A0A077Z6G6_TRITR Loading...

SNAPc SNAP43 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6G6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 339 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	30.7	Very low	31.9	Very low	198 Å²	198	96.4 Å²	96.4	98%	0.975	52%	0.517	S	S	*	.				0	131.1	0	-80.4	-176.9	-82.1	0	0	105.6	L31	M1-L31 HydrophobicContact CE-CD1 4.46Å; M1-L31 HydrophobicContact CE-CD2 4.07Å
2	E	31.4	Very low	31.7	Very low	142 Å²	142	91.4 Å²	91.4	66%	0.664	49%	0.488	S	S	*	.			trans	-75.6	145.1	-172.4	-60.4	169.2	-170.9	0	0	111.2	T4 L5	E2-T4 WeakPolarHBondContact CB-OG1 3.47Å; E2-T4 PolarHBondContact O-N 3.49Å; E2-T4 PolarHBondContact OE2-OG1 3.23Å; E2-L5 PolarHBondContact O-N 3.39Å
3	N	31.3	Very low	32	Very low	127 Å²	127	87.9 Å²	87.9	68%	0.679	47%	0.472	S	S	*	.	H	α-helix	trans	-64.1	-24.7	177.4	-68.2	-21.1	0	0	0	112	L6 N7	N3-L6 PolarHBondContact O-N 2.99Å; N3-N7 WeakPolarHBondContact O-CB 3.17Å; N3-N7 PolarHBondContact O-N 3.26Å
4	T	32.9	Very low	31.9	Very low	75 Å²	75	89.4 Å²	89.4	46%	0.46	49%	0.489	S	S	.	.	H	α-helix	trans	-53.5	-50.4	170.1	49.8	0	0	0	0	112	E2 L6 N7 N8	E2-T4 WeakPolarHBondContact CB-OG1 3.47Å; E2-T4 PolarHBondContact O-N 3.49Å; E2-T4 PolarHBondContact OE2-OG1 3.23Å; T4-L6 VanDerWaalsContact C-N 3.31Å; T4-L6 PolarHBondContact O-N 2.99Å; T4-N7 PolarHBondContact O-N 3.5Å; T4-N8 WeakPolarHBondContact O-CB 3.48Å; T4-N8 PolarHBondContact O-N 3.45Å; T4-N8 PolarHBondContact O-OD1 3.32Å
5	L	32.6	Very low	31.8	Very low	79 Å²	79	86.5 Å²	86.5	41%	0.414	48%	0.481	S	S	.	.	H	α-helix	trans	-66.6	-35.2	-178.4	-138.6	171.8	0	0	0	111.2	E2 L9	E2-L5 PolarHBondContact O-N 3.39Å; L5-L9 HydrophobicContact CD2-CD1 4.45Å; L5-L9 PolarHBondContact O-N 2.76Å
6	L	33.6	Very low	31.9	Very low	58 Å²	58	84.3 Å²	84.3	30%	0.304	47%	0.473	S	S	.	.	H	α-helix	trans	-71.4	-39.1	175	-147.4	83.2	0	0	0	112.2	N3 T4 V10 R28 L31	N3-L6 PolarHBondContact O-N 2.99Å; T4-L6 VanDerWaalsContact C-N 3.31Å; T4-L6 PolarHBondContact O-N 2.99Å; L6-V10 WeakPolarHBondContact O-CG2 3.45Å; L6-R28 HydrophobicContact CD2-CG 4.38Å; L6-L31 HydrophobicContact CD1-CD1 4.16Å
7	N	32.4	Very low	31.9	Very low	93 Å²	93	82.9 Å²	82.9	50%	0.497	48%	0.475	S	S	.	.	H	α-helix	trans	-70.6	-42.5	178	-75.3	-9.2	0	0	0	111.9	N3 T4 L9 V10 C11	N3-N7 WeakPolarHBondContact O-CB 3.17Å; N3-N7 PolarHBondContact O-N 3.26Å; T4-N7 PolarHBondContact O-N 3.5Å; N7-L9 PolarHBondContact O-N 3.21Å; N7-V10 WeakPolarHBondContact O-CB 3.32Å; N7-V10 PolarHBondContact O-N 3.12Å; N7-C11 PolarHBondContact O-N 2.93Å
8	N	32.9	Very low	32.1	Very low	84 Å²	84	79.1 Å²	79.1	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-60.2	-34.2	177.4	-70.1	-5.9	0	0	0	111.9	T4 V10 F12	T4-N8 WeakPolarHBondContact O-CB 3.48Å; T4-N8 PolarHBondContact O-N 3.45Å; T4-N8 PolarHBondContact O-OD1 3.32Å; N8-V10 PolarHBondContact O-N 3.33Å; N8-F12 WeakPolarHBondContact O-CD2 3.46Å; N8-F12 WeakPolarHBondContact O-CE2 3.49Å
9	L	31.2	Very low	32.5	Very low	69 Å²	69	78.8 Å²	78.8	36%	0.361	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.4	174	-106.6	158.1	0	0	0	114.2	L5 N7	L5-L9 HydrophobicContact CD2-CD1 4.45Å; L5-L9 PolarHBondContact O-N 2.76Å; N7-L9 PolarHBondContact O-N 3.21Å
10	V	30.9	Very low	32.8	Very low	35 Å²	35	76.7 Å²	76.7	21%	0.212	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-24.5	-172.2	176.3	0	0	0	0	112	L6 N7 N8 F12 T13 E24	L6-V10 WeakPolarHBondContact O-CG2 3.45Å; N7-V10 WeakPolarHBondContact O-CB 3.32Å; N7-V10 PolarHBondContact O-N 3.12Å; N8-V10 PolarHBondContact O-N 3.33Å; V10-F12 PolarHBondContact O-N 3.29Å; V10-T13 WeakPolarHBondContact O-CG2 3.09Å; V10-T13 PolarHBondContact O-OG1 3.03Å; V10-E24 HydrophobicContact CG2-CG 4.14Å
11	C	30.6	Very low	33.2	Very low	100 Å²	100	74.3 Å²	74.3	68%	0.676	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.5	177.3	-62.9	0	0	0	0	113.6	N7 T13	N7-C11 PolarHBondContact O-N 2.93Å; C11-T13 PolarHBondContact O-N 3.16Å; C11-T13 VanDerWaalsContact O-N 3.14Å
12	F	29.9	Very low	33.9	Very low	37 Å²	37	66.4 Å²	66.4	16%	0.162	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	13.9	-179.7	-75.5	-76.9	0	0	0	115.4	N8 V10 L87 A93 L97	N8-F12 WeakPolarHBondContact O-CD2 3.46Å; N8-F12 WeakPolarHBondContact O-CE2 3.49Å; V10-F12 PolarHBondContact O-N 3.29Å; F12-L87 HydrophobicContact CD1-CD2 4.46Å; F12-L87 HydrophobicContact CE1-CD2 3.64Å; F12-L87 HydrophobicContact CZ-CD2 4.43Å; F12-A93 HydrophobicContact CE2-CB 4.24Å; F12-A93 HydrophobicContact CZ-CB 3.62Å; F12-L97 HydrophobicContact CD1-CD1 3.66Å; F12-L97 HydrophobicContact CE1-CD1 3.27Å; F12-L97 HydrophobicContact CE1-CG 4.16Å; F12-L97 HydrophobicContact CE2-CD1 4.24Å; F12-L97 HydrophobicContact CE2-CG 4.32Å; F12-L97 HydrophobicContact CG-CD1 4.27Å; F12-L97 HydrophobicContact CZ-CD1 3.59Å; F12-L97 HydrophobicContact CZ-CG 3.97Å
13	T	35.5	Very low	34.6	Very low	46 Å²	46	63.6 Å²	63.6	28%	0.282	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.2	-166.1	38.8	0	0	0	0	117.8	V10 C11 A17 T21 E24	V10-T13 WeakPolarHBondContact O-CG2 3.09Å; V10-T13 PolarHBondContact O-OG1 3.03Å; C11-T13 PolarHBondContact O-N 3.16Å; C11-T13 VanDerWaalsContact O-N 3.14Å; T13-A17 WeakPolarHBondContact O-CA 3.36Å; T13-A17 WeakPolarHBondContact O-CB 3.48Å; T13-A17 PolarHBondContact O-N 3.21Å; T13-T21 HydrophobicContact CG2-CG2 3.77Å; T13-E24 WeakPolarHBondContact CG2-OE2 3.08Å
14	P	30.3	Very low	35.2	Very low	109 Å²	109	58.7 Å²	58.7	71%	0.708	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-48.5	174.9	-19.4	33	0	0	0	114.3	A17	P14-A17 WeakPolarHBondContact O-CB 3.45Å
15	A	31	Very low	36.1	Very low	45 Å²	45	62 Å²	62	37%	0.372	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-36.1	-175.7	0	0	0	0	0	112.4	Q83	A15-Q83 HydrophobicContact CB-CB 4.44Å; A15-Q83 HydrophobicContact CB-CG 4.04Å
16	C	33.7	Very low	37	Very low	52 Å²	52	59.7 Å²	59.7	35%	0.351	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	23.1	-177.2	-65.4	0	0	0	0	113.3	G18 I19 V20	C16-G18 CarbonylContact O-C 3.4Å; C16-G18 PolarHBondContact O-N 2.97Å; C16-I19 PolarHBondContact O-N 2.77Å; C16-I19 VanDerWaalsContact O-N 3.12Å; C16-V20 HydrophobicContact CB-CB 3.54Å; C16-V20 HydrophobicContact CB-CG2 3.38Å; C16-V20 PolarHBondContact O-N 3.47Å
17	A	32	Very low	37.8	Very low	61 Å²	61	59.5 Å²	59.5	50%	0.504	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-5.3	-162	0	0	0	0	0	119.9	T13 P14 T21	T13-A17 WeakPolarHBondContact O-CA 3.36Å; T13-A17 WeakPolarHBondContact O-CB 3.48Å; T13-A17 PolarHBondContact O-N 3.21Å; P14-A17 WeakPolarHBondContact O-CB 3.45Å; A17-T21 VanDerWaalsContact C-OG1 3.29Å; A17-T21 WeakPolarHBondContact O-CG2 3.34Å; A17-T21 PolarHBondContact O-OG1 3.41Å
18	G	34.7	Very low	38.7	Very low	14 Å²	14	59.5 Å²	59.5	14%	0.144	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-46	168.8	0	0	0	0	0	113.1	C16 T21 D22 M55	C16-G18 CarbonylContact O-C 3.4Å; C16-G18 PolarHBondContact O-N 2.97Å; G18-T21 WeakPolarHBondContact CA-OG1 3.29Å; G18-T21 PolarHBondContact O-N 3.46Å; G18-T21 PolarHBondContact O-OG1 3.35Å; G18-D22 WeakPolarHBondContact O-CB 3.07Å; G18-D22 VanDerWaalsContact O-CG 3.3Å; G18-D22 PolarHBondContact O-N 3.24Å; G18-M55 WeakPolarHBondContact CA-SD 3.07Å
19	I	39.2	Very low	39.6	Very low	74 Å²	74	61 Å²	61	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-44.7	-175.3	-56.7	178.1	0	0	0	110.3	C16 I23 M55 L63	C16-I19 PolarHBondContact O-N 2.77Å; C16-I19 VanDerWaalsContact O-N 3.12Å; I19-I23 HydrophobicContact CG2-CD1 4.17Å; I19-I23 WeakPolarHBondContact O-CD1 3.5Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.32Å; I19-I23 PolarHBondContact O-N 3.42Å; I19-M55 HydrophobicContact CB-SD 4.49Å; I19-M55 HydrophobicContact CG1-CE 4.07Å; I19-M55 HydrophobicContact CG1-SD 3.67Å; I19-M55 PolarHBondContact N-SD 3.04Å; I19-L63 HydrophobicContact CD1-CD1 4.16Å
20	V	38.2	Very low	40.4	Very low	35 Å²	35	60.7 Å²	60.7	21%	0.212	33%	0.331	C	S	.	.	H	α-helix	trans	-77.4	-39.7	175.3	167.8	0	0	0	0	111	C16 D22 I23 E24	C16-V20 HydrophobicContact CB-CB 3.54Å; C16-V20 HydrophobicContact CB-CG2 3.38Å; C16-V20 PolarHBondContact O-N 3.47Å; V20-D22 PolarHBondContact O-N 3.33Å; V20-I23 PolarHBondContact O-N 2.68Å; V20-E24 HydrophobicContact CG1-CB 4.4Å; V20-E24 WeakPolarHBondContact O-CA 3.44Å; V20-E24 WeakPolarHBondContact O-CB 3.23Å; V20-E24 PolarHBondContact O-N 2.67Å
21	T	41.4	Very low	41	Very low	28 Å²	28	63.2 Å²	63.2	17%	0.172	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-30.4	179.9	54	0	0	0	0	112.9	T13 A17 G18 R25	T13-T21 HydrophobicContact CG2-CG2 3.77Å; A17-T21 VanDerWaalsContact C-OG1 3.29Å; A17-T21 WeakPolarHBondContact O-CG2 3.34Å; A17-T21 PolarHBondContact O-OG1 3.41Å; G18-T21 WeakPolarHBondContact CA-OG1 3.29Å; G18-T21 PolarHBondContact O-N 3.46Å; G18-T21 PolarHBondContact O-OG1 3.35Å; T21-R25 WeakPolarHBondContact O-CB 3.02Å; T21-R25 WeakPolarHBondContact O-CD 3.32Å; T21-R25 WeakPolarHBondContact O-CG 3.49Å; T21-R25 PolarHBondContact O-N 2.95Å
22	D	46.3	Very low	41.8	Very low	31 Å²	31	62.9 Å²	62.9	17%	0.166	34%	0.341	C	S	.	.	H	α-helix	trans	-79.8	-38	174.5	-69	-34.6	0	0	0	113.5	G18 V20 R25 F26 S51	G18-D22 WeakPolarHBondContact O-CB 3.07Å; G18-D22 VanDerWaalsContact O-CG 3.3Å; G18-D22 PolarHBondContact O-N 3.24Å; V20-D22 PolarHBondContact O-N 3.33Å; D22-R25 IonicContact OD1-NH1 2.76Å; D22-F26 VanDerWaalsContact O-CB 3.24Å; D22-F26 WeakPolarHBondContact O-CB 3.49Å; D22-F26 PolarHBondContact O-N 3.47Å; D22-S51 WeakPolarHBondContact CB-OG 3.33Å; D22-S51 WeakPolarHBondContact OD2-CB 3.47Å; D22-S51 PolarHBondContact OD2-OG 2.93Å
23	I	46.9	Very low	42.6	Very low	83 Å²	83	62 Å²	62	43%	0.426	34%	0.34	S	S	.	.	H	α-helix	trans	-69.9	-41.1	174.6	-67.4	170	0	0	0	110.6	I19 V20 F26 V27	I19-I23 HydrophobicContact CG2-CD1 4.17Å; I19-I23 WeakPolarHBondContact O-CD1 3.5Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.32Å; I19-I23 PolarHBondContact O-N 3.42Å; V20-I23 PolarHBondContact O-N 2.68Å; I23-F26 WeakPolarHBondContact O-CB 3.27Å; I23-F26 PolarHBondContact O-N 3.24Å; I23-V27 HydrophobicContact CG2-CG2 4.42Å; I23-V27 WeakPolarHBondContact O-CB 3.43Å; I23-V27 WeakPolarHBondContact O-CG2 3.49Å; I23-V27 PolarHBondContact O-N 3.28Å
24	E	43.2	Very low	42.7	Very low	25 Å²	25	72.3 Å²	72.3	12%	0.117	37%	0.374	C	S	.	.	H	α-helix	trans	-63	-45	173.8	-174	-135.2	121	0	0	110.5	V10 T13 V20 V27 R28	V10-E24 HydrophobicContact CG2-CG 4.14Å; T13-E24 WeakPolarHBondContact CG2-OE2 3.08Å; V20-E24 HydrophobicContact CG1-CB 4.4Å; V20-E24 WeakPolarHBondContact O-CA 3.44Å; V20-E24 WeakPolarHBondContact O-CB 3.23Å; V20-E24 PolarHBondContact O-N 2.67Å; E24-V27 PolarHBondContact O-N 2.96Å; E24-R28 WeakPolarHBondContact O-CB 3.46Å; E24-R28 WeakPolarHBondContact O-CG 3.32Å; E24-R28 PolarHBondContact O-N 2.92Å; E24-R28 VanDerWaalsContact OE1-CD 3.27Å; E24-R28 WeakPolarHBondContact OE1-CD 3.46Å; E24-R28 IonicContact OE1-CZ 2.85Å; E24-R28 IonicContact OE1-NE 3.16Å; E24-R28 IonicContact OE1-NH1 2.71Å; E24-R28 PolarHBondContact OE1-NH1 2.93Å
25	R	52.3	Low	43.2	Very low	143 Å²	143	74 Å²	74	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-42.3	170.7	-83	170.3	175.3	163.1	-0.1	112.7	T21 D22 R29	T21-R25 WeakPolarHBondContact O-CB 3.02Å; T21-R25 WeakPolarHBondContact O-CD 3.32Å; T21-R25 WeakPolarHBondContact O-CG 3.49Å; T21-R25 PolarHBondContact O-N 2.95Å; D22-R25 IonicContact OD1-NH1 2.76Å; R25-R29 WeakPolarHBondContact O-CB 3.1Å; R25-R29 VanDerWaalsContact O-CG 3.25Å; R25-R29 WeakPolarHBondContact O-CG 3.17Å; R25-R29 PolarHBondContact O-N 3.31Å
26	F	51.5	Low	43.7	Very low	31 Å²	31	75.6 Å²	75.6	14%	0.136	38%	0.379	C	S	.	.	H	α-helix	trans	-61.3	-52.2	177.4	174	-92.3	0	0	0	110.6	D22 I23 R29 F30 F41 L44 F45 M48	D22-F26 VanDerWaalsContact O-CB 3.24Å; D22-F26 WeakPolarHBondContact O-CB 3.49Å; D22-F26 PolarHBondContact O-N 3.47Å; I23-F26 WeakPolarHBondContact O-CB 3.27Å; I23-F26 PolarHBondContact O-N 3.24Å; F26-R29 PolarHBondContact O-N 2.97Å; F26-F30 WeakPolarHBondContact O-CB 3.48Å; F26-F30 PolarHBondContact O-N 3.38Å; F26-F41 HydrophobicContact CE2-CE2 4.47Å; F26-F41 HydrophobicContact CZ-CD2 4.08Å; F26-F41 AromaticContact CZ-CE2 3.74Å; F26-F41 HydrophobicContact CZ-CE2 3.74Å; F26-L44 HydrophobicContact CD2-CB 3.73Å; F26-L44 HydrophobicContact CE2-CB 3.89Å; F26-F45 HydrophobicContact CE2-CB 4.1Å; F26-F45 HydrophobicContact CE2-CD2 4.39Å; F26-M48 HydrophobicContact CB-CB 4.47Å; F26-M48 HydrophobicContact CB-CG 4.46Å; F26-M48 HydrophobicContact CB-SD 4.05Å; F26-M48 HydrophobicContact CD1-SD 4.01Å; F26-M48 HydrophobicContact CD2-CB 4.05Å; F26-M48 HydrophobicContact CD2-SD 3.89Å; F26-M48 HydrophobicContact CE1-SD 4.47Å; F26-M48 HydrophobicContact CE2-SD 4.38Å; F26-M48 HydrophobicContact CG-CB 4.48Å; F26-M48 HydrophobicContact CG-SD 3.7Å
27	V	49.7	Very low	44.1	Very low	54 Å²	54	77.6 Å²	77.6	33%	0.327	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-47.4	178.3	171.2	0	0	0	0	111.2	I23 E24 F30 L31	I23-V27 HydrophobicContact CG2-CG2 4.42Å; I23-V27 WeakPolarHBondContact O-CB 3.43Å; I23-V27 WeakPolarHBondContact O-CG2 3.49Å; I23-V27 PolarHBondContact O-N 3.28Å; E24-V27 PolarHBondContact O-N 2.96Å; V27-F30 PolarHBondContact O-N 3.49Å; V27-L31 HydrophobicContact CG1-CD1 3.67Å; V27-L31 HydrophobicContact CG1-CG 4.25Å; V27-L31 WeakPolarHBondContact O-CB 3.5Å; V27-L31 VanDerWaalsContact O-CG 3.29Å; V27-L31 WeakPolarHBondContact O-CG 3.28Å; V27-L31 PolarHBondContact O-N 3.49Å
28	R	51.7	Low	44.5	Very low	93 Å²	93	77.7 Å²	77.7	35%	0.351	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-48.1	177	-80.6	177.7	147.2	-179.1	-15.8	112.1	L6 E24 F30 L31 S32	L6-R28 HydrophobicContact CD2-CG 4.38Å; E24-R28 WeakPolarHBondContact O-CB 3.46Å; E24-R28 WeakPolarHBondContact O-CG 3.32Å; E24-R28 PolarHBondContact O-N 2.92Å; E24-R28 VanDerWaalsContact OE1-CD 3.27Å; E24-R28 WeakPolarHBondContact OE1-CD 3.46Å; E24-R28 IonicContact OE1-CZ 2.85Å; E24-R28 IonicContact OE1-NE 3.16Å; E24-R28 IonicContact OE1-NH1 2.71Å; E24-R28 PolarHBondContact OE1-NH1 2.93Å; R28-F30 VanDerWaalsContact C-N 3.33Å; R28-F30 PolarHBondContact O-N 3.26Å; R28-L31 PolarHBondContact O-N 3.11Å; R28-S32 WeakPolarHBondContact O-CB 3.34Å; R28-S32 PolarHBondContact O-N 3.37Å; R28-S32 PolarHBondContact O-OG 2.97Å
29	R	52.4	Low	45.2	Very low	116 Å²	116	83.7 Å²	83.7	44%	0.438	40%	0.396	S	S	.	.	H	α-helix	trans	-68.4	-30.8	178.8	-72.3	178.9	167.3	-166.5	-5.1	113	R25 F26 S32 S33 L44 E47	R25-R29 WeakPolarHBondContact O-CB 3.1Å; R25-R29 VanDerWaalsContact O-CG 3.25Å; R25-R29 WeakPolarHBondContact O-CG 3.17Å; R25-R29 PolarHBondContact O-N 3.31Å; F26-R29 PolarHBondContact O-N 2.97Å; R29-S32 WeakPolarHBondContact CA-OG 3.32Å; R29-S32 PolarHBondContact O-OG 3.2Å; R29-S33 PolarHBondContact O-N 3.36Å; R29-L44 HydrophobicContact CB-CD1 3.67Å; R29-L44 HydrophobicContact CB-CD2 3.51Å; R29-L44 HydrophobicContact CB-CG 4.25Å; R29-L44 VanDerWaalsContact CD-CD2 3.45Å; R29-L44 HydrophobicContact CG-CD2 4.13Å; R29-E47 IonicContact CZ-OE1 3.48Å; R29-E47 IonicContact CZ-OE2 2.65Å; R29-E47 IonicContact NH1-OE1 3.25Å; R29-E47 PolarHBondContact NH1-OE1 3.05Å; R29-E47 IonicContact NH1-OE2 3.96Å; R29-E47 PolarHBondContact NH1-OE2 3.03Å
