A0A077Z987_TRITR Loading...

GINS complex subunit 4

AlphaFold DB , UniProt , Accession A0A077Z987, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 237 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	35.9	Very low	41.7	Very low	71 Å²	71	101.1 Å²	101.1	35%	0.35	45%	0.449	S	S	.	.				0	-59.7	0	-152.8	169.4	-84.6	0	0	114.7	H3 F5 T50	M1-H3 VanDerWaalsContact C-N 3.33Å; M1-H3 PolarHBondContact O-N 3.5Å; M1-F5 HydrophobicContact CG-CD2 3.53Å; M1-F5 HydrophobicContact CG-CE2 3.63Å; M1-F5 WeakPolarHBondContact O-CB 3.21Å; M1-F5 WeakPolarHBondContact O-CD2 3.12Å; M1-F5 PolarHBondContact O-N 3.3Å; M1-F5 VanDerWaalsContact O-N 3.13Å; M1-F5 HydrophobicContact SD-CE2 4.42Å; M1-T50 HydrophobicContact CE-CG2 4.13Å; M1-T50 WeakPolarHBondContact CE-O 3.47Å; M1-T50 HydrophobicContact SD-CG2 4.18Å
2	I	32.1	Very low	42.6	Very low	108 Å²	108	99.3 Å²	99.3	55%	0.554	44%	0.443	S	S	*	.	H	α-helix	trans	-59	-34.1	-174.3	-63.8	171.7	0	0	0	113.9	R6	I2-R6 HydrophobicContact CG2-CG 4.02Å; I2-R6 WeakPolarHBondContact O-CA 3.18Å; I2-R6 WeakPolarHBondContact O-CB 3.26Å; I2-R6 WeakPolarHBondContact O-CG 3.31Å; I2-R6 PolarHBondContact O-N 2.76Å
3	H	32.3	Very low	43.3	Very low	118 Å²	118	100.4 Å²	100.4	55%	0.546	44%	0.442	S	S	.	.	H	α-helix	trans	-81.6	-40.4	-176.2	-82	-86.1	0	0	0	115.4	M1 R6 Y7	M1-H3 VanDerWaalsContact C-N 3.33Å; M1-H3 PolarHBondContact O-N 3.5Å; H3-R6 PolarHBondContact O-N 2.8Å; H3-Y7 WeakPolarHBondContact O-CB 3.28Å; H3-Y7 PolarHBondContact O-N 3.02Å
4	V	39	Very low	44.3	Very low	67 Å²	67	100.6 Å²	100.6	41%	0.406	45%	0.445	S	S	.	.	H	α-helix	trans	-71.7	-41.2	175.8	-179.9	0	0	0	0	110.3	Y7 Y8	V4-Y7 PolarHBondContact O-N 3.31Å; V4-Y8 HydrophobicContact CG1-CD2 3.97Å; V4-Y8 HydrophobicContact CG1-CE2 4.12Å; V4-Y8 WeakPolarHBondContact O-CD2 3.48Å; V4-Y8 PolarHBondContact O-N 3.11Å; V4-Y8 VanDerWaalsContact O-N 3.08Å
5	F	39.9	Very low	45	Very low	50 Å²	50	101.1 Å²	101.1	22%	0.219	45%	0.453	C	S	.	.	H	α-helix	trans	-64.3	-39.8	169.2	-81	-93.6	0	0	0	111	M1 Y7 S9 M107	M1-F5 HydrophobicContact CG-CD2 3.53Å; M1-F5 HydrophobicContact CG-CE2 3.63Å; M1-F5 WeakPolarHBondContact O-CB 3.21Å; M1-F5 WeakPolarHBondContact O-CD2 3.12Å; M1-F5 PolarHBondContact O-N 3.3Å; M1-F5 VanDerWaalsContact O-N 3.13Å; M1-F5 HydrophobicContact SD-CE2 4.42Å; F5-Y7 PolarHBondContact O-N 3.38Å; F5-S9 WeakPolarHBondContact O-CA 3.2Å; F5-S9 WeakPolarHBondContact O-CB 3.16Å; F5-S9 PolarHBondContact O-N 3.05Å; F5-S9 PolarHBondContact O-OG 3.17Å; F5-M107 HydrophobicContact CE1-CE 4Å; F5-M107 HydrophobicContact CE1-SD 3.71Å; F5-M107 HydrophobicContact CZ-CE 4.14Å; F5-M107 HydrophobicContact CZ-SD 3.62Å
6	R	39.7	Very low	45.5	Very low	152 Å²	152	97.4 Å²	97.4	57%	0.574	44%	0.438	S	S	*	.	H	α-helix	trans	-60.6	-44.2	173.5	-87.3	176.3	-176.2	177.9	0.6	111.7	I2 H3 S9 Y10	I2-R6 HydrophobicContact CG2-CG 4.02Å; I2-R6 WeakPolarHBondContact O-CA 3.18Å; I2-R6 WeakPolarHBondContact O-CB 3.26Å; I2-R6 WeakPolarHBondContact O-CG 3.31Å; I2-R6 PolarHBondContact O-N 2.76Å; H3-R6 PolarHBondContact O-N 2.8Å; R6-S9 VanDerWaalsContact CA-OG 3.26Å; R6-S9 WeakPolarHBondContact CA-OG 3.49Å; R6-S9 CarbonylContact O-C 3.45Å; R6-S9 PolarHBondContact O-N 2.86Å; R6-S9 PolarHBondContact O-OG 2.8Å; R6-Y10 WeakPolarHBondContact O-CA 3.31Å; R6-Y10 WeakPolarHBondContact O-CB 3.33Å; R6-Y10 PolarHBondContact O-N 2.89Å
7	Y	44.9	Very low	46	Very low	144 Å²	144	98.1 Å²	98.1	57%	0.565	45%	0.447	S	S	*	.	H	α-helix	trans	-65.3	-51.5	-177.5	-171	-95.6	0	0	0	111.8	H3 V4 F5 S9 Y10 Q11	H3-Y7 WeakPolarHBondContact O-CB 3.28Å; H3-Y7 PolarHBondContact O-N 3.02Å; V4-Y7 PolarHBondContact O-N 3.31Å; F5-Y7 PolarHBondContact O-N 3.38Å; Y7-S9 VanDerWaalsContact C-N 3.35Å; Y7-S9 PolarHBondContact O-N 2.93Å; Y7-Y10 PolarHBondContact O-N 3.49Å; Y7-Q11 PolarHBondContact O-N 3.37Å
8	Y	45.9	Very low	46.8	Very low	136 Å²	136	97.3 Å²	97.3	53%	0.533	46%	0.461	S	S	.	.	H	α-helix	trans	-66.2	-37.1	175.8	-79.6	-79.7	0	0	0	112.1	V4 Y10 Q12	V4-Y8 HydrophobicContact CG1-CD2 3.97Å; V4-Y8 HydrophobicContact CG1-CE2 4.12Å; V4-Y8 WeakPolarHBondContact O-CD2 3.48Å; V4-Y8 PolarHBondContact O-N 3.11Å; V4-Y8 VanDerWaalsContact O-N 3.08Å; Y8-Y10 VanDerWaalsContact C-N 3.34Å; Y8-Q12 VanDerWaalsContact O-CB 3.31Å; Y8-Q12 WeakPolarHBondContact O-CB 3.48Å; Y8-Q12 WeakPolarHBondContact O-CG 3.36Å; Y8-Q12 PolarHBondContact O-N 2.7Å
9	S	45.9	Very low	47.4	Very low	26 Å²	26	99.1 Å²	99.1	18%	0.182	47%	0.472	C	S	.	.	H	α-helix	trans	-70.4	-28.7	175	76.5	0	0	0	0	112.9	F5 R6 Y7 R13	F5-S9 WeakPolarHBondContact O-CA 3.2Å; F5-S9 WeakPolarHBondContact O-CB 3.16Å; F5-S9 PolarHBondContact O-N 3.05Å; F5-S9 PolarHBondContact O-OG 3.17Å; R6-S9 VanDerWaalsContact CA-OG 3.26Å; R6-S9 WeakPolarHBondContact CA-OG 3.49Å; R6-S9 CarbonylContact O-C 3.45Å; R6-S9 PolarHBondContact O-N 2.86Å; R6-S9 PolarHBondContact O-OG 2.8Å; Y7-S9 VanDerWaalsContact C-N 3.35Å; Y7-S9 PolarHBondContact O-N 2.93Å; S9-R13 WeakPolarHBondContact O-CA 3.36Å; S9-R13 WeakPolarHBondContact O-CB 3.1Å; S9-R13 WeakPolarHBondContact O-CG 3.24Å; S9-R13 PolarHBondContact O-N 3.31Å
10	Y	50.3	Low	47.8	Very low	142 Å²	142	95.6 Å²	95.6	56%	0.557	46%	0.455	S	S	*	.	H	α-helix	trans	-75.9	-42.4	179.8	-176.8	-98.2	0	0	0	109.1	R6 Y7 Y8 Q14	R6-Y10 WeakPolarHBondContact O-CA 3.31Å; R6-Y10 WeakPolarHBondContact O-CB 3.33Å; R6-Y10 PolarHBondContact O-N 2.89Å; Y7-Y10 PolarHBondContact O-N 3.49Å; Y8-Y10 VanDerWaalsContact C-N 3.34Å; Y10-Q14 HydrophobicContact CD1-CG 4.43Å; Y10-Q14 VanDerWaalsContact CE1-CD 3.49Å; Y10-Q14 HydrophobicContact CE1-CG 4.19Å; Y10-Q14 WeakPolarHBondContact O-CB 3.44Å; Y10-Q14 VanDerWaalsContact O-CG 3.31Å; Y10-Q14 WeakPolarHBondContact O-CG 3.27Å; Y10-Q14 PolarHBondContact O-N 2.87Å; Y10-Q14 PolarHBondContact OH-NE2 3.34Å
11	Q	52.9	Low	48.2	Very low	98 Å²	98	95.9 Å²	95.9	46%	0.458	47%	0.466	S	S	.	.	H	α-helix	trans	-67.1	-41.5	172.5	-66.7	-140.7	-32.7	0	0	112.4	Y7 L15	Y7-Q11 PolarHBondContact O-N 3.37Å; Q11-L15 WeakPolarHBondContact O-CB 3.26Å; Q11-L15 WeakPolarHBondContact O-CG 3.19Å; Q11-L15 PolarHBondContact O-N 3.06Å
12	Q	52.8	Low	49.2	Very low	80 Å²	80	98.2 Å²	98.2	37%	0.374	49%	0.489	S	S	.	.	H	α-helix	trans	-69	-38.9	174.6	-76.3	-177.1	-48.9	0	0	112.5	Y8 L15 L16	Y8-Q12 VanDerWaalsContact O-CB 3.31Å; Y8-Q12 WeakPolarHBondContact O-CB 3.48Å; Y8-Q12 WeakPolarHBondContact O-CG 3.36Å; Y8-Q12 PolarHBondContact O-N 2.7Å; Q12-L15 PolarHBondContact O-N 3.04Å; Q12-L16 HydrophobicContact CB-CD1 4.39Å; Q12-L16 VanDerWaalsContact O-CB 3.24Å; Q12-L16 WeakPolarHBondContact O-CB 3.01Å; Q12-L16 WeakPolarHBondContact O-CD1 3.43Å; Q12-L16 WeakPolarHBondContact O-CG 3.4Å; Q12-L16 PolarHBondContact O-N 3.17Å
13	R	51.2	Low	50.3	Low	113 Å²	113	96 Å²	96	43%	0.426	49%	0.493	S	S	.	.	H	α-helix	trans	-65.7	-43.1	173.3	-82	-177.6	-171.7	-152.2	0.2	111.6	S9 L15 L16 D17	S9-R13 WeakPolarHBondContact O-CA 3.36Å; S9-R13 WeakPolarHBondContact O-CB 3.1Å; S9-R13 WeakPolarHBondContact O-CG 3.24Å; S9-R13 PolarHBondContact O-N 3.31Å; R13-L15 PolarHBondContact O-N 2.83Å; R13-L16 PolarHBondContact O-N 2.8Å; R13-D17 WeakPolarHBondContact O-CA 3.39Å; R13-D17 WeakPolarHBondContact O-CB 3.42Å; R13-D17 PolarHBondContact O-N 2.73Å
14	Q	57.5	Low	51.4	Low	103 Å²	103	91.3 Å²	91.3	48%	0.481	47%	0.472	S	S	.	.	H	α-helix	trans	-59.4	-38.4	174.5	-80	-170	-18.2	0	0	112.1	Y10 A18	Y10-Q14 HydrophobicContact CD1-CG 4.43Å; Y10-Q14 VanDerWaalsContact CE1-CD 3.49Å; Y10-Q14 HydrophobicContact CE1-CG 4.19Å; Y10-Q14 WeakPolarHBondContact O-CB 3.44Å; Y10-Q14 VanDerWaalsContact O-CG 3.31Å; Y10-Q14 WeakPolarHBondContact O-CG 3.27Å; Y10-Q14 PolarHBondContact O-N 2.87Å; Y10-Q14 PolarHBondContact OH-NE2 3.34Å; Q14-A18 WeakPolarHBondContact O-CB 3.45Å; Q14-A18 PolarHBondContact O-N 3.29Å
15	L	54.7	Low	52.1	Low	109 Å²	109	91.7 Å²	91.7	57%	0.571	48%	0.477	S	S	*	.	H	α-helix	trans	-71.3	-39.2	174.9	-75.2	166.1	0	0	0	112.7	Q11 Q12 R13 I19	Q11-L15 WeakPolarHBondContact O-CB 3.26Å; Q11-L15 WeakPolarHBondContact O-CG 3.19Å; Q11-L15 PolarHBondContact O-N 3.06Å; Q12-L15 PolarHBondContact O-N 3.04Å; R13-L15 PolarHBondContact O-N 2.83Å; L15-I19 WeakPolarHBondContact O-CB 3Å; L15-I19 WeakPolarHBondContact O-CD1 3.08Å; L15-I19 WeakPolarHBondContact O-CG1 3.29Å; L15-I19 PolarHBondContact O-N 3.1Å
16	L	53	Low	52.7	Low	42 Å²	42	95 Å²	95	22%	0.22	49%	0.493	C	S	.	.	H	α-helix	trans	-79.4	-40.2	-177.1	-69.1	165.1	0	0	0	112.1	Q12 R13 A18 I19 I20 L28	Q12-L16 HydrophobicContact CB-CD1 4.39Å; Q12-L16 VanDerWaalsContact O-CB 3.24Å; Q12-L16 WeakPolarHBondContact O-CB 3.01Å; Q12-L16 WeakPolarHBondContact O-CD1 3.43Å; Q12-L16 WeakPolarHBondContact O-CG 3.4Å; Q12-L16 PolarHBondContact O-N 3.17Å; R13-L16 PolarHBondContact O-N 2.8Å; L16-A18 PolarHBondContact O-N 2.95Å; L16-I19 PolarHBondContact O-N 2.68Å; L16-I19 VanDerWaalsContact O-N 3.11Å; L16-I20 HydrophobicContact CB-CD1 4.15Å; L16-I20 HydrophobicContact CD2-CD1 3.54Å; L16-I20 HydrophobicContact CG-CD1 4.45Å; L16-I20 WeakPolarHBondContact O-CB 3.39Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.08Å; L16-I20 PolarHBondContact O-N 2.95Å; L16-L28 HydrophobicContact CB-CD1 4.21Å; L16-L28 HydrophobicContact CD1-CD1 4.35Å; L16-L28 HydrophobicContact CD1-CD2 3.82Å
17	D	54.3	Low	53.4	Low	109 Å²	109	90 Å²	90	58%	0.583	48%	0.478	S	S	*	.	H	α-helix	trans	-67.4	-25.4	175.7	-64.6	-23.7	0	0	0	111.5	R13	R13-D17 WeakPolarHBondContact O-CA 3.39Å; R13-D17 WeakPolarHBondContact O-CB 3.42Å; R13-D17 PolarHBondContact O-N 2.73Å
18	A	59.6	Low	53.8	Low	84 Å²	84	84.5 Å²	84.5	69%	0.694	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-19.9	172.6	0	0	0	0	0	113.7	Q14 L16	Q14-A18 WeakPolarHBondContact O-CB 3.45Å; Q14-A18 PolarHBondContact O-N 3.29Å; L16-A18 PolarHBondContact O-N 2.95Å
19	I	57.9	Low	54.3	Low	130 Å²	130	80.1 Å²	80.1	67%	0.667	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-19	-171	-65.1	172.1	0	0	0	111.8	L15 L16	L15-I19 WeakPolarHBondContact O-CB 3Å; L15-I19 WeakPolarHBondContact O-CD1 3.08Å; L15-I19 WeakPolarHBondContact O-CG1 3.29Å; L15-I19 PolarHBondContact O-N 3.1Å; L16-I19 PolarHBondContact O-N 2.68Å; L16-I19 VanDerWaalsContact O-N 3.11Å
20	I	55.3	Low	54.8	Low	29 Å²	29	86.1 Å²	86.1	15%	0.149	47%	0.466	C	S	.	.	S	Bend	trans	-125.2	125.5	-162	-57	-179	0	0	0	112.8	L16 I24 I96	L16-I20 HydrophobicContact CB-CD1 4.15Å; L16-I20 HydrophobicContact CD2-CD1 3.54Å; L16-I20 HydrophobicContact CG-CD1 4.45Å; L16-I20 WeakPolarHBondContact O-CB 3.39Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.08Å; L16-I20 PolarHBondContact O-N 2.95Å; I20-I24 HydrophobicContact CD1-CG2 4.28Å; I20-I24 HydrophobicContact CG2-CB 3.31Å; I20-I24 HydrophobicContact CG2-CD1 3.29Å; I20-I24 HydrophobicContact CG2-CG1 3.25Å; I20-I24 HydrophobicContact CG2-CG2 3.82Å; I20-I96 HydrophobicContact CD1-CD1 4.12Å
21	P	56.3	Low	55.2	Low	103 Å²	103	80 Å²	80	67%	0.669	44%	0.443	S	S	*	.			trans	-58.8	148.2	173	-20.3	30.9	0	0	0	112.7	G23 I24	P21-G23 PolarHBondContact O-N 2.84Å; P21-I24 PolarHBondContact O-N 3.02Å
22	S	57.2	Low	55.2	Low	120 Å²	120	79.8 Å²	79.8	84%	0.839	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-45.6	-15.2	-170.1	51.6	0	0	0	0	118.6	I24	S22-I24 PolarHBondContact O-N 2.96Å
23	G	55.6	Low	55.5	Low	62 Å²	62	81.9 Å²	81.9	64%	0.639	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-72.7	-19.7	178.7	0	0	0	0	0	115.7	P21	P21-G23 PolarHBondContact O-N 2.84Å
24	I	56	Low	55.9	Low	19 Å²	19	78.8 Å²	78.8	10%	0.097	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-87.6	-9.9	-177.2	-57.3	-151	0	0	0	112.7	I20 P21 S22 E26 L27 L28 L92 I96	I20-I24 HydrophobicContact CD1-CG2 4.28Å; I20-I24 HydrophobicContact CG2-CB 3.31Å; I20-I24 HydrophobicContact CG2-CD1 3.29Å; I20-I24 HydrophobicContact CG2-CG1 3.25Å; I20-I24 HydrophobicContact CG2-CG2 3.82Å; P21-I24 PolarHBondContact O-N 3.02Å; S22-I24 PolarHBondContact O-N 2.96Å; I24-E26 PolarHBondContact O-N 3.38Å; I24-E26 VanDerWaalsContact O-N 3.17Å; I24-L27 HydrophobicContact CG2-CB 4.36Å; I24-L27 PolarHBondContact O-N 3.35Å; I24-L28 HydrophobicContact CG2-CD1 4.09Å; I24-L28 HydrophobicContact CG2-CG 3.96Å; I24-L28 PolarHBondContact O-N 2.87Å; I24-L92 HydrophobicContact CD1-CD2 3.6Å; I24-L92 HydrophobicContact CD1-CG 3.96Å; I24-I96 HydrophobicContact CD1-CD1 3.45Å; I24-I96 VanDerWaalsContact CD1-CD1 3.45Å; I24-I96 HydrophobicContact CG2-CD1 3.71Å
25	S	52.5	Low	56	Low	74 Å²	74	75 Å²	75	52%	0.517	42%	0.423	S	S	.	.	H	α-helix	trans	-50.7	-38.7	172.7	167.7	0	0	0	0	112.5	S29	S25-S29 VanDerWaalsContact O-CB 3.31Å; S25-S29 WeakPolarHBondContact O-CB 3.4Å; S25-S29 PolarHBondContact O-N 3.39Å; S25-S29 PolarHBondContact O-OG 2.84Å
26	E	53.5	Low	56.3	Low	119 Å²	119	72.1 Å²	72.1	56%	0.556	41%	0.408	S	S	*	.	H	α-helix	trans	-72.7	-39.1	179.4	-160.5	179.4	152.8	0	0	112	I24 S29 R30	I24-E26 PolarHBondContact O-N 3.38Å; I24-E26 VanDerWaalsContact O-N 3.17Å; E26-S29 PolarHBondContact O-N 3.42Å; E26-R30 WeakPolarHBondContact O-CB 3.25Å; E26-R30 VanDerWaalsContact O-CG 3.28Å; E26-R30 WeakPolarHBondContact O-CG 3.44Å; E26-R30 PolarHBondContact O-N 2.82Å; E26-R30 IonicContact OE1-CZ 3.68Å; E26-R30 IonicContact OE1-NE 3.32Å; E26-R30 IonicContact OE1-NH2 2.66Å; E26-R30 PolarHBondContact OE1-NH2 3.23Å
27	L	53.2	Low	56.6	Low	48 Å²	48	72.1 Å²	72.1	25%	0.251	41%	0.412	S	S	.	.	H	α-helix	trans	-66.6	-40.9	174.4	-72	174	0	0	0	111.7	I24 S29 R30 L31 E93	I24-L27 HydrophobicContact CG2-CB 4.36Å; I24-L27 PolarHBondContact O-N 3.35Å; L27-S29 VanDerWaalsContact C-N 3.33Å; L27-R30 CarbonylContact O-C 3.59Å; L27-R30 PolarHBondContact O-N 2.68Å; L27-L31 WeakPolarHBondContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CD1 3.43Å; L27-L31 VanDerWaalsContact O-CG 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.43Å; L27-L31 PolarHBondContact O-N 3.48Å; L27-E93 HydrophobicContact CD1-CB 4.37Å; L27-E93 HydrophobicContact CD1-CG 3.75Å
28	L	54.8	Low	56.9	Low	28 Å²	28	67.4 Å²	67.4	15%	0.147	39%	0.386	C	S	.	.	H	α-helix	trans	-67.3	-35.5	175.1	-70.8	171.2	0	0	0	112.1	L16 I24 L31 F32 I96	L16-L28 HydrophobicContact CB-CD1 4.21Å; L16-L28 HydrophobicContact CD1-CD1 4.35Å; L16-L28 HydrophobicContact CD1-CD2 3.82Å; I24-L28 HydrophobicContact CG2-CD1 4.09Å; I24-L28 HydrophobicContact CG2-CG 3.96Å; I24-L28 PolarHBondContact O-N 2.87Å; L28-L31 HydrophobicContact CD2-CD1 4.4Å; L28-L31 PolarHBondContact O-N 3.24Å; L28-F32 VanDerWaalsContact O-CB 3.29Å; L28-F32 WeakPolarHBondContact O-CB 2.96Å; L28-F32 PolarHBondContact O-N 2.73Å; L28-I96 HydrophobicContact CD2-CG2 4.23Å
29	S	56.2	Low	56.8	Low	45 Å²	45	64.2 Å²	64.2	32%	0.315	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-47	170.6	-63.5	0	0	0	0	110.2	S25 E26 L27 L31 F32 F33	S25-S29 VanDerWaalsContact O-CB 3.31Å; S25-S29 WeakPolarHBondContact O-CB 3.4Å; S25-S29 PolarHBondContact O-N 3.39Å; S25-S29 PolarHBondContact O-OG 2.84Å; E26-S29 PolarHBondContact O-N 3.42Å; L27-S29 VanDerWaalsContact C-N 3.33Å; S29-L31 VanDerWaalsContact C-N 3.33Å; S29-L31 PolarHBondContact O-N 3.36Å; S29-F32 PolarHBondContact O-N 2.93Å; S29-F33 WeakPolarHBondContact O-CB 3.31Å; S29-F33 WeakPolarHBondContact O-CD2 3.36Å; S29-F33 PolarHBondContact O-N 2.87Å
30	R	56	Low	56.9	Low	151 Å²	151	63.5 Å²	63.5	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-61	-37.6	175.5	-72	174.6	-173.8	-157.5	5.4	112.8	E26 L27 F33 L34	E26-R30 WeakPolarHBondContact O-CB 3.25Å; E26-R30 VanDerWaalsContact O-CG 3.28Å; E26-R30 WeakPolarHBondContact O-CG 3.44Å; E26-R30 PolarHBondContact O-N 2.82Å; E26-R30 IonicContact OE1-CZ 3.68Å; E26-R30 IonicContact OE1-NE 3.32Å; E26-R30 IonicContact OE1-NH2 2.66Å; E26-R30 PolarHBondContact OE1-NH2 3.23Å; L27-R30 CarbonylContact O-C 3.59Å; L27-R30 PolarHBondContact O-N 2.68Å; R30-F33 CarbonylContact O-C 3.56Å; R30-L34 WeakPolarHBondContact O-CB 3.47Å; R30-L34 PolarHBondContact O-N 2.89Å
31	L	58.1	Low	56.8	Low	15 Å²	15	68.7 Å²	68.7	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-71.2	-42.6	177.3	-73.1	158.4	0	0	0	112.3	L27 L28 S29 F33 L34 I96 E100	L27-L31 WeakPolarHBondContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CD1 3.43Å; L27-L31 VanDerWaalsContact O-CG 3.25Å; L27-L31 WeakPolarHBondContact O-CG 3.43Å; L27-L31 PolarHBondContact O-N 3.48Å; L28-L31 HydrophobicContact CD2-CD1 4.4Å; L28-L31 PolarHBondContact O-N 3.24Å; S29-L31 VanDerWaalsContact C-N 3.33Å; S29-L31 PolarHBondContact O-N 3.36Å; L31-F33 VanDerWaalsContact C-N 3.31Å; L31-F33 PolarHBondContact O-N 2.9Å; L31-L34 VanDerWaalsContact O-CB 3.3Å; L31-L34 WeakPolarHBondContact O-CB 3.3Å; L31-L34 PolarHBondContact O-N 3.28Å; L31-I96 HydrophobicContact CD1-CG2 3.56Å; L31-E100 HydrophobicContact CB-CG 4.24Å; L31-E100 HydrophobicContact CD2-CB 3.55Å; L31-E100 HydrophobicContact CD2-CG 3.61Å; L31-E100 HydrophobicContact CG-CB 4.49Å; L31-E100 HydrophobicContact CG-CG 4.48Å
