A0A077Z9V1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9V1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 207 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	34.5	Very low	38.2	Very low	232 Å²	232	114.8 Å²	114.8	100%	1.143	57%	0.572	S	S	*	*				0	109.7	0	-87.9	168.3	159.3	0	0	105.8	E3	M1-E3 PolarHBondContact O-N 2.82Å
2	N	33.7	Very low	39.3	Very low	119 Å²	119	109.1 Å²	109.1	64%	0.636	54%	0.542	S	S	*	.			trans	-83.4	99.3	177.9	-79.3	-6.3	0	0	0	107.9	D4 L5	N2-D4 PolarHBondContact O-N 3.3Å; N2-L5 HydrophobicContact CB-CB 4.14Å; N2-L5 WeakPolarHBondContact O-CB 3.48Å; N2-L5 PolarHBondContact O-N 3.48Å
3	E	32.7	Very low	40	Very low	163 Å²	163	106.2 Å²	106.2	76%	0.762	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.1	174.8	-69.4	-178.3	159.4	0	0	111.4	M1 L5 F6	M1-E3 PolarHBondContact O-N 2.82Å; E3-L5 PolarHBondContact O-N 2.85Å; E3-L5 VanDerWaalsContact O-N 3.11Å; E3-F6 PolarHBondContact O-N 3.42Å
4	D	33.2	Very low	40.8	Very low	134 Å²	134	106.3 Å²	106.3	72%	0.717	52%	0.522	S	S	*	.	H	α-helix	trans	-59.7	-24.6	174.7	-63.7	-29.5	0	0	0	113.2	N2 F6	N2-D4 PolarHBondContact O-N 3.3Å; D4-F6 VanDerWaalsContact C-N 3.29Å; D4-F6 PolarHBondContact O-N 3.16Å
5	L	29.4	Very low	41.5	Very low	78 Å²	78	99.3 Å²	99.3	41%	0.408	49%	0.488	S	S	.	.	H	α-helix	trans	-73.6	-21.8	-176.7	-142.2	90.6	0	0	0	113.4	N2 E3 K169	N2-L5 HydrophobicContact CB-CB 4.14Å; N2-L5 WeakPolarHBondContact O-CB 3.48Å; N2-L5 PolarHBondContact O-N 3.48Å; E3-L5 PolarHBondContact O-N 2.85Å; E3-L5 VanDerWaalsContact O-N 3.11Å; L5-K169 HydrophobicContact CD2-CD 4.31Å
6	F	26.6	Very low	42.2	Very low	118 Å²	118	97.3 Å²	97.3	52%	0.518	48%	0.48	S	S	.	.	H	α-helix	trans	-83.6	-35.3	-178.8	-75.1	-87.8	0	0	0	111.7	E3 D4 D8	E3-F6 PolarHBondContact O-N 3.42Å; D4-F6 VanDerWaalsContact C-N 3.29Å; D4-F6 PolarHBondContact O-N 3.16Å; F6-D8 PolarHBondContact O-N 3.13Å
7	V	34.9	Very low	42.6	Very low	75 Å²	75	98.9 Å²	98.9	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-68.5	-35.9	-174.1	-176.6	0	0	0	0	112.4
8	D	47.1	Very low	43.1	Very low	70 Å²	70	96.5 Å²	96.5	37%	0.374	47%	0.47	S	S	.	.	H	α-helix	trans	-70.2	-33.6	-177.2	-81.2	-17.3	0	0	0	113.4	F6 R11 E12	F6-D8 PolarHBondContact O-N 3.13Å; D8-R11 PolarHBondContact O-N 3.37Å; D8-E12 PolarHBondContact O-N 3.21Å
9	N	47.9	Very low	43.8	Very low	53 Å²	53	92.1 Å²	92.1	28%	0.283	45%	0.449	S	S	.	.	H	α-helix	trans	-74.5	-37.3	-178.4	-84.1	12.2	0	0	0	112.1	R11 E12 E13	N9-R11 PolarHBondContact O-N 3.46Å; N9-E12 PolarHBondContact O-N 3.05Å; N9-E12 VanDerWaalsContact O-N 3.15Å; N9-E13 WeakPolarHBondContact O-CG 3.35Å; N9-E13 PolarHBondContact O-N 2.76Å
10	D	50	Low	44.4	Very low	103 Å²	103	88.1 Å²	88.1	55%	0.551	43%	0.43	S	S	*	.	H	α-helix	trans	-61	-31.3	177.7	-68.1	-12.9	0	0	0	110.9	F14	D10-F14 VanDerWaalsContact O-CB 3.31Å; D10-F14 WeakPolarHBondContact O-CB 3.24Å; D10-F14 PolarHBondContact O-N 3.23Å
11	R	50.6	Low	44.7	Very low	118 Å²	118	89.1 Å²	89.1	45%	0.445	43%	0.434	S	S	.	.	H	α-helix	trans	-73.6	-38.7	176.1	-62	-178.1	-176.9	-166.1	1.5	113.1	D8 N9 E13 F14 A15 M50	D8-R11 PolarHBondContact O-N 3.37Å; N9-R11 PolarHBondContact O-N 3.46Å; R11-E13 VanDerWaalsContact C-N 3.35Å; R11-F14 PolarHBondContact O-N 2.83Å; R11-A15 VanDerWaalsContact O-CB 3.28Å; R11-A15 WeakPolarHBondContact O-CB 3.4Å; R11-A15 PolarHBondContact O-N 3.16Å; R11-M50 HydrophobicContact CB-CB 4.21Å; R11-M50 WeakPolarHBondContact CB-O 3.17Å; R11-M50 WeakPolarHBondContact CD-O 3.25Å
12	E	50.6	Low	45.7	Very low	46 Å²	46	80.2 Å²	80.2	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-61.6	-45.2	172.7	-174.5	-175.1	176.6	0	0	110.9	D8 N9 A15 L16 L51 Q55	D8-E12 PolarHBondContact O-N 3.21Å; N9-E12 PolarHBondContact O-N 3.05Å; N9-E12 VanDerWaalsContact O-N 3.15Å; E12-A15 PolarHBondContact O-N 2.75Å; E12-L16 HydrophobicContact CG-CD1 4.35Å; E12-L16 PolarHBondContact O-N 2.9Å; E12-L51 HydrophobicContact CB-CD2 3.96Å; E12-L51 HydrophobicContact CG-CD2 4.01Å; E12-Q55 VanDerWaalsContact CD-NE2 3.35Å; E12-Q55 PolarHBondContact OE2-NE2 3.11Å
13	E	49.5	Very low	46.7	Very low	71 Å²	71	74.9 Å²	74.9	33%	0.332	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-45	176.3	-69.7	-179.7	-177.1	0	0	111.2	N9 R11 F17 W176	N9-E13 WeakPolarHBondContact O-CG 3.35Å; N9-E13 PolarHBondContact O-N 2.76Å; R11-E13 VanDerWaalsContact C-N 3.35Å; E13-F17 WeakPolarHBondContact O-CB 3.32Å; E13-F17 PolarHBondContact O-N 3.04Å; E13-W176 PolarHBondContact OE1-NE1 3.31Å
14	F	50	Low	47.6	Very low	108 Å²	108	69 Å²	69	47%	0.474	34%	0.335	S	S	.	.	H	α-helix	trans	-66.3	-40	177.9	-165.9	-87.3	0	0	0	112.4	D10 R11 F17 F18 M50	D10-F14 VanDerWaalsContact O-CB 3.31Å; D10-F14 WeakPolarHBondContact O-CB 3.24Å; D10-F14 PolarHBondContact O-N 3.23Å; R11-F14 PolarHBondContact O-N 2.83Å; F14-F17 PolarHBondContact O-N 2.96Å; F14-F18 HydrophobicContact CE1-CD2 4.49Å; F14-F18 VanDerWaalsContact O-CB 3.22Å; F14-F18 WeakPolarHBondContact O-CB 3.42Å; F14-F18 PolarHBondContact O-N 2.8Å; F14-M50 HydrophobicContact CD1-CE 3.59Å; F14-M50 HydrophobicContact CD1-SD 3.5Å; F14-M50 VanDerWaalsContact CD1-SD 3.5Å; F14-M50 HydrophobicContact CE1-CE 3.59Å; F14-M50 HydrophobicContact CE1-SD 4.04Å
15	A	51.5	Low	48.5	Very low	1 Å²	1	64 Å²	64	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-62.1	-46.7	176.8	0	0	0	0	0	112.3	R11 E12 F18 M19 V47 M50 L51	R11-A15 VanDerWaalsContact O-CB 3.28Å; R11-A15 WeakPolarHBondContact O-CB 3.4Å; R11-A15 PolarHBondContact O-N 3.16Å; E12-A15 PolarHBondContact O-N 2.75Å; A15-F18 PolarHBondContact O-N 2.66Å; A15-M19 WeakPolarHBondContact O-CG 3.46Å; A15-M19 PolarHBondContact O-N 2.94Å; A15-V47 HydrophobicContact CB-CG1 3.92Å; A15-V47 HydrophobicContact CB-CG2 4.48Å; A15-M50 HydrophobicContact CB-CB 4.47Å; A15-L51 HydrophobicContact CB-CD1 4.42Å; A15-L51 HydrophobicContact CB-CD2 3.89Å; A15-L51 HydrophobicContact CB-CG 4.04Å
16	L	52.8	Low	49.7	Very low	68 Å²	68	60.6 Å²	60.6	36%	0.356	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-45.2	175.5	-83.3	162.7	0	0	0	111.5	E12 F18 M19 V20 W85	E12-L16 HydrophobicContact CG-CD1 4.35Å; E12-L16 PolarHBondContact O-N 2.9Å; L16-F18 VanDerWaalsContact C-N 3.3Å; L16-F18 PolarHBondContact O-N 3.25Å; L16-M19 HydrophobicContact CD2-CE 3.94Å; L16-M19 HydrophobicContact CG-CE 4.3Å; L16-M19 PolarHBondContact O-N 3.5Å; L16-V20 WeakPolarHBondContact O-CB 3.39Å; L16-V20 WeakPolarHBondContact O-CG2 3.2Å; L16-V20 PolarHBondContact O-N 3.07Å; L16-W85 HydrophobicContact CD2-CZ2 3.87Å
17	F	49.9	Very low	50.7	Low	124 Å²	124	58.7 Å²	58.7	54%	0.544	29%	0.286	S	S	.	.	H	α-helix	trans	-59.4	-44	176	-172.8	-95	0	0	0	111.2	E13 F14 V20 H21	E13-F17 WeakPolarHBondContact O-CB 3.32Å; E13-F17 PolarHBondContact O-N 3.04Å; F14-F17 PolarHBondContact O-N 2.96Å; F17-V20 PolarHBondContact O-N 3.43Å; F17-H21 AromaticContact CE1-CD2 3.9Å; F17-H21 VanDerWaalsContact O-CB 3.26Å; F17-H21 WeakPolarHBondContact O-CB 3.25Å; F17-H21 PolarHBondContact O-N 3.25Å
18	F	51.4	Low	51.6	Low	56 Å²	56	63.3 Å²	63.3	25%	0.246	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-45.2	178	-168.8	-101	0	0	0	111.9	F14 A15 L16 H21 M22 I46 V47	F14-F18 HydrophobicContact CE1-CD2 4.49Å; F14-F18 VanDerWaalsContact O-CB 3.22Å; F14-F18 WeakPolarHBondContact O-CB 3.42Å; F14-F18 PolarHBondContact O-N 2.8Å; A15-F18 PolarHBondContact O-N 2.66Å; L16-F18 VanDerWaalsContact C-N 3.3Å; L16-F18 PolarHBondContact O-N 3.25Å; F18-H21 PolarHBondContact O-N 3.41Å; F18-M22 HydrophobicContact CD1-CG 4.23Å; F18-M22 HydrophobicContact CE1-CG 4Å; F18-M22 HydrophobicContact CZ-CG 4.36Å; F18-M22 HydrophobicContact CZ-SD 4.47Å; F18-M22 WeakPolarHBondContact O-CB 3.44Å; F18-M22 WeakPolarHBondContact O-CG 3.34Å; F18-M22 PolarHBondContact O-N 3.09Å; F18-I46 HydrophobicContact CE1-CD1 4.47Å; F18-I46 HydrophobicContact CZ-CD1 4.39Å; F18-V47 HydrophobicContact CD1-CG2 4.11Å
19	M	57	Low	52	Low	12 Å²	12	67 Å²	67	6%	0.059	32%	0.316	C	S	.	.	H	α-helix	trans	-59.9	-48.6	174.9	-74.6	-170.8	-71.9	0	0	111.4	A15 L16 H21 M22 L23 V47 A59 V63 W85	A15-M19 WeakPolarHBondContact O-CG 3.46Å; A15-M19 PolarHBondContact O-N 2.94Å; L16-M19 HydrophobicContact CD2-CE 3.94Å; L16-M19 HydrophobicContact CG-CE 4.3Å; L16-M19 PolarHBondContact O-N 3.5Å; M19-H21 VanDerWaalsContact C-N 3.31Å; M19-H21 PolarHBondContact O-N 3.36Å; M19-M22 WeakPolarHBondContact O-CB 3.38Å; M19-M22 PolarHBondContact O-N 2.82Å; M19-L23 VanDerWaalsContact O-CG 3.25Å; M19-L23 WeakPolarHBondContact O-CG 3.46Å; M19-L23 PolarHBondContact O-N 3.47Å; M19-V47 HydrophobicContact CE-CG1 4.25Å; M19-V47 HydrophobicContact CG-CG2 3.79Å; M19-V47 HydrophobicContact SD-CG1 4.19Å; M19-V47 HydrophobicContact SD-CG2 4.46Å; M19-A59 HydrophobicContact CE-CB 4.36Å; M19-V63 HydrophobicContact SD-CG2 3.5Å; M19-V63 VanDerWaalsContact SD-CG2 3.5Å; M19-W85 HydrophobicContact CE-CH2 4.45Å
20	V	54	Low	52.2	Low	13 Å²	13	72 Å²	72	8%	0.079	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-41.3	177.5	169.9	0	0	0	0	111.6	L16 F17 M22 L23 L24 W82 W183	L16-V20 WeakPolarHBondContact O-CB 3.39Å; L16-V20 WeakPolarHBondContact O-CG2 3.2Å; L16-V20 PolarHBondContact O-N 3.07Å; F17-V20 PolarHBondContact O-N 3.43Å; V20-M22 VanDerWaalsContact C-N 3.33Å; V20-M22 PolarHBondContact O-N 2.83Å; V20-L23 WeakPolarHBondContact O-CB 3.32Å; V20-L23 PolarHBondContact O-N 3.46Å; V20-L24 HydrophobicContact CG1-CD1 4.16Å; V20-L24 WeakPolarHBondContact O-CG 3.01Å; V20-L24 PolarHBondContact O-N 2.77Å; V20-W82 HydrophobicContact CB-CH2 4.33Å; V20-W82 HydrophobicContact CB-CZ3 4.46Å; V20-W82 HydrophobicContact CG1-CH2 3.67Å; V20-W82 HydrophobicContact CG1-CZ3 4.05Å; V20-W82 HydrophobicContact CG2-CH2 3.83Å; V20-W82 HydrophobicContact CG2-CZ3 4.05Å; V20-W183 HydrophobicContact CG1-CH2 3.87Å; V20-W183 HydrophobicContact CG1-CZ3 3.62Å
21	H	52.5	Low	52.5	Low	110 Å²	110	70.3 Å²	70.3	51%	0.509	33%	0.332	S	S	.	.	H	α-helix	trans	-65.9	-37.2	178.3	-156	-63.2	0	0	0	111.8	F17 F18 M19 A25	F17-H21 AromaticContact CE1-CD2 3.9Å; F17-H21 VanDerWaalsContact O-CB 3.26Å; F17-H21 WeakPolarHBondContact O-CB 3.25Å; F17-H21 PolarHBondContact O-N 3.25Å; F18-H21 PolarHBondContact O-N 3.41Å; M19-H21 VanDerWaalsContact C-N 3.31Å; M19-H21 PolarHBondContact O-N 3.36Å; H21-A25 VanDerWaalsContact O-CB 3.26Å; H21-A25 WeakPolarHBondContact O-CB 3.4Å; H21-A25 PolarHBondContact O-N 2.9Å
22	M	55.2	Low	53.1	Low	45 Å²	45	69.8 Å²	69.8	22%	0.222	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-45.6	171.7	-75.1	-68.6	-59.3	0	0	111.6	F18 M19 V20 L24 A25 S26 S43	F18-M22 HydrophobicContact CD1-CG 4.23Å; F18-M22 HydrophobicContact CE1-CG 4Å; F18-M22 HydrophobicContact CZ-CG 4.36Å; F18-M22 HydrophobicContact CZ-SD 4.47Å; F18-M22 WeakPolarHBondContact O-CB 3.44Å; F18-M22 WeakPolarHBondContact O-CG 3.34Å; F18-M22 PolarHBondContact O-N 3.09Å; M19-M22 WeakPolarHBondContact O-CB 3.38Å; M19-M22 PolarHBondContact O-N 2.82Å; V20-M22 VanDerWaalsContact C-N 3.33Å; V20-M22 PolarHBondContact O-N 2.83Å; M22-L24 VanDerWaalsContact C-N 3.29Å; M22-L24 PolarHBondContact O-N 3.39Å; M22-A25 PolarHBondContact O-N 3.23Å; M22-S26 PolarHBondContact O-N 3.49Å; M22-S26 PolarHBondContact O-OG 2.76Å; M22-S43 WeakPolarHBondContact CE-OG 3.4Å
23	L	53.9	Low	53.2	Low	7 Å²	7	68 Å²	68	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-55.8	-44.1	176.1	-68.3	173.4	0	0	0	111.5	M19 V20 K27 F36 L40 M66 W82	M19-L23 VanDerWaalsContact O-CG 3.25Å; M19-L23 WeakPolarHBondContact O-CG 3.46Å; M19-L23 PolarHBondContact O-N 3.47Å; V20-L23 WeakPolarHBondContact O-CB 3.32Å; V20-L23 PolarHBondContact O-N 3.46Å; L23-K27 PolarHBondContact O-N 3.01Å; L23-K27 VanDerWaalsContact O-N 3.09Å; L23-F36 HydrophobicContact CD2-CE1 4.36Å; L23-F36 HydrophobicContact CD2-CE2 3.21Å; L23-F36 HydrophobicContact CD2-CZ 3.09Å; L23-F36 HydrophobicContact CG-CE2 4.34Å; L23-F36 HydrophobicContact CG-CZ 4.5Å; L23-L40 HydrophobicContact CD2-CD1 4.25Å; L23-M66 HydrophobicContact CD2-SD 4.33Å; L23-W82 HydrophobicContact CB-CZ3 4.45Å; L23-W82 HydrophobicContact CD1-CE3 3.93Å; L23-W82 HydrophobicContact CD1-CZ3 3.69Å
24	L	51.4	Low	53.6	Low	39 Å²	39	69.3 Å²	69.3	20%	0.204	34%	0.339	C	S	.	.	H	α-helix	trans	-74.4	-41.3	179.9	-71.3	173.6	0	0	0	113.3	V20 M22 S26 K27 E28 W183 V187	V20-L24 HydrophobicContact CG1-CD1 4.16Å; V20-L24 WeakPolarHBondContact O-CG 3.01Å; V20-L24 PolarHBondContact O-N 2.77Å; M22-L24 VanDerWaalsContact C-N 3.29Å; M22-L24 PolarHBondContact O-N 3.39Å; L24-S26 PolarHBondContact O-N 2.77Å; L24-K27 WeakPolarHBondContact O-CA 3.44Å; L24-K27 WeakPolarHBondContact O-CB 3.14Å; L24-K27 PolarHBondContact O-N 2.84Å; L24-E28 PolarHBondContact O-N 2.75Å; L24-W183 HydrophobicContact CD1-CH2 3.09Å; L24-W183 HydrophobicContact CD1-CZ2 3.87Å; L24-W183 HydrophobicContact CD1-CZ3 3.78Å; L24-V187 HydrophobicContact CD2-CG1 4.49Å
25	A	53.4	Low	54.2	Low	30 Å²	30	67.4 Å²	67.4	25%	0.248	34%	0.338	C	S	.	.	H	α-helix	trans	-59.9	-35.5	176	0	0	0	0	0	111.5	H21 M22 K29	H21-A25 VanDerWaalsContact O-CB 3.26Å; H21-A25 WeakPolarHBondContact O-CB 3.4Å; H21-A25 PolarHBondContact O-N 2.9Å; M22-A25 PolarHBondContact O-N 3.23Å; A25-K29 WeakPolarHBondContact O-CG 3.16Å; A25-K29 PolarHBondContact O-N 3.01Å
26	S	52.8	Low	54.6	Low	5 Å²	5	67.5 Å²	67.5	4%	0.035	34%	0.338	C	S	.	.	H	α-helix	trans	-73.2	-33.5	173.5	-67.4	0	0	0	0	113.1	M22 L24 Q31	M22-S26 PolarHBondContact O-N 3.49Å; M22-S26 PolarHBondContact O-OG 2.76Å; L24-S26 PolarHBondContact O-N 2.77Å; S26-Q31 PolarHBondContact O-N 3.35Å; S26-Q31 PolarHBondContact OG-OE1 3.4Å
