact O-CB 3.37Å; V267-F271 WeakPolarHBondContact O-CD2 3.49Å; V267-F271 PolarHBondContact O-N 3.18Å; Y268-F271 PolarHBondContact O-N 2.91Å; F271-W273 PolarHBondContact O-N 3.45Å; F271-L274 HydrophobicContact CD1-CD1 3.61Å; F271-L274 HydrophobicContact CD1-CG 4.48Å; F271-L274 HydrophobicContact CE1-CD1 4.3Å; F271-L274 WeakPolarHBondContact O-CB 3.38Å; F271-L274 PolarHBondContact O-N 2.92Å
272	R	61.5	Low	69.1	Low	79 Å²	79	70.2 Å²	70.2	30%	0.298	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-49.7	-34	175.6	147.7	174.5	58.9	89.6	0.3	112.7	R253 Y268 Y269 L274 T275	R253-R272 VanDerWaalsContact CZ-O 3.31Å; R253-R272 PolarHBondContact NE-O 3.18Å; R253-R272 PolarHBondContact NH2-O 3.01Å; Y268-R272 WeakPolarHBondContact O-CA 3.37Å; Y268-R272 WeakPolarHBondContact O-CB 3.19Å; Y268-R272 PolarHBondContact O-N 2.73Å; Y269-R272 VanDerWaalsContact CD2-NH2 3.33Å; R272-L274 PolarHBondContact O-N 3.28Å; R272-T275 PolarHBondContact O-N 3.31Å; R272-T275 PolarHBondContact O-OG1 2.94Å
273	W	59.7	Low	70.8	Confident	82 Å²	82	67.7 Å²	67.7	31%	0.311	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-72.4	-19.6	-178.4	62.1	-83.9	0	0	0	113.9	L26 K30 R253 L270 F271	L26-W273 HydrophobicContact CB-CH2 3.07Å; L26-W273 HydrophobicContact CB-CZ2 3.67Å; L26-W273 HydrophobicContact CB-CZ3 3.75Å; L26-W273 HydrophobicContact CD1-CH2 3.58Å; L26-W273 HydrophobicContact CD1-CZ2 3.28Å; L26-W273 HydrophobicContact CD2-CZ2 4.49Å; L26-W273 HydrophobicContact CG-CH2 3.88Å; L26-W273 HydrophobicContact CG-CZ2 3.97Å; K30-W273 PolarHBondContact NZ-O 3.43Å; K30-W273 VanDerWaalsContact NZ-O 3.14Å; R253-W273 VanDerWaalsContact NH2-CA 3.32Å; L270-W273 PolarHBondContact O-NE1 3.26Å; F271-W273 PolarHBondContact O-N 3.45Å
274	L	63.7	Low	73.1	Confident	13 Å²	13	60.1 Å²	60.1	7%	0.068	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-80.7	-17.3	172.7	-56.1	-176.5	0	0	0	113.1	L26 K30 F271 R272	L26-L274 HydrophobicContact CB-CD2 4.34Å; L26-L274 HydrophobicContact CD2-CD1 4.3Å; K30-L274 HydrophobicContact CB-CD2 3.89Å; K30-L274 HydrophobicContact CD-CD2 4.45Å; K30-L274 HydrophobicContact CG-CD2 4.31Å; F271-L274 HydrophobicContact CD1-CD1 3.61Å; F271-L274 HydrophobicContact CD1-CG 4.48Å; F271-L274 HydrophobicContact CE1-CD1 4.3Å; F271-L274 WeakPolarHBondContact O-CB 3.38Å; F271-L274 PolarHBondContact O-N 2.92Å; R272-L274 PolarHBondContact O-N 3.28Å
275	T	70.9	Confident	75.1	Confident	9 Å²	9	53.1 Å²	53.1	6%	0.055	25%	0.245	C	C	.	.	S	Bend	trans	-84.3	151.1	-179.9	62.2	0	0	0	0	111.7	L251 R253 R272	L251-T275 HydrophobicContact CD2-CG2 3.66Å; L251-T275 HydrophobicContact CG-CG2 3.75Å; L251-T275 CarbonylContact O-C 3.57Å; L251-T275 WeakPolarHBondContact O-CA 3.38Å; L251-T275 VanDerWaalsContact O-CB 3.24Å; L251-T275 WeakPolarHBondContact O-CB 3.12Å; R253-T275 WeakPolarHBondContact CG-OG1 3.34Å; R272-T275 PolarHBondContact O-N 3.31Å; R272-T275 PolarHBondContact O-OG1 2.94Å
276	K	79	Confident	76.9	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.017	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-66.4	149.5	-178.5	-59.1	-159.8	168	-177.9	0	112.3	H36 L251 V252 R253 E280 E302	H36-K276 WeakPolarHBondContact ND1-CG 3.36Å; L251-K276 PolarHBondContact O-N 3.49Å; V252-K276 CarbonylContact C-O 3.46Å; V252-K276 WeakPolarHBondContact CA-O 3.29Å; V252-K276 HydrophobicContact CB-CB 4.48Å; V252-K276 HydrophobicContact CG2-CB 3.99Å; R253-K276 WeakPolarHBondContact CG-O 3.43Å; R253-K276 PolarHBondContact N-O 2.98Å; K276-E280 VanDerWaalsContact CA-OE2 3.25Å; K276-E280 WeakPolarHBondContact CA-OE2 3.35Å; K276-E280 HydrophobicContact CB-CB 4.02Å; K276-E280 HydrophobicContact CD-CB 4.21Å; K276-E280 HydrophobicContact CG-CB 4.5Å; K276-E302 WeakPolarHBondContact CE-OE1 3.49Å; K276-E302 IonicContact NZ-OE1 3.63Å; K276-E302 PolarHBondContact NZ-OE1 3.23Å; K276-E302 IonicContact NZ-OE2 2.7Å; K276-E302 PolarHBondContact NZ-OE2 3.09Å
277	T	84.9	Confident	78.9	Confident	52 Å²	52	44 Å²	44	32%	0.319	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-70.2	163.5	162.8	67.4	0	0	0	0	110.7	R279 E280 G281	T277-R279 VanDerWaalsContact C-N 3.25Å; T277-R279 PolarHBondContact O-N 3.16Å; T277-E280 PolarHBondContact N-OE2 2.72Å; T277-E280 PolarHBondContact O-N 2.85Å; T277-E280 WeakPolarHBondContact OG1-CB 3.49Å; T277-E280 VanDerWaalsContact OG1-CG 3.25Å; T277-E280 WeakPolarHBondContact OG1-CG 3.38Å; T277-E280 PolarHBondContact OG1-N 3.32Å; T277-E280 VanDerWaalsContact OG1-N 3.14Å; T277-E280 PolarHBondContact OG1-OE2 3.11Å; T277-G281 PolarHBondContact O-N 3.49Å
278	S	89.1	Confident	80.7	Confident	30 Å²	30	40.6 Å²	40.6	21%	0.21	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-38.4	173.1	-59.3	0	0	0	0	112	G58 G281 A282	G58-S278 WeakPolarHBondContact CA-OG 3.49Å; S278-G281 PolarHBondContact O-N 3.18Å; S278-A282 PolarHBondContact O-N 3.18Å
279	R	90.8	Very high	82.6	Confident	118 Å²	118	38 Å²	38	45%	0.445	17%	0.17	S	C	.	.	H	α-helix	trans	-62.1	-49	177.6	-177.9	-175.6	179.6	-99.3	-5.4	111.1	E38 E62 T277 G281 A282 Q283	E38-R279 IonicContact OE1-CZ 3.01Å; E38-R279 IonicContact OE1-NH1 2.72Å; E38-R279 PolarHBondContact OE1-NH1 3.39Å; E38-R279 IonicContact OE1-NH2 3.34Å; E38-R279 PolarHBondContact OE1-NH2 3.41Å; E62-R279 HydrophobicContact CG-CB 4.38Å; T277-R279 VanDerWaalsContact C-N 3.25Å; T277-R279 PolarHBondContact O-N 3.16Å; R279-G281 PolarHBondContact O-N 3.45Å; R279-A282 PolarHBondContact O-N 3.44Å; R279-Q283 WeakPolarHBondContact O-CG 3.11Å; R279-Q283 PolarHBondContact O-N 2.8Å; R279-Q283 PolarHBondContact O-NE2 3.14Å