32	F	54.4	Low	56.7	Low	92 Å²	92	67.2 Å²	67.2	40%	0.404	36%	0.356	S	S	.	.	H	α-helix	trans	-61	-42.6	172.6	-179.8	-95.9	0	0	0	111.5	L28 S29 L34	L28-F32 VanDerWaalsContact O-CB 3.29Å; L28-F32 WeakPolarHBondContact O-CB 2.96Å; L28-F32 PolarHBondContact O-N 2.73Å; S29-F32 PolarHBondContact O-N 2.93Å; F32-L34 VanDerWaalsContact C-N 3.26Å; F32-L34 PolarHBondContact O-N 3.44Å
33	F	59.1	Low	56.3	Low	124 Å²	124	65.9 Å²	65.9	54%	0.544	34%	0.335	S	S	.	.	H	α-helix	trans	-68	-25.4	171.8	-83.2	-67.7	0	0	0	112	S29 R30 L31 L35 D36 S37	S29-F33 WeakPolarHBondContact O-CB 3.31Å; S29-F33 WeakPolarHBondContact O-CD2 3.36Å; S29-F33 PolarHBondContact O-N 2.87Å; R30-F33 CarbonylContact O-C 3.56Å; L31-F33 VanDerWaalsContact C-N 3.31Å; L31-F33 PolarHBondContact O-N 2.9Å; F33-L35 PolarHBondContact O-N 3.33Å; F33-D36 PolarHBondContact O-N 2.78Å; F33-S37 VanDerWaalsContact O-CA 3.28Å; F33-S37 WeakPolarHBondContact O-CA 2.92Å; F33-S37 WeakPolarHBondContact O-CB 3.38Å; F33-S37 PolarHBondContact O-N 2.8Å
34	L	59.3	Low	55.8	Low	49 Å²	49	66 Å²	66	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-48.5	-173.1	-144.7	97.9	0	0	0	111.1	R30 L31 F32 S37 I38 M80	R30-L34 WeakPolarHBondContact O-CB 3.47Å; R30-L34 PolarHBondContact O-N 2.89Å; L31-L34 VanDerWaalsContact O-CB 3.3Å; L31-L34 WeakPolarHBondContact O-CB 3.3Å; L31-L34 PolarHBondContact O-N 3.28Å; F32-L34 VanDerWaalsContact C-N 3.26Å; F32-L34 PolarHBondContact O-N 3.44Å; L34-S37 CarbonylContact O-C 3.58Å; L34-S37 PolarHBondContact O-N 3.35Å; L34-I38 HydrophobicContact CB-CD1 4.47Å; L34-I38 HydrophobicContact CD2-CD1 3.79Å; L34-I38 HydrophobicContact CG-CD1 4.03Å; L34-I38 WeakPolarHBondContact O-CA 3.36Å; L34-I38 WeakPolarHBondContact O-CB 3.47Å; L34-I38 WeakPolarHBondContact O-CD1 3.41Å; L34-I38 WeakPolarHBondContact O-CG1 3.42Å; L34-I38 PolarHBondContact O-N 3.48Å; L34-M80 HydrophobicContact CD2-CE 3.31Å; L34-M80 HydrophobicContact CD2-CG 4.19Å; L34-M80 HydrophobicContact CD2-SD 3.57Å; L34-M80 VanDerWaalsContact CD2-SD 3.57Å
35	L	58.5	Low	55.3	Low	23 Å²	23	75.2 Å²	75.2	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-66.2	-44.3	176.6	-102.8	158.6	0	0	0	112.7	F33 S37 I38 M39 I104 M107	F33-L35 PolarHBondContact O-N 3.33Å; L35-S37 VanDerWaalsContact C-N 3.27Å; L35-S37 PolarHBondContact O-N 3.43Å; L35-I38 PolarHBondContact O-N 2.76Å; L35-M39 WeakPolarHBondContact O-CB 3.33Å; L35-M39 WeakPolarHBondContact O-CG 3.37Å; L35-M39 PolarHBondContact O-N 3.08Å; L35-I104 HydrophobicContact CD1-CD1 4.19Å; L35-I104 HydrophobicContact CD1-CG1 3.49Å; L35-I104 VanDerWaalsContact CD1-CG1 3.49Å; L35-I104 HydrophobicContact CD2-CG1 4.16Å; L35-I104 HydrophobicContact CD2-CG2 4.41Å; L35-I104 HydrophobicContact CG-CD1 4.07Å; L35-I104 HydrophobicContact CG-CG1 3.79Å; L35-M107 HydrophobicContact CD1-CE 3.42Å; L35-M107 VanDerWaalsContact CD1-CE 3.42Å; L35-M107 HydrophobicContact CD2-CE 4.37Å
36	D	60.6	Low	54.8	Low	48 Å²	48	75.6 Å²	75.6	26%	0.257	37%	0.367	S	S	.	.	H	α-helix	trans	-67.4	-31.9	178.4	-165.6	37.1	0	0	0	111.3	F33 K40	F33-D36 PolarHBondContact O-N 2.78Å; D36-K40 WeakPolarHBondContact O-CB 3.5Å; D36-K40 WeakPolarHBondContact O-CD 3.27Å; D36-K40 WeakPolarHBondContact O-CG 3.28Å; D36-K40 PolarHBondContact O-N 3.49Å; D36-K40 WeakPolarHBondContact OD1-CE 3.44Å; D36-K40 IonicContact OD1-NZ 2.8Å; D36-K40 WeakPolarHBondContact OD2-CE 3.22Å; D36-K40 IonicContact OD2-NZ 3.58Å; D36-K40 PolarHBondContact OD2-NZ 3.29Å
37	S	61.3	Low	54.7	Low	42 Å²	42	76.2 Å²	76.2	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-77.5	-39.5	175.5	-174.3	0	0	0	0	111.6	F33 L34 L35 M39 K40 Q41	F33-S37 VanDerWaalsContact O-CA 3.28Å; F33-S37 WeakPolarHBondContact O-CA 2.92Å; F33-S37 WeakPolarHBondContact O-CB 3.38Å; F33-S37 PolarHBondContact O-N 2.8Å; L34-S37 CarbonylContact O-C 3.58Å; L34-S37 PolarHBondContact O-N 3.35Å; L35-S37 VanDerWaalsContact C-N 3.27Å; L35-S37 PolarHBondContact O-N 3.43Å; S37-M39 VanDerWaalsContact C-N 3.26Å; S37-M39 PolarHBondContact O-N 2.93Å; S37-K40 PolarHBondContact O-N 3.08Å; S37-Q41 WeakPolarHBondContact O-CA 3.3Å; S37-Q41 WeakPolarHBondContact O-CB 3.36Å; S37-Q41 WeakPolarHBondContact O-CG 3.21Å; S37-Q41 PolarHBondContact O-N 3.13Å
38	I	60	Low	54.8	Low	10 Å²	10	74.2 Å²	74.2	5%	0.051	36%	0.363	C	S	.	.	H	α-helix	trans	-57.3	-47.6	170.3	-75.2	157.4	0	0	0	108.1	L34 L35 K42 E76 M80	L34-I38 HydrophobicContact CB-CD1 4.47Å; L34-I38 HydrophobicContact CD2-CD1 3.79Å; L34-I38 HydrophobicContact CG-CD1 4.03Å; L34-I38 WeakPolarHBondContact O-CA 3.36Å; L34-I38 WeakPolarHBondContact O-CB 3.47Å; L34-I38 WeakPolarHBondContact O-CD1 3.41Å; L34-I38 WeakPolarHBondContact O-CG1 3.42Å; L34-I38 PolarHBondContact O-N 3.48Å; L35-I38 PolarHBondContact O-N 2.76Å; I38-K42 VanDerWaalsContact O-CB 3.22Å; I38-K42 WeakPolarHBondContact O-CB 3.19Å; I38-K42 WeakPolarHBondContact O-CG 3.44Å; I38-K42 PolarHBondContact O-N 3.42Å; I38-E76 HydrophobicContact CB-CG 4.39Å; I38-E76 HydrophobicContact CD1-CG 3.3Å; I38-E76 HydrophobicContact CG1-CG 3.65Å; I38-E76 HydrophobicContact CG2-CB 4.4Å; I38-E76 HydrophobicContact CG2-CG 3.8Å; I38-M80 HydrophobicContact CD1-SD 4.19Å
39	M	57.2	Low	55.2	Low	17 Å²	17	74.3 Å²	74.3	8%	0.084	36%	0.364	C	S	.	.	H	α-helix	trans	-69.7	-37.2	178.5	-64.6	-66.8	-72.4	0	0	112.1	L35 S37 K43 I48 T50 L69	L35-M39 WeakPolarHBondContact O-CB 3.33Å; L35-M39 WeakPolarHBondContact O-CG 3.37Å; L35-M39 PolarHBondContact O-N 3.08Å; S37-M39 VanDerWaalsContact C-N 3.26Å; S37-M39 PolarHBondContact O-N 2.93Å; M39-K43 WeakPolarHBondContact O-CB 3Å; M39-K43 WeakPolarHBondContact O-CG 3.19Å; M39-K43 PolarHBondContact O-N 3.43Å; M39-I48 HydrophobicContact CE-CG2 3.77Å; M39-I48 HydrophobicContact SD-CG2 4.14Å; M39-T50 HydrophobicContact CB-CG2 3.78Å; M39-T50 HydrophobicContact CE-CG2 3.51Å; M39-T50 HydrophobicContact CG-CG2 4.18Å; M39-L69 HydrophobicContact CE-CD1 3.71Å; M39-L69 HydrophobicContact SD-CD1 4.03Å
40	K	60.3	Low	55.8	Low	116 Å²	116	73 Å²	73	50%	0.504	35%	0.354	S	S	.	.	H	α-helix	trans	-80.7	-42.1	-179.7	-78.1	170.8	175.9	170.4	0	114.6	D36 S37 K42 K43	D36-K40 WeakPolarHBondContact O-CB 3.5Å; D36-K40 WeakPolarHBondContact O-CD 3.27Å; D36-K40 WeakPolarHBondContact O-CG 3.28Å; D36-K40 PolarHBondContact O-N 3.49Å; D36-K40 WeakPolarHBondContact OD1-CE 3.44Å; D36-K40 IonicContact OD1-NZ 2.8Å; D36-K40 WeakPolarHBondContact OD2-CE 3.22Å; D36-K40 IonicContact OD2-NZ 3.58Å; D36-K40 PolarHBondContact OD2-NZ 3.29Å; S37-K40 PolarHBondContact O-N 3.08Å; K40-K42 VanDerWaalsContact C-N 3.25Å; K40-K42 PolarHBondContact O-N 2.93Å; K40-K43 WeakPolarHBondContact O-CB 2.83Å; K40-K43 PolarHBondContact O-N 3.23Å
41	Q	53.6	Low	56.8	Low	137 Å²	137	68.2 Å²	68.2	64%	0.64	34%	0.338	S	S	*	.	H	α-helix	trans	-62.2	-37.1	174.3	-77.3	-168.8	-27.6	0	0	110.7	S37	S37-Q41 WeakPolarHBondContact O-CA 3.3Å; S37-Q41 WeakPolarHBondContact O-CB 3.36Å; S37-Q41 WeakPolarHBondContact O-CG 3.21Å; S37-Q41 PolarHBondContact O-N 3.13Å
42	K	53.5	Low	57.8	Low	72 Å²	72	68.3 Å²	68.3	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-80.1	-23.7	176.1	-66.7	-87.2	-173.5	168.1	0	113.1	I38 K40 G44 Y45 M46 I48	I38-K42 VanDerWaalsContact O-CB 3.22Å; I38-K42 WeakPolarHBondContact O-CB 3.19Å; I38-K42 WeakPolarHBondContact O-CG 3.44Å; I38-K42 PolarHBondContact O-N 3.42Å; K40-K42 VanDerWaalsContact C-N 3.25Å; K40-K42 PolarHBondContact O-N 2.93Å; K42-G44 PolarHBondContact O-N 3.13Å; K42-G44 VanDerWaalsContact O-N 3.15Å; K42-Y45 PolarHBondContact O-N 3.19Å; K42-M46 PolarHBondContact O-N 2.78Å; K42-I48 HydrophobicContact CB-CD1 4.19Å
43	K	49	Very low	59	Low	92 Å²	92	64.9 Å²	64.9	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-55.5	-27.1	172.3	-94.4	173.1	-176.1	-177.2	0	113.5	M39 K40 Y45 I48 T50	M39-K43 WeakPolarHBondContact O-CB 3Å; M39-K43 WeakPolarHBondContact O-CG 3.19Å; M39-K43 PolarHBondContact O-N 3.43Å; K40-K43 WeakPolarHBondContact O-CB 2.83Å; K40-K43 PolarHBondContact O-N 3.23Å; K43-Y45 VanDerWaalsContact C-N 3.35Å; K43-I48 WeakPolarHBondContact CG-O 3.48Å; K43-T50 PolarHBondContact NZ-OG1 2.78Å
44	G	45.9	Very low	60.1	Low	66 Å²	66	59.6 Å²	59.6	68%	0.68	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.8	175.7	0	0	0	0	0	114.7	K42	K42-G44 PolarHBondContact O-N 3.13Å; K42-G44 VanDerWaalsContact O-N 3.15Å
45	Y	44.4	Very low	61.5	Low	211 Å²	211	58.1 Å²	58.1	83%	0.827	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-15.8	-173.3	-71.9	-79.4	0	0	0	114.2	K42 K43	K42-Y45 PolarHBondContact O-N 3.19Å; K43-Y45 VanDerWaalsContact C-N 3.35Å
46	M	41.9	Very low	62.7	Low	83 Å²	83	57.8 Å²	57.8	41%	0.409	29%	0.293	S	S	.	.	S	Bend	trans	-144.1	140.9	179	-66.2	175.9	175.3	0	0	108.2	K42 I48	K42-M46 PolarHBondContact O-N 2.78Å; M46-I48 HydrophobicContact CB-CD1 3.72Å; M46-I48 HydrophobicContact CB-CG1 3.66Å; M46-I48 HydrophobicContact CG-CD1 4.45Å; M46-I48 PolarHBondContact O-N 2.66Å; M46-I48 HydrophobicContact SD-CD1 3.96Å
47	N	50.8	Low	63.7	Low	132 Å²	132	57.4 Å²	57.4	71%	0.706	29%	0.29	S	S	*	.			trans	-69.1	37.3	179.1	-98.6	-34.3	0	0	0	112.9	N49	N47-N49 PolarHBondContact O-N 2.98Å
48	I	55.4	Low	65	Low	6 Å²	6	57.9 Å²	57.9	3%	0.031	29%	0.289	C	S	.	.			trans	-74.8	97.6	-176.4	-60.7	174.5	0	0	0	108.4	M39 K42 K43 M46 L69 C72	M39-I48 HydrophobicContact CE-CG2 3.77Å; M39-I48 HydrophobicContact SD-CG2 4.14Å; K42-I48 HydrophobicContact CB-CD1 4.19Å; K43-I48 WeakPolarHBondContact CG-O 3.48Å; M46-I48 HydrophobicContact CB-CD1 3.72Å; M46-I48 HydrophobicContact CB-CG1 3.66Å; M46-I48 HydrophobicContact CG-CD1 4.45Å; M46-I48 PolarHBondContact O-N 2.66Å; M46-I48 HydrophobicContact SD-CD1 3.96Å; I48-L69 HydrophobicContact CG2-CB 4.27Å; I48-L69 HydrophobicContact CG2-CD1 3.3Å; I48-L69 HydrophobicContact CG2-CG 4.35Å; I48-C72 HydrophobicContact CD1-CB 3.67Å
49	N	63.7	Low	66.2	Low	29 Å²	29	58 Å²	58	16%	0.155	29%	0.292	C	S	.	.			trans	-84.7	118.2	-179.7	-165.8	-7.2	0	0	0	110.1	N47 E51 S52	N47-N49 PolarHBondContact O-N 2.98Å; N49-E51 PolarHBondContact ND2-OE2 3.26Å; N49-E51 PolarHBondContact O-N 3.48Å; N49-E51 VanDerWaalsContact OD1-CB 3.32Å; N49-E51 WeakPolarHBondContact OD1-CB 3.11Å; N49-E51 VanDerWaalsContact OD1-CG 3.24Å; N49-E51 WeakPolarHBondContact OD1-CG 3.37Å; N49-E51 PolarHBondContact OD1-N 3.21Å; N49-E51 PolarHBondContact OD1-OE2 3.24Å; N49-S52 PolarHBondContact O-N 3.41Å; N49-S52 PolarHBondContact O-OG 3.47Å
50	T	68.4	Low	67.6	Low	17 Å²	17	59 Å²	59	10%	0.104	30%	0.3	C	S	.	.	H	α-helix	trans	-51.4	-26.4	168.7	39.8	0	0	0	0	112.7	M1 M39 K43 T54	M1-T50 HydrophobicContact CE-CG2 4.13Å; M1-T50 WeakPolarHBondContact CE-O 3.47Å; M1-T50 HydrophobicContact SD-CG2 4.18Å; M39-T50 HydrophobicContact CB-CG2 3.78Å; M39-T50 HydrophobicContact CE-CG2 3.51Å; M39-T50 HydrophobicContact CG-CG2 4.18Å; K43-T50 PolarHBondContact NZ-OG1 2.78Å; T50-T54 PolarHBondContact O-OG1 2.68Å
51	E	78	Confident	68.7	Low	52 Å²	52	53.9 Å²	53.9	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-71.1	-32.8	179.4	-60.4	166.9	168.5	0	0	112.8	N49 W53 T54 N55 L190 C235	N49-E51 PolarHBondContact ND2-OE2 3.26Å; N49-E51 PolarHBondContact O-N 3.48Å; N49-E51 VanDerWaalsContact OD1-CB 3.32Å; N49-E51 WeakPolarHBondContact OD1-CB 3.11Å; N49-E51 VanDerWaalsContact OD1-CG 3.24Å; N49-E51 WeakPolarHBondContact OD1-CG 3.37Å; N49-E51 PolarHBondContact OD1-N 3.21Å; N49-E51 PolarHBondContact OD1-OE2 3.24Å; E51-W53 PolarHBondContact O-N 2.85Å; E51-T54 CarbonylContact O-C 3.5Å; E51-T54 PolarHBondContact O-N 3.47Å; E51-N55 WeakPolarHBondContact O-CB 3.1Å; E51-N55 PolarHBondContact O-N 3.39Å; E51-N55 PolarHBondContact O-OD1 2.97Å; E51-L190 WeakPolarHBondContact OE2-CD1 3.13Å; E51-C235 HydrophobicContact CG-CB 4.49Å
52	S	79.3	Confident	70.2	Confident	17 Å²	17	48.6 Å²	48.6	12%	0.119	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-37.9	179.8	62.4	0	0	0	0	111.3	N49 T54 N55 E56 L69	N49-S52 PolarHBondContact O-N 3.41Å; N49-S52 PolarHBondContact O-OG 3.47Å; S52-T54 PolarHBondContact O-N 3.48Å; S52-N55 PolarHBondContact O-N 2.64Å; S52-E56 PolarHBondContact O-N 2.84Å; S52-L69 WeakPolarHBondContact OG-CD2 3.45Å
53	W	79	Confident	71.8	Confident	20 Å²	20	46.4 Å²	46.4	8%	0.076	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-45.5	171.3	-172.2	-78.4	0	0	0	112.9	E51 N55 E56 L57 L69 M107 L108 Y111	E51-W53 PolarHBondContact O-N 2.85Å; W53-N55 VanDerWaalsContact C-N 3.32Å; W53-E56 PolarHBondContact O-N 3.39Å; W53-L57 VanDerWaalsContact NE1-CD1 3.25Å; W53-L57 WeakPolarHBondContact O-CG 3.42Å; W53-L57 PolarHBondContact O-N 3.15Å; W53-L69 HydrophobicContact CE3-CD2 4.1Å; W53-M107 VanDerWaalsContact CH2-C 3.41Å; W53-M107 HydrophobicContact CH2-CB 4.12Å; W53-M107 VanDerWaalsContact CH2-O 3.25Å; W53-M107 WeakPolarHBondContact CH2-O 3.44Å; W53-M107 VanDerWaalsContact CZ2-C 3.42Å; W53-M107 HydrophobicContact CZ2-CB 3.67Å; W53-M107 WeakPolarHBondContact CZ2-O 3.36Å; W53-L108 HydrophobicContact CH2-CB 4.49Å; W53-L108 HydrophobicContact CH2-CD1 4.43Å; W53-L108 HydrophobicContact CZ3-CD1 4.26Å; W53-Y111 AromaticContact CD2-CD2 3.81Å; W53-Y111 HydrophobicContact CD2-CD2 3.81Å; W53-Y111 HydrophobicContact CD2-CG 4.47Å; W53-Y111 AromaticContact CE3-CD2 3.53Å; W53-Y111 HydrophobicContact CE3-CD2 3.53Å; W53-Y111 HydrophobicContact CE3-CE2 4.2Å; W53-Y111 AromaticContact CE3-CG 3.93Å; W53-Y111 HydrophobicContact CE3-CG 3.93Å; W53-Y111 HydrophobicContact CG-CD2 4.4Å; W53-Y111 HydrophobicContact CH2-CD2 4.43Å; W53-Y111 HydrophobicContact CH2-CG 4.15Å; W53-Y111 AromaticContact CZ3-CD2 3.89Å; W53-Y111 HydrophobicContact CZ3-CD2 3.89Å; W53-Y111 AromaticContact CZ3-CG 3.78Å; W53-Y111 HydrophobicContact CZ3-CG 3.78Å
54	T	82	Confident	73.5	Confident	13 Å²	13	44.6 Å²	44.6	8%	0.08	24%	0.243	C	C	.	.	H	α-helix	trans	-67.8	-38.5	-179.6	-53.5	0	0	0	0	110.5	T50 E51 S52 L57 N58 L236	T50-T54 PolarHBondContact O-OG1 2.68Å; E51-T54 CarbonylContact O-C 3.5Å; E51-T54 PolarHBondContact O-N 3.47Å; S52-T54 PolarHBondContact O-N 3.48Å; T54-L57 PolarHBondContact O-N 2.76Å; T54-N58 WeakPolarHBondContact O-CB 3.38Å; T54-N58 PolarHBondContact O-N 2.67Å; T54-N58 PolarHBondContact O-ND2 3.43Å; T54-L236 WeakPolarHBondContact CG2-O 3.3Å
55	N	87.9	Confident	75.4	Confident	18 Å²	18	43.5 Å²	43.5	10%	0.096	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-47.8	176.1	-66.8	-14.4	0	0	0	110.8	E51 S52 W53 L57 N58 A59 L63 C235 L236	E51-N55 WeakPolarHBondContact O-CB 3.1Å; E51-N55 PolarHBondContact O-N 3.39Å; E51-N55 PolarHBondContact O-OD1 2.97Å; S52-N55 PolarHBondContact O-N 2.64Å; W53-N55 VanDerWaalsContact C-N 3.32Å; N55-L57 VanDerWaalsContact C-N 3.32Å; N55-L57 PolarHBondContact O-N 3.41Å; N55-N58 PolarHBondContact O-N 3.25Å; N55-A59 WeakPolarHBondContact O-CB 3.48Å; N55-A59 PolarHBondContact O-N 3Å; N55-L63 HydrophobicContact CB-CD1 3.6Å; N55-C235 PolarHBondContact OD1-SG 3.43Å; N55-L236 PolarHBondContact OD1-N 3.43Å
56	E	84.3	Confident	77.2	Confident	16 Å²	16	36.8 Å²	36.8	8%	0.075	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-40.9	179.2	-159.4	73.3	-126.8	0	0	112.6	S52 W53 N58 L63 Y111	S52-E56 PolarHBondContact O-N 2.84Å; W53-E56 PolarHBondContact O-N 3.39Å; E56-N58 VanDerWaalsContact C-N 3.29Å; E56-N58 PolarHBondContact O-N 3.23Å; E56-L63 PolarHBondContact OE1-N 3.4Å; E56-L63 WeakPolarHBondContact OE2-CB 3.41Å; E56-Y111 HydrophobicContact CB-CD2 3.72Å; E56-Y111 HydrophobicContact CB-CE2 3.32Å; E56-Y111 HydrophobicContact CG-CD2 3.81Å; E56-Y111 HydrophobicContact CG-CE2 3.48Å; E56-Y111 VanDerWaalsContact CG-CE2 3.48Å; E56-Y111 HydrophobicContact CG-CG 4.45Å; E56-Y111 PolarHBondContact OE2-OH 2.89Å
57	L	82.8	Confident	79.3	Confident	40 Å²	40	35.7 Å²	35.7	21%	0.209	19%	0.194	C	C	.	.	H	α-helix	trans	-67.4	-31.2	-178.4	-74.8	-177.2	0	0	0	113.4	W53 T54 N55 R113	W53-L57 VanDerWaalsContact NE1-CD1 3.25Å; W53-L57 WeakPolarHBondContact O-CG 3.42Å; W53-L57 PolarHBondContact O-N 3.15Å; T54-L57 PolarHBondContact O-N 2.76Å; N55-L57 VanDerWaalsContact C-N 3.32Å; N55-L57 PolarHBondContact O-N 3.41Å; L57-R113 PolarHBondContact O-NH1 3.36Å; L57-R113 VanDerWaalsContact O-NH1 3.16Å
58	N	86.7	Confident	80.7	Confident	51 Å²	51	35.2 Å²	35.2	27%	0.273	19%	0.188	S	C	.	.	H	α-helix	trans	-105.8	-10.3	-172.5	-69.1	-28.5	0	0	0	113.4	T54 N55 E56 L236 K237	T54-N58 WeakPolarHBondContact O-CB 3.38Å; T54-N58 PolarHBondContact O-N 2.67Å; T54-N58 PolarHBondContact O-ND2 3.43Å; N55-N58 PolarHBondContact O-N 3.25Å; E56-N58 VanDerWaalsContact C-N 3.29Å; E56-N58 PolarHBondContact O-N 3.23Å; N58-L236 HydrophobicContact CB-CB 3.74Å; N58-L236 HydrophobicContact CB-CD1 4.3Å; N58-K237 PolarHBondContact ND2-OXT 2.9Å
59	A	86.9	Confident	81.9	Confident	14 Å²	14	35.1 Å²	35.1	12%	0.116	19%	0.187	C	C	.	.			trans	-72.4	140	174.9	0	0	0	0	0	110.2	N55 I61 L63 F222 L236	N55-A59 WeakPolarHBondContact O-CB 3.48Å; N55-A59 PolarHBondContact O-N 3Å; A59-I61 VanDerWaalsContact CB-O 3.29Å; A59-I61 WeakPolarHBondContact CB-O 3.36Å; A59-I61 PolarHBondContact O-N 3.21Å; A59-L63 HydrophobicContact CB-CD1 4.01Å; A59-L63 HydrophobicContact CB-CD2 3.96Å; A59-L63 HydrophobicContact CB-CG 3.91Å; A59-F222 HydrophobicContact CB-CE2 3.89Å; A59-F222 HydrophobicContact CB-CZ 4.4Å; A59-L236 HydrophobicContact CB-CD1 3.88Å