27	K	48.8	Very low	54.8	Low	78 Å²	78	64.5 Å²	64.5	34%	0.339	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-46.2	172.3	-175.7	-179.7	178.6	169.9	0	111.8	L23 L24 K29 D30 V78 E79	L23-K27 PolarHBondContact O-N 3.01Å; L23-K27 VanDerWaalsContact O-N 3.09Å; L24-K27 WeakPolarHBondContact O-CA 3.44Å; L24-K27 WeakPolarHBondContact O-CB 3.14Å; L24-K27 PolarHBondContact O-N 2.84Å; K27-K29 VanDerWaalsContact C-N 3.28Å; K27-K29 PolarHBondContact O-N 3.34Å; K27-D30 PolarHBondContact O-N 2.86Å; K27-V78 HydrophobicContact CB-CG1 4.49Å; K27-E79 WeakPolarHBondContact CE-OE1 3.47Å; K27-E79 IonicContact NZ-OE1 2.97Å; K27-E79 PolarHBondContact NZ-OE1 3Å
28	E	53.2	Low	55.5	Low	173 Å²	173	60.9 Å²	60.9	81%	0.808	32%	0.316	S	S	*	.	H	α-helix	trans	-66.1	-30.9	-178.7	-74.7	-173.4	165.9	0	0	113.1	L24 D30	L24-E28 PolarHBondContact O-N 2.75Å; E28-D30 VanDerWaalsContact C-N 3.26Å; E28-D30 PolarHBondContact O-N 3.41Å
29	K	55.3	Low	56.2	Low	146 Å²	146	58.9 Å²	58.9	64%	0.635	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	1.9	-177.8	-71.1	-180	-179.6	178.2	0	114.1	A25 K27 Q31	A25-K29 WeakPolarHBondContact O-CG 3.16Å; A25-K29 PolarHBondContact O-N 3.01Å; K27-K29 VanDerWaalsContact C-N 3.28Å; K27-K29 PolarHBondContact O-N 3.34Å; K29-Q31 HydrophobicContact CB-CB 4.45Å; K29-Q31 HydrophobicContact CB-CG 3.74Å; K29-Q31 PolarHBondContact O-N 3.24Å
30	D	53.5	Low	56.4	Low	159 Å²	159	58.6 Å²	58.6	85%	0.85	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	37.2	-172.1	-139.7	11.5	0	0	0	110.8	K27 E28 D32	K27-D30 PolarHBondContact O-N 2.86Å; E28-D30 VanDerWaalsContact C-N 3.26Å; E28-D30 PolarHBondContact O-N 3.41Å; D30-D32 PolarHBondContact O-N 2.94Å
31	Q	55.7	Low	56.8	Low	68 Å²	68	60.8 Å²	60.8	32%	0.318	33%	0.326	S	S	.	.			trans	-69.7	132.6	-174.6	-92.6	176.9	-20.6	0	0	109.4	S26 K29 C35	S26-Q31 PolarHBondContact O-N 3.35Å; S26-Q31 PolarHBondContact OG-OE1 3.4Å; K29-Q31 HydrophobicContact CB-CB 4.45Å; K29-Q31 HydrophobicContact CB-CG 3.74Å; K29-Q31 PolarHBondContact O-N 3.24Å; Q31-C35 HydrophobicContact CB-CB 4.15Å; Q31-C35 HydrophobicContact CG-CB 4.15Å
32	D	61.7	Low	57.4	Low	106 Å²	106	62.8 Å²	62.8	57%	0.567	34%	0.336	S	S	*	.			trans	-57.4	146.2	171.8	-163.5	-3.4	0	0	0	109.9	D30 L34 C35 F36	D30-D32 PolarHBondContact O-N 2.94Å; D32-L34 PolarHBondContact O-N 2.9Å; D32-C35 WeakPolarHBondContact O-CB 3.41Å; D32-C35 PolarHBondContact O-N 2.94Å; D32-F36 PolarHBondContact O-N 3.07Å; D32-F36 VanDerWaalsContact O-N 3.15Å
33	C	54	Low	57.6	Low	10 Å²	10	61.2 Å²	61.2	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-55.7	-27.3	-172.4	-76.4	0	0	0	0	113.2	F36 S37 A70 I75	C33-F36 WeakPolarHBondContact O-CB 3.48Å; C33-F36 PolarHBondContact O-N 3.46Å; C33-S37 WeakPolarHBondContact O-CB 3.3Å; C33-S37 PolarHBondContact O-N 3.43Å; C33-A70 HydrophobicContact CB-CB 4.03Å; C33-I75 PolarHBondContact SG-O 3.15Å
34	L	56.8	Low	57.9	Low	97 Å²	97	62 Å²	62	51%	0.508	33%	0.334	S	S	.	.	H	α-helix	trans	-67.8	-40.8	173.3	-79	162.3	0	0	0	113.1	D32 F36 S37 A38	D32-L34 PolarHBondContact O-N 2.9Å; L34-F36 VanDerWaalsContact C-N 3.29Å; L34-S37 PolarHBondContact O-N 3.43Å; L34-S37 PolarHBondContact O-OG 3.31Å; L34-A38 WeakPolarHBondContact O-CB 3.34Å; L34-A38 PolarHBondContact O-N 3.12Å
35	C	63	Low	58.5	Low	69 Å²	69	62.8 Å²	62.8	47%	0.466	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-38.6	174.6	-69.7	0	0	0	0	110.6	Q31 D32 G39	Q31-C35 HydrophobicContact CB-CB 4.15Å; Q31-C35 HydrophobicContact CG-CB 4.15Å; D32-C35 WeakPolarHBondContact O-CB 3.41Å; D32-C35 PolarHBondContact O-N 2.94Å; C35-G39 PolarHBondContact O-N 2.9Å
36	F	60.4	Low	58.8	Low	2 Å²	2	64.9 Å²	64.9	1%	0.009	35%	0.352	C	S	.	.	H	α-helix	trans	-61.3	-48.9	173.3	169	-103.2	0	0	0	111.6	L23 D32 C33 L34 A38 G39 L40 A70	L23-F36 HydrophobicContact CD2-CE1 4.36Å; L23-F36 HydrophobicContact CD2-CE2 3.21Å; L23-F36 HydrophobicContact CD2-CZ 3.09Å; L23-F36 HydrophobicContact CG-CE2 4.34Å; L23-F36 HydrophobicContact CG-CZ 4.5Å; D32-F36 PolarHBondContact O-N 3.07Å; D32-F36 VanDerWaalsContact O-N 3.15Å; C33-F36 WeakPolarHBondContact O-CB 3.48Å; C33-F36 PolarHBondContact O-N 3.46Å; L34-F36 VanDerWaalsContact C-N 3.29Å; F36-A38 VanDerWaalsContact C-N 3.34Å; F36-A38 PolarHBondContact O-N 2.98Å; F36-G39 PolarHBondContact O-N 3.25Å; F36-L40 HydrophobicContact CE1-CD2 4.05Å; F36-L40 HydrophobicContact CE2-CD1 3.73Å; F36-L40 HydrophobicContact CZ-CD1 3.7Å; F36-L40 HydrophobicContact CZ-CD2 3.76Å; F36-L40 HydrophobicContact CZ-CG 4.28Å; F36-L40 WeakPolarHBondContact O-CB 3.43Å; F36-L40 PolarHBondContact O-N 3.4Å; F36-A70 HydrophobicContact CD1-CB 4.37Å
37	S	57.7	Low	58.8	Low	5 Å²	5	64.7 Å²	64.7	4%	0.035	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-37.6	-179.7	71	0	0	0	0	112.8	C33 L34 L40 S41	C33-S37 WeakPolarHBondContact O-CB 3.3Å; C33-S37 PolarHBondContact O-N 3.43Å; L34-S37 PolarHBondContact O-N 3.43Å; L34-S37 PolarHBondContact O-OG 3.31Å; S37-L40 PolarHBondContact O-N 3.3Å; S37-S41 WeakPolarHBondContact O-CB 3.24Å; S37-S41 PolarHBondContact O-N 3.49Å; S37-S41 PolarHBondContact O-OG 2.88Å
38	A	64.2	Low	59.4	Low	48 Å²	48	62.8 Å²	62.8	40%	0.397	34%	0.343	S	S	.	.	H	α-helix	trans	-62.3	-49.6	173.5	0	0	0	0	0	111.3	L34 F36 L40 S41 E42	L34-A38 WeakPolarHBondContact O-CB 3.34Å; L34-A38 PolarHBondContact O-N 3.12Å; F36-A38 VanDerWaalsContact C-N 3.34Å; F36-A38 PolarHBondContact O-N 2.98Å; A38-L40 VanDerWaalsContact C-N 3.3Å; A38-L40 PolarHBondContact O-N 3.26Å; A38-S41 PolarHBondContact O-N 2.74Å; A38-S41 VanDerWaalsContact O-N 3.17Å; A38-E42 PolarHBondContact O-N 2.97Å
39	G	64.8	Low	59.8	Low	15 Å²	15	62 Å²	62	16%	0.155	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-36	177.6	0	0	0	0	0	113	C35 F36 S43	C35-G39 PolarHBondContact O-N 2.9Å; F36-G39 PolarHBondContact O-N 3.25Å; G39-S43 VanDerWaalsContact O-CB 3.24Å; G39-S43 WeakPolarHBondContact O-CB 3.05Å; G39-S43 PolarHBondContact O-N 3.3Å; G39-S43 PolarHBondContact O-OG 3.03Å
40	L	61.6	Low	59.7	Low	5 Å²	5	57.5 Å²	57.5	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-42.1	174.9	-143	74.3	0	0	0	111.2	L23 F36 S37 A38 S43 I44 V63 M66 V67	L23-L40 HydrophobicContact CD2-CD1 4.25Å; F36-L40 HydrophobicContact CE1-CD2 4.05Å; F36-L40 HydrophobicContact CE2-CD1 3.73Å; F36-L40 HydrophobicContact CZ-CD1 3.7Å; F36-L40 HydrophobicContact CZ-CD2 3.76Å; F36-L40 HydrophobicContact CZ-CG 4.28Å; F36-L40 WeakPolarHBondContact O-CB 3.43Å; F36-L40 PolarHBondContact O-N 3.4Å; S37-L40 PolarHBondContact O-N 3.3Å; A38-L40 VanDerWaalsContact C-N 3.3Å; A38-L40 PolarHBondContact O-N 3.26Å; L40-S43 PolarHBondContact O-N 2.77Å; L40-I44 WeakPolarHBondContact O-CB 3.49Å; L40-I44 PolarHBondContact O-N 2.85Å; L40-V63 HydrophobicContact CB-CG1 4.49Å; L40-V63 HydrophobicContact CD2-CB 4.46Å; L40-V63 HydrophobicContact CD2-CG1 3.57Å; L40-V63 HydrophobicContact CG-CG1 3.73Å; L40-M66 HydrophobicContact CD2-CB 4.15Å; L40-M66 HydrophobicContact CD2-CE 4.21Å; L40-V67 HydrophobicContact CB-CG2 4.3Å; L40-V67 HydrophobicContact CD2-CG2 4.09Å
41	S	62	Low	59.7	Low	60 Å²	60	50.4 Å²	50.4	42%	0.42	28%	0.283	S	S	.	.	H	α-helix	trans	-66.4	-34.6	177.9	-59.9	0	0	0	0	112.5	S37 A38 I44	S37-S41 WeakPolarHBondContact O-CB 3.24Å; S37-S41 PolarHBondContact O-N 3.49Å; S37-S41 PolarHBondContact O-OG 2.88Å; A38-S41 PolarHBondContact O-N 2.74Å; A38-S41 VanDerWaalsContact O-N 3.17Å; S41-I44 WeakPolarHBondContact O-CG2 3.41Å
42	E	65.1	Low	59.6	Low	151 Å²	151	49.1 Å²	49.1	71%	0.706	28%	0.282	S	S	*	.	H	α-helix	trans	-70.4	-41.4	172	-72.5	177	-179.1	0	0	111.3	A38 I44	A38-E42 PolarHBondContact O-N 2.97Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 2.93Å
43	S	60.8	Low	59.5	Low	12 Å²	12	49.9 Å²	49.9	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-70.8	-28.1	-178.6	-64.7	0	0	0	0	113.4	M22 G39 L40 A45 I46 V47	M22-S43 WeakPolarHBondContact CE-OG 3.4Å; G39-S43 VanDerWaalsContact O-CB 3.24Å; G39-S43 WeakPolarHBondContact O-CB 3.05Å; G39-S43 PolarHBondContact O-N 3.3Å; G39-S43 PolarHBondContact O-OG 3.03Å; L40-S43 PolarHBondContact O-N 2.77Å; S43-A45 PolarHBondContact O-N 2.79Å; S43-I46 WeakPolarHBondContact O-CB 3.11Å; S43-I46 PolarHBondContact O-N 3.32Å; S43-I46 VanDerWaalsContact O-N 3.14Å; S43-V47 WeakPolarHBondContact O-CG2 3.24Å; S43-V47 PolarHBondContact O-N 3.43Å
44	I	60.3	Low	59.4	Low	25 Å²	25	54.8 Å²	54.8	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-34.6	-177	-151.7	176.8	0	0	0	111.2	L40 S41 E42 I46 V47 M48 L60 V63	L40-I44 WeakPolarHBondContact O-CB 3.49Å; L40-I44 PolarHBondContact O-N 2.85Å; S41-I44 WeakPolarHBondContact O-CG2 3.41Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 2.93Å; I44-I46 VanDerWaalsContact C-N 3.31Å; I44-I46 PolarHBondContact O-N 3.19Å; I44-V47 PolarHBondContact O-N 3.04Å; I44-M48 HydrophobicContact CG1-CG 4.34Å; I44-M48 VanDerWaalsContact O-CB 3.3Å; I44-M48 WeakPolarHBondContact O-CB 3.29Å; I44-M48 WeakPolarHBondContact O-CG 3.42Å; I44-M48 PolarHBondContact O-N 2.92Å; I44-L60 HydrophobicContact CD1-CD1 3.32Å; I44-L60 HydrophobicContact CD1-CG 4.21Å; I44-L60 HydrophobicContact CG1-CD1 3.94Å; I44-V63 HydrophobicContact CB-CG1 4.25Å; I44-V63 HydrophobicContact CD1-CB 3.58Å; I44-V63 HydrophobicContact CD1-CG1 3.29Å; I44-V63 HydrophobicContact CD1-CG2 4.4Å; I44-V63 HydrophobicContact CG1-CB 4.12Å; I44-V63 HydrophobicContact CG1-CG1 3.81Å; I44-V63 HydrophobicContact CG1-CG2 4.42Å
45	A	62.4	Low	59.2	Low	55 Å²	55	52 Å²	52	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-43.2	177.6	0	0	0	0	0	110.9	S43 M48 E49	S43-A45 PolarHBondContact O-N 2.79Å; A45-M48 PolarHBondContact O-N 3.48Å; A45-E49 WeakPolarHBondContact O-CG 3.31Å; A45-E49 PolarHBondContact O-N 2.9Å
46	I	60	Low	58.6	Low	74 Å²	74	50.8 Å²	50.8	38%	0.379	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-46.7	177.1	-56.9	171.8	0	0	0	110.3	F18 S43 I44 M48 E49 M50	F18-I46 HydrophobicContact CE1-CD1 4.47Å; F18-I46 HydrophobicContact CZ-CD1 4.39Å; S43-I46 WeakPolarHBondContact O-CB 3.11Å; S43-I46 PolarHBondContact O-N 3.32Å; S43-I46 VanDerWaalsContact O-N 3.14Å; I44-I46 VanDerWaalsContact C-N 3.31Å; I44-I46 PolarHBondContact O-N 3.19Å; I46-M48 VanDerWaalsContact C-N 3.28Å; I46-M48 PolarHBondContact O-N 3.33Å; I46-E49 PolarHBondContact O-N 2.98Å; I46-M50 HydrophobicContact CG2-CE 4.04Å; I46-M50 HydrophobicContact CG2-SD 4.23Å; I46-M50 WeakPolarHBondContact O-CG 3.42Å; I46-M50 PolarHBondContact O-N 3.35Å
47	V	54.3	Low	58.1	Low	1 Å²	1	53.5 Å²	53.5	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-60.1	-41.3	177	166.5	0	0	0	0	110.9	A15 F18 M19 S43 I44 M50 L51 A59	A15-V47 HydrophobicContact CB-CG1 3.92Å; A15-V47 HydrophobicContact CB-CG2 4.48Å; F18-V47 HydrophobicContact CD1-CG2 4.11Å; M19-V47 HydrophobicContact CE-CG1 4.25Å; M19-V47 HydrophobicContact CG-CG2 3.79Å; M19-V47 HydrophobicContact SD-CG1 4.19Å; M19-V47 HydrophobicContact SD-CG2 4.46Å; S43-V47 WeakPolarHBondContact O-CG2 3.24Å; S43-V47 PolarHBondContact O-N 3.43Å; I44-V47 PolarHBondContact O-N 3.04Å; V47-M50 WeakPolarHBondContact O-CB 3.4Å; V47-M50 PolarHBondContact O-N 2.85Å; V47-L51 HydrophobicContact CG1-CD1 3.65Å; V47-L51 HydrophobicContact CG1-CG 4.33Å; V47-L51 VanDerWaalsContact O-CG 3.28Å; V47-L51 WeakPolarHBondContact O-CG 3.22Å; V47-L51 PolarHBondContact O-N 3.11Å; V47-L51 VanDerWaalsContact O-N 3.12Å; V47-A59 HydrophobicContact CG1-CB 4.41Å
48	M	60.5	Low	58	Low	38 Å²	38	57.3 Å²	57.3	19%	0.187	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-43.9	179.2	-70.2	-72.9	-73.7	0	0	111.3	I44 A45 I46 M50 L51 Q56 L60	I44-M48 HydrophobicContact CG1-CG 4.34Å; I44-M48 VanDerWaalsContact O-CB 3.3Å; I44-M48 WeakPolarHBondContact O-CB 3.29Å; I44-M48 WeakPolarHBondContact O-CG 3.42Å; I44-M48 PolarHBondContact O-N 2.92Å; A45-M48 PolarHBondContact O-N 3.48Å; I46-M48 VanDerWaalsContact C-N 3.28Å; I46-M48 PolarHBondContact O-N 3.33Å; M48-M50 PolarHBondContact O-N 3.43Å; M48-L51 PolarHBondContact O-N 3.29Å; M48-Q56 HydrophobicContact CB-CG 4.39Å; M48-Q56 HydrophobicContact CE-CB 3.56Å; M48-Q56 HydrophobicContact CE-CG 3.9Å; M48-Q56 VanDerWaalsContact O-CD 3.26Å; M48-Q56 WeakPolarHBondContact O-CG 3.23Å; M48-Q56 PolarHBondContact O-NE2 2.86Å; M48-Q56 HydrophobicContact SD-CB 3.54Å; M48-Q56 VanDerWaalsContact SD-CB 3.54Å; M48-Q56 HydrophobicContact SD-CG 3.76Å; M48-L60 HydrophobicContact CE-CB 4.29Å; M48-L60 HydrophobicContact CE-CD1 3.96Å; M48-L60 HydrophobicContact CE-CD2 4.26Å; M48-L60 HydrophobicContact CE-CG 4.41Å; M48-L60 HydrophobicContact CG-CD1 4.16Å; M48-L60 HydrophobicContact SD-CB 3.85Å; M48-L60 HydrophobicContact SD-CD1 3.82Å; M48-L60 HydrophobicContact SD-CG 4.36Å
49	E	62.5	Low	57.5	Low	156 Å²	156	55.7 Å²	55.7	73%	0.729	30%	0.304	S	S	*	.	H	α-helix	trans	-60.9	-25.4	175.7	-74	-179.2	-177.5	0	0	113.5	A45 I46	A45-E49 WeakPolarHBondContact O-CG 3.31Å; A45-E49 PolarHBondContact O-N 2.9Å; I46-E49 PolarHBondContact O-N 2.98Å
50	M	51.4	Low	56.9	Low	51 Å²	51	57.2 Å²	57.2	25%	0.251	31%	0.308	S	S	.	.	H	α-helix	trans	-82.9	-33.7	178.3	-70.7	174.3	167	0	0	112.6	R11 F14 A15 I46 V47 M48	R11-M50 HydrophobicContact CB-CB 4.21Å; R11-M50 WeakPolarHBondContact CB-O 3.17Å; R11-M50 WeakPolarHBondContact CD-O 3.25Å; F14-M50 HydrophobicContact CD1-CE 3.59Å; F14-M50 HydrophobicContact CD1-SD 3.5Å; F14-M50 VanDerWaalsContact CD1-SD 3.5Å; F14-M50 HydrophobicContact CE1-CE 3.59Å; F14-M50 HydrophobicContact CE1-SD 4.04Å; A15-M50 HydrophobicContact CB-CB 4.47Å; I46-M50 HydrophobicContact CG2-CE 4.04Å; I46-M50 HydrophobicContact CG2-SD 4.23Å; I46-M50 WeakPolarHBondContact O-CG 3.42Å; I46-M50 PolarHBondContact O-N 3.35Å; V47-M50 WeakPolarHBondContact O-CB 3.4Å; V47-M50 PolarHBondContact O-N 2.85Å; M48-M50 PolarHBondContact O-N 3.43Å