280	E	90.1	Very high	84.4	Confident	44 Å²	44	31.9 Å²	31.9	21%	0.206	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-32.8	175.5	-70.7	163	171.2	0	0	112	H36 K276 T277	H36-E280 HydrophobicContact CB-CG 4.16Å; H36-E280 IonicContact CD2-OE1 3.81Å; H36-E280 IonicContact CE1-OE1 3.03Å; H36-E280 IonicContact CE1-OE2 2.84Å; H36-E280 PolarHBondContact CE1-OE2 2.94Å; H36-E280 IonicContact CG-OE1 2.69Å; H36-E280 IonicContact CG-OE2 2.78Å; H36-E280 IonicContact ND1-OE1 2.86Å; H36-E280 IonicContact ND1-OE2 3.24Å; H36-E280 PolarHBondContact ND1-OE2 3.43Å; H36-E280 VanDerWaalsContact ND1-OE2 3.08Å; H36-E280 IonicContact NE2-OE1 3.41Å; H36-E280 IonicContact NE2-OE2 3.41Å; K276-E280 VanDerWaalsContact CA-OE2 3.25Å; K276-E280 WeakPolarHBondContact CA-OE2 3.35Å; K276-E280 HydrophobicContact CB-CB 4.02Å; K276-E280 HydrophobicContact CD-CB 4.21Å; K276-E280 HydrophobicContact CG-CB 4.5Å; T277-E280 PolarHBondContact N-OE2 2.72Å; T277-E280 PolarHBondContact O-N 2.85Å; T277-E280 WeakPolarHBondContact OG1-CB 3.49Å; T277-E280 VanDerWaalsContact OG1-CG 3.25Å; T277-E280 WeakPolarHBondContact OG1-CG 3.38Å; T277-E280 PolarHBondContact OG1-N 3.32Å; T277-E280 VanDerWaalsContact OG1-N 3.14Å; T277-E280 PolarHBondContact OG1-OE2 3.11Å
281	G	90.7	Very high	86	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-70.5	-31	176.1	0	0	0	0	0	114.2	P249 T277 S278 R279 Q283	P249-G281 VanDerWaalsContact CB-O 3.25Å; P249-G281 WeakPolarHBondContact CB-O 3.29Å; P249-G281 VanDerWaalsContact O-CA 3.26Å; P249-G281 WeakPolarHBondContact O-CA 3.25Å; T277-G281 PolarHBondContact O-N 3.49Å; S278-G281 PolarHBondContact O-N 3.18Å; R279-G281 PolarHBondContact O-N 3.45Å; G281-Q283 VanDerWaalsContact C-N 3.31Å
282	A	94.7	Very high	87.6	Confident	1 Å²	1	29 Å²	29	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-74.4	-20.8	177.8	0	0	0	0	0	113	I59 E62 T63 S278 R279 T284 T285 V286	I59-A282 HydrophobicContact CG2-CB 4.26Å; E62-A282 HydrophobicContact CB-CB 3.98Å; T63-A282 WeakPolarHBondContact OG1-CB 3.33Å; S278-A282 PolarHBondContact O-N 3.18Å; R279-A282 PolarHBondContact O-N 3.44Å; A282-T284 PolarHBondContact O-N 2.88Å; A282-T285 WeakPolarHBondContact O-CA 3.39Å; A282-T285 WeakPolarHBondContact O-CB 3.21Å; A282-T285 PolarHBondContact O-N 3.38Å; A282-V286 WeakPolarHBondContact O-CG2 3.36Å; A282-V286 PolarHBondContact O-N 3.4Å
283	Q	95	Very high	89.1	Confident	7 Å²	7	31.7 Å²	31.7	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-58.9	-40.3	-169.6	-64	-56.5	-56.2	0	0	114.1	C37 R279 G281 V286 F287	C37-Q283 VanDerWaalsContact O-CB 3.28Å; C37-Q283 WeakPolarHBondContact O-CB 3.23Å; C37-Q283 WeakPolarHBondContact O-CG 3.26Å; R279-Q283 WeakPolarHBondContact O-CG 3.11Å; R279-Q283 PolarHBondContact O-N 2.8Å; R279-Q283 PolarHBondContact O-NE2 3.14Å; G281-Q283 VanDerWaalsContact C-N 3.31Å; Q283-V286 PolarHBondContact O-N 2.84Å; Q283-F287 VanDerWaalsContact O-CB 3.25Å; Q283-F287 WeakPolarHBondContact O-CB 3.31Å; Q283-F287 PolarHBondContact O-N 2.76Å
284	T	95.8	Very high	90.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-71.2	-34	177	-56.5	0	0	0	0	111.5	C37 V247 A282 F287 C288 E302 C303	C37-T284 PolarHBondContact SG-OG1 3.46Å; V247-T284 HydrophobicContact CG1-CG2 3.64Å; V247-T284 HydrophobicContact CG2-CG2 4.34Å; A282-T284 PolarHBondContact O-N 2.88Å; T284-F287 PolarHBondContact O-N 3.2Å; T284-C288 WeakPolarHBondContact O-CB 3.32Å; T284-C288 PolarHBondContact O-N 2.91Å; T284-C288 PolarHBondContact O-SG 3.21Å; T284-C288 VanDerWaalsContact O-SG 3.35Å; T284-E302 PolarHBondContact OG1-N 3.15Å; T284-C303 PolarHBondContact OG1-N 2.92Å; T284-C303 VanDerWaalsContact OG1-N 3.15Å
285	T	97.9	Very high	92.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-45.8	174.4	-53.8	0	0	0	0	110.8	T63 I143 I193 L195 A282 C288 A289	T63-T285 HydrophobicContact CG2-CG2 3.82Å; I143-T285 HydrophobicContact CD1-CG2 4.09Å; I143-T285 HydrophobicContact CG2-CG2 3.62Å; I193-T285 HydrophobicContact CG2-CG2 4.14Å; L195-T285 HydrophobicContact CD2-CG2 4.17Å; A282-T285 WeakPolarHBondContact O-CA 3.39Å; A282-T285 WeakPolarHBondContact O-CB 3.21Å; A282-T285 PolarHBondContact O-N 3.38Å; T285-C288 CarbonylContact O-C 3.52Å; T285-C288 PolarHBondContact O-N 2.73Å; T285-A289 PolarHBondContact O-N 3.38Å
286	V	97.4	Very high	93.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-48.2	175.2	168.3	0	0	0	0	110.4	C39 E66 A282 Q283 C288 A289 L290	C39-V286 HydrophobicContact CB-CG1 4.06Å; E66-V286 HydrophobicContact CB-CG2 3.88Å; E66-V286 HydrophobicContact CG-CB 4.3Å; E66-V286 HydrophobicContact CG-CG1 3.59Å; E66-V286 HydrophobicContact CG-CG2 3.74Å; A282-V286 WeakPolarHBondContact O-CG2 3.36Å; A282-V286 PolarHBondContact O-N 3.4Å; Q283-V286 PolarHBondContact O-N 2.84Å; V286-C288 VanDerWaalsContact C-N 3.28Å; V286-C288 PolarHBondContact O-N 3.42Å; V286-A289 WeakPolarHBondContact O-CA 3.45Å; V286-A289 WeakPolarHBondContact O-CB 3.48Å; V286-A289 PolarHBondContact O-N 3.46Å; V286-L290 HydrophobicContact CG1-CD1 3.5Å; V286-L290 VanDerWaalsContact CG1-CD1 3.5Å; V286-L290 HydrophobicContact CG1-CG 4.48Å; V286-L290 WeakPolarHBondContact O-CD1 3.12Å; V286-L290 VanDerWaalsContact O-CG 3.25Å; V286-L290 WeakPolarHBondContact O-CG 3.45Å; V286-L290 PolarHBondContact O-N 3.48Å
287	F	97.5	Very high	94.6	Very high	29 Å²	29	35.8 Å²	35.8	13%	0.127	19%	0.185	C	C	.	.	H	α-helix	trans	-52.9	-48.3	174.5	176.6	-87.5	0	0	0	111.1	C39 L41 Q283 T284 A289 L290 D291 Y300 C303	C39-F287 HydrophobicContact CB-CB 4.32Å; L41-F287 HydrophobicContact CD1-CD2 3.71Å; L41-F287 HydrophobicContact CD1-CE2 3.83Å; L41-F287 HydrophobicContact CD1-CG 4.42Å; L41-F287 HydrophobicContact CG-CD2 4.14Å; L41-F287 HydrophobicContact CG-CE2 4.2Å; Q283-F287 VanDerWaalsContact O-CB 3.25Å; Q283-F287 WeakPolarHBondContact O-CB 3.31Å; Q283-F287 PolarHBondContact O-N 2.76Å; T284-F287 PolarHBondContact O-N 3.2Å; F287-A289 PolarHBondContact O-N 2.77Å; F287-L290 PolarHBondContact O-N 2.63Å; F287-L290 VanDerWaalsContact O-N 3.11Å; F287-D291 HydrophobicContact CD1-CB 4.35Å; F287-D291 HydrophobicContact CE1-CB 3.89Å; F287-D291 HydrophobicContact CE2-CB 4.44Å; F287-D291 HydrophobicContact CZ-CB 3.94Å; F287-D291 WeakPolarHBondContact O-CB 3.5Å; F287-D291 PolarHBondContact O-N 3.37Å; F287-Y300 HydrophobicContact CD1-CD1 4.37Å; F287-Y300 HydrophobicContact CD1-CE1 4.47Å; F287-Y300 HydrophobicContact CE1-CD1 4.14Å; F287-Y300 AromaticContact CE1-CE1 3.85Å; F287-Y300 HydrophobicContact CE1-CE1 3.85Å; F287-C303 HydrophobicContact CB-CB 4.11Å; F287-C303 HydrophobicContact CD1-CB 4.27Å; F287-C303 HydrophobicContact CD2-CB 3.82Å; F287-C303 WeakPolarHBondContact CE1-O 3.35Å; F287-C303 HydrophobicContact CE2-CB 4.34Å; F287-C303 HydrophobicContact CG-CB 3.78Å; F287-C303 WeakPolarHBondContact CZ-O 3.22Å