60	P	84.9	Confident	82.8	Confident	36 Å²	36	34.6 Å²	34.6	23%	0.234	19%	0.185	C	C	.	.	S	Bend	trans	-76.3	-7.6	172.4	31.2	-30.9	0	0	0	112	V185 F222	P60-V185 HydrophobicContact CG-CG1 4.38Å; P60-F222 HydrophobicContact CG-CB 3.68Å; P60-F222 HydrophobicContact CG-CD1 4.11Å; P60-F222 HydrophobicContact CG-CD2 4Å; P60-F222 HydrophobicContact CG-CG 3.63Å
61	I	84.2	Confident	83.6	Confident	10 Å²	10	36.7 Å²	36.7	5%	0.051	20%	0.196	C	C	.	.	S	Bend	trans	-128.8	154.2	-174.4	86.1	167.9	0	0	0	109	A59 L63 V179 Y181 F222	A59-I61 VanDerWaalsContact CB-O 3.29Å; A59-I61 WeakPolarHBondContact CB-O 3.36Å; A59-I61 PolarHBondContact O-N 3.21Å; I61-L63 HydrophobicContact CG1-CD2 4.09Å; I61-L63 PolarHBondContact O-N 2.9Å; I61-V179 HydrophobicContact CB-CG1 3.49Å; I61-V179 VanDerWaalsContact CB-CG1 3.49Å; I61-V179 HydrophobicContact CG2-CG1 3.03Å; I61-Y181 HydrophobicContact CD1-CD1 4.26Å; I61-Y181 HydrophobicContact CD1-CE1 3.63Å; I61-Y181 HydrophobicContact CG2-CD1 4.24Å; I61-Y181 HydrophobicContact CG2-CE1 4.23Å; I61-F222 HydrophobicContact CD1-CD1 4.3Å; I61-F222 HydrophobicContact CD1-CE1 3.34Å; I61-F222 HydrophobicContact CD1-CZ 3.85Å; I61-F222 HydrophobicContact CG1-CD1 4.42Å; I61-F222 HydrophobicContact CG1-CE1 3.57Å; I61-F222 HydrophobicContact CG1-CZ 3.72Å; I61-F222 HydrophobicContact CG2-CD1 4.11Å; I61-F222 HydrophobicContact CG2-CE1 4.05Å
62	L	86.1	Confident	83.8	Confident	25 Å²	25	34.7 Å²	34.7	13%	0.131	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-67.2	126.7	169.6	-170.3	73.8	0	0	0	110.2	L121 L133 L134	L62-L121 HydrophobicContact CD2-CD1 3.92Å; L62-L121 HydrophobicContact CD2-CD2 4.44Å; L62-L133 HydrophobicContact CD2-CB 4.28Å; L62-L134 HydrophobicContact CD2-CD2 3.58Å; L62-L134 HydrophobicContact CD2-CG 4.34Å
63	L	87.2	Confident	83.9	Confident	26 Å²	26	34.3 Å²	34.3	14%	0.136	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-89.4	169.2	177.3	-56	179.2	0	0	0	111.2	N55 E56 A59 I61 F222	N55-L63 HydrophobicContact CB-CD1 3.6Å; E56-L63 PolarHBondContact OE1-N 3.4Å; E56-L63 WeakPolarHBondContact OE2-CB 3.41Å; A59-L63 HydrophobicContact CB-CD1 4.01Å; A59-L63 HydrophobicContact CB-CD2 3.96Å; A59-L63 HydrophobicContact CB-CG 3.91Å; I61-L63 HydrophobicContact CG1-CD2 4.09Å; I61-L63 PolarHBondContact O-N 2.9Å; L63-F222 HydrophobicContact CD2-CE2 4.33Å; L63-F222 HydrophobicContact CD2-CZ 3.77Å
64	P	84.9	Confident	84.3	Confident	55 Å²	55	39.5 Å²	39.5	36%	0.357	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-57.6	141.6	176.8	-25.9	35.9	0	0	0	112.9	Q66 T132	P64-Q66 PolarHBondContact O-NE2 2.91Å; P64-T132 WeakPolarHBondContact CA-O 3.42Å
65	Q	83.9	Confident	84.5	Confident	42 Å²	42	43.8 Å²	43.8	20%	0.196	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-62	136.6	-169.6	-152.1	-161.9	-4	0	0	113	V67 T132 T135 E138	Q65-V67 HydrophobicContact CB-CG2 4.48Å; Q65-V67 HydrophobicContact CG-CG2 4.12Å; Q65-T132 PolarHBondContact N-O 3.11Å; Q65-T135 VanDerWaalsContact CD-N 3.32Å; Q65-T135 VanDerWaalsContact NE2-CB 3.3Å; Q65-T135 PolarHBondContact NE2-OG1 2.81Å; Q65-E138 VanDerWaalsContact CD-OE2 3.26Å; Q65-E138 PolarHBondContact NE2-OE1 2.9Å; Q65-E138 PolarHBondContact NE2-OE2 3.23Å
66	Q	83.5	Confident	84.3	Confident	71 Å²	71	43.5 Å²	43.5	33%	0.332	22%	0.224	S	C	.	.			trans	-108.7	66.6	176.1	-56.5	-63.1	-46.4	0	0	111.2	P64 E68 L69 V70 Y111	P64-Q66 PolarHBondContact O-NE2 2.91Å; Q66-E68 VanDerWaalsContact C-N 3.27Å; Q66-E68 PolarHBondContact O-N 3.47Å; Q66-L69 HydrophobicContact CB-CB 3.88Å; Q66-L69 HydrophobicContact CB-CD2 4.09Å; Q66-L69 WeakPolarHBondContact O-CB 3.43Å; Q66-L69 PolarHBondContact O-N 3.37Å; Q66-L69 VanDerWaalsContact O-N 3.14Å; Q66-V70 WeakPolarHBondContact O-CG2 3.43Å; Q66-V70 PolarHBondContact O-N 3.34Å; Q66-Y111 WeakPolarHBondContact CB-OH 3.49Å; Q66-Y111 WeakPolarHBondContact CG-OH 3.45Å
67	V	84.6	Confident	84.4	Confident	60 Å²	60	43.2 Å²	43.2	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-53.4	-43.5	-175.5	179.9	0	0	0	0	112.2	Q65 V70 N71 T135	Q65-V67 HydrophobicContact CB-CG2 4.48Å; Q65-V67 HydrophobicContact CG-CG2 4.12Å; V67-V70 PolarHBondContact O-N 2.91Å; V67-N71 VanDerWaalsContact CG1-ND2 3.34Å; V67-N71 WeakPolarHBondContact CG1-ND2 3.36Å; V67-N71 VanDerWaalsContact O-CB 3.28Å; V67-N71 WeakPolarHBondContact O-CB 3.31Å; V67-N71 PolarHBondContact O-N 3.27Å; V67-N71 PolarHBondContact O-ND2 2.75Å; V67-T135 HydrophobicContact CG2-CG2 4.03Å
68	E	81.2	Confident	84.7	Confident	122 Å²	122	46.8 Å²	46.8	57%	0.57	24%	0.237	S	C	*	.	H	α-helix	trans	-63.8	-44	-179.4	-64.4	-176.3	176.7	0	0	112.2	Q66 C72	Q66-E68 VanDerWaalsContact C-N 3.27Å; Q66-E68 PolarHBondContact O-N 3.47Å; E68-C72 WeakPolarHBondContact O-CB 2.92Å; E68-C72 PolarHBondContact O-N 2.83Å
69	L	79.9	Confident	84.7	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-51.1	177.5	171.7	67.9	0	0	0	110.5	M39 I48 S52 W53 Q66 N71 C72 V73 Y111	M39-L69 HydrophobicContact CE-CD1 3.71Å; M39-L69 HydrophobicContact SD-CD1 4.03Å; I48-L69 HydrophobicContact CG2-CB 4.27Å; I48-L69 HydrophobicContact CG2-CD1 3.3Å; I48-L69 HydrophobicContact CG2-CG 4.35Å; S52-L69 WeakPolarHBondContact OG-CD2 3.45Å; W53-L69 HydrophobicContact CE3-CD2 4.1Å; Q66-L69 HydrophobicContact CB-CB 3.88Å; Q66-L69 HydrophobicContact CB-CD2 4.09Å; Q66-L69 WeakPolarHBondContact O-CB 3.43Å; Q66-L69 PolarHBondContact O-N 3.37Å; Q66-L69 VanDerWaalsContact O-N 3.14Å; L69-N71 VanDerWaalsContact C-N 3.35Å; L69-N71 PolarHBondContact O-N 3.38Å; L69-C72 PolarHBondContact O-N 3.43Å; L69-V73 HydrophobicContact CD1-CG2 4.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.11Å; L69-V73 PolarHBondContact O-N 3.27Å; L69-Y111 HydrophobicContact CD2-CE2 4.31Å
70	V	83.5	Confident	84.6	Confident	19 Å²	19	49.2 Å²	49.2	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-46.5	-179.7	172.1	0	0	0	0	110.5	Q66 V67 V73 R74 L108 Y111 L112	Q66-V70 WeakPolarHBondContact O-CG2 3.43Å; Q66-V70 PolarHBondContact O-N 3.34Å; V67-V70 PolarHBondContact O-N 2.91Å; V70-V73 PolarHBondContact O-N 3Å; V70-R74 VanDerWaalsContact O-CB 3.24Å; V70-R74 WeakPolarHBondContact O-CB 3.27Å; V70-R74 PolarHBondContact O-N 3.08Å; V70-L108 HydrophobicContact CG1-CD1 4.26Å; V70-Y111 HydrophobicContact CG2-CD1 3.94Å; V70-Y111 HydrophobicContact CG2-CE1 3.63Å; V70-L112 HydrophobicContact CG1-CD2 4.42Å; V70-L112 HydrophobicContact CG2-CD2 4.16Å
71	N	85.1	Confident	84.8	Confident	60 Å²	60	50.4 Å²	50.4	32%	0.321	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-40.6	177.9	-84.1	-42	0	0	0	112.7	V67 L69 R74 L75	V67-N71 VanDerWaalsContact CG1-ND2 3.34Å; V67-N71 WeakPolarHBondContact CG1-ND2 3.36Å; V67-N71 VanDerWaalsContact O-CB 3.28Å; V67-N71 WeakPolarHBondContact O-CB 3.31Å; V67-N71 PolarHBondContact O-N 3.27Å; V67-N71 PolarHBondContact O-ND2 2.75Å; L69-N71 VanDerWaalsContact C-N 3.35Å; L69-N71 PolarHBondContact O-N 3.38Å; N71-R74 PolarHBondContact O-N 3.4Å; N71-R74 PolarHBondContact OD1-NE 3.28Å; N71-R74 PolarHBondContact OD1-NH2 3.13Å; N71-R74 VanDerWaalsContact OD1-NH2 3.07Å; N71-L75 WeakPolarHBondContact O-CB 3.33Å; N71-L75 VanDerWaalsContact O-CG 3.27Å; N71-L75 WeakPolarHBondContact O-CG 3.3Å; N71-L75 PolarHBondContact O-N 2.84Å
72	C	81.6	Confident	85	Confident	10 Å²	10	53.6 Å²	53.6	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-50.5	176.7	-175.2	0	0	0	0	111	I48 E68 L69 R74 L75 E76	I48-C72 HydrophobicContact CD1-CB 3.67Å; E68-C72 WeakPolarHBondContact O-CB 2.92Å; E68-C72 PolarHBondContact O-N 2.83Å; L69-C72 PolarHBondContact O-N 3.43Å; C72-R74 PolarHBondContact O-N 2.97Å; C72-L75 PolarHBondContact O-N 2.83Å; C72-E76 VanDerWaalsContact O-CB 3.26Å; C72-E76 WeakPolarHBondContact O-CB 3.45Å; C72-E76 PolarHBondContact O-N 3.43Å
73	V	82.1	Confident	84.9	Confident	9 Å²	9	55.5 Å²	55.5	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-42	178.9	177.3	0	0	0	0	110.9	L69 V70 E76 V77 I104 L108	L69-V73 HydrophobicContact CD1-CG2 4.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.11Å; L69-V73 PolarHBondContact O-N 3.27Å; V70-V73 PolarHBondContact O-N 3Å; V73-E76 PolarHBondContact O-N 2.92Å; V73-V77 HydrophobicContact CG1-CG2 4.25Å; V73-V77 WeakPolarHBondContact O-CB 3.46Å; V73-V77 VanDerWaalsContact O-CG2 3.28Å; V73-V77 WeakPolarHBondContact O-CG2 3.39Å; V73-V77 PolarHBondContact O-N 2.86Å; V73-I104 HydrophobicContact CG1-CG2 3.69Å; V73-L108 HydrophobicContact CB-CD1 4.32Å; V73-L108 HydrophobicContact CG1-CB 4.42Å; V73-L108 HydrophobicContact CG1-CD1 4.17Å; V73-L108 HydrophobicContact CG1-CD2 4.25Å
74	R	87.4	Confident	84.8	Confident	130 Å²	130	55 Å²	55	49%	0.491	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-46.7	178.2	-175.8	-179.2	65.9	90.3	-1	112.5	V70 N71 C72 E76 K78 L108	V70-R74 VanDerWaalsContact O-CB 3.24Å; V70-R74 WeakPolarHBondContact O-CB 3.27Å; V70-R74 PolarHBondContact O-N 3.08Å; N71-R74 PolarHBondContact O-N 3.4Å; N71-R74 PolarHBondContact OD1-NE 3.28Å; N71-R74 PolarHBondContact OD1-NH2 3.13Å; N71-R74 VanDerWaalsContact OD1-NH2 3.07Å; C72-R74 PolarHBondContact O-N 2.97Å; R74-E76 VanDerWaalsContact C-N 3.31Å; R74-K78 WeakPolarHBondContact O-CB 3.24Å; R74-K78 PolarHBondContact O-N 2.58Å; R74-K78 VanDerWaalsContact O-N 3.12Å; R74-L108 HydrophobicContact CB-CD2 4.38Å
75	L	87	Confident	84.8	Confident	102 Å²	102	57.3 Å²	57.3	53%	0.534	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-40.3	177.3	-73.2	172.4	0	0	0	111.3	N71 C72 K78 R79	N71-L75 WeakPolarHBondContact O-CB 3.33Å; N71-L75 VanDerWaalsContact O-CG 3.27Å; N71-L75 WeakPolarHBondContact O-CG 3.3Å; N71-L75 PolarHBondContact O-N 2.84Å; C72-L75 PolarHBondContact O-N 2.83Å; L75-K78 PolarHBondContact O-N 3.24Å; L75-R79 PolarHBondContact O-N 2.76Å
76	E	81.9	Confident	85	Confident	12 Å²	12	64.5 Å²	64.5	6%	0.056	31%	0.308	C	S	.	.	H	α-helix	trans	-65.9	-47.6	179.5	-174.3	57.6	-147.5	0	0	112.4	I38 C72 V73 R74 K78 R79 M80	I38-E76 HydrophobicContact CB-CG 4.39Å; I38-E76 HydrophobicContact CD1-CG 3.3Å; I38-E76 HydrophobicContact CG1-CG 3.65Å; I38-E76 HydrophobicContact CG2-CB 4.4Å; I38-E76 HydrophobicContact CG2-CG 3.8Å; C72-E76 VanDerWaalsContact O-CB 3.26Å; C72-E76 WeakPolarHBondContact O-CB 3.45Å; C72-E76 PolarHBondContact O-N 3.43Å; V73-E76 PolarHBondContact O-N 2.92Å; R74-E76 VanDerWaalsContact C-N 3.31Å; E76-K78 PolarHBondContact O-N 2.93Å; E76-R79 VanDerWaalsContact CD-CZ 3.43Å; E76-R79 WeakPolarHBondContact O-CB 3.48Å; E76-R79 PolarHBondContact O-N 3.43Å; E76-R79 VanDerWaalsContact O-N 3.12Å; E76-R79 IonicContact OE1-CZ 2.92Å; E76-R79 IonicContact OE1-NE 3.47Å; E76-R79 PolarHBondContact OE1-NE 3.43Å; E76-R79 IonicContact OE1-NH2 2.88Å; E76-R79 PolarHBondContact OE1-NH2 2.6Å; E76-R79 IonicContact OE2-CZ 3.8Å; E76-R79 IonicContact OE2-NE 3.27Å; E76-R79 PolarHBondContact OE2-NE 3.23Å; E76-R79 IonicContact OE2-NH1 3.66Å; E76-R79 PolarHBondContact OE2-NH1 3.5Å; E76-R79 IonicContact OE2-NH2 2.78Å; E76-R79 PolarHBondContact OE2-NH2 2.83Å; E76-M80 HydrophobicContact CG-SD 4.34Å; E76-M80 WeakPolarHBondContact O-CB 3.2Å; E76-M80 VanDerWaalsContact O-CG 3.3Å; E76-M80 WeakPolarHBondContact O-CG 3.22Å; E76-M80 PolarHBondContact O-N 2.91Å
77	V	87.3	Confident	84.9	Confident	10 Å²	10	63.2 Å²	63.2	6%	0.061	31%	0.307	C	S	.	.	H	α-helix	trans	-57	-41.8	174.3	169.3	0	0	0	0	110.9	V73 M80 Q81 V101 I104	V73-V77 HydrophobicContact CG1-CG2 4.25Å; V73-V77 WeakPolarHBondContact O-CB 3.46Å; V73-V77 VanDerWaalsContact O-CG2 3.28Å; V73-V77 WeakPolarHBondContact O-CG2 3.39Å; V73-V77 PolarHBondContact O-N 2.86Å; V77-M80 PolarHBondContact O-N 2.81Å; V77-Q81 VanDerWaalsContact O-CG 3.29Å; V77-Q81 WeakPolarHBondContact O-CG 3.33Å; V77-Q81 PolarHBondContact O-N 3.24Å; V77-V101 HydrophobicContact CG1-CG1 4.15Å; V77-I104 HydrophobicContact CG2-CB 3.92Å; V77-I104 HydrophobicContact CG2-CG2 3.31Å
78	K	90	Very high	85	Confident	115 Å²	115	70.4 Å²	70.4	50%	0.5	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-42.4	177.1	-173.7	178.7	-179	-179.3	0	111.8	R74 L75 E76 Q81 Q82	R74-K78 WeakPolarHBondContact O-CB 3.24Å; R74-K78 PolarHBondContact O-N 2.58Å; R74-K78 VanDerWaalsContact O-N 3.12Å; L75-K78 PolarHBondContact O-N 3.24Å; E76-K78 PolarHBondContact O-N 2.93Å; K78-Q81 PolarHBondContact O-N 2.88Å; K78-Q82 WeakPolarHBondContact O-CG 3.21Å; K78-Q82 PolarHBondContact O-N 3.27Å; K78-Q82 VanDerWaalsContact O-N 3.12Å
79	R	86.5	Confident	85	Confident	116 Å²	116	67.7 Å²	67.7	44%	0.438	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-52	175.3	-178.6	-179.3	73.1	179.6	11.7	110.6	L75 E76 Q81 Q82 D83	L75-R79 PolarHBondContact O-N 2.76Å; E76-R79 VanDerWaalsContact CD-CZ 3.43Å; E76-R79 WeakPolarHBondContact O-CB 3.48Å; E76-R79 PolarHBondContact O-N 3.43Å; E76-R79 VanDerWaalsContact O-N 3.12Å; E76-R79 IonicContact OE1-CZ 2.92Å; E76-R79 IonicContact OE1-NE 3.47Å; E76-R79 PolarHBondContact OE1-NE 3.43Å; E76-R79 IonicContact OE1-NH2 2.88Å; E76-R79 PolarHBondContact OE1-NH2 2.6Å; E76-R79 IonicContact OE2-CZ 3.8Å; E76-R79 IonicContact OE2-NE 3.27Å; E76-R79 PolarHBondContact OE2-NE 3.23Å; E76-R79 IonicContact OE2-NH1 3.66Å; E76-R79 PolarHBondContact OE2-NH1 3.5Å; E76-R79 IonicContact OE2-NH2 2.78Å; E76-R79 PolarHBondContact OE2-NH2 2.83Å; R79-Q81 VanDerWaalsContact C-N 3.29Å; R79-Q81 PolarHBondContact O-N 3.47Å; R79-Q82 WeakPolarHBondContact O-CA 3.15Å; R79-Q82 WeakPolarHBondContact O-CB 3.44Å; R79-Q82 PolarHBondContact O-N 2.86Å; R79-D83 VanDerWaalsContact O-CG 3.27Å; R79-D83 PolarHBondContact O-N 2.94Å
80	M	83.6	Confident	85.3	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-53.5	-43.5	177.3	-75.8	-178.3	72.3	0	0	112.6	L34 I38 E76 V77 D83 V84 Y97 E100 V101 I104	L34-M80 HydrophobicContact CD2-CE 3.31Å; L34-M80 HydrophobicContact CD2-CG 4.19Å; L34-M80 HydrophobicContact CD2-SD 3.57Å; L34-M80 VanDerWaalsContact CD2-SD 3.57Å; I38-M80 HydrophobicContact CD1-SD 4.19Å; E76-M80 HydrophobicContact CG-SD 4.34Å; E76-M80 WeakPolarHBondContact O-CB 3.2Å; E76-M80 VanDerWaalsContact O-CG 3.3Å; E76-M80 WeakPolarHBondContact O-CG 3.22Å; E76-M80 PolarHBondContact O-N 2.91Å; V77-M80 PolarHBondContact O-N 2.81Å; M80-D83 PolarHBondContact O-N 2.97Å; M80-V84 WeakPolarHBondContact O-CG2 3.44Å; M80-V84 PolarHBondContact O-N 3.06Å; M80-V84 VanDerWaalsContact O-N 3.08Å; M80-Y97 HydrophobicContact CB-CE1 3.88Å; M80-Y97 HydrophobicContact CE-CD1 4.34Å; M80-Y97 HydrophobicContact CE-CE1 3.66Å; M80-Y97 HydrophobicContact CG-CE1 4.23Å; M80-E100 HydrophobicContact CE-CG 4.47Å; M80-V101 HydrophobicContact CB-CG2 3.78Å; M80-V101 HydrophobicContact CE-CG2 3.85Å; M80-I104 HydrophobicContact CE-CD1 3.7Å; M80-I104 HydrophobicContact SD-CD1 3.55Å; M80-I104 VanDerWaalsContact SD-CD1 3.55Å
81	Q	88.7	Confident	85.5	Confident	61 Å²	61	79.8 Å²	79.8	29%	0.285	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-42.8	175.3	-76	173.2	-22.4	0	0	112.9	V77 K78 R79 S85 V101	V77-Q81 VanDerWaalsContact O-CG 3.29Å; V77-Q81 WeakPolarHBondContact O-CG 3.33Å; V77-Q81 PolarHBondContact O-N 3.24Å; K78-Q81 PolarHBondContact O-N 2.88Å; R79-Q81 VanDerWaalsContact C-N 3.29Å; R79-Q81 PolarHBondContact O-N 3.47Å; Q81-S85 WeakPolarHBondContact O-CB 3.41Å; Q81-S85 PolarHBondContact O-N 3.32Å; Q81-S85 VanDerWaalsContact O-N 3.13Å; Q81-S85 PolarHBondContact O-OG 3.46Å; Q81-V101 HydrophobicContact CG-CG1 3.42Å; Q81-V101 VanDerWaalsContact CG-CG1 3.42Å
82	Q	89.7	Confident	85.6	Confident	77 Å²	77	81.3 Å²	81.3	36%	0.36	38%	0.384	S	S	.	.	H	α-helix	trans	-67.5	-39.1	177.9	-70.2	175.3	-9.8	0	0	111.5	K78 R79 S85 R86	K78-Q82 WeakPolarHBondContact O-CG 3.21Å; K78-Q82 PolarHBondContact O-N 3.27Å; K78-Q82 VanDerWaalsContact O-N 3.12Å; R79-Q82 WeakPolarHBondContact O-CA 3.15Å; R79-Q82 WeakPolarHBondContact O-CB 3.44Å; R79-Q82 PolarHBondContact O-N 2.86Å; Q82-S85 PolarHBondContact O-N 3.21Å; Q82-R86 WeakPolarHBondContact O-CB 3.38Å; Q82-R86 VanDerWaalsContact O-CG 3.27Å; Q82-R86 WeakPolarHBondContact O-CG 3.49Å; Q82-R86 PolarHBondContact O-N 3.24Å
83	D	84.1	Confident	85.5	Confident	66 Å²	66	84.1 Å²	84.1	35%	0.353	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-46.7	179.2	-68.9	-15	0	0	0	110.8	R79 M80 S85 R86 S87	R79-D83 VanDerWaalsContact O-CG 3.27Å; R79-D83 PolarHBondContact O-N 2.94Å; M80-D83 PolarHBondContact O-N 2.97Å; D83-S85 VanDerWaalsContact C-N 3.32Å; D83-S85 PolarHBondContact O-N 3.15Å; D83-R86 PolarHBondContact O-N 2.83Å; D83-S87 WeakPolarHBondContact O-CB 3.38Å; D83-S87 PolarHBondContact O-N 3Å; D83-S87 PolarHBondContact O-OG 2.88Å
84	V	84.6	Confident	85.7	Confident	16 Å²	16	84.7 Å²	84.7	10%	0.097	40%	0.402	C	S	.	.	H	α-helix	trans	-59.1	-46	174	177.9	0	0	0	0	111.1	M80 R86 S87 A94 Y97 M98	M80-V84 WeakPolarHBondContact O-CG2 3.44Å; M80-V84 PolarHBondContact O-N 3.06Å; M80-V84 VanDerWaalsContact O-N 3.08Å; V84-R86 PolarHBondContact O-N 2.96Å; V84-S87 PolarHBondContact O-N 3.36Å; V84-S87 PolarHBondContact O-OG 3.48Å; V84-A94 HydrophobicContact CG1-CB 4.19Å; V84-Y97 HydrophobicContact CB-CD1 4.48Å; V84-Y97 HydrophobicContact CG2-CD1 2.97Å; V84-Y97 HydrophobicContact CG2-CD2 4.08Å; V84-Y97 HydrophobicContact CG2-CE1 3.38Å; V84-Y97 HydrophobicContact CG2-CE2 4.4Å; V84-Y97 HydrophobicContact CG2-CG 3.37Å; V84-M98 HydrophobicContact CB-SD 4.08Å; V84-M98 HydrophobicContact CG1-CG 3.9Å; V84-M98 HydrophobicContact CG1-SD 4.06Å; V84-M98 HydrophobicContact CG2-SD 4.14Å