30	F	47.3	Very low	45.6	Very low	63 Å²	63	82.5 Å²	82.5	28%	0.276	39%	0.392	S	S	.	.	H	α-helix	trans	-71.9	-48.3	175.4	-177.1	-107.2	0	0	0	110.9	F26 V27 R28 S32 S33 P36 F41 L44	F26-F30 WeakPolarHBondContact O-CB 3.48Å; F26-F30 PolarHBondContact O-N 3.38Å; V27-F30 PolarHBondContact O-N 3.49Å; R28-F30 VanDerWaalsContact C-N 3.33Å; R28-F30 PolarHBondContact O-N 3.26Å; F30-S32 PolarHBondContact O-N 2.95Å; F30-S33 PolarHBondContact O-N 3.42Å; F30-S33 VanDerWaalsContact O-N 3.15Å; F30-S33 PolarHBondContact O-OG 2.72Å; F30-P36 HydrophobicContact CD2-CB 4.11Å; F30-P36 HydrophobicContact CE1-CB 4.4Å; F30-P36 HydrophobicContact CE2-CB 3.53Å; F30-P36 HydrophobicContact CZ-CB 3.71Å; F30-F41 HydrophobicContact CD2-CD2 4.06Å; F30-F41 HydrophobicContact CE2-CB 4.24Å; F30-F41 AromaticContact CE2-CD2 3.7Å; F30-F41 HydrophobicContact CE2-CD2 3.7Å; F30-F41 HydrophobicContact CE2-CG 4.44Å; F30-F41 HydrophobicContact CZ-CD2 4.44Å; F30-L44 HydrophobicContact CB-CD1 4.01Å
31	L	43.3	Very low	46	Very low	87 Å²	87	83.7 Å²	83.7	46%	0.455	40%	0.395	S	S	.	.	H	α-helix	trans	-68.3	-31.6	176.4	-66.7	176.4	0	0	0	113	M1 L6 V27 R28 S33	M1-L31 HydrophobicContact CE-CD1 4.46Å; M1-L31 HydrophobicContact CE-CD2 4.07Å; L6-L31 HydrophobicContact CD1-CD1 4.16Å; V27-L31 HydrophobicContact CG1-CD1 3.67Å; V27-L31 HydrophobicContact CG1-CG 4.25Å; V27-L31 WeakPolarHBondContact O-CB 3.5Å; V27-L31 VanDerWaalsContact O-CG 3.29Å; V27-L31 WeakPolarHBondContact O-CG 3.28Å; V27-L31 PolarHBondContact O-N 3.49Å; R28-L31 PolarHBondContact O-N 3.11Å; L31-S33 PolarHBondContact O-N 2.92Å
32	S	46.9	Very low	46.4	Very low	93 Å²	93	86.5 Å²	86.5	65%	0.65	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-6.1	173.5	77.5	0	0	0	0	113.5	R28 R29 F30 W34	R28-S32 WeakPolarHBondContact O-CB 3.34Å; R28-S32 PolarHBondContact O-N 3.37Å; R28-S32 PolarHBondContact O-OG 2.97Å; R29-S32 WeakPolarHBondContact CA-OG 3.32Å; R29-S32 PolarHBondContact O-OG 3.2Å; F30-S32 PolarHBondContact O-N 2.95Å; S32-W34 PolarHBondContact O-N 2.95Å
33	S	48	Very low	47	Very low	20 Å²	20	89.9 Å²	89.9	14%	0.14	42%	0.42	C	S	.	.	S	Bend	trans	-84	100.1	174.4	68.6	0	0	0	0	109.5	R29 F30 L31 Q35 P36	R29-S33 PolarHBondContact O-N 3.36Å; F30-S33 PolarHBondContact O-N 3.42Å; F30-S33 VanDerWaalsContact O-N 3.15Å; F30-S33 PolarHBondContact O-OG 2.72Å; L31-S33 PolarHBondContact O-N 2.92Å; S33-Q35 CarbonylContact O-C 3.12Å; S33-Q35 WeakPolarHBondContact O-CA 3.24Å; S33-Q35 PolarHBondContact O-N 2.92Å; S33-P36 WeakPolarHBondContact OG-CA 3.39Å
34	W	36.2	Very low	47.2	Very low	261 Å²	261	86.5 Å²	86.5	99%	0.989	40%	0.402	S	S	*	.	S	Bend	trans	-55.9	-19.8	-171.1	-154.4	22.4	0	0	0	114.2	S32	S32-W34 PolarHBondContact O-N 2.95Å
35	Q	41.3	Very low	47.5	Very low	144 Å²	144	87.4 Å²	87.4	67%	0.673	41%	0.406	S	S	*	.	S	Bend	trans	-127.5	123.8	147.9	-67.2	-178.8	-12.3	0	0	108.3	S33 N37	S33-Q35 CarbonylContact O-C 3.12Å; S33-Q35 WeakPolarHBondContact O-CA 3.24Å; S33-Q35 PolarHBondContact O-N 2.92Å; Q35-N37 PolarHBondContact O-N 3.08Å
36	P	41.9	Very low	47.6	Very low	79 Å²	79	86.5 Å²	86.5	51%	0.513	41%	0.406	S	S	.	.			trans	-74.6	64.7	176.7	30.2	-34.8	0	0	0	111.5	F30 S33	F30-P36 HydrophobicContact CD2-CB 4.11Å; F30-P36 HydrophobicContact CE1-CB 4.4Å; F30-P36 HydrophobicContact CE2-CB 3.53Å; F30-P36 HydrophobicContact CZ-CB 3.71Å; S33-P36 WeakPolarHBondContact OG-CA 3.39Å
37	N	42.6	Very low	47.7	Very low	95 Å²	95	89.7 Å²	89.7	51%	0.508	42%	0.421	S	S	.	.			trans	-76.4	144.9	-171.9	-157	-44.8	0	0	0	110.8	Q35 K39 V40 F41	Q35-N37 PolarHBondContact O-N 3.08Å; N37-K39 PolarHBondContact O-N 3.02Å; N37-V40 WeakPolarHBondContact O-CB 3.15Å; N37-V40 PolarHBondContact O-N 3.06Å; N37-F41 PolarHBondContact O-N 3.08Å
38	Y	38.9	Very low	47.7	Very low	63 Å²	63	88.1 Å²	88.1	25%	0.247	41%	0.41	C	S	.	.	H	α-helix	trans	-49.8	-37.7	-168	175.2	-122.5	0	0	0	114.5	V40 F41 K42 L132 P133 Y137	Y38-V40 PolarHBondContact O-N 3.1Å; Y38-F41 PolarHBondContact O-N 3.19Å; Y38-K42 HydrophobicContact CE1-CD 3.87Å; Y38-K42 HydrophobicContact CE2-CB 4.46Å; Y38-K42 HydrophobicContact CE2-CD 4.34Å; Y38-K42 VanDerWaalsContact O-CB 3.26Å; Y38-K42 WeakPolarHBondContact O-CB 3.23Å; Y38-K42 PolarHBondContact O-N 3.09Å; Y38-K42 WeakPolarHBondContact OH-CE 3.18Å; Y38-K42 PolarHBondContact OH-NZ 2.99Å; Y38-L132 PolarHBondContact OH-O 3.1Å; Y38-P133 HydrophobicContact CE1-CB 3.88Å; Y38-Y137 HydrophobicContact CD2-CD1 4.5Å; Y38-Y137 HydrophobicContact CD2-CE1 4.33Å; Y38-Y137 HydrophobicContact CE2-CD1 4.21Å; Y38-Y137 HydrophobicContact CE2-CD2 4.16Å; Y38-Y137 AromaticContact CE2-CE1 3.68Å; Y38-Y137 HydrophobicContact CE2-CE1 3.68Å; Y38-Y137 AromaticContact CE2-CE2 3.61Å; Y38-Y137 HydrophobicContact CE2-CE2 3.61Å; Y38-Y137 HydrophobicContact CE2-CG 4.43Å; Y38-Y137 AromaticContact CE2-CZ 3.34Å; Y38-Y137 AromaticContact CZ-CE2 3.82Å; Y38-Y137 AromaticContact CZ-CZ 3.85Å; Y38-Y137 PolarHBondContact OH-OH 3.26Å; Y38-Y137 VanDerWaalsContact OH-OH 3.12Å
39	K	49.8	Very low	47.4	Very low	139 Å²	139	87.7 Å²	87.7	60%	0.604	41%	0.412	S	S	*	.	H	α-helix	trans	-59.3	-44.2	176.8	-174.7	-174.2	170.3	-166.8	0	112.2	N37 K42 E43	N37-K39 PolarHBondContact O-N 3.02Å; K39-K42 PolarHBondContact O-N 2.83Å; K39-E43 WeakPolarHBondContact CE-OE1 3.48Å; K39-E43 IonicContact NZ-OE1 3.6Å; K39-E43 WeakPolarHBondContact O-CG 3.38Å; K39-E43 PolarHBondContact O-N 2.94Å
40	V	49.1	Very low	46.6	Very low	49 Å²	49	87.4 Å²	87.4	30%	0.297	42%	0.417	S	S	.	.	H	α-helix	trans	-65.3	-51.6	179.3	-174.9	0	0	0	0	109.4	N37 Y38 K42 E43 L44	N37-V40 WeakPolarHBondContact O-CB 3.15Å; N37-V40 PolarHBondContact O-N 3.06Å; Y38-V40 PolarHBondContact O-N 3.1Å; V40-K42 VanDerWaalsContact C-N 3.27Å; V40-K42 PolarHBondContact O-N 3.31Å; V40-E43 PolarHBondContact O-N 3.18Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 HydrophobicContact CG1-CG 4.14Å; V40-L44 VanDerWaalsContact O-CG 3.31Å; V40-L44 WeakPolarHBondContact O-CG 3.44Å; V40-L44 PolarHBondContact O-N 3.49Å
41	F	45.2	Very low	46.2	Very low	60 Å²	60	85.5 Å²	85.5	26%	0.263	41%	0.412	S	S	.	.	H	α-helix	trans	-53.8	-43.6	174.7	178.9	-89	0	0	0	112	F26 F30 N37 Y38 E43 L44 F45	F26-F41 HydrophobicContact CE2-CE2 4.47Å; F26-F41 HydrophobicContact CZ-CD2 4.08Å; F26-F41 AromaticContact CZ-CE2 3.74Å; F26-F41 HydrophobicContact CZ-CE2 3.74Å; F30-F41 HydrophobicContact CD2-CD2 4.06Å; F30-F41 HydrophobicContact CE2-CB 4.24Å; F30-F41 AromaticContact CE2-CD2 3.7Å; F30-F41 HydrophobicContact CE2-CD2 3.7Å; F30-F41 HydrophobicContact CE2-CG 4.44Å; F30-F41 HydrophobicContact CZ-CD2 4.44Å; N37-F41 PolarHBondContact O-N 3.08Å; Y38-F41 PolarHBondContact O-N 3.19Å; F41-E43 VanDerWaalsContact C-N 3.33Å; F41-E43 PolarHBondContact O-N 2.87Å; F41-L44 PolarHBondContact O-N 3.46Å; F41-F45 HydrophobicContact CD1-CB 4.42Å; F41-F45 HydrophobicContact CE1-CB 4.17Å; F41-F45 HydrophobicContact CE1-CD2 4.4Å; F41-F45 HydrophobicContact CE1-CG 4.26Å; F41-F45 HydrophobicContact CZ-CB 4.49Å; F41-F45 HydrophobicContact CZ-CD2 4.13Å; F41-F45 HydrophobicContact CZ-CG 4.44Å; F41-F45 WeakPolarHBondContact O-CB 3.27Å; F41-F45 PolarHBondContact O-N 3.38Å
42	K	51.1	Low	46.2	Very low	87 Å²	87	85.3 Å²	85.3	38%	0.378	41%	0.414	S	S	.	.	H	α-helix	trans	-70.2	-25.4	-179.7	-165.1	171.8	-161.1	159.5	0	113.7	Y38 K39 V40 K46	Y38-K42 HydrophobicContact CE1-CD 3.87Å; Y38-K42 HydrophobicContact CE2-CB 4.46Å; Y38-K42 HydrophobicContact CE2-CD 4.34Å; Y38-K42 VanDerWaalsContact O-CB 3.26Å; Y38-K42 WeakPolarHBondContact O-CB 3.23Å; Y38-K42 PolarHBondContact O-N 3.09Å; Y38-K42 WeakPolarHBondContact OH-CE 3.18Å; Y38-K42 PolarHBondContact OH-NZ 2.99Å; K39-K42 PolarHBondContact O-N 2.83Å; V40-K42 VanDerWaalsContact C-N 3.27Å; V40-K42 PolarHBondContact O-N 3.31Å; K42-K46 WeakPolarHBondContact O-CB 3.32Å; K42-K46 WeakPolarHBondContact O-CD 3.23Å; K42-K46 WeakPolarHBondContact O-CG 3.34Å; K42-K46 PolarHBondContact O-N 2.86Å
43	E	57	Low	45.5	Very low	103 Å²	103	85.2 Å²	85.2	48%	0.481	41%	0.406	S	S	.	.	H	α-helix	trans	-79.9	-47.9	173	-74.8	169.4	-174.2	0	0	110.3	K39 V40 F41 F45 K46 E47	K39-E43 WeakPolarHBondContact CE-OE1 3.48Å; K39-E43 IonicContact NZ-OE1 3.6Å; K39-E43 WeakPolarHBondContact O-CG 3.38Å; K39-E43 PolarHBondContact O-N 2.94Å; V40-E43 PolarHBondContact O-N 3.18Å; F41-E43 VanDerWaalsContact C-N 3.33Å; F41-E43 PolarHBondContact O-N 2.87Å; E43-F45 PolarHBondContact O-N 3.25Å; E43-K46 WeakPolarHBondContact O-CB 3.14Å; E43-K46 PolarHBondContact O-N 3.45Å; E43-E47 PolarHBondContact O-N 3.05Å
44	L	51.7	Low	44.6	Very low	11 Å²	11	91 Å²	91	6%	0.058	43%	0.428	C	S	.	.	H	α-helix	trans	-62.8	-42.3	176.1	-61.5	-179.2	0	0	0	113.1	F26 R29 F30 V40 F41 K46 E47 M48	F26-L44 HydrophobicContact CD2-CB 3.73Å; F26-L44 HydrophobicContact CE2-CB 3.89Å; R29-L44 HydrophobicContact CB-CD1 3.67Å; R29-L44 HydrophobicContact CB-CD2 3.51Å; R29-L44 HydrophobicContact CB-CG 4.25Å; R29-L44 VanDerWaalsContact CD-CD2 3.45Å; R29-L44 HydrophobicContact CG-CD2 4.13Å; F30-L44 HydrophobicContact CB-CD1 4.01Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 HydrophobicContact CG1-CG 4.14Å; V40-L44 VanDerWaalsContact O-CG 3.31Å; V40-L44 WeakPolarHBondContact O-CG 3.44Å; V40-L44 PolarHBondContact O-N 3.49Å; F41-L44 PolarHBondContact O-N 3.46Å; L44-K46 VanDerWaalsContact C-N 3.27Å; L44-K46 PolarHBondContact O-N 3.21Å; L44-E47 WeakPolarHBondContact CD2-OE2 3.35Å; L44-E47 WeakPolarHBondContact O-CB 3.36Å; L44-E47 PolarHBondContact O-N 3.45Å; L44-M48 WeakPolarHBondContact O-CB 3.25Å; L44-M48 PolarHBondContact O-N 3.36Å
45	F	50.7	Low	44.6	Very low	45 Å²	45	81.1 Å²	81.1	20%	0.197	39%	0.394	C	S	.	.	H	α-helix	trans	-67.8	-29.7	178	-172.2	-101	0	0	0	111.4	F26 F41 E43 M48 Q49	F26-F45 HydrophobicContact CE2-CB 4.1Å; F26-F45 HydrophobicContact CE2-CD2 4.39Å; F41-F45 HydrophobicContact CD1-CB 4.42Å; F41-F45 HydrophobicContact CE1-CB 4.17Å; F41-F45 HydrophobicContact CE1-CD2 4.4Å; F41-F45 HydrophobicContact CE1-CG 4.26Å; F41-F45 HydrophobicContact CZ-CB 4.49Å; F41-F45 HydrophobicContact CZ-CD2 4.13Å; F41-F45 HydrophobicContact CZ-CG 4.44Å; F41-F45 WeakPolarHBondContact O-CB 3.27Å; F41-F45 PolarHBondContact O-N 3.38Å; E43-F45 PolarHBondContact O-N 3.25Å; F45-M48 HydrophobicContact CD2-CE 3.6Å; F45-M48 HydrophobicContact CE2-CE 3.69Å; F45-Q49 HydrophobicContact CD1-CG 4.1Å; F45-Q49 VanDerWaalsContact CE1-CD 3.4Å; F45-Q49 HydrophobicContact CE1-CG 3.85Å; F45-Q49 VanDerWaalsContact CE1-NE2 3.28Å; F45-Q49 HydrophobicContact CZ-CG 4.19Å; F45-Q49 VanDerWaalsContact O-CB 3.26Å; F45-Q49 WeakPolarHBondContact O-CB 3.24Å; F45-Q49 VanDerWaalsContact O-CG 3.3Å; F45-Q49 WeakPolarHBondContact O-CG 3.35Å; F45-Q49 PolarHBondContact O-N 2.96Å
46	K	54.2	Low	44.2	Very low	124 Å²	124	74.7 Å²	74.7	54%	0.539	37%	0.366	S	S	.	.	H	α-helix	trans	-71.1	-40.2	169.9	-81.3	175.4	179.9	-179.6	0	112.3	K42 E43 L44 M50	K42-K46 WeakPolarHBondContact O-CB 3.32Å; K42-K46 WeakPolarHBondContact O-CD 3.23Å; K42-K46 WeakPolarHBondContact O-CG 3.34Å; K42-K46 PolarHBondContact O-N 2.86Å; E43-K46 WeakPolarHBondContact O-CB 3.14Å; E43-K46 PolarHBondContact O-N 3.45Å; L44-K46 VanDerWaalsContact C-N 3.27Å; L44-K46 PolarHBondContact O-N 3.21Å; K46-M50 VanDerWaalsContact O-CB 3.25Å; K46-M50 WeakPolarHBondContact O-CB 3.37Å; K46-M50 WeakPolarHBondContact O-CG 3.17Å; K46-M50 PolarHBondContact O-N 2.85Å
47	E	52.2	Low	43.8	Very low	98 Å²	98	80.3 Å²	80.3	46%	0.458	38%	0.377	S	S	.	.	H	α-helix	trans	-58.8	-52.3	172.3	-70.4	-180	131.6	0	0	110.3	R29 E43 L44 Q49 M50 S51	R29-E47 IonicContact CZ-OE1 3.48Å; R29-E47 IonicContact CZ-OE2 2.65Å; R29-E47 IonicContact NH1-OE1 3.25Å; R29-E47 PolarHBondContact NH1-OE1 3.05Å; R29-E47 IonicContact NH1-OE2 3.96Å; R29-E47 PolarHBondContact NH1-OE2 3.03Å; E43-E47 PolarHBondContact O-N 3.05Å; L44-E47 WeakPolarHBondContact CD2-OE2 3.35Å; L44-E47 WeakPolarHBondContact O-CB 3.36Å; L44-E47 PolarHBondContact O-N 3.45Å; E47-Q49 PolarHBondContact O-N 3.45Å; E47-M50 PolarHBondContact O-N 3.01Å; E47-S51 WeakPolarHBondContact O-CB 3Å; E47-S51 PolarHBondContact O-N 3.09Å; E47-S51 PolarHBondContact O-OG 3.25Å
48	M	49.5	Very low	43.5	Very low	20 Å²	20	86.4 Å²	86.4	10%	0.099	39%	0.393	C	S	.	.	H	α-helix	trans	-61.2	-42.2	178.6	-170.9	-171.9	74.9	0	0	112.8	F26 L44 F45 S51 T52	F26-M48 HydrophobicContact CB-CB 4.47Å; F26-M48 HydrophobicContact CB-CG 4.46Å; F26-M48 HydrophobicContact CB-SD 4.05Å; F26-M48 HydrophobicContact CD1-SD 4.01Å; F26-M48 HydrophobicContact CD2-CB 4.05Å; F26-M48 HydrophobicContact CD2-SD 3.89Å; F26-M48 HydrophobicContact CE1-SD 4.47Å; F26-M48 HydrophobicContact CE2-SD 4.38Å; F26-M48 HydrophobicContact CG-CB 4.48Å; F26-M48 HydrophobicContact CG-SD 3.7Å; L44-M48 WeakPolarHBondContact O-CB 3.25Å; L44-M48 PolarHBondContact O-N 3.36Å; F45-M48 HydrophobicContact CD2-CE 3.6Å; F45-M48 HydrophobicContact CE2-CE 3.69Å; M48-S51 PolarHBondContact O-OG 3.16Å; M48-T52 WeakPolarHBondContact O-CB 3.25Å; M48-T52 PolarHBondContact O-N 2.99Å; M48-T52 PolarHBondContact O-OG1 3.22Å
49	Q	45.7	Very low	43.4	Very low	85 Å²	85	86.9 Å²	86.9	40%	0.397	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-46.3	173.9	-82.6	-168.5	-32.3	0	0	111.6	F45 E47 S51 T52 I53	F45-Q49 HydrophobicContact CD1-CG 4.1Å; F45-Q49 VanDerWaalsContact CE1-CD 3.4Å; F45-Q49 HydrophobicContact CE1-CG 3.85Å; F45-Q49 VanDerWaalsContact CE1-NE2 3.28Å; F45-Q49 HydrophobicContact CZ-CG 4.19Å; F45-Q49 VanDerWaalsContact O-CB 3.26Å; F45-Q49 WeakPolarHBondContact O-CB 3.24Å; F45-Q49 VanDerWaalsContact O-CG 3.3Å; F45-Q49 WeakPolarHBondContact O-CG 3.35Å; F45-Q49 PolarHBondContact O-N 2.96Å; E47-Q49 PolarHBondContact O-N 3.45Å; Q49-S51 VanDerWaalsContact C-N 3.34Å; Q49-S51 PolarHBondContact O-N 3.14Å; Q49-T52 PolarHBondContact O-N 2.97Å; Q49-I53 VanDerWaalsContact O-CB 3.31Å; Q49-I53 WeakPolarHBondContact O-CB 3.43Å; Q49-I53 WeakPolarHBondContact O-CD1 3.43Å; Q49-I53 WeakPolarHBondContact O-CG1 3.32Å; Q49-I53 PolarHBondContact O-N 2.95Å
50	M	36	Very low	42.8	Very low	109 Å²	109	84 Å²	84	54%	0.537	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-43.1	179.5	-75.3	-70.5	-71.2	0	0	111.3	K46 E47 I53 F54	K46-M50 VanDerWaalsContact O-CB 3.25Å; K46-M50 WeakPolarHBondContact O-CB 3.37Å; K46-M50 WeakPolarHBondContact O-CG 3.17Å; K46-M50 PolarHBondContact O-N 2.85Å; E47-M50 PolarHBondContact O-N 3.01Å; M50-I53 PolarHBondContact O-N 2.89Å; M50-F54 HydrophobicContact CE-CE2 4.02Å; M50-F54 VanDerWaalsContact O-CD2 3.23Å; M50-F54 WeakPolarHBondContact O-CD2 3.48Å; M50-F54 PolarHBondContact O-N 2.89Å
51	S	39.9	Very low	42.1	Very low	23 Å²	23	89 Å²	89	16%	0.161	41%	0.411	C	S	.	.	H	α-helix	trans	-69.4	-43.2	180	82.1	0	0	0	0	111.7	D22 E47 M48 Q49 I53 F54 M55	D22-S51 WeakPolarHBondContact CB-OG 3.33Å; D22-S51 WeakPolarHBondContact OD2-CB 3.47Å; D22-S51 PolarHBondContact OD2-OG 2.93Å; E47-S51 WeakPolarHBondContact O-CB 3Å; E47-S51 PolarHBondContact O-N 3.09Å; E47-S51 PolarHBondContact O-OG 3.25Å; M48-S51 PolarHBondContact O-OG 3.16Å; Q49-S51 VanDerWaalsContact C-N 3.34Å; Q49-S51 PolarHBondContact O-N 3.14Å; S51-I53 VanDerWaalsContact C-N 3.3Å; S51-I53 PolarHBondContact O-N 3.26Å; S51-F54 PolarHBondContact O-N 2.78Å; S51-M55 WeakPolarHBondContact O-CB 3.24Å; S51-M55 WeakPolarHBondContact O-CG 3.29Å; S51-M55 PolarHBondContact O-N 3.09Å
52	T	41.8	Very low	41.7	Very low	83 Å²	83	90.6 Å²	90.6	51%	0.509	43%	0.429	S	S	.	.	H	α-helix	trans	-57.2	-41	171.1	-57.7	0	0	0	0	111.6	M48 Q49 G56	M48-T52 WeakPolarHBondContact O-CB 3.25Å; M48-T52 PolarHBondContact O-N 2.99Å; M48-T52 PolarHBondContact O-OG1 3.22Å; Q49-T52 PolarHBondContact O-N 2.97Å; T52-G56 PolarHBondContact O-N 2.89Å