288	C	98	Very high	95.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.6	-18.9	177.1	-69.9	0	0	0	0	114.4	I193 V245 V247 T284 T285 V286 L290 L294 Y300	I193-C288 VanDerWaalsContact CD1-C 3.46Å; I193-C288 HydrophobicContact CD1-CB 3.93Å; I193-C288 WeakPolarHBondContact CD1-O 3.34Å; I193-C288 HydrophobicContact CG1-CB 4.23Å; I193-C288 HydrophobicContact CG2-CB 4.36Å; V245-C288 HydrophobicContact CG2-CB 3.94Å; V247-C288 HydrophobicContact CG2-CB 4.11Å; T284-C288 WeakPolarHBondContact O-CB 3.32Å; T284-C288 PolarHBondContact O-N 2.91Å; T284-C288 PolarHBondContact O-SG 3.21Å; T284-C288 VanDerWaalsContact O-SG 3.35Å; T285-C288 CarbonylContact O-C 3.52Å; T285-C288 PolarHBondContact O-N 2.73Å; V286-C288 VanDerWaalsContact C-N 3.28Å; V286-C288 PolarHBondContact O-N 3.42Å; C288-L290 VanDerWaalsContact C-N 3.32Å; C288-L294 HydrophobicContact CB-CD2 4.29Å; C288-L294 WeakPolarHBondContact O-CD1 3.37Å; C288-Y300 VanDerWaalsContact SG-CG 3.59Å
289	A	97.7	Very high	95.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-80.4	-17.2	173.7	0	0	0	0	0	112.4	L67 I141 R191 I193 T285 V286 F287	L67-A289 HydrophobicContact CD2-CB 3.7Å; I141-A289 HydrophobicContact CD1-CB 4.39Å; I141-A289 WeakPolarHBondContact CD1-O 3.45Å; I141-A289 HydrophobicContact CG2-CB 4.43Å; R191-A289 PolarHBondContact NH1-O 2.57Å; I193-A289 HydrophobicContact CD1-CB 3.83Å; T285-A289 PolarHBondContact O-N 3.38Å; V286-A289 WeakPolarHBondContact O-CA 3.45Å; V286-A289 WeakPolarHBondContact O-CB 3.48Å; V286-A289 PolarHBondContact O-N 3.46Å; F287-A289 PolarHBondContact O-N 2.77Å
290	L	96.3	Very high	95.9	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-117.3	-35.9	-168.9	-62.6	164.8	0	0	0	113.6	L41 D43 L45 V286 F287 C288 K292	L41-L290 HydrophobicContact CB-CB 4.36Å; L41-L290 HydrophobicContact CB-CD1 4.44Å; L41-L290 HydrophobicContact CD1-CB 3.85Å; D43-L290 HydrophobicContact CB-CB 4.4Å; D43-L290 HydrophobicContact CB-CD2 4.25Å; D43-L290 WeakPolarHBondContact O-CD2 3.44Å; L45-L290 HydrophobicContact CD1-CD2 3.96Å; L45-L290 HydrophobicContact CD2-CD2 4.01Å; L45-L290 HydrophobicContact CG-CD2 3.85Å; V286-L290 HydrophobicContact CG1-CD1 3.5Å; V286-L290 VanDerWaalsContact CG1-CD1 3.5Å; V286-L290 HydrophobicContact CG1-CG 4.48Å; V286-L290 WeakPolarHBondContact O-CD1 3.12Å; V286-L290 VanDerWaalsContact O-CG 3.25Å; V286-L290 WeakPolarHBondContact O-CG 3.45Å; V286-L290 PolarHBondContact O-N 3.48Å; F287-L290 PolarHBondContact O-N 2.63Å; F287-L290 VanDerWaalsContact O-N 3.11Å; C288-L290 VanDerWaalsContact C-N 3.32Å; L290-K292 PolarHBondContact O-N 3.02Å
291	D	95.9	Very high	96.1	Very high	22 Å²	22	26.1 Å²	26.1	12%	0.118	14%	0.142	C	C	.	.			trans	-59.3	124.4	-176.4	-177.2	22.2	0	0	0	110.9	L41 F287 N293 L294	L41-D291 HydrophobicContact CD1-CB 3.8Å; F287-D291 HydrophobicContact CD1-CB 4.35Å; F287-D291 HydrophobicContact CE1-CB 3.89Å; F287-D291 HydrophobicContact CE2-CB 4.44Å; F287-D291 HydrophobicContact CZ-CB 3.94Å; F287-D291 WeakPolarHBondContact O-CB 3.5Å; F287-D291 PolarHBondContact O-N 3.37Å; D291-N293 VanDerWaalsContact C-N 3.27Å; D291-N293 PolarHBondContact OD1-N 3.29Å; D291-L294 HydrophobicContact CB-CD2 3.96Å; D291-L294 HydrophobicContact CB-CG 4.14Å; D291-L294 WeakPolarHBondContact O-CG 3.27Å
292	K	92.9	Very high	96.1	Very high	116 Å²	116	27.6 Å²	27.6	50%	0.504	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.5	178.4	-64.9	179.1	-177.7	155.9	0	112.1	D43 E188 L290	D43-K292 WeakPolarHBondContact OD1-CE 3.35Å; D43-K292 IonicContact OD1-NZ 3.61Å; D43-K292 PolarHBondContact OD1-NZ 3.44Å; E188-K292 WeakPolarHBondContact OE1-CE 3.44Å; L290-K292 PolarHBondContact O-N 3.02Å
293	N	93.7	Very high	96.1	Very high	136 Å²	136	28.5 Å²	28.5	73%	0.727	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.4	36.2	-172.7	-58.5	-58.3	0	0	0	112.9	D291 I295	D291-N293 VanDerWaalsContact C-N 3.27Å; D291-N293 PolarHBondContact OD1-N 3.29Å; N293-I295 PolarHBondContact O-N 3.19Å
294	L	95.8	Very high	96	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.079	18%	0.176	C	C	.	.			trans	-59.8	135.3	177.2	-68.8	169.4	0	0	0	111.7	R191 V245 C288 D291 P296 Y300	R191-L294 HydrophobicContact CG-CD1 4.31Å; V245-L294 HydrophobicContact CG1-CB 4.4Å; C288-L294 HydrophobicContact CB-CD2 4.29Å; C288-L294 WeakPolarHBondContact O-CD1 3.37Å; D291-L294 HydrophobicContact CB-CD2 3.96Å; D291-L294 HydrophobicContact CB-CG 4.14Å; D291-L294 WeakPolarHBondContact O-CG 3.27Å; L294-P296 VanDerWaalsContact O-CD 3.24Å; L294-P296 WeakPolarHBondContact O-CD 3.32Å; L294-Y300 WeakPolarHBondContact CA-OH 3.47Å; L294-Y300 HydrophobicContact CD2-CE1 4.12Å; L294-Y300 HydrophobicContact CD2-CE2 4.1Å
295	I	97.4	Very high	96.1	Very high	90 Å²	90	37.1 Å²	37.1	46%	0.462	20%	0.195	S	C	.	.			trans	-76.2	114.8	170.9	-56.3	-176.8	0	0	0	107.6	N293 G297 A298 Y300 P305	N293-I295 PolarHBondContact O-N 3.19Å; I295-G297 PolarHBondContact O-N 3.4Å; I295-A298 HydrophobicContact CB-CB 3.73Å; I295-A298 HydrophobicContact CG2-CB 3.83Å; I295-A298 VanDerWaalsContact O-CB 3.26Å; I295-A298 WeakPolarHBondContact O-CB 3.45Å; I295-A298 PolarHBondContact O-N 3.32Å; I295-A298 VanDerWaalsContact O-N 3.14Å; I295-Y300 PolarHBondContact N-OH 2.93Å; I295-P305 HydrophobicContact CD1-CB 4.03Å; I295-P305 HydrophobicContact CD1-CG 3.53Å; I295-P305 HydrophobicContact CG1-CG 4.2Å