85	S	85.5	Confident	85.6	Confident	103 Å²	103	80.3 Å²	80.3	72%	0.72	39%	0.391	S	S	*	.	H	α-helix	trans	-63.5	-28.8	-177.9	-56	0	0	0	0	113.1	Q81 Q82 D83	Q81-S85 WeakPolarHBondContact O-CB 3.41Å; Q81-S85 PolarHBondContact O-N 3.32Å; Q81-S85 VanDerWaalsContact O-N 3.13Å; Q81-S85 PolarHBondContact O-OG 3.46Å; Q82-S85 PolarHBondContact O-N 3.21Å; D83-S85 VanDerWaalsContact C-N 3.32Å; D83-S85 PolarHBondContact O-N 3.15Å
86	R	88.2	Confident	85.4	Confident	193 Å²	193	76 Å²	76	73%	0.728	37%	0.369	S	S	*	.	H	α-helix	trans	-90.8	-23.5	178.1	-70.6	171.7	178	178.2	-0.8	113	Q82 D83 V84	Q82-R86 WeakPolarHBondContact O-CB 3.38Å; Q82-R86 VanDerWaalsContact O-CG 3.27Å; Q82-R86 WeakPolarHBondContact O-CG 3.49Å; Q82-R86 PolarHBondContact O-N 3.24Å; D83-R86 PolarHBondContact O-N 2.83Å; V84-R86 PolarHBondContact O-N 2.96Å
87	S	81.3	Confident	85.4	Confident	44 Å²	44	77.8 Å²	77.8	31%	0.308	38%	0.375	S	S	.	.	S	Bend	trans	-71.6	146.2	-177.9	74.9	0	0	0	0	111.4	D83 V84 L89	D83-S87 WeakPolarHBondContact O-CB 3.38Å; D83-S87 PolarHBondContact O-N 3Å; D83-S87 PolarHBondContact O-OG 2.88Å; V84-S87 PolarHBondContact O-N 3.36Å; V84-S87 PolarHBondContact O-OG 3.48Å; S87-L89 PolarHBondContact O-N 3.48Å; S87-L89 WeakPolarHBondContact OG-CD1 3.43Å; S87-L89 VanDerWaalsContact OG-CG 3.3Å; S87-L89 WeakPolarHBondContact OG-CG 3.44Å
88	K	85.9	Confident	85.4	Confident	210 Å²	210	79.7 Å²	79.7	91%	0.913	38%	0.384	S	S	*	.			trans	-92.9	39.9	169.7	-62.9	-177	-179.8	-179.9	0	110.6
89	L	81	Confident	85.2	Confident	66 Å²	66	79.3 Å²	79.3	35%	0.346	39%	0.387	S	S	.	.			trans	-66.1	142.3	179.5	-70.4	172.7	0	0	0	109.9	S87 E93 A94 Y97	S87-L89 PolarHBondContact O-N 3.48Å; S87-L89 WeakPolarHBondContact OG-CD1 3.43Å; S87-L89 VanDerWaalsContact OG-CG 3.3Å; S87-L89 WeakPolarHBondContact OG-CG 3.44Å; L89-E93 HydrophobicContact CB-CB 4.26Å; L89-E93 WeakPolarHBondContact CD2-OE2 3.42Å; L89-A94 HydrophobicContact CB-CB 4.16Å; L89-Y97 HydrophobicContact CD1-CD2 4.44Å
90	P	86.9	Confident	84.9	Confident	75 Å²	75	74.8 Å²	74.8	49%	0.487	37%	0.371	S	S	.	.			trans	-52.7	149.2	167.5	-23.5	33	0	0	0	111.4	L92 E93 A94	P90-L92 VanDerWaalsContact C-N 3.26Å; P90-L92 PolarHBondContact O-N 2.97Å; P90-L92 VanDerWaalsContact O-N 3.1Å; P90-E93 HydrophobicContact CB-CG 4.46Å; P90-E93 WeakPolarHBondContact CD-OE2 3.09Å; P90-E93 HydrophobicContact CG-CG 4.45Å; P90-E93 PolarHBondContact O-N 2.92Å; P90-A94 PolarHBondContact O-N 3.38Å
91	Y	87.4	Confident	85	Confident	200 Å²	200	74.8 Å²	74.8	78%	0.784	37%	0.371	S	S	*	.	H	α-helix	trans	-50	-42.5	-174.3	176.6	-98.4	0	0	0	113.9	S95	Y91-S95 VanDerWaalsContact O-CB 3.3Å; Y91-S95 WeakPolarHBondContact O-CB 3.28Å; Y91-S95 PolarHBondContact O-N 3.48Å; Y91-S95 PolarHBondContact O-OG 2.86Å
92	L	86.5	Confident	85	Confident	92 Å²	92	75.6 Å²	75.6	48%	0.482	37%	0.374	S	S	.	.	H	α-helix	trans	-66.2	-45.2	179.9	-178.1	60	0	0	0	112	I24 P90 S95 I96	I24-L92 HydrophobicContact CD1-CD2 3.6Å; I24-L92 HydrophobicContact CD1-CG 3.96Å; P90-L92 VanDerWaalsContact C-N 3.26Å; P90-L92 PolarHBondContact O-N 2.97Å; P90-L92 VanDerWaalsContact O-N 3.1Å; L92-S95 PolarHBondContact O-N 3.17Å; L92-I96 HydrophobicContact CD1-CD1 4.03Å; L92-I96 HydrophobicContact CD1-CG1 4.42Å; L92-I96 HydrophobicContact CG-CD1 3.92Å; L92-I96 WeakPolarHBondContact O-CD1 3.48Å; L92-I96 VanDerWaalsContact O-CG1 3.27Å; L92-I96 WeakPolarHBondContact O-CG1 3.29Å; L92-I96 PolarHBondContact O-N 3.32Å
93	E	80.6	Confident	84.8	Confident	69 Å²	69	73.9 Å²	73.9	32%	0.322	37%	0.365	S	S	.	.	H	α-helix	trans	-65.4	-43.4	178.6	-62.8	-174.7	-176.2	0	0	111.4	L27 L89 P90 S95 I96 Y97	L27-E93 HydrophobicContact CD1-CB 4.37Å; L27-E93 HydrophobicContact CD1-CG 3.75Å; L89-E93 HydrophobicContact CB-CB 4.26Å; L89-E93 WeakPolarHBondContact CD2-OE2 3.42Å; P90-E93 HydrophobicContact CB-CG 4.46Å; P90-E93 WeakPolarHBondContact CD-OE2 3.09Å; P90-E93 HydrophobicContact CG-CG 4.45Å; P90-E93 PolarHBondContact O-N 2.92Å; E93-S95 VanDerWaalsContact C-N 3.31Å; E93-S95 PolarHBondContact O-N 3.12Å; E93-I96 PolarHBondContact O-N 2.85Å; E93-Y97 WeakPolarHBondContact O-CB 3.5Å; E93-Y97 PolarHBondContact O-N 2.79Å
94	A	85.6	Confident	84.7	Confident	21 Å²	21	71 Å²	71	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-60.2	-41.5	174.4	0	0	0	0	0	111.7	V84 L89 P90 Y97 M98	V84-A94 HydrophobicContact CG1-CB 4.19Å; L89-A94 HydrophobicContact CB-CB 4.16Å; P90-A94 PolarHBondContact O-N 3.38Å; A94-Y97 PolarHBondContact O-N 3.36Å; A94-M98 WeakPolarHBondContact O-CG 3.25Å; A94-M98 PolarHBondContact O-N 3.46Å
95	S	86.3	Confident	84.9	Confident	38 Å²	38	76 Å²	76	27%	0.266	37%	0.366	S	S	.	.	H	α-helix	trans	-65	-44.8	178	-62.1	0	0	0	0	111.9	Y91 L92 E93 M98 L99	Y91-S95 VanDerWaalsContact O-CB 3.3Å; Y91-S95 WeakPolarHBondContact O-CB 3.28Å; Y91-S95 PolarHBondContact O-N 3.48Å; Y91-S95 PolarHBondContact O-OG 2.86Å; L92-S95 PolarHBondContact O-N 3.17Å; E93-S95 VanDerWaalsContact C-N 3.31Å; E93-S95 PolarHBondContact O-N 3.12Å; S95-M98 PolarHBondContact O-N 3.01Å; S95-L99 WeakPolarHBondContact O-CG 3.15Å; S95-L99 PolarHBondContact O-N 2.85Å
96	I	82	Confident	84.9	Confident	12 Å²	12	78 Å²	78	6%	0.062	36%	0.359	C	S	.	.	H	α-helix	trans	-64.2	-41.7	177.2	-67.1	161.2	0	0	0	110.8	I20 I24 L28 L31 L92 E93 M98 L99 E100	I20-I96 HydrophobicContact CD1-CD1 4.12Å; I24-I96 HydrophobicContact CD1-CD1 3.45Å; I24-I96 VanDerWaalsContact CD1-CD1 3.45Å; I24-I96 HydrophobicContact CG2-CD1 3.71Å; L28-I96 HydrophobicContact CD2-CG2 4.23Å; L31-I96 HydrophobicContact CD1-CG2 3.56Å; L92-I96 HydrophobicContact CD1-CD1 4.03Å; L92-I96 HydrophobicContact CD1-CG1 4.42Å; L92-I96 HydrophobicContact CG-CD1 3.92Å; L92-I96 WeakPolarHBondContact O-CD1 3.48Å; L92-I96 VanDerWaalsContact O-CG1 3.27Å; L92-I96 WeakPolarHBondContact O-CG1 3.29Å; L92-I96 PolarHBondContact O-N 3.32Å; E93-I96 PolarHBondContact O-N 2.85Å; I96-M98 PolarHBondContact O-N 3.44Å; I96-L99 WeakPolarHBondContact O-CB 3.42Å; I96-L99 PolarHBondContact O-N 3.49Å; I96-E100 PolarHBondContact O-N 3.44Å
97	Y	80.9	Confident	84.5	Confident	49 Å²	49	70 Å²	70	19%	0.192	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-46.2	175.2	-162.2	-59.3	0	0	0	110.7	M80 V84 L89 E93 A94 L99 E100 V101	M80-Y97 HydrophobicContact CB-CE1 3.88Å; M80-Y97 HydrophobicContact CE-CD1 4.34Å; M80-Y97 HydrophobicContact CE-CE1 3.66Å; M80-Y97 HydrophobicContact CG-CE1 4.23Å; V84-Y97 HydrophobicContact CB-CD1 4.48Å; V84-Y97 HydrophobicContact CG2-CD1 2.97Å; V84-Y97 HydrophobicContact CG2-CD2 4.08Å; V84-Y97 HydrophobicContact CG2-CE1 3.38Å; V84-Y97 HydrophobicContact CG2-CE2 4.4Å; V84-Y97 HydrophobicContact CG2-CG 3.37Å; L89-Y97 HydrophobicContact CD1-CD2 4.44Å; E93-Y97 WeakPolarHBondContact O-CB 3.5Å; E93-Y97 PolarHBondContact O-N 2.79Å; A94-Y97 PolarHBondContact O-N 3.36Å; Y97-L99 VanDerWaalsContact C-N 3.33Å; Y97-L99 PolarHBondContact O-N 2.99Å; Y97-E100 WeakPolarHBondContact O-CB 3.45Å; Y97-E100 PolarHBondContact O-N 3.5Å; Y97-E100 VanDerWaalsContact O-N 3.13Å; Y97-V101 HydrophobicContact CD1-CG2 3.97Å; Y97-V101 HydrophobicContact CE1-CG2 4.02Å; Y97-V101 PolarHBondContact O-N 3.29Å; Y97-V101 VanDerWaalsContact O-N 3.08Å
98	M	87.2	Confident	84.7	Confident	51 Å²	51	68.9 Å²	68.9	25%	0.251	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-34.5	177.4	-76	-56.9	-61	0	0	113.2	V84 A94 S95 I96 E100 V101 H102	V84-M98 HydrophobicContact CB-SD 4.08Å; V84-M98 HydrophobicContact CG1-CG 3.9Å; V84-M98 HydrophobicContact CG1-SD 4.06Å; V84-M98 HydrophobicContact CG2-SD 4.14Å; A94-M98 WeakPolarHBondContact O-CG 3.25Å; A94-M98 PolarHBondContact O-N 3.46Å; S95-M98 PolarHBondContact O-N 3.01Å; I96-M98 PolarHBondContact O-N 3.44Å; M98-E100 VanDerWaalsContact C-N 3.26Å; M98-E100 PolarHBondContact O-N 3.31Å; M98-V101 HydrophobicContact CE-CG1 4.32Å; M98-V101 WeakPolarHBondContact O-CB 3.43Å; M98-V101 PolarHBondContact O-N 2.88Å; M98-V101 HydrophobicContact SD-CB 4.48Å; M98-V101 HydrophobicContact SD-CG2 4.37Å; M98-H102 PolarHBondContact O-CD2 2.92Å; M98-H102 PolarHBondContact O-N 3.3Å
99	L	87.1	Confident	84.5	Confident	107 Å²	107	62.8 Å²	62.8	56%	0.56	30%	0.304	S	S	*	.	H	α-helix	trans	-58.9	-39.7	172.8	-75.4	172.5	0	0	0	111.5	S95 I96 Y97 H102 R103	S95-L99 WeakPolarHBondContact O-CG 3.15Å; S95-L99 PolarHBondContact O-N 2.85Å; I96-L99 WeakPolarHBondContact O-CB 3.42Å; I96-L99 PolarHBondContact O-N 3.49Å; Y97-L99 VanDerWaalsContact C-N 3.33Å; Y97-L99 PolarHBondContact O-N 2.99Å; L99-H102 PolarHBondContact O-N 2.98Å; L99-R103 WeakPolarHBondContact O-CB 3.26Å; L99-R103 PolarHBondContact O-N 2.88Å
100	E	79.4	Confident	84.5	Confident	21 Å²	21	61.8 Å²	61.8	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-69.8	-40.7	176.8	-173.8	65.3	-174.1	0	0	112.4	L31 M80 I96 Y97 M98 H102 R103 I104	L31-E100 HydrophobicContact CB-CG 4.24Å; L31-E100 HydrophobicContact CD2-CB 3.55Å; L31-E100 HydrophobicContact CD2-CG 3.61Å; L31-E100 HydrophobicContact CG-CB 4.49Å; L31-E100 HydrophobicContact CG-CG 4.48Å; M80-E100 HydrophobicContact CE-CG 4.47Å; I96-E100 PolarHBondContact O-N 3.44Å; Y97-E100 WeakPolarHBondContact O-CB 3.45Å; Y97-E100 PolarHBondContact O-N 3.5Å; Y97-E100 VanDerWaalsContact O-N 3.13Å; M98-E100 VanDerWaalsContact C-N 3.26Å; M98-E100 PolarHBondContact O-N 3.31Å; E100-H102 VanDerWaalsContact C-N 3.27Å; E100-H102 PolarHBondContact O-N 3.35Å; E100-R103 VanDerWaalsContact CD-NE 3.33Å; E100-R103 WeakPolarHBondContact O-CB 3.33Å; E100-R103 PolarHBondContact O-N 2.76Å; E100-R103 VanDerWaalsContact O-N 3.11Å; E100-R103 IonicContact OE1-CZ 3.23Å; E100-R103 IonicContact OE1-NE 2.68Å; E100-R103 PolarHBondContact OE1-NE 2.97Å; E100-R103 IonicContact OE1-NH2 3.6Å; E100-R103 PolarHBondContact OE1-NH2 3.03Å; E100-R103 IonicContact OE2-CZ 3.17Å; E100-R103 IonicContact OE2-NE 3.21Å; E100-R103 PolarHBondContact OE2-NE 3.12Å; E100-R103 IonicContact OE2-NH2 2.6Å; E100-I104 HydrophobicContact CG-CD1 4.24Å; E100-I104 WeakPolarHBondContact O-CG1 3.38Å; E100-I104 PolarHBondContact O-N 2.84Å
101	V	85.9	Confident	84.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-54.4	-47.2	170.8	168.4	0	0	0	0	110.6	V77 M80 Q81 Y97 M98 R103 I104 R105	V77-V101 HydrophobicContact CG1-CG1 4.15Å; M80-V101 HydrophobicContact CB-CG2 3.78Å; M80-V101 HydrophobicContact CE-CG2 3.85Å; Q81-V101 HydrophobicContact CG-CG1 3.42Å; Q81-V101 VanDerWaalsContact CG-CG1 3.42Å; Y97-V101 HydrophobicContact CD1-CG2 3.97Å; Y97-V101 HydrophobicContact CE1-CG2 4.02Å; Y97-V101 PolarHBondContact O-N 3.29Å; Y97-V101 VanDerWaalsContact O-N 3.08Å; M98-V101 HydrophobicContact CE-CG1 4.32Å; M98-V101 WeakPolarHBondContact O-CB 3.43Å; M98-V101 PolarHBondContact O-N 2.88Å; M98-V101 HydrophobicContact SD-CB 4.48Å; M98-V101 HydrophobicContact SD-CG2 4.37Å; V101-R103 VanDerWaalsContact C-N 3.32Å; V101-R103 PolarHBondContact O-N 3.45Å; V101-I104 PolarHBondContact O-N 3.01Å; V101-R105 WeakPolarHBondContact O-CB 3.46Å; V101-R105 PolarHBondContact O-N 3.12Å
102	H	89	Confident	83.8	Confident	78 Å²	78	52 Å²	52	36%	0.361	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-37.7	177.9	-70.6	-48.9	0	0	0	112.1	M98 L99 E100 R105 Y106	M98-H102 PolarHBondContact O-CD2 2.92Å; M98-H102 PolarHBondContact O-N 3.3Å; L99-H102 PolarHBondContact O-N 2.98Å; E100-H102 VanDerWaalsContact C-N 3.27Å; E100-H102 PolarHBondContact O-N 3.35Å; H102-R105 PolarHBondContact ND1-NH2 3.28Å; H102-R105 PolarHBondContact O-N 2.99Å; H102-Y106 WeakPolarHBondContact O-CB 3.22Å; H102-Y106 PolarHBondContact O-N 2.92Å
103	R	85	Confident	83.1	Confident	41 Å²	41	51 Å²	51	16%	0.155	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-47.7	175.4	-165.6	-177.3	74.2	85.9	-8.7	111.8	L99 E100 V101 R105 Y106 M107	L99-R103 WeakPolarHBondContact O-CB 3.26Å; L99-R103 PolarHBondContact O-N 2.88Å; E100-R103 VanDerWaalsContact CD-NE 3.33Å; E100-R103 WeakPolarHBondContact O-CB 3.33Å; E100-R103 PolarHBondContact O-N 2.76Å; E100-R103 VanDerWaalsContact O-N 3.11Å; E100-R103 IonicContact OE1-CZ 3.23Å; E100-R103 IonicContact OE1-NE 2.68Å; E100-R103 PolarHBondContact OE1-NE 2.97Å; E100-R103 IonicContact OE1-NH2 3.6Å; E100-R103 PolarHBondContact OE1-NH2 3.03Å; E100-R103 IonicContact OE2-CZ 3.17Å; E100-R103 IonicContact OE2-NE 3.21Å; E100-R103 PolarHBondContact OE2-NE 3.12Å; E100-R103 IonicContact OE2-NH2 2.6Å; V101-R103 VanDerWaalsContact C-N 3.32Å; V101-R103 PolarHBondContact O-N 3.45Å; R103-R105 VanDerWaalsContact C-N 3.33Å; R103-R105 PolarHBondContact O-N 3.05Å; R103-Y106 PolarHBondContact O-N 2.73Å; R103-M107 WeakPolarHBondContact O-CG 3.5Å; R103-M107 PolarHBondContact O-N 2.97Å
104	I	82.9	Confident	82.9	Confident	5 Å²	5	48 Å²	48	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-44.5	176.4	-61.7	159.6	0	0	0	110.3	L35 V73 V77 M80 E100 V101 Y106 M107 L108	L35-I104 HydrophobicContact CD1-CD1 4.19Å; L35-I104 HydrophobicContact CD1-CG1 3.49Å; L35-I104 VanDerWaalsContact CD1-CG1 3.49Å; L35-I104 HydrophobicContact CD2-CG1 4.16Å; L35-I104 HydrophobicContact CD2-CG2 4.41Å; L35-I104 HydrophobicContact CG-CD1 4.07Å; L35-I104 HydrophobicContact CG-CG1 3.79Å; V73-I104 HydrophobicContact CG1-CG2 3.69Å; V77-I104 HydrophobicContact CG2-CB 3.92Å; V77-I104 HydrophobicContact CG2-CG2 3.31Å; M80-I104 HydrophobicContact CE-CD1 3.7Å; M80-I104 HydrophobicContact SD-CD1 3.55Å; M80-I104 VanDerWaalsContact SD-CD1 3.55Å; E100-I104 HydrophobicContact CG-CD1 4.24Å; E100-I104 WeakPolarHBondContact O-CG1 3.38Å; E100-I104 PolarHBondContact O-N 2.84Å; V101-I104 PolarHBondContact O-N 3.01Å; I104-Y106 PolarHBondContact O-N 3.16Å; I104-M107 WeakPolarHBondContact O-CB 3.36Å; I104-M107 PolarHBondContact O-N 2.92Å; I104-L108 PolarHBondContact O-N 3.18Å
105	R	87.8	Confident	82.5	Confident	120 Å²	120	51.8 Å²	51.8	45%	0.453	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-44.7	178.5	-171.1	178	68.8	172.1	1.4	112	V101 H102 R103 M107 L108 C109	V101-R105 WeakPolarHBondContact O-CB 3.46Å; V101-R105 PolarHBondContact O-N 3.12Å; H102-R105 PolarHBondContact ND1-NH2 3.28Å; H102-R105 PolarHBondContact O-N 2.99Å; R103-R105 VanDerWaalsContact C-N 3.33Å; R103-R105 PolarHBondContact O-N 3.05Å; R105-M107 VanDerWaalsContact C-N 3.31Å; R105-M107 PolarHBondContact O-N 3.36Å; R105-L108 WeakPolarHBondContact O-CB 3.32Å; R105-L108 PolarHBondContact O-N 2.86Å; R105-C109 PolarHBondContact O-N 3.49Å; R105-C109 PolarHBondContact O-SG 3.42Å; R105-C109 VanDerWaalsContact O-SG 3.34Å
106	Y	85.2	Confident	82.1	Confident	145 Å²	145	56.7 Å²	56.7	57%	0.569	26%	0.261	S	S	*	.	H	α-helix	trans	-59	-45.2	175.3	173	-95.7	0	0	0	111.3	H102 R103 I104 L108 C109 N110	H102-Y106 WeakPolarHBondContact O-CB 3.22Å; H102-Y106 PolarHBondContact O-N 2.92Å; R103-Y106 PolarHBondContact O-N 2.73Å; I104-Y106 PolarHBondContact O-N 3.16Å; Y106-L108 VanDerWaalsContact C-N 3.32Å; Y106-L108 PolarHBondContact O-N 2.78Å; Y106-C109 PolarHBondContact O-N 2.8Å; Y106-N110 WeakPolarHBondContact O-CB 3.11Å; Y106-N110 PolarHBondContact O-N 3.34Å
107	M	81.2	Confident	82	Confident	26 Å²	26	57.5 Å²	57.5	13%	0.128	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-43.8	175.3	-76.2	-164.5	-54.8	0	0	111.4	F5 L35 W53 R103 I104 R105 N110 Y111	F5-M107 HydrophobicContact CE1-CE 4Å; F5-M107 HydrophobicContact CE1-SD 3.71Å; F5-M107 HydrophobicContact CZ-CE 4.14Å; F5-M107 HydrophobicContact CZ-SD 3.62Å; L35-M107 HydrophobicContact CD1-CE 3.42Å; L35-M107 VanDerWaalsContact CD1-CE 3.42Å; L35-M107 HydrophobicContact CD2-CE 4.37Å; W53-M107 VanDerWaalsContact CH2-C 3.41Å; W53-M107 HydrophobicContact CH2-CB 4.12Å; W53-M107 VanDerWaalsContact CH2-O 3.25Å; W53-M107 WeakPolarHBondContact CH2-O 3.44Å; W53-M107 VanDerWaalsContact CZ2-C 3.42Å; W53-M107 HydrophobicContact CZ2-CB 3.67Å; W53-M107 WeakPolarHBondContact CZ2-O 3.36Å; R103-M107 WeakPolarHBondContact O-CG 3.5Å; R103-M107 PolarHBondContact O-N 2.97Å; I104-M107 WeakPolarHBondContact O-CB 3.36Å; I104-M107 PolarHBondContact O-N 2.92Å; R105-M107 VanDerWaalsContact C-N 3.31Å; R105-M107 PolarHBondContact O-N 3.36Å; M107-N110 CarbonylContact O-C 3.56Å; M107-N110 PolarHBondContact O-N 2.96Å; M107-Y111 PolarHBondContact O-N 2.93Å