51	L	54	Low	56.6	Low	11 Å²	11	59.1 Å²	59.1	6%	0.058	32%	0.317	C	S	.	.	S	Bend	trans	-84.3	151.6	-174.3	-67.3	173.5	0	0	0	112.2	E12 A15 V47 M48 Q55 Q56 A59	E12-L51 HydrophobicContact CB-CD2 3.96Å; E12-L51 HydrophobicContact CG-CD2 4.01Å; A15-L51 HydrophobicContact CB-CD1 4.42Å; A15-L51 HydrophobicContact CB-CD2 3.89Å; A15-L51 HydrophobicContact CB-CG 4.04Å; V47-L51 HydrophobicContact CG1-CD1 3.65Å; V47-L51 HydrophobicContact CG1-CG 4.33Å; V47-L51 VanDerWaalsContact O-CG 3.28Å; V47-L51 WeakPolarHBondContact O-CG 3.22Å; V47-L51 PolarHBondContact O-N 3.11Å; V47-L51 VanDerWaalsContact O-N 3.12Å; M48-L51 PolarHBondContact O-N 3.29Å; L51-Q55 HydrophobicContact CB-CB 4.1Å; L51-Q55 HydrophobicContact CD2-CB 4.08Å; L51-Q55 HydrophobicContact CG-CB 4.49Å; L51-Q56 HydrophobicContact CB-CB 4.38Å; L51-Q56 HydrophobicContact CB-CG 3.58Å; L51-Q56 WeakPolarHBondContact O-CG 3.33Å; L51-Q56 PolarHBondContact O-NE2 3.46Å; L51-A59 HydrophobicContact CD1-CB 3.41Å; L51-A59 VanDerWaalsContact CD1-CB 3.41Å
52	S	54.4	Low	56.3	Low	40 Å²	40	57.1 Å²	57.1	28%	0.28	30%	0.304	S	S	.	.			trans	-68.8	152.6	166.3	68.8	0	0	0	0	110.7	N54 Q55 Q56	S52-N54 PolarHBondContact O-N 3.43Å; S52-Q55 PolarHBondContact O-N 3.26Å; S52-Q55 VanDerWaalsContact OG-CD 3.23Å; S52-Q55 PolarHBondContact OG-OE1 2.85Å; S52-Q56 WeakPolarHBondContact O-CG 3.29Å; S52-Q56 PolarHBondContact O-N 3.29Å
53	D	59.9	Low	55.8	Low	123 Å²	123	50 Å²	50	66%	0.658	27%	0.271	S	S	*	.	H	α-helix	trans	-48.1	-33	-176.5	-65.2	-5.1	0	0	0	114.5
54	N	51.9	Low	55.5	Low	113 Å²	113	54 Å²	54	60%	0.604	29%	0.291	S	S	*	.	H	α-helix	trans	-75.5	-39.1	179.1	-66.5	-29.9	0	0	0	112.2	S52	S52-N54 PolarHBondContact O-N 3.43Å
55	Q	51.2	Low	55.4	Low	39 Å²	39	53.6 Å²	53.6	18%	0.182	29%	0.288	C	S	.	.	H	α-helix	trans	-78.7	-32.4	179.3	-68.7	159.7	-37	0	0	112	E12 L51 S52 L57 D58 A59	E12-Q55 VanDerWaalsContact CD-NE2 3.35Å; E12-Q55 PolarHBondContact OE2-NE2 3.11Å; L51-Q55 HydrophobicContact CB-CB 4.1Å; L51-Q55 HydrophobicContact CD2-CB 4.08Å; L51-Q55 HydrophobicContact CG-CB 4.49Å; S52-Q55 PolarHBondContact O-N 3.26Å; S52-Q55 VanDerWaalsContact OG-CD 3.23Å; S52-Q55 PolarHBondContact OG-OE1 2.85Å; Q55-L57 PolarHBondContact O-N 3.01Å; Q55-D58 PolarHBondContact O-N 3.36Å; Q55-A59 PolarHBondContact O-N 2.71Å; Q55-A59 VanDerWaalsContact O-N 3.16Å
56	Q	51.3	Low	55.1	Low	43 Å²	43	51.4 Å²	51.4	20%	0.201	27%	0.268	C	S	.	.	H	α-helix	trans	-50	-43.6	173.6	-83.2	-178.2	19.6	0	0	111	M48 L51 S52 L60	M48-Q56 HydrophobicContact CB-CG 4.39Å; M48-Q56 HydrophobicContact CE-CB 3.56Å; M48-Q56 HydrophobicContact CE-CG 3.9Å; M48-Q56 VanDerWaalsContact O-CD 3.26Å; M48-Q56 WeakPolarHBondContact O-CG 3.23Å; M48-Q56 PolarHBondContact O-NE2 2.86Å; M48-Q56 HydrophobicContact SD-CB 3.54Å; M48-Q56 VanDerWaalsContact SD-CB 3.54Å; M48-Q56 HydrophobicContact SD-CG 3.76Å; L51-Q56 HydrophobicContact CB-CB 4.38Å; L51-Q56 HydrophobicContact CB-CG 3.58Å; L51-Q56 WeakPolarHBondContact O-CG 3.33Å; L51-Q56 PolarHBondContact O-NE2 3.46Å; S52-Q56 WeakPolarHBondContact O-CG 3.29Å; S52-Q56 PolarHBondContact O-N 3.29Å; Q56-L60 WeakPolarHBondContact O-CB 3.45Å; Q56-L60 PolarHBondContact O-N 3Å
57	L	50.6	Low	54.8	Low	59 Å²	59	48.5 Å²	48.5	31%	0.309	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-45.6	-176.7	-142.1	95.6	0	0	0	112.5	Q55 L60 E61	Q55-L57 PolarHBondContact O-N 3.01Å; L57-L60 PolarHBondContact O-N 3.19Å; L57-E61 WeakPolarHBondContact O-CB 3.35Å; L57-E61 WeakPolarHBondContact O-CG 3.48Å; L57-E61 PolarHBondContact O-N 2.74Å
58	D	54	Low	54.8	Low	85 Å²	85	49.9 Å²	49.9	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-43	-177.6	-67.5	-19.3	0	0	0	111.2	Q55 A62	Q55-D58 PolarHBondContact O-N 3.36Å; D58-A62 WeakPolarHBondContact O-CB 3.48Å; D58-A62 PolarHBondContact O-N 2.97Å; D58-A62 VanDerWaalsContact O-N 3.1Å
59	A	54.2	Low	54.4	Low	13 Å²	13	48.3 Å²	48.3	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-42.7	175.6	0	0	0	0	0	111.2	M19 V47 L51 Q55 A62 V63	M19-A59 HydrophobicContact CE-CB 4.36Å; V47-A59 HydrophobicContact CG1-CB 4.41Å; L51-A59 HydrophobicContact CD1-CB 3.41Å; L51-A59 VanDerWaalsContact CD1-CB 3.41Å; Q55-A59 PolarHBondContact O-N 2.71Å; Q55-A59 VanDerWaalsContact O-N 3.16Å; A59-A62 PolarHBondContact O-N 3.17Å; A59-V63 WeakPolarHBondContact O-CB 3.35Å; A59-V63 VanDerWaalsContact O-CG2 3.23Å; A59-V63 WeakPolarHBondContact O-CG2 3.43Å; A59-V63 PolarHBondContact O-N 2.76Å
60	L	52.6	Low	53.9	Low	48 Å²	48	41 Å²	41	25%	0.251	22%	0.224	S	C	.	.	H	α-helix	trans	-60.7	-48.6	177.7	-170.3	82.2	0	0	0	111	I44 M48 Q56 L57 A62 V63 L64	I44-L60 HydrophobicContact CD1-CD1 3.32Å; I44-L60 HydrophobicContact CD1-CG 4.21Å; I44-L60 HydrophobicContact CG1-CD1 3.94Å; M48-L60 HydrophobicContact CE-CB 4.29Å; M48-L60 HydrophobicContact CE-CD1 3.96Å; M48-L60 HydrophobicContact CE-CD2 4.26Å; M48-L60 HydrophobicContact CE-CG 4.41Å; M48-L60 HydrophobicContact CG-CD1 4.16Å; M48-L60 HydrophobicContact SD-CB 3.85Å; M48-L60 HydrophobicContact SD-CD1 3.82Å; M48-L60 HydrophobicContact SD-CG 4.36Å; Q56-L60 WeakPolarHBondContact O-CB 3.45Å; Q56-L60 PolarHBondContact O-N 3Å; L57-L60 PolarHBondContact O-N 3.19Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 2.85Å; L60-V63 PolarHBondContact O-N 3.37Å; L60-L64 HydrophobicContact CD2-CD1 4.14Å; L60-L64 HydrophobicContact CG-CD1 3.84Å; L60-L64 HydrophobicContact CG-CG 4.26Å; L60-L64 VanDerWaalsContact O-CB 3.27Å; L60-L64 WeakPolarHBondContact O-CB 3.37Å; L60-L64 WeakPolarHBondContact O-CG 3.21Å; L60-L64 PolarHBondContact O-N 3.4Å
61	E	54.3	Low	54.1	Low	45 Å²	45	44.2 Å²	44.2	21%	0.21	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-44.2	179.4	-79.2	-174.9	-179.4	0	0	111.7	L57 F65 A159	L57-E61 WeakPolarHBondContact O-CB 3.35Å; L57-E61 WeakPolarHBondContact O-CG 3.48Å; L57-E61 PolarHBondContact O-N 2.74Å; E61-F65 VanDerWaalsContact O-CB 3.23Å; E61-F65 WeakPolarHBondContact O-CB 3.41Å; E61-F65 PolarHBondContact O-N 3.06Å; E61-A159 WeakPolarHBondContact OE1-CB 3.19Å
62	A	56.6	Low	54.1	Low	17 Å²	17	49.2 Å²	49.2	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-68.9	-37.6	-179.8	0	0	0	0	0	112.3	D58 A59 L60 M66 W85	D58-A62 WeakPolarHBondContact O-CB 3.48Å; D58-A62 PolarHBondContact O-N 2.97Å; D58-A62 VanDerWaalsContact O-N 3.1Å; A59-A62 PolarHBondContact O-N 3.17Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 2.85Å; A62-M66 WeakPolarHBondContact O-CG 3.37Å; A62-M66 PolarHBondContact O-N 3.02Å; A62-M66 VanDerWaalsContact O-N 3.08Å; A62-W85 HydrophobicContact CB-CE3 4.28Å; A62-W85 HydrophobicContact CB-CH2 3.99Å; A62-W85 HydrophobicContact CB-CZ3 3.39Å
63	V	54.9	Low	54.2	Low	3 Å²	3	54.4 Å²	54.4	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-69	-46.7	175	171.9	0	0	0	0	111.4	M19 L40 I44 A59 L60 F65 M66 V67	M19-V63 HydrophobicContact SD-CG2 3.5Å; M19-V63 VanDerWaalsContact SD-CG2 3.5Å; L40-V63 HydrophobicContact CB-CG1 4.49Å; L40-V63 HydrophobicContact CD2-CB 4.46Å; L40-V63 HydrophobicContact CD2-CG1 3.57Å; L40-V63 HydrophobicContact CG-CG1 3.73Å; I44-V63 HydrophobicContact CB-CG1 4.25Å; I44-V63 HydrophobicContact CD1-CB 3.58Å; I44-V63 HydrophobicContact CD1-CG1 3.29Å; I44-V63 HydrophobicContact CD1-CG2 4.4Å; I44-V63 HydrophobicContact CG1-CB 4.12Å; I44-V63 HydrophobicContact CG1-CG1 3.81Å; I44-V63 HydrophobicContact CG1-CG2 4.42Å; A59-V63 WeakPolarHBondContact O-CB 3.35Å; A59-V63 VanDerWaalsContact O-CG2 3.23Å; A59-V63 WeakPolarHBondContact O-CG2 3.43Å; A59-V63 PolarHBondContact O-N 2.76Å; L60-V63 PolarHBondContact O-N 3.37Å; V63-F65 PolarHBondContact O-N 3.41Å; V63-M66 HydrophobicContact CG2-CE 4.26Å; V63-M66 PolarHBondContact O-N 3.3Å; V63-M66 VanDerWaalsContact O-N 3.09Å; V63-V67 HydrophobicContact CG1-CG2 4.42Å; V63-V67 WeakPolarHBondContact O-CG2 3.16Å; V63-V67 PolarHBondContact O-N 3.18Å
64	L	54.5	Low	53.6	Low	95 Å²	95	50.1 Å²	50.1	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-59	-38.4	175.6	-74.4	174.7	0	0	0	111.5	L60 V67 A68	L60-L64 HydrophobicContact CD2-CD1 4.14Å; L60-L64 HydrophobicContact CG-CD1 3.84Å; L60-L64 HydrophobicContact CG-CG 4.26Å; L60-L64 VanDerWaalsContact O-CB 3.27Å; L60-L64 WeakPolarHBondContact O-CB 3.37Å; L60-L64 WeakPolarHBondContact O-CG 3.21Å; L60-L64 PolarHBondContact O-N 3.4Å; L64-V67 PolarHBondContact O-N 3.26Å; L64-A68 WeakPolarHBondContact O-CB 3.41Å; L64-A68 PolarHBondContact O-N 3.48Å
65	F	58.3	Low	53.4	Low	17 Å²	17	45.2 Å²	45.2	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-45.9	173.9	176	-107.4	0	0	0	112	E61 V63 A68 C69 I88 M123 L152	E61-F65 VanDerWaalsContact O-CB 3.23Å; E61-F65 WeakPolarHBondContact O-CB 3.41Å; E61-F65 PolarHBondContact O-N 3.06Å; V63-F65 PolarHBondContact O-N 3.41Å; F65-A68 PolarHBondContact O-N 2.76Å; F65-C69 WeakPolarHBondContact CE2-SG 3.26Å; F65-C69 WeakPolarHBondContact CZ-SG 3.35Å; F65-C69 WeakPolarHBondContact O-CB 3.39Å; F65-C69 PolarHBondContact O-N 3.15Å; F65-C69 PolarHBondContact O-SG 2.91Å; F65-I88 HydrophobicContact CD1-CD1 4.37Å; F65-I88 HydrophobicContact CE1-CD1 4.41Å; F65-M123 HydrophobicContact CD2-CE 4.05Å; F65-M123 HydrophobicContact CE1-CE 4.33Å; F65-M123 HydrophobicContact CE1-SD 4.29Å; F65-M123 HydrophobicContact CE2-CE 3.04Å; F65-M123 HydrophobicContact CE2-SD 4.01Å; F65-M123 HydrophobicContact CZ-CE 3.22Å; F65-M123 HydrophobicContact CZ-CG 4.24Å; F65-M123 HydrophobicContact CZ-SD 3.62Å; F65-L152 HydrophobicContact CD2-CD2 4.05Å; F65-L152 HydrophobicContact CE2-CD2 4.17Å
66	M	55.3	Low	53.5	Low	8 Å²	8	47.4 Å²	47.4	4%	0.039	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-42	175.9	-73.4	-170.7	-72.6	0	0	112.3	L23 L40 A62 V63 C69 A70 W85	L23-M66 HydrophobicContact CD2-SD 4.33Å; L40-M66 HydrophobicContact CD2-CB 4.15Å; L40-M66 HydrophobicContact CD2-CE 4.21Å; A62-M66 WeakPolarHBondContact O-CG 3.37Å; A62-M66 PolarHBondContact O-N 3.02Å; A62-M66 VanDerWaalsContact O-N 3.08Å; V63-M66 HydrophobicContact CG2-CE 4.26Å; V63-M66 PolarHBondContact O-N 3.3Å; V63-M66 VanDerWaalsContact O-N 3.09Å; M66-C69 PolarHBondContact O-N 3.48Å; M66-A70 WeakPolarHBondContact O-CB 3.27Å; M66-A70 PolarHBondContact O-N 3.33Å; M66-W85 HydrophobicContact CE-CE3 3.58Å; M66-W85 HydrophobicContact CE-CZ3 3.61Å; M66-W85 HydrophobicContact SD-CE3 3.99Å
67	V	54.3	Low	53.5	Low	13 Å²	13	53.3 Å²	53.3	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-58.9	-50.3	174.8	167.5	0	0	0	0	110.6	L40 V63 L64 C69 A70 E71	L40-V67 HydrophobicContact CB-CG2 4.3Å; L40-V67 HydrophobicContact CD2-CG2 4.09Å; V63-V67 HydrophobicContact CG1-CG2 4.42Å; V63-V67 WeakPolarHBondContact O-CG2 3.16Å; V63-V67 PolarHBondContact O-N 3.18Å; L64-V67 PolarHBondContact O-N 3.26Å; V67-C69 VanDerWaalsContact C-N 3.29Å; V67-C69 PolarHBondContact O-N 3.39Å; V67-A70 WeakPolarHBondContact O-CB 3.24Å; V67-A70 PolarHBondContact O-N 3.03Å; V67-A70 VanDerWaalsContact O-N 3.11Å; V67-E71 HydrophobicContact CG1-CG 4.28Å; V67-E71 WeakPolarHBondContact O-CG 3.17Å; V67-E71 PolarHBondContact O-N 3.03Å
68	A	53.9	Low	53.4	Low	30 Å²	30	51.4 Å²	51.4	25%	0.248	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-40.4	179.1	0	0	0	0	0	111.9	L64 F65 K72	L64-A68 WeakPolarHBondContact O-CB 3.41Å; L64-A68 PolarHBondContact O-N 3.48Å; F65-A68 PolarHBondContact O-N 2.76Å; A68-K72 VanDerWaalsContact O-CB 3.3Å; A68-K72 WeakPolarHBondContact O-CB 3.45Å; A68-K72 WeakPolarHBondContact O-CG 3.41Å; A68-K72 PolarHBondContact O-N 3.49Å
69	C	51.5	Low	53.1	Low	5 Å²	5	51 Å²	51	3%	0.034	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-40.3	175.3	-70.3	0	0	0	0	112.8	F65 M66 V67 K73 I74 I75	F65-C69 WeakPolarHBondContact CE2-SG 3.26Å; F65-C69 WeakPolarHBondContact CZ-SG 3.35Å; F65-C69 WeakPolarHBondContact O-CB 3.39Å; F65-C69 PolarHBondContact O-N 3.15Å; F65-C69 PolarHBondContact O-SG 2.91Å; M66-C69 PolarHBondContact O-N 3.48Å; V67-C69 VanDerWaalsContact C-N 3.29Å; V67-C69 PolarHBondContact O-N 3.39Å; C69-K73 PolarHBondContact O-N 3.15Å; C69-I74 HydrophobicContact CB-CB 4.3Å; C69-I74 PolarHBondContact O-N 3.11Å; C69-I75 HydrophobicContact CB-CB 4.37Å; C69-I75 HydrophobicContact CB-CD1 3.48Å; C69-I75 VanDerWaalsContact CB-CD1 3.48Å; C69-I75 HydrophobicContact CB-CG1 3.81Å; C69-I75 PolarHBondContact O-N 3.46Å
70	A	53.9	Low	52.9	Low	2 Å²	2	54.7 Å²	54.7	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-67.2	-47.7	177.5	0	0	0	0	0	111.6	C33 F36 M66 V67 K72 K73	C33-A70 HydrophobicContact CB-CB 4.03Å; F36-A70 HydrophobicContact CD1-CB 4.37Å; M66-A70 WeakPolarHBondContact O-CB 3.27Å; M66-A70 PolarHBondContact O-N 3.33Å; V67-A70 WeakPolarHBondContact O-CB 3.24Å; V67-A70 PolarHBondContact O-N 3.03Å; V67-A70 VanDerWaalsContact O-N 3.11Å; A70-K72 VanDerWaalsContact C-N 3.34Å; A70-K72 PolarHBondContact O-N 3.36Å; A70-K73 PolarHBondContact O-N 2.88Å
71	E	54	Low	52.7	Low	119 Å²	119	52.6 Å²	52.6	56%	0.556	26%	0.262	S	S	*	.	H	α-helix	trans	-62.4	-40.1	179.3	-74.1	-173.9	162.1	0	0	112.5	V67 K73	V67-E71 HydrophobicContact CG1-CG 4.28Å; V67-E71 WeakPolarHBondContact O-CG 3.17Å; V67-E71 PolarHBondContact O-N 3.03Å; E71-K73 PolarHBondContact O-N 3.43Å
72	K	54.6	Low	52.3	Low	116 Å²	116	52 Å²	52	50%	0.504	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.8	176.4	-69.2	-69.4	-169.3	162.5	0	113.2	A68 A70 I74 D145	A68-K72 VanDerWaalsContact O-CB 3.3Å; A68-K72 WeakPolarHBondContact O-CB 3.45Å; A68-K72 WeakPolarHBondContact O-CG 3.41Å; A68-K72 PolarHBondContact O-N 3.49Å; A70-K72 VanDerWaalsContact C-N 3.34Å; A70-K72 PolarHBondContact O-N 3.36Å; K72-I74 HydrophobicContact CB-CD1 3.59Å; K72-I74 HydrophobicContact CB-CG1 3.67Å; K72-I74 HydrophobicContact CG-CD1 4.27Å; K72-I74 PolarHBondContact O-N 2.83Å; K72-D145 IonicContact NZ-OD1 3.54Å; K72-D145 PolarHBondContact NZ-OD1 2.93Å