53	I	31.9	Very low	41	Very low	92 Å²	92	89.8 Å²	89.8	47%	0.472	43%	0.428	S	S	.	.	H	α-helix	trans	-68	-36.6	176	-72.4	164.2	0	0	0	111.8	Q49 M50 S51 R57	Q49-I53 VanDerWaalsContact O-CB 3.31Å; Q49-I53 WeakPolarHBondContact O-CB 3.43Å; Q49-I53 WeakPolarHBondContact O-CD1 3.43Å; Q49-I53 WeakPolarHBondContact O-CG1 3.32Å; Q49-I53 PolarHBondContact O-N 2.95Å; M50-I53 PolarHBondContact O-N 2.89Å; S51-I53 VanDerWaalsContact C-N 3.3Å; S51-I53 PolarHBondContact O-N 3.26Å; I53-R57 PolarHBondContact O-N 3.02Å
54	F	30.4	Very low	39.9	Very low	140 Å²	140	94 Å²	94	61%	0.614	44%	0.44	S	S	*	.	H	α-helix	trans	-71.9	-41.5	175.7	-89.9	-67.8	0	0	0	112.7	M50 S51	M50-F54 HydrophobicContact CE-CE2 4.02Å; M50-F54 VanDerWaalsContact O-CD2 3.23Å; M50-F54 WeakPolarHBondContact O-CD2 3.48Å; M50-F54 PolarHBondContact O-N 2.89Å; S51-F54 PolarHBondContact O-N 2.78Å
55	M	35.5	Very low	39	Very low	55 Å²	55	95.3 Å²	95.3	27%	0.271	46%	0.455	S	S	.	.	H	α-helix	trans	-67.9	-42.7	175	-74.5	-146.3	80.6	0	0	112.9	G18 I19 S51 R57 R58 N59	G18-M55 WeakPolarHBondContact CA-SD 3.07Å; I19-M55 HydrophobicContact CB-SD 4.49Å; I19-M55 HydrophobicContact CG1-CE 4.07Å; I19-M55 HydrophobicContact CG1-SD 3.67Å; I19-M55 PolarHBondContact N-SD 3.04Å; S51-M55 WeakPolarHBondContact O-CB 3.24Å; S51-M55 WeakPolarHBondContact O-CG 3.29Å; S51-M55 PolarHBondContact O-N 3.09Å; M55-R57 PolarHBondContact O-N 2.84Å; M55-R58 PolarHBondContact O-N 2.89Å; M55-N59 PolarHBondContact O-N 3.35Å
56	G	32.6	Very low	38.3	Very low	9 Å²	9	98.7 Å²	98.7	9%	0.093	47%	0.468	C	S	.	.	H	α-helix	trans	-53.5	-39.5	177.2	0	0	0	0	0	111.4	T52 R58 N59 I60	T52-G56 PolarHBondContact O-N 2.89Å; G56-R58 PolarHBondContact O-N 2.9Å; G56-N59 PolarHBondContact O-N 2.97Å; G56-I60 VanDerWaalsContact C-CD1 3.5Å; G56-I60 WeakPolarHBondContact O-CB 3.2Å; G56-I60 VanDerWaalsContact O-CD1 3.32Å; G56-I60 WeakPolarHBondContact O-CD1 3.3Å; G56-I60 WeakPolarHBondContact O-CG1 3.31Å; G56-I60 PolarHBondContact O-N 3.34Å
57	R	33.9	Very low	37.3	Very low	197 Å²	197	96.9 Å²	96.9	74%	0.743	46%	0.464	S	S	*	.	H	α-helix	trans	-64.7	-4.7	177.5	-78.6	-178	168.2	145.9	0.8	116.1	I53 M55	I53-R57 PolarHBondContact O-N 3.02Å; M55-R57 PolarHBondContact O-N 2.84Å
58	R	36.6	Very low	36.7	Very low	222 Å²	222	96 Å²	96	84%	0.838	47%	0.467	S	S	*	.	H	α-helix	trans	-116.2	-35.1	167.5	-72.9	179.3	171.8	157.2	-4.6	113.4	M55 G56	M55-R58 PolarHBondContact O-N 2.89Å; G56-R58 PolarHBondContact O-N 2.9Å
59	N	36.6	Very low	36	Very low	73 Å²	73	101.6 Å²	101.6	39%	0.39	49%	0.491	S	S	.	.	H	α-helix	trans	-104.6	2.2	-176.9	-80.3	2.1	0	0	0	116.6	M55 G56 H61 S62 L63	M55-N59 PolarHBondContact O-N 3.35Å; G56-N59 PolarHBondContact O-N 2.97Å; N59-H61 PolarHBondContact O-N 2.81Å; N59-H61 VanDerWaalsContact O-N 3.09Å; N59-S62 PolarHBondContact O-N 2.92Å; N59-L63 HydrophobicContact CB-CD1 4.22Å; N59-L63 PolarHBondContact O-N 3.07Å
60	I	36.9	Very low	35.3	Very low	80 Å²	80	99.6 Å²	99.6	41%	0.41	49%	0.493	S	S	.	.	H	α-helix	trans	-57.2	-26	177.6	-89	164.7	0	0	0	113.3	G56 R64	G56-I60 VanDerWaalsContact C-CD1 3.5Å; G56-I60 WeakPolarHBondContact O-CB 3.2Å; G56-I60 VanDerWaalsContact O-CD1 3.32Å; G56-I60 WeakPolarHBondContact O-CD1 3.3Å; G56-I60 WeakPolarHBondContact O-CG1 3.31Å; G56-I60 PolarHBondContact O-N 3.34Å; I60-R64 WeakPolarHBondContact O-CB 3.26Å; I60-R64 VanDerWaalsContact O-CG 3.23Å; I60-R64 WeakPolarHBondContact O-CG 3.43Å; I60-R64 PolarHBondContact O-N 2.93Å; I60-R64 VanDerWaalsContact O-N 3.08Å
61	H	34.7	Very low	35.2	Very low	154 Å²	154	97.5 Å²	97.5	71%	0.713	50%	0.499	S	S	*	.	H	α-helix	trans	-70	-34.7	176.3	-73.4	-92.1	0	0	0	112.7	N59	N59-H61 PolarHBondContact O-N 2.81Å; N59-H61 VanDerWaalsContact O-N 3.09Å
62	S	35.7	Very low	35.2	Very low	92 Å²	92	103.6 Å²	103.6	64%	0.643	52%	0.52	S	S	*	.	H	α-helix	trans	-84.1	-40.8	175.1	-46.2	0	0	0	0	111.8	N59 R64 G65	N59-S62 PolarHBondContact O-N 2.92Å; S62-R64 PolarHBondContact O-N 3.07Å; S62-G65 PolarHBondContact O-N 3.23Å
63	L	37.7	Very low	35.1	Very low	71 Å²	71	106.4 Å²	106.4	37%	0.372	52%	0.521	S	S	.	.	H	α-helix	trans	-67.3	-13.1	176.4	-76.1	165.6	0	0	0	113.6	I19 N59 G65 Y66	I19-L63 HydrophobicContact CD1-CD1 4.16Å; N59-L63 HydrophobicContact CB-CD1 4.22Å; N59-L63 PolarHBondContact O-N 3.07Å; L63-G65 PolarHBondContact O-N 3.29Å; L63-Y66 HydrophobicContact CD2-CD2 4.14Å; L63-Y66 VanDerWaalsContact O-CB 3.28Å; L63-Y66 WeakPolarHBondContact O-CB 3.34Å; L63-Y66 PolarHBondContact O-N 2.73Å
64	R	33.2	Very low	35.6	Very low	192 Å²	192	104.5 Å²	104.5	73%	0.725	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.6	165.2	-88.2	170.7	176.6	-174.7	0.3	113.9	I60 S62 Y66	I60-R64 WeakPolarHBondContact O-CB 3.26Å; I60-R64 VanDerWaalsContact O-CG 3.23Å; I60-R64 WeakPolarHBondContact O-CG 3.43Å; I60-R64 PolarHBondContact O-N 2.93Å; I60-R64 VanDerWaalsContact O-N 3.08Å; S62-R64 PolarHBondContact O-N 3.07Å; R64-Y66 VanDerWaalsContact C-N 3.34Å
65	G	33.5	Very low	36.2	Very low	37 Å²	37	98.7 Å²	98.7	38%	0.381	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.9	166.7	0	0	0	0	0	114.3	S62 L63 N67	S62-G65 PolarHBondContact O-N 3.23Å; L63-G65 PolarHBondContact O-N 3.29Å; G65-N67 PolarHBondContact O-N 2.66Å; G65-N67 VanDerWaalsContact O-N 3.14Å
66	Y	34.8	Very low	36.6	Very low	117 Å²	117	100.5 Å²	100.5	46%	0.459	50%	0.502	S	S	.	.			trans	-83.6	83.8	178.6	-124.3	-81.5	0	0	0	109.8	L63 R64 P68 L78	L63-Y66 HydrophobicContact CD2-CD2 4.14Å; L63-Y66 VanDerWaalsContact O-CB 3.28Å; L63-Y66 WeakPolarHBondContact O-CB 3.34Å; L63-Y66 PolarHBondContact O-N 2.73Å; R64-Y66 VanDerWaalsContact C-N 3.34Å; Y66-P68 WeakPolarHBondContact O-CD 3.47Å; Y66-L78 HydrophobicContact CD2-CD2 4.02Å; Y66-L78 HydrophobicContact CE2-CD1 3.59Å; Y66-L78 HydrophobicContact CE2-CD2 3.76Å; Y66-L78 HydrophobicContact CE2-CG 4.35Å
67	N	33	Very low	37.3	Very low	86 Å²	86	102.3 Å²	102.3	46%	0.46	51%	0.513	S	S	.	.			trans	-90.4	109.2	176.7	-176.5	-9.5	0	0	0	110.1	G65 F69 G70	G65-N67 PolarHBondContact O-N 2.66Å; G65-N67 VanDerWaalsContact O-N 3.14Å; N67-F69 PolarHBondContact O-N 3.1Å; N67-F69 PolarHBondContact OD1-N 3.5Å; N67-G70 WeakPolarHBondContact ND2-CA 3.5Å; N67-G70 PolarHBondContact O-N 3.15Å; N67-G70 VanDerWaalsContact O-N 3.16Å; N67-G70 PolarHBondContact OD1-N 3.22Å
68	P	41.3	Very low	37.9	Very low	79 Å²	79	96.1 Å²	96.1	51%	0.513	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-7.9	-179.4	26.1	-34.2	0	0	0	114.3	Y66	Y66-P68 WeakPolarHBondContact O-CD 3.47Å
69	F	35	Very low	38.3	Very low	137 Å²	137	86.5 Å²	86.5	60%	0.601	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	15	178.5	-58.1	-71.7	0	0	0	113.8	N67	N67-F69 PolarHBondContact O-N 3.1Å; N67-F69 PolarHBondContact OD1-N 3.5Å
70	G	31.1	Very low	39.1	Very low	44 Å²	44	88.9 Å²	88.9	45%	0.454	47%	0.47	S	S	.	.	S	Bend	trans	-144.4	69.2	-168.6	0	0	0	0	0	115.2	N67	N67-G70 WeakPolarHBondContact ND2-CA 3.5Å; N67-G70 PolarHBondContact O-N 3.15Å; N67-G70 VanDerWaalsContact O-N 3.16Å; N67-G70 PolarHBondContact OD1-N 3.22Å
71	G	32.1	Very low	39.6	Very low	64 Å²	64	90.6 Å²	90.6	66%	0.66	48%	0.48	S	S	*	.			trans	81.4	127.6	173	0	0	0	0	0	113	R73	G71-R73 PolarHBondContact O-N 2.97Å
72	Y	39.7	Very low	40.2	Very low	151 Å²	151	90.5 Å²	90.5	59%	0.592	48%	0.48	S	S	*	.			trans	-64.9	102.8	159.1	-81.9	-88.8	0	0	0	107.4	S74 L101 Q107	Y72-S74 PolarHBondContact O-N 2.86Å; Y72-S74 VanDerWaalsContact O-N 3.15Å; Y72-L101 PolarHBondContact OH-O 2.83Å; Y72-Q107 PolarHBondContact OH-NE2 3.47Å
73	R	40.1	Very low	40.5	Very low	143 Å²	143	88.3 Å²	88.3	54%	0.54	46%	0.459	S	S	.	.			trans	-56.7	111.4	146	-87.3	-174.8	-178.9	-102.1	-4.5	105.5	G71 S77 L78	G71-R73 PolarHBondContact O-N 2.97Å; R73-S77 VanDerWaalsContact CA-OG 3.25Å; R73-S77 WeakPolarHBondContact CA-OG 3.38Å; R73-S77 WeakPolarHBondContact CB-OG 3.44Å; R73-S77 WeakPolarHBondContact CG-OG 3.39Å; R73-S77 PolarHBondContact NH1-O 3.2Å; R73-L78 HydrophobicContact CB-CG 4.34Å
74	S	42.7	Very low	41.2	Very low	52 Å²	52	87.8 Å²	87.8	36%	0.364	45%	0.454	S	S	.	.			trans	-52.1	155	170.4	51.1	0	0	0	0	109.3	Y72 D76 S77 L78	Y72-S74 PolarHBondContact O-N 2.86Å; Y72-S74 VanDerWaalsContact O-N 3.15Å; S74-D76 PolarHBondContact O-N 2.77Å; S74-D76 VanDerWaalsContact O-N 3.17Å; S74-S77 PolarHBondContact N-OG 2.83Å; S74-S77 WeakPolarHBondContact O-CA 3.48Å; S74-S77 PolarHBondContact O-N 2.71Å; S74-S77 PolarHBondContact O-OG 3.48Å; S74-S77 PolarHBondContact OG-OG 3.4Å; S74-L78 PolarHBondContact O-N 2.92Å
75	L	44.3	Very low	41.9	Very low	18 Å²	18	85.3 Å²	85.3	9%	0.094	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-50.9	-39	170	-98.5	160.2	0	0	0	111.5	S77 L78 L79 L97 L101	L75-S77 PolarHBondContact O-N 2.76Å; L75-L78 PolarHBondContact O-N 2.81Å; L75-L79 HydrophobicContact CB-CD1 4.19Å; L75-L79 HydrophobicContact CD2-CD1 4.39Å; L75-L79 HydrophobicContact CD2-CG 4.33Å; L75-L79 WeakPolarHBondContact O-CB 2.95Å; L75-L79 VanDerWaalsContact O-CG 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.15Å; L75-L79 PolarHBondContact O-N 2.85Å; L75-L97 HydrophobicContact CD1-CB 3.61Å; L75-L97 HydrophobicContact CD1-CD1 3.94Å; L75-L97 HydrophobicContact CD1-CD2 4.43Å; L75-L97 HydrophobicContact CD1-CG 4.22Å; L75-L97 HydrophobicContact CD2-CD1 4.48Å; L75-L101 HydrophobicContact CD1-CD1 3.7Å; L75-L101 HydrophobicContact CD2-CD1 4.2Å; L75-L101 HydrophobicContact CG-CD1 3.78Å
76	D	43.3	Very low	42.6	Very low	93 Å²	93	88.2 Å²	88.2	50%	0.497	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-56.9	-12.4	172.4	-168	65.2	0	0	0	115.6	S74 K84	S74-D76 PolarHBondContact O-N 2.77Å; S74-D76 VanDerWaalsContact O-N 3.17Å; D76-K84 WeakPolarHBondContact O-CE 3.25Å; D76-K84 PolarHBondContact O-NZ 3.27Å; D76-K84 WeakPolarHBondContact OD1-CD 3.38Å; D76-K84 WeakPolarHBondContact OD1-CE 3.22Å; D76-K84 IonicContact OD1-NZ 2.67Å; D76-K84 PolarHBondContact OD1-NZ 2.68Å; D76-K84 IonicContact OD2-NZ 2.68Å; D76-K84 PolarHBondContact OD2-NZ 3.47Å
77	S	47.2	Very low	43.1	Very low	47 Å²	47	83.4 Å²	83.4	33%	0.329	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-114.3	8.5	174.8	70.6	0	0	0	0	114.4	R73 S74 L75	R73-S77 VanDerWaalsContact CA-OG 3.25Å; R73-S77 WeakPolarHBondContact CA-OG 3.38Å; R73-S77 WeakPolarHBondContact CB-OG 3.44Å; R73-S77 WeakPolarHBondContact CG-OG 3.39Å; R73-S77 PolarHBondContact NH1-O 3.2Å; S74-S77 PolarHBondContact N-OG 2.83Å; S74-S77 WeakPolarHBondContact O-CA 3.48Å; S74-S77 PolarHBondContact O-N 2.71Å; S74-S77 PolarHBondContact O-OG 3.48Å; S74-S77 PolarHBondContact OG-OG 3.4Å; L75-S77 PolarHBondContact O-N 2.76Å
78	L	45.7	Very low	43.9	Very low	66 Å²	66	82 Å²	82	35%	0.346	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-29.7	171	-71.3	162.5	0	0	0	111.7	Y66 R73 S74 L75	Y66-L78 HydrophobicContact CD2-CD2 4.02Å; Y66-L78 HydrophobicContact CE2-CD1 3.59Å; Y66-L78 HydrophobicContact CE2-CD2 3.76Å; Y66-L78 HydrophobicContact CE2-CG 4.35Å; R73-L78 HydrophobicContact CB-CG 4.34Å; S74-L78 PolarHBondContact O-N 2.92Å; L75-L78 PolarHBondContact O-N 2.81Å
79	L	46.1	Very low	44.4	Very low	21 Å²	21	85 Å²	85	11%	0.11	46%	0.455	C	S	.	.	S	Bend	trans	-76.8	136	175.2	-64.7	165.8	0	0	0	111.4	L75 Q83 K84 L87 L94	L75-L79 HydrophobicContact CB-CD1 4.19Å; L75-L79 HydrophobicContact CD2-CD1 4.39Å; L75-L79 HydrophobicContact CD2-CG 4.33Å; L75-L79 WeakPolarHBondContact O-CB 2.95Å; L75-L79 VanDerWaalsContact O-CG 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.15Å; L75-L79 PolarHBondContact O-N 2.85Å; L79-Q83 HydrophobicContact CB-CB 4.15Å; L79-Q83 HydrophobicContact CD2-CB 3.85Å; L79-K84 HydrophobicContact CB-CG 4.05Å; L79-L87 HydrophobicContact CD1-CD1 3.6Å; L79-L87 HydrophobicContact CD2-CD1 3.75Å; L79-L87 HydrophobicContact CG-CD1 4.35Å; L79-L94 HydrophobicContact CD1-CD2 4.19Å
80	M	53.2	Low	45.2	Very low	122 Å²	122	82.2 Å²	82.2	60%	0.601	45%	0.446	S	S	*	.			trans	-72.9	159	166.3	-60.2	-62.8	158.5	0	0	110.3	E82 Q83 K84	M80-E82 VanDerWaalsContact C-N 3.3Å; M80-E82 PolarHBondContact O-N 2.81Å; M80-Q83 HydrophobicContact CB-CG 4.22Å; M80-Q83 CarbonylContact O-C 3.58Å; M80-Q83 WeakPolarHBondContact O-CA 3.36Å; M80-Q83 VanDerWaalsContact O-CB 3.3Å; M80-Q83 WeakPolarHBondContact O-CB 3.26Å; M80-Q83 PolarHBondContact O-N 2.84Å; M80-K84 PolarHBondContact O-N 3.47Å
81	N	48.3	Very low	46.1	Very low	117 Å²	117	85.6 Å²	85.6	63%	0.626	45%	0.454	S	S	*	.	H	α-helix	trans	-54.9	-43.1	-177.8	-69.1	3.6	0	0	0	112.9	Q83 K84 E85	N81-Q83 PolarHBondContact O-N 3.3Å; N81-Q83 VanDerWaalsContact O-N 3.15Å; N81-K84 WeakPolarHBondContact O-CA 3.32Å; N81-K84 WeakPolarHBondContact O-CB 3.13Å; N81-K84 PolarHBondContact O-N 2.98Å; N81-E85 PolarHBondContact O-N 3.47Å
82	E	45.5	Very low	46.9	Very low	151 Å²	151	87.1 Å²	87.1	71%	0.706	46%	0.455	S	S	*	.	H	α-helix	trans	-53.6	-33.1	172.9	-57.2	166.2	170.3	0	0	113	M80 T86	M80-E82 VanDerWaalsContact C-N 3.3Å; M80-E82 PolarHBondContact O-N 2.81Å; E82-T86 PolarHBondContact O-N 2.99Å; E82-T86 PolarHBondContact O-OG1 3.17Å
83	Q	44	Very low	47	Very low	47 Å²	47	80.9 Å²	80.9	22%	0.22	43%	0.434	C	S	.	.	H	α-helix	trans	-87	-21.8	179.4	-55.7	173.7	-24.8	0	0	112.2	A15 L79 M80 N81 T86 L87	A15-Q83 HydrophobicContact CB-CB 4.44Å; A15-Q83 HydrophobicContact CB-CG 4.04Å; L79-Q83 HydrophobicContact CB-CB 4.15Å; L79-Q83 HydrophobicContact CD2-CB 3.85Å; M80-Q83 HydrophobicContact CB-CG 4.22Å; M80-Q83 CarbonylContact O-C 3.58Å; M80-Q83 WeakPolarHBondContact O-CA 3.36Å; M80-Q83 VanDerWaalsContact O-CB 3.3Å; M80-Q83 WeakPolarHBondContact O-CB 3.26Å; M80-Q83 PolarHBondContact O-N 2.84Å; N81-Q83 PolarHBondContact O-N 3.3Å; N81-Q83 VanDerWaalsContact O-N 3.15Å; Q83-T86 WeakPolarHBondContact CA-OG1 3.31Å; Q83-T86 PolarHBondContact O-OG1 3.49Å; Q83-L87 WeakPolarHBondContact O-CB 3.46Å; Q83-L87 WeakPolarHBondContact O-CD1 3.35Å; Q83-L87 PolarHBondContact O-N 2.91Å
84	K	50.4	Low	47.3	Very low	60 Å²	60	76 Å²	76	26%	0.261	42%	0.419	S	S	.	.	H	α-helix	trans	-74.7	-43.5	170.3	-61.4	-176.2	-179.9	-150.1	0	110.9	D76 L79 M80 N81 T86 L87 A88	D76-K84 WeakPolarHBondContact O-CE 3.25Å; D76-K84 PolarHBondContact O-NZ 3.27Å; D76-K84 WeakPolarHBondContact OD1-CD 3.38Å; D76-K84 WeakPolarHBondContact OD1-CE 3.22Å; D76-K84 IonicContact OD1-NZ 2.67Å; D76-K84 PolarHBondContact OD1-NZ 2.68Å; D76-K84 IonicContact OD2-NZ 2.68Å; D76-K84 PolarHBondContact OD2-NZ 3.47Å; L79-K84 HydrophobicContact CB-CG 4.05Å; M80-K84 PolarHBondContact O-N 3.47Å; N81-K84 WeakPolarHBondContact O-CA 3.32Å; N81-K84 WeakPolarHBondContact O-CB 3.13Å; N81-K84 PolarHBondContact O-N 2.98Å; K84-T86 VanDerWaalsContact C-N 3.33Å; K84-T86 PolarHBondContact O-N 2.89Å; K84-L87 CarbonylContact O-C 3.48Å; K84-L87 WeakPolarHBondContact O-CA 3.23Å; K84-L87 PolarHBondContact O-N 3.16Å; K84-A88 PolarHBondContact O-N 3.46Å
85	E	49.5	Very low	47.5	Very low	139 Å²	139	76.1 Å²	76.1	65%	0.65	42%	0.423	S	S	*	.	H	α-helix	trans	-59.3	-45.1	177.5	-71.6	168.3	175.8	0	0	110.6	N81 L87 A88	N81-E85 PolarHBondContact O-N 3.47Å; E85-L87 PolarHBondContact O-N 2.84Å; E85-A88 PolarHBondContact O-N 2.62Å
86	T	48.5	Very low	47.6	Very low	98 Å²	98	78.2 Å²	78.2	60%	0.601	43%	0.434	S	S	*	.	H	α-helix	trans	-71.7	-4.2	173.2	41.3	0	0	0	0	115.4	E82 Q83 K84	E82-T86 PolarHBondContact O-N 2.99Å; E82-T86 PolarHBondContact O-OG1 3.17Å; Q83-T86 WeakPolarHBondContact CA-OG1 3.31Å; Q83-T86 PolarHBondContact O-OG1 3.49Å; K84-T86 VanDerWaalsContact C-N 3.33Å; K84-T86 PolarHBondContact O-N 2.89Å