108	L	84	Confident	82.1	Confident	20 Å²	20	55.1 Å²	55.1	11%	0.105	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-45.7	175.9	-172	63.7	0	0	0	112.8	W53 V70 V73 R74 I104 R105 Y106 N110 Y111 L112	W53-L108 HydrophobicContact CH2-CB 4.49Å; W53-L108 HydrophobicContact CH2-CD1 4.43Å; W53-L108 HydrophobicContact CZ3-CD1 4.26Å; V70-L108 HydrophobicContact CG1-CD1 4.26Å; V73-L108 HydrophobicContact CB-CD1 4.32Å; V73-L108 HydrophobicContact CG1-CB 4.42Å; V73-L108 HydrophobicContact CG1-CD1 4.17Å; V73-L108 HydrophobicContact CG1-CD2 4.25Å; R74-L108 HydrophobicContact CB-CD2 4.38Å; I104-L108 PolarHBondContact O-N 3.18Å; R105-L108 WeakPolarHBondContact O-CB 3.32Å; R105-L108 PolarHBondContact O-N 2.86Å; Y106-L108 VanDerWaalsContact C-N 3.32Å; Y106-L108 PolarHBondContact O-N 2.78Å; L108-N110 PolarHBondContact O-N 3.18Å; L108-Y111 WeakPolarHBondContact O-CB 3.49Å; L108-Y111 PolarHBondContact O-N 3.39Å; L108-Y111 VanDerWaalsContact O-N 3.12Å; L108-L112 HydrophobicContact CG-CD1 4.43Å; L108-L112 WeakPolarHBondContact O-CG 3.11Å; L108-L112 PolarHBondContact O-N 3.32Å; L108-L112 VanDerWaalsContact O-N 3.13Å
109	C	83.7	Confident	81.9	Confident	83 Å²	83	53.8 Å²	53.8	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-59.7	-39.1	173.9	-64.6	0	0	0	0	111.7	R105 Y106 Y111 L112	R105-C109 PolarHBondContact O-N 3.49Å; R105-C109 PolarHBondContact O-SG 3.42Å; R105-C109 VanDerWaalsContact O-SG 3.34Å; Y106-C109 PolarHBondContact O-N 2.8Å; C109-Y111 VanDerWaalsContact C-N 3.31Å; C109-Y111 PolarHBondContact O-N 3.48Å; C109-L112 PolarHBondContact O-N 3.3Å
110	N	80.1	Confident	81.7	Confident	44 Å²	44	50.5 Å²	50.5	24%	0.235	23%	0.229	C	C	.	.	H	α-helix	trans	-75	-17	178.2	-168.8	39.2	0	0	0	113.6	Y106 M107 L108 R113	Y106-N110 WeakPolarHBondContact O-CB 3.11Å; Y106-N110 PolarHBondContact O-N 3.34Å; M107-N110 CarbonylContact O-C 3.56Å; M107-N110 PolarHBondContact O-N 2.96Å; L108-N110 PolarHBondContact O-N 3.18Å; N110-R113 PolarHBondContact ND2-NH2 3.45Å; N110-R113 WeakPolarHBondContact O-CD 3.36Å; N110-R113 WeakPolarHBondContact O-CG 3.34Å; N110-R113 PolarHBondContact O-NE 3.26Å; N110-R113 PolarHBondContact OD1-NE 3.24Å; N110-R113 PolarHBondContact OD1-NH2 3.43Å
111	Y	79.8	Confident	81.9	Confident	11 Å²	11	49.7 Å²	49.7	4%	0.043	23%	0.225	C	C	.	.	H	α-helix	trans	-76.8	-40.7	168.6	177	-88.7	0	0	0	110.2	W53 E56 Q66 L69 V70 M107 L108 C109 R113	W53-Y111 AromaticContact CD2-CD2 3.81Å; W53-Y111 HydrophobicContact CD2-CD2 3.81Å; W53-Y111 HydrophobicContact CD2-CG 4.47Å; W53-Y111 AromaticContact CE3-CD2 3.53Å; W53-Y111 HydrophobicContact CE3-CD2 3.53Å; W53-Y111 HydrophobicContact CE3-CE2 4.2Å; W53-Y111 AromaticContact CE3-CG 3.93Å; W53-Y111 HydrophobicContact CE3-CG 3.93Å; W53-Y111 HydrophobicContact CG-CD2 4.4Å; W53-Y111 HydrophobicContact CH2-CD2 4.43Å; W53-Y111 HydrophobicContact CH2-CG 4.15Å; W53-Y111 AromaticContact CZ3-CD2 3.89Å; W53-Y111 HydrophobicContact CZ3-CD2 3.89Å; W53-Y111 AromaticContact CZ3-CG 3.78Å; W53-Y111 HydrophobicContact CZ3-CG 3.78Å; E56-Y111 HydrophobicContact CB-CD2 3.72Å; E56-Y111 HydrophobicContact CB-CE2 3.32Å; E56-Y111 HydrophobicContact CG-CD2 3.81Å; E56-Y111 HydrophobicContact CG-CE2 3.48Å; E56-Y111 VanDerWaalsContact CG-CE2 3.48Å; E56-Y111 HydrophobicContact CG-CG 4.45Å; E56-Y111 PolarHBondContact OE2-OH 2.89Å; Q66-Y111 WeakPolarHBondContact CB-OH 3.49Å; Q66-Y111 WeakPolarHBondContact CG-OH 3.45Å; L69-Y111 HydrophobicContact CD2-CE2 4.31Å; V70-Y111 HydrophobicContact CG2-CD1 3.94Å; V70-Y111 HydrophobicContact CG2-CE1 3.63Å; M107-Y111 PolarHBondContact O-N 2.93Å; L108-Y111 WeakPolarHBondContact O-CB 3.49Å; L108-Y111 PolarHBondContact O-N 3.39Å; L108-Y111 VanDerWaalsContact O-N 3.12Å; C109-Y111 VanDerWaalsContact C-N 3.31Å; C109-Y111 PolarHBondContact O-N 3.48Å; Y111-R113 PolarHBondContact O-N 3.38Å
112	L	79.4	Confident	81.7	Confident	58 Å²	58	50.3 Å²	50.3	30%	0.304	23%	0.229	S	C	.	.			trans	-79.1	50.8	179.6	-59.7	172.6	0	0	0	112.8	V70 L108 C109 I114 E138	V70-L112 HydrophobicContact CG1-CD2 4.42Å; V70-L112 HydrophobicContact CG2-CD2 4.16Å; L108-L112 HydrophobicContact CG-CD1 4.43Å; L108-L112 WeakPolarHBondContact O-CG 3.11Å; L108-L112 PolarHBondContact O-N 3.32Å; L108-L112 VanDerWaalsContact O-N 3.13Å; C109-L112 PolarHBondContact O-N 3.3Å; L112-I114 PolarHBondContact O-N 3.18Å; L112-E138 WeakPolarHBondContact CD2-OE1 3.45Å
113	R	72.8	Confident	81.3	Confident	72 Å²	72	50.1 Å²	50.1	27%	0.272	24%	0.237	S	C	.	.			trans	-73.8	42.6	-176.5	-81.2	165.2	176.5	-175.4	5.4	114.6	L57 N110 Y111 E115 K116	L57-R113 PolarHBondContact O-NH1 3.36Å; L57-R113 VanDerWaalsContact O-NH1 3.16Å; N110-R113 PolarHBondContact ND2-NH2 3.45Å; N110-R113 WeakPolarHBondContact O-CD 3.36Å; N110-R113 WeakPolarHBondContact O-CG 3.34Å; N110-R113 PolarHBondContact O-NE 3.26Å; N110-R113 PolarHBondContact OD1-NE 3.24Å; N110-R113 PolarHBondContact OD1-NH2 3.43Å; Y111-R113 PolarHBondContact O-N 3.38Å; R113-E115 PolarHBondContact O-N 2.81Å; R113-K116 PolarHBondContact O-N 3.38Å
114	I	74.7	Confident	81	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.036	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-62.8	-36.7	-177.3	-64.1	159.1	0	0	0	110.9	L112 K116 H117 V118 L134 E138 Y141 M142	L112-I114 PolarHBondContact O-N 3.18Å; I114-K116 PolarHBondContact O-N 3.13Å; I114-K116 VanDerWaalsContact O-N 3.08Å; I114-H117 PolarHBondContact O-N 2.77Å; I114-V118 HydrophobicContact CG2-CG2 4.14Å; I114-V118 VanDerWaalsContact O-CG2 3.28Å; I114-V118 WeakPolarHBondContact O-CG2 3.4Å; I114-V118 PolarHBondContact O-N 3.12Å; I114-V118 VanDerWaalsContact O-N 3.17Å; I114-L134 HydrophobicContact CD1-CD2 4.26Å; I114-L134 HydrophobicContact CG1-CD2 4.07Å; I114-E138 HydrophobicContact CD1-CB 3.56Å; I114-E138 HydrophobicContact CD1-CG 3.41Å; I114-E138 VanDerWaalsContact CD1-CG 3.41Å; I114-Y141 HydrophobicContact CG2-CD1 4.42Å; I114-M142 HydrophobicContact CG2-CB 4.18Å; I114-M142 HydrophobicContact CG2-CG 4.46Å
115	E	77.7	Confident	80.6	Confident	100 Å²	100	55.1 Å²	55.1	47%	0.467	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-49.3	-38.9	-177.3	-64.6	-180	168.4	0	0	113.8	R113 H117 Y141 Y145	R113-E115 PolarHBondContact O-N 2.81Å; E115-H117 VanDerWaalsContact C-N 3.28Å; E115-H117 PolarHBondContact O-N 3Å; E115-Y141 HydrophobicContact CG-CE1 4.31Å; E115-Y141 PolarHBondContact OE1-OH 2.9Å; E115-Y145 HydrophobicContact CB-CE1 4.43Å; E115-Y145 HydrophobicContact CG-CD2 4.38Å; E115-Y145 HydrophobicContact CG-CE2 3.94Å
116	K	78.2	Confident	79.8	Confident	141 Å²	141	53.4 Å²	53.4	61%	0.613	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-70.7	-25	-178.3	-66.9	-173.1	178.4	-175.6	0	113.4	R113 I114	R113-K116 PolarHBondContact O-N 3.38Å; I114-K116 PolarHBondContact O-N 3.13Å; I114-K116 VanDerWaalsContact O-N 3.08Å
117	H	79.2	Confident	79.2	Confident	28 Å²	28	48.9 Å²	48.9	13%	0.13	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-110.5	0.8	-172	-59.6	-66.6	0	0	0	112.7	I114 E115 F119 Y120 L121	I114-H117 PolarHBondContact O-N 2.77Å; E115-H117 VanDerWaalsContact C-N 3.28Å; E115-H117 PolarHBondContact O-N 3Å; H117-F119 PolarHBondContact O-N 2.9Å; H117-Y120 PolarHBondContact O-N 3.39Å; H117-L121 HydrophobicContact CB-CD1 3.58Å; H117-L121 HydrophobicContact CB-CG 3.91Å; H117-L121 WeakPolarHBondContact O-CB 3.18Å; H117-L121 WeakPolarHBondContact O-CG 3.32Å; H117-L121 PolarHBondContact O-N 3.13Å
118	V	84.1	Confident	78.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-52.7	-49	-172.9	172.3	0	0	0	0	113.2	I114 L121 S122 M142 Y145 K146	I114-V118 HydrophobicContact CG2-CG2 4.14Å; I114-V118 VanDerWaalsContact O-CG2 3.28Å; I114-V118 WeakPolarHBondContact O-CG2 3.4Å; I114-V118 PolarHBondContact O-N 3.12Å; I114-V118 VanDerWaalsContact O-N 3.17Å; V118-L121 PolarHBondContact O-N 2.93Å; V118-S122 VanDerWaalsContact O-CB 3.29Å; V118-S122 WeakPolarHBondContact O-CB 3.46Å; V118-S122 PolarHBondContact O-N 3.19Å; V118-M142 HydrophobicContact CB-CG 4.28Å; V118-M142 HydrophobicContact CG1-CG 3.83Å; V118-M142 HydrophobicContact CG2-CG 4.13Å; V118-Y145 HydrophobicContact CB-CD1 4.17Å; V118-Y145 HydrophobicContact CG1-CD1 4.1Å; V118-Y145 HydrophobicContact CG2-CD1 3.67Å; V118-Y145 HydrophobicContact CG2-CE1 4.14Å; V118-Y145 HydrophobicContact CG2-CG 4.44Å; V118-K146 HydrophobicContact CG1-CB 3.72Å; V118-K146 HydrophobicContact CG1-CG 4.43Å
119	F	83.6	Confident	78.4	Confident	23 Å²	23	54.6 Å²	54.6	10%	0.101	32%	0.317	C	S	.	.	H	α-helix	trans	-69.3	-40.7	-176.2	-66.2	-73.4	0	0	0	112.4	H117 S123 K146 I149 L173	H117-F119 PolarHBondContact O-N 2.9Å; F119-S123 PolarHBondContact O-N 3.47Å; F119-S123 VanDerWaalsContact O-N 3.17Å; F119-K146 HydrophobicContact CE1-CG 4.25Å; F119-I149 HydrophobicContact CE2-CG2 4.43Å; F119-I149 HydrophobicContact CZ-CB 4.15Å; F119-I149 HydrophobicContact CZ-CG2 3.73Å; F119-L173 HydrophobicContact CD1-CD2 4.01Å; F119-L173 HydrophobicContact CD1-CG 3.91Å; F119-L173 HydrophobicContact CD2-CD1 4.28Å; F119-L173 HydrophobicContact CD2-CD2 4.29Å; F119-L173 HydrophobicContact CD2-CG 3.87Å; F119-L173 HydrophobicContact CE1-CD2 3.39Å; F119-L173 HydrophobicContact CE1-CG 3.81Å; F119-L173 HydrophobicContact CE2-CD1 4.12Å; F119-L173 HydrophobicContact CE2-CD2 3.7Å; F119-L173 HydrophobicContact CE2-CG 3.77Å; F119-L173 HydrophobicContact CG-CD2 4.44Å; F119-L173 HydrophobicContact CG-CG 3.96Å; F119-L173 HydrophobicContact CZ-CD1 4.49Å; F119-L173 HydrophobicContact CZ-CD2 3.23Å; F119-L173 HydrophobicContact CZ-CG 3.75Å
120	Y	82.7	Confident	78.2	Confident	38 Å²	38	51.1 Å²	51.1	15%	0.149	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-47.5	173	173.4	-96.6	0	0	0	112.4	H117 S122 S123 Q124 S177 V179 Y181	H117-Y120 PolarHBondContact O-N 3.39Å; Y120-S122 VanDerWaalsContact C-N 3.32Å; Y120-S122 PolarHBondContact O-N 2.92Å; Y120-S123 WeakPolarHBondContact O-CB 3.48Å; Y120-S123 PolarHBondContact O-N 3.42Å; Y120-S123 VanDerWaalsContact O-N 3.15Å; Y120-S123 PolarHBondContact O-OG 2.79Å; Y120-Q124 HydrophobicContact CE1-CG 4.24Å; Y120-Q124 WeakPolarHBondContact O-CG 3.46Å; Y120-Q124 PolarHBondContact O-N 2.88Å; Y120-S177 WeakPolarHBondContact CB-O 3.42Å; Y120-S177 PolarHBondContact N-OG 3.25Å; Y120-V179 HydrophobicContact CD1-CB 4.24Å; Y120-V179 HydrophobicContact CD1-CG2 3.32Å; Y120-V179 HydrophobicContact CD2-CB 4.25Å; Y120-V179 HydrophobicContact CD2-CG2 3.92Å; Y120-V179 HydrophobicContact CE1-CB 4.06Å; Y120-V179 HydrophobicContact CE1-CG2 3.56Å; Y120-V179 HydrophobicContact CE2-CB 4.05Å; Y120-V179 HydrophobicContact CE2-CG2 4.11Å; Y120-V179 HydrophobicContact CG-CB 4.33Å; Y120-V179 HydrophobicContact CG-CG2 3.52Å; Y120-Y181 PolarHBondContact OH-OH 3.45Å
121	L	83	Confident	78	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-38.6	-179.6	-68.8	169.1	0	0	0	111.4	L62 H117 V118 S123 Q124 E125 L130 L133 L134 M142	L62-L121 HydrophobicContact CD2-CD1 3.92Å; L62-L121 HydrophobicContact CD2-CD2 4.44Å; H117-L121 HydrophobicContact CB-CD1 3.58Å; H117-L121 HydrophobicContact CB-CG 3.91Å; H117-L121 WeakPolarHBondContact O-CB 3.18Å; H117-L121 WeakPolarHBondContact O-CG 3.32Å; H117-L121 PolarHBondContact O-N 3.13Å; V118-L121 PolarHBondContact O-N 2.93Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 2.88Å; L121-Q124 CarbonylContact O-C 3.55Å; L121-Q124 WeakPolarHBondContact O-CA 3.24Å; L121-Q124 WeakPolarHBondContact O-CB 3.41Å; L121-Q124 PolarHBondContact O-N 3.47Å; L121-E125 PolarHBondContact O-N 3.36Å; L121-L130 HydrophobicContact CB-CD1 4.37Å; L121-L130 HydrophobicContact CD2-CD1 4.24Å; L121-L130 WeakPolarHBondContact O-CD1 3.25Å; L121-L133 HydrophobicContact CD2-CD1 4.21Å; L121-L134 HydrophobicContact CD1-CD1 4.27Å; L121-M142 HydrophobicContact CB-SD 3.54Å; L121-M142 VanDerWaalsContact CB-SD 3.54Å; L121-M142 HydrophobicContact CD1-SD 4.4Å
122	S	82.4	Confident	78.1	Confident	13 Å²	13	55.1 Å²	55.1	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-32.6	175.8	-168.3	0	0	0	0	112.5	V118 Y120 Q124 E125 K146	V118-S122 VanDerWaalsContact O-CB 3.29Å; V118-S122 WeakPolarHBondContact O-CB 3.46Å; V118-S122 PolarHBondContact O-N 3.19Å; Y120-S122 VanDerWaalsContact C-N 3.32Å; Y120-S122 PolarHBondContact O-N 2.92Å; S122-Q124 PolarHBondContact O-N 3.28Å; S122-E125 WeakPolarHBondContact CA-OE1 3.36Å; S122-E125 WeakPolarHBondContact CB-OE1 3.48Å; S122-E125 WeakPolarHBondContact O-CG 3.17Å; S122-E125 PolarHBondContact O-N 3.09Å; S122-E125 PolarHBondContact OG-OE1 3.49Å; S122-K146 WeakPolarHBondContact OG-CD 3.44Å; S122-K146 PolarHBondContact OG-NZ 3.05Å
123	S	79.6	Confident	78.2	Confident	74 Å²	74	53.9 Å²	53.9	52%	0.517	33%	0.325	S	S	.	.	H	α-helix	trans	-66.3	-19.9	172.3	79.3	0	0	0	0	113.6	F119 Y120 L121	F119-S123 PolarHBondContact O-N 3.47Å; F119-S123 VanDerWaalsContact O-N 3.17Å; Y120-S123 WeakPolarHBondContact O-CB 3.48Å; Y120-S123 PolarHBondContact O-N 3.42Å; Y120-S123 VanDerWaalsContact O-N 3.15Å; Y120-S123 PolarHBondContact O-OG 2.79Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 2.88Å
124	Q	78.6	Confident	78.7	Confident	69 Å²	69	50.7 Å²	50.7	32%	0.322	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	6.4	-178	-64.3	-68.5	-18.9	0	0	113.3	Y120 L121 S122 G126 S127 L130	Y120-Q124 HydrophobicContact CE1-CG 4.24Å; Y120-Q124 WeakPolarHBondContact O-CG 3.46Å; Y120-Q124 PolarHBondContact O-N 2.88Å; L121-Q124 CarbonylContact O-C 3.55Å; L121-Q124 WeakPolarHBondContact O-CA 3.24Å; L121-Q124 WeakPolarHBondContact O-CB 3.41Å; L121-Q124 PolarHBondContact O-N 3.47Å; S122-Q124 PolarHBondContact O-N 3.28Å; Q124-G126 PolarHBondContact O-N 3.03Å; Q124-S127 WeakPolarHBondContact O-CB 3.28Å; Q124-S127 PolarHBondContact O-N 3.14Å; Q124-S127 PolarHBondContact O-OG 3.24Å; Q124-L130 HydrophobicContact CB-CD1 4.28Å
125	E	75.5	Confident	79.3	Confident	83 Å²	83	52.1 Å²	52.1	39%	0.388	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-55.3	-27.1	-178	-81.1	175	-149.1	0	0	113.3	L121 S122 L130 M142	L121-E125 PolarHBondContact O-N 3.36Å; S122-E125 WeakPolarHBondContact CA-OE1 3.36Å; S122-E125 WeakPolarHBondContact CB-OE1 3.48Å; S122-E125 WeakPolarHBondContact O-CG 3.17Å; S122-E125 PolarHBondContact O-N 3.09Å; S122-E125 PolarHBondContact OG-OE1 3.49Å; E125-L130 HydrophobicContact CG-CD2 3.94Å; E125-M142 HydrophobicContact CG-CE 4.36Å; E125-M142 WeakPolarHBondContact OE1-CE 3.38Å
126	G	70.8	Confident	79.7	Confident	84 Å²	84	51.3 Å²	51.3	87%	0.866	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-81	-8.9	176.1	0	0	0	0	0	115.9	Q124 G128	Q124-G126 PolarHBondContact O-N 3.03Å; G126-G128 PolarHBondContact O-N 3.26Å
127	S	72.1	Confident	80.1	Confident	49 Å²	49	52.2 Å²	52.2	34%	0.343	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-84	-7.2	-170.7	68.2	0	0	0	0	114.8	Q124 L129	Q124-S127 WeakPolarHBondContact O-CB 3.28Å; Q124-S127 PolarHBondContact O-N 3.14Å; Q124-S127 PolarHBondContact O-OG 3.24Å; S127-L129 PolarHBondContact O-N 2.86Å
128	G	74.3	Confident	80.5	Confident	65 Å²	65	52 Å²	52	67%	0.67	34%	0.338	S	S	*	.	S	Bend	trans	69	-17.7	-175.5	0	0	0	0	0	115.2	G126 L130	G126-G128 PolarHBondContact O-N 3.26Å; G128-L130 PolarHBondContact O-N 3.28Å
129	L	74.9	Confident	80.7	Confident	101 Å²	101	54.5 Å²	54.5	53%	0.529	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.8	179.1	-73.3	157	0	0	0	113.5	S127 G131 T132	S127-L129 PolarHBondContact O-N 2.86Å; L129-G131 PolarHBondContact O-N 3.45Å; L129-T132 PolarHBondContact O-N 2.91Å; L129-T132 PolarHBondContact O-OG1 3.05Å
130	L	77.9	Confident	81	Confident	10 Å²	10	60 Å²	60	5%	0.052	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-31.1	-176.2	-130.4	74.7	0	0	0	112.8	L121 Q124 E125 G128 T132 L133 L134 M139 M142	L121-L130 HydrophobicContact CB-CD1 4.37Å; L121-L130 HydrophobicContact CD2-CD1 4.24Å; L121-L130 WeakPolarHBondContact O-CD1 3.25Å; Q124-L130 HydrophobicContact CB-CD1 4.28Å; E125-L130 HydrophobicContact CG-CD2 3.94Å; G128-L130 PolarHBondContact O-N 3.28Å; L130-T132 VanDerWaalsContact C-N 3.29Å; L130-T132 PolarHBondContact O-N 3.17Å; L130-L133 PolarHBondContact O-N 3.41Å; L130-L134 HydrophobicContact CD2-CD1 4.3Å; L130-L134 HydrophobicContact CG-CD1 4.14Å; L130-L134 PolarHBondContact O-N 3.15Å; L130-M139 HydrophobicContact CB-CE 4.43Å; L130-M139 HydrophobicContact CD2-CE 4.21Å; L130-M139 HydrophobicContact CD2-CG 4.48Å; L130-M142 HydrophobicContact CD2-CE 4.04Å
131	G	77	Confident	81.3	Confident	56 Å²	56	63 Å²	63	58%	0.577	39%	0.388	S	S	*	.	H	α-helix	trans	-70.8	-19.5	-179.2	0	0	0	0	0	114.5	L129	L129-G131 PolarHBondContact O-N 3.45Å
132	T	80.8	Confident	81.6	Confident	84 Å²	84	62.8 Å²	62.8	52%	0.515	39%	0.387	S	S	.	.	H	α-helix	trans	-88.3	-20.2	173.9	63	0	0	0	0	112.3	P64 Q65 L129 L130	P64-T132 WeakPolarHBondContact CA-O 3.42Å; Q65-T132 PolarHBondContact N-O 3.11Å; L129-T132 PolarHBondContact O-N 2.91Å; L129-T132 PolarHBondContact O-OG1 3.05Å; L130-T132 VanDerWaalsContact C-N 3.29Å; L130-T132 PolarHBondContact O-N 3.17Å
133	L	81.8	Confident	81.9	Confident	31 Å²	31	67.1 Å²	67.1	16%	0.162	41%	0.405	C	S	.	.	H	α-helix	trans	-94.5	-35	-177.5	-63.5	176	0	0	0	112.7	L62 L121 L130	L62-L133 HydrophobicContact CD2-CB 4.28Å; L121-L133 HydrophobicContact CD2-CD1 4.21Å; L130-L133 PolarHBondContact O-N 3.41Å