296	P	97.2	Very high	95.9	Very high	73 Å²	73	42.2 Å²	42.2	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	131.5	-174.3	-19.4	31.9	0	0	0	111.9	C234 I243 L294 A298	C234-P296 VanDerWaalsContact SG-C 3.57Å; C234-P296 WeakPolarHBondContact SG-CB 3.5Å; I243-P296 HydrophobicContact CD1-CG 4.24Å; I243-P296 HydrophobicContact CG2-CB 3.96Å; I243-P296 HydrophobicContact CG2-CG 4.34Å; L294-P296 VanDerWaalsContact O-CD 3.24Å; L294-P296 WeakPolarHBondContact O-CD 3.32Å; P296-A298 PolarHBondContact O-N 2.95Å
297	G	97.2	Very high	95.8	Very high	15 Å²	15	52.7 Å²	52.7	16%	0.155	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	2.3	-178.7	0	0	0	0	0	115.1	S244 I295	S244-G297 VanDerWaalsContact O-CA 3.23Å; S244-G297 WeakPolarHBondContact O-CA 3.38Å; S244-G297 PolarHBondContact O-N 2.64Å; I295-G297 PolarHBondContact O-N 3.4Å
298	A	97.9	Very high	95.7	Very high	19 Å²	19	52.1 Å²	52.1	16%	0.157	25%	0.253	C	S	.	.			trans	-76.4	159.6	-176.5	0	0	0	0	0	113.4	V245 S246 I295 P296 Y300	V245-A298 WeakPolarHBondContact CA-O 3.34Å; S246-A298 PolarHBondContact N-O 2.8Å; I295-A298 HydrophobicContact CB-CB 3.73Å; I295-A298 HydrophobicContact CG2-CB 3.83Å; I295-A298 VanDerWaalsContact O-CB 3.26Å; I295-A298 WeakPolarHBondContact O-CB 3.45Å; I295-A298 PolarHBondContact O-N 3.32Å; I295-A298 VanDerWaalsContact O-N 3.14Å; P296-A298 PolarHBondContact O-N 2.95Å; A298-Y300 HydrophobicContact CB-CD2 4.27Å; A298-Y300 HydrophobicContact CB-CE2 3.81Å
299	F	98.1	Very high	95.5	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.035	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.9	171.9	173.6	-105.6	0	0	0	109.8	H200 V227 S246 H248 P305 R306 C308	H200-F299 AromaticContact CE1-CE1 3.67Å; H200-F299 AromaticContact CE1-CE2 3.7Å; H200-F299 AromaticContact CE1-CZ 3.38Å; H200-F299 WeakPolarHBondContact CE1-CZ 3.48Å; H200-F299 AromaticContact ND1-CE2 3.93Å; H200-F299 AromaticContact ND1-CZ 3.8Å; V227-F299 HydrophobicContact CG1-CB 4.46Å; V227-F299 HydrophobicContact CG2-CD2 4.01Å; V227-F299 HydrophobicContact CG2-CE2 4.36Å; S246-F299 CarbonylContact O-C 3.59Å; S246-F299 WeakPolarHBondContact O-CA 3.44Å; S246-F299 WeakPolarHBondContact OG-CA 3.21Å; S246-F299 WeakPolarHBondContact OG-CD2 2.86Å; H248-F299 HydrophobicContact CB-CE2 3.79Å; H248-F299 HydrophobicContact CB-CZ 3.46Å; H248-F299 VanDerWaalsContact CB-CZ 3.46Å; F299-P305 CarbonylContact O-C 3.58Å; F299-P305 WeakPolarHBondContact O-CA 3.23Å; F299-R306 HydrophobicContact CD1-CB 3.89Å; F299-R306 HydrophobicContact CE1-CB 4.13Å; F299-R306 PolarHBondContact O-N 2.83Å; F299-C308 HydrophobicContact CB-CB 3.83Å; F299-C308 HydrophobicContact CD1-CB 4.15Å; F299-C308 HydrophobicContact CG-CB 4.02Å
300	Y	97.3	Very high	95.5	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.7	-176	-80.8	-102.5	0	0	0	111.7	V245 S246 V247 H248 F287 C288 L294 I295 A298 R304 P305	V245-Y300 HydrophobicContact CB-CD2 4.09Å; V245-Y300 HydrophobicContact CB-CE2 4.27Å; V245-Y300 HydrophobicContact CG1-CD2 4.18Å; V245-Y300 HydrophobicContact CG1-CE2 3.83Å; S246-Y300 PolarHBondContact O-N 3.06Å; V247-Y300 WeakPolarHBondContact CA-O 3.36Å; H248-Y300 PolarHBondContact N-O 3.29Å; F287-Y300 HydrophobicContact CD1-CD1 4.37Å; F287-Y300 HydrophobicContact CD1-CE1 4.47Å; F287-Y300 HydrophobicContact CE1-CD1 4.14Å; F287-Y300 AromaticContact CE1-CE1 3.85Å; F287-Y300 HydrophobicContact CE1-CE1 3.85Å; C288-Y300 VanDerWaalsContact SG-CG 3.59Å; L294-Y300 WeakPolarHBondContact CA-OH 3.47Å; L294-Y300 HydrophobicContact CD2-CE1 4.12Å; L294-Y300 HydrophobicContact CD2-CE2 4.1Å; I295-Y300 PolarHBondContact N-OH 2.93Å; A298-Y300 HydrophobicContact CB-CD2 4.27Å; A298-Y300 HydrophobicContact CB-CE2 3.81Å; Y300-R304 WeakPolarHBondContact CA-O 3.49Å; Y300-P305 HydrophobicContact CD1-CG 4.5Å; Y300-P305 HydrophobicContact CE1-CG 3.81Å
301	S	93.3	Very high	95.5	Very high	11 Å²	11	57.9 Å²	57.9	8%	0.077	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	136.9	170.6	168.2	0	0	0	0	109.7	C303 R304 R306	S301-C303 VanDerWaalsContact C-N 3.34Å; S301-R304 PolarHBondContact N-O 2.81Å; S301-R304 WeakPolarHBondContact O-CG 3.35Å; S301-R306 PolarHBondContact O-NE 3.32Å
302	E	91.4	Very high	95.5	Very high	31 Å²	31	56.9 Å²	56.9	15%	0.145	29%	0.285	C	S	.	.	S	Bend	trans	57.2	46.9	-171.1	-52.1	-47.3	134.7	0	0	112	C37 K276 T284 R304	C37-E302 HydrophobicContact CB-CB 4.17Å; C37-E302 PolarHBondContact N-OE2 3.11Å; C37-E302 WeakPolarHBondContact SG-CA 3.06Å; K276-E302 WeakPolarHBondContact CE-OE1 3.49Å; K276-E302 IonicContact NZ-OE1 3.63Å; K276-E302 PolarHBondContact NZ-OE1 3.23Å; K276-E302 IonicContact NZ-OE2 2.7Å; K276-E302 PolarHBondContact NZ-OE2 3.09Å; T284-E302 PolarHBondContact OG1-N 3.15Å; E302-R304 WeakPolarHBondContact O-CG 3.37Å; E302-R304 PolarHBondContact O-N 3.33Å; E302-R304 VanDerWaalsContact O-N 3.13Å
303	C	93.8	Very high	95.6	Very high	19 Å²	19	56.5 Å²	56.5	13%	0.128	29%	0.288	C	S	.	.	S	Bend	trans	58.8	27.6	174.3	-53.1	0	0	0	0	113.6	C37 T284 F287 S301	C37-C303 HydrophobicContact CB-CB 3.73Å; C37-C303 WeakPolarHBondContact CB-SG 3.5Å; C37-C303 WeakPolarHBondContact SG-CB 3.26Å; C37-C303 PolarHBondContact SG-N 2.98Å; C37-C303 CovalentContact SG-SG 2.07Å; C37-C303 PolarHBondContact SG-SG 2.82Å; T284-C303 PolarHBondContact OG1-N 2.92Å; T284-C303 VanDerWaalsContact OG1-N 3.15Å; F287-C303 HydrophobicContact CB-CB 4.11Å; F287-C303 HydrophobicContact CD1-CB 4.27Å; F287-C303 HydrophobicContact CD2-CB 3.82Å; F287-C303 WeakPolarHBondContact CE1-O 3.35Å; F287-C303 HydrophobicContact CE2-CB 4.34Å; F287-C303 HydrophobicContact CG-CB 3.78Å; F287-C303 WeakPolarHBondContact CZ-O 3.22Å; S301-C303 VanDerWaalsContact C-N 3.34Å