73	K	56	Low	51.9	Low	149 Å²	149	52.4 Å²	52.4	65%	0.648	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	21.7	-174.3	-55.1	-178.2	178.7	-176	0	113.1	C69 A70 E71 I75	C69-K73 PolarHBondContact O-N 3.15Å; A70-K73 PolarHBondContact O-N 2.88Å; E71-K73 PolarHBondContact O-N 3.43Å; K73-I75 PolarHBondContact O-N 2.87Å
74	I	46.9	Very low	51.6	Low	34 Å²	34	53 Å²	53	17%	0.174	27%	0.268	C	S	.	.	S	Bend	trans	-59.3	-39.3	173.4	-65.9	162.1	0	0	0	108.4	C69 K72 L127 I132	C69-I74 HydrophobicContact CB-CB 4.3Å; C69-I74 PolarHBondContact O-N 3.11Å; K72-I74 HydrophobicContact CB-CD1 3.59Å; K72-I74 HydrophobicContact CB-CG1 3.67Å; K72-I74 HydrophobicContact CG-CD1 4.27Å; K72-I74 PolarHBondContact O-N 2.83Å; I74-L127 HydrophobicContact CD1-CD2 3.84Å; I74-L127 HydrophobicContact CG1-CD2 3.99Å; I74-L127 HydrophobicContact CG2-CD2 3.8Å; I74-I132 HydrophobicContact CB-CD1 3.85Å; I74-I132 HydrophobicContact CG1-CD1 3.52Å; I74-I132 HydrophobicContact CG1-CG2 4.29Å; I74-I132 HydrophobicContact CG2-CD1 3.9Å
75	I	49.3	Very low	51.3	Low	9 Å²	9	49.8 Å²	49.8	5%	0.046	25%	0.249	C	C	.	.	S	Bend	trans	-109.9	98.4	174	-59.1	172.1	0	0	0	107.9	C33 C69 K73 R77 N80 C81	C33-I75 PolarHBondContact SG-O 3.15Å; C69-I75 HydrophobicContact CB-CB 4.37Å; C69-I75 HydrophobicContact CB-CD1 3.48Å; C69-I75 VanDerWaalsContact CB-CD1 3.48Å; C69-I75 HydrophobicContact CB-CG1 3.81Å; C69-I75 PolarHBondContact O-N 3.46Å; K73-I75 PolarHBondContact O-N 2.87Å; I75-R77 VanDerWaalsContact C-N 3.29Å; I75-R77 WeakPolarHBondContact CG2-O 3.45Å; I75-N80 HydrophobicContact CG2-CB 3.74Å; I75-C81 HydrophobicContact CD1-CB 4.31Å; I75-C81 WeakPolarHBondContact CD1-SG 3.42Å; I75-C81 HydrophobicContact CG2-CB 4.28Å; I75-C81 WeakPolarHBondContact CG2-SG 3Å
76	S	52	Low	50.8	Low	85 Å²	85	50.6 Å²	50.6	59%	0.594	25%	0.254	S	S	*	.	S	Bend	trans	-76	-16.9	179.6	58.4	0	0	0	0	113.7
77	R	52.7	Low	50.3	Low	167 Å²	167	52 Å²	52	63%	0.63	26%	0.263	S	S	*	.	S	Bend	trans	-136.4	129.1	-180	-64.7	-174.2	178.5	-176	-0.7	109.9	I75 E79 N80	I75-R77 VanDerWaalsContact C-N 3.29Å; I75-R77 WeakPolarHBondContact CG2-O 3.45Å; R77-E79 PolarHBondContact O-N 2.85Å; R77-N80 WeakPolarHBondContact O-CB 3.49Å; R77-N80 PolarHBondContact O-N 2.86Å
78	V	47.1	Very low	49.9	Very low	20 Å²	20	53.3 Å²	53.3	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-50.6	-28.3	177.8	176.9	0	0	0	0	112.4	K27 N80 C81 W82	K27-V78 HydrophobicContact CB-CG1 4.49Å; V78-N80 VanDerWaalsContact C-N 3.27Å; V78-N80 PolarHBondContact O-N 2.77Å; V78-C81 WeakPolarHBondContact O-CA 3.32Å; V78-C81 VanDerWaalsContact O-CB 3.24Å; V78-C81 WeakPolarHBondContact O-CB 3.42Å; V78-C81 PolarHBondContact O-N 3.44Å; V78-W82 PolarHBondContact O-N 3.1Å
79	E	48.4	Very low	49.4	Very low	76 Å²	76	53.5 Å²	53.5	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-35.3	175.6	-52.7	-168.1	138	0	0	113.5	K27 R77 W82 G83	K27-E79 WeakPolarHBondContact CE-OE1 3.47Å; K27-E79 IonicContact NZ-OE1 2.97Å; K27-E79 PolarHBondContact NZ-OE1 3Å; R77-E79 PolarHBondContact O-N 2.85Å; E79-W82 WeakPolarHBondContact O-CB 3.3Å; E79-W82 PolarHBondContact O-N 2.73Å; E79-G83 PolarHBondContact O-N 3.09Å; E79-G83 VanDerWaalsContact O-N 3.15Å
80	N	50	Low	48.9	Very low	90 Å²	90	57.8 Å²	57.8	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-74.1	-32	175.4	-64.7	-12.8	0	0	0	110.8	I75 R77 V78 W82 G83 C84	I75-N80 HydrophobicContact CG2-CB 3.74Å; R77-N80 WeakPolarHBondContact O-CB 3.49Å; R77-N80 PolarHBondContact O-N 2.86Å; V78-N80 VanDerWaalsContact C-N 3.27Å; V78-N80 PolarHBondContact O-N 2.77Å; N80-W82 VanDerWaalsContact C-N 3.26Å; N80-W82 PolarHBondContact O-N 3.24Å; N80-G83 PolarHBondContact O-N 2.87Å; N80-C84 PolarHBondContact O-N 3.29Å; N80-C84 PolarHBondContact O-SG 2.75Å; N80-C84 VanDerWaalsContact O-SG 3.4Å
81	C	48.1	Very low	48.2	Very low	4 Å²	4	58.3 Å²	58.3	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-42.1	170.6	-69.8	0	0	0	0	110.1	I75 V78 G83 C84 W85	I75-C81 HydrophobicContact CD1-CB 4.31Å; I75-C81 WeakPolarHBondContact CD1-SG 3.42Å; I75-C81 HydrophobicContact CG2-CB 4.28Å; I75-C81 WeakPolarHBondContact CG2-SG 3Å; V78-C81 WeakPolarHBondContact O-CA 3.32Å; V78-C81 VanDerWaalsContact O-CB 3.24Å; V78-C81 WeakPolarHBondContact O-CB 3.42Å; V78-C81 PolarHBondContact O-N 3.44Å; C81-G83 PolarHBondContact O-N 3.08Å; C81-C84 PolarHBondContact O-N 3.42Å; C81-W85 WeakPolarHBondContact O-CB 3.41Å; C81-W85 PolarHBondContact O-N 3Å
82	W	46.2	Very low	47.6	Very low	32 Å²	32	54.6 Å²	54.6	12%	0.121	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-42.2	177.4	-165.7	-105.4	0	0	0	112.3	V20 L23 V78 E79 N80 W85 N86 V184	V20-W82 HydrophobicContact CB-CH2 4.33Å; V20-W82 HydrophobicContact CB-CZ3 4.46Å; V20-W82 HydrophobicContact CG1-CH2 3.67Å; V20-W82 HydrophobicContact CG1-CZ3 4.05Å; V20-W82 HydrophobicContact CG2-CH2 3.83Å; V20-W82 HydrophobicContact CG2-CZ3 4.05Å; L23-W82 HydrophobicContact CB-CZ3 4.45Å; L23-W82 HydrophobicContact CD1-CE3 3.93Å; L23-W82 HydrophobicContact CD1-CZ3 3.69Å; V78-W82 PolarHBondContact O-N 3.1Å; E79-W82 WeakPolarHBondContact O-CB 3.3Å; E79-W82 PolarHBondContact O-N 2.73Å; N80-W82 VanDerWaalsContact C-N 3.26Å; N80-W82 PolarHBondContact O-N 3.24Å; W82-W85 PolarHBondContact O-N 2.71Å; W82-N86 VanDerWaalsContact CD1-ND2 3.25Å; W82-N86 PolarHBondContact NE1-ND2 3.39Å; W82-N86 WeakPolarHBondContact O-CB 3.29Å; W82-N86 PolarHBondContact O-N 3.46Å; W82-N86 PolarHBondContact O-ND2 2.87Å; W82-V184 HydrophobicContact CZ2-CG2 3.75Å
83	G	48.9	Very low	47.1	Very low	26 Å²	26	53.3 Å²	53.3	27%	0.268	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-43.7	174	0	0	0	0	0	112.7	E79 N80 C81 T87	E79-G83 PolarHBondContact O-N 3.09Å; E79-G83 VanDerWaalsContact O-N 3.15Å; N80-G83 PolarHBondContact O-N 2.87Å; C81-G83 PolarHBondContact O-N 3.08Å; G83-T87 WeakPolarHBondContact O-CB 3.16Å; G83-T87 PolarHBondContact O-N 3.47Å; G83-T87 PolarHBondContact O-OG1 3.5Å
84	C	48.3	Very low	46.3	Very low	17 Å²	17	48.5 Å²	48.5	12%	0.115	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-47.8	175	-70.8	0	0	0	0	111.8	N80 C81 T87 I88	N80-C84 PolarHBondContact O-N 3.29Å; N80-C84 PolarHBondContact O-SG 2.75Å; N80-C84 VanDerWaalsContact O-SG 3.4Å; C81-C84 PolarHBondContact O-N 3.42Å; C84-T87 WeakPolarHBondContact O-CB 3.23Å; C84-T87 PolarHBondContact O-N 2.83Å; C84-I88 WeakPolarHBondContact O-CG1 3.41Å; C84-I88 PolarHBondContact O-N 2.92Å
85	W	48.4	Very low	45.8	Very low	26 Å²	26	47 Å²	47	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-50.3	178.8	-178.1	-92.3	0	0	0	111.7	L16 M19 A62 M66 C81 W82 T87 I88 C89	L16-W85 HydrophobicContact CD2-CZ2 3.87Å; M19-W85 HydrophobicContact CE-CH2 4.45Å; A62-W85 HydrophobicContact CB-CE3 4.28Å; A62-W85 HydrophobicContact CB-CH2 3.99Å; A62-W85 HydrophobicContact CB-CZ3 3.39Å; M66-W85 HydrophobicContact CE-CE3 3.58Å; M66-W85 HydrophobicContact CE-CZ3 3.61Å; M66-W85 HydrophobicContact SD-CE3 3.99Å; C81-W85 WeakPolarHBondContact O-CB 3.41Å; C81-W85 PolarHBondContact O-N 3Å; W82-W85 PolarHBondContact O-N 2.71Å; W85-T87 PolarHBondContact O-N 2.8Å; W85-I88 PolarHBondContact O-N 3.19Å; W85-I88 VanDerWaalsContact O-N 3.11Å; W85-C89 PolarHBondContact NE1-SG 3.15Å; W85-C89 PolarHBondContact O-N 3.46Å
86	N	47	Very low	45.3	Very low	35 Å²	35	50.3 Å²	50.3	19%	0.187	27%	0.27	C	S	.	.	H	α-helix	trans	-58.5	-40.5	176.3	-77.8	-22.2	0	0	0	111.6	W82 C89 I90	W82-N86 VanDerWaalsContact CD1-ND2 3.25Å; W82-N86 PolarHBondContact NE1-ND2 3.39Å; W82-N86 WeakPolarHBondContact O-CB 3.29Å; W82-N86 PolarHBondContact O-N 3.46Å; W82-N86 PolarHBondContact O-ND2 2.87Å; N86-C89 PolarHBondContact O-N 3.41Å; N86-I90 VanDerWaalsContact O-CB 3.3Å; N86-I90 WeakPolarHBondContact O-CB 3.46Å; N86-I90 WeakPolarHBondContact O-CD1 3.37Å; N86-I90 WeakPolarHBondContact O-CG1 3.44Å; N86-I90 PolarHBondContact O-N 2.99Å
87	T	45.9	Very low	44.6	Very low	37 Å²	37	48.7 Å²	48.7	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-46.9	176.7	-58	0	0	0	0	110.7	G83 C84 W85 I90 C91	G83-T87 WeakPolarHBondContact O-CB 3.16Å; G83-T87 PolarHBondContact O-N 3.47Å; G83-T87 PolarHBondContact O-OG1 3.5Å; C84-T87 WeakPolarHBondContact O-CB 3.23Å; C84-T87 PolarHBondContact O-N 2.83Å; W85-T87 PolarHBondContact O-N 2.8Å; T87-I90 PolarHBondContact O-N 2.88Å; T87-C91 WeakPolarHBondContact O-CB 3.34Å; T87-C91 PolarHBondContact O-N 2.9Å; T87-C91 PolarHBondContact O-SG 3.42Å
88	I	44.3	Very low	43.6	Very low	41 Å²	41	43.5 Å²	43.5	21%	0.21	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-48.8	177.1	-68.6	165.4	0	0	0	110.1	F65 C84 W85 C91 S92 I119	F65-I88 HydrophobicContact CD1-CD1 4.37Å; F65-I88 HydrophobicContact CE1-CD1 4.41Å; C84-I88 WeakPolarHBondContact O-CG1 3.41Å; C84-I88 PolarHBondContact O-N 2.92Å; W85-I88 PolarHBondContact O-N 3.19Å; W85-I88 VanDerWaalsContact O-N 3.11Å; I88-C91 WeakPolarHBondContact O-CB 3.4Å; I88-C91 PolarHBondContact O-N 2.85Å; I88-S92 WeakPolarHBondContact O-CB 3.46Å; I88-S92 PolarHBondContact O-N 3.15Å; I88-S92 PolarHBondContact O-OG 3.42Å; I88-I119 HydrophobicContact CG1-CD1 4.4Å
89	C	44.2	Very low	43.1	Very low	34 Å²	34	48.6 Å²	48.6	23%	0.23	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-53.4	177	-71.9	0	0	0	0	111.8	W85 N86 C91 S92 H93	W85-C89 PolarHBondContact NE1-SG 3.15Å; W85-C89 PolarHBondContact O-N 3.46Å; N86-C89 PolarHBondContact O-N 3.41Å; C89-C91 VanDerWaalsContact C-N 3.27Å; C89-C91 PolarHBondContact O-N 2.9Å; C89-S92 CarbonylContact O-C 3.6Å; C89-S92 WeakPolarHBondContact O-CB 3.37Å; C89-S92 PolarHBondContact O-N 3.41Å; C89-S92 VanDerWaalsContact O-N 3.16Å; C89-H93 PolarHBondContact O-CD2 3.12Å; C89-H93 PolarHBondContact O-N 3.07Å
90	I	41.8	Very low	42.5	Very low	94 Å²	94	54.5 Å²	54.5	48%	0.482	31%	0.308	S	S	.	.	H	α-helix	trans	-57.4	-43.2	180	-69.5	165.1	0	0	0	111.1	N86 T87 H93 A94	N86-I90 VanDerWaalsContact O-CB 3.3Å; N86-I90 WeakPolarHBondContact O-CB 3.46Å; N86-I90 WeakPolarHBondContact O-CD1 3.37Å; N86-I90 WeakPolarHBondContact O-CG1 3.44Å; N86-I90 PolarHBondContact O-N 2.99Å; T87-I90 PolarHBondContact O-N 2.88Å; I90-H93 WeakPolarHBondContact O-CB 3.43Å; I90-H93 PolarHBondContact O-N 2.92Å; I90-A94 PolarHBondContact O-N 2.97Å
91	C	38.3	Very low	41.7	Very low	13 Å²	13	53.4 Å²	53.4	9%	0.088	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-47.3	177.3	-86.5	0	0	0	0	112.2	T87 I88 C89 H93 A94 A95 V115 I119	T87-C91 WeakPolarHBondContact O-CB 3.34Å; T87-C91 PolarHBondContact O-N 2.9Å; T87-C91 PolarHBondContact O-SG 3.42Å; I88-C91 WeakPolarHBondContact O-CB 3.4Å; I88-C91 PolarHBondContact O-N 2.85Å; C89-C91 VanDerWaalsContact C-N 3.27Å; C89-C91 PolarHBondContact O-N 2.9Å; C91-H93 VanDerWaalsContact C-N 3.33Å; C91-H93 PolarHBondContact O-N 3.36Å; C91-A94 PolarHBondContact O-N 3.47Å; C91-A95 PolarHBondContact O-N 3.12Å; C91-A95 VanDerWaalsContact O-N 3.12Å; C91-V115 HydrophobicContact CB-CB 4.44Å; C91-V115 HydrophobicContact CB-CG1 3.31Å; C91-V115 HydrophobicContact CB-CG2 4.45Å; C91-I119 HydrophobicContact CB-CD1 3.65Å; C91-I119 HydrophobicContact CB-CG1 4.11Å
92	S	41.2	Very low	41.3	Very low	42 Å²	42	58.4 Å²	58.4	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-57.2	-47.6	171.1	-63.1	0	0	0	0	110.2	I88 C89 A94 A95 Y96	I88-S92 WeakPolarHBondContact O-CB 3.46Å; I88-S92 PolarHBondContact O-N 3.15Å; I88-S92 PolarHBondContact O-OG 3.42Å; C89-S92 CarbonylContact O-C 3.6Å; C89-S92 WeakPolarHBondContact O-CB 3.37Å; C89-S92 PolarHBondContact O-N 3.41Å; C89-S92 VanDerWaalsContact O-N 3.16Å; S92-A94 VanDerWaalsContact C-N 3.32Å; S92-A94 PolarHBondContact O-N 3.08Å; S92-A95 PolarHBondContact O-N 3.03Å; S92-A95 VanDerWaalsContact O-N 3.09Å; S92-Y96 VanDerWaalsContact C-CD2 3.44Å; S92-Y96 WeakPolarHBondContact O-CB 3.13Å; S92-Y96 WeakPolarHBondContact O-CD2 3.37Å; S92-Y96 PolarHBondContact O-N 2.92Å
93	H	43.7	Very low	40.8	Very low	88 Å²	88	65.4 Å²	65.4	41%	0.407	39%	0.393	S	S	.	.	H	α-helix	trans	-55.5	-42.2	177.3	-69.6	-66	0	0	0	113.3	C89 I90 C91 G97	C89-H93 PolarHBondContact O-CD2 3.12Å; C89-H93 PolarHBondContact O-N 3.07Å; I90-H93 WeakPolarHBondContact O-CB 3.43Å; I90-H93 PolarHBondContact O-N 2.92Å; C91-H93 VanDerWaalsContact C-N 3.33Å; C91-H93 PolarHBondContact O-N 3.36Å; H93-G97 WeakPolarHBondContact O-CA 3.48Å; H93-G97 PolarHBondContact O-N 3.3Å
94	A	39.4	Very low	40.6	Very low	49 Å²	49	65.2 Å²	65.2	41%	0.405	39%	0.386	S	S	.	.	H	α-helix	trans	-64.7	-43.5	177	0	0	0	0	0	111.6	I90 C91 S92 L111 V115	I90-A94 PolarHBondContact O-N 2.97Å; C91-A94 PolarHBondContact O-N 3.47Å; S92-A94 VanDerWaalsContact C-N 3.32Å; S92-A94 PolarHBondContact O-N 3.08Å; A94-L111 WeakPolarHBondContact O-CD2 3.41Å; A94-V115 HydrophobicContact CB-CG2 4.4Å
95	A	36	Very low	40.5	Very low	2 Å²	2	68.1 Å²	68.1	2%	0.017	40%	0.401	C	S	.	.	H	α-helix	trans	-69.9	-32.8	-179.9	0	0	0	0	0	113.6	C91 S92 L112	C91-A95 PolarHBondContact O-N 3.12Å; C91-A95 VanDerWaalsContact O-N 3.12Å; S92-A95 PolarHBondContact O-N 3.03Å; S92-A95 VanDerWaalsContact O-N 3.09Å; A95-L112 HydrophobicContact CB-CB 4.14Å; A95-L112 HydrophobicContact CB-CD1 3.41Å; A95-L112 VanDerWaalsContact CB-CD1 3.41Å; A95-L112 HydrophobicContact CB-CG 4.35Å
96	Y	38.9	Very low	40.3	Very low	78 Å²	78	72.2 Å²	72.2	31%	0.306	42%	0.423	S	S	.	.	H	α-helix	trans	-98	-9	-174.7	-59.2	-63.6	0	0	0	114.2	S92 L112 F167	S92-Y96 VanDerWaalsContact C-CD2 3.44Å; S92-Y96 WeakPolarHBondContact O-CB 3.13Å; S92-Y96 WeakPolarHBondContact O-CD2 3.37Å; S92-Y96 PolarHBondContact O-N 2.92Å; Y96-L112 HydrophobicContact CE1-CD1 4.22Å; Y96-L112 HydrophobicContact CE2-CD1 4.47Å; Y96-F167 HydrophobicContact CD1-CE1 4.02Å; Y96-F167 AromaticContact CD1-CZ 3.86Å; Y96-F167 HydrophobicContact CD1-CZ 3.86Å