134	L	84.8	Confident	82.5	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.026	40%	0.398	C	S	.	.			trans	-131.2	142.8	-172.1	-59.5	174.6	0	0	0	112	L62 I114 L121 L130 E138 M142	L62-L134 HydrophobicContact CD2-CD2 3.58Å; L62-L134 HydrophobicContact CD2-CG 4.34Å; I114-L134 HydrophobicContact CD1-CD2 4.26Å; I114-L134 HydrophobicContact CG1-CD2 4.07Å; L121-L134 HydrophobicContact CD1-CD1 4.27Å; L130-L134 HydrophobicContact CD2-CD1 4.3Å; L130-L134 HydrophobicContact CG-CD1 4.14Å; L130-L134 PolarHBondContact O-N 3.15Å; L134-E138 WeakPolarHBondContact CA-OE2 3.34Å; L134-E138 HydrophobicContact CB-CB 4.15Å; L134-E138 HydrophobicContact CD2-CB 4.09Å; L134-M142 HydrophobicContact CD1-SD 3.96Å
135	T	86.3	Confident	83.1	Confident	37 Å²	37	66 Å²	66	23%	0.227	40%	0.395	C	S	.	.			trans	-69	164	163	32.1	0	0	0	0	111.3	Q65 V67 E137 E138 M139	Q65-T135 VanDerWaalsContact CD-N 3.32Å; Q65-T135 VanDerWaalsContact NE2-CB 3.3Å; Q65-T135 PolarHBondContact NE2-OG1 2.81Å; V67-T135 HydrophobicContact CG2-CG2 4.03Å; T135-E137 VanDerWaalsContact C-N 3.29Å; T135-E137 PolarHBondContact O-N 3.4Å; T135-E138 PolarHBondContact N-OE2 3.46Å; T135-E138 PolarHBondContact O-N 3.3Å; T135-E138 WeakPolarHBondContact OG1-CB 3.27Å; T135-E138 WeakPolarHBondContact OG1-CG 3.4Å; T135-E138 PolarHBondContact OG1-OE2 3.24Å; T135-M139 WeakPolarHBondContact O-CB 3.2Å; T135-M139 PolarHBondContact O-N 3.27Å
136	A	86.8	Confident	83.7	Confident	84 Å²	84	64.5 Å²	64.5	69%	0.694	39%	0.387	S	S	*	.	H	α-helix	trans	-55.5	-41.6	169.4	0	0	0	0	0	113	M139 Q140	A136-M139 PolarHBondContact O-N 2.82Å; A136-Q140 PolarHBondContact O-N 3.45Å
137	E	86.8	Confident	84.7	Confident	159 Å²	159	67.1 Å²	67.1	74%	0.743	38%	0.377	S	S	*	.	H	α-helix	trans	-62.6	-46	177.1	-64.8	-178.1	-177.4	0	0	111.5	T135 M139 Q140 Y141	T135-E137 VanDerWaalsContact C-N 3.29Å; T135-E137 PolarHBondContact O-N 3.4Å; E137-M139 VanDerWaalsContact C-N 3.33Å; E137-M139 PolarHBondContact O-N 3.48Å; E137-Q140 PolarHBondContact O-N 3.44Å; E137-Y141 WeakPolarHBondContact O-CB 3.42Å; E137-Y141 PolarHBondContact O-N 2.86Å
138	E	87.3	Confident	85.7	Confident	24 Å²	24	68.3 Å²	68.3	11%	0.112	39%	0.385	C	S	.	.	H	α-helix	trans	-65.6	-36.4	177.9	-71.3	170.2	158.5	0	0	112.2	Q65 L112 I114 L134 T135 Y141 M142	Q65-E138 VanDerWaalsContact CD-OE2 3.26Å; Q65-E138 PolarHBondContact NE2-OE1 2.9Å; Q65-E138 PolarHBondContact NE2-OE2 3.23Å; L112-E138 WeakPolarHBondContact CD2-OE1 3.45Å; I114-E138 HydrophobicContact CD1-CB 3.56Å; I114-E138 HydrophobicContact CD1-CG 3.41Å; I114-E138 VanDerWaalsContact CD1-CG 3.41Å; L134-E138 WeakPolarHBondContact CA-OE2 3.34Å; L134-E138 HydrophobicContact CB-CB 4.15Å; L134-E138 HydrophobicContact CD2-CB 4.09Å; T135-E138 PolarHBondContact N-OE2 3.46Å; T135-E138 PolarHBondContact O-N 3.3Å; T135-E138 WeakPolarHBondContact OG1-CB 3.27Å; T135-E138 WeakPolarHBondContact OG1-CG 3.4Å; T135-E138 PolarHBondContact OG1-OE2 3.24Å; E138-Y141 PolarHBondContact O-N 3.49Å; E138-M142 WeakPolarHBondContact O-CB 3.48Å; E138-M142 PolarHBondContact O-N 3.23Å
139	M	86.9	Confident	86.4	Confident	53 Å²	53	67.4 Å²	67.4	26%	0.261	37%	0.365	S	S	.	.	H	α-helix	trans	-66.9	-40.8	175.2	-168.6	-177	-57.1	0	0	111.7	L130 T135 A136 E137 M142 K143	L130-M139 HydrophobicContact CB-CE 4.43Å; L130-M139 HydrophobicContact CD2-CE 4.21Å; L130-M139 HydrophobicContact CD2-CG 4.48Å; T135-M139 WeakPolarHBondContact O-CB 3.2Å; T135-M139 PolarHBondContact O-N 3.27Å; A136-M139 PolarHBondContact O-N 2.82Å; E137-M139 VanDerWaalsContact C-N 3.33Å; E137-M139 PolarHBondContact O-N 3.48Å; M139-M142 PolarHBondContact O-N 3.36Å; M139-K143 WeakPolarHBondContact O-CG 3.44Å; M139-K143 PolarHBondContact O-N 3.33Å; M139-K143 VanDerWaalsContact O-N 3.11Å
140	Q	90.2	Very high	86.9	Confident	138 Å²	138	65.7 Å²	65.7	65%	0.645	35%	0.354	S	S	*	.	H	α-helix	trans	-64.3	-43.4	173.9	-176.3	179.3	2.3	0	0	111.3	A136 E137 K143 S144	A136-Q140 PolarHBondContact O-N 3.45Å; E137-Q140 PolarHBondContact O-N 3.44Å; Q140-K143 PolarHBondContact O-N 2.78Å; Q140-S144 WeakPolarHBondContact O-CB 2.92Å; Q140-S144 PolarHBondContact O-N 3.21Å; Q140-S144 PolarHBondContact O-OG 3.27Å
141	Y	89.9	Confident	87.5	Confident	100 Å²	100	67.2 Å²	67.2	39%	0.392	37%	0.365	S	S	.	.	H	α-helix	trans	-60	-47.8	174.8	175.1	-96.2	0	0	0	111.4	I114 E115 E137 E138 K143 S144 Y145	I114-Y141 HydrophobicContact CG2-CD1 4.42Å; E115-Y141 HydrophobicContact CG-CE1 4.31Å; E115-Y141 PolarHBondContact OE1-OH 2.9Å; E137-Y141 WeakPolarHBondContact O-CB 3.42Å; E137-Y141 PolarHBondContact O-N 2.86Å; E138-Y141 PolarHBondContact O-N 3.49Å; Y141-K143 VanDerWaalsContact C-N 3.34Å; Y141-K143 PolarHBondContact O-N 2.9Å; Y141-S144 PolarHBondContact O-N 3.41Å; Y141-Y145 WeakPolarHBondContact O-CB 3.39Å; Y141-Y145 PolarHBondContact O-N 2.95Å
142	M	88.2	Confident	88.1	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-54.7	-47.9	177.7	-178.1	-169.1	75.7	0	0	111.9	I114 V118 L121 E125 L130 L134 E138 M139 Y145 K146	I114-M142 HydrophobicContact CG2-CB 4.18Å; I114-M142 HydrophobicContact CG2-CG 4.46Å; V118-M142 HydrophobicContact CB-CG 4.28Å; V118-M142 HydrophobicContact CG1-CG 3.83Å; V118-M142 HydrophobicContact CG2-CG 4.13Å; L121-M142 HydrophobicContact CB-SD 3.54Å; L121-M142 VanDerWaalsContact CB-SD 3.54Å; L121-M142 HydrophobicContact CD1-SD 4.4Å; E125-M142 HydrophobicContact CG-CE 4.36Å; E125-M142 WeakPolarHBondContact OE1-CE 3.38Å; L130-M142 HydrophobicContact CD2-CE 4.04Å; L134-M142 HydrophobicContact CD1-SD 3.96Å; E138-M142 WeakPolarHBondContact O-CB 3.48Å; E138-M142 PolarHBondContact O-N 3.23Å; M139-M142 PolarHBondContact O-N 3.36Å; M142-Y145 PolarHBondContact O-N 2.95Å; M142-K146 WeakPolarHBondContact O-CB 3.29Å; M142-K146 PolarHBondContact O-N 3.39Å
143	K	90	Very high	88.3	Confident	104 Å²	104	69.3 Å²	69.3	45%	0.452	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-45.7	178.1	-72.8	177.5	179.1	-178.6	0	111.9	M139 Q140 Y141 Y145 K146 Q147	M139-K143 WeakPolarHBondContact O-CG 3.44Å; M139-K143 PolarHBondContact O-N 3.33Å; M139-K143 VanDerWaalsContact O-N 3.11Å; Q140-K143 PolarHBondContact O-N 2.78Å; Y141-K143 VanDerWaalsContact C-N 3.34Å; Y141-K143 PolarHBondContact O-N 2.9Å; K143-Y145 PolarHBondContact O-N 3.47Å; K143-K146 PolarHBondContact O-N 3.17Å; K143-Q147 WeakPolarHBondContact O-CB 3.46Å; K143-Q147 PolarHBondContact O-N 3.25Å
144	S	92.1	Very high	88.4	Confident	55 Å²	55	73.7 Å²	73.7	39%	0.385	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-40.2	-179.9	-52.8	0	0	0	0	111.6	Q140 Y141 S148	Q140-S144 WeakPolarHBondContact O-CB 2.92Å; Q140-S144 PolarHBondContact O-N 3.21Å; Q140-S144 PolarHBondContact O-OG 3.27Å; Y141-S144 PolarHBondContact O-N 3.41Å; S144-S148 WeakPolarHBondContact O-CB 3.34Å; S144-S148 PolarHBondContact O-N 2.99Å; S144-S148 PolarHBondContact O-OG 3.09Å
145	Y	90.8	Very high	88.5	Confident	63 Å²	63	79.5 Å²	79.5	25%	0.247	39%	0.394	C	S	.	.	H	α-helix	trans	-65.5	-49.1	176.5	-176.2	-91.2	0	0	0	111.4	E115 V118 Y141 M142 K143 Q147 S148 I149	E115-Y145 HydrophobicContact CB-CE1 4.43Å; E115-Y145 HydrophobicContact CG-CD2 4.38Å; E115-Y145 HydrophobicContact CG-CE2 3.94Å; V118-Y145 HydrophobicContact CB-CD1 4.17Å; V118-Y145 HydrophobicContact CG1-CD1 4.1Å; V118-Y145 HydrophobicContact CG2-CD1 3.67Å; V118-Y145 HydrophobicContact CG2-CE1 4.14Å; V118-Y145 HydrophobicContact CG2-CG 4.44Å; Y141-Y145 WeakPolarHBondContact O-CB 3.39Å; Y141-Y145 PolarHBondContact O-N 2.95Å; M142-Y145 PolarHBondContact O-N 2.95Å; K143-Y145 PolarHBondContact O-N 3.47Å; Y145-Q147 VanDerWaalsContact C-N 3.34Å; Y145-Q147 PolarHBondContact O-N 3.07Å; Y145-S148 WeakPolarHBondContact O-CB 3.24Å; Y145-S148 PolarHBondContact O-N 3.38Å; Y145-S148 VanDerWaalsContact O-N 3.11Å; Y145-I149 HydrophobicContact CD1-CG1 4.04Å; Y145-I149 HydrophobicContact CE1-CD1 4.24Å; Y145-I149 HydrophobicContact CE1-CG1 3.68Å; Y145-I149 WeakPolarHBondContact O-CG1 3.28Å; Y145-I149 PolarHBondContact O-N 3.17Å
146	K	88.9	Confident	88.5	Confident	53 Å²	53	80.2 Å²	80.2	23%	0.23	40%	0.399	C	S	.	.	H	α-helix	trans	-53.6	-51.8	175.7	-178.2	-177.1	173.1	-174.4	0	111.2	V118 F119 S122 M142 K143 S148 I149 E150	V118-K146 HydrophobicContact CG1-CB 3.72Å; V118-K146 HydrophobicContact CG1-CG 4.43Å; F119-K146 HydrophobicContact CE1-CG 4.25Å; S122-K146 WeakPolarHBondContact OG-CD 3.44Å; S122-K146 PolarHBondContact OG-NZ 3.05Å; M142-K146 WeakPolarHBondContact O-CB 3.29Å; M142-K146 PolarHBondContact O-N 3.39Å; K143-K146 PolarHBondContact O-N 3.17Å; K146-S148 VanDerWaalsContact C-N 3.27Å; K146-S148 PolarHBondContact O-N 3.47Å; K146-I149 PolarHBondContact O-N 3.42Å; K146-E150 WeakPolarHBondContact CE-OE1 3.46Å; K146-E150 HydrophobicContact CG-CG 4.38Å; K146-E150 WeakPolarHBondContact O-CB 3.47Å; K146-E150 WeakPolarHBondContact O-CG 3.07Å; K146-E150 PolarHBondContact O-N 3.39Å
147	Q	91.1	Very high	88.3	Confident	138 Å²	138	78.3 Å²	78.3	65%	0.645	38%	0.378	S	S	*	.	H	α-helix	trans	-60	-38.1	179.2	-173.8	-179.8	9.1	0	0	112.1	K143 Y145 S151	K143-Q147 WeakPolarHBondContact O-CB 3.46Å; K143-Q147 PolarHBondContact O-N 3.25Å; Y145-Q147 VanDerWaalsContact C-N 3.34Å; Y145-Q147 PolarHBondContact O-N 3.07Å; Q147-S151 VanDerWaalsContact O-CB 3.29Å; Q147-S151 WeakPolarHBondContact O-CB 3.17Å; Q147-S151 PolarHBondContact O-N 3.08Å
148	S	92.3	Very high	87.7	Confident	75 Å²	75	72.8 Å²	72.8	52%	0.524	35%	0.352	S	S	.	.	H	α-helix	trans	-65.1	-44	177.3	-60.7	0	0	0	0	111.8	S144 Y145 K146 Y152	S144-S148 WeakPolarHBondContact O-CB 3.34Å; S144-S148 PolarHBondContact O-N 2.99Å; S144-S148 PolarHBondContact O-OG 3.09Å; Y145-S148 WeakPolarHBondContact O-CB 3.24Å; Y145-S148 PolarHBondContact O-N 3.38Å; Y145-S148 VanDerWaalsContact O-N 3.11Å; K146-S148 VanDerWaalsContact C-N 3.27Å; K146-S148 PolarHBondContact O-N 3.47Å; S148-Y152 VanDerWaalsContact O-CB 3.31Å; S148-Y152 WeakPolarHBondContact O-CB 3.45Å; S148-Y152 PolarHBondContact O-N 3.35Å
149	I	88.9	Confident	87.1	Confident	46 Å²	46	81 Å²	81	24%	0.236	38%	0.383	C	S	.	.	H	α-helix	trans	-66.1	-45.7	176.5	-62.2	-64.8	0	0	0	111	F119 Y145 K146 S151 Y152 L153	F119-I149 HydrophobicContact CE2-CG2 4.43Å; F119-I149 HydrophobicContact CZ-CB 4.15Å; F119-I149 HydrophobicContact CZ-CG2 3.73Å; Y145-I149 HydrophobicContact CD1-CG1 4.04Å; Y145-I149 HydrophobicContact CE1-CD1 4.24Å; Y145-I149 HydrophobicContact CE1-CG1 3.68Å; Y145-I149 WeakPolarHBondContact O-CG1 3.28Å; Y145-I149 PolarHBondContact O-N 3.17Å; K146-I149 PolarHBondContact O-N 3.42Å; I149-S151 PolarHBondContact O-N 3.17Å; I149-Y152 PolarHBondContact O-N 2.93Å; I149-L153 HydrophobicContact CG2-CD1 3.85Å; I149-L153 HydrophobicContact CG2-CG 4.23Å; I149-L153 WeakPolarHBondContact O-CB 3.43Å; I149-L153 WeakPolarHBondContact O-CG 3.41Å; I149-L153 PolarHBondContact O-N 2.92Å
150	E	86.5	Confident	86.7	Confident	65 Å²	65	84.9 Å²	84.9	30%	0.304	40%	0.404	S	S	.	.	H	α-helix	trans	-60	-46	177.6	-72.4	176.9	160.8	0	0	111.2	K146 Y152 L153 E154 L170	K146-E150 WeakPolarHBondContact CE-OE1 3.46Å; K146-E150 HydrophobicContact CG-CG 4.38Å; K146-E150 WeakPolarHBondContact O-CB 3.47Å; K146-E150 WeakPolarHBondContact O-CG 3.07Å; K146-E150 PolarHBondContact O-N 3.39Å; E150-Y152 VanDerWaalsContact C-N 3.33Å; E150-Y152 PolarHBondContact O-N 2.76Å; E150-L153 PolarHBondContact O-N 3.25Å; E150-E154 WeakPolarHBondContact O-CB 3.39Å; E150-E154 PolarHBondContact O-N 2.92Å; E150-L170 HydrophobicContact CG-CD2 4.13Å
151	S	89.5	Confident	86.2	Confident	41 Å²	41	81 Å²	81	29%	0.287	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-37.7	176.3	-172.1	0	0	0	0	112.6	Q147 I149 K155	Q147-S151 VanDerWaalsContact O-CB 3.29Å; Q147-S151 WeakPolarHBondContact O-CB 3.17Å; Q147-S151 PolarHBondContact O-N 3.08Å; I149-S151 PolarHBondContact O-N 3.17Å; S151-K155 VanDerWaalsContact O-CG 3.3Å; S151-K155 WeakPolarHBondContact O-CG 3.39Å; S151-K155 PolarHBondContact O-N 2.96Å; S151-K155 VanDerWaalsContact O-N 3.14Å; S151-K155 PolarHBondContact OG-NZ 3.11Å
152	Y	89.5	Confident	85.7	Confident	150 Å²	150	80.3 Å²	80.3	59%	0.588	40%	0.395	S	S	*	.	H	α-helix	trans	-66	-47.5	176.4	178.5	-99	0	0	0	111.6	S148 I149 E150 E154 K155 T156	S148-Y152 VanDerWaalsContact O-CB 3.31Å; S148-Y152 WeakPolarHBondContact O-CB 3.45Å; S148-Y152 PolarHBondContact O-N 3.35Å; I149-Y152 PolarHBondContact O-N 2.93Å; E150-Y152 VanDerWaalsContact C-N 3.33Å; E150-Y152 PolarHBondContact O-N 2.76Å; Y152-E154 VanDerWaalsContact C-N 3.33Å; Y152-E154 PolarHBondContact O-N 2.77Å; Y152-K155 PolarHBondContact O-N 2.88Å; Y152-T156 HydrophobicContact CD2-CG2 4.17Å; Y152-T156 HydrophobicContact CE1-CG2 4.19Å; Y152-T156 HydrophobicContact CE2-CG2 3.76Å; Y152-T156 WeakPolarHBondContact O-CB 3.2Å; Y152-T156 WeakPolarHBondContact O-CG2 3.35Å; Y152-T156 PolarHBondContact O-N 3.4Å; Y152-T156 PolarHBondContact O-OG1 2.77Å
153	L	86.3	Confident	85.1	Confident	35 Å²	35	91.4 Å²	91.4	18%	0.183	44%	0.437	C	S	.	.	H	α-helix	trans	-62.9	-40.4	177.1	-71.6	175.1	0	0	0	111.3	I149 E150 K155 T156 V157 H158 L173	I149-L153 HydrophobicContact CG2-CD1 3.85Å; I149-L153 HydrophobicContact CG2-CG 4.23Å; I149-L153 WeakPolarHBondContact O-CB 3.43Å; I149-L153 WeakPolarHBondContact O-CG 3.41Å; I149-L153 PolarHBondContact O-N 2.92Å; E150-L153 PolarHBondContact O-N 3.25Å; L153-K155 VanDerWaalsContact C-N 3.32Å; L153-K155 PolarHBondContact O-N 2.94Å; L153-T156 PolarHBondContact O-N 3.36Å; L153-V157 HydrophobicContact CD2-CG2 3.91Å; L153-V157 WeakPolarHBondContact O-CA 3.22Å; L153-V157 WeakPolarHBondContact O-CB 3.34Å; L153-V157 PolarHBondContact O-N 3.25Å; L153-H158 PolarHBondContact O-CD2 2.71Å; L153-H158 PolarHBondContact O-N 3.21Å; L153-H158 VanDerWaalsContact O-N 3.12Å; L153-L173 HydrophobicContact CD1-CD2 3.72Å
154	E	83.5	Confident	84.3	Confident	122 Å²	122	91.7 Å²	91.7	57%	0.57	45%	0.447	S	S	*	.	I	π-helix	trans	-58.8	-43.9	175.8	-171.1	-177	-174.7	0	0	111.8	E150 Y152	E150-E154 WeakPolarHBondContact O-CB 3.39Å; E150-E154 PolarHBondContact O-N 2.92Å; Y152-E154 VanDerWaalsContact C-N 3.33Å; Y152-E154 PolarHBondContact O-N 2.77Å
155	K	86.4	Confident	83.4	Confident	128 Å²	128	94.4 Å²	94.4	56%	0.557	45%	0.452	S	S	*	.	I	π-helix	trans	-72	-36.4	-179.4	-72.6	169.8	-176.4	167.4	0	113.5	S151 Y152 L153	S151-K155 VanDerWaalsContact O-CG 3.3Å; S151-K155 WeakPolarHBondContact O-CG 3.39Å; S151-K155 PolarHBondContact O-N 2.96Å; S151-K155 VanDerWaalsContact O-N 3.14Å; S151-K155 PolarHBondContact OG-NZ 3.11Å; Y152-K155 PolarHBondContact O-N 2.88Å; L153-K155 VanDerWaalsContact C-N 3.32Å; L153-K155 PolarHBondContact O-N 2.94Å
156	T	86.1	Confident	82.4	Confident	52 Å²	52	92.1 Å²	92.1	32%	0.319	45%	0.446	S	S	.	.	I	π-helix	trans	-98.3	-39.2	-170	53.6	0	0	0	0	113.5	Y152 L153 N160	Y152-T156 HydrophobicContact CD2-CG2 4.17Å; Y152-T156 HydrophobicContact CE1-CG2 4.19Å; Y152-T156 HydrophobicContact CE2-CG2 3.76Å; Y152-T156 WeakPolarHBondContact O-CB 3.2Å; Y152-T156 WeakPolarHBondContact O-CG2 3.35Å; Y152-T156 PolarHBondContact O-N 3.4Å; Y152-T156 PolarHBondContact O-OG1 2.77Å; L153-T156 PolarHBondContact O-N 3.36Å; T156-N160 PolarHBondContact O-ND2 2.9Å
157	V	82.3	Confident	81.4	Confident	43 Å²	43	93.5 Å²	93.5	26%	0.261	46%	0.462	S	S	.	.	I	π-helix	trans	-105.2	-51.3	-170.1	179.6	0	0	0	0	110.9	L153 R159 N160 I161	L153-V157 HydrophobicContact CD2-CG2 3.91Å; L153-V157 WeakPolarHBondContact O-CA 3.22Å; L153-V157 WeakPolarHBondContact O-CB 3.34Å; L153-V157 PolarHBondContact O-N 3.25Å; V157-R159 PolarHBondContact O-N 3.24Å; V157-R159 VanDerWaalsContact O-N 3.16Å; V157-N160 PolarHBondContact O-N 3.27Å; V157-I161 HydrophobicContact CG1-CD1 3.2Å; V157-I161 HydrophobicContact CG1-CG1 3.8Å; V157-I161 WeakPolarHBondContact O-CG1 3.29Å; V157-I161 PolarHBondContact O-N 3.47Å; V157-I161 VanDerWaalsContact O-N 3.14Å
158	H	74.5	Confident	80.4	Confident	44 Å²	44	91.4 Å²	91.4	20%	0.204	45%	0.453	C	S	.	.	I	π-helix	trans	-63.2	-28.4	-171.9	-75.4	-115.6	0	0	0	113.6	L153 N160 A166	L153-H158 PolarHBondContact O-CD2 2.71Å; L153-H158 PolarHBondContact O-N 3.21Å; L153-H158 VanDerWaalsContact O-N 3.12Å; H158-N160 PolarHBondContact O-N 2.81Å; H158-A166 PolarHBondContact CE1-O 3.42Å
159	R	76.4	Confident	79.2	Confident	197 Å²	197	89.9 Å²	89.9	74%	0.743	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.6	175.5	-65.4	-176.6	179.5	-175.4	-3	113.5	V157	V157-R159 PolarHBondContact O-N 3.24Å; V157-R159 VanDerWaalsContact O-N 3.16Å
160	N	77	Confident	78.2	Confident	133 Å²	133	90.5 Å²	90.5	71%	0.711	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-9.6	-172.7	-63.8	-38.9	0	0	0	113.2	T156 V157 H158	T156-N160 PolarHBondContact O-ND2 2.9Å; V157-N160 PolarHBondContact O-N 3.27Å; H158-N160 PolarHBondContact O-N 2.81Å
161	I	81	Confident	77.3	Confident	58 Å²	58	96.2 Å²	96.2	30%	0.297	46%	0.462	S	S	.	.	S	Bend	trans	-102.1	140	-176.7	-70.5	-164.8	0	0	0	110.7	V157 R163 F165	V157-I161 HydrophobicContact CG1-CD1 3.2Å; V157-I161 HydrophobicContact CG1-CG1 3.8Å; V157-I161 WeakPolarHBondContact O-CG1 3.29Å; V157-I161 PolarHBondContact O-N 3.47Å; V157-I161 VanDerWaalsContact O-N 3.14Å; I161-R163 PolarHBondContact O-N 2.92Å; I161-F165 HydrophobicContact CG2-CB 3.45Å; I161-F165 VanDerWaalsContact CG2-CB 3.45Å; I161-F165 HydrophobicContact CG2-CD2 4.31Å; I161-F165 HydrophobicContact CG2-CG 4.33Å