87	L	45.2	Very low	47.7	Very low	17 Å²	17	75.4 Å²	75.4	9%	0.089	42%	0.419	C	S	.	.	H	α-helix	trans	-113.3	-14.1	175.4	-83.8	165.8	0	0	0	114.6	F12 L79 Q83 K84 E85 D89 N90 L94	F12-L87 HydrophobicContact CD1-CD2 4.46Å; F12-L87 HydrophobicContact CE1-CD2 3.64Å; F12-L87 HydrophobicContact CZ-CD2 4.43Å; L79-L87 HydrophobicContact CD1-CD1 3.6Å; L79-L87 HydrophobicContact CD2-CD1 3.75Å; L79-L87 HydrophobicContact CG-CD1 4.35Å; Q83-L87 WeakPolarHBondContact O-CB 3.46Å; Q83-L87 WeakPolarHBondContact O-CD1 3.35Å; Q83-L87 PolarHBondContact O-N 2.91Å; K84-L87 CarbonylContact O-C 3.48Å; K84-L87 WeakPolarHBondContact O-CA 3.23Å; K84-L87 PolarHBondContact O-N 3.16Å; E85-L87 PolarHBondContact O-N 2.84Å; L87-D89 VanDerWaalsContact C-N 3.26Å; L87-D89 PolarHBondContact O-N 3.47Å; L87-N90 HydrophobicContact CD2-CB 4.41Å; L87-N90 CarbonylContact O-C 3.51Å; L87-N90 PolarHBondContact O-N 2.81Å; L87-L94 HydrophobicContact CB-CD1 4.11Å; L87-L94 HydrophobicContact CB-CD2 4.11Å; L87-L94 HydrophobicContact CB-CG 4.07Å; L87-L94 HydrophobicContact CD1-CD2 4.01Å; L87-L94 HydrophobicContact CD2-CD2 4.23Å; L87-L94 HydrophobicContact CD2-CG 4.15Å; L87-L94 HydrophobicContact CG-CD2 4.35Å
88	A	49.1	Very low	47.7	Very low	56 Å²	56	76.4 Å²	76.4	46%	0.463	42%	0.42	S	S	.	.	H	α-helix	trans	-60.3	-36.6	174.8	0	0	0	0	0	112.1	K84 E85 N90 N91	K84-A88 PolarHBondContact O-N 3.46Å; E85-A88 PolarHBondContact O-N 2.62Å; A88-N90 PolarHBondContact O-N 2.85Å; A88-N91 PolarHBondContact O-ND2 3.22Å
89	D	52.4	Low	47.8	Very low	141 Å²	141	78.5 Å²	78.5	75%	0.754	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-16.7	174.8	-62	-29.9	0	0	0	113.1	L87	L87-D89 VanDerWaalsContact C-N 3.26Å; L87-D89 PolarHBondContact O-N 3.47Å
90	N	51.7	Low	47.9	Very low	79 Å²	79	80.5 Å²	80.5	42%	0.422	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	46.8	-169.6	-74.8	-73.7	0	0	0	112.5	L87 A88 S92 A93 L94	L87-N90 HydrophobicContact CD2-CB 4.41Å; L87-N90 CarbonylContact O-C 3.51Å; L87-N90 PolarHBondContact O-N 2.81Å; A88-N90 PolarHBondContact O-N 2.85Å; N90-S92 PolarHBondContact O-N 2.91Å; N90-S92 VanDerWaalsContact O-N 3.14Å; N90-A93 HydrophobicContact CB-CB 4Å; N90-A93 WeakPolarHBondContact O-CA 3.49Å; N90-A93 WeakPolarHBondContact O-CB 3.49Å; N90-A93 PolarHBondContact O-N 3.3Å; N90-L94 PolarHBondContact O-N 2.81Å
91	N	50.3	Low	47.7	Very low	115 Å²	115	76.4 Å²	76.4	62%	0.615	42%	0.423	S	S	*	.	H	α-helix	trans	-50.5	-37.2	178.2	-74.1	-59.3	0	0	0	114.2	A88 A93 L94 A95	A88-N91 PolarHBondContact O-ND2 3.22Å; N91-A93 VanDerWaalsContact C-N 3.33Å; N91-A93 PolarHBondContact O-N 3.01Å; N91-L94 PolarHBondContact O-N 3.09Å; N91-A95 WeakPolarHBondContact O-CB 3.44Å; N91-A95 PolarHBondContact O-N 3.16Å
92	S	47.4	Very low	47.8	Very low	96 Å²	96	73.4 Å²	73.4	67%	0.671	41%	0.41	S	S	*	.	H	α-helix	trans	-64	-37.4	174.9	54.1	0	0	0	0	112.6	N90 L96	N90-S92 PolarHBondContact O-N 2.91Å; N90-S92 VanDerWaalsContact O-N 3.14Å; S92-L96 WeakPolarHBondContact O-CB 3.38Å; S92-L96 PolarHBondContact O-N 3.46Å
93	A	43.3	Very low	48.2	Very low	20 Å²	20	67.9 Å²	67.9	17%	0.165	39%	0.389	C	S	.	.	H	α-helix	trans	-77.2	-35.2	-179.8	0	0	0	0	0	111.6	F12 N90 N91 L96 L97	F12-A93 HydrophobicContact CE2-CB 4.24Å; F12-A93 HydrophobicContact CZ-CB 3.62Å; N90-A93 HydrophobicContact CB-CB 4Å; N90-A93 WeakPolarHBondContact O-CA 3.49Å; N90-A93 WeakPolarHBondContact O-CB 3.49Å; N90-A93 PolarHBondContact O-N 3.3Å; N91-A93 VanDerWaalsContact C-N 3.33Å; N91-A93 PolarHBondContact O-N 3.01Å; A93-L96 PolarHBondContact O-N 3.14Å; A93-L97 WeakPolarHBondContact O-CB 3.32Å; A93-L97 PolarHBondContact O-N 2.73Å
94	L	44.6	Very low	48.5	Very low	41 Å²	41	69.7 Å²	69.7	22%	0.215	40%	0.4	C	S	.	.	H	α-helix	trans	-58.6	-49.9	167.3	-83.1	174.1	0	0	0	111.5	L79 L87 N90 N91 L96 L97 D98	L79-L94 HydrophobicContact CD1-CD2 4.19Å; L87-L94 HydrophobicContact CB-CD1 4.11Å; L87-L94 HydrophobicContact CB-CD2 4.11Å; L87-L94 HydrophobicContact CB-CG 4.07Å; L87-L94 HydrophobicContact CD1-CD2 4.01Å; L87-L94 HydrophobicContact CD2-CD2 4.23Å; L87-L94 HydrophobicContact CD2-CG 4.15Å; L87-L94 HydrophobicContact CG-CD2 4.35Å; N90-L94 PolarHBondContact O-N 2.81Å; N91-L94 PolarHBondContact O-N 3.09Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.23Å; L94-L97 WeakPolarHBondContact O-CB 3.44Å; L94-L97 PolarHBondContact O-N 3.32Å; L94-L97 VanDerWaalsContact O-N 3.13Å; L94-D98 PolarHBondContact O-N 3.37Å
95	A	47.3	Very low	48.4	Very low	54 Å²	54	69.7 Å²	69.7	45%	0.446	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-36.9	178.9	0	0	0	0	0	112.7	N91 N99	N91-A95 WeakPolarHBondContact O-CB 3.44Å; N91-A95 PolarHBondContact O-N 3.16Å; A95-N99 WeakPolarHBondContact O-CB 3.24Å; A95-N99 PolarHBondContact O-N 2.88Å; A95-N99 PolarHBondContact O-ND2 2.88Å
96	L	45.8	Very low	48.4	Very low	63 Å²	63	65.8 Å²	65.8	33%	0.33	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-42.9	171.6	-168.7	79.8	0	0	0	111.2	S92 A93 L94 N99 I100	S92-L96 WeakPolarHBondContact O-CB 3.38Å; S92-L96 PolarHBondContact O-N 3.46Å; A93-L96 PolarHBondContact O-N 3.14Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.23Å; L96-N99 WeakPolarHBondContact O-CB 3.37Å; L96-N99 PolarHBondContact O-N 3.36Å; L96-I100 HydrophobicContact CD2-CD1 4.36Å; L96-I100 HydrophobicContact CG-CD1 4.07Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.3Å; L96-I100 PolarHBondContact O-N 2.94Å
97	L	46.9	Very low	48.6	Very low	33 Å²	33	65.2 Å²	65.2	17%	0.173	38%	0.379	C	S	.	.	H	α-helix	trans	-66.3	-46.8	179.5	-116.2	-177.4	0	0	0	112.1	F12 L75 A93 L94 N99 I100 L101	F12-L97 HydrophobicContact CD1-CD1 3.66Å; F12-L97 HydrophobicContact CE1-CD1 3.27Å; F12-L97 HydrophobicContact CE1-CG 4.16Å; F12-L97 HydrophobicContact CE2-CD1 4.24Å; F12-L97 HydrophobicContact CE2-CG 4.32Å; F12-L97 HydrophobicContact CG-CD1 4.27Å; F12-L97 HydrophobicContact CZ-CD1 3.59Å; F12-L97 HydrophobicContact CZ-CG 3.97Å; L75-L97 HydrophobicContact CD1-CB 3.61Å; L75-L97 HydrophobicContact CD1-CD1 3.94Å; L75-L97 HydrophobicContact CD1-CD2 4.43Å; L75-L97 HydrophobicContact CD1-CG 4.22Å; L75-L97 HydrophobicContact CD2-CD1 4.48Å; A93-L97 WeakPolarHBondContact O-CB 3.32Å; A93-L97 PolarHBondContact O-N 2.73Å; L94-L97 WeakPolarHBondContact O-CB 3.44Å; L94-L97 PolarHBondContact O-N 3.32Å; L94-L97 VanDerWaalsContact O-N 3.13Å; L97-N99 VanDerWaalsContact C-N 3.29Å; L97-N99 PolarHBondContact O-N 3.37Å; L97-I100 CarbonylContact O-C 3.41Å; L97-I100 PolarHBondContact O-N 3.31Å; L97-L101 HydrophobicContact CD2-CD1 4.48Å; L97-L101 HydrophobicContact CD2-CG 4.3Å; L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 WeakPolarHBondContact O-CG 3.39Å; L97-L101 PolarHBondContact O-N 3.13Å
98	D	47.3	Very low	48.7	Very low	68 Å²	68	65.8 Å²	65.8	36%	0.364	38%	0.383	S	S	.	.	H	α-helix	trans	-64	-34.1	175	-98.1	-16.1	0	0	0	111.2	L94 L101 S102	L94-D98 PolarHBondContact O-N 3.37Å; D98-L101 PolarHBondContact O-N 3.28Å; D98-S102 WeakPolarHBondContact O-CB 3.28Å; D98-S102 PolarHBondContact O-N 3.18Å; D98-S102 PolarHBondContact O-OG 3.07Å
99	N	47.9	Very low	48.7	Very low	110 Å²	110	66 Å²	66	59%	0.588	38%	0.379	S	S	*	.	H	α-helix	trans	-64.3	-36	169.3	-88	-37.9	0	0	0	113.1	A95 L96 L97 S102 S103	A95-N99 WeakPolarHBondContact O-CB 3.24Å; A95-N99 PolarHBondContact O-N 2.88Å; A95-N99 PolarHBondContact O-ND2 2.88Å; L96-N99 WeakPolarHBondContact O-CB 3.37Å; L96-N99 PolarHBondContact O-N 3.36Å; L97-N99 VanDerWaalsContact C-N 3.29Å; L97-N99 PolarHBondContact O-N 3.37Å; N99-S102 PolarHBondContact O-OG 3.45Å; N99-S103 WeakPolarHBondContact O-CA 3.47Å; N99-S103 VanDerWaalsContact O-CB 3.28Å; N99-S103 WeakPolarHBondContact O-CB 3.43Å; N99-S103 PolarHBondContact O-N 2.95Å
100	I	46.7	Very low	48.7	Very low	64 Å²	64	62.2 Å²	62.2	33%	0.328	36%	0.357	S	S	.	.	H	α-helix	trans	-73.2	-39	175.8	-70.5	164.3	0	0	0	111.3	L96 L97 S103 L106	L96-I100 HydrophobicContact CD2-CD1 4.36Å; L96-I100 HydrophobicContact CG-CD1 4.07Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.3Å; L96-I100 PolarHBondContact O-N 2.94Å; L97-I100 CarbonylContact O-C 3.41Å; L97-I100 PolarHBondContact O-N 3.31Å; I100-S103 VanDerWaalsContact O-CB 3.22Å; I100-S103 WeakPolarHBondContact O-CB 3.45Å; I100-S103 PolarHBondContact O-N 2.94Å; I100-L106 WeakPolarHBondContact O-CB 3.26Å
101	L	49.7	Very low	48.6	Very low	36 Å²	36	62.2 Å²	62.2	19%	0.188	36%	0.357	C	S	.	.	H	α-helix	trans	-76.9	-29.7	179.5	-65.7	-177	0	0	0	113.4	Y72 L75 L97 D98 L106	Y72-L101 PolarHBondContact OH-O 2.83Å; L75-L101 HydrophobicContact CD1-CD1 3.7Å; L75-L101 HydrophobicContact CD2-CD1 4.2Å; L75-L101 HydrophobicContact CG-CD1 3.78Å; L97-L101 HydrophobicContact CD2-CD1 4.48Å; L97-L101 HydrophobicContact CD2-CG 4.3Å; L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 WeakPolarHBondContact O-CG 3.39Å; L97-L101 PolarHBondContact O-N 3.13Å; D98-L101 PolarHBondContact O-N 3.28Å; L101-L106 HydrophobicContact CB-CD2 4.48Å; L101-L106 HydrophobicContact CD2-CD2 3.58Å
102	S	50.8	Low	48.5	Very low	53 Å²	53	57.5 Å²	57.5	37%	0.371	33%	0.332	S	S	.	.	H	α-helix	trans	-82.6	-17.6	170.8	62.7	0	0	0	0	113.3	D98 N99 Q107	D98-S102 WeakPolarHBondContact O-CB 3.28Å; D98-S102 PolarHBondContact O-N 3.18Å; D98-S102 PolarHBondContact O-OG 3.07Å; N99-S102 PolarHBondContact O-OG 3.45Å; S102-Q107 PolarHBondContact O-NE2 2.96Å
103	S	52.4	Low	48.7	Very low	36 Å²	36	56.9 Å²	56.9	25%	0.252	32%	0.318	S	S	.	.	S	Bend	trans	-51.6	136.4	-176.5	-166.5	0	0	0	0	114.1	N99 I100 V105 L106 Q107	N99-S103 WeakPolarHBondContact O-CA 3.47Å; N99-S103 VanDerWaalsContact O-CB 3.28Å; N99-S103 WeakPolarHBondContact O-CB 3.43Å; N99-S103 PolarHBondContact O-N 2.95Å; I100-S103 VanDerWaalsContact O-CB 3.22Å; I100-S103 WeakPolarHBondContact O-CB 3.45Å; I100-S103 PolarHBondContact O-N 2.94Å; S103-V105 PolarHBondContact O-N 3.12Å; S103-V105 WeakPolarHBondContact OG-CG2 3.24Å; S103-V105 PolarHBondContact OG-N 3.15Å; S103-L106 PolarHBondContact O-N 2.85Å; S103-L106 VanDerWaalsContact O-N 3.08Å; S103-Q107 PolarHBondContact O-N 3.44Å; S103-Q107 VanDerWaalsContact O-N 3.14Å
104	D	51.4	Low	49.1	Very low	85 Å²	85	58.9 Å²	58.9	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-46	-34.1	164.3	-57.1	-40	0	0	0	111.9	T108 K154	D104-T108 VanDerWaalsContact O-CB 3.31Å; D104-T108 WeakPolarHBondContact O-CB 3.42Å; D104-T108 PolarHBondContact O-N 3.12Å; D104-T108 PolarHBondContact O-OG1 3.19Å; D104-K154 IonicContact OD2-NZ 2.7Å; D104-K154 PolarHBondContact OD2-NZ 2.97Å
105	V	47.5	Very low	49.3	Very low	60 Å²	60	62 Å²	62	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-65.7	-49.1	-179.4	-176.2	0	0	0	0	111.4	S103 T108 V109 I147	S103-V105 PolarHBondContact O-N 3.12Å; S103-V105 WeakPolarHBondContact OG-CG2 3.24Å; S103-V105 PolarHBondContact OG-N 3.15Å; V105-T108 PolarHBondContact O-N 3.3Å; V105-V109 WeakPolarHBondContact O-CG2 3.09Å; V105-V109 PolarHBondContact O-N 2.83Å; V105-I147 HydrophobicContact CG2-CG2 3.94Å
106	L	50.7	Low	49.4	Very low	57 Å²	57	61.3 Å²	61.3	30%	0.298	33%	0.325	S	S	.	.	H	α-helix	trans	-69.9	-39.6	179.5	-175	65.6	0	0	0	111.1	I100 L101 S103 T108 V109 I110	I100-L106 WeakPolarHBondContact O-CB 3.26Å; L101-L106 HydrophobicContact CB-CD2 4.48Å; L101-L106 HydrophobicContact CD2-CD2 3.58Å; S103-L106 PolarHBondContact O-N 2.85Å; S103-L106 VanDerWaalsContact O-N 3.08Å; L106-T108 VanDerWaalsContact C-N 3.25Å; L106-T108 PolarHBondContact O-N 2.75Å; L106-V109 PolarHBondContact O-N 2.85Å; L106-I110 HydrophobicContact CD1-CD1 4.44Å; L106-I110 HydrophobicContact CG-CD1 4.02Å; L106-I110 WeakPolarHBondContact O-CG1 3.18Å; L106-I110 PolarHBondContact O-N 3.41Å
107	Q	51.7	Low	49.6	Very low	86 Å²	86	62.7 Å²	62.7	40%	0.402	34%	0.335	S	S	.	.	H	α-helix	trans	-57	-42.4	172.7	-65.7	-171.7	32.3	0	0	110.9	Y72 S102 S103 I110 L111	Y72-Q107 PolarHBondContact OH-NE2 3.47Å; S102-Q107 PolarHBondContact O-NE2 2.96Å; S103-Q107 PolarHBondContact O-N 3.44Å; S103-Q107 VanDerWaalsContact O-N 3.14Å; Q107-I110 PolarHBondContact O-N 3.24Å; Q107-L111 WeakPolarHBondContact O-CB 3.35Å; Q107-L111 VanDerWaalsContact O-CG 3.24Å; Q107-L111 WeakPolarHBondContact O-CG 3.38Å; Q107-L111 PolarHBondContact O-N 3.49Å
108	T	47.3	Very low	49.7	Very low	29 Å²	29	65.8 Å²	65.8	18%	0.178	35%	0.352	C	S	.	.	H	α-helix	trans	-72.8	-38.2	179.3	-53.2	0	0	0	0	112.5	D104 V105 L106 I110 L111 I112 I147	D104-T108 VanDerWaalsContact O-CB 3.31Å; D104-T108 WeakPolarHBondContact O-CB 3.42Å; D104-T108 PolarHBondContact O-N 3.12Å; D104-T108 PolarHBondContact O-OG1 3.19Å; V105-T108 PolarHBondContact O-N 3.3Å; L106-T108 VanDerWaalsContact C-N 3.25Å; L106-T108 PolarHBondContact O-N 2.75Å; T108-I110 VanDerWaalsContact C-N 3.27Å; T108-I110 PolarHBondContact O-N 3.31Å; T108-L111 PolarHBondContact O-N 2.78Å; T108-I112 HydrophobicContact CG2-CD1 3.64Å; T108-I112 HydrophobicContact CG2-CG1 4.07Å; T108-I112 WeakPolarHBondContact O-CB 3.16Å; T108-I112 VanDerWaalsContact O-CG1 3.26Å; T108-I112 WeakPolarHBondContact O-CG1 3.05Å; T108-I112 PolarHBondContact O-N 3.36Å; T108-I147 HydrophobicContact CG2-CD1 3.25Å
109	V	49.5	Very low	49.6	Very low	61 Å²	61	66.6 Å²	66.6	37%	0.37	36%	0.356	S	S	.	.	H	α-helix	trans	-59.1	-41.1	171.8	169.7	0	0	0	0	111	V105 L106 Q113	V105-V109 WeakPolarHBondContact O-CG2 3.09Å; V105-V109 PolarHBondContact O-N 2.83Å; L106-V109 PolarHBondContact O-N 2.85Å; V109-Q113 WeakPolarHBondContact O-CB 3.41Å; V109-Q113 VanDerWaalsContact O-CG 3.25Å; V109-Q113 WeakPolarHBondContact O-CG 3.2Å; V109-Q113 PolarHBondContact O-N 3.43Å
110	I	52.3	Low	49.4	Very low	60 Å²	60	64.7 Å²	64.7	31%	0.308	35%	0.345	S	S	.	.	H	α-helix	trans	-66.5	-43.8	174.8	-68.3	167.9	0	0	0	111.2	L106 Q107 T108 Q113 Q114	L106-I110 HydrophobicContact CD1-CD1 4.44Å; L106-I110 HydrophobicContact CG-CD1 4.02Å; L106-I110 WeakPolarHBondContact O-CG1 3.18Å; L106-I110 PolarHBondContact O-N 3.41Å; Q107-I110 PolarHBondContact O-N 3.24Å; T108-I110 VanDerWaalsContact C-N 3.27Å; T108-I110 PolarHBondContact O-N 3.31Å; I110-Q113 PolarHBondContact O-N 3.21Å; I110-Q114 HydrophobicContact CG2-CG 4.45Å; I110-Q114 WeakPolarHBondContact O-CB 3.28Å; I110-Q114 WeakPolarHBondContact O-CG 3.46Å; I110-Q114 PolarHBondContact O-N 3.48Å
111	L	50	Low	49.4	Very low	79 Å²	79	65.5 Å²	65.5	41%	0.414	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-38.6	177.5	-73.8	166.2	0	0	0	112.6	Q107 T108 Q114 K115	Q107-L111 WeakPolarHBondContact O-CB 3.35Å; Q107-L111 VanDerWaalsContact O-CG 3.24Å; Q107-L111 WeakPolarHBondContact O-CG 3.38Å; Q107-L111 PolarHBondContact O-N 3.49Å; T108-L111 PolarHBondContact O-N 2.78Å; L111-Q114 PolarHBondContact O-N 3.25Å; L111-K115 WeakPolarHBondContact O-CB 3.49Å; L111-K115 WeakPolarHBondContact O-CG 3.22Å; L111-K115 PolarHBondContact O-N 2.76Å
112	I	48.5	Very low	49.4	Very low	17 Å²	17	70.3 Å²	70.3	9%	0.087	37%	0.372	C	S	.	.	H	α-helix	trans	-64.9	-44.6	173.7	-71.4	164.8	0	0	0	109.7	T108 Q114 L116 I140 I144	T108-I112 HydrophobicContact CG2-CD1 3.64Å; T108-I112 HydrophobicContact CG2-CG1 4.07Å; T108-I112 WeakPolarHBondContact O-CB 3.16Å; T108-I112 VanDerWaalsContact O-CG1 3.26Å; T108-I112 WeakPolarHBondContact O-CG1 3.05Å; T108-I112 PolarHBondContact O-N 3.36Å; I112-Q114 PolarHBondContact O-N 3.37Å; I112-L116 HydrophobicContact CG2-CD1 3.86Å; I112-L116 HydrophobicContact CG2-CG 4.44Å; I112-L116 VanDerWaalsContact O-CB 3.29Å; I112-L116 WeakPolarHBondContact O-CB 3.43Å; I112-L116 VanDerWaalsContact O-CG 3.24Å; I112-L116 WeakPolarHBondContact O-CG 3.47Å; I112-L116 PolarHBondContact O-N 2.88Å; I112-I140 HydrophobicContact CD1-CG2 4.44Å; I112-I140 HydrophobicContact CG2-CD1 4.26Å; I112-I140 HydrophobicContact CG2-CG2 4.12Å; I112-I144 HydrophobicContact CD1-CD1 4.46Å; I112-I144 HydrophobicContact CD1-CG1 4.09Å