304	R	94.5	Very high	95.7	Very high	128 Å²	128	53 Å²	53	48%	0.483	27%	0.269	S	S	.	.	S	Bend	trans	-151.3	156.4	178.8	61.5	-174.4	151.8	174	-5.4	112.7	Y300 S301 E302 R306	Y300-R304 WeakPolarHBondContact CA-O 3.49Å; S301-R304 PolarHBondContact N-O 2.81Å; S301-R304 WeakPolarHBondContact O-CG 3.35Å; E302-R304 WeakPolarHBondContact O-CG 3.37Å; E302-R304 PolarHBondContact O-N 3.33Å; E302-R304 VanDerWaalsContact O-N 3.13Å; R304-R306 VanDerWaalsContact CZ-CZ 3.45Å
305	P	96.1	Very high	95.7	Very high	61 Å²	61	55.7 Å²	55.7	40%	0.396	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	138.2	173.1	-19.7	31	0	0	0	111.8	I295 F299 Y300	I295-P305 HydrophobicContact CD1-CB 4.03Å; I295-P305 HydrophobicContact CD1-CG 3.53Å; I295-P305 HydrophobicContact CG1-CG 4.2Å; F299-P305 CarbonylContact O-C 3.58Å; F299-P305 WeakPolarHBondContact O-CA 3.23Å; Y300-P305 HydrophobicContact CD1-CG 4.5Å; Y300-P305 HydrophobicContact CE1-CG 3.81Å
306	R	94.8	Very high	95.6	Very high	108 Å²	108	58.9 Å²	58.9	41%	0.408	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	162.1	177.6	-65	-55.8	-165	154.3	20.2	111.1	F299 S301 R304	F299-R306 HydrophobicContact CD1-CB 3.89Å; F299-R306 HydrophobicContact CE1-CB 4.13Å; F299-R306 PolarHBondContact O-N 2.83Å; S301-R306 PolarHBondContact O-NE 3.32Å; R304-R306 VanDerWaalsContact CZ-CZ 3.45Å
307	R	95	Very high	95.5	Very high	220 Å²	220	56.4 Å²	56.4	83%	0.83	28%	0.279	S	S	*	.			trans	-66.7	141.7	169.5	-65.3	-176.1	179.8	177.8	0	109.8	W201	W201-R307 HydrophobicContact CZ3-CB 4.16Å
308	C	95.1	Very high	95.4	Very high	16 Å²	16	55.7 Å²	55.7	11%	0.108	27%	0.272	C	S	.	.			trans	-115.6	173.4	171.8	59.7	0	0	0	0	110.5	H200 W201 V227 F299 S310	H200-C308 WeakPolarHBondContact NE2-CA 3.44Å; H200-C308 WeakPolarHBondContact NE2-CB 3.43Å; W201-C308 WeakPolarHBondContact CZ3-O 3.29Å; V227-C308 HydrophobicContact CG1-CB 3.9Å; F299-C308 HydrophobicContact CB-CB 3.83Å; F299-C308 HydrophobicContact CD1-CB 4.15Å; F299-C308 HydrophobicContact CG-CB 4.02Å; C308-S310 PolarHBondContact O-N 2.64Å
309	N	95.1	Very high	95.3	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.07	28%	0.279	C	S	.	.			trans	-49.5	134.1	173.2	-173	-50.4	0	0	0	111.1	H200 W201 A203 L224 Q311 A312	H200-N309 PolarHBondContact NE2-N 2.86Å; H200-N309 VanDerWaalsContact NE2-N 3.16Å; H200-N309 PolarHBondContact O-ND2 2.94Å; W201-N309 PolarHBondContact O-ND2 2.93Å; A203-N309 PolarHBondContact O-ND2 3.1Å; L224-N309 HydrophobicContact CD1-CB 3.55Å; N309-Q311 PolarHBondContact O-N 2.71Å; N309-Q311 VanDerWaalsContact O-N 3.15Å; N309-Q311 WeakPolarHBondContact OD1-CB 3.48Å; N309-Q311 PolarHBondContact OD1-N 3.42Å; N309-A312 WeakPolarHBondContact O-CB 3.46Å; N309-A312 PolarHBondContact O-N 3.14Å
310	S	96.4	Very high	95.1	Very high	92 Å²	92	59.8 Å²	59.8	64%	0.643	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-60.8	-26	-176.1	56.4	0	0	0	0	114	C308 A312 L313 N314	C308-S310 PolarHBondContact O-N 2.64Å; S310-A312 PolarHBondContact O-N 3.02Å; S310-L313 WeakPolarHBondContact O-CB 3.14Å; S310-L313 PolarHBondContact O-N 3.31Å; S310-N314 PolarHBondContact O-N 3.3Å
311	Q	95.9	Very high	95	Very high	19 Å²	19	59.8 Å²	59.8	9%	0.089	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-64.5	-29.8	174	-68.9	-169.2	-65.7	0	0	112.6	L205 N309 L313 N314 I317	L205-Q311 PolarHBondContact O-NE2 3.14Å; N309-Q311 PolarHBondContact O-N 2.71Å; N309-Q311 VanDerWaalsContact O-N 3.15Å; N309-Q311 WeakPolarHBondContact OD1-CB 3.48Å; N309-Q311 PolarHBondContact OD1-N 3.42Å; Q311-L313 PolarHBondContact O-N 3.08Å; Q311-N314 PolarHBondContact O-N 3.3Å; Q311-I317 HydrophobicContact CB-CD1 4.11Å; Q311-I317 HydrophobicContact CB-CG2 4.3Å; Q311-I317 HydrophobicContact CG-CD1 3.89Å
312	A	96.3	Very high	95.1	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-71.2	-11.6	174.2	0	0	0	0	0	113	L224 V227 I228 R231 N309 S310 C318	L224-A312 HydrophobicContact CD1-CB 4.27Å; V227-A312 HydrophobicContact CB-CB 4.29Å; V227-A312 HydrophobicContact CG1-CB 3.67Å; I228-A312 HydrophobicContact CG1-CB 3.85Å; R231-A312 WeakPolarHBondContact CD-O 3.49Å; R231-A312 PolarHBondContact NE-O 3.47Å; R231-A312 PolarHBondContact NH1-O 2.85Å; N309-A312 WeakPolarHBondContact O-CB 3.46Å; N309-A312 PolarHBondContact O-N 3.14Å; S310-A312 PolarHBondContact O-N 3.02Å; A312-C318 PolarHBondContact O-SG 3.41Å; A312-C318 VanDerWaalsContact O-SG 3.33Å
313	L	95.8	Very high	95.3	Very high	108 Å²	108	64.1 Å²	64.1	57%	0.565	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-99.5	-4.3	174.9	-56.6	177.9	0	0	0	112.8	R231 S310 Q311	R231-L313 VanDerWaalsContact NH1-CA 3.34Å; R231-L313 PolarHBondContact NH1-O 3.19Å; R231-L313 PolarHBondContact NH2-O 3.26Å; S310-L313 WeakPolarHBondContact O-CB 3.14Å; S310-L313 PolarHBondContact O-N 3.31Å; Q311-L313 PolarHBondContact O-N 3.08Å
314	N	96.2	Very high	95.3	Very high	62 Å²	62	64 Å²	64	33%	0.332	31%	0.305	S	S	.	.			trans	-92.8	117.8	178.7	-179.9	-55.3	0	0	0	110.7	S310 Q311 E316 I317 C318	S310-N314 PolarHBondContact O-N 3.3Å; Q311-N314 PolarHBondContact O-N 3.3Å; N314-E316 PolarHBondContact O-N 2.91Å; N314-E316 WeakPolarHBondContact OD1-CB 3.47Å; N314-E316 PolarHBondContact OD1-N 2.98Å; N314-I317 HydrophobicContact CB-CB 4.19Å; N314-I317 HydrophobicContact CB-CD1 3.94Å; N314-I317 HydrophobicContact CB-CG1 4.17Å; N314-I317 PolarHBondContact O-N 3.08Å; N314-I317 PolarHBondContact OD1-N 3.44Å; N314-C318 WeakPolarHBondContact O-CB 3.43Å; N314-C318 PolarHBondContact O-N 3.1Å; N314-C318 PolarHBondContact O-SG 3.23Å
315	D	95.8	Very high	95.3	Very high	72 Å²	72	57.9 Å²	57.9	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-37.5	-175.6	-81.4	29.1	0	0	0	114	R231 K235 C318 N319	R231-D315 IonicContact CZ-OD1 2.71Å; R231-D315 IonicContact NH1-OD1 3.35Å; R231-D315 PolarHBondContact NH1-OD1 3.09Å; R231-D315 IonicContact NH2-OD1 3.05Å; R231-D315 PolarHBondContact NH2-OD1 3.26Å; K235-D315 IonicContact NZ-OD2 2.74Å; K235-D315 PolarHBondContact NZ-OD2 3.4Å; D315-C318 PolarHBondContact O-N 3.17Å; D315-N319 VanDerWaalsContact O-CB 3.26Å; D315-N319 WeakPolarHBondContact O-CB 3.25Å; D315-N319 PolarHBondContact O-N 2.85Å