162	P	79.4	Confident	76.4	Confident	85 Å²	85	98 Å²	98	55%	0.552	47%	0.469	S	S	*	.			trans	-53.7	135.1	172.4	-24.5	32.5	0	0	0	112.1	V164 F165 A166	P162-V164 PolarHBondContact O-N 3.45Å; P162-F165 HydrophobicContact CB-CD2 4Å; P162-F165 HydrophobicContact CB-CE2 4.38Å; P162-F165 HydrophobicContact CG-CD2 4.19Å; P162-F165 HydrophobicContact CG-CE2 4.41Å; P162-F165 PolarHBondContact O-N 2.81Å; P162-A166 PolarHBondContact O-N 2.62Å
163	R	74.7	Confident	75.6	Confident	233 Å²	233	93.3 Å²	93.3	88%	0.879	45%	0.454	S	S	*	.	H	α-helix	trans	-49.6	-30.6	-171.1	-69.9	-176.8	178.9	-174.1	-0.1	115	I161 F165 A166	I161-R163 PolarHBondContact O-N 2.92Å; R163-F165 VanDerWaalsContact C-N 3.32Å; R163-F165 PolarHBondContact O-N 3.5Å; R163-A166 PolarHBondContact O-N 3.15Å
164	V	73.9	Confident	74.7	Confident	109 Å²	109	93.8 Å²	93.8	66%	0.661	46%	0.46	S	S	*	.	H	α-helix	trans	-57.2	-45.4	177.4	-177.6	0	0	0	0	111.1	P162 S167	P162-V164 PolarHBondContact O-N 3.45Å; V164-S167 PolarHBondContact O-OG 3.44Å
165	F	73.1	Confident	73.8	Confident	112 Å²	112	90.9 Å²	90.9	49%	0.491	45%	0.453	S	S	.	.	H	α-helix	trans	-81.1	-26.4	-177.5	-59	-70.2	0	0	0	112.8	I161 P162 R163 S167 Q168 T169	I161-F165 HydrophobicContact CG2-CB 3.45Å; I161-F165 VanDerWaalsContact CG2-CB 3.45Å; I161-F165 HydrophobicContact CG2-CD2 4.31Å; I161-F165 HydrophobicContact CG2-CG 4.33Å; P162-F165 HydrophobicContact CB-CD2 4Å; P162-F165 HydrophobicContact CB-CE2 4.38Å; P162-F165 HydrophobicContact CG-CD2 4.19Å; P162-F165 HydrophobicContact CG-CE2 4.41Å; P162-F165 PolarHBondContact O-N 2.81Å; R163-F165 VanDerWaalsContact C-N 3.32Å; R163-F165 PolarHBondContact O-N 3.5Å; F165-S167 VanDerWaalsContact C-N 3.3Å; F165-S167 PolarHBondContact O-N 3.19Å; F165-Q168 WeakPolarHBondContact O-CA 3.33Å; F165-Q168 WeakPolarHBondContact O-CB 3.4Å; F165-Q168 PolarHBondContact O-N 3.36Å; F165-T169 PolarHBondContact O-N 3.18Å; F165-T169 PolarHBondContact O-OG1 3.35Å
166	A	69.3	Low	72.7	Confident	16 Å²	16	88.5 Å²	88.5	13%	0.132	46%	0.458	C	S	.	.	H	α-helix	trans	-55.8	-42.9	-178.7	0	0	0	0	0	112.7	H158 P162 R163 Q168	H158-A166 PolarHBondContact CE1-O 3.42Å; P162-A166 PolarHBondContact O-N 2.62Å; R163-A166 PolarHBondContact O-N 3.15Å; A166-Q168 VanDerWaalsContact C-N 3.29Å; A166-Q168 PolarHBondContact O-N 3.11Å
167	S	68.3	Low	71.7	Confident	81 Å²	81	87.1 Å²	87.1	57%	0.566	45%	0.45	S	S	*	.	H	α-helix	trans	-71.7	-24.3	176.8	69.9	0	0	0	0	113.6	V164 F165	V164-S167 PolarHBondContact O-OG 3.44Å; F165-S167 VanDerWaalsContact C-N 3.3Å; F165-S167 PolarHBondContact O-N 3.19Å
168	Q	70.4	Confident	71	Confident	95 Å²	95	91.5 Å²	91.5	44%	0.444	47%	0.465	S	S	.	.	H	α-helix	trans	-83.3	-38.7	-177.4	-159.5	168	1.4	0	0	111.3	F165 A166 L170 R171 D172	F165-Q168 WeakPolarHBondContact O-CA 3.33Å; F165-Q168 WeakPolarHBondContact O-CB 3.4Å; F165-Q168 PolarHBondContact O-N 3.36Å; A166-Q168 VanDerWaalsContact C-N 3.29Å; A166-Q168 PolarHBondContact O-N 3.11Å; Q168-L170 VanDerWaalsContact C-N 3.31Å; Q168-L170 PolarHBondContact O-N 3.43Å; Q168-R171 PolarHBondContact O-N 3.45Å; Q168-D172 WeakPolarHBondContact O-CB 3.46Å; Q168-D172 VanDerWaalsContact O-CG 3.22Å; Q168-D172 PolarHBondContact O-N 2.83Å
169	T	66.4	Low	71	Confident	43 Å²	43	90.2 Å²	90.2	26%	0.264	46%	0.461	S	S	.	.	H	α-helix	trans	-53.4	-43.5	-179.6	-52.7	0	0	0	0	113.2	F165 L173	F165-T169 PolarHBondContact O-N 3.18Å; F165-T169 PolarHBondContact O-OG1 3.35Å; T169-L173 WeakPolarHBondContact O-CB 3.46Å; T169-L173 PolarHBondContact O-N 3.4Å
170	L	67.4	Low	71	Confident	58 Å²	58	86.9 Å²	86.9	30%	0.304	45%	0.453	S	S	.	.	H	α-helix	trans	-71.3	-36.2	179	-68.7	176.4	0	0	0	112.8	E150 Q168 L173 S174	E150-L170 HydrophobicContact CG-CD2 4.13Å; Q168-L170 VanDerWaalsContact C-N 3.31Å; Q168-L170 PolarHBondContact O-N 3.43Å; L170-L173 PolarHBondContact O-N 3.47Å; L170-S174 PolarHBondContact O-N 3.38Å; L170-S174 PolarHBondContact O-OG 2.91Å
171	R	68.4	Low	71.1	Confident	185 Å²	185	83.9 Å²	83.9	70%	0.698	43%	0.432	S	S	*	.	H	α-helix	trans	-69.9	-37.9	175.4	-69.7	-176.9	-179.8	-172.3	1.2	111.5	Q168 L173 S174 S175	Q168-R171 PolarHBondContact O-N 3.45Å; R171-L173 VanDerWaalsContact C-N 3.35Å; R171-S174 WeakPolarHBondContact O-CB 3.46Å; R171-S174 PolarHBondContact O-N 3.3Å; R171-S175 WeakPolarHBondContact O-CB 3.45Å; R171-S175 PolarHBondContact O-N 3.23Å; R171-S175 PolarHBondContact O-OG 3.37Å
172	D	71.4	Confident	71.2	Confident	80 Å²	80	86.1 Å²	86.1	43%	0.428	45%	0.445	S	S	.	.	H	α-helix	trans	-67.5	-38.2	176.8	-70	-10.1	0	0	0	110.5	Q168 S174 S175 A176	Q168-D172 WeakPolarHBondContact O-CB 3.46Å; Q168-D172 VanDerWaalsContact O-CG 3.22Å; Q168-D172 PolarHBondContact O-N 2.83Å; D172-S174 VanDerWaalsContact C-N 3.29Å; D172-S174 PolarHBondContact O-N 2.97Å; D172-S175 CarbonylContact O-C 3.59Å; D172-S175 PolarHBondContact O-N 2.88Å; D172-S175 VanDerWaalsContact O-N 3.08Å; D172-A176 WeakPolarHBondContact O-CB 3.33Å; D172-A176 PolarHBondContact O-N 3.37Å
173	L	71.4	Confident	71.5	Confident	51 Å²	51	84 Å²	84	27%	0.267	43%	0.433	S	S	.	.	H	α-helix	trans	-61.6	-39.4	175.5	-167.2	58.7	0	0	0	112.2	F119 L153 T169 L170 R171 S177	F119-L173 HydrophobicContact CD1-CD2 4.01Å; F119-L173 HydrophobicContact CD1-CG 3.91Å; F119-L173 HydrophobicContact CD2-CD1 4.28Å; F119-L173 HydrophobicContact CD2-CD2 4.29Å; F119-L173 HydrophobicContact CD2-CG 3.87Å; F119-L173 HydrophobicContact CE1-CD2 3.39Å; F119-L173 HydrophobicContact CE1-CG 3.81Å; F119-L173 HydrophobicContact CE2-CD1 4.12Å; F119-L173 HydrophobicContact CE2-CD2 3.7Å; F119-L173 HydrophobicContact CE2-CG 3.77Å; F119-L173 HydrophobicContact CG-CD2 4.44Å; F119-L173 HydrophobicContact CG-CG 3.96Å; F119-L173 HydrophobicContact CZ-CD1 4.49Å; F119-L173 HydrophobicContact CZ-CD2 3.23Å; F119-L173 HydrophobicContact CZ-CG 3.75Å; L153-L173 HydrophobicContact CD1-CD2 3.72Å; T169-L173 WeakPolarHBondContact O-CB 3.46Å; T169-L173 PolarHBondContact O-N 3.4Å; L170-L173 PolarHBondContact O-N 3.47Å; R171-L173 VanDerWaalsContact C-N 3.35Å; L173-S177 PolarHBondContact O-N 3.26Å
174	S	67	Low	72.2	Confident	44 Å²	44	78.5 Å²	78.5	31%	0.308	42%	0.415	S	S	.	.	H	α-helix	trans	-66	-38.6	173	-56.2	0	0	0	0	112.1	L170 R171 D172	L170-S174 PolarHBondContact O-N 3.38Å; L170-S174 PolarHBondContact O-OG 2.91Å; R171-S174 WeakPolarHBondContact O-CB 3.46Å; R171-S174 PolarHBondContact O-N 3.3Å; D172-S174 VanDerWaalsContact C-N 3.29Å; D172-S174 PolarHBondContact O-N 2.97Å
175	S	65.2	Low	73.1	Confident	61 Å²	61	74 Å²	74	43%	0.427	39%	0.388	S	S	.	.	H	α-helix	trans	-78.5	-30.3	-178.7	-59.8	0	0	0	0	113.6	R171 D172 K178	R171-S175 WeakPolarHBondContact O-CB 3.45Å; R171-S175 PolarHBondContact O-N 3.23Å; R171-S175 PolarHBondContact O-OG 3.37Å; D172-S175 CarbonylContact O-C 3.59Å; D172-S175 PolarHBondContact O-N 2.88Å; D172-S175 VanDerWaalsContact O-N 3.08Å; S175-K178 WeakPolarHBondContact O-CD 3.33Å; S175-K178 WeakPolarHBondContact O-CG 3.42Å
176	A	63.2	Low	74	Confident	79 Å²	79	74.2 Å²	74.2	65%	0.653	39%	0.389	S	S	*	.	H	α-helix	trans	-76	-26.5	-179.9	0	0	0	0	0	112.1	D172 K178	D172-A176 WeakPolarHBondContact O-CB 3.33Å; D172-A176 PolarHBondContact O-N 3.37Å; A176-K178 PolarHBondContact O-N 3.25Å
177	S	65.8	Low	75.1	Confident	23 Å²	23	73.5 Å²	73.5	16%	0.161	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	5.5	176.7	-172.2	0	0	0	0	113.4	Y120 L173 V179	Y120-S177 WeakPolarHBondContact CB-O 3.42Å; Y120-S177 PolarHBondContact N-OG 3.25Å; L173-S177 PolarHBondContact O-N 3.26Å; S177-V179 PolarHBondContact O-N 2.81Å; S177-V179 VanDerWaalsContact O-N 3.09Å
178	K	68	Low	76.2	Confident	134 Å²	134	73.9 Å²	73.9	58%	0.583	37%	0.374	S	S	*	.			trans	-52.8	119.9	-179.3	-84.5	175.9	-173.9	177.7	0	111.3	S175 A176 H180	S175-K178 WeakPolarHBondContact O-CD 3.33Å; S175-K178 WeakPolarHBondContact O-CG 3.42Å; A176-K178 PolarHBondContact O-N 3.25Å; K178-H180 PolarHBondContact O-CD2 2.7Å; K178-H180 PolarHBondContact O-N 2.89Å
179	V	73.4	Confident	77.1	Confident	17 Å²	17	69.4 Å²	69.4	10%	0.103	35%	0.354	C	S	.	.			trans	-67.6	125.4	177.9	172.4	0	0	0	0	110.1	I61 Y120 S177 Y181	I61-V179 HydrophobicContact CB-CG1 3.49Å; I61-V179 VanDerWaalsContact CB-CG1 3.49Å; I61-V179 HydrophobicContact CG2-CG1 3.03Å; Y120-V179 HydrophobicContact CD1-CB 4.24Å; Y120-V179 HydrophobicContact CD1-CG2 3.32Å; Y120-V179 HydrophobicContact CD2-CB 4.25Å; Y120-V179 HydrophobicContact CD2-CG2 3.92Å; Y120-V179 HydrophobicContact CE1-CB 4.06Å; Y120-V179 HydrophobicContact CE1-CG2 3.56Å; Y120-V179 HydrophobicContact CE2-CB 4.05Å; Y120-V179 HydrophobicContact CE2-CG2 4.11Å; Y120-V179 HydrophobicContact CG-CB 4.33Å; Y120-V179 HydrophobicContact CG-CG2 3.52Å; S177-V179 PolarHBondContact O-N 2.81Å; S177-V179 VanDerWaalsContact O-N 3.09Å; V179-Y181 HydrophobicContact CB-CE2 4.49Å; V179-Y181 HydrophobicContact CG1-CE2 4.2Å; V179-Y181 PolarHBondContact O-N 3.39Å
180	H	75.7	Confident	78.1	Confident	127 Å²	127	69.9 Å²	69.9	59%	0.588	35%	0.354	S	S	*	.			trans	-91.7	89.5	-175.4	-64.3	-73	0	0	0	111.8	K178 D182 S183	K178-H180 PolarHBondContact O-CD2 2.7Å; K178-H180 PolarHBondContact O-N 2.89Å; H180-D182 PolarHBondContact O-N 3.4Å; H180-S183 WeakPolarHBondContact CB-OG 3.46Å; H180-S183 WeakPolarHBondContact O-CB 3.45Å; H180-S183 PolarHBondContact O-N 3Å; H180-S183 PolarHBondContact O-OG 2.97Å
181	Y	79.5	Confident	79.1	Confident	70 Å²	70	72.3 Å²	72.3	28%	0.275	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.1	176	-69.1	-86.6	0	0	0	113.9	I61 Y120 V179 S183 F222 R223	I61-Y181 HydrophobicContact CD1-CD1 4.26Å; I61-Y181 HydrophobicContact CD1-CE1 3.63Å; I61-Y181 HydrophobicContact CG2-CD1 4.24Å; I61-Y181 HydrophobicContact CG2-CE1 4.23Å; Y120-Y181 PolarHBondContact OH-OH 3.45Å; V179-Y181 HydrophobicContact CB-CE2 4.49Å; V179-Y181 HydrophobicContact CG1-CE2 4.2Å; V179-Y181 PolarHBondContact O-N 3.39Å; Y181-S183 VanDerWaalsContact C-N 3.27Å; Y181-S183 PolarHBondContact O-N 3.26Å; Y181-F222 HydrophobicContact CD1-CD1 4.45Å; Y181-F222 PolarHBondContact O-N 3.12Å; Y181-R223 WeakPolarHBondContact O-CB 3.41Å; Y181-R223 PolarHBondContact O-N 3.41Å
182	D	82.5	Confident	80.1	Confident	106 Å²	106	66.9 Å²	66.9	57%	0.567	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	7.7	-178.6	-59.5	-33.6	0	0	0	112.9	H180 F184	H180-D182 PolarHBondContact O-N 3.4Å; D182-F184 PolarHBondContact O-N 3.37Å
183	S	86.6	Confident	80.8	Confident	41 Å²	41	64.7 Å²	64.7	29%	0.287	35%	0.348	S	S	.	.			trans	-63.4	130	173.5	-54.4	0	0	0	0	110	H180 Y181 F222	H180-S183 WeakPolarHBondContact CB-OG 3.46Å; H180-S183 WeakPolarHBondContact O-CB 3.45Å; H180-S183 PolarHBondContact O-N 3Å; H180-S183 PolarHBondContact O-OG 2.97Å; Y181-S183 VanDerWaalsContact C-N 3.27Å; Y181-S183 PolarHBondContact O-N 3.26Å; S183-F222 PolarHBondContact O-N 3.48Å
184	F	89.9	Confident	81.4	Confident	117 Å²	117	66.6 Å²	66.6	51%	0.513	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.6	175.5	-75.6	-95.4	0	0	0	110.3	D182 P201 L219 L220 P221	D182-F184 PolarHBondContact O-N 3.37Å; F184-P201 HydrophobicContact CE1-CG 4.27Å; F184-P201 HydrophobicContact CZ-CB 3.94Å; F184-P201 HydrophobicContact CZ-CG 3.87Å; F184-L219 HydrophobicContact CB-CD1 3.88Å; F184-L219 HydrophobicContact CB-CG 4.27Å; F184-L219 HydrophobicContact CD1-CG 4.11Å; F184-L220 WeakPolarHBondContact CA-O 3.47Å; F184-P221 HydrophobicContact CD1-CG 4.33Å; F184-P221 HydrophobicContact CE1-CG 3.9Å; F184-P221 HydrophobicContact CZ-CG 4.03Å
185	V	91.4	Very high	82	Confident	14 Å²	14	70.4 Å²	70.4	9%	0.085	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.1	177.4	-63.3	0	0	0	0	110.1	P60 L220 F222 L225 L236	P60-V185 HydrophobicContact CG-CG1 4.38Å; V185-L220 PolarHBondContact N-O 3.04Å; V185-L220 PolarHBondContact O-N 2.87Å; V185-F222 HydrophobicContact CG1-CB 4.25Å; V185-F222 HydrophobicContact CG1-CD2 4.44Å; V185-F222 HydrophobicContact CG2-CB 4.11Å; V185-F222 HydrophobicContact CG2-CD2 4.19Å; V185-L225 HydrophobicContact CG2-CD1 3.34Å; V185-L236 HydrophobicContact CB-CD2 4.39Å; V185-L236 HydrophobicContact CG2-CD2 3.8Å
186	F	92.8	Very high	82.8	Confident	116 Å²	116	67.7 Å²	67.7	51%	0.509	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.6	170.8	-69.5	-79.6	0	0	0	109.3	L219 L236 K237	F186-L219 HydrophobicContact CD1-CB 4.33Å; F186-L219 HydrophobicContact CD1-CD1 4.04Å; F186-L219 HydrophobicContact CD2-CD1 4.28Å; F186-L219 HydrophobicContact CE1-CB 4.19Å; F186-L219 HydrophobicContact CE1-CD1 3.92Å; F186-L219 HydrophobicContact CE1-CD2 4.48Å; F186-L219 HydrophobicContact CE1-CG 4.42Å; F186-L219 HydrophobicContact CE2-CD1 4.15Å; F186-L219 HydrophobicContact CG-CD1 4.23Å; F186-L219 HydrophobicContact CZ-CD1 3.98Å; F186-L236 CarbonylContact O-C 3.58Å; F186-L236 WeakPolarHBondContact O-CA 3.39Å; F186-K237 HydrophobicContact CB-CB 4.25Å; F186-K237 PolarHBondContact O-N 3.43Å
187	A	91.7	Very high	83.7	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.008	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.1	173.7	0	0	0	0	0	110	Q217 H218 L225 V234 L236	A187-Q217 CarbonylContact O-C 3.59Å; A187-Q217 VanDerWaalsContact O-CA 3.31Å; A187-Q217 WeakPolarHBondContact O-CA 3.5Å; A187-H218 PolarHBondContact N-O 2.7Å; A187-H218 PolarHBondContact O-N 2.78Å; A187-L225 HydrophobicContact CB-CD1 3.67Å; A187-L225 HydrophobicContact CB-CD2 3.76Å; A187-L225 HydrophobicContact CB-CG 4.36Å; A187-V234 HydrophobicContact CB-CB 4.46Å; A187-L236 HydrophobicContact CB-CD2 4.47Å
188	K	91.4	Very high	84.5	Confident	90 Å²	90	69.9 Å²	69.9	39%	0.391	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125	169	-175.3	-174.4	175.6	-171.1	0	108.6	L190 S216 Q217 V234 C235	K188-L190 PolarHBondContact O-N 3.47Å; K188-S216 WeakPolarHBondContact CA-O 3.42Å; K188-Q217 HydrophobicContact CB-CG 4.28Å; K188-Q217 HydrophobicContact CG-CG 4.4Å; K188-V234 WeakPolarHBondContact O-CA 3.35Å; K188-C235 PolarHBondContact N-O 3.23Å; K188-C235 PolarHBondContact O-N 2.95Å
189	A	90.6	Very high	85	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.008	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.6	172.2	0	0	0	0	0	110.2	F212 Q213 G215 S216	A189-F212 HydrophobicContact CB-CB 3.92Å; A189-F212 HydrophobicContact CB-CD1 4.41Å; A189-F212 HydrophobicContact CB-CG 4.24Å; A189-Q213 WeakPolarHBondContact CB-O 3.43Å; A189-G215 WeakPolarHBondContact O-CA 3.41Å; A189-G215 PolarHBondContact O-N 2.79Å; A189-S216 PolarHBondContact N-O 3.42Å
190	L	87.7	Confident	85.2	Confident	53 Å²	53	68 Å²	68	28%	0.277	35%	0.351	S	S	.	.	S	Bend	trans	-87.7	-33.6	175.4	-61.7	176.8	0	0	0	111.2	E51 K188 I233 C235	E51-L190 WeakPolarHBondContact OE2-CD1 3.13Å; K188-L190 PolarHBondContact O-N 3.47Å; L190-I233 WeakPolarHBondContact CB-O 3.46Å; L190-I233 PolarHBondContact N-O 2.89Å; L190-C235 HydrophobicContact CD1-CB 4.14Å; L190-C235 HydrophobicContact CD2-CB 4.09Å; L190-C235 HydrophobicContact CG-CB 4.18Å
191	Q	87.7	Confident	84.9	Confident	108 Å²	108	65.6 Å²	65.6	51%	0.505	35%	0.346	S	S	.	.	S	Bend	trans	-124.7	155.9	-178.1	-59.5	179.7	24.1	0	0	110
192	A	88.9	Confident	84.6	Confident	71 Å²	71	73.3 Å²	73.3	59%	0.587	38%	0.375	S	S	*	.			trans	-79.5	123	171.4	0	0	0	0	0	109	F212	A192-F212 CarbonylContact C-O 3.55Å; A192-F212 WeakPolarHBondContact CA-O 3.5Å
193	V	86.7	Confident	84.2	Confident	35 Å²	35	76 Å²	76	21%	0.212	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	112.7	176.4	-176.3	0	0	0	0	107.8	V196 F212 I233	V193-V196 HydrophobicContact CB-CG2 4.03Å; V193-V196 HydrophobicContact CG1-CG2 3.57Å; V193-F212 HydrophobicContact CB-CB 4.36Å; V193-F212 HydrophobicContact CB-CD2 4.49Å; V193-F212 PolarHBondContact N-O 3.04Å; V193-F212 PolarHBondContact O-N 2.83Å; V193-I233 HydrophobicContact CG2-CG2 3.61Å
194	P	82.9	Confident	83.4	Confident	91 Å²	91	86.4 Å²	86.4	59%	0.591	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	149.6	172.8	30.4	-32.6	0	0	0	110.5	V196	P194-V196 PolarHBondContact O-N 2.87Å
195	D	80.3	Confident	82.6	Confident	123 Å²	123	84.3 Å²	84.3	66%	0.658	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.8	56.1	168.7	-59.9	-32.7	0	0	0	116.1	E197	D195-E197 PolarHBondContact O-N 3.5Å
196	V	82	Confident	82.2	Confident	5 Å²	5	87.3 Å²	87.3	3%	0.03	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	107.8	170	171.9	0	0	0	0	110.2	V193 P194 I198 I210 F212 F228	V193-V196 HydrophobicContact CB-CG2 4.03Å; V193-V196 HydrophobicContact CG1-CG2 3.57Å; P194-V196 PolarHBondContact O-N 2.87Å; V196-I198 HydrophobicContact CG1-CD1 3.82Å; V196-I198 HydrophobicContact CG1-CG1 3.84Å; V196-I198 PolarHBondContact O-N 2.94Å; V196-I210 WeakPolarHBondContact CB-O 3.38Å; V196-I210 PolarHBondContact N-O 3.17Å; V196-I210 PolarHBondContact O-N 3.02Å; V196-F212 HydrophobicContact CB-CD2 4.13Å; V196-F212 HydrophobicContact CB-CE2 3.94Å; V196-F212 HydrophobicContact CG1-CD2 4.38Å; V196-F212 HydrophobicContact CG1-CE2 3.7Å; V196-F212 HydrophobicContact CG1-CZ 4.15Å; V196-F212 HydrophobicContact CG2-CD2 3.54Å; V196-F212 HydrophobicContact CG2-CE2 3.72Å; V196-F212 HydrophobicContact CG2-CG 4.41Å; V196-F228 HydrophobicContact CB-CZ 4.31Å; V196-F228 HydrophobicContact CG1-CE1 3.77Å; V196-F228 HydrophobicContact CG1-CE2 3.61Å; V196-F228 HydrophobicContact CG1-CZ 3.18Å; V196-F228 HydrophobicContact CG2-CE1 4.03Å; V196-F228 HydrophobicContact CG2-CZ 4.29Å