97	G	38.1	Very low	40	Very low	52 Å²	52	74.1 Å²	74.1	54%	0.536	44%	0.436	S	S	.	.			trans	-86	-1.2	-171.6	0	0	0	0	0	117.6	H93 P99	H93-G97 WeakPolarHBondContact O-CA 3.48Å; H93-G97 PolarHBondContact O-N 3.3Å; G97-P99 VanDerWaalsContact O-CD 3.26Å; G97-P99 WeakPolarHBondContact O-CD 3.46Å
98	C	31.1	Very low	39.8	Very low	58 Å²	58	73.6 Å²	73.6	39%	0.392	43%	0.432	S	S	.	.			trans	-90	107.2	-175.8	-153.1	0	0	0	0	112.3	R100 N104	C98-R100 VanDerWaalsContact C-N 3.3Å; C98-R100 PolarHBondContact O-N 2.92Å; C98-R100 VanDerWaalsContact O-N 3.17Å; C98-N104 PolarHBondContact SG-ND2 3.33Å
99	P	37	Very low	39.8	Very low	127 Å²	127	78.2 Å²	78.2	83%	0.825	45%	0.447	S	S	*	.			trans	-86.4	21.3	-168.2	15	1.8	0	0	0	114.8	G97 G101	G97-P99 VanDerWaalsContact O-CD 3.26Å; G97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-G101 PolarHBondContact O-N 3.42Å
100	R	35.6	Very low	40	Very low	200 Å²	200	83 Å²	83	76%	0.755	46%	0.464	S	S	*	.			trans	-91.8	93.3	171.9	-77.9	-173.9	176.8	174.2	0.2	110.2	C98 N104	C98-R100 VanDerWaalsContact C-N 3.3Å; C98-R100 PolarHBondContact O-N 2.92Å; C98-R100 VanDerWaalsContact O-N 3.17Å; R100-N104 WeakPolarHBondContact O-CB 3.45Å; R100-N104 PolarHBondContact O-ND2 3.35Å
101	G	33	Very low	39.9	Very low	66 Å²	66	81.1 Å²	81.1	68%	0.68	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	147.4	173	0	0	0	0	0	113.4	P99 Q103	P99-G101 PolarHBondContact O-N 3.42Å; G101-Q103 VanDerWaalsContact C-N 3.27Å; G101-Q103 PolarHBondContact O-N 2.84Å
102	A	39.1	Very low	40.1	Very low	109 Å²	109	82.7 Å²	82.7	90%	0.901	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-38.9	172.3	0	0	0	0	0	118.8
103	Q	37.4	Very low	40.3	Very low	179 Å²	179	82.8 Å²	82.8	84%	0.836	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-13.5	-177.6	-132.5	136.1	18.8	0	0	113.7	G101	G101-Q103 VanDerWaalsContact C-N 3.27Å; G101-Q103 PolarHBondContact O-N 2.84Å
104	N	43.5	Very low	40.4	Very low	23 Å²	23	87.3 Å²	87.3	12%	0.123	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3.2	-177.5	-87.6	-10.7	0	0	0	115.2	C98 R100 I106 T107 N108	C98-N104 PolarHBondContact SG-ND2 3.33Å; R100-N104 WeakPolarHBondContact O-CB 3.45Å; R100-N104 PolarHBondContact O-ND2 3.35Å; N104-I106 PolarHBondContact O-N 2.97Å; N104-T107 CarbonylContact O-C 3.59Å; N104-T107 PolarHBondContact O-N 2.89Å; N104-N108 WeakPolarHBondContact O-CB 3.24Å; N104-N108 PolarHBondContact O-N 3.09Å
105	D	45.7	Very low	40.5	Very low	77 Å²	77	85.8 Å²	85.8	41%	0.412	46%	0.464	S	S	.	.	H	α-helix	trans	-58.7	-37.6	-179.2	-161	4.7	0	0	0	111	R109	D105-R109 WeakPolarHBondContact O-CB 3.46Å; D105-R109 WeakPolarHBondContact O-CD 3.49Å; D105-R109 WeakPolarHBondContact O-CG 3.43Å; D105-R109 PolarHBondContact O-N 3.31Å; D105-R109 IonicContact OD1-CZ 3.07Å; D105-R109 IonicContact OD1-NE 2.76Å; D105-R109 PolarHBondContact OD1-NE 3Å; D105-R109 IonicContact OD1-NH2 3.4Å; D105-R109 IonicContact OD2-CZ 3.44Å; D105-R109 IonicContact OD2-NE 2.71Å; D105-R109 IonicContact OD2-NH2 3.36Å; D105-R109 PolarHBondContact OD2-NH2 3.29Å
106	I	45.3	Very low	41	Very low	113 Å²	113	87.2 Å²	87.2	58%	0.579	47%	0.47	S	S	*	.	H	α-helix	trans	-70.6	-42.6	173.2	-61.5	172.1	0	0	0	112	N104 R109 K110	N104-I106 PolarHBondContact O-N 2.97Å; I106-R109 PolarHBondContact O-N 3.27Å; I106-K110 HydrophobicContact CG2-CD 4.28Å; I106-K110 WeakPolarHBondContact O-CB 3.48Å; I106-K110 WeakPolarHBondContact O-CG 3.33Å; I106-K110 PolarHBondContact O-N 3.27Å
107	T	41.4	Very low	41.3	Very low	74 Å²	74	88 Å²	88	45%	0.454	48%	0.48	S	S	.	.	H	α-helix	trans	-69	-45	-177.8	-50.4	0	0	0	0	111.4	N104 K110 L111	N104-T107 CarbonylContact O-C 3.59Å; N104-T107 PolarHBondContact O-N 2.89Å; T107-K110 CarbonylContact O-C 3.59Å; T107-K110 PolarHBondContact O-N 3.35Å; T107-L111 VanDerWaalsContact O-CB 3.29Å; T107-L111 WeakPolarHBondContact O-CB 3.38Å; T107-L111 PolarHBondContact O-N 3.49Å
108	N	41.3	Very low	41.7	Very low	27 Å²	27	89.7 Å²	89.7	14%	0.144	47%	0.474	C	S	.	.	H	α-helix	trans	-63.2	-42.6	173.4	-69.3	-4.4	0	0	0	110	N104 K110 L111 L112	N104-N108 WeakPolarHBondContact O-CB 3.24Å; N104-N108 PolarHBondContact O-N 3.09Å; N108-K110 PolarHBondContact O-N 2.93Å; N108-L111 PolarHBondContact O-N 3.2Å; N108-L112 WeakPolarHBondContact O-CB 3.41Å; N108-L112 PolarHBondContact O-N 3.16Å
109	R	43.4	Very low	42.4	Very low	137 Å²	137	88.4 Å²	88.4	52%	0.517	46%	0.463	S	S	.	.	H	α-helix	trans	-61.4	-42.3	172	-76.7	174.7	-152.9	-162.5	6.8	112.4	D105 I106 L111 A113	D105-R109 WeakPolarHBondContact O-CB 3.46Å; D105-R109 WeakPolarHBondContact O-CD 3.49Å; D105-R109 WeakPolarHBondContact O-CG 3.43Å; D105-R109 PolarHBondContact O-N 3.31Å; D105-R109 IonicContact OD1-CZ 3.07Å; D105-R109 IonicContact OD1-NE 2.76Å; D105-R109 PolarHBondContact OD1-NE 3Å; D105-R109 IonicContact OD1-NH2 3.4Å; D105-R109 IonicContact OD2-CZ 3.44Å; D105-R109 IonicContact OD2-NE 2.71Å; D105-R109 IonicContact OD2-NH2 3.36Å; D105-R109 PolarHBondContact OD2-NH2 3.29Å; I106-R109 PolarHBondContact O-N 3.27Å; R109-L111 VanDerWaalsContact C-N 3.33Å; R109-A113 WeakPolarHBondContact O-CB 3.38Å; R109-A113 PolarHBondContact O-N 3.01Å
110	K	48.1	Very low	42.9	Very low	136 Å²	136	83.8 Å²	83.8	59%	0.591	43%	0.432	S	S	*	.	H	α-helix	trans	-65.1	-38.2	175.7	-78.7	-179.6	-179.1	-179	0	111.6	I106 T107 N108 R114	I106-K110 HydrophobicContact CG2-CD 4.28Å; I106-K110 WeakPolarHBondContact O-CB 3.48Å; I106-K110 WeakPolarHBondContact O-CG 3.33Å; I106-K110 PolarHBondContact O-N 3.27Å; T107-K110 CarbonylContact O-C 3.59Å; T107-K110 PolarHBondContact O-N 3.35Å; N108-K110 PolarHBondContact O-N 2.93Å; K110-R114 WeakPolarHBondContact O-CB 3.3Å; K110-R114 VanDerWaalsContact O-CG 3.29Å; K110-R114 WeakPolarHBondContact O-CG 3.05Å; K110-R114 PolarHBondContact O-N 3.12Å
111	L	40.9	Very low	43.5	Very low	54 Å²	54	78.3 Å²	78.3	28%	0.283	42%	0.418	S	S	.	.	H	α-helix	trans	-73.2	-45	179.6	-168.1	67.4	0	0	0	110.9	A94 T107 N108 R109 A113 R114 V115	A94-L111 WeakPolarHBondContact O-CD2 3.41Å; T107-L111 VanDerWaalsContact O-CB 3.29Å; T107-L111 WeakPolarHBondContact O-CB 3.38Å; T107-L111 PolarHBondContact O-N 3.49Å; N108-L111 PolarHBondContact O-N 3.2Å; R109-L111 VanDerWaalsContact C-N 3.33Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 2.82Å; L111-R114 CarbonylContact O-C 3.57Å; L111-R114 WeakPolarHBondContact O-CB 3.45Å; L111-R114 PolarHBondContact O-N 3.32Å; L111-R114 VanDerWaalsContact O-N 3.1Å; L111-V115 VanDerWaalsContact O-CB 3.29Å; L111-V115 WeakPolarHBondContact O-CB 3.36Å; L111-V115 VanDerWaalsContact O-CG2 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.39Å; L111-V115 PolarHBondContact O-N 3.31Å
112	L	42.5	Very low	44.1	Very low	46 Å²	46	81.3 Å²	81.3	24%	0.241	41%	0.409	C	S	.	.	H	α-helix	trans	-57.8	-44.7	170.9	-164	88.7	0	0	0	110	A95 Y96 N108 R114 V115 Q116	A95-L112 HydrophobicContact CB-CB 4.14Å; A95-L112 HydrophobicContact CB-CD1 3.41Å; A95-L112 VanDerWaalsContact CB-CD1 3.41Å; A95-L112 HydrophobicContact CB-CG 4.35Å; Y96-L112 HydrophobicContact CE1-CD1 4.22Å; Y96-L112 HydrophobicContact CE2-CD1 4.47Å; N108-L112 WeakPolarHBondContact O-CB 3.41Å; N108-L112 PolarHBondContact O-N 3.16Å; L112-R114 VanDerWaalsContact C-N 3.35Å; L112-R114 PolarHBondContact O-N 3.39Å; L112-V115 PolarHBondContact O-N 2.83Å; L112-Q116 WeakPolarHBondContact O-CB 3.13Å; L112-Q116 PolarHBondContact O-N 2.9Å
113	A	45.6	Very low	44.5	Very low	44 Å²	44	77.1 Å²	77.1	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-64.9	-35.6	174.8	0	0	0	0	0	112.6	R109 L111 N117	R109-A113 WeakPolarHBondContact O-CB 3.38Å; R109-A113 PolarHBondContact O-N 3.01Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 2.82Å; A113-N117 WeakPolarHBondContact O-CB 3.25Å; A113-N117 PolarHBondContact O-N 3.43Å; A113-N117 PolarHBondContact O-ND2 2.87Å
114	R	45.4	Very low	44.9	Very low	182 Å²	182	71.6 Å²	71.6	69%	0.687	35%	0.347	S	S	*	.	H	α-helix	trans	-68.2	-42.6	173.4	-82.1	176.8	-179.1	178.7	-0.2	111.7	K110 L111 L112 N117 H118	K110-R114 WeakPolarHBondContact O-CB 3.3Å; K110-R114 VanDerWaalsContact O-CG 3.29Å; K110-R114 WeakPolarHBondContact O-CG 3.05Å; K110-R114 PolarHBondContact O-N 3.12Å; L111-R114 CarbonylContact O-C 3.57Å; L111-R114 WeakPolarHBondContact O-CB 3.45Å; L111-R114 PolarHBondContact O-N 3.32Å; L111-R114 VanDerWaalsContact O-N 3.1Å; L112-R114 VanDerWaalsContact C-N 3.35Å; L112-R114 PolarHBondContact O-N 3.39Å; R114-N117 PolarHBondContact O-N 2.85Å; R114-H118 VanDerWaalsContact O-CB 3.31Å; R114-H118 WeakPolarHBondContact O-CB 3.29Å; R114-H118 PolarHBondContact O-N 3Å
115	V	41.8	Very low	45	Very low	18 Å²	18	75.1 Å²	75.1	11%	0.109	36%	0.363	C	S	.	.	H	α-helix	trans	-63.5	-48.6	177	157.6	0	0	0	0	109.9	C91 A94 L111 L112 H118 I119	C91-V115 HydrophobicContact CB-CB 4.44Å; C91-V115 HydrophobicContact CB-CG1 3.31Å; C91-V115 HydrophobicContact CB-CG2 4.45Å; A94-V115 HydrophobicContact CB-CG2 4.4Å; L111-V115 VanDerWaalsContact O-CB 3.29Å; L111-V115 WeakPolarHBondContact O-CB 3.36Å; L111-V115 VanDerWaalsContact O-CG2 3.3Å; L111-V115 WeakPolarHBondContact O-CG2 3.39Å; L111-V115 PolarHBondContact O-N 3.31Å; L112-V115 PolarHBondContact O-N 2.83Å; V115-H118 CarbonylContact O-C 3.55Å; V115-H118 WeakPolarHBondContact O-CA 3.38Å; V115-H118 WeakPolarHBondContact O-CB 3.48Å; V115-H118 PolarHBondContact O-N 3Å; V115-I119 HydrophobicContact CG1-CD1 3.95Å; V115-I119 WeakPolarHBondContact O-CG1 2.84Å; V115-I119 PolarHBondContact O-N 3.09Å
116	Q	45.7	Very low	45	Very low	31 Å²	31	74.2 Å²	74.2	15%	0.145	36%	0.358	C	S	.	.	H	α-helix	trans	-62.7	-46.3	177	-167.7	169.2	26	0	0	110.1	L112 H118 I119 T120 L157	L112-Q116 WeakPolarHBondContact O-CB 3.13Å; L112-Q116 PolarHBondContact O-N 2.9Å; Q116-H118 VanDerWaalsContact C-N 3.26Å; Q116-H118 PolarHBondContact O-N 3.23Å; Q116-I119 PolarHBondContact O-N 2.91Å; Q116-T120 VanDerWaalsContact O-CB 3.23Å; Q116-T120 WeakPolarHBondContact O-CB 3.42Å; Q116-T120 PolarHBondContact O-N 3.33Å; Q116-T120 PolarHBondContact O-OG1 3.28Å; Q116-L157 VanDerWaalsContact CD-CD2 3.48Å; Q116-L157 HydrophobicContact CG-CD2 3.93Å
117	N	46.5	Very low	44.8	Very low	95 Å²	95	69.4 Å²	69.4	51%	0.508	33%	0.333	S	S	.	.	H	α-helix	trans	-59.1	-37.1	170.6	-93.4	-33.9	0	0	0	112.1	A113 R114 N121	A113-N117 WeakPolarHBondContact O-CB 3.25Å; A113-N117 PolarHBondContact O-N 3.43Å; A113-N117 PolarHBondContact O-ND2 2.87Å; R114-N117 PolarHBondContact O-N 2.85Å; N117-N121 WeakPolarHBondContact O-CA 3.41Å; N117-N121 WeakPolarHBondContact O-CB 3.23Å; N117-N121 PolarHBondContact O-N 3.35Å; N117-N121 PolarHBondContact O-ND2 3.17Å; N117-N121 VanDerWaalsContact O-ND2 3.09Å
118	H	45.7	Very low	44.8	Very low	88 Å²	88	68.6 Å²	68.6	41%	0.407	33%	0.325	S	S	.	.	H	α-helix	trans	-68.3	-46.2	178.2	-170.9	68.4	0	0	0	111.4	R114 V115 Q116 R122	R114-H118 VanDerWaalsContact O-CB 3.31Å; R114-H118 WeakPolarHBondContact O-CB 3.29Å; R114-H118 PolarHBondContact O-N 3Å; V115-H118 CarbonylContact O-C 3.55Å; V115-H118 WeakPolarHBondContact O-CA 3.38Å; V115-H118 WeakPolarHBondContact O-CB 3.48Å; V115-H118 PolarHBondContact O-N 3Å; Q116-H118 VanDerWaalsContact C-N 3.26Å; Q116-H118 PolarHBondContact O-N 3.23Å; H118-R122 PolarHBondContact NE2-NH1 2.78Å; H118-R122 WeakPolarHBondContact O-CB 3.37Å; H118-R122 PolarHBondContact O-N 2.9Å
119	I	46.3	Very low	45.1	Very low	31 Å²	31	73.9 Å²	73.9	16%	0.159	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-52	175.3	-67.2	167.7	0	0	0	109.6	I88 C91 V115 Q116 N121 R122 M123	I88-I119 HydrophobicContact CG1-CD1 4.4Å; C91-I119 HydrophobicContact CB-CD1 3.65Å; C91-I119 HydrophobicContact CB-CG1 4.11Å; V115-I119 HydrophobicContact CG1-CD1 3.95Å; V115-I119 WeakPolarHBondContact O-CG1 2.84Å; V115-I119 PolarHBondContact O-N 3.09Å; Q116-I119 PolarHBondContact O-N 2.91Å; I119-N121 PolarHBondContact O-N 2.91Å; I119-R122 PolarHBondContact O-N 3.37Å; I119-M123 HydrophobicContact CG2-CG 4.3Å; I119-M123 HydrophobicContact CG2-SD 3.66Å; I119-M123 VanDerWaalsContact O-CB 3.29Å; I119-M123 WeakPolarHBondContact O-CB 3.16Å; I119-M123 WeakPolarHBondContact O-CG 3.03Å; I119-M123 PolarHBondContact O-N 3.03Å
120	T	47.3	Very low	45.1	Very low	30 Å²	30	71.8 Å²	71.8	18%	0.184	35%	0.349	C	S	.	.	H	α-helix	trans	-60.9	-45.3	179.3	-58.6	0	0	0	0	111.2	Q116 R122 L124 I153	Q116-T120 VanDerWaalsContact O-CB 3.23Å; Q116-T120 WeakPolarHBondContact O-CB 3.42Å; Q116-T120 PolarHBondContact O-N 3.33Å; Q116-T120 PolarHBondContact O-OG1 3.28Å; T120-R122 VanDerWaalsContact C-N 3.35Å; T120-R122 PolarHBondContact O-N 3.44Å; T120-L124 WeakPolarHBondContact O-CB 3.41Å; T120-L124 PolarHBondContact O-N 3.18Å; T120-I153 HydrophobicContact CG2-CD1 4.12Å; T120-I153 HydrophobicContact CG2-CG1 4.47Å; T120-I153 HydrophobicContact CG2-CG2 3.92Å
121	N	46.9	Very low	44.8	Very low	85 Å²	85	71.2 Å²	71.2	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-38.5	177.4	-72	-21.6	0	0	0	111.3	N117 I119 L124 M125	N117-N121 WeakPolarHBondContact O-CA 3.41Å; N117-N121 WeakPolarHBondContact O-CB 3.23Å; N117-N121 PolarHBondContact O-N 3.35Å; N117-N121 PolarHBondContact O-ND2 3.17Å; N117-N121 VanDerWaalsContact O-ND2 3.09Å; I119-N121 PolarHBondContact O-N 2.91Å; N121-L124 PolarHBondContact O-N 2.7Å; N121-M125 WeakPolarHBondContact O-CB 3.45Å; N121-M125 WeakPolarHBondContact O-CG 3.27Å; N121-M125 PolarHBondContact O-N 3.45Å