113	Q	51.3	Low	49.1	Very low	82 Å²	82	73.1 Å²	73.1	38%	0.383	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-40.8	175	-73.7	177.2	20.2	0	0	112.2	V109 I110 L116 V117	V109-Q113 WeakPolarHBondContact O-CB 3.41Å; V109-Q113 VanDerWaalsContact O-CG 3.25Å; V109-Q113 WeakPolarHBondContact O-CG 3.2Å; V109-Q113 PolarHBondContact O-N 3.43Å; I110-Q113 PolarHBondContact O-N 3.21Å; Q113-L116 PolarHBondContact O-N 3.46Å; Q113-V117 WeakPolarHBondContact O-CG2 2.94Å; Q113-V117 PolarHBondContact O-N 3.02Å
114	Q	50.6	Low	48.8	Very low	63 Å²	63	76.9 Å²	76.9	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-52.6	175.3	-74.2	173.7	1.4	0	0	111.6	I110 L111 I112 L116 V117 D118	I110-Q114 HydrophobicContact CG2-CG 4.45Å; I110-Q114 WeakPolarHBondContact O-CB 3.28Å; I110-Q114 WeakPolarHBondContact O-CG 3.46Å; I110-Q114 PolarHBondContact O-N 3.48Å; L111-Q114 PolarHBondContact O-N 3.25Å; I112-Q114 PolarHBondContact O-N 3.37Å; Q114-L116 VanDerWaalsContact C-N 3.26Å; Q114-L116 PolarHBondContact O-N 3.5Å; Q114-V117 PolarHBondContact O-N 3.18Å; Q114-V117 VanDerWaalsContact O-N 3.09Å; Q114-D118 PolarHBondContact O-N 2.87Å
115	K	50.1	Low	48.2	Very low	107 Å²	107	73 Å²	73	47%	0.465	38%	0.383	S	S	.	.	H	α-helix	trans	-50.8	-45.6	173.1	-77.4	178.6	-176.9	174.1	0	111.1	L111 L119 E143	L111-K115 WeakPolarHBondContact O-CB 3.49Å; L111-K115 WeakPolarHBondContact O-CG 3.22Å; L111-K115 PolarHBondContact O-N 2.76Å; K115-L119 VanDerWaalsContact O-CB 3.24Å; K115-L119 WeakPolarHBondContact O-CB 3.39Å; K115-L119 WeakPolarHBondContact O-CD1 3.41Å; K115-L119 WeakPolarHBondContact O-CG 3.25Å; K115-L119 PolarHBondContact O-N 3.19Å; K115-E143 IonicContact NZ-OE1 3.97Å; K115-E143 PolarHBondContact NZ-OE1 3.47Å; K115-E143 VanDerWaalsContact NZ-OE1 3.16Å; K115-E143 IonicContact NZ-OE2 3.63Å
116	L	49.1	Very low	47.7	Very low	39 Å²	39	76.4 Å²	76.4	20%	0.204	40%	0.395	C	S	.	.	H	α-helix	trans	-65.8	-41.9	178.7	-76.8	169.8	0	0	0	112.7	I112 Q113 Q114 L120 I136 I140	I112-L116 HydrophobicContact CG2-CD1 3.86Å; I112-L116 HydrophobicContact CG2-CG 4.44Å; I112-L116 VanDerWaalsContact O-CB 3.29Å; I112-L116 WeakPolarHBondContact O-CB 3.43Å; I112-L116 VanDerWaalsContact O-CG 3.24Å; I112-L116 WeakPolarHBondContact O-CG 3.47Å; I112-L116 PolarHBondContact O-N 2.88Å; Q113-L116 PolarHBondContact O-N 3.46Å; Q114-L116 VanDerWaalsContact C-N 3.26Å; Q114-L116 PolarHBondContact O-N 3.5Å; L116-L120 VanDerWaalsContact O-CB 3.23Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 WeakPolarHBondContact O-CD1 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.32Å; L116-L120 PolarHBondContact O-N 2.98Å; L116-I136 HydrophobicContact CD2-CG2 4.35Å; L116-I140 HydrophobicContact CD1-CD1 4.3Å; L116-I140 HydrophobicContact CD2-CD1 3.95Å; L116-I140 HydrophobicContact CG-CD1 4.24Å
117	V	49.1	Very low	47.2	Very low	91 Å²	91	77 Å²	77	55%	0.552	40%	0.404	S	S	*	.	H	α-helix	trans	-64.4	-46.6	175.5	167.5	0	0	0	0	110.7	Q113 Q114 L120 S121	Q113-V117 WeakPolarHBondContact O-CG2 2.94Å; Q113-V117 PolarHBondContact O-N 3.02Å; Q114-V117 PolarHBondContact O-N 3.18Å; Q114-V117 VanDerWaalsContact O-N 3.09Å; V117-L120 CarbonylContact O-C 3.57Å; V117-L120 PolarHBondContact O-N 2.88Å; V117-S121 VanDerWaalsContact O-CB 3.29Å; V117-S121 WeakPolarHBondContact O-CB 3.37Å; V117-S121 PolarHBondContact O-N 2.99Å
118	D	49.1	Very low	46.6	Very low	99 Å²	99	78.2 Å²	78.2	53%	0.529	41%	0.408	S	S	.	.	H	α-helix	trans	-60.7	-49.2	178.4	-71.5	-12.2	0	0	0	111	Q114 L120 S121 R122	Q114-D118 PolarHBondContact O-N 2.87Å; D118-L120 VanDerWaalsContact C-N 3.3Å; D118-L120 PolarHBondContact O-N 2.67Å; D118-S121 PolarHBondContact O-N 2.76Å; D118-S121 VanDerWaalsContact O-N 3.11Å; D118-S121 PolarHBondContact O-OG 3.24Å; D118-R122 PolarHBondContact O-N 2.65Å
119	L	46.5	Very low	46.2	Very low	84 Å²	84	83 Å²	83	44%	0.44	42%	0.423	S	S	.	.	H	α-helix	trans	-60.2	-36.6	175.8	-74.2	170	0	0	0	112.6	K115 S121 A125	K115-L119 VanDerWaalsContact O-CB 3.24Å; K115-L119 WeakPolarHBondContact O-CB 3.39Å; K115-L119 WeakPolarHBondContact O-CD1 3.41Å; K115-L119 WeakPolarHBondContact O-CG 3.25Å; K115-L119 PolarHBondContact O-N 3.19Å; L119-S121 VanDerWaalsContact C-N 3.35Å; L119-A125 WeakPolarHBondContact O-CB 3.49Å
120	L	44	Very low	45.6	Very low	70 Å²	70	84.7 Å²	84.7	37%	0.366	44%	0.437	S	S	.	.	H	α-helix	trans	-79.4	-14.2	177	-72.9	169.4	0	0	0	114.1	L116 V117 D118 R129 L132	L116-L120 VanDerWaalsContact O-CB 3.23Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 WeakPolarHBondContact O-CD1 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.32Å; L116-L120 PolarHBondContact O-N 2.98Å; V117-L120 CarbonylContact O-C 3.57Å; V117-L120 PolarHBondContact O-N 2.88Å; D118-L120 VanDerWaalsContact C-N 3.3Å; D118-L120 PolarHBondContact O-N 2.67Å; L120-R129 HydrophobicContact CD2-CG 4.38Å; L120-R129 PolarHBondContact O-NH2 3.07Å; L120-L132 HydrophobicContact CD2-CD1 3.66Å
121	S	46.1	Very low	44.9	Very low	82 Å²	82	87.8 Å²	87.8	57%	0.573	45%	0.454	S	S	*	.	H	α-helix	trans	-88.7	-23.7	-177.8	77.8	0	0	0	0	114.3	V117 D118 L119	V117-S121 VanDerWaalsContact O-CB 3.29Å; V117-S121 WeakPolarHBondContact O-CB 3.37Å; V117-S121 PolarHBondContact O-N 2.99Å; D118-S121 PolarHBondContact O-N 2.76Å; D118-S121 VanDerWaalsContact O-N 3.11Å; D118-S121 PolarHBondContact O-OG 3.24Å; L119-S121 VanDerWaalsContact C-N 3.35Å
122	R	49.4	Very low	44.2	Very low	136 Å²	136	85.6 Å²	85.6	51%	0.513	44%	0.442	S	S	.	.	S	Bend	trans	-61.2	146.5	177.9	-65.1	-177.9	-177.4	-157.3	1.4	110.8	D118 E124 A125	D118-R122 PolarHBondContact O-N 2.65Å; R122-E124 HydrophobicContact CB-CB 4.38Å; R122-E124 IonicContact NH1-OE2 3.89Å; R122-E124 PolarHBondContact O-N 3.36Å; R122-A125 HydrophobicContact CB-CB 4.43Å; R122-A125 WeakPolarHBondContact O-CA 3.48Å; R122-A125 WeakPolarHBondContact O-CB 3.42Å; R122-A125 PolarHBondContact O-N 3.45Å
123	P	44.2	Very low	43.7	Very low	113 Å²	113	88.3 Å²	88.3	73%	0.734	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-33.1	174.1	26.6	-33.9	0	0	0	111.8	A125 E126	P123-A125 PolarHBondContact O-N 3.44Å; P123-E126 WeakPolarHBondContact O-CB 3.2Å; P123-E126 WeakPolarHBondContact O-CG 3.46Å; P123-E126 PolarHBondContact O-N 3.01Å; P123-E126 VanDerWaalsContact O-N 3.1Å
124	E	46	Very low	42.9	Very low	115 Å²	115	87.5 Å²	87.5	54%	0.537	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32	169.4	-65.6	152.6	-171.4	0	0	112.3	R122 E126 S127 F128	R122-E124 HydrophobicContact CB-CB 4.38Å; R122-E124 IonicContact NH1-OE2 3.89Å; R122-E124 PolarHBondContact O-N 3.36Å; E124-E126 PolarHBondContact O-N 3.42Å; E124-S127 PolarHBondContact O-N 3.03Å; E124-S127 VanDerWaalsContact O-N 3.08Å; E124-S127 PolarHBondContact O-OG 3.21Å; E124-F128 HydrophobicContact CB-CE2 4.47Å; E124-F128 VanDerWaalsContact O-CD2 3.32Å; E124-F128 WeakPolarHBondContact O-CD2 3.37Å
125	A	38.6	Very low	41.9	Very low	3 Å²	3	89.1 Å²	89.1	3%	0.025	48%	0.478	C	S	.	.	H	α-helix	trans	-62.4	-17.4	179.6	0	0	0	0	0	113	L119 R122 P123 S127 F128 R129	L119-A125 WeakPolarHBondContact O-CB 3.49Å; R122-A125 HydrophobicContact CB-CB 4.43Å; R122-A125 WeakPolarHBondContact O-CA 3.48Å; R122-A125 WeakPolarHBondContact O-CB 3.42Å; R122-A125 PolarHBondContact O-N 3.45Å; P123-A125 PolarHBondContact O-N 3.44Å; A125-S127 VanDerWaalsContact C-N 3.28Å; A125-S127 PolarHBondContact O-N 3.45Å; A125-F128 CarbonylContact O-C 3.58Å; A125-F128 PolarHBondContact O-N 3.04Å; A125-R129 WeakPolarHBondContact O-CB 3.42Å; A125-R129 WeakPolarHBondContact O-CG 3.13Å; A125-R129 PolarHBondContact O-N 2.65Å
126	E	37.7	Very low	41.2	Very low	131 Å²	131	86.9 Å²	86.9	61%	0.612	47%	0.471	S	S	*	.	H	α-helix	trans	-68.8	-27.3	176.2	-54.2	-143	130.4	0	0	112.5	P123 E124 R129	P123-E126 WeakPolarHBondContact O-CB 3.2Å; P123-E126 WeakPolarHBondContact O-CG 3.46Å; P123-E126 PolarHBondContact O-N 3.01Å; P123-E126 VanDerWaalsContact O-N 3.1Å; E124-E126 PolarHBondContact O-N 3.42Å; E126-R129 IonicContact OE1-CZ 3.55Å; E126-R129 IonicContact OE1-NH1 2.67Å; E126-R129 PolarHBondContact OE1-NH1 2.82Å; E126-R129 IonicContact OE1-NH2 3.87Å
127	S	41.3	Very low	40.7	Very low	70 Å²	70	88.9 Å²	88.9	49%	0.49	48%	0.476	S	S	.	.	H	α-helix	trans	-79.4	-35.7	168.4	71.8	0	0	0	0	111.9	E124 A125 S130	E124-S127 PolarHBondContact O-N 3.03Å; E124-S127 VanDerWaalsContact O-N 3.08Å; E124-S127 PolarHBondContact O-OG 3.21Å; A125-S127 VanDerWaalsContact C-N 3.28Å; A125-S127 PolarHBondContact O-N 3.45Å; S127-S130 PolarHBondContact O-OG 3.08Å
128	F	38.3	Very low	40.3	Very low	112 Å²	112	90.1 Å²	90.1	49%	0.491	48%	0.476	S	S	.	.	H	α-helix	trans	-75.5	-21.2	177.7	-65.2	-71.8	0	0	0	114	E124 A125 S130 L131 L132	E124-F128 HydrophobicContact CB-CE2 4.47Å; E124-F128 VanDerWaalsContact O-CD2 3.32Å; E124-F128 WeakPolarHBondContact O-CD2 3.37Å; A125-F128 CarbonylContact O-C 3.58Å; A125-F128 PolarHBondContact O-N 3.04Å; F128-S130 PolarHBondContact O-N 2.96Å; F128-S130 VanDerWaalsContact O-N 3.09Å; F128-L131 CarbonylContact O-C 3.57Å; F128-L131 WeakPolarHBondContact O-CA 3.39Å; F128-L131 PolarHBondContact O-N 2.88Å; F128-L132 HydrophobicContact CB-CD1 4.29Å; F128-L132 HydrophobicContact CB-CG 4.49Å; F128-L132 VanDerWaalsContact O-CB 3.32Å; F128-L132 WeakPolarHBondContact O-CB 3.32Å; F128-L132 WeakPolarHBondContact O-CD1 3.47Å; F128-L132 VanDerWaalsContact O-CG 3.27Å; F128-L132 WeakPolarHBondContact O-CG 3.03Å; F128-L132 PolarHBondContact O-N 3.26Å
129	R	38.1	Very low	40.1	Very low	129 Å²	129	89.7 Å²	89.7	49%	0.487	47%	0.474	S	S	.	.	H	α-helix	trans	-59.2	-20.9	177.4	-86.7	170.3	-161.5	162.3	11.2	114	L120 A125 E126	L120-R129 HydrophobicContact CD2-CG 4.38Å; L120-R129 PolarHBondContact O-NH2 3.07Å; A125-R129 WeakPolarHBondContact O-CB 3.42Å; A125-R129 WeakPolarHBondContact O-CG 3.13Å; A125-R129 PolarHBondContact O-N 2.65Å; E126-R129 IonicContact OE1-CZ 3.55Å; E126-R129 IonicContact OE1-NH1 2.67Å; E126-R129 PolarHBondContact OE1-NH1 2.82Å; E126-R129 IonicContact OE1-NH2 3.87Å
130	S	38.3	Very low	40	Very low	97 Å²	97	87.1 Å²	87.1	68%	0.678	46%	0.46	S	S	*	.	H	α-helix	trans	-91.6	-25.9	170.2	56.3	0	0	0	0	113.6	S127 F128	S127-S130 PolarHBondContact O-OG 3.08Å; F128-S130 PolarHBondContact O-N 2.96Å; F128-S130 VanDerWaalsContact O-N 3.09Å
131	L	36	Very low	40	Very low	124 Å²	124	85 Å²	85	65%	0.649	46%	0.455	S	S	*	.	H	α-helix	trans	-96.9	4.9	-178.6	-71.2	164.4	0	0	0	114.3	F128 P133	F128-L131 CarbonylContact O-C 3.57Å; F128-L131 WeakPolarHBondContact O-CA 3.39Å; F128-L131 PolarHBondContact O-N 2.88Å; L131-P133 WeakPolarHBondContact O-CD 3.47Å
132	L	36.4	Very low	40.5	Very low	34 Å²	34	85.9 Å²	85.9	18%	0.178	45%	0.448	C	S	.	.			trans	-87.3	56.2	178.4	-91.1	163.1	0	0	0	115.8	Y38 L120 F128 I136	Y38-L132 PolarHBondContact OH-O 3.1Å; L120-L132 HydrophobicContact CD2-CD1 3.66Å; F128-L132 HydrophobicContact CB-CD1 4.29Å; F128-L132 HydrophobicContact CB-CG 4.49Å; F128-L132 VanDerWaalsContact O-CB 3.32Å; F128-L132 WeakPolarHBondContact O-CB 3.32Å; F128-L132 WeakPolarHBondContact O-CD1 3.47Å; F128-L132 VanDerWaalsContact O-CG 3.27Å; F128-L132 WeakPolarHBondContact O-CG 3.03Å; F128-L132 PolarHBondContact O-N 3.26Å; L132-I136 HydrophobicContact CD2-CB 4.35Å; L132-I136 HydrophobicContact CD2-CD1 3.6Å
133	P	36.9	Very low	40.5	Very low	73 Å²	73	82.7 Å²	82.7	47%	0.474	44%	0.44	S	S	.	.	S	Bend	trans	-135.1	24.6	163.1	44.1	-31.7	0	0	0	116.9	Y38 L131	Y38-P133 HydrophobicContact CE1-CB 3.88Å; L131-P133 WeakPolarHBondContact O-CD 3.47Å
134	S	35	Very low	40.7	Very low	65 Å²	65	80.9 Å²	80.9	46%	0.455	42%	0.423	S	S	.	.	S	Bend	trans	-143.7	-78.7	168.6	57.8	0	0	0	0	114.6	I136 Y137 E138	S134-I136 PolarHBondContact O-N 3.45Å; S134-Y137 WeakPolarHBondContact O-CA 3.18Å; S134-Y137 WeakPolarHBondContact O-CB 3.36Å; S134-Y137 PolarHBondContact O-N 3.38Å; S134-E138 PolarHBondContact O-N 3.47Å
135	V	30.7	Very low	41	Very low	98 Å²	98	82 Å²	82	59%	0.594	43%	0.428	S	S	*	.	H	α-helix	trans	-48	-53.6	-163.5	-173.8	0	0	0	0	113.8	Y137 E138 D139	V135-Y137 PolarHBondContact O-N 2.89Å; V135-Y137 VanDerWaalsContact O-N 3.13Å; V135-E138 PolarHBondContact O-N 2.9Å; V135-E138 VanDerWaalsContact O-N 3.07Å; V135-D139 PolarHBondContact O-N 3.45Å
136	I	35.4	Very low	42	Very low	60 Å²	60	85.6 Å²	85.6	31%	0.308	45%	0.45	S	S	.	.	H	α-helix	trans	-63.6	-20.5	-178.6	-73.3	163.4	0	0	0	113.1	L116 L132 S134 I140	L116-I136 HydrophobicContact CD2-CG2 4.35Å; L132-I136 HydrophobicContact CD2-CB 4.35Å; L132-I136 HydrophobicContact CD2-CD1 3.6Å; S134-I136 PolarHBondContact O-N 3.45Å; I136-I140 HydrophobicContact CG2-CD1 3.71Å; I136-I140 HydrophobicContact CG2-CG1 4.48Å; I136-I140 WeakPolarHBondContact O-CB 3.49Å; I136-I140 WeakPolarHBondContact O-CD1 3.19Å; I136-I140 VanDerWaalsContact O-CG1 3.24Å; I136-I140 WeakPolarHBondContact O-CG1 3.1Å; I136-I140 PolarHBondContact O-N 3.25Å
137	Y	37.8	Very low	42.6	Very low	80 Å²	80	81 Å²	81	31%	0.314	43%	0.429	S	S	.	.	H	α-helix	trans	-82.4	-26.5	175.6	-65	-76.8	0	0	0	113.4	Y38 S134 V135 G141	Y38-Y137 HydrophobicContact CD2-CD1 4.5Å; Y38-Y137 HydrophobicContact CD2-CE1 4.33Å; Y38-Y137 HydrophobicContact CE2-CD1 4.21Å; Y38-Y137 HydrophobicContact CE2-CD2 4.16Å; Y38-Y137 AromaticContact CE2-CE1 3.68Å; Y38-Y137 HydrophobicContact CE2-CE1 3.68Å; Y38-Y137 AromaticContact CE2-CE2 3.61Å; Y38-Y137 HydrophobicContact CE2-CE2 3.61Å; Y38-Y137 HydrophobicContact CE2-CG 4.43Å; Y38-Y137 AromaticContact CE2-CZ 3.34Å; Y38-Y137 AromaticContact CZ-CE2 3.82Å; Y38-Y137 AromaticContact CZ-CZ 3.85Å; Y38-Y137 PolarHBondContact OH-OH 3.26Å; Y38-Y137 VanDerWaalsContact OH-OH 3.12Å; S134-Y137 WeakPolarHBondContact O-CA 3.18Å; S134-Y137 WeakPolarHBondContact O-CB 3.36Å; S134-Y137 PolarHBondContact O-N 3.38Å; V135-Y137 PolarHBondContact O-N 2.89Å; V135-Y137 VanDerWaalsContact O-N 3.13Å; Y137-G141 WeakPolarHBondContact O-CA 3.25Å; Y137-G141 PolarHBondContact O-N 2.88Å
138	E	41.3	Very low	43	Very low	118 Å²	118	81.6 Å²	81.6	55%	0.551	43%	0.426	S	S	*	.	H	α-helix	trans	-69.9	-44	172.4	-70.9	-173	-153.2	0	0	111.3	S134 V135 G141 K142	S134-E138 PolarHBondContact O-N 3.47Å; V135-E138 PolarHBondContact O-N 2.9Å; V135-E138 VanDerWaalsContact O-N 3.07Å; E138-G141 PolarHBondContact O-N 3.45Å; E138-K142 WeakPolarHBondContact O-CD 3.31Å; E138-K142 WeakPolarHBondContact O-CG 3.42Å; E138-K142 PolarHBondContact O-N 3.13Å; E138-K142 IonicContact OE2-NZ 3.92Å; E138-K142 PolarHBondContact OE2-NZ 2.81Å
139	D	43	Very low	44.1	Very low	90 Å²	90	78.3 Å²	78.3	48%	0.481	42%	0.42	S	S	.	.	H	α-helix	trans	-69.5	-43.3	-178.5	-62.7	-24.5	0	0	0	111.7	V135 G141 K142 E143	V135-D139 PolarHBondContact O-N 3.45Å; D139-G141 VanDerWaalsContact C-N 3.29Å; D139-G141 PolarHBondContact O-N 3.28Å; D139-K142 PolarHBondContact O-N 3.44Å; D139-K142 IonicContact OD1-NZ 3.62Å; D139-E143 WeakPolarHBondContact O-CB 3.41Å; D139-E143 PolarHBondContact O-N 3.06Å
140	I	45.5	Very low	45.2	Very low	30 Å²	30	75.9 Å²	75.9	15%	0.154	42%	0.416	C	S	.	.	H	α-helix	trans	-64.9	-35.2	172.4	-68	172.7	0	0	0	111	I112 L116 I136 E143 I144	I112-I140 HydrophobicContact CD1-CG2 4.44Å; I112-I140 HydrophobicContact CG2-CD1 4.26Å; I112-I140 HydrophobicContact CG2-CG2 4.12Å; L116-I140 HydrophobicContact CD1-CD1 4.3Å; L116-I140 HydrophobicContact CD2-CD1 3.95Å; L116-I140 HydrophobicContact CG-CD1 4.24Å; I136-I140 HydrophobicContact CG2-CD1 3.71Å; I136-I140 HydrophobicContact CG2-CG1 4.48Å; I136-I140 WeakPolarHBondContact O-CB 3.49Å; I136-I140 WeakPolarHBondContact O-CD1 3.19Å; I136-I140 VanDerWaalsContact O-CG1 3.24Å; I136-I140 WeakPolarHBondContact O-CG1 3.1Å; I136-I140 PolarHBondContact O-N 3.25Å; I140-E143 PolarHBondContact O-N 2.91Å; I140-I144 HydrophobicContact CG2-CD1 3.72Å; I140-I144 HydrophobicContact CG2-CG1 4.37Å; I140-I144 WeakPolarHBondContact O-CB 3.18Å; I140-I144 VanDerWaalsContact O-CG1 3.25Å; I140-I144 WeakPolarHBondContact O-CG1 3.34Å; I140-I144 PolarHBondContact O-N 2.99Å