197	E	81.8	Confident	81.7	Confident	140 Å²	140	85 Å²	85	65%	0.654	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.9	175.3	-65	-171.6	176.9	0	0	111.4	D195	D195-E197 PolarHBondContact O-N 3.5Å
198	I	83.1	Confident	81.3	Confident	7 Å²	7	88.3 Å²	88.3	4%	0.036	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.4	178.2	-68.8	161.2	0	0	0	109.5	V196 N200 S207 I208 I210 F212 L220 A224	V196-I198 HydrophobicContact CG1-CD1 3.82Å; V196-I198 HydrophobicContact CG1-CG1 3.84Å; V196-I198 PolarHBondContact O-N 2.94Å; I198-N200 PolarHBondContact O-N 3.08Å; I198-S207 CarbonylContact O-C 3.52Å; I198-S207 WeakPolarHBondContact O-CA 3.31Å; I198-I208 PolarHBondContact N-O 3Å; I198-I208 PolarHBondContact O-N 3.33Å; I198-I210 HydrophobicContact CD1-CB 4.5Å; I198-I210 HydrophobicContact CD1-CD1 3.91Å; I198-F212 HydrophobicContact CD1-CZ 4.27Å; I198-L220 HydrophobicContact CD1-CD1 3.53Å; I198-L220 HydrophobicContact CD1-CD2 4.18Å; I198-L220 HydrophobicContact CD1-CG 4.44Å; I198-A224 HydrophobicContact CB-CB 4.34Å; I198-A224 HydrophobicContact CG1-CB 4.11Å; I198-A224 HydrophobicContact CG2-CB 3.4Å
199	L	78.9	Confident	80.9	Confident	92 Å²	92	87.2 Å²	87.2	48%	0.482	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	126.5	174.7	-172.4	71.5	0	0	0	110.9	P201	L199-P201 WeakPolarHBondContact O-CD 3.32Å
200	N	76.1	Confident	80.7	Confident	21 Å²	21	89 Å²	89	11%	0.112	46%	0.463	C	S	.	.			trans	-63.5	118.6	178.6	-170.2	-17	0	0	0	110.4	I198 R202 R203 E206 I208	I198-N200 PolarHBondContact O-N 3.08Å; N200-R202 PolarHBondContact O-N 3.38Å; N200-R202 WeakPolarHBondContact OD1-CB 3.48Å; N200-R202 PolarHBondContact OD1-N 3.34Å; N200-R203 HydrophobicContact CB-CB 4.49Å; N200-R203 PolarHBondContact O-N 3.29Å; N200-R203 VanDerWaalsContact O-O 3.12Å; N200-E206 HydrophobicContact CB-CB 4.05Å; N200-E206 VanDerWaalsContact CB-O 3.24Å; N200-E206 WeakPolarHBondContact CB-O 3.29Å; N200-E206 PolarHBondContact N-O 2.98Å; N200-E206 PolarHBondContact ND2-OE2 3.5Å; N200-I208 HydrophobicContact CB-CD1 3.84Å; N200-I208 HydrophobicContact CB-CG1 3.88Å
201	P	70.3	Confident	80.7	Confident	75 Å²	75	92.2 Å²	92.2	49%	0.487	48%	0.476	S	S	.	.	S	Bend	trans	-67.6	-19.6	178.2	26.4	-33.6	0	0	0	113	F184 L199 P221	F184-P201 HydrophobicContact CE1-CG 4.27Å; F184-P201 HydrophobicContact CZ-CB 3.94Å; F184-P201 HydrophobicContact CZ-CG 3.87Å; L199-P201 WeakPolarHBondContact O-CD 3.32Å; P201-P221 HydrophobicContact CB-CG 4.01Å; P201-P221 HydrophobicContact CG-CG 4.2Å
202	R	74	Confident	80.7	Confident	232 Å²	232	87.1 Å²	87.1	88%	0.875	45%	0.452	S	S	*	.	S	Bend	trans	-90	-27.5	-178	-62.5	-175.9	178.1	178.7	0.3	113.6	N200	N200-R202 PolarHBondContact O-N 3.38Å; N200-R202 WeakPolarHBondContact OD1-CB 3.48Å; N200-R202 PolarHBondContact OD1-N 3.34Å
203	R	74.3	Confident	80.7	Confident	162 Å²	162	89.3 Å²	89.3	61%	0.611	45%	0.451	S	S	*	.	S	Bend	trans	-131.2	111.2	-174.9	-74.7	173.6	170.3	-171.9	3.3	109.3	N200 G205 E206	N200-R203 HydrophobicContact CB-CB 4.49Å; N200-R203 PolarHBondContact O-N 3.29Å; N200-R203 VanDerWaalsContact O-O 3.12Å; R203-G205 PolarHBondContact O-N 3.17Å; R203-E206 HydrophobicContact CB-CB 4.11Å; R203-E206 WeakPolarHBondContact CB-OE2 3.48Å; R203-E206 WeakPolarHBondContact CD-OE2 3Å; R203-E206 IonicContact NH1-OE1 3.41Å; R203-E206 PolarHBondContact NH1-OE1 3.2Å; R203-E206 IonicContact NH1-OE2 3.8Å; R203-E206 PolarHBondContact O-N 2.88Å
204	R	69.8	Low	80.9	Confident	260 Å²	260	90.9 Å²	90.9	98%	0.981	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	123.6	178.9	-73.8	-171.3	-175.5	-170	2.8	109.9
205	G	72.9	Confident	81.1	Confident	73 Å²	73	88.3 Å²	88.3	75%	0.753	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-3.2	173.7	0	0	0	0	0	115.5	R203	R203-G205 PolarHBondContact O-N 3.17Å
206	E	81.6	Confident	81.7	Confident	77 Å²	77	83.9 Å²	83.9	36%	0.36	44%	0.436	S	S	.	.			trans	-91.9	134.2	173.5	-170.3	179.5	-141.7	0	0	109.6	N200 R203	N200-E206 HydrophobicContact CB-CB 4.05Å; N200-E206 VanDerWaalsContact CB-O 3.24Å; N200-E206 WeakPolarHBondContact CB-O 3.29Å; N200-E206 PolarHBondContact N-O 2.98Å; N200-E206 PolarHBondContact ND2-OE2 3.5Å; R203-E206 HydrophobicContact CB-CB 4.11Å; R203-E206 WeakPolarHBondContact CB-OE2 3.48Å; R203-E206 WeakPolarHBondContact CD-OE2 3Å; R203-E206 IonicContact NH1-OE1 3.41Å; R203-E206 PolarHBondContact NH1-OE1 3.2Å; R203-E206 IonicContact NH1-OE2 3.8Å; R203-E206 PolarHBondContact O-N 2.88Å
207	S	82.3	Confident	82.2	Confident	69 Å²	69	88.5 Å²	88.5	48%	0.483	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.6	168.4	49.2	0	0	0	0	110.1	I198	I198-S207 CarbonylContact O-C 3.52Å; I198-S207 WeakPolarHBondContact O-CA 3.31Å
208	I	82.9	Confident	82.6	Confident	69 Å²	69	83.6 Å²	83.6	35%	0.354	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.5	170.9	-55.7	174.1	0	0	0	106.8	I198 N200 I210	I198-I208 PolarHBondContact N-O 3Å; I198-I208 PolarHBondContact O-N 3.33Å; N200-I208 HydrophobicContact CB-CD1 3.84Å; N200-I208 HydrophobicContact CB-CG1 3.88Å; I208-I210 HydrophobicContact CG2-CG1 4.01Å
209	S	84.2	Confident	83	Confident	68 Å²	68	87.6 Å²	87.6	48%	0.476	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.2	169.6	-53.6	0	0	0	0	109.5
210	I	85.4	Confident	83.5	Confident	38 Å²	38	84 Å²	84	20%	0.195	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.7	177.5	-60.7	178.8	0	0	0	108.2	V196 I198 I208 F212 L220	V196-I210 WeakPolarHBondContact CB-O 3.38Å; V196-I210 PolarHBondContact N-O 3.17Å; V196-I210 PolarHBondContact O-N 3.02Å; I198-I210 HydrophobicContact CD1-CB 4.5Å; I198-I210 HydrophobicContact CD1-CD1 3.91Å; I208-I210 HydrophobicContact CG2-CG1 4.01Å; I210-F212 HydrophobicContact CG2-CD1 4.43Å; I210-F212 HydrophobicContact CG2-CE1 4.29Å; I210-L220 HydrophobicContact CD1-CD2 3.59Å
211	E	87.5	Confident	84.1	Confident	120 Å²	120	83.4 Å²	83.4	56%	0.561	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.3	172.9	-172	-177.1	173.1	0	0	110
212	F	88.5	Confident	85	Confident	1 Å²	1	79.9 Å²	79.9	0%	0.004	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116	169.8	-70.9	-35.4	0	0	0	109.6	A189 A192 V193 V196 I198 I210 H218 L220 L225 F228 V234	A189-F212 HydrophobicContact CB-CB 3.92Å; A189-F212 HydrophobicContact CB-CD1 4.41Å; A189-F212 HydrophobicContact CB-CG 4.24Å; A192-F212 CarbonylContact C-O 3.55Å; A192-F212 WeakPolarHBondContact CA-O 3.5Å; V193-F212 HydrophobicContact CB-CB 4.36Å; V193-F212 HydrophobicContact CB-CD2 4.49Å; V193-F212 PolarHBondContact N-O 3.04Å; V193-F212 PolarHBondContact O-N 2.83Å; V196-F212 HydrophobicContact CB-CD2 4.13Å; V196-F212 HydrophobicContact CB-CE2 3.94Å; V196-F212 HydrophobicContact CG1-CD2 4.38Å; V196-F212 HydrophobicContact CG1-CE2 3.7Å; V196-F212 HydrophobicContact CG1-CZ 4.15Å; V196-F212 HydrophobicContact CG2-CD2 3.54Å; V196-F212 HydrophobicContact CG2-CE2 3.72Å; V196-F212 HydrophobicContact CG2-CG 4.41Å; I198-F212 HydrophobicContact CD1-CZ 4.27Å; I210-F212 HydrophobicContact CG2-CD1 4.43Å; I210-F212 HydrophobicContact CG2-CE1 4.29Å; F212-H218 AromaticContact CD1-CD2 3.46Å; F212-H218 VanDerWaalsContact CD1-CD2 3.46Å; F212-H218 WeakPolarHBondContact CD1-CD2 3.5Å; F212-H218 AromaticContact CD1-CE1 3.96Å; F212-H218 AromaticContact CD1-CG 3.97Å; F212-H218 AromaticContact CD1-NE2 3.48Å; F212-H218 WeakPolarHBondContact CD1-NE2 3.47Å; F212-H218 HydrophobicContact CE1-CB 4.23Å; F212-H218 AromaticContact CE1-CD2 3.66Å; F212-H218 AromaticContact CE1-CG 3.76Å; F212-L220 HydrophobicContact CE1-CD1 3.97Å; F212-L220 HydrophobicContact CZ-CD1 3.96Å; F212-L225 HydrophobicContact CZ-CD2 4.48Å; F212-F228 HydrophobicContact CE2-CD1 4.44Å; F212-F228 HydrophobicContact CE2-CG 4.45Å; F212-V234 HydrophobicContact CD2-CG1 4.35Å; F212-V234 HydrophobicContact CE2-CG1 4.03Å; F212-V234 HydrophobicContact CZ-CG1 4.32Å
213	Q	89.5	Confident	85.7	Confident	117 Å²	117	76.3 Å²	76.3	55%	0.547	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-93.4	141.5	167.4	-65.7	-178.3	-12.6	0	0	110.1	A189 G215 S216	A189-Q213 WeakPolarHBondContact CB-O 3.43Å; Q213-G215 PolarHBondContact O-N 3.28Å; Q213-G215 VanDerWaalsContact O-N 3.15Å; Q213-S216 PolarHBondContact N-OG 3.38Å; Q213-S216 VanDerWaalsContact O-CB 3.27Å; Q213-S216 WeakPolarHBondContact O-CB 3.46Å; Q213-S216 PolarHBondContact O-N 3.02Å; Q213-S216 PolarHBondContact O-OG 3.41Å
214	A	90.1	Very high	86.3	Confident	68 Å²	68	69.8 Å²	69.8	56%	0.562	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	123.6	178.5	0	0	0	0	0	111.1	S216	A214-S216 VanDerWaalsContact C-N 3.34Å
215	G	88.4	Confident	87.2	Confident	37 Å²	37	57.4 Å²	57.4	38%	0.381	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-11.6	-178.1	0	0	0	0	0	115.9	A189 Q213	A189-G215 WeakPolarHBondContact O-CA 3.41Å; A189-G215 PolarHBondContact O-N 2.79Å; Q213-G215 PolarHBondContact O-N 3.28Å; Q213-G215 VanDerWaalsContact O-N 3.15Å
216	S	91.7	Very high	87.8	Confident	30 Å²	30	59 Å²	59	21%	0.21	31%	0.314	C	S	.	.			trans	-64.6	154.2	175.3	64.6	0	0	0	0	112	K188 A189 Q213 A214 H218	K188-S216 WeakPolarHBondContact CA-O 3.42Å; A189-S216 PolarHBondContact N-O 3.42Å; Q213-S216 PolarHBondContact N-OG 3.38Å; Q213-S216 VanDerWaalsContact O-CB 3.27Å; Q213-S216 WeakPolarHBondContact O-CB 3.46Å; Q213-S216 PolarHBondContact O-N 3.02Å; Q213-S216 PolarHBondContact O-OG 3.41Å; A214-S216 VanDerWaalsContact C-N 3.34Å; S216-H218 PolarHBondContact OG-NE2 2.9Å
217	Q	92.3	Very high	88	Confident	102 Å²	102	61.3 Å²	61.3	48%	0.477	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.3	178.8	-80.7	163.6	54.1	0	0	109.9	A187 K188 K237	A187-Q217 CarbonylContact O-C 3.59Å; A187-Q217 VanDerWaalsContact O-CA 3.31Å; A187-Q217 WeakPolarHBondContact O-CA 3.5Å; K188-Q217 HydrophobicContact CB-CG 4.28Å; K188-Q217 HydrophobicContact CG-CG 4.4Å; Q217-K237 HydrophobicContact CG-CD 4.32Å
218	H	90	Very high	88.3	Confident	38 Å²	38	59.2 Å²	59.2	18%	0.176	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141	-176.3	-61.3	-87.7	0	0	0	109.6	A187 F212 S216 L220	A187-H218 PolarHBondContact N-O 2.7Å; A187-H218 PolarHBondContact O-N 2.78Å; F212-H218 AromaticContact CD1-CD2 3.46Å; F212-H218 VanDerWaalsContact CD1-CD2 3.46Å; F212-H218 WeakPolarHBondContact CD1-CD2 3.5Å; F212-H218 AromaticContact CD1-CE1 3.96Å; F212-H218 AromaticContact CD1-CG 3.97Å; F212-H218 AromaticContact CD1-NE2 3.48Å; F212-H218 WeakPolarHBondContact CD1-NE2 3.47Å; F212-H218 HydrophobicContact CE1-CB 4.23Å; F212-H218 AromaticContact CE1-CD2 3.66Å; F212-H218 AromaticContact CE1-CG 3.76Å; S216-H218 PolarHBondContact OG-NE2 2.9Å; H218-L220 HydrophobicContact CB-CD1 3.87Å; H218-L220 HydrophobicContact CB-CG 4.1Å
219	L	91.6	Very high	88.5	Confident	90 Å²	90	56.8 Å²	56.8	47%	0.471	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	104.2	173.8	-179.4	64.3	0	0	0	108.2	F184 F186	F184-L219 HydrophobicContact CB-CD1 3.88Å; F184-L219 HydrophobicContact CB-CG 4.27Å; F184-L219 HydrophobicContact CD1-CG 4.11Å; F186-L219 HydrophobicContact CD1-CB 4.33Å; F186-L219 HydrophobicContact CD1-CD1 4.04Å; F186-L219 HydrophobicContact CD2-CD1 4.28Å; F186-L219 HydrophobicContact CE1-CB 4.19Å; F186-L219 HydrophobicContact CE1-CD1 3.92Å; F186-L219 HydrophobicContact CE1-CD2 4.48Å; F186-L219 HydrophobicContact CE1-CG 4.42Å; F186-L219 HydrophobicContact CE2-CD1 4.15Å; F186-L219 HydrophobicContact CG-CD1 4.23Å; F186-L219 HydrophobicContact CZ-CD1 3.98Å
220	L	89.3	Confident	88.5	Confident	16 Å²	16	58.9 Å²	58.9	8%	0.084	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.3	-172.1	-64.9	169.1	0	0	0	110.8	F184 V185 I198 I210 F212 H218 F222 L225	F184-L220 WeakPolarHBondContact CA-O 3.47Å; V185-L220 PolarHBondContact N-O 3.04Å; V185-L220 PolarHBondContact O-N 2.87Å; I198-L220 HydrophobicContact CD1-CD1 3.53Å; I198-L220 HydrophobicContact CD1-CD2 4.18Å; I198-L220 HydrophobicContact CD1-CG 4.44Å; I210-L220 HydrophobicContact CD1-CD2 3.59Å; F212-L220 HydrophobicContact CE1-CD1 3.97Å; F212-L220 HydrophobicContact CZ-CD1 3.96Å; H218-L220 HydrophobicContact CB-CD1 3.87Å; H218-L220 HydrophobicContact CB-CG 4.1Å; L220-F222 PolarHBondContact O-N 2.91Å; L220-L225 HydrophobicContact CB-CD1 4.1Å; L220-L225 HydrophobicContact CB-CD2 4.35Å; L220-L225 HydrophobicContact CB-CG 4.19Å; L220-L225 HydrophobicContact CD1-CD2 3.93Å
221	P	89.6	Confident	88.4	Confident	10 Å²	10	65.1 Å²	65.1	7%	0.065	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	135.4	170.7	-20.6	32	0	0	0	110.6	F184 P201 R223 A224	F184-P221 HydrophobicContact CD1-CG 4.33Å; F184-P221 HydrophobicContact CE1-CG 3.9Å; F184-P221 HydrophobicContact CZ-CG 4.03Å; P201-P221 HydrophobicContact CB-CG 4.01Å; P201-P221 HydrophobicContact CG-CG 4.2Å; P221-R223 PolarHBondContact O-N 3.49Å; P221-R223 VanDerWaalsContact O-N 3.13Å; P221-A224 WeakPolarHBondContact O-CB 3.41Å; P221-A224 PolarHBondContact O-N 3.14Å
222	F	90	Very high	88.2	Confident	1 Å²	1	65.3 Å²	65.3	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-55.4	-35.3	-178.2	177.7	-89.1	0	0	0	112.7	A59 P60 I61 L63 Y181 S183 V185 L220 A224 L225 R226 L229 L236	A59-F222 HydrophobicContact CB-CE2 3.89Å; A59-F222 HydrophobicContact CB-CZ 4.4Å; P60-F222 HydrophobicContact CG-CB 3.68Å; P60-F222 HydrophobicContact CG-CD1 4.11Å; P60-F222 HydrophobicContact CG-CD2 4Å; P60-F222 HydrophobicContact CG-CG 3.63Å; I61-F222 HydrophobicContact CD1-CD1 4.3Å; I61-F222 HydrophobicContact CD1-CE1 3.34Å; I61-F222 HydrophobicContact CD1-CZ 3.85Å; I61-F222 HydrophobicContact CG1-CD1 4.42Å; I61-F222 HydrophobicContact CG1-CE1 3.57Å; I61-F222 HydrophobicContact CG1-CZ 3.72Å; I61-F222 HydrophobicContact CG2-CD1 4.11Å; I61-F222 HydrophobicContact CG2-CE1 4.05Å; L63-F222 HydrophobicContact CD2-CE2 4.33Å; L63-F222 HydrophobicContact CD2-CZ 3.77Å; Y181-F222 HydrophobicContact CD1-CD1 4.45Å; Y181-F222 PolarHBondContact O-N 3.12Å; S183-F222 PolarHBondContact O-N 3.48Å; V185-F222 HydrophobicContact CG1-CB 4.25Å; V185-F222 HydrophobicContact CG1-CD2 4.44Å; V185-F222 HydrophobicContact CG2-CB 4.11Å; V185-F222 HydrophobicContact CG2-CD2 4.19Å; L220-F222 PolarHBondContact O-N 2.91Å; F222-A224 PolarHBondContact O-N 3.16Å; F222-L225 PolarHBondContact O-N 2.94Å; F222-R226 PolarHBondContact O-N 3.4Å; F222-L229 HydrophobicContact CD2-CD1 4.42Å; F222-L229 HydrophobicContact CE2-CD1 3.59Å; F222-L229 HydrophobicContact CZ-CD1 4Å; F222-L236 HydrophobicContact CD2-CD1 4.29Å; F222-L236 HydrophobicContact CE2-CD1 4Å
223	R	87.6	Confident	88.1	Confident	157 Å²	157	66.3 Å²	66.3	59%	0.592	32%	0.323	S	S	*	.	H	α-helix	trans	-50	-42.7	174.8	-176.4	177.6	176.4	174.3	-0.8	113	Y181 P221 L225	Y181-R223 WeakPolarHBondContact O-CB 3.41Å; Y181-R223 PolarHBondContact O-N 3.41Å; P221-R223 PolarHBondContact O-N 3.49Å; P221-R223 VanDerWaalsContact O-N 3.13Å; R223-L225 VanDerWaalsContact C-N 3.27Å; R223-L225 PolarHBondContact O-N 2.9Å
224	A	86.9	Confident	88.1	Confident	24 Å²	24	60.8 Å²	60.8	20%	0.198	30%	0.297	C	S	.	.	H	α-helix	trans	-70.7	-26.6	-179	0	0	0	0	0	112.5	I198 P221 F222 F228	I198-A224 HydrophobicContact CB-CB 4.34Å; I198-A224 HydrophobicContact CG1-CB 4.11Å; I198-A224 HydrophobicContact CG2-CB 3.4Å; P221-A224 WeakPolarHBondContact O-CB 3.41Å; P221-A224 PolarHBondContact O-N 3.14Å; F222-A224 PolarHBondContact O-N 3.16Å; A224-F228 WeakPolarHBondContact O-CD2 3.37Å; A224-F228 VanDerWaalsContact O-CE2 3.25Å; A224-F228 WeakPolarHBondContact O-CE2 3.47Å
225	L	88.5	Confident	88.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-89.4	-14.5	-173.4	-65.8	167.4	0	0	0	113.5	V185 A187 F212 L220 F222 R223 E227 F228 L229 V234 L236	V185-L225 HydrophobicContact CG2-CD1 3.34Å; A187-L225 HydrophobicContact CB-CD1 3.67Å; A187-L225 HydrophobicContact CB-CD2 3.76Å; A187-L225 HydrophobicContact CB-CG 4.36Å; F212-L225 HydrophobicContact CZ-CD2 4.48Å; L220-L225 HydrophobicContact CB-CD1 4.1Å; L220-L225 HydrophobicContact CB-CD2 4.35Å; L220-L225 HydrophobicContact CB-CG 4.19Å; L220-L225 HydrophobicContact CD1-CD2 3.93Å; F222-L225 PolarHBondContact O-N 2.94Å; R223-L225 VanDerWaalsContact C-N 3.27Å; R223-L225 PolarHBondContact O-N 2.9Å; L225-E227 PolarHBondContact O-N 2.94Å; L225-F228 PolarHBondContact O-N 3.27Å; L225-F228 VanDerWaalsContact O-N 3.09Å; L225-L229 HydrophobicContact CB-CD1 4.47Å; L225-L229 WeakPolarHBondContact O-CG 3.47Å; L225-L229 PolarHBondContact O-N 2.97Å; L225-V234 HydrophobicContact CD2-CG2 4.23Å; L225-L236 HydrophobicContact CD1-CD2 4.29Å
226	R	85.9	Confident	