122	R	47.1	Very low	44.8	Very low	129 Å²	129	70.6 Å²	70.6	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-73.5	-38.5	-179.9	-162.6	168.4	-173.4	144	0.2	111.5	H118 I119 T120 M125 M126	H118-R122 PolarHBondContact NE2-NH1 2.78Å; H118-R122 WeakPolarHBondContact O-CB 3.37Å; H118-R122 PolarHBondContact O-N 2.9Å; I119-R122 PolarHBondContact O-N 3.37Å; T120-R122 VanDerWaalsContact C-N 3.35Å; T120-R122 PolarHBondContact O-N 3.44Å; R122-M125 PolarHBondContact O-N 2.96Å; R122-M126 WeakPolarHBondContact O-CB 3.35Å; R122-M126 VanDerWaalsContact O-CG 3.32Å; R122-M126 WeakPolarHBondContact O-CG 3.2Å; R122-M126 PolarHBondContact O-N 3.4Å
123	M	46.4	Very low	44.6	Very low	20 Å²	20	69 Å²	69	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-46.4	168.2	-77.3	174.9	55.2	0	0	110.8	F65 I119 M125 M126 L127	F65-M123 HydrophobicContact CD2-CE 4.05Å; F65-M123 HydrophobicContact CE1-CE 4.33Å; F65-M123 HydrophobicContact CE1-SD 4.29Å; F65-M123 HydrophobicContact CE2-CE 3.04Å; F65-M123 HydrophobicContact CE2-SD 4.01Å; F65-M123 HydrophobicContact CZ-CE 3.22Å; F65-M123 HydrophobicContact CZ-CG 4.24Å; F65-M123 HydrophobicContact CZ-SD 3.62Å; I119-M123 HydrophobicContact CG2-CG 4.3Å; I119-M123 HydrophobicContact CG2-SD 3.66Å; I119-M123 VanDerWaalsContact O-CB 3.29Å; I119-M123 WeakPolarHBondContact O-CB 3.16Å; I119-M123 WeakPolarHBondContact O-CG 3.03Å; I119-M123 PolarHBondContact O-N 3.03Å; M123-M125 VanDerWaalsContact C-N 3.34Å; M123-M125 PolarHBondContact O-N 2.88Å; M123-M126 HydrophobicContact CG-CE 4.1Å; M123-M126 PolarHBondContact O-N 3.3Å; M123-L127 WeakPolarHBondContact O-CB 3.16Å; M123-L127 WeakPolarHBondContact O-CG 3.42Å; M123-L127 PolarHBondContact O-N 3.45Å
124	L	45.7	Very low	44.2	Very low	64 Å²	64	68.8 Å²	68.8	34%	0.335	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-44.9	176.5	-172.1	75	0	0	0	111	T120 N121 L127 L128 I133	T120-L124 WeakPolarHBondContact O-CB 3.41Å; T120-L124 PolarHBondContact O-N 3.18Å; N121-L124 PolarHBondContact O-N 2.7Å; L124-L127 PolarHBondContact O-N 2.92Å; L124-L128 HydrophobicContact CD2-CD1 4.48Å; L124-L128 HydrophobicContact CG-CD1 4.06Å; L124-L128 WeakPolarHBondContact O-CB 3.47Å; L124-L128 VanDerWaalsContact O-CG 3.25Å; L124-L128 WeakPolarHBondContact O-CG 3.46Å; L124-L128 PolarHBondContact O-N 3.1Å; L124-I133 HydrophobicContact CD1-CD1 3.82Å
125	M	47	Very low	44	Very low	96 Å²	96	64.1 Å²	64.1	47%	0.473	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-44.1	175.8	-73.1	-62.1	-65	0	0	111.3	N121 R122 M123 L127 L128 E129	N121-M125 WeakPolarHBondContact O-CB 3.45Å; N121-M125 WeakPolarHBondContact O-CG 3.27Å; N121-M125 PolarHBondContact O-N 3.45Å; R122-M125 PolarHBondContact O-N 2.96Å; M123-M125 VanDerWaalsContact C-N 3.34Å; M123-M125 PolarHBondContact O-N 2.88Å; M125-L127 VanDerWaalsContact C-N 3.28Å; M125-L127 PolarHBondContact O-N 2.81Å; M125-L128 PolarHBondContact O-N 2.71Å; M125-L128 HydrophobicContact SD-CD1 4.37Å; M125-E129 VanDerWaalsContact O-CB 3.25Å; M125-E129 WeakPolarHBondContact O-CB 3.21Å; M125-E129 VanDerWaalsContact O-CG 3.24Å; M125-E129 WeakPolarHBondContact O-CG 3.38Å; M125-E129 PolarHBondContact O-N 2.97Å
126	M	44.3	Very low	43.7	Very low	59 Å²	59	75.2 Å²	75.2	29%	0.291	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-39.3	174.2	-75	-176.1	-63.2	0	0	111.6	R122 M123 N130	R122-M126 WeakPolarHBondContact O-CB 3.35Å; R122-M126 VanDerWaalsContact O-CG 3.32Å; R122-M126 WeakPolarHBondContact O-CG 3.2Å; R122-M126 PolarHBondContact O-N 3.4Å; M123-M126 HydrophobicContact CG-CE 4.1Å; M123-M126 PolarHBondContact O-N 3.3Å; M126-N130 WeakPolarHBondContact O-CB 2.99Å; M126-N130 PolarHBondContact O-N 3.44Å; M126-N130 VanDerWaalsContact O-N 3.11Å; M126-N130 PolarHBondContact O-ND2 3.45Å
127	L	40.9	Very low	43.1	Very low	11 Å²	11	78.1 Å²	78.1	6%	0.058	39%	0.394	C	S	.	.	H	α-helix	trans	-70	-35.1	177.4	-67.8	168.3	0	0	0	112.3	I74 M123 L124 M125 I132 I133 V149	I74-L127 HydrophobicContact CD1-CD2 3.84Å; I74-L127 HydrophobicContact CG1-CD2 3.99Å; I74-L127 HydrophobicContact CG2-CD2 3.8Å; M123-L127 WeakPolarHBondContact O-CB 3.16Å; M123-L127 WeakPolarHBondContact O-CG 3.42Å; M123-L127 PolarHBondContact O-N 3.45Å; L124-L127 PolarHBondContact O-N 2.92Å; M125-L127 VanDerWaalsContact C-N 3.28Å; M125-L127 PolarHBondContact O-N 2.81Å; L127-I132 HydrophobicContact CD2-CB 4.13Å; L127-I132 HydrophobicContact CD2-CD1 4.18Å; L127-I132 HydrophobicContact CD2-CG2 3.97Å; L127-I132 WeakPolarHBondContact O-CA 3.36Å; L127-I132 WeakPolarHBondContact O-CB 3.24Å; L127-I132 PolarHBondContact O-N 3.33Å; L127-I133 HydrophobicContact CB-CD1 3.57Å; L127-I133 HydrophobicContact CB-CG1 3.97Å; L127-I133 HydrophobicContact CD1-CD1 4.1Å; L127-I133 HydrophobicContact CG-CD1 4.46Å; L127-I133 PolarHBondContact O-N 3.11Å; L127-I133 VanDerWaalsContact O-N 3.16Å; L127-V149 HydrophobicContact CD1-CB 4.38Å; L127-V149 HydrophobicContact CD1-CG1 3.44Å; L127-V149 VanDerWaalsContact CD1-CG1 3.44Å; L127-V149 HydrophobicContact CD1-CG2 3.98Å
128	L	42.2	Very low	42.7	Very low	57 Å²	57	82.2 Å²	82.2	30%	0.298	42%	0.416	S	S	.	.	H	α-helix	trans	-72.3	-43.6	174.1	-72	167.5	0	0	0	112	L124 M125 N130 D131 I133	L124-L128 HydrophobicContact CD2-CD1 4.48Å; L124-L128 HydrophobicContact CG-CD1 4.06Å; L124-L128 WeakPolarHBondContact O-CB 3.47Å; L124-L128 VanDerWaalsContact O-CG 3.25Å; L124-L128 WeakPolarHBondContact O-CG 3.46Å; L124-L128 PolarHBondContact O-N 3.1Å; M125-L128 PolarHBondContact O-N 2.71Å; M125-L128 HydrophobicContact SD-CD1 4.37Å; L128-N130 VanDerWaalsContact C-N 3.29Å; L128-N130 PolarHBondContact O-N 3.37Å; L128-D131 PolarHBondContact O-N 3.34Å; L128-D131 VanDerWaalsContact O-N 3.16Å; L128-I133 HydrophobicContact CD2-CB 3.98Å; L128-I133 HydrophobicContact CD2-CG2 4Å
129	E	47.2	Very low	42.4	Very low	138 Å²	138	81 Å²	81	65%	0.645	43%	0.427	S	S	*	.	H	α-helix	trans	-67.1	-29.6	-178.9	-77.1	173.5	-177.4	0	0	112.6	M125 D131	M125-E129 VanDerWaalsContact O-CB 3.25Å; M125-E129 WeakPolarHBondContact O-CB 3.21Å; M125-E129 VanDerWaalsContact O-CG 3.24Å; M125-E129 WeakPolarHBondContact O-CG 3.38Å; M125-E129 PolarHBondContact O-N 2.97Å; E129-D131 VanDerWaalsContact C-N 3.3Å
130	N	43.5	Very low	42.3	Very low	94 Å²	94	87.2 Å²	87.2	50%	0.503	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	14.9	176	-69.2	-80.8	0	0	0	112.7	M126 L128 I132	M126-N130 WeakPolarHBondContact O-CB 2.99Å; M126-N130 PolarHBondContact O-N 3.44Å; M126-N130 VanDerWaalsContact O-N 3.11Å; M126-N130 PolarHBondContact O-ND2 3.45Å; L128-N130 VanDerWaalsContact C-N 3.29Å; L128-N130 PolarHBondContact O-N 3.37Å; N130-I132 HydrophobicContact CB-CD1 3.78Å; N130-I132 HydrophobicContact CB-CG1 3.74Å; N130-I132 VanDerWaalsContact O-CG1 3.32Å; N130-I132 WeakPolarHBondContact O-CG1 3.16Å; N130-I132 PolarHBondContact O-N 3.24Å
131	D	41.6	Very low	41.9	Very low	124 Å²	124	92.9 Å²	92.9	66%	0.663	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	23.9	-178.1	-75.2	-36.5	0	0	0	114.3	L128 E129 I133	L128-D131 PolarHBondContact O-N 3.34Å; L128-D131 VanDerWaalsContact O-N 3.16Å; E129-D131 VanDerWaalsContact C-N 3.3Å; D131-I133 VanDerWaalsContact C-N 3.31Å
132	I	41.5	Very low	41.6	Very low	40 Å²	40	93.2 Å²	93.2	21%	0.205	49%	0.492	C	S	.	.	S	Bend	trans	-78.8	-24.8	179.6	-50.2	-173.9	0	0	0	110.1	I74 L127 N130	I74-I132 HydrophobicContact CB-CD1 3.85Å; I74-I132 HydrophobicContact CG1-CD1 3.52Å; I74-I132 HydrophobicContact CG1-CG2 4.29Å; I74-I132 HydrophobicContact CG2-CD1 3.9Å; L127-I132 HydrophobicContact CD2-CB 4.13Å; L127-I132 HydrophobicContact CD2-CD1 4.18Å; L127-I132 HydrophobicContact CD2-CG2 3.97Å; L127-I132 WeakPolarHBondContact O-CA 3.36Å; L127-I132 WeakPolarHBondContact O-CB 3.24Å; L127-I132 PolarHBondContact O-N 3.33Å; N130-I132 HydrophobicContact CB-CD1 3.78Å; N130-I132 HydrophobicContact CB-CG1 3.74Å; N130-I132 VanDerWaalsContact O-CG1 3.32Å; N130-I132 WeakPolarHBondContact O-CG1 3.16Å; N130-I132 PolarHBondContact O-N 3.24Å
133	I	37.1	Very low	41.3	Very low	13 Å²	13	91.5 Å²	91.5	7%	0.067	50%	0.499	C	S	.	.	S	Bend	trans	-115.7	109.9	167.5	-58.5	168.9	0	0	0	106.5	L124 L127 L128 D131 S135 E146 V149	L124-I133 HydrophobicContact CD1-CD1 3.82Å; L127-I133 HydrophobicContact CB-CD1 3.57Å; L127-I133 HydrophobicContact CB-CG1 3.97Å; L127-I133 HydrophobicContact CD1-CD1 4.1Å; L127-I133 HydrophobicContact CG-CD1 4.46Å; L127-I133 PolarHBondContact O-N 3.11Å; L127-I133 VanDerWaalsContact O-N 3.16Å; L128-I133 HydrophobicContact CD2-CB 3.98Å; L128-I133 HydrophobicContact CD2-CG2 4Å; D131-I133 VanDerWaalsContact C-N 3.31Å; I133-S135 PolarHBondContact O-N 3.31Å; I133-S135 VanDerWaalsContact O-N 3.13Å; I133-E146 HydrophobicContact CG2-CG 4.06Å; I133-V149 HydrophobicContact CD1-CG1 4.17Å
134	P	37.9	Very low	41	Very low	39 Å²	39	101 Å²	101	25%	0.253	53%	0.533	S	S	.	.			trans	-59.7	122	-179.4	-13.2	20.2	0	0	0	110	R136 D142	P134-R136 PolarHBondContact O-N 3.01Å; P134-D142 HydrophobicContact CG-CB 3.43Å; P134-D142 VanDerWaalsContact CG-CB 3.43Å; P134-D142 WeakPolarHBondContact CG-OD2 3.3Å
135	S	40.9	Very low	40.7	Very low	85 Å²	85	100.8 Å²	100.8	59%	0.594	53%	0.532	S	S	*	.			trans	-73.1	75.5	175.8	56.3	0	0	0	0	110.2	I133 S137	I133-S135 PolarHBondContact O-N 3.31Å; I133-S135 VanDerWaalsContact O-N 3.13Å; S135-S137 PolarHBondContact O-N 3.26Å
136	R	35.8	Very low	40.4	Very low	251 Å²	251	99.7 Å²	99.7	95%	0.947	53%	0.526	S	S	*	.	S	Bend	trans	38.2	79.9	177.5	-89.4	-174.1	171.4	179.2	-1.5	113.3	P134	P134-R136 PolarHBondContact O-N 3.01Å
137	S	33.7	Very low	40.5	Very low	92 Å²	92	100.8 Å²	100.8	64%	0.643	53%	0.531	S	S	*	.			trans	-142.4	114.6	164.1	57.8	0	0	0	0	111	S135 G139	S135-S137 PolarHBondContact O-N 3.26Å; S137-G139 PolarHBondContact O-N 2.94Å
138	N	38.4	Very low	40.6	Very low	180 Å²	180	102.4 Å²	102.4	96%	0.963	55%	0.546	S	S	*	.	S	Bend	trans	-7.1	105.8	164.3	-77.9	-12.3	0	0	0	115.6
139	G	39.7	Very low	40.5	Very low	63 Å²	63	100.5 Å²	100.5	65%	0.649	54%	0.536	S	S	*	.			trans	168.1	112.2	170.7	0	0	0	0	0	110.6	S137 N141	S137-G139 PolarHBondContact O-N 2.94Å; G139-N141 PolarHBondContact O-N 3.18Å
140	D	42.4	Very low	40.4	Very low	161 Å²	161	99 Å²	99	86%	0.861	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	33.1	-161.5	-141.3	2.3	0	0	0	115.3
141	N	39.4	Very low	40.3	Very low	149 Å²	149	101.6 Å²	101.6	80%	0.797	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	-4.6	-171.8	-88.9	-22.1	0	0	0	119.1	G139	G139-N141 PolarHBondContact O-N 3.18Å
142	D	41.7	Very low	40.4	Very low	92 Å²	92	98.8 Å²	98.8	49%	0.492	52%	0.515	S	S	.	.			trans	-107.8	10.3	-173.9	-81.3	-26.9	0	0	0	116.6	P134 R144 D145	P134-D142 HydrophobicContact CG-CB 3.43Å; P134-D142 VanDerWaalsContact CG-CB 3.43Å; P134-D142 WeakPolarHBondContact CG-OD2 3.3Å; D142-R144 PolarHBondContact O-N 3.42Å; D142-D145 PolarHBondContact O-N 3.49Å
143	C	39.4	Very low	40.4	Very low	94 Å²	94	98 Å²	98	64%	0.635	51%	0.511	S	S	*	.	H	α-helix	trans	-66.6	-9.9	-177.3	43.8	0	0	0	0	115.1	E147	C143-E147 WeakPolarHBondContact O-CB 3.33Å
144	R	40	Very low	40.6	Very low	219 Å²	219	101.7 Å²	101.7	83%	0.826	53%	0.528	S	S	*	.	H	α-helix	trans	-81	-36.5	178.5	-80.8	-171.1	-116	-166.4	-1.5	114.2	D142 A148	D142-R144 PolarHBondContact O-N 3.42Å; R144-A148 WeakPolarHBondContact O-CB 3.25Å; R144-A148 PolarHBondContact O-N 2.86Å
145	D	40.3	Very low	40.8	Very low	59 Å²	59	104.2 Å²	104.2	32%	0.316	54%	0.542	S	S	.	.	H	α-helix	trans	-80.1	-36.6	-176.8	-75.3	-43	0	0	0	111.8	K72 D142 E147 A148 V149	K72-D145 IonicContact NZ-OD1 3.54Å; K72-D145 PolarHBondContact NZ-OD1 2.93Å; D142-D145 PolarHBondContact O-N 3.49Å; D145-E147 VanDerWaalsContact C-N 3.33Å; D145-E147 PolarHBondContact O-N 3.37Å; D145-A148 PolarHBondContact O-N 2.96Å; D145-V149 WeakPolarHBondContact O-CG2 3.26Å; D145-V149 PolarHBondContact O-N 3.41Å
146	E	40.8	Very low	40.7	Very low	73 Å²	73	102.2 Å²	102.2	34%	0.341	53%	0.525	S	S	.	.	H	α-helix	trans	-61.3	-42.4	172.8	-169.6	-173.9	165	0	0	111.4	I133 V149 K150	I133-E146 HydrophobicContact CG2-CG 4.06Å; E146-V149 PolarHBondContact O-N 3Å; E146-K150 HydrophobicContact CG-CD 4.46Å; E146-K150 WeakPolarHBondContact O-CB 3.44Å; E146-K150 WeakPolarHBondContact O-CG 3.43Å; E146-K150 PolarHBondContact O-N 3.32Å; E146-K150 WeakPolarHBondContact OE1-CE 3.41Å; E146-K150 IonicContact OE1-NZ 2.8Å; E146-K150 PolarHBondContact OE1-NZ 3.48Å
147	E	45.8	Very low	40.7	Very low	83 Å²	83	93.3 Å²	93.3	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-67.4	-38.4	176.7	-178.8	63.7	-167.6	0	0	111.8	C143 D145 K150 R151	C143-E147 WeakPolarHBondContact O-CB 3.33Å; D145-E147 VanDerWaalsContact C-N 3.33Å; D145-E147 PolarHBondContact O-N 3.37Å; E147-K150 PolarHBondContact O-N 2.83Å; E147-R151 WeakPolarHBondContact O-CB 3.5Å; E147-R151 VanDerWaalsContact O-CG 3.24Å; E147-R151 WeakPolarHBondContact O-CG 3.26Å; E147-R151 PolarHBondContact O-N 2.9Å; E147-R151 IonicContact OE1-CZ 3.68Å; E147-R151 IonicContact OE1-NE 2.66Å; E147-R151 PolarHBondContact OE1-NE 3.19Å; E147-R151 IonicContact OE1-NH2 2.71Å; E147-R151 PolarHBondContact OE1-NH2 2.92Å; E147-R151 VanDerWaalsContact OE1-NH2 3.07Å
148	A	43	Very low	40.9	Very low	45 Å²	45	97.2 Å²	97.2	37%	0.372	50%	0.496	S	S	.	.	H	α-helix	trans	-64.3	-43.2	176.2	0	0	0	0	0	112.1	R144 D145 R151 L152	R144-A148 WeakPolarHBondContact O-CB 3.25Å; R144-A148 PolarHBondContact O-N 2.86Å; D145-A148 PolarHBondContact O-N 2.96Å; A148-R151 PolarHBondContact O-N 2.89Å; A148-L152 PolarHBondContact O-N 3.39Å