316	E	94.5	Very high	95.3	Very high	157 Å²	157	57.4 Å²	57.4	73%	0.734	28%	0.275	S	S	*	.	H	α-helix	trans	-67.3	-44.9	179.6	-62.9	178.1	173.1	0	0	110.6	N314 H320	N314-E316 PolarHBondContact O-N 2.91Å; N314-E316 WeakPolarHBondContact OD1-CB 3.47Å; N314-E316 PolarHBondContact OD1-N 2.98Å; E316-H320 VanDerWaalsContact O-CB 3.3Å; E316-H320 WeakPolarHBondContact O-CB 3.45Å; E316-H320 PolarHBondContact O-N 3.02Å
317	I	94.4	Very high	95.2	Very high	20 Å²	20	54.5 Å²	54.5	10%	0.103	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-44.4	176.8	-64.2	175.1	0	0	0	110.4	I228 Q311 N314 H320 V321	I228-I317 HydrophobicContact CD1-CG2 4.4Å; Q311-I317 HydrophobicContact CB-CD1 4.11Å; Q311-I317 HydrophobicContact CB-CG2 4.3Å; Q311-I317 HydrophobicContact CG-CD1 3.89Å; N314-I317 HydrophobicContact CB-CB 4.19Å; N314-I317 HydrophobicContact CB-CD1 3.94Å; N314-I317 HydrophobicContact CB-CG1 4.17Å; N314-I317 PolarHBondContact O-N 3.08Å; N314-I317 PolarHBondContact OD1-N 3.44Å; I317-H320 PolarHBondContact O-N 3.35Å; I317-V321 HydrophobicContact CG2-CG2 4.46Å; I317-V321 WeakPolarHBondContact O-CG2 3.44Å; I317-V321 PolarHBondContact O-N 3.44Å
318	C	95.8	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-46.1	-179.6	-66.9	0	0	0	0	111.8	I228 R231 E232 A312 N314 D315 H320 V321 W322	I228-C318 HydrophobicContact CG2-CB 3.9Å; R231-C318 PolarHBondContact NH1-SG 3.24Å; E232-C318 HydrophobicContact CG-CB 3.89Å; E232-C318 WeakPolarHBondContact OE1-CB 3.46Å; A312-C318 PolarHBondContact O-SG 3.41Å; A312-C318 VanDerWaalsContact O-SG 3.33Å; N314-C318 WeakPolarHBondContact O-CB 3.43Å; N314-C318 PolarHBondContact O-N 3.1Å; N314-C318 PolarHBondContact O-SG 3.23Å; D315-C318 PolarHBondContact O-N 3.17Å; C318-H320 VanDerWaalsContact C-N 3.34Å; C318-H320 PolarHBondContact O-N 3.48Å; C318-V321 PolarHBondContact O-N 2.95Å; C318-W322 PolarHBondContact O-N 3.43Å
319	N	95	Very high	95.1	Very high	56 Å²	56	44 Å²	44	30%	0.299	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-37.7	176.1	-179	52.4	0	0	0	112.3	R236 D315 W322 K323	R236-N319 PolarHBondContact NH2-OD1 2.97Å; D315-N319 VanDerWaalsContact O-CB 3.26Å; D315-N319 WeakPolarHBondContact O-CB 3.25Å; D315-N319 PolarHBondContact O-N 2.85Å; N319-W322 PolarHBondContact O-N 2.74Å; N319-K323 WeakPolarHBondContact O-CG 2.92Å; N319-K323 PolarHBondContact O-N 3.35Å
320	H	94.1	Very high	95	Very high	57 Å²	57	48.2 Å²	48.2	26%	0.264	26%	0.256	S	S	.	.	H	α-helix	trans	-61.2	-50.1	174	177	79.9	0	0	0	111.1	P207 E316 I317 C318 W322 K323 T324	P207-H320 PolarHBondContact O-CE1 3.4Å; P207-H320 PolarHBondContact O-ND1 3.01Å; P207-H320 PolarHBondContact O-NE2 2.99Å; P207-H320 VanDerWaalsContact O-NE2 3.07Å; E316-H320 VanDerWaalsContact O-CB 3.3Å; E316-H320 WeakPolarHBondContact O-CB 3.45Å; E316-H320 PolarHBondContact O-N 3.02Å; I317-H320 PolarHBondContact O-N 3.35Å; C318-H320 VanDerWaalsContact C-N 3.34Å; C318-H320 PolarHBondContact O-N 3.48Å; H320-W322 VanDerWaalsContact C-N 3.28Å; H320-W322 PolarHBondContact O-N 2.81Å; H320-K323 PolarHBondContact O-N 3.47Å; H320-T324 PolarHBondContact CE1-OG1 3.38Å; H320-T324 VanDerWaalsContact CE1-OG1 3.31Å; H320-T324 PolarHBondContact NE2-OG1 3.03Å; H320-T324 WeakPolarHBondContact O-CB 2.96Å; H320-T324 PolarHBondContact O-N 3.42Å; H320-T324 PolarHBondContact O-OG1 3.01Å
321	V	95	Very high	94.8	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-41.8	177.6	169.5	0	0	0	0	111.5	L205 L212 M225 I228 I317 C318 S325	L205-V321 HydrophobicContact CD1-CG2 3.51Å; L212-V321 HydrophobicContact CD2-CG1 4.3Å; L212-V321 HydrophobicContact CD2-CG2 4.36Å; M225-V321 HydrophobicContact CB-CG1 4.45Å; M225-V321 HydrophobicContact CG-CG1 4.21Å; I228-V321 HydrophobicContact CB-CG1 4.49Å; I228-V321 HydrophobicContact CD1-CG2 4.06Å; I228-V321 HydrophobicContact CG2-CB 3.88Å; I228-V321 HydrophobicContact CG2-CG1 3.83Å; I228-V321 HydrophobicContact CG2-CG2 4.41Å; I317-V321 HydrophobicContact CG2-CG2 4.46Å; I317-V321 WeakPolarHBondContact O-CG2 3.44Å; I317-V321 PolarHBondContact O-N 3.44Å; C318-V321 PolarHBondContact O-N 2.95Å; V321-S325 WeakPolarHBondContact O-CB 3.26Å; V321-S325 PolarHBondContact O-N 2.88Å; V321-S325 PolarHBondContact O-OG 3.46Å
322	W	96	Very high	94.6	Very high	9 Å²	9	48.2 Å²	48.2	3%	0.034	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-55	175.7	-176.7	-78.7	0	0	0	111.8	F172 H229 E232 I233 R236 W237 C318 N319 H320 T324 S325 E326	F172-W322 AromaticContact CE2-CD2 3.76Å; F172-W322 HydrophobicContact CE2-CD2 3.76Å; F172-W322 AromaticContact CE2-CE3 3.53Å; F172-W322 HydrophobicContact CE2-CE3 3.53Å; F172-W322 HydrophobicContact CE2-CG 4.34Å; F172-W322 HydrophobicContact CE2-CH2 4.28Å; F172-W322 HydrophobicContact CE2-CZ2 4.44Å; F172-W322 AromaticContact CE2-CZ3 3.83Å; F172-W322 HydrophobicContact CE2-CZ3 3.83Å; F172-W322 AromaticContact CZ-CD2 3.69Å; F172-W322 HydrophobicContact CZ-CD2 3.69Å; F172-W322 AromaticContact CZ-CE2 3.67Å; F172-W322 AromaticContact CZ-CE3 3.91Å; F172-W322 HydrophobicContact CZ-CE3 3.91Å; F172-W322 HydrophobicContact CZ-CG 4.18Å; F172-W322 HydrophobicContact CZ-CH2 4.19Å; F172-W322 AromaticContact CZ-CZ2 3.95Å; F172-W322 HydrophobicContact CZ-CZ2 3.95Å; F172-W322 HydrophobicContact CZ-CZ3 4.17Å; H229-W322 AromaticContact CD2-CZ3 3.84Å; E232-W322 HydrophobicContact CB-CD2 4.33Å; E232-W322 HydrophobicContact CB-CE3 3.43Å; E232-W322 VanDerWaalsContact CB-CE3 3.43Å; E232-W322 HydrophobicContact CB-CZ3 3.9Å; E232-W322 HydrophobicContact CG-CB 4.35Å; E232-W322 HydrophobicContact CG-CE3 4.23Å; I233-W322 HydrophobicContact CG1-CH2 4.39Å; I233-W322 HydrophobicContact CG1-CZ3 4.06Å; R236-W322 VanDerWaalsContact NH1-CD1 3.27Å; R236-W322 VanDerWaalsContact NH1-NE1 3.18Å; W237-W322 AromaticContact CZ2-CH2 3.88Å; W237-W322 HydrophobicContact CZ2-CH2 3.88Å; W237-W322 HydrophobicContact CZ2-CZ2 4.37Å; C318-W322 PolarHBondContact O-N 3.43Å; N319-W322 PolarHBondContact O-N 2.74Å; H320-W322 VanDerWaalsContact C-N 3.28Å; H320-W322 PolarHBondContact O-N 2.81Å; W322-T324 PolarHBondContact O-N 2.92Å; W322-S325 WeakPolarHBondContact O-CB 3.36Å; W322-S325 PolarHBondContact O-N 3.33Å; W322-S325 VanDerWaalsContact O-N 3.1Å; W322-E326 VanDerWaalsContact CD1-OE2 3.26Å; W322-E326 PolarHBondContact NE1-OE1 3.23Å; W322-E326 PolarHBondContact NE1-OE2 2.89Å; W322-E326 VanDerWaalsContact NE1-OE2 3.14Å; W322-E326 PolarHBondContact O-N 3.3Å