141	G	44.7	Very low	45.7	Very low	25 Å²	25	73 Å²	73	26%	0.258	40%	0.398	S	S	.	.	H	α-helix	trans	-60.4	-52.2	173.7	0	0	0	0	0	111.9	Y137 E138 D139 E143 I144 E145	Y137-G141 WeakPolarHBondContact O-CA 3.25Å; Y137-G141 PolarHBondContact O-N 2.88Å; E138-G141 PolarHBondContact O-N 3.45Å; D139-G141 VanDerWaalsContact C-N 3.29Å; D139-G141 PolarHBondContact O-N 3.28Å; G141-E143 PolarHBondContact O-N 2.93Å; G141-I144 PolarHBondContact O-N 3.38Å; G141-E145 WeakPolarHBondContact O-CG 3.19Å; G141-E145 PolarHBondContact O-N 2.97Å
142	K	55.8	Low	46.4	Very low	100 Å²	100	73.4 Å²	73.4	44%	0.435	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-41.6	176.1	-65.5	157.6	-162.9	160.7	0	112	E138 D139 E145 T146	E138-K142 WeakPolarHBondContact O-CD 3.31Å; E138-K142 WeakPolarHBondContact O-CG 3.42Å; E138-K142 PolarHBondContact O-N 3.13Å; E138-K142 IonicContact OE2-NZ 3.92Å; E138-K142 PolarHBondContact OE2-NZ 2.81Å; D139-K142 PolarHBondContact O-N 3.44Å; D139-K142 IonicContact OD1-NZ 3.62Å; K142-E145 PolarHBondContact O-N 3.21Å; K142-T146 VanDerWaalsContact O-CB 3.28Å; K142-T146 WeakPolarHBondContact O-CB 3.48Å; K142-T146 PolarHBondContact O-N 3.45Å; K142-T146 PolarHBondContact O-OG1 3.48Å
143	E	48.8	Very low	47.7	Very low	70 Å²	70	78.2 Å²	78.2	33%	0.327	41%	0.414	S	S	.	.	H	α-helix	trans	-61.8	-45.5	176.6	-162.6	171.7	-147.7	0	0	110.4	K115 D139 I140 G141 I147	K115-E143 IonicContact NZ-OE1 3.97Å; K115-E143 PolarHBondContact NZ-OE1 3.47Å; K115-E143 VanDerWaalsContact NZ-OE1 3.16Å; K115-E143 IonicContact NZ-OE2 3.63Å; D139-E143 WeakPolarHBondContact O-CB 3.41Å; D139-E143 PolarHBondContact O-N 3.06Å; I140-E143 PolarHBondContact O-N 2.91Å; G141-E143 PolarHBondContact O-N 2.93Å; E143-I147 HydrophobicContact CG-CD1 4.32Å; E143-I147 WeakPolarHBondContact O-CD1 3.49Å; E143-I147 VanDerWaalsContact O-CG1 3.25Å; E143-I147 WeakPolarHBondContact O-CG1 3.34Å; E143-I147 PolarHBondContact O-N 2.84Å; E143-I147 VanDerWaalsContact O-N 3.1Å
144	I	48	Very low	48.6	Very low	75 Å²	75	81 Å²	81	39%	0.385	42%	0.419	S	S	.	.	H	α-helix	trans	-65.6	-46.2	176.1	-70.4	168.7	0	0	0	112.2	I112 I140 G141 T146 I147 I148	I112-I144 HydrophobicContact CD1-CD1 4.46Å; I112-I144 HydrophobicContact CD1-CG1 4.09Å; I140-I144 HydrophobicContact CG2-CD1 3.72Å; I140-I144 HydrophobicContact CG2-CG1 4.37Å; I140-I144 WeakPolarHBondContact O-CB 3.18Å; I140-I144 VanDerWaalsContact O-CG1 3.25Å; I140-I144 WeakPolarHBondContact O-CG1 3.34Å; I140-I144 PolarHBondContact O-N 2.99Å; G141-I144 PolarHBondContact O-N 3.38Å; I144-T146 VanDerWaalsContact C-N 3.34Å; I144-T146 PolarHBondContact O-N 3.34Å; I144-I147 PolarHBondContact O-N 2.81Å; I144-I148 HydrophobicContact CG2-CD1 3.73Å; I144-I148 HydrophobicContact CG2-CG1 4.44Å; I144-I148 WeakPolarHBondContact O-CG1 3.28Å; I144-I148 PolarHBondContact O-N 3.26Å
145	E	53.5	Low	49.3	Very low	139 Å²	139	82.9 Å²	82.9	65%	0.65	43%	0.427	S	S	*	.	H	α-helix	trans	-61.3	-41.9	178.2	-75.6	-179.6	170.8	0	0	111.8	G141 K142 I147 I148 A149	G141-E145 WeakPolarHBondContact O-CG 3.19Å; G141-E145 PolarHBondContact O-N 2.97Å; K142-E145 PolarHBondContact O-N 3.21Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.49Å; E145-I148 PolarHBondContact O-N 2.77Å; E145-A149 WeakPolarHBondContact O-CB 3.33Å; E145-A149 PolarHBondContact O-N 3.43Å
146	T	59.2	Low	50.2	Low	77 Å²	77	84.1 Å²	84.1	47%	0.472	43%	0.431	S	S	.	.	H	α-helix	trans	-60.9	-42.4	175.7	-59	0	0	0	0	111.4	K142 I144 A149 N150	K142-T146 VanDerWaalsContact O-CB 3.28Å; K142-T146 WeakPolarHBondContact O-CB 3.48Å; K142-T146 PolarHBondContact O-N 3.45Å; K142-T146 PolarHBondContact O-OG1 3.48Å; I144-T146 VanDerWaalsContact C-N 3.34Å; I144-T146 PolarHBondContact O-N 3.34Å; T146-A149 PolarHBondContact O-N 2.72Å; T146-N150 WeakPolarHBondContact O-CB 3.35Å; T146-N150 VanDerWaalsContact O-CG 3.25Å; T146-N150 PolarHBondContact O-N 3.2Å; T146-N150 PolarHBondContact O-ND2 2.97Å
147	I	50.7	Low	50.9	Low	35 Å²	35	87 Å²	87	18%	0.179	45%	0.446	C	S	.	.	H	α-helix	trans	-68.4	-41.5	178.1	-70.3	162.9	0	0	0	111.2	V105 T108 E143 I144 E145 A149 N150 A151	V105-I147 HydrophobicContact CG2-CG2 3.94Å; T108-I147 HydrophobicContact CG2-CD1 3.25Å; E143-I147 HydrophobicContact CG-CD1 4.32Å; E143-I147 WeakPolarHBondContact O-CD1 3.49Å; E143-I147 VanDerWaalsContact O-CG1 3.25Å; E143-I147 WeakPolarHBondContact O-CG1 3.34Å; E143-I147 PolarHBondContact O-N 2.84Å; E143-I147 VanDerWaalsContact O-N 3.1Å; I144-I147 PolarHBondContact O-N 2.81Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 3.49Å; I147-A149 VanDerWaalsContact C-N 3.34Å; I147-A149 PolarHBondContact O-N 2.88Å; I147-N150 PolarHBondContact O-N 3.31Å; I147-A151 WeakPolarHBondContact O-CB 3.42Å; I147-A151 PolarHBondContact O-N 3.46Å
148	I	49.8	Very low	51.1	Low	82 Å²	82	88 Å²	88	42%	0.421	47%	0.465	S	S	.	.	H	α-helix	trans	-63.5	-40.1	174.7	-69.2	168.5	0	0	0	110.9	I144 E145 K152	I144-I148 HydrophobicContact CG2-CD1 3.73Å; I144-I148 HydrophobicContact CG2-CG1 4.44Å; I144-I148 WeakPolarHBondContact O-CG1 3.28Å; I144-I148 PolarHBondContact O-N 3.26Å; E145-I148 PolarHBondContact O-N 2.77Å; I148-K152 HydrophobicContact CG2-CD 4.25Å; I148-K152 WeakPolarHBondContact O-CB 3.42Å; I148-K152 VanDerWaalsContact O-CG 3.29Å; I148-K152 WeakPolarHBondContact O-CG 3.28Å; I148-K152 PolarHBondContact O-N 2.83Å
149	A	61.8	Low	51.1	Low	44 Å²	44	87.3 Å²	87.3	36%	0.364	47%	0.474	S	S	.	.	H	α-helix	trans	-64.5	-43.2	175.4	0	0	0	0	0	111.9	E145 T146 I147 K152 K153	E145-A149 WeakPolarHBondContact O-CB 3.33Å; E145-A149 PolarHBondContact O-N 3.43Å; T146-A149 PolarHBondContact O-N 2.72Å; I147-A149 VanDerWaalsContact C-N 3.34Å; I147-A149 PolarHBondContact O-N 2.88Å; A149-K152 PolarHBondContact O-N 3.45Å; A149-K153 WeakPolarHBondContact O-CG 3.42Å; A149-K153 PolarHBondContact O-N 3Å
150	N	61.2	Low	51	Low	78 Å²	78	91.3 Å²	91.3	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-69.3	-37	177.7	-71.5	-21.7	0	0	0	112.6	T146 I147 K153 K154	T146-N150 WeakPolarHBondContact O-CB 3.35Å; T146-N150 VanDerWaalsContact O-CG 3.25Å; T146-N150 PolarHBondContact O-N 3.2Å; T146-N150 PolarHBondContact O-ND2 2.97Å; I147-N150 PolarHBondContact O-N 3.31Å; N150-K153 PolarHBondContact O-N 2.87Å; N150-K154 PolarHBondContact O-N 3.33Å
151	A	47.8	Very low	50.4	Low	36 Å²	36	96 Å²	96	30%	0.298	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-44.6	172.6	0	0	0	0	0	111.6	I147 K153 K154 V155	I147-A151 WeakPolarHBondContact O-CB 3.42Å; I147-A151 PolarHBondContact O-N 3.46Å; A151-K153 VanDerWaalsContact C-N 3.34Å; A151-K153 PolarHBondContact O-N 3.38Å; A151-K154 PolarHBondContact O-N 2.92Å; A151-V155 WeakPolarHBondContact O-CG2 3.44Å; A151-V155 PolarHBondContact O-N 3.39Å
152	K	51.7	Low	49.9	Very low	132 Å²	132	103.8 Å²	103.8	57%	0.574	55%	0.553	S	S	*	*	H	α-helix	trans	-59.1	-42	173.2	-74.3	171.4	-180	178	0	112.2	I148 A149 V155 N156	I148-K152 HydrophobicContact CG2-CD 4.25Å; I148-K152 WeakPolarHBondContact O-CB 3.42Å; I148-K152 VanDerWaalsContact O-CG 3.29Å; I148-K152 WeakPolarHBondContact O-CG 3.28Å; I148-K152 PolarHBondContact O-N 2.83Å; A149-K152 PolarHBondContact O-N 3.45Å; K152-V155 PolarHBondContact O-N 2.71Å; K152-N156 WeakPolarHBondContact O-CB 3.49Å; K152-N156 PolarHBondContact O-N 3.49Å; K152-N156 PolarHBondContact O-OD1 2.81Å
153	K	62.7	Low	48.9	Very low	136 Å²	136	106.4 Å²	106.4	59%	0.591	57%	0.572	S	S	*	*	H	α-helix	trans	-62	-44.6	174.2	-72.6	176.9	-179.6	-179.9	0	112.2	A149 N150 A151 V155 N157	A149-K153 WeakPolarHBondContact O-CG 3.42Å; A149-K153 PolarHBondContact O-N 3Å; N150-K153 PolarHBondContact O-N 2.87Å; A151-K153 VanDerWaalsContact C-N 3.34Å; A151-K153 PolarHBondContact O-N 3.38Å; K153-V155 VanDerWaalsContact C-N 3.34Å; K153-V155 PolarHBondContact O-N 3.28Å; K153-N157 VanDerWaalsContact O-CB 3.31Å; K153-N157 WeakPolarHBondContact O-CB 3.2Å; K153-N157 PolarHBondContact O-N 2.84Å; K153-N157 PolarHBondContact O-OD1 3.46Å
154	K	56.4	Low	48.2	Very low	132 Å²	132	112.8 Å²	112.8	57%	0.574	60%	0.602	S	S	*	*	H	α-helix	trans	-59.5	-42.2	175.9	-75.3	-176.3	176.9	-173.9	0	112.1	D104 N150 A151	D104-K154 IonicContact OD2-NZ 2.7Å; D104-K154 PolarHBondContact OD2-NZ 2.97Å; N150-K154 PolarHBondContact O-N 3.33Å; A151-K154 PolarHBondContact O-N 2.92Å
155	V	48.7	Very low	47.5	Very low	104 Å²	104	118.4 Å²	118.4	63%	0.63	62%	0.624	S	S	*	*	H	α-helix	trans	-69.5	-50	178.7	172.9	0	0	0	0	111.5	A151 K152 K153 N157 S158	A151-V155 WeakPolarHBondContact O-CG2 3.44Å; A151-V155 PolarHBondContact O-N 3.39Å; K152-V155 PolarHBondContact O-N 2.71Å; K153-V155 VanDerWaalsContact C-N 3.34Å; K153-V155 PolarHBondContact O-N 3.28Å; V155-N157 VanDerWaalsContact C-N 3.28Å; V155-N157 PolarHBondContact O-N 3.32Å; V155-S158 VanDerWaalsContact O-CB 3.24Å; V155-S158 WeakPolarHBondContact O-CB 3.29Å; V155-S158 PolarHBondContact O-N 3.24Å
156	N	49.5	Very low	46.5	Very low	124 Å²	124	117.6 Å²	117.6	66%	0.663	63%	0.633	S	S	*	*	H	α-helix	trans	-69.1	-23.8	-175.9	-73.4	29.1	0	0	0	113.6	K152	K152-N156 WeakPolarHBondContact O-CB 3.49Å; K152-N156 PolarHBondContact O-N 3.49Å; K152-N156 PolarHBondContact O-OD1 2.81Å
157	N	50.1	Low	45.5	Very low	119 Å²	119	118.7 Å²	118.7	64%	0.636	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	9.3	177.5	-65.6	31.7	0	0	0	112.9	K153 V155 S159	K153-N157 VanDerWaalsContact O-CB 3.31Å; K153-N157 WeakPolarHBondContact O-CB 3.2Å; K153-N157 PolarHBondContact O-N 2.84Å; K153-N157 PolarHBondContact O-OD1 3.46Å; V155-N157 VanDerWaalsContact C-N 3.28Å; V155-N157 PolarHBondContact O-N 3.32Å; N157-S159 PolarHBondContact O-N 2.91Å; N157-S159 VanDerWaalsContact O-N 3.14Å
158	S	43.1	Very low	44.6	Very low	101 Å²	101	124.5 Å²	124.5	71%	0.706	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	0	-174.2	-167.7	0	0	0	0	114.9	V155	V155-S158 VanDerWaalsContact O-CB 3.24Å; V155-S158 WeakPolarHBondContact O-CB 3.29Å; V155-S158 PolarHBondContact O-N 3.24Å
159	S	41.5	Very low	43.9	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-4.8	-176.8	54.9	0	0	0	0	115.2	N157	N157-S159 PolarHBondContact O-N 2.91Å; N157-S159 VanDerWaalsContact O-N 3.14Å
160	E	39.4	Very low	42.7	Very low	173 Å²	173	129.9 Å²	129.9	81%	0.808	72%	0.721	S	S	*	*	S	Bend	trans	-131.7	60.6	-173.5	-65.8	-170.2	156.4	0	0	112.8
161	C	33.8	Very low	41.6	Very low	129 Å²	129	131.3 Å²	131.3	87%	0.872	74%	0.737	S	S	*	*			trans	-146.1	21	171	-119.3	0	0	0	0	116.8
162	E	34.8	Very low	40.9	Very low	188 Å²	188	138.3 Å²	138.3	88%	0.879	76%	0.763	S	S	*	*			trans	-105.1	90.8	163.5	-71.8	-160.9	143.3	0	0	110.7
163	N	35	Very low	40.2	Very low	155 Å²	155	135.7 Å²	135.7	83%	0.829	77%	0.773	S	S	*	*			trans	-170	90.4	150.9	-106.1	-64.4	0	0	0	110.3	K165	N163-K165 PolarHBondContact O-N 3.45Å
164	Q	32.9	Very low	38.7	Very low	205 Å²	205	135.9 Å²	135.9	96%	0.958	78%	0.781	S	S	*	*			trans	-72.4	109	166.1	-69.6	-177.7	-1.6	0	0	109
165	K	34.7	Very low	37.8	Very low	193 Å²	193	136.4 Å²	136.4	84%	0.839	80%	0.795	S	S	*	*			trans	-144.4	119.2	166.4	-142.1	166.5	-172.1	173.4	0	112.6	N163	N163-K165 PolarHBondContact O-N 3.45Å
166	S	32.6	Very low	37	Very low	122 Å²	122	139.6 Å²	139.6	85%	0.853	80%	0.803	S	S	*	*			trans	-61.1	132.3	-177.3	50.2	0	0	0	0	114.6
167	A	36.6	Very low	36.4	Very low	100 Å²	100	140 Å²	140	83%	0.826	81%	0.81	S	S	*	*			trans	-157.4	155.9	155.8	0	0	0	0	0	109.9
168	D	33.7	Very low	35.6	Very low	157 Å²	157	140.3 Å²	140.3	84%	0.84	82%	0.816	S	S	*	*			trans	-81.4	157.3	-169.9	-83.5	-64.9	0	0	0	115.8
169	P	34.5	Very low	35.1	Very low	123 Å²	123	139 Å²	139	80%	0.799	82%	0.818	S	S	*	*			trans	-89.5	117	176.7	34.2	-31.9	0	0	0	113.1
170	S	36.2	Very low	34.7	Very low	115 Å²	115	141 Å²	141	80%	0.804	82%	0.82	S	S	*	*			trans	-157.3	161.8	165.7	66	0	0	0	0	112.9
171	S	37.6	Very low	34.3	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	82%	0.817	S	S	*	*			trans	64.1	108.2	-170.1	-153	0	0	0	0	113.6
172	Q	34.6	Very low	34.4	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	81%	0.811	S	S	*	*				53.5	128.4	64.6	-66.7	-166.5	-74.1	0	0	114.8
173	G	35.5	Very low	34.1	Very low	76 Å²	76	140.6 Å²	140.6	78%	0.784	81%	0.81	S	S	*	*			trans	173.2	84.2	-179.3	0	0	0	0	0	110.2
174	D	32.7	Very low	34	Very low	141 Å²	141	139 Å²	139	75%	0.754	81%	0.806	S	S	*	*			trans	-74	137.4	-175.9	-70.6	-73.8	0	0	0	113.8
175	V	37.3	Very low	33.9	Very low	142 Å²	142	134.3 Å²	134.3	86%	0.861	79%	0.794	S	S	*	*			trans	-143.2	118	153.4	-175.6	0	0	0	0	109.6
176	Q	30.3	Very low	33.5	Very low	172 Å²	172	130.9 Å²	130.9	80%	0.804	79%	0.794	S	S	*	*			trans	-111.2	129.5	167.3	-70.2	-175.6	1.7	0	0	110.8
177	V	36.9	Very low	33.5	Very low	132 Å²	132	130.5 Å²	130.5	80%	0.8	79%	0.787	S	S	*	*			trans	-154.3	97.2	145.1	-174.1	0	0	0	0	105.1
178	V	33.6	Very low	33	Very low	126 Å²	126	131.5 Å²	131.5	76%	0.764	79%	0.788	S	S	*	*				63	121.5	86.9	179.5	0	0	0	0	113.3
179	G	33.9	Very low	33.2	Very low	73 Å²	73	129.6 Å²	129.6	75%	0.753	78%	0.782	S	S	*	*			trans	171.1	54.5	-176.5	0	0	0	0	0	115.7
180	D	33.3	Very low	33.3	Very low	146 Å²	146	126.1 Å²	126.1	78%	0.781	77%	0.769	S	S	*	*			trans	24.9	138.5	159.7	-55.4	-21.4	0	0	0	124.2
181	H	29.8	Very low	33.2	Very low	162 Å²	162	132.1 Å²	132.1	75%	0.75	78%	0.775	S	S	*	*			trans	63.3	110.4	150.3	-103.4	-91.4	0	0	0	121.1
182	E	35.1	Very low	33.7	Very low	157 Å²	157	133.2 Å²	133.2	73%	0.734	77%	0.766	S	S	*	*				-177.1	138.6	102.5	-91.2	-64.2	88.1	0	0	109.9	V184	E182-V184 PolarHBondContact O-N 2.94Å
183	D	29.1	Very low	34.6	Very low	163 Å²	163	127 Å²	127	87%	0.872	74%	0.743	S	S	*	*			trans	-73.8	110.1	-173.8	-89.7	-53.2	0	0	0	113.2
184	V	32.6	Very low	35.1	Very low	121 Å²	121	129.8 Å²	129.8	73%	0.733	74%	0.738	S	S	*	*			trans	-116.2	124.6	170.5	-177.7	0	0	0	0	109.7	E182 S186	E182-V184 PolarHBondContact O-N 2.94Å; V184-S186 PolarHBondContact O-N 2.86Å; V184-S186 VanDerWaalsContact O-N 3.09Å
185	P	31.7	Very low	36.4	Very low	108 Å²	108	129 Å²	129	70%	0.701	73%	0.733	S	S	*	*			trans	-67.9	112.4	-174	25.7	-34.1	0	0	0	112.1	T187	P185-T187 VanDerWaalsContact C-N 3.32Å; P185-T187 PolarHBondContact O-N 2.86Å
186	S	26.5	Very low	37.5	Very low	121 Å²	121	126.9 Å²	126.9	85%	0.846	71%	0.714	S	S	*	*			trans	-61.4	85.1	173.5	-76	0	0	0	0	111.9	V184 S188	V184-S186 PolarHBondContact O-N 2.86Å; V184-S186 VanDerWaalsContact O-N 3.09Å; S186-S188 PolarHBondContact O-N 3.49Å
187	T	32	Very low	38.4	Very low	114 Å²	114	125.3 Å²	125.3	70%	0.699	70%	0.701	S	S	*	*			trans	-75	92.1	177.9	41.1	0	0	0	0	110.8	P185 T189	P185-T187 VanDerWaalsContact C-N 3.32Å; P185-T187 PolarHBondContact O-N 2.86Å; T187-T189 PolarHBondContact O-N 3.04Å
188	S	27	Very low	39.1	Very low	121 Å²	121	127 Å²	127	85%	0.846	69%	0.693	S	S	*	*			trans	-66.1	66.4	-179.6	50.8	0	0	0	0	113.6	S186 G190	S186-S188 PolarHBondContact O-N 3.49Å; S188-G190 PolarHBondContact O-N 3Å
189	T	36.2	Very low	40.5	Very low	116 Å²	116	125.5 Å²	125.5	71%	0.712	68%	0.678	S	S	*	*			trans	-79	72.9	172	49.8	0	0	0	0	110.3	T187	T187-T189 PolarHBondContact O-N 3.04Å
190	G	36.6	Very low	41.6	Very low	51 Å²	51	124.9 Å²	124.9	53%	0.526	67%	0.665	S	S	.	*			trans	-50	159.3	176.9	0	0	0	0	0	113.2	S188 K192	S188-G190 PolarHBondContact O-N 3Å; G190-K192 PolarHBondContact O-N 3.5Å