149	V	40.8	Very low	40.7	Very low	17 Å²	17	90.1 Å²	90.1	10%	0.103	46%	0.462	C	S	.	.	H	α-helix	trans	-64.8	-46	175.2	170.5	0	0	0	0	110.9	L127 I133 D145 E146 R151 L152 I153	L127-V149 HydrophobicContact CD1-CB 4.38Å; L127-V149 HydrophobicContact CD1-CG1 3.44Å; L127-V149 VanDerWaalsContact CD1-CG1 3.44Å; L127-V149 HydrophobicContact CD1-CG2 3.98Å; I133-V149 HydrophobicContact CD1-CG1 4.17Å; D145-V149 WeakPolarHBondContact O-CG2 3.26Å; D145-V149 PolarHBondContact O-N 3.41Å; E146-V149 PolarHBondContact O-N 3Å; V149-R151 VanDerWaalsContact C-N 3.27Å; V149-R151 PolarHBondContact O-N 3.22Å; V149-L152 WeakPolarHBondContact O-CB 3.26Å; V149-L152 PolarHBondContact O-N 2.98Å; V149-L152 VanDerWaalsContact O-N 3.12Å; V149-I153 HydrophobicContact CG1-CD1 3.84Å; V149-I153 HydrophobicContact CG1-CG1 4.38Å; V149-I153 WeakPolarHBondContact O-CG1 3.32Å; V149-I153 PolarHBondContact O-N 2.89Å
150	K	44.1	Very low	40.4	Very low	105 Å²	105	90.5 Å²	90.5	46%	0.457	45%	0.45	S	S	.	.	H	α-helix	trans	-56.5	-44.2	176.5	-79.8	175.6	-175.2	164.5	0	111.1	E146 E147 I153 E154	E146-K150 HydrophobicContact CG-CD 4.46Å; E146-K150 WeakPolarHBondContact O-CB 3.44Å; E146-K150 WeakPolarHBondContact O-CG 3.43Å; E146-K150 PolarHBondContact O-N 3.32Å; E146-K150 WeakPolarHBondContact OE1-CE 3.41Å; E146-K150 IonicContact OE1-NZ 2.8Å; E146-K150 PolarHBondContact OE1-NZ 3.48Å; E147-K150 PolarHBondContact O-N 2.83Å; K150-I153 PolarHBondContact O-N 3.41Å; K150-E154 WeakPolarHBondContact O-CB 3.46Å; K150-E154 PolarHBondContact O-N 3.3Å
151	R	42.4	Very low	39.6	Very low	150 Å²	150	91.3 Å²	91.3	57%	0.566	45%	0.446	S	S	*	.	H	α-helix	trans	-62.8	-41.5	175.6	-74	175.7	-173.8	-157.1	2.6	112.5	E147 A148 V149 E154 V155	E147-R151 WeakPolarHBondContact O-CB 3.5Å; E147-R151 VanDerWaalsContact O-CG 3.24Å; E147-R151 WeakPolarHBondContact O-CG 3.26Å; E147-R151 PolarHBondContact O-N 2.9Å; E147-R151 IonicContact OE1-CZ 3.68Å; E147-R151 IonicContact OE1-NE 2.66Å; E147-R151 PolarHBondContact OE1-NE 3.19Å; E147-R151 IonicContact OE1-NH2 2.71Å; E147-R151 PolarHBondContact OE1-NH2 2.92Å; E147-R151 VanDerWaalsContact OE1-NH2 3.07Å; A148-R151 PolarHBondContact O-N 2.89Å; V149-R151 VanDerWaalsContact C-N 3.27Å; V149-R151 PolarHBondContact O-N 3.22Å; R151-E154 PolarHBondContact O-N 2.9Å; R151-V155 VanDerWaalsContact O-CG2 3.27Å; R151-V155 WeakPolarHBondContact O-CG2 3.46Å; R151-V155 PolarHBondContact O-N 2.84Å
152	L	42.4	Very low	39.3	Very low	64 Å²	64	93.1 Å²	93.1	34%	0.335	45%	0.447	S	S	.	.	H	α-helix	trans	-62.8	-47	177	-173.7	69.6	0	0	0	111.4	F65 A148 V149 E154 V155 L156	F65-L152 HydrophobicContact CD2-CD2 4.05Å; F65-L152 HydrophobicContact CE2-CD2 4.17Å; A148-L152 PolarHBondContact O-N 3.39Å; V149-L152 WeakPolarHBondContact O-CB 3.26Å; V149-L152 PolarHBondContact O-N 2.98Å; V149-L152 VanDerWaalsContact O-N 3.12Å; L152-E154 VanDerWaalsContact C-N 3.29Å; L152-E154 PolarHBondContact O-N 3.43Å; L152-V155 PolarHBondContact O-N 3.46Å; L152-L156 HydrophobicContact CG-CD1 4.41Å; L152-L156 WeakPolarHBondContact O-CG 3.24Å; L152-L156 PolarHBondContact O-N 2.97Å
153	I	41.7	Very low	38.9	Very low	25 Å²	25	95.4 Å²	95.4	13%	0.128	45%	0.448	C	S	.	.	H	α-helix	trans	-58.8	-45	174.1	-67.1	169.7	0	0	0	109.6	T120 V149 K150 V155 L156 L157	T120-I153 HydrophobicContact CG2-CD1 4.12Å; T120-I153 HydrophobicContact CG2-CG1 4.47Å; T120-I153 HydrophobicContact CG2-CG2 3.92Å; V149-I153 HydrophobicContact CG1-CD1 3.84Å; V149-I153 HydrophobicContact CG1-CG1 4.38Å; V149-I153 WeakPolarHBondContact O-CG1 3.32Å; V149-I153 PolarHBondContact O-N 2.89Å; K150-I153 PolarHBondContact O-N 3.41Å; I153-V155 PolarHBondContact O-N 2.77Å; I153-L156 PolarHBondContact O-N 2.92Å; I153-L157 HydrophobicContact CG2-CD1 3.88Å; I153-L157 HydrophobicContact CG2-CG 4.13Å; I153-L157 WeakPolarHBondContact O-CB 3.43Å; I153-L157 WeakPolarHBondContact O-CG 3.06Å; I153-L157 PolarHBondContact O-N 3.33Å
154	E	42.9	Very low	38.3	Very low	90 Å²	90	98.9 Å²	98.9	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-63.9	-38.2	-179.8	-152.7	-173.7	170.9	0	0	112.7	K150 R151 L152 L157 R158	K150-E154 WeakPolarHBondContact O-CB 3.46Å; K150-E154 PolarHBondContact O-N 3.3Å; R151-E154 PolarHBondContact O-N 2.9Å; L152-E154 VanDerWaalsContact C-N 3.29Å; L152-E154 PolarHBondContact O-N 3.43Å; E154-L157 PolarHBondContact O-N 3.49Å; E154-R158 WeakPolarHBondContact O-CB 3.47Å; E154-R158 VanDerWaalsContact O-CG 3.26Å; E154-R158 WeakPolarHBondContact O-CG 3.21Å; E154-R158 PolarHBondContact O-N 3.17Å; E154-R158 IonicContact OE1-CZ 3.53Å; E154-R158 IonicContact OE1-NE 2.9Å; E154-R158 PolarHBondContact OE1-NE 2.83Å; E154-R158 IonicContact OE1-NH2 3.61Å; E154-R158 PolarHBondContact OE1-NH2 3.4Å
155	V	41.1	Very low	37.7	Very low	91 Å²	91	93 Å²	93	55%	0.552	44%	0.439	S	S	*	.	H	α-helix	trans	-62.9	-49	174.1	169	0	0	0	0	110.6	R151 L152 I153 L157 R158 A159	R151-V155 VanDerWaalsContact O-CG2 3.27Å; R151-V155 WeakPolarHBondContact O-CG2 3.46Å; R151-V155 PolarHBondContact O-N 2.84Å; L152-V155 PolarHBondContact O-N 3.46Å; I153-V155 PolarHBondContact O-N 2.77Å; V155-L157 VanDerWaalsContact C-N 3.33Å; V155-L157 PolarHBondContact O-N 2.98Å; V155-R158 PolarHBondContact O-N 3.38Å; V155-A159 WeakPolarHBondContact O-CB 3.41Å; V155-A159 PolarHBondContact O-N 3.16Å
156	L	38.5	Very low	37.1	Very low	44 Å²	44	96.6 Å²	96.6	23%	0.23	46%	0.463	C	S	.	.	H	α-helix	trans	-62.7	-38.5	177.9	-69	170.5	0	0	0	112.1	L152 I153 N160	L152-L156 HydrophobicContact CG-CD1 4.41Å; L152-L156 WeakPolarHBondContact O-CG 3.24Å; L152-L156 PolarHBondContact O-N 2.97Å; I153-L156 PolarHBondContact O-N 2.92Å; L156-N160 PolarHBondContact O-N 3.25Å
157	L	36.6	Very low	36.5	Very low	64 Å²	64	98.6 Å²	98.6	34%	0.335	47%	0.471	S	S	.	.	H	α-helix	trans	-64.9	-44.8	174.4	-70.7	177.2	0	0	0	110.9	Q116 I153 E154 V155 F161	Q116-L157 VanDerWaalsContact CD-CD2 3.48Å; Q116-L157 HydrophobicContact CG-CD2 3.93Å; I153-L157 HydrophobicContact CG2-CD1 3.88Å; I153-L157 HydrophobicContact CG2-CG 4.13Å; I153-L157 WeakPolarHBondContact O-CB 3.43Å; I153-L157 WeakPolarHBondContact O-CG 3.06Å; I153-L157 PolarHBondContact O-N 3.33Å; E154-L157 PolarHBondContact O-N 3.49Å; V155-L157 VanDerWaalsContact C-N 3.33Å; V155-L157 PolarHBondContact O-N 2.98Å; L157-F161 WeakPolarHBondContact O-CD2 3.4Å; L157-F161 PolarHBondContact O-N 2.88Å
158	R	37.4	Very low	35.7	Very low	174 Å²	174	103.8 Å²	103.8	66%	0.657	50%	0.495	S	S	*	.	H	α-helix	trans	-70.5	-36.2	-177.5	-76.6	179.1	-174.8	-152.9	5.8	113.3	E154 V155	E154-R158 WeakPolarHBondContact O-CB 3.47Å; E154-R158 VanDerWaalsContact O-CG 3.26Å; E154-R158 WeakPolarHBondContact O-CG 3.21Å; E154-R158 PolarHBondContact O-N 3.17Å; E154-R158 IonicContact OE1-CZ 3.53Å; E154-R158 IonicContact OE1-NE 2.9Å; E154-R158 PolarHBondContact OE1-NE 2.83Å; E154-R158 IonicContact OE1-NH2 3.61Å; E154-R158 PolarHBondContact OE1-NH2 3.4Å; V155-R158 PolarHBondContact O-N 3.38Å
159	A	34.7	Very low	35.3	Very low	30 Å²	30	106.2 Å²	106.2	25%	0.248	50%	0.497	C	S	.	.	H	α-helix	trans	-62.1	-44.5	177.3	0	0	0	0	0	111.6	E61 V155 F161 K162	E61-A159 WeakPolarHBondContact OE1-CB 3.19Å; V155-A159 WeakPolarHBondContact O-CB 3.41Å; V155-A159 PolarHBondContact O-N 3.16Å; A159-F161 PolarHBondContact O-N 3.12Å; A159-K162 PolarHBondContact O-N 3.26Å
160	N	33.5	Very low	34.9	Very low	72 Å²	72	108.8 Å²	108.8	39%	0.385	51%	0.513	S	S	.	.	H	α-helix	trans	-67	-31.6	-177	-113.7	-43.2	0	0	0	114.2	L156 K162	L156-N160 PolarHBondContact O-N 3.25Å; N160-K162 VanDerWaalsContact C-N 3.26Å; N160-K162 PolarHBondContact O-N 3.25Å
161	F	26.2	Very low	34.4	Very low	178 Å²	178	109.2 Å²	109.2	78%	0.781	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.5	-177.2	-96.9	-79.8	0	0	0	114.4	L157 A159	L157-F161 WeakPolarHBondContact O-CD2 3.4Å; L157-F161 PolarHBondContact O-N 2.88Å; A159-F161 PolarHBondContact O-N 3.12Å
162	K	32.4	Very low	34	Very low	187 Å²	187	109.9 Å²	109.9	81%	0.813	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-13.3	-167.3	-130.3	-179.2	-175.7	-178.4	0	115.7	A159 N160	A159-K162 PolarHBondContact O-N 3.26Å; N160-K162 VanDerWaalsContact C-N 3.26Å; N160-K162 PolarHBondContact O-N 3.25Å
163	R	32.9	Very low	33.7	Very low	139 Å²	139	113.8 Å²	113.8	53%	0.525	54%	0.539	S	S	.	.			trans	-125	102.4	-170.6	-73	-175.6	176.7	-179.2	-1.7	113.1	I165	R163-I165 PolarHBondContact O-N 3.4Å; R163-I165 VanDerWaalsContact O-N 3.12Å
164	H	27	Very low	33.3	Very low	168 Å²	168	119.6 Å²	119.6	78%	0.778	56%	0.564	S	S	*	*			trans	-64.2	97.4	164.9	-79.1	-67.7	0	0	0	110.3
165	I	27.3	Very low	32.9	Very low	95 Å²	95	120.5 Å²	120.5	49%	0.487	57%	0.57	S	S	.	*			trans	-84.1	122.4	173.7	-61.6	172.3	0	0	0	108.8	R163 F167	R163-I165 PolarHBondContact O-N 3.4Å; R163-I165 VanDerWaalsContact O-N 3.12Å; I165-F167 WeakPolarHBondContact O-CD2 3.17Å
166	T	28.6	Very low	32.7	Very low	135 Å²	135	122.5 Å²	122.5	83%	0.828	57%	0.568	S	S	*	*			trans	-85.1	135.9	178.8	34.2	0	0	0	0	112	E168	T166-E168 PolarHBondContact O-N 3.43Å
167	F	27.8	Very low	32.6	Very low	115 Å²	115	122.6 Å²	122.6	50%	0.504	57%	0.568	S	S	.	*			trans	-91.1	22.4	-155.7	-86	-93.8	0	0	0	117	Y96 I165 K169 V170	Y96-F167 HydrophobicContact CD1-CE1 4.02Å; Y96-F167 AromaticContact CD1-CZ 3.86Å; Y96-F167 HydrophobicContact CD1-CZ 3.86Å; I165-F167 WeakPolarHBondContact O-CD2 3.17Å; F167-K169 PolarHBondContact O-N 3.4Å; F167-V170 WeakPolarHBondContact O-CG2 3.46Å
168	E	28.1	Very low	32.5	Very low	192 Å²	192	124 Å²	124	90%	0.897	57%	0.574	S	S	*	*			trans	-80.3	-4.8	-160.9	-118.7	179.4	179.3	0	0	117.3	T166	T166-E168 PolarHBondContact O-N 3.43Å
169	K	34.4	Very low	32.4	Very low	95 Å²	95	119.9 Å²	119.9	41%	0.413	57%	0.565	S	S	.	*			trans	-122.8	78	-174	-61.3	-174.9	-171.7	179.8	0	113.2	L5 F167	L5-K169 HydrophobicContact CD2-CD 4.31Å; F167-K169 PolarHBondContact O-N 3.4Å
170	V	33.9	Very low	32.7	Very low	72 Å²	72	121.8 Å²	121.8	44%	0.436	57%	0.571	S	S	.	*			trans	-117.3	-18.6	-172	-175.8	0	0	0	0	117.9	F167 R172	F167-V170 WeakPolarHBondContact O-CG2 3.46Å; V170-R172 PolarHBondContact O-N 3.37Å
171	P	32.3	Very low	32.9	Very low	114 Å²	114	120.1 Å²	120.1	74%	0.74	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-31.5	-169.2	-20.4	31.5	0	0	0	116
172	R	33.7	Very low	33.1	Very low	164 Å²	164	112.8 Å²	112.8	62%	0.619	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-13.7	-173.9	-73.8	-174.7	178.8	-179.4	-1.4	115.2	V170 K174 I175	V170-R172 PolarHBondContact O-N 3.37Å; R172-K174 PolarHBondContact O-N 3.19Å; R172-I175 PolarHBondContact O-N 2.81Å
173	R	37.1	Very low	33.3	Very low	146 Å²	146	108.3 Å²	108.3	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-62.9	-25.3	179.7	-73.2	-178.4	172.3	-176.5	-5.5	113.5	M177	R173-M177 PolarHBondContact O-N 3.21Å
174	K	33.5	Very low	33.5	Very low	147 Å²	147	102.5 Å²	102.5	64%	0.639	50%	0.495	S	S	*	.	H	α-helix	trans	-67.4	-41.1	-178.9	-70.9	-174.7	175.9	-174.1	0	113.4	R172 W176 I178	R172-K174 PolarHBondContact O-N 3.19Å; K174-W176 VanDerWaalsContact C-N 3.34Å; K174-W176 PolarHBondContact O-N 3.47Å; K174-I178 WeakPolarHBondContact O-CG1 3.48Å; K174-I178 PolarHBondContact O-N 3.37Å
175	I	33.2	Very low	33.7	Very low	109 Å²	109	95.1 Å²	95.1	56%	0.559	46%	0.464	S	S	*	.	H	α-helix	trans	-66.5	-39.8	-175.8	-66	170.5	0	0	0	110.2	R172 I178 L179	R172-I175 PolarHBondContact O-N 2.81Å; I175-I178 PolarHBondContact O-N 3.02Å; I175-L179 HydrophobicContact CG2-CD1 4.26Å; I175-L179 WeakPolarHBondContact O-CG 3.41Å; I175-L179 PolarHBondContact O-N 3.13Å
176	W	37.7	Very low	34.1	Very low	133 Å²	133	98.3 Å²	98.3	50%	0.504	48%	0.477	S	S	.	.	H	α-helix	trans	-77.3	-31.3	-178.2	-72.3	119.8	0	0	0	114	E13 K174 I178 L179 L180	E13-W176 PolarHBondContact OE1-NE1 3.31Å; K174-W176 VanDerWaalsContact C-N 3.34Å; K174-W176 PolarHBondContact O-N 3.47Å; W176-I178 PolarHBondContact O-N 2.95Å; W176-L179 HydrophobicContact CD2-CD1 3.98Å; W176-L179 HydrophobicContact CE3-CB 3.94Å; W176-L179 HydrophobicContact CE3-CD1 3.3Å; W176-L179 HydrophobicContact CE3-CG 4.22Å; W176-L179 HydrophobicContact CH2-CD1 4.07Å; W176-L179 HydrophobicContact CZ3-CB 4.37Å; W176-L179 HydrophobicContact CZ3-CD1 3.35Å; W176-L179 HydrophobicContact CZ3-CG 4.47Å; W176-L179 PolarHBondContact O-N 3.36Å; W176-L179 VanDerWaalsContact O-N 3.13Å; W176-L180 WeakPolarHBondContact O-CB 3.26Å; W176-L180 PolarHBondContact O-N 3.35Å
177	M	36.1	Very low	34.4	Very low	45 Å²	45	95.1 Å²	95.1	22%	0.222	46%	0.457	C	S	.	.	H	α-helix	trans	-60.4	-39.2	172.7	-141.4	177.4	89.4	0	0	110.7	R173 I181 F198 F202	R173-M177 PolarHBondContact O-N 3.21Å; M177-I181 HydrophobicContact CE-CD1 4.15Å; M177-I181 HydrophobicContact CG-CD1 4.27Å; M177-I181 VanDerWaalsContact O-CB 3.3Å; M177-I181 WeakPolarHBondContact O-CB 3.22Å; M177-I181 WeakPolarHBondContact O-CD1 3.28Å; M177-I181 WeakPolarHBondContact O-CG1 3.49Å; M177-I181 PolarHBondContact O-N 3.4Å; M177-F198 HydrophobicContact CE-CD1 4.36Å; M177-F198 HydrophobicContact CE-CE1 3.86Å; M177-F202 HydrophobicContact CE-CZ 4.36Å
178	I	34.9	Very low	34.7	Very low	93 Å²	93	90.7 Å²	90.7	48%	0.477	44%	0.44	S	S	.	.	H	α-helix	trans	-63.9	-43.8	174.2	-63.6	166.7	0	0	0	110.6	K174 I175 W176 G182	K174-I178 WeakPolarHBondContact O-CG1 3.48Å; K174-I178 PolarHBondContact O-N 3.37Å; I175-I178 PolarHBondContact O-N 3.02Å; W176-I178 PolarHBondContact O-N 2.95Å; I178-G182 PolarHBondContact O-N 2.99Å
179	L	35.7	Very low	35.2	Very low	88 Å²	88	86 Å²	86	46%	0.461	43%	0.426	S	S	.	.	H	α-helix	trans	-67.1	-42.2	179.1	-69.5	170.4	0	0	0	112.8	I175 W176 G182 W183	I175-L179 HydrophobicContact CG2-CD1 4.26Å; I175-L179 WeakPolarHBondContact O-CG 3.41Å; I175-L179 PolarHBondContact O-N 3.13Å; W176-L179 HydrophobicContact CD2-CD1 3.98Å; W176-L179 HydrophobicContact CE3-CB 3.94Å; W176-L179 HydrophobicContact CE3-CD1 3.3Å; W176-L179 HydrophobicContact CE3-CG 4.22Å; W176-L179 HydrophobicContact CH2-CD1 4.07Å; W176-L179 HydrophobicContact CZ3-CB 4.37Å; W176-L179 HydrophobicContact CZ3-CD1 3.35Å; W176-L179 HydrophobicContact CZ3-CG 4.47Å; W176-L179 PolarHBondContact O-N 3.36Å; W176-L179 VanDerWaalsContact O-N 3.13Å; L179-G182 PolarHBondContact O-N 3.3Å; L179-W183 VanDerWaalsContact O-CB 3.26Å; L179-W183 WeakPolarHBondContact O-CB 3.48Å; L179-W183 PolarHBondContact O-N 3.41Å