323	K	95.1	Very high	94.3	Very high	124 Å²	124	49.5 Å²	49.5	54%	0.539	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-41.8	-177.6	-71.4	-176.3	177	-171.6	0	112.3	N319 H320 S325 E326 A327	N319-K323 WeakPolarHBondContact O-CG 2.92Å; N319-K323 PolarHBondContact O-N 3.35Å; H320-K323 PolarHBondContact O-N 3.47Å; K323-S325 VanDerWaalsContact C-N 3.29Å; K323-S325 PolarHBondContact O-N 3.19Å; K323-E326 PolarHBondContact O-N 3Å; K323-A327 PolarHBondContact O-N 3.05Å
324	T	93.7	Very high	93.9	Very high	16 Å²	16	47 Å²	47	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-34.7	176.4	-52.4	0	0	0	0	111.2	L212 H320 W322 A327 L328	L212-T324 HydrophobicContact CD2-CG2 3.85Å; L212-T324 HydrophobicContact CG-CG2 3.77Å; H320-T324 PolarHBondContact CE1-OG1 3.38Å; H320-T324 VanDerWaalsContact CE1-OG1 3.31Å; H320-T324 PolarHBondContact NE2-OG1 3.03Å; H320-T324 WeakPolarHBondContact O-CB 2.96Å; H320-T324 PolarHBondContact O-N 3.42Å; H320-T324 PolarHBondContact O-OG1 3.01Å; W322-T324 PolarHBondContact O-N 2.92Å; T324-A327 PolarHBondContact O-N 2.69Å; T324-L328 HydrophobicContact CG2-CD1 4.04Å; T324-L328 HydrophobicContact CG2-CG 4.36Å; T324-L328 WeakPolarHBondContact O-CB 3.5Å; T324-L328 VanDerWaalsContact O-CG 3.26Å; T324-L328 WeakPolarHBondContact O-CG 3.45Å; T324-L328 PolarHBondContact O-N 3.44Å
325	S	95.3	Very high	93.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-40.2	173.9	-55.5	0	0	0	0	112	H168 V321 W322 K323 I329	H168-S325 PolarHBondContact NE2-OG 2.97Å; V321-S325 WeakPolarHBondContact O-CB 3.26Å; V321-S325 PolarHBondContact O-N 2.88Å; V321-S325 PolarHBondContact O-OG 3.46Å; W322-S325 WeakPolarHBondContact O-CB 3.36Å; W322-S325 PolarHBondContact O-N 3.33Å; W322-S325 VanDerWaalsContact O-N 3.1Å; K323-S325 VanDerWaalsContact C-N 3.29Å; K323-S325 PolarHBondContact O-N 3.19Å; S325-I329 WeakPolarHBondContact O-CB 3.3Å; S325-I329 WeakPolarHBondContact O-CD1 3.36Å; S325-I329 VanDerWaalsContact O-CG1 3.29Å; S325-I329 WeakPolarHBondContact O-CG1 3.26Å; S325-I329 PolarHBondContact O-N 3.31Å; S325-I329 VanDerWaalsContact O-N 3.08Å
326	E	95.5	Very high	91.9	Very high	51 Å²	51	48.1 Å²	48.1	24%	0.238	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-49.2	174.6	-68.2	-174.3	127	0	0	111.6	F172 K176 W322 K323 L328 I329 D330	F172-E326 HydrophobicContact CE1-CG 3.76Å; F172-E326 HydrophobicContact CZ-CG 3.79Å; K176-E326 IonicContact NZ-OE1 2.71Å; K176-E326 PolarHBondContact NZ-OE1 3.25Å; W322-E326 VanDerWaalsContact CD1-OE2 3.26Å; W322-E326 PolarHBondContact NE1-OE1 3.23Å; W322-E326 PolarHBondContact NE1-OE2 2.89Å; W322-E326 VanDerWaalsContact NE1-OE2 3.14Å; W322-E326 PolarHBondContact O-N 3.3Å; K323-E326 PolarHBondContact O-N 3Å; E326-L328 PolarHBondContact O-N 2.96Å; E326-I329 WeakPolarHBondContact O-CB 3.44Å; E326-I329 PolarHBondContact O-N 2.9Å; E326-D330 PolarHBondContact O-N 3.01Å
327	A	93.1	Very high	90.3	Very high	47 Å²	47	48.8 Å²	48.8	39%	0.388	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-44	179.4	0	0	0	0	0	112.5	K323 T324 I329 D330 E331	K323-A327 PolarHBondContact O-N 3.05Å; T324-A327 PolarHBondContact O-N 2.69Å; A327-I329 VanDerWaalsContact C-N 3.29Å; A327-I329 PolarHBondContact O-N 3.05Å; A327-D330 PolarHBondContact O-N 3.07Å; A327-E331 PolarHBondContact O-N 3.04Å
328	L	92.7	Very high	88.2	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.042	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-32.6	177.8	-74.1	172	0	0	0	112.6	I160 L164 L169 L212 T324 E326 W332	I160-L328 HydrophobicContact CG1-CD2 4.47Å; L164-L328 HydrophobicContact CD2-CD1 4.47Å; L169-L328 HydrophobicContact CD1-CB 4.37Å; L169-L328 HydrophobicContact CD2-CB 4.3Å; L212-L328 HydrophobicContact CB-CD1 4.12Å; L212-L328 HydrophobicContact CD1-CD1 3.7Å; L212-L328 HydrophobicContact CG-CD1 3.68Å; T324-L328 HydrophobicContact CG2-CD1 4.04Å; T324-L328 HydrophobicContact CG2-CG 4.36Å; T324-L328 WeakPolarHBondContact O-CB 3.5Å; T324-L328 VanDerWaalsContact O-CG 3.26Å; T324-L328 WeakPolarHBondContact O-CG 3.45Å; T324-L328 PolarHBondContact O-N 3.44Å; E326-L328 PolarHBondContact O-N 2.96Å; L328-W332 WeakPolarHBondContact O-CB 3.5Å; L328-W332 PolarHBondContact O-N 3.48Å
329	I	94.3	Very high	87.8	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.041	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-48.4	173.6	-78	165.5	0	0	0	110	L169 F172 L173 S325 E326 A327 E331 W332 E333	L169-I329 HydrophobicContact CD2-CG1 4.35Å; F172-I329 HydrophobicContact CB-CD1 4.17Å; F172-I329 HydrophobicContact CD1-CD1 3.25Å; F172-I329 HydrophobicContact CE1-CD1 3.94Å; F172-I329 HydrophobicContact CG-CD1 4.05Å; L173-I329 HydrophobicContact CB-CD1 3.88Å; L173-I329 HydrophobicContact CB-CG1 4.4Å; L173-I329 HydrophobicContact CD1-CG2 3.88Å; L173-I329 HydrophobicContact CD2-CG2 4.45Å; S325-I329 WeakPolarHBondContact O-CB 3.3Å; S325-I329 WeakPolarHBondContact O-CD1 3.36Å; S325-I329 VanDerWaalsContact O-CG1 3.29Å; S325-I329 WeakPolarHBondContact O-CG1 3.26Å; S325-I329 PolarHBondContact O-N 3.31Å; S325-I329 VanDerWaalsContact O-N 3.08Å; E326-I329 WeakPolarHBondContact O-CB 3.44Å; E326-I329 PolarHBondContact O-N 2.9Å; A327-I329 VanDerWaalsContact C-N 3.29Å; A327-I329 PolarHBondContact O-N 3.05Å; I329-E331 VanDerWaalsContact C-N 3.26Å; I329-E331 PolarHBondContact O-N 3.19Å; I329-W332 PolarHBondContact O-N 2.74Å; I329-W332 VanDerWaalsContact O-N 3.09Å; I329-E333 HydrophobicContact CG2-CG 4.19Å; I329-E333 WeakPolarHBondContact O-CB 3.2Å; I329-E333 VanDerWaalsContact O-CG 3.25Å; I329-E333 WeakPolarHBondContact O-CG 3.42Å; I329-E333 PolarHBondContact O-N 3.45Å