191	Y	34.2	Very low	42.3	Very low	241 Å²	241	122.9 Å²	122.9	95%	0.945	65%	0.654	S	S	*	*			trans	-62	67	-168.9	-90.7	-100.4	0	0	0	114.9	S193	Y191-S193 PolarHBondContact O-N 3.5Å
192	K	48.7	Very low	43.9	Very low	132 Å²	132	120.8 Å²	120.8	57%	0.574	64%	0.643	S	S	*	*			trans	-59.3	120.9	161.1	-70.7	-153.4	175.1	-161.2	0	108.5	G190 E196 R197	G190-K192 PolarHBondContact O-N 3.5Å; K192-E196 VanDerWaalsContact CA-OE2 3.27Å; K192-E196 WeakPolarHBondContact CA-OE2 3.21Å; K192-E196 WeakPolarHBondContact CB-OE2 3.44Å; K192-E196 WeakPolarHBondContact CG-OE2 3.41Å; K192-R197 PolarHBondContact O-NE 3.01Å
193	S	53.4	Low	44.9	Very low	53 Å²	53	121.5 Å²	121.5	37%	0.371	64%	0.639	S	S	.	*			trans	-58.6	155.1	-169.3	70	0	0	0	0	111.8	Y191 L195 E196 R197	Y191-S193 PolarHBondContact O-N 3.5Å; S193-L195 PolarHBondContact O-N 3.14Å; S193-L195 VanDerWaalsContact O-N 3.1Å; S193-E196 PolarHBondContact N-OE2 3.46Å; S193-E196 PolarHBondContact O-N 2.94Å; S193-E196 PolarHBondContact OG-N 2.87Å; S193-R197 PolarHBondContact O-N 2.97Å
194	I	47.4	Very low	46.1	Very low	133 Å²	133	119.7 Å²	119.7	68%	0.682	62%	0.623	S	S	*	*	H	α-helix	trans	-57.2	-27.5	174.5	-63.6	169.7	0	0	0	110.7	R198	I194-R198 WeakPolarHBondContact O-CB 3.35Å; I194-R198 WeakPolarHBondContact O-CG 3.36Å; I194-R198 PolarHBondContact O-N 3.14Å
195	L	59	Low	46.7	Very low	124 Å²	124	116.4 Å²	116.4	65%	0.649	61%	0.609	S	S	*	*	H	α-helix	trans	-69.9	-48.1	173.4	-63.5	173.6	0	0	0	112.5	S193 R197 R198 E199	S193-L195 PolarHBondContact O-N 3.14Å; S193-L195 VanDerWaalsContact O-N 3.1Å; L195-R197 VanDerWaalsContact C-N 3.35Å; L195-R197 PolarHBondContact O-N 3.28Å; L195-R198 WeakPolarHBondContact O-CB 3.27Å; L195-R198 PolarHBondContact O-N 3.46Å; L195-E199 WeakPolarHBondContact O-CG 3.38Å; L195-E199 PolarHBondContact O-N 2.95Å
196	E	59.6	Low	47.4	Very low	98 Å²	98	119.1 Å²	119.1	46%	0.458	61%	0.607	S	S	.	*	H	α-helix	trans	-59.5	-43.7	174.4	-80	-168.7	107.2	0	0	112.1	K192 S193 R198 E199 A200	K192-E196 VanDerWaalsContact CA-OE2 3.27Å; K192-E196 WeakPolarHBondContact CA-OE2 3.21Å; K192-E196 WeakPolarHBondContact CB-OE2 3.44Å; K192-E196 WeakPolarHBondContact CG-OE2 3.41Å; S193-E196 PolarHBondContact N-OE2 3.46Å; S193-E196 PolarHBondContact O-N 2.94Å; S193-E196 PolarHBondContact OG-N 2.87Å; E196-R198 VanDerWaalsContact C-N 3.32Å; E196-R198 PolarHBondContact O-N 3.31Å; E196-E199 PolarHBondContact O-N 3.26Å; E196-A200 WeakPolarHBondContact O-CB 3.44Å; E196-A200 PolarHBondContact O-N 3.34Å
197	R	49.2	Very low	48.4	Very low	140 Å²	140	117.5 Å²	117.5	53%	0.528	60%	0.595	S	S	.	*	H	α-helix	trans	-62.6	-40.4	177.2	-64.1	-173.9	-170	-156.1	-2.2	111	K192 S193 L195 L201	K192-R197 PolarHBondContact O-NE 3.01Å; S193-R197 PolarHBondContact O-N 2.97Å; L195-R197 VanDerWaalsContact C-N 3.35Å; L195-R197 PolarHBondContact O-N 3.28Å; R197-L201 WeakPolarHBondContact O-CB 3.29Å; R197-L201 PolarHBondContact O-N 3.49Å
198	R	52.7	Low	48.7	Very low	166 Å²	166	120.3 Å²	120.3	63%	0.626	59%	0.594	S	S	*	*	H	α-helix	trans	-63.9	-41	173.2	-85.5	178.1	162.5	176.9	-3.5	112.9	I194 L195 E196 K202	I194-R198 WeakPolarHBondContact O-CB 3.35Å; I194-R198 WeakPolarHBondContact O-CG 3.36Å; I194-R198 PolarHBondContact O-N 3.14Å; L195-R198 WeakPolarHBondContact O-CB 3.27Å; L195-R198 PolarHBondContact O-N 3.46Å; E196-R198 VanDerWaalsContact C-N 3.32Å; E196-R198 PolarHBondContact O-N 3.31Å; R198-K202 WeakPolarHBondContact O-CB 3.42Å; R198-K202 WeakPolarHBondContact O-CG 3.41Å; R198-K202 PolarHBondContact O-N 3.15Å
199	E	62.4	Low	49.3	Very low	95 Å²	95	119.8 Å²	119.8	44%	0.444	58%	0.581	S	S	.	*	H	α-helix	trans	-62.8	-47.5	175.1	-77.9	-104.4	132.4	0	0	111.8	L195 E196 L201 K202 R203	L195-E199 WeakPolarHBondContact O-CG 3.38Å; L195-E199 PolarHBondContact O-N 2.95Å; E196-E199 PolarHBondContact O-N 3.26Å; E199-L201 PolarHBondContact O-N 2.85Å; E199-K202 PolarHBondContact O-N 2.66Å; E199-R203 VanDerWaalsContact O-CG 3.32Å; E199-R203 WeakPolarHBondContact O-CG 3.18Å; E199-R203 PolarHBondContact O-N 3.16Å; E199-R203 IonicContact OE2-CZ 3.52Å; E199-R203 IonicContact OE2-NE 3.97Å; E199-R203 IonicContact OE2-NH2 3.66Å; E199-R203 PolarHBondContact OE2-NH2 3.36Å
200	A	57.9	Low	49.4	Very low	60 Å²	60	119.3 Å²	119.3	50%	0.496	58%	0.58	S	S	.	*	H	α-helix	trans	-60.7	-45.9	178.2	0	0	0	0	0	111.8	E196 R203 F204	E196-A200 WeakPolarHBondContact O-CB 3.44Å; E196-A200 PolarHBondContact O-N 3.34Å; A200-R203 PolarHBondContact O-N 3.33Å; A200-F204 WeakPolarHBondContact O-CB 3.42Å; A200-F204 PolarHBondContact O-N 3.44Å
201	L	47.8	Very low	49.6	Very low	104 Å²	104	122.4 Å²	122.4	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-62.4	-40.8	175.3	-86.7	159	0	0	0	112.7	R197 E199 F204 A205	R197-L201 WeakPolarHBondContact O-CB 3.29Å; R197-L201 PolarHBondContact O-N 3.49Å; E199-L201 PolarHBondContact O-N 2.85Å; L201-F204 PolarHBondContact O-N 3Å; L201-A205 WeakPolarHBondContact O-CB 3.48Å; L201-A205 PolarHBondContact O-N 3.49Å
202	K	63.2	Low	49.7	Very low	118 Å²	118	122.1 Å²	122.1	51%	0.513	59%	0.591	S	S	.	*	H	α-helix	trans	-58.9	-51.6	172.4	-79.7	178	179	-178.3	0	111.2	R198 E199 F204 A205 Y206	R198-K202 WeakPolarHBondContact O-CB 3.42Å; R198-K202 WeakPolarHBondContact O-CG 3.41Å; R198-K202 PolarHBondContact O-N 3.15Å; E199-K202 PolarHBondContact O-N 2.66Å; K202-F204 VanDerWaalsContact C-N 3.31Å; K202-F204 PolarHBondContact O-N 3.47Å; K202-A205 PolarHBondContact O-N 2.78Å; K202-Y206 HydrophobicContact CB-CD2 4.46Å; K202-Y206 HydrophobicContact CB-CE2 4.39Å; K202-Y206 WeakPolarHBondContact O-CD2 3.39Å; K202-Y206 PolarHBondContact O-N 2.7Å
203	R	56.9	Low	49.2	Very low	172 Å²	172	121.7 Å²	121.7	65%	0.649	60%	0.601	S	S	*	*	H	α-helix	trans	-59.2	-42.6	-178.5	-67.2	172.8	-164.2	-168.8	5.4	111.2	E199 A200 Y206 S207	E199-R203 VanDerWaalsContact O-CG 3.32Å; E199-R203 WeakPolarHBondContact O-CG 3.18Å; E199-R203 PolarHBondContact O-N 3.16Å; E199-R203 IonicContact OE2-CZ 3.52Å; E199-R203 IonicContact OE2-NE 3.97Å; E199-R203 IonicContact OE2-NH2 3.66Å; E199-R203 PolarHBondContact OE2-NH2 3.36Å; A200-R203 PolarHBondContact O-N 3.33Å; R203-Y206 PolarHBondContact O-N 3.29Å; R203-S207 PolarHBondContact O-N 3.23Å; R203-S207 PolarHBondContact O-OG 3.06Å
204	F	53.2	Low	48.3	Very low	125 Å²	125	129.1 Å²	129.1	55%	0.548	62%	0.621	S	S	.	*	H	α-helix	trans	-63.5	-46.2	175.3	-176	-98.2	0	0	0	113	A200 L201 K202 Y206 S207 Y208	A200-F204 WeakPolarHBondContact O-CB 3.42Å; A200-F204 PolarHBondContact O-N 3.44Å; L201-F204 PolarHBondContact O-N 3Å; K202-F204 VanDerWaalsContact C-N 3.31Å; K202-F204 PolarHBondContact O-N 3.47Å; F204-Y206 VanDerWaalsContact C-N 3.33Å; F204-Y206 PolarHBondContact O-N 3.38Å; F204-S207 WeakPolarHBondContact CA-OG 3.31Å; F204-S207 PolarHBondContact O-N 2.95Å; F204-S207 PolarHBondContact O-OG 3.34Å; F204-Y208 HydrophobicContact CE1-CD2 4.22Å; F204-Y208 HydrophobicContact CE1-CE2 4.5Å; F204-Y208 HydrophobicContact CE2-CD2 4.04Å; F204-Y208 AromaticContact CE2-CE2 3.78Å; F204-Y208 HydrophobicContact CE2-CE2 3.78Å; F204-Y208 AromaticContact CZ-CD2 3.86Å; F204-Y208 HydrophobicContact CZ-CD2 3.86Å; F204-Y208 AromaticContact CZ-CE2 3.71Å; F204-Y208 HydrophobicContact CZ-CE2 3.71Å; F204-Y208 PolarHBondContact O-N 2.99Å
205	A	45.6	Very low	47.9	Very low	52 Å²	52	126.5 Å²	126.5	43%	0.43	62%	0.615	S	S	.	*	H	α-helix	trans	-61.8	-39.7	177.9	0	0	0	0	0	112.3	L201 K202 Y208	L201-A205 WeakPolarHBondContact O-CB 3.48Å; L201-A205 PolarHBondContact O-N 3.49Å; K202-A205 PolarHBondContact O-N 2.78Å; A205-Y208 PolarHBondContact O-N 3.44Å
206	Y	45.1	Very low	47.1	Very low	166 Å²	166	131.5 Å²	131.5	65%	0.651	63%	0.625	S	S	*	*	H	α-helix	trans	-71.7	-32.1	176.2	-73.3	-62.3	0	0	0	113.4	K202 R203 F204 Y208 I209	K202-Y206 HydrophobicContact CB-CD2 4.46Å; K202-Y206 HydrophobicContact CB-CE2 4.39Å; K202-Y206 WeakPolarHBondContact O-CD2 3.39Å; K202-Y206 PolarHBondContact O-N 2.7Å; R203-Y206 PolarHBondContact O-N 3.29Å; F204-Y206 VanDerWaalsContact C-N 3.33Å; F204-Y206 PolarHBondContact O-N 3.38Å; Y206-Y208 PolarHBondContact O-N 3.41Å; Y206-I209 HydrophobicContact CD1-CD1 3.74Å; Y206-I209 HydrophobicContact CE1-CD1 4.26Å; Y206-I209 PolarHBondContact O-N 3.23Å
207	S	47.7	Very low	46	Very low	87 Å²	87	138.1 Å²	138.1	61%	0.608	65%	0.646	S	S	*	*	H	α-helix	trans	-67.9	-20.6	175.3	58.8	0	0	0	0	114.3	R203 F204	R203-S207 PolarHBondContact O-N 3.23Å; R203-S207 PolarHBondContact O-OG 3.06Å; F204-S207 WeakPolarHBondContact CA-OG 3.31Å; F204-S207 PolarHBondContact O-N 2.95Å; F204-S207 PolarHBondContact O-OG 3.34Å
208	Y	39.9	Very low	45.5	Very low	173 Å²	173	134 Å²	134	68%	0.678	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	1	-179.2	-98.9	-80.1	0	0	0	115	F204 A205 Y206 P210	F204-Y208 HydrophobicContact CE1-CD2 4.22Å; F204-Y208 HydrophobicContact CE1-CE2 4.5Å; F204-Y208 HydrophobicContact CE2-CD2 4.04Å; F204-Y208 AromaticContact CE2-CE2 3.78Å; F204-Y208 HydrophobicContact CE2-CE2 3.78Å; F204-Y208 AromaticContact CZ-CD2 3.86Å; F204-Y208 HydrophobicContact CZ-CD2 3.86Å; F204-Y208 AromaticContact CZ-CE2 3.71Å; F204-Y208 HydrophobicContact CZ-CE2 3.71Å; F204-Y208 PolarHBondContact O-N 2.99Å; A205-Y208 PolarHBondContact O-N 3.44Å; Y206-Y208 PolarHBondContact O-N 3.41Å; Y208-P210 WeakPolarHBondContact O-CD 3.24Å
209	I	38.9	Very low	44.9	Very low	109 Å²	109	129.9 Å²	129.9	56%	0.559	64%	0.637	S	S	*	*	S	Bend	trans	-71.8	113.4	171.4	-58.1	-178.6	0	0	0	108.2	Y206 S211	Y206-I209 HydrophobicContact CD1-CD1 3.74Å; Y206-I209 HydrophobicContact CE1-CD1 4.26Å; Y206-I209 PolarHBondContact O-N 3.23Å; I209-S211 PolarHBondContact O-N 3.33Å
210	P	37.9	Very low	43.8	Very low	107 Å²	107	133.9 Å²	133.9	70%	0.695	66%	0.655	S	S	*	*			trans	-64.6	126.4	174	-15.6	31.7	0	0	0	107.9	Y208 R212	Y208-P210 WeakPolarHBondContact O-CD 3.24Å; P210-R212 PolarHBondContact O-N 2.99Å; P210-R212 VanDerWaalsContact O-N 3.12Å
211	S	40.6	Very low	43.2	Very low	116 Å²	116	139 Å²	139	81%	0.811	67%	0.669	S	S	*	*			trans	-51.2	123.7	175.3	47.2	0	0	0	0	108.7	I209	I209-S211 PolarHBondContact O-N 3.33Å
212	R	37.4	Very low	43.2	Very low	235 Å²	235	140.9 Å²	140.9	89%	0.887	68%	0.675	S	S	*	*			trans	-43.1	128	-163.5	-76.3	-176.9	176.9	178.6	0.4	110.6	P210 R214	P210-R212 PolarHBondContact O-N 2.99Å; P210-R212 VanDerWaalsContact O-N 3.12Å; R212-R214 PolarHBondContact O-N 3.41Å
213	P	37.4	Very low	42.4	Very low	123 Å²	123	141.5 Å²	141.5	80%	0.799	68%	0.684	S	S	*	*			trans	-50.8	115.3	167.8	-25	33.7	0	0	0	108.3	S215	P213-S215 PolarHBondContact O-N 3.38Å
214	R	34.5	Very low	42	Very low	208 Å²	208	141.5 Å²	141.5	79%	0.785	69%	0.689	S	S	*	*			trans	-52.1	136.4	178.6	-91.9	-169.2	173.5	-147.9	1.6	107.9	R212 R216	R212-R214 PolarHBondContact O-N 3.41Å; R214-R216 PolarHBondContact O-N 3.26Å
215	S	38.6	Very low	41.7	Very low	79 Å²	79	146.8 Å²	146.8	55%	0.552	71%	0.705	S	S	*	*			trans	-53.3	115.3	172.7	178.8	0	0	0	0	108.9	P213 W217	P213-S215 PolarHBondContact O-N 3.38Å; S215-W217 WeakPolarHBondContact CB-O 3.07Å; S215-W217 PolarHBondContact O-N 3.18Å; S215-W217 WeakPolarHBondContact OG-CB 3.38Å; S215-W217 PolarHBondContact OG-N 2.88Å; S215-W217 PolarHBondContact OG-O 3.42Å
216	R	41.9	Very low	41.7	Very low	228 Å²	228	149.6 Å²	149.6	86%	0.86	72%	0.721	S	S	*	*	S	Bend	trans	-68	-15.4	170.7	-95.5	-170.6	172	-150	-1.5	112	R214 G218	R214-R216 PolarHBondContact O-N 3.26Å; R216-G218 PolarHBondContact O-N 3.31Å
217	W	37.2	Very low	41.7	Very low	237 Å²	237	146 Å²	146	90%	0.898	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	107.3	164.9	-61.7	70.8	0	0	0	107.9	S215	S215-W217 WeakPolarHBondContact CB-O 3.07Å; S215-W217 PolarHBondContact O-N 3.18Å; S215-W217 WeakPolarHBondContact OG-CB 3.38Å; S215-W217 PolarHBondContact OG-N 2.88Å; S215-W217 PolarHBondContact OG-O 3.42Å
218	G	38.9	Very low	41.6	Very low	53 Å²	53	149.6 Å²	149.6	55%	0.546	73%	0.733	S	S	.	*	T	Hydrogen-bonded Turn	trans	138	-20.5	-178.4	0	0	0	0	0	115	R216 E220	R216-G218 PolarHBondContact O-N 3.31Å; G218-E220 PolarHBondContact O-N 2.88Å
219	I	39	Very low	42	Very low	81 Å²	81	151 Å²	151	42%	0.415	74%	0.742	S	S	.	*	H	α-helix	trans	-82.6	-10.9	-171.1	-61.1	177.2	0	0	0	113.2
220	E	40.7	Very low	42.2	Very low	178 Å²	178	153.9 Å²	153.9	83%	0.832	75%	0.754	S	S	*	*	H	α-helix	trans	-84.1	-4.7	178.4	-68.1	-168.1	133	0	0	114.9	G218	G218-E220 PolarHBondContact O-N 2.88Å
221	E	45.3	Very low	42.3	Very low	168 Å²	168	155 Å²	155	79%	0.785	76%	0.759	S	S	*	*	H	α-helix	trans	-104.5	-27.3	178.3	-68.1	-162.3	114.9	0	0	115	N223	E221-N223 PolarHBondContact O-N 2.82Å
222	E	47.6	Very low	42.5	Very low	143 Å²	143	155.6 Å²	155.6	67%	0.668	76%	0.76	S	S	*	*	H	α-helix	trans	-69.2	-33.5	176.8	-71.2	-169.8	116.5	0	0	112.4	K224 R225	E222-K224 PolarHBondContact O-N 3.4Å; E222-R225 PolarHBondContact O-N 2.93Å
223	N	47.1	Very low	42.9	Very low	131 Å²	131	153.2 Å²	153.2	70%	0.701	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	19.9	179.8	-81.5	-16.5	0	0	0	114.9	E221	E221-N223 PolarHBondContact O-N 2.82Å
224	K	47	Very low	43.1	Very low	173 Å²	173	154.2 Å²	154.2	75%	0.752	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	11.8	175.7	-78	-177.4	176.6	172.4	0	114.7	E222	E222-K224 PolarHBondContact O-N 3.4Å
225	R	46.6	Very low	43.5	Very low	236 Å²	236	148.9 Å²	148.9	89%	0.891	76%	0.76	S	S	*	*	S	Bend	trans	-123.2	-0.5	178	-75.8	-172.8	169.7	-171.9	-2.4	115.9	E222 S227	E222-R225 PolarHBondContact O-N 2.93Å; R225-S227 VanDerWaalsContact C-N 3.26Å; R225-S227 PolarHBondContact O-N 3.29Å
226	S	47.1	Very low	43.6	Very low	110 Å²	110	150.9 Å²	150.9	77%	0.769	77%	0.774	S	S	*	*			trans	-88.1	40.6	176.2	48	0	0	0	0	113.7
227	S	43.7	Very low	43.9	Very low	91 Å²	91	145.7 Å²	145.7	64%	0.636	77%	0.77	S	S	*	*			trans	-137.1	70.3	179.2	64.1	0	0	0	0	111.8	R225	R225-S227 VanDerWaalsContact C-N 3.26Å; R225-S227 PolarHBondContact O-N 3.29Å
228	N	46.4	Very low	44.2	Very low	163 Å²	163	141.1 Å²	141.1	87%	0.872	77%	0.769	S	S	*	*			trans	171.8	104	151.3	-90.9	-13.6	0	0	0	110.8
229	K	49.2	Very low	44.4	Very low	201 Å²	201	143.2 Å²	143.2	87%	0.874	78%	0.775	S	S	*	*			trans	-163.9	146.1	142.5	-117.2	174.9	-178.9	-177.9	0	110.9
230	E	43.1	Very low	44.5	Very low	171 Å²	171	144 Å²	144	80%	0.799	79%	0.788	S	S	*	*			trans	-77.1	160.9	-166.7	-57.4	100.5	125.7	0	0	114.7
231	T	40	Very low	44.6	Very low	130 Å²	130	143.3 Å²	143.3	80%	0.798	79%	0.789	S	S	*	*			trans	-94.7	146.3	166.8	47.6	0	0	0	0	111.5
232	P	44.9	Very low	44.6	Very low	129 Å²	129	143.2 Å²	143.2	84%	0.838	79%	0.788	S	S	*	*			trans	-109	167.7	143.5	21	-5.1	0	0	0	111.3
233	K	44.1	Very low	44.3	Very low	184 Å²	184	144.4 Å²	144.4	80%	0.8	79%	0.794	S	S	*	*			trans	-111.3	175.9	-167.9	-62.7	174.5	178.7	173.9	0	112.8
234	T	42	Very low	44	Very low	144 Å²	144	143.4 Å²	143.4	88%	0.883	79%	0.793	S	S	*	*			trans	71	147.9	159.4	28	0	0	0	0	116.9
235	A	42.3	Very low	44	Very low	96 Å²	96	142.8 Å²	142.8	79%	0.793	79%	0.79	S	S	*	*			cis	-138.8	-166.7	7.7	0	0	0	0	0	113.8
236	S	41.5	Very low	43.8	Very low	122 Å²	122	138.4 Å²	138.4	85%	0.853	78%	0.779	S	S	*	*			trans	-101.8	171.9	-158.6	-50.5	0	0	0	0	116.4
237	P	48.6	Very low	43.6	Very low	119 Å²	119	140.9 Å²	140.9	77%	0.773	78%	0.783	S	S	*	*			trans	-121.2	166.2	-167.6	42.8	-32.1	0	0	0	117.7
238	T	43.3	Very low	43.3	Very low	141 Å²	141	141.5 Å²	141.5	87%	0.865	79%	0.787	S	S	*	*			trans	-172.2	162.2	161.5	28.1	0	0	0	0	109.5
239	S	43.4	Very low	43.1	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	78%	0.779	S	S	*	*			cis	-167.1	166.9	-20.8	57.2	0	0	0	0	112.3