180	L	39.9	Very low	35.5	Very low	71 Å²	71	87.5 Å²	87.5	37%	0.372	44%	0.435	S	S	.	.	H	α-helix	trans	-64.2	-46.3	176.9	-172.8	75.5	0	0	0	110.9	W176 W183 V184	W176-L180 WeakPolarHBondContact O-CB 3.26Å; W176-L180 PolarHBondContact O-N 3.35Å; L180-W183 PolarHBondContact O-N 3.14Å; L180-V184 WeakPolarHBondContact O-CB 3.37Å; L180-V184 VanDerWaalsContact O-CG2 3.25Å; L180-V184 WeakPolarHBondContact O-CG2 3.33Å; L180-V184 PolarHBondContact O-N 2.8Å
181	I	38.4	Very low	35.3	Very low	36 Å²	36	87.5 Å²	87.5	19%	0.185	43%	0.428	C	S	.	.	H	α-helix	trans	-64.8	-45	178.1	-69.8	167.8	0	0	0	110.7	M177 W183 V184 G185 F198	M177-I181 HydrophobicContact CE-CD1 4.15Å; M177-I181 HydrophobicContact CG-CD1 4.27Å; M177-I181 VanDerWaalsContact O-CB 3.3Å; M177-I181 WeakPolarHBondContact O-CB 3.22Å; M177-I181 WeakPolarHBondContact O-CD1 3.28Å; M177-I181 WeakPolarHBondContact O-CG1 3.49Å; M177-I181 PolarHBondContact O-N 3.4Å; I181-W183 VanDerWaalsContact C-N 3.3Å; I181-W183 PolarHBondContact O-N 2.87Å; I181-V184 PolarHBondContact O-N 3.34Å; I181-G185 PolarHBondContact O-N 2.7Å; I181-F198 HydrophobicContact CD1-CB 4.31Å; I181-F198 HydrophobicContact CD1-CD1 3.69Å; I181-F198 HydrophobicContact CD1-CD2 4.44Å; I181-F198 HydrophobicContact CD1-CE1 4.11Å; I181-F198 HydrophobicContact CD1-CG 3.89Å; I181-F198 HydrophobicContact CG2-CB 4.18Å
182	G	31	Very low	35.6	Very low	25 Å²	25	85.2 Å²	85.2	26%	0.258	41%	0.414	S	S	.	.	H	α-helix	trans	-59.3	-42	177	0	0	0	0	0	112	I178 L179 G185 Q186	I178-G182 PolarHBondContact O-N 2.99Å; L179-G182 PolarHBondContact O-N 3.3Å; G182-G185 PolarHBondContact O-N 3.24Å; G182-Q186 PolarHBondContact O-N 3.32Å
183	W	34.9	Very low	35.9	Very low	92 Å²	92	80.5 Å²	80.5	35%	0.348	41%	0.41	S	S	.	.	H	α-helix	trans	-72.5	-40.8	178.4	-174.4	76.4	0	0	0	113.3	V20 L24 L179 L180 I181 G185 Q186 V187	V20-W183 HydrophobicContact CG1-CH2 3.87Å; V20-W183 HydrophobicContact CG1-CZ3 3.62Å; L24-W183 HydrophobicContact CD1-CH2 3.09Å; L24-W183 HydrophobicContact CD1-CZ2 3.87Å; L24-W183 HydrophobicContact CD1-CZ3 3.78Å; L179-W183 VanDerWaalsContact O-CB 3.26Å; L179-W183 WeakPolarHBondContact O-CB 3.48Å; L179-W183 PolarHBondContact O-N 3.41Å; L180-W183 PolarHBondContact O-N 3.14Å; I181-W183 VanDerWaalsContact C-N 3.3Å; I181-W183 PolarHBondContact O-N 2.87Å; W183-G185 PolarHBondContact O-N 3.37Å; W183-Q186 WeakPolarHBondContact O-CB 3.44Å; W183-Q186 PolarHBondContact O-N 2.85Å; W183-V187 HydrophobicContact CD2-CG2 3.88Å; W183-V187 HydrophobicContact CE3-CG2 4.4Å; W183-V187 HydrophobicContact CG-CG2 4.32Å; W183-V187 HydrophobicContact CZ2-CG2 3.94Å; W183-V187 WeakPolarHBondContact O-CG2 3.28Å; W183-V187 PolarHBondContact O-N 2.85Å
184	V	37.3	Very low	35.7	Very low	18 Å²	18	76.8 Å²	76.8	11%	0.109	40%	0.403	C	S	.	.	H	α-helix	trans	-59	-38.2	172.6	169.6	0	0	0	0	111.1	W82 L180 I181 Q186 S188 Y191	W82-V184 HydrophobicContact CZ2-CG2 3.75Å; L180-V184 WeakPolarHBondContact O-CB 3.37Å; L180-V184 VanDerWaalsContact O-CG2 3.25Å; L180-V184 WeakPolarHBondContact O-CG2 3.33Å; L180-V184 PolarHBondContact O-N 2.8Å; I181-V184 PolarHBondContact O-N 3.34Å; V184-Q186 VanDerWaalsContact C-N 3.32Å; V184-Q186 PolarHBondContact O-N 3.3Å; V184-S188 PolarHBondContact O-N 2.92Å; V184-Y191 HydrophobicContact CG1-CD2 4.36Å
185	G	32.1	Very low	35.7	Very low	13 Å²	13	70.4 Å²	70.4	13%	0.134	38%	0.378	C	S	.	.	H	α-helix	trans	-62.4	-35.4	173	0	0	0	0	0	113.7	I181 G182 W183	I181-G185 PolarHBondContact O-N 2.7Å; G182-G185 PolarHBondContact O-N 3.24Å; W183-G185 PolarHBondContact O-N 3.37Å
186	Q	34.6	Very low	36	Very low	161 Å²	161	67.3 Å²	67.3	75%	0.752	37%	0.366	S	S	*	.	H	α-helix	trans	-74.3	-44.3	176.6	-76.6	-174.8	-12.2	0	0	112.9	G182 W183 V184	G182-Q186 PolarHBondContact O-N 3.32Å; W183-Q186 WeakPolarHBondContact O-CB 3.44Å; W183-Q186 PolarHBondContact O-N 2.85Å; V184-Q186 VanDerWaalsContact C-N 3.32Å; V184-Q186 PolarHBondContact O-N 3.3Å
187	V	35.2	Very low	35.9	Very low	69 Å²	69	63.2 Å²	63.2	42%	0.418	36%	0.36	S	S	.	.	H	α-helix	trans	-79.8	-25.9	-174.4	-178.5	0	0	0	0	112	L24 W183	L24-V187 HydrophobicContact CD2-CG1 4.49Å; W183-V187 HydrophobicContact CD2-CG2 3.88Å; W183-V187 HydrophobicContact CE3-CG2 4.4Å; W183-V187 HydrophobicContact CG-CG2 4.32Å; W183-V187 HydrophobicContact CZ2-CG2 3.94Å; W183-V187 WeakPolarHBondContact O-CG2 3.28Å; W183-V187 PolarHBondContact O-N 2.85Å
188	S	35	Very low	35.8	Very low	21 Å²	21	64.3 Å²	64.3	15%	0.147	36%	0.364	C	S	.	.			trans	-132.5	91.3	177.9	-79.1	0	0	0	0	110.6	V184 Q190 Y191	V184-S188 PolarHBondContact O-N 2.92Å; S188-Q190 PolarHBondContact O-N 2.8Å; S188-Y191 PolarHBondContact O-N 3.31Å
189	P	38.2	Very low	35.9	Very low	94 Å²	94	65.2 Å²	65.2	61%	0.61	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-55.6	-26.3	-176.2	-26.5	33.5	0	0	0	114.3	Y191 S192	P189-Y191 PolarHBondContact O-N 3Å; P189-S192 WeakPolarHBondContact O-CB 3.4Å; P189-S192 PolarHBondContact O-N 3.2Å; P189-S192 PolarHBondContact O-OG 3.17Å
190	Q	40.4	Very low	35.8	Very low	127 Å²	127	69.2 Å²	69.2	59%	0.593	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-59.9	-21.3	173.5	65.7	-160.4	25.2	0	0	114	S188	S188-Q190 PolarHBondContact O-N 2.8Å
191	Y	30.8	Very low	35.5	Very low	72 Å²	72	71.3 Å²	71.3	28%	0.282	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-101.8	8.4	174.2	-61.8	-67.6	0	0	0	113.3	V184 S188 P189 A193 V194 S195	V184-Y191 HydrophobicContact CG1-CD2 4.36Å; S188-Y191 PolarHBondContact O-N 3.31Å; P189-Y191 PolarHBondContact O-N 3Å; Y191-A193 PolarHBondContact O-N 3.21Å; Y191-V194 HydrophobicContact CD1-CG2 4.26Å; Y191-V194 WeakPolarHBondContact O-CA 3.48Å; Y191-V194 WeakPolarHBondContact O-CB 3.33Å; Y191-V194 PolarHBondContact O-N 3.43Å; Y191-S195 PolarHBondContact O-N 3.43Å; Y191-S195 VanDerWaalsContact O-N 3.07Å
192	S	37.9	Very low	35.4	Very low	66 Å²	66	73.9 Å²	73.9	46%	0.462	40%	0.396	S	S	.	.	H	α-helix	trans	-56.7	-31.6	175.7	60.5	0	0	0	0	112.7	P189 S195 S196	P189-S192 WeakPolarHBondContact O-CB 3.4Å; P189-S192 PolarHBondContact O-N 3.2Å; P189-S192 PolarHBondContact O-OG 3.17Å; S192-S195 PolarHBondContact O-N 2.79Å; S192-S196 WeakPolarHBondContact O-CB 3.3Å; S192-S196 PolarHBondContact O-N 3.12Å; S192-S196 PolarHBondContact O-OG 3.28Å
193	A	39.3	Very low	35.6	Very low	64 Å²	64	78.3 Å²	78.3	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-37.6	173.5	0	0	0	0	0	112.6	Y191 S196 A197	Y191-A193 PolarHBondContact O-N 3.21Å; A193-S196 WeakPolarHBondContact CA-OG 3.4Å; A193-S196 PolarHBondContact O-OG 2.94Å; A193-A197 VanDerWaalsContact O-CB 3.24Å; A193-A197 WeakPolarHBondContact O-CB 3.47Å; A193-A197 PolarHBondContact O-N 3.39Å
194	V	33	Very low	35.5	Very low	68 Å²	68	82.5 Å²	82.5	41%	0.412	43%	0.43	S	S	.	.	H	α-helix	trans	-68.9	-42.4	175.7	-178.5	0	0	0	0	109.9	Y191 F198	Y191-V194 HydrophobicContact CD1-CG2 4.26Å; Y191-V194 WeakPolarHBondContact O-CA 3.48Å; Y191-V194 WeakPolarHBondContact O-CB 3.33Å; Y191-V194 PolarHBondContact O-N 3.43Å; V194-F198 HydrophobicContact CG1-CD2 4.17Å; V194-F198 HydrophobicContact CG1-CE2 4.38Å; V194-F198 WeakPolarHBondContact O-CD2 3.03Å; V194-F198 PolarHBondContact O-N 3.24Å; V194-F198 VanDerWaalsContact O-N 3.15Å
195	S	34.6	Very low	35.5	Very low	14 Å²	14	89.3 Å²	89.3	10%	0.098	46%	0.46	C	S	.	.	H	α-helix	trans	-59.7	-48.1	175.5	-174.1	0	0	0	0	112.2	Y191 S192 F198 E199	Y191-S195 PolarHBondContact O-N 3.43Å; Y191-S195 VanDerWaalsContact O-N 3.07Å; S192-S195 PolarHBondContact O-N 2.79Å; S195-F198 PolarHBondContact O-N 3.26Å; S195-E199 PolarHBondContact O-N 3.37Å
196	S	39.1	Very low	35.6	Very low	44 Å²	44	96.3 Å²	96.3	31%	0.308	50%	0.495	S	S	.	.	H	α-helix	trans	-72.3	-32.9	-179.3	53.4	0	0	0	0	114.5	S192 A193 F198 R200	S192-S196 WeakPolarHBondContact O-CB 3.3Å; S192-S196 PolarHBondContact O-N 3.12Å; S192-S196 PolarHBondContact O-OG 3.28Å; A193-S196 WeakPolarHBondContact CA-OG 3.4Å; A193-S196 PolarHBondContact O-OG 2.94Å; S196-F198 VanDerWaalsContact C-N 3.35Å; S196-R200 WeakPolarHBondContact O-CG 3.31Å; S196-R200 PolarHBondContact O-N 2.94Å; S196-R200 VanDerWaalsContact O-N 3.12Å
197	A	35.8	Very low	35.5	Very low	47 Å²	47	96.3 Å²	96.3	39%	0.388	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-42.7	173.6	0	0	0	0	0	111	A193 R200 D201	A193-A197 VanDerWaalsContact O-CB 3.24Å; A193-A197 WeakPolarHBondContact O-CB 3.47Å; A193-A197 PolarHBondContact O-N 3.39Å; A197-R200 PolarHBondContact O-N 3Å; A197-D201 PolarHBondContact O-N 3.15Å; A197-D201 VanDerWaalsContact O-N 3.12Å
198	F	32.8	Very low	35.6	Very low	67 Å²	67	97.7 Å²	97.7	29%	0.294	52%	0.517	S	S	.	.	H	α-helix	trans	-67.7	-43.7	175.1	-92.5	-94.9	0	0	0	112.2	M177 I181 V194 S195 S196 R200 D201 F202	M177-F198 HydrophobicContact CE-CD1 4.36Å; M177-F198 HydrophobicContact CE-CE1 3.86Å; I181-F198 HydrophobicContact CD1-CB 4.31Å; I181-F198 HydrophobicContact CD1-CD1 3.69Å; I181-F198 HydrophobicContact CD1-CD2 4.44Å; I181-F198 HydrophobicContact CD1-CE1 4.11Å; I181-F198 HydrophobicContact CD1-CG 3.89Å; I181-F198 HydrophobicContact CG2-CB 4.18Å; V194-F198 HydrophobicContact CG1-CD2 4.17Å; V194-F198 HydrophobicContact CG1-CE2 4.38Å; V194-F198 WeakPolarHBondContact O-CD2 3.03Å; V194-F198 PolarHBondContact O-N 3.24Å; V194-F198 VanDerWaalsContact O-N 3.15Å; S195-F198 PolarHBondContact O-N 3.26Å; S196-F198 VanDerWaalsContact C-N 3.35Å; F198-R200 PolarHBondContact O-N 2.65Å; F198-D201 PolarHBondContact O-N 3.46Å; F198-F202 HydrophobicContact CD1-CD2 4.03Å; F198-F202 AromaticContact CD1-CE2 3.51Å; F198-F202 HydrophobicContact CD1-CE2 3.51Å; F198-F202 AromaticContact CE1-CE2 3.92Å; F198-F202 HydrophobicContact CE1-CE2 3.92Å; F198-F202 VanDerWaalsContact O-CD2 3.24Å; F198-F202 WeakPolarHBondContact O-CD2 3.41Å; F198-F202 PolarHBondContact O-N 3.22Å; F198-F202 VanDerWaalsContact O-N 3.11Å
199	E	37.2	Very low	35.6	Very low	112 Å²	112	101.7 Å²	101.7	52%	0.523	54%	0.537	S	S	.	.	H	α-helix	trans	-55.2	-41.4	174.6	-80.6	-177.7	165	0	0	112.1	S195 I203	S195-E199 PolarHBondContact O-N 3.37Å; E199-I203 WeakPolarHBondContact O-CB 3.05Å; E199-I203 WeakPolarHBondContact O-CD1 3.12Å; E199-I203 WeakPolarHBondContact O-CG1 3.5Å; E199-I203 PolarHBondContact O-N 3.49Å
200	R	34.2	Very low	35.4	Very low	173 Å²	173	102.2 Å²	102.2	65%	0.653	53%	0.533	S	S	*	.	H	α-helix	trans	-66.9	-48.6	178.4	-73.2	-175.6	-153.9	175.1	7.5	112.9	S196 A197 F198 F202 I203 Y204	S196-R200 WeakPolarHBondContact O-CG 3.31Å; S196-R200 PolarHBondContact O-N 2.94Å; S196-R200 VanDerWaalsContact O-N 3.12Å; A197-R200 PolarHBondContact O-N 3Å; F198-R200 PolarHBondContact O-N 2.65Å; R200-F202 PolarHBondContact O-N 2.84Å; R200-I203 PolarHBondContact O-N 3.46Å; R200-Y204 WeakPolarHBondContact O-CD2 3.39Å; R200-Y204 PolarHBondContact O-N 3.39Å
201	D	34.4	Very low	35.1	Very low	114 Å²	114	100.7 Å²	100.7	61%	0.61	53%	0.529	S	S	*	.	H	α-helix	trans	-65.8	-25.3	-177.2	-75.5	-15	0	0	0	112.3	A197 F198 H205	A197-D201 PolarHBondContact O-N 3.15Å; A197-D201 VanDerWaalsContact O-N 3.12Å; F198-D201 PolarHBondContact O-N 3.46Å; D201-H205 PolarHBondContact O-CD2 3.25Å
202	F	35.8	Very low	35.4	Very low	90 Å²	90	102.5 Å²	102.5	40%	0.395	55%	0.545	S	S	.	.	H	α-helix	trans	-88.2	-35.6	178.3	-80.8	-92.4	0	0	0	114	M177 F198 R200 Y204 H205	M177-F202 HydrophobicContact CE-CZ 4.36Å; F198-F202 HydrophobicContact CD1-CD2 4.03Å; F198-F202 AromaticContact CD1-CE2 3.51Å; F198-F202 HydrophobicContact CD1-CE2 3.51Å; F198-F202 AromaticContact CE1-CE2 3.92Å; F198-F202 HydrophobicContact CE1-CE2 3.92Å; F198-F202 VanDerWaalsContact O-CD2 3.24Å; F198-F202 WeakPolarHBondContact O-CD2 3.41Å; F198-F202 PolarHBondContact O-N 3.22Å; F198-F202 VanDerWaalsContact O-N 3.11Å; R200-F202 PolarHBondContact O-N 2.84Å; F202-Y204 VanDerWaalsContact C-N 3.25Å; F202-Y204 PolarHBondContact O-N 3.11Å; F202-H205 PolarHBondContact O-N 3.35Å
203	I	34.7	Very low	35.3	Very low	118 Å²	118	104.9 Å²	104.9	61%	0.605	55%	0.55	S	S	*	*	H	α-helix	trans	-65.3	-31.7	176.2	-67.3	165.6	0	0	0	111.1	E199 R200	E199-I203 WeakPolarHBondContact O-CB 3.05Å; E199-I203 WeakPolarHBondContact O-CD1 3.12Å; E199-I203 WeakPolarHBondContact O-CG1 3.5Å; E199-I203 PolarHBondContact O-N 3.49Å; R200-I203 PolarHBondContact O-N 3.46Å
204	Y	32.7	Very low	35	Very low	181 Å²	181	107.9 Å²	107.9	71%	0.71	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-4.4	-178	-83.3	-81.1	0	0	0	115.4	R200 F202	R200-Y204 WeakPolarHBondContact O-CD2 3.39Å; R200-Y204 PolarHBondContact O-N 3.39Å; F202-Y204 VanDerWaalsContact C-N 3.25Å; F202-Y204 PolarHBondContact O-N 3.11Å
205	H	37.5	Very low	35.1	Very low	160 Å²	160	110.9 Å²	110.9	74%	0.741	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	1.8	179.3	-84.7	-50.2	0	0	0	115.3	D201 F202	D201-H205 PolarHBondContact O-CD2 3.25Å; F202-H205 PolarHBondContact O-N 3.35Å
206	D	33.6	Very low	35.2	Very low	160 Å²	160	119 Å²	119	86%	0.856	60%	0.601	S	S	*	*			trans	-109.1	15	171.6	-86.5	-18.1	0	0	0	113.4
207	S	34.2	Very low	34.8	Very low	162 Å²	162	125.8 Å²	125.8	100%	1.133	63%	0.628	S	S	*	*			trans	-98.1	0	168.7	-51.4	0	0	0	0	111.5

Retrieved 207 of 207 residues in 91 ms (Link to these results)

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