330	D	93.3	Very high	87.4	Confident	102 Å²	102	62.4 Å²	62.4	55%	0.545	32%	0.324	S	S	.	.	H	α-helix	trans	-58	-42	-179.6	-65.1	-22.6	0	0	0	111	E326 A327 S334	E326-D330 PolarHBondContact O-N 3.01Å; A327-D330 PolarHBondContact O-N 3.07Å; D330-S334 WeakPolarHBondContact O-CB 3.43Å; D330-S334 PolarHBondContact O-N 2.71Å; D330-S334 VanDerWaalsContact O-N 3.1Å
331	E	91.9	Very high	87.1	Confident	98 Å²	98	62.7 Å²	62.7	46%	0.458	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-48.4	173.3	-71.8	-179.1	-170.5	0	0	112.3	A327 I329 E333 S334 F335	A327-E331 PolarHBondContact O-N 3.04Å; I329-E331 VanDerWaalsContact C-N 3.26Å; I329-E331 PolarHBondContact O-N 3.19Å; E331-E333 VanDerWaalsContact C-N 3.29Å; E331-E333 PolarHBondContact O-N 3.25Å; E331-S334 PolarHBondContact O-N 2.77Å; E331-S334 VanDerWaalsContact O-N 3.17Å; E331-S334 PolarHBondContact O-OG 3.1Å; E331-F335 PolarHBondContact O-N 3.3Å; E331-F335 VanDerWaalsContact O-N 3.08Å
332	W	91.9	Very high	86.6	Confident	13 Å²	13	66.1 Å²	66.1	5%	0.049	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-36.7	-179.1	-175.7	27.2	0	0	0	112.7	L119 E120 P122 I125 L158 I160 K165 L169 L328 I329	L119-W332 WeakPolarHBondContact O-CH2 3.39Å; E120-W332 WeakPolarHBondContact O-CZ2 3.37Å; P122-W332 HydrophobicContact CB-CD2 4.48Å; P122-W332 HydrophobicContact CG-CD2 4.14Å; P122-W332 HydrophobicContact CG-CG 4.33Å; I125-W332 HydrophobicContact CD1-CH2 4.35Å; I125-W332 HydrophobicContact CD1-CZ3 4.49Å; L158-W332 HydrophobicContact CD1-CB 4.4Å; I160-W332 HydrophobicContact CD1-CB 3.95Å; I160-W332 HydrophobicContact CD1-CG 4.13Å; K165-W332 HydrophobicContact CB-CZ2 4.49Å; K165-W332 HydrophobicContact CD-CZ2 4.14Å; K165-W332 HydrophobicContact CG-CZ2 4.32Å; L169-W332 HydrophobicContact CB-CE3 4.41Å; L169-W332 HydrophobicContact CB-CZ3 4.04Å; L328-W332 WeakPolarHBondContact O-CB 3.5Å; L328-W332 PolarHBondContact O-N 3.48Å; I329-W332 PolarHBondContact O-N 2.74Å; I329-W332 VanDerWaalsContact O-N 3.09Å
333	E	91.2	Very high	86	Confident	28 Å²	28	69.7 Å²	69.7	13%	0.131	37%	0.365	C	S	.	.	H	α-helix	trans	-70.9	-40	175.5	-67.9	-165.5	125.2	0	0	112.3	P122 R126 I329 E331 F335	P122-E333 HydrophobicContact CB-CG 3.76Å; P122-E333 HydrophobicContact CG-CG 4.41Å; R126-E333 IonicContact CZ-OE1 3.35Å; R126-E333 IonicContact CZ-OE2 3.8Å; R126-E333 IonicContact NE-OE1 2.57Å; R126-E333 PolarHBondContact NE-OE1 2.77Å; R126-E333 IonicContact NE-OE2 3.7Å; R126-E333 IonicContact NH2-OE1 2.64Å; R126-E333 PolarHBondContact NH2-OE1 3Å; R126-E333 IonicContact NH2-OE2 2.77Å; R126-E333 PolarHBondContact NH2-OE2 3.15Å; I329-E333 HydrophobicContact CG2-CG 4.19Å; I329-E333 WeakPolarHBondContact O-CB 3.2Å; I329-E333 VanDerWaalsContact O-CG 3.25Å; I329-E333 WeakPolarHBondContact O-CG 3.42Å; I329-E333 PolarHBondContact O-N 3.45Å; E331-E333 VanDerWaalsContact C-N 3.29Å; E331-E333 PolarHBondContact O-N 3.25Å; E333-F335 VanDerWaalsContact C-N 3.3Å; E333-F335 PolarHBondContact O-N 3.09Å
334	S	88	Confident	85.4	Confident	54 Å²	54	66.1 Å²	66.1	38%	0.378	35%	0.353	S	S	.	.	H	α-helix	trans	-68.3	-28.8	179.8	77.6	0	0	0	0	113.3	D330 E331 Q337	D330-S334 WeakPolarHBondContact O-CB 3.43Å; D330-S334 PolarHBondContact O-N 2.71Å; D330-S334 VanDerWaalsContact O-N 3.1Å; E331-S334 PolarHBondContact O-N 2.77Å; E331-S334 VanDerWaalsContact O-N 3.17Å; E331-S334 PolarHBondContact O-OG 3.1Å; S334-Q337 PolarHBondContact O-N 3.32Å
335	F	82.6	Confident	84.8	Confident	91 Å²	91	69.6 Å²	69.6	40%	0.399	37%	0.371	S	S	.	.	H	α-helix	trans	-68.1	-40.5	-177.5	-173.3	-105.6	0	0	0	112.8	E157 L158 E331 E333 Q337 K338	E157-F335 HydrophobicContact CB-CE1 4.49Å; E157-F335 HydrophobicContact CB-CZ 3.89Å; E157-F335 HydrophobicContact CG-CZ 4.49Å; L158-F335 HydrophobicContact CD1-CB 3.7Å; L158-F335 HydrophobicContact CD1-CD1 4.13Å; L158-F335 HydrophobicContact CD1-CD2 4.46Å; L158-F335 HydrophobicContact CD1-CG 3.86Å; L158-F335 HydrophobicContact CD2-CB 3.94Å; L158-F335 HydrophobicContact CD2-CD1 4.46Å; L158-F335 HydrophobicContact CD2-CD2 3.42Å; L158-F335 VanDerWaalsContact CD2-CD2 3.42Å; L158-F335 HydrophobicContact CD2-CE2 3.98Å; L158-F335 HydrophobicContact CD2-CG 3.69Å; L158-F335 HydrophobicContact CG-CB 4.19Å; L158-F335 HydrophobicContact CG-CD1 4.18Å; L158-F335 HydrophobicContact CG-CD2 4.02Å; L158-F335 HydrophobicContact CG-CE2 4.43Å; L158-F335 HydrophobicContact CG-CG 3.87Å; E331-F335 PolarHBondContact O-N 3.3Å; E331-F335 VanDerWaalsContact O-N 3.08Å; E333-F335 VanDerWaalsContact C-N 3.3Å; E333-F335 PolarHBondContact O-N 3.09Å; F335-Q337 PolarHBondContact O-N 3.07Å; F335-K338 PolarHBondContact O-N 2.94Å
336	G	66.6	Low	84	Confident	68 Å²	68	75 Å²	75	70%	0.701	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.9	179.8	0	0	0	0	0	115
337	Q	60	Low	83.1	Confident	171 Å²	171	77 Å²	77	80%	0.799	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-11.7	177.4	-65	-175.2	-0.1	0	0	113.6	S334 F335	S334-Q337 PolarHBondContact O-N 3.32Å; F335-Q337 PolarHBondContact O-N 3.07Å
338	K	51.1	Low	82.1	Confident	236 Å²	236	79.7 Å²	79.7	100%	1.026	42%	0.415	S	S	*	.			trans	-89.3	0	176.2	-70	-178.9	-178.5	174.1	0	111.1	F335	F335-K338 PolarHBondContact O-N 2.94Å

Retrieved 338 of 338 residues in 434.4 ms (Link to these results)

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