240	S	40.3	Very low	42.8	Very low	98 Å²	98	137.1 Å²	137.1	69%	0.685	78%	0.779	S	S	*	*			trans	59.5	115.2	142.9	59.3	0	0	0	0	124.4
241	L	42.5	Very low	42.8	Very low	162 Å²	162	137 Å²	137	85%	0.848	78%	0.779	S	S	*	*			trans	176	116.8	130.2	-115.5	66.7	0	0	0	106.4
242	E	45.9	Very low	42.9	Very low	167 Å²	167	136.2 Å²	136.2	78%	0.78	77%	0.769	S	S	*	*				85.7	147.7	61.9	-77.1	-142.6	147.2	0	0	116.6
243	Q	42.4	Very low	42.5	Very low	167 Å²	167	135.3 Å²	135.3	78%	0.78	76%	0.762	S	S	*	*			trans	73.6	141.7	167.7	-67.8	173.8	33.8	0	0	119.5
244	T	40.8	Very low	41.8	Very low	110 Å²	110	132.4 Å²	132.4	68%	0.675	76%	0.763	S	S	*	*			cis	-169.7	147.8	-37.3	5.3	0	0	0	0	110.8
245	K	46.2	Very low	41.6	Very low	160 Å²	160	129.3 Å²	129.3	70%	0.696	75%	0.752	S	S	*	*			trans	63.3	168.3	157.1	-65.1	175.3	154.6	-73.7	0	116.2
246	E	42.8	Very low	41.2	Very low	144 Å²	144	130.5 Å²	130.5	67%	0.673	75%	0.752	S	S	*	*			cis	-167.8	168.6	-27.1	-102.8	156.5	-170.9	0	0	107.1
247	I	42.1	Very low	41.1	Very low	163 Å²	163	131.9 Å²	131.9	84%	0.836	75%	0.749	S	S	*	*			cis	-135.5	-108.2	6.4	-163.5	161.2	0	0	0	113.6
248	S	38.6	Very low	40.6	Very low	103 Å²	103	133.1 Å²	133.1	72%	0.72	75%	0.749	S	S	*	*			trans	-154.3	151.1	-166.6	59.6	0	0	0	0	117.4
249	A	41	Very low	40.3	Very low	87 Å²	87	136.2 Å²	136.2	72%	0.719	75%	0.75	S	S	*	*			trans	-164.9	125.9	146	0	0	0	0	0	106.8
250	E	44.2	Very low	40.1	Very low	186 Å²	186	136.8 Å²	136.8	87%	0.869	75%	0.752	S	S	*	*				59.2	116.2	75.1	-63.7	-175.7	169.2	0	0	112.1
251	E	42.5	Very low	39.9	Very low	169 Å²	169	141.3 Å²	141.3	79%	0.79	76%	0.759	S	S	*	*			cis	-142.5	-161	7.2	-49.3	-175.9	107.1	0	0	111.1
252	N	41.6	Very low	39.5	Very low	112 Å²	112	140.3 Å²	140.3	60%	0.599	76%	0.755	S	S	*	*			cis	-152.2	123.5	-6.1	-141.7	-32.4	0	0	0	113.9
253	T	36.7	Very low	39.1	Very low	111 Å²	111	142.3 Å²	142.3	68%	0.681	76%	0.755	S	S	*	*			trans	29.9	116.8	137.2	-44.6	0	0	0	0	124.4
254	C	30.2	Very low	38.6	Very low	123 Å²	123	139.8 Å²	139.8	83%	0.831	76%	0.756	S	S	*	*			trans	67.9	154.6	141.1	-74.1	0	0	0	0	122.5
255	A	36	Very low	38.6	Very low	78 Å²	78	139.4 Å²	139.4	65%	0.645	76%	0.758	S	S	*	*			cis	-157.6	155.9	-11.5	0	0	0	0	0	112.1
256	P	34.1	Very low	38.2	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	77%	0.769	S	S	*	*			trans	-98.8	127.6	171.8	35.3	-29	0	0	0	112.8
257	L	39.2	Very low	37.5	Very low	150 Å²	150	140.5 Å²	140.5	79%	0.785	78%	0.777	S	S	*	*			trans	-138.5	111.6	175.8	-74.7	175.1	0	0	0	114.7
258	N	38.3	Very low	37.2	Very low	145 Å²	145	139.5 Å²	139.5	78%	0.775	77%	0.772	S	S	*	*			trans	49.5	113.4	135.4	-57.2	-17.3	0	0	0	121.4
259	K	38.2	Very low	37	Very low	207 Å²	207	146.3 Å²	146.3	90%	0.9	78%	0.782	S	S	*	*			trans	-60.8	146.3	139.7	-69.9	-178.8	-179.3	176.8	0	108.4
260	P	37.8	Very low	36.9	Very low	108 Å²	108	152.7 Å²	152.7	70%	0.701	79%	0.787	S	S	*	*				-147	158.2	66.5	39.5	-22	0	0	0	117
261	F	36	Very low	36.7	Very low	193 Å²	193	148.1 Å²	148.1	85%	0.846	78%	0.776	S	S	*	*			trans	-149.4	107.4	144.5	-108.4	-68.6	0	0	0	110.2
262	D	34.9	Very low	36.1	Very low	142 Å²	142	146.1 Å²	146.1	76%	0.759	78%	0.781	S	S	*	*			trans	-84.6	134.9	164.6	-171.9	-5.9	0	0	0	108.9	S264	D262-S264 PolarHBondContact OD1-N 3.37Å
263	R	38.4	Very low	36	Very low	208 Å²	208	151.8 Å²	151.8	79%	0.785	79%	0.794	S	S	*	*			trans	-143.7	75.4	169.3	-80.9	-162	171.1	-168.3	-1.7	110.4	S265	R263-S265 PolarHBondContact O-N 3.14Å; R263-S265 VanDerWaalsContact O-N 3.16Å; R263-S265 PolarHBondContact O-OG 3.25Å
264	S	31.6	Very low	36.2	Very low	115 Å²	115	154.8 Å²	154.8	80%	0.804	80%	0.804	S	S	*	*			trans	-48.8	122.5	168.3	79.9	0	0	0	0	111.3	D262	D262-S264 PolarHBondContact OD1-N 3.37Å
265	S	40.4	Very low	36.6	Very low	102 Å²	102	160.1 Å²	160.1	71%	0.713	81%	0.807	S	S	*	*			trans	-154.9	87.8	173.9	44.3	0	0	0	0	111.9	R263	R263-S265 PolarHBondContact O-N 3.14Å; R263-S265 VanDerWaalsContact O-N 3.16Å; R263-S265 PolarHBondContact O-OG 3.25Å
266	R	37.1	Very low	36.6	Very low	245 Å²	245	163.9 Å²	163.9	93%	0.925	82%	0.816	S	S	*	*			trans	41.7	93.6	148.8	-61.3	179.8	177.3	-173.4	-2.3	116.4
267	G	28.3	Very low	36.8	Very low	82 Å²	82	170.4 Å²	170.4	85%	0.845	83%	0.825	S	S	*	*			trans	-59.1	143.6	177.3	0	0	0	0	0	114.7
268	I	35.6	Very low	36.7	Very low	141 Å²	141	175.2 Å²	175.2	72%	0.723	83%	0.832	S	S	*	*			trans	-96.6	103	176.5	-65.1	177	0	0	0	109.7	R270	I268-R270 HydrophobicContact CG2-CB 4.45Å; I268-R270 HydrophobicContact CG2-CG 3.83Å; I268-R270 PolarHBondContact O-N 3.27Å
269	R	34	Very low	36.6	Very low	247 Å²	247	172.5 Å²	172.5	93%	0.932	83%	0.83	S	S	*	*			trans	-65.9	99.1	164.9	-80.9	-179.3	168.2	-179.2	-3.4	109.8
270	R	40.6	Very low	36.6	Very low	220 Å²	220	169.1 Å²	169.1	83%	0.83	83%	0.826	S	S	*	*			trans	-127.1	73	162	-77.2	-179	-179.4	-175.1	1.2	109.6	I268	I268-R270 HydrophobicContact CG2-CB 4.45Å; I268-R270 HydrophobicContact CG2-CG 3.83Å; I268-R270 PolarHBondContact O-N 3.27Å
271	S	38.6	Very low	36.5	Very low	91 Å²	91	172.4 Å²	172.4	64%	0.636	84%	0.837	S	S	*	*				85.4	92	89.6	67.4	0	0	0	0	112.4	R273	S271-R273 PolarHBondContact O-N 3.2Å
272	S	30.1	Very low	36.5	Very low	127 Å²	127	169.3 Å²	169.3	89%	0.888	83%	0.834	S	S	*	*			trans	-27.4	93.9	157.4	35.5	0	0	0	0	114.8
273	R	39.7	Very low	36.4	Very low	231 Å²	231	168.3 Å²	168.3	87%	0.872	84%	0.839	S	S	*	*			trans	-148.5	24.6	171.9	-125.3	173.6	-169.3	174.9	3.6	116.2	S271	S271-R273 PolarHBondContact O-N 3.2Å
274	I	40.8	Very low	36.5	Very low	174 Å²	174	170.3 Å²	170.3	89%	0.892	85%	0.846	S	S	*	*			trans	-125.4	60	170.8	-44.1	-178	0	0	0	110.6
275	R	38.8	Very low	36.8	Very low	235 Å²	235	176.1 Å²	176.1	89%	0.887	85%	0.85	S	S	*	*			trans	-131.1	161.1	152.9	-74.2	-174	176.3	172.9	-1.5	106.8
276	N	35.7	Very low	36.6	Very low	157 Å²	157	176.5 Å²	176.5	84%	0.84	85%	0.85	S	S	*	*			trans	72.3	61.2	178.3	-53.6	4.2	0	0	0	116.8
277	R	39.1	Very low	36.7	Very low	259 Å²	259	170.7 Å²	170.7	98%	0.977	85%	0.847	S	S	*	*	S	Bend	trans	-138.2	27.6	153.3	-90.8	-161.2	173.6	-175.4	-2.5	113.8
278	R	36.1	Very low	37.3	Very low	250 Å²	250	172.7 Å²	172.7	94%	0.943	85%	0.848	S	S	*	*	S	Bend	trans	-139.3	42.6	-176.7	-154.3	-179.6	-168	-178.2	3.2	113.2
279	A	36.1	Very low	37.3	Very low	88 Å²	88	169.2 Å²	169.2	73%	0.727	85%	0.847	S	S	*	*	S	Bend	trans	-160.2	28.8	-178	0	0	0	0	0	114.7
280	V	39	Very low	37.6	Very low	136 Å²	136	164.5 Å²	164.5	82%	0.824	85%	0.846	S	S	*	*			trans	-144.1	58	-178.2	-161.3	0	0	0	0	112.4
281	L	36.7	Very low	37.6	Very low	178 Å²	178	161 Å²	161	93%	0.932	85%	0.849	S	S	*	*	S	Bend	trans	-143.7	16.5	163.6	-90.2	-175.3	0	0	0	112.8
282	T	35	Very low	37.6	Very low	127 Å²	127	159.8 Å²	159.8	78%	0.779	85%	0.851	S	S	*	*	S	Bend	trans	-135.7	149.3	174.3	48.6	0	0	0	0	109.1
283	S	33.2	Very low	38	Very low	122 Å²	122	163 Å²	163	85%	0.853	85%	0.852	S	S	*	*			trans	69.3	86.2	-178.7	-160.1	0	0	0	0	117.8
284	R	39.6	Very low	37.9	Very low	250 Å²	250	158.1 Å²	158.1	94%	0.943	85%	0.85	S	S	*	*			trans	-172.1	128.7	143.7	-97.2	167.7	-169.5	-147.3	0.3	103.9
285	R	38.8	Very low	37.8	Very low	236 Å²	236	154.1 Å²	154.1	89%	0.891	84%	0.843	S	S	*	*			cis	-156.8	145	21	-176.7	-173	-163.6	170.5	1.7	108.7
286	P	35.6	Very low	37.7	Very low	110 Å²	110	149.1 Å²	149.1	71%	0.714	84%	0.839	S	S	*	*			trans	-93.7	174.3	-179.4	37.3	-36.1	0	0	0	114.3
287	S	39.4	Very low	37.6	Very low	123 Å²	123	147.5 Å²	147.5	86%	0.86	84%	0.835	S	S	*	*			trans	62.5	129.1	178.3	64.2	0	0	0	0	115.3
288	S	41	Very low	37.6	Very low	124 Å²	124	144.3 Å²	144.3	87%	0.867	83%	0.833	S	S	*	*			cis	-129.7	-168.6	34.9	47.7	0	0	0	0	115.2
289	G	36.4	Very low	37.6	Very low	68 Å²	68	138.4 Å²	138.4	70%	0.701	83%	0.831	S	S	*	*			trans	-69.6	-173.7	-173.7	0	0	0	0	0	116.6
290	T	39.4	Very low	37.6	Very low	148 Å²	148	137.6 Å²	137.6	91%	0.908	83%	0.831	S	S	*	*			cis	-144.6	174.8	29.3	-56	0	0	0	0	112.9
291	V	40.2	Very low	37.4	Very low	146 Å²	146	139.1 Å²	139.1	89%	0.885	83%	0.834	S	S	*	*			trans	-82.6	152.4	-173.4	179.2	0	0	0	0	113.4
292	G	38.4	Very low	37.6	Very low	67 Å²	67	136.9 Å²	136.9	69%	0.691	83%	0.828	S	S	*	*			trans	143.3	76.9	170.5	0	0	0	0	0	112.1
293	E	39.4	Very low	37.7	Very low	195 Å²	195	137.9 Å²	137.9	91%	0.911	83%	0.828	S	S	*	*				72	128.1	98.1	-103.9	-171	170.3	0	0	116.4
294	P	37.4	Very low	37.7	Very low	127 Å²	127	140 Å²	140	83%	0.825	83%	0.829	S	S	*	*			trans	-113.7	146.5	-175.7	39.7	-30.7	0	0	0	115.2
295	A	38	Very low	37.7	Very low	90 Å²	90	133.8 Å²	133.8	74%	0.744	82%	0.821	S	S	*	*			trans	-155.9	144.8	165.7	0	0	0	0	0	115.3
296	T	36.5	Very low	37.4	Very low	131 Å²	131	129.3 Å²	129.3	80%	0.804	82%	0.82	S	S	*	*			trans	52.4	116.4	151.6	41.5	0	0	0	0	122.7
297	T	33.9	Very low	37.5	Very low	123 Å²	123	129 Å²	129	76%	0.755	82%	0.821	S	S	*	*			trans	-30.5	145.5	144.9	48.6	0	0	0	0	117.9
298	M	38.9	Very low	37.3	Very low	191 Å²	191	129.7 Å²	129.7	94%	0.941	82%	0.815	S	S	*	*			trans	-142	146.2	138	-82.1	-59.2	171.4	0	0	110.1
299	S	36.1	Very low	37	Very low	127 Å²	127	130.4 Å²	130.4	89%	0.888	81%	0.809	S	S	*	*			trans	-88.5	158.8	167.3	-61	0	0	0	0	110.5
300	G	37.6	Very low	37.1	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	82%	0.82	S	S	*	*			trans	-164.8	107.5	171.4	0	0	0	0	0	112.8
301	D	33.9	Very low	37.2	Very low	167 Å²	167	137.5 Å²	137.5	89%	0.893	82%	0.818	S	S	*	*			trans	-73.6	123.2	168	-68.1	-65.2	0	0	0	110.4
302	V	40.4	Very low	36.9	Very low	131 Å²	131	139.7 Å²	139.7	79%	0.794	82%	0.821	S	S	*	*			trans	-140.5	99.9	165.2	-172.3	0	0	0	0	111.3
303	N	38.3	Very low	36.8	Very low	148 Å²	148	144.4 Å²	144.4	79%	0.791	83%	0.831	S	S	*	*			trans	11.9	133	148.2	-55.1	-45.9	0	0	0	120.8
304	L	32.7	Very low	36.9	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	82%	0.818	S	S	*	*			trans	-64.8	150	158.1	-70.4	164.3	0	0	0	112.5
305	P	39.5	Very low	36.6	Very low	119 Å²	119	138.7 Å²	138.7	77%	0.773	82%	0.817	S	S	*	*			trans	-111.2	136.9	151.5	35	-26.4	0	0	0	111.9
306	T	31.9	Very low	36.7	Very low	142 Å²	142	142.5 Å²	142.5	87%	0.871	82%	0.823	S	S	*	*			trans	-99.4	119.8	173.1	47.2	0	0	0	0	111.8
307	S	39.2	Very low	36.9	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	82%	0.822	S	S	*	*			trans	-163.6	112.5	158.9	54.1	0	0	0	0	108.3
308	N	33.5	Very low	36.9	Very low	136 Å²	136	145.3 Å²	145.3	73%	0.727	83%	0.827	S	S	*	*				84.4	142.2	80.7	-116.3	62.9	0	0	0	113.5
309	D	35	Very low	36.9	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	83%	0.825	S	S	*	*			trans	60.8	101.6	160.7	-48	-42	0	0	0	119.1
310	L	39.5	Very low	37	Very low	178 Å²	178	144.3 Å²	144.3	93%	0.932	82%	0.824	S	S	*	*			trans	-146.3	138.9	141.5	-109.9	172.8	0	0	0	109
311	E	40.4	Very low	37	Very low	188 Å²	188	149.8 Å²	149.8	88%	0.879	83%	0.831	S	S	*	*			trans	-81.3	160.1	-163.1	-69.7	169.5	103.1	0	0	114.5
312	M	35	Very low	36.9	Very low	191 Å²	191	151.3 Å²	151.3	94%	0.941	83%	0.833	S	S	*	*			trans	-83.3	124.6	171	-72.9	-96.8	-70.2	0	0	109.9
313	D	36	Very low	36.9	Very low	167 Å²	167	149.7 Å²	149.7	89%	0.893	83%	0.833	S	S	*	*			trans	-111.5	152.1	173.8	-135.1	-28.1	0	0	0	112
314	A	40.3	Very low	36.8	Very low	77 Å²	77	147.1 Å²	147.1	64%	0.636	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-83.1	154.9	-157.1	0	0	0	0	0	115.5
315	P	33	Very low	36.7	Very low	125 Å²	125	144.9 Å²	144.9	81%	0.812	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-72.3	134.9	177	30.1	-35	0	0	0	112.2
316	I	39.9	Very low	36.4	Very low	170 Å²	170	144.6 Å²	144.6	87%	0.872	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-79.6	130.9	176.1	-57.6	175.9	0	0	0	109.7
317	T	40.8	Very low	37	Very low	127 Å²	127	143.9 Å²	143.9	78%	0.779	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-80.4	168.8	-179.5	50	0	0	0	0	113.5
318	E	34.1	Very low	36.7	Very low	185 Å²	185	149.9 Å²	149.9	86%	0.864	83%	0.832	S	S	*	*			trans	-72.6	-171.8	170.7	-61.6	-176.7	116.4	0	0	112.1
319	E	38.9	Very low	37	Very low	193 Å²	193	148.5 Å²	148.5	90%	0.902	83%	0.833	S	S	*	*			trans	77.6	88.4	179.2	-57	-171.2	172.4	0	0	117.3
320	A	37.8	Very low	37.2	Very low	105 Å²	105	150.7 Å²	150.7	87%	0.868	84%	0.836	S	S	*	*			trans	-147.5	94.6	153.1	0	0	0	0	0	109
321	E	37	Very low	37.6	Very low	185 Å²	185	153.9 Å²	153.9	86%	0.864	84%	0.835	S	S	*	*			trans	-77.4	156	-170.5	-67.5	-173.2	116.6	0	0	115.3
322	E	32.6	Very low	37.7	Very low	200 Å²	200	148.2 Å²	148.2	94%	0.935	83%	0.828	S	S	*	*			trans	18	105.4	147.5	-164.8	165	-117.8	0	0	119.6
323	A	40.1	Very low	38.3	Very low	96 Å²	96	150.7 Å²	150.7	79%	0.793	83%	0.827	S	S	*	*			trans	-137.2	114.6	163.3	0	0	0	0	0	112.6
324	A	36.5	Very low	39.3	Very low	94 Å²	94	148.6 Å²	148.6	78%	0.777	82%	0.822	S	S	*	*			trans	28.8	106.2	160.9	0	0	0	0	0	118.4
325	S	30.8	Very low	40	Very low	120 Å²	120	154.8 Å²	154.8	84%	0.839	84%	0.835	S	S	*	*				43.9	102	69.8	-168.1	0	0	0	0	115.4
326	C	31.5	Very low	41	Very low	114 Å²	114	160.6 Å²	160.6	77%	0.77	84%	0.84	S	S	*	*				-172.1	173.2	124.4	-146.3	0	0	0	0	114.4
327	T	44.4	Very low	41.8	Very low	126 Å²	126	157.1 Å²	157.1	77%	0.773	84%	0.837	S	S	*	*			trans	61.7	64.7	159.1	62.6	0	0	0	0	121.3	S329	T327-S329 PolarHBondContact O-N 3.32Å
328	R	33.3	Very low	42.1	Very low	232 Å²	232	160.6 Å²	160.6	88%	0.875	84%	0.841	S	S	*	*			trans	-45.8	123.7	149	-178.7	-164.9	-153.5	177.6	11.1	112.5
329	S	40.7	Very low	43	Very low	106 Å²	106	164.5 Å²	164.5	74%	0.741	86%	0.859	S	S	*	*			trans	-135.1	121.8	171.4	-168	0	0	0	0	114	T327 R331	T327-S329 PolarHBondContact O-N 3.32Å; S329-R331 PolarHBondContact O-N 2.91Å
330	K	39.6	Very low	43.3	Very low	185 Å²	185	163.1 Å²	163.1	80%	0.804	86%	0.857	S	S	*	*			trans	-84.8	95.8	-178.9	-67.9	177.6	179.3	175.2	0	111.1	G332	K330-G332 PolarHBondContact O-N 3.27Å
331	R	46.3	Very low	43.5	Very low	245 Å²	245	166.1 Å²	166.1	93%	0.925	86%	0.856	S	S	*	*			trans	-80.6	100.4	168.3	-72.4	-166.7	174.1	-161.7	-1.5	111.1	S329	S329-R331 PolarHBondContact O-N 2.91Å
332	G	42.4	Very low	43.9	Very low	70 Å²	70	165.1 Å²	165.1	72%	0.722	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-69.2	154.2	179.3	0	0	0	0	0	113.7	K330	K330-G332 PolarHBondContact O-N 3.27Å
333	R	47.5	Very low	44.6	Very low	243 Å²	243	163 Å²	163	92%	0.917	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-89.4	120	179.3	-164.1	-177.9	-164.2	-176.7	6.6	109.9	K335	R333-K335 PolarHBondContact O-N 3.03Å
334	P	57.6	Low	44.8	Very low	122 Å²	122	167.2 Å²	167.2	79%	0.792	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-62.2	130.7	-179.6	-24.2	34.4	0	0	0	112.1
335	K	54.5	Low	45.4	Very low	208 Å²	208	172.1 Å²	172.1	90%	0.904	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-73.2	127.6	164.9	-74.5	-179.2	176.5	177.3	0	108.3	R333 A337	R333-K335 PolarHBondContact O-N 3.03Å; K335-A337 PolarHBondContact O-N 3.26Å
336	R	54.5	Low	46.4	Very low	247 Å²	247	175.8 Å²	175.8	93%	0.932	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-67.3	117.9	161.6	-90.9	-176.3	165.8	-174.5	-6.5	108.4
337	A	56.6	Low	47.6	Very low	97 Å²	97	180.5 Å²	180.5	80%	0.802	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-65.1	154.4	157.3	0	0	0	0	0	109.4	K335	K335-A337 PolarHBondContact O-N 3.26Å
338	K	46.5	Very low	47.9	Very low	200 Å²	200	185.1 Å²	185.1	87%	0.87	88%	0.876	S	S	*	*			trans	-108.8	140.4	162.3	-71.3	-178.4	176.7	-178.5	0	107.9
339	H	54.9	Low	49.2	Very low	266 Å²	266	180.8 Å²	180.8	100%	1.231	88%	0.876	S	S	*	*			trans	-141.5	0	145.7	-113.7	-73.5	0	0	0	107.4

Retrieved 339 of 339 residues in 233.1 ms (Link to these results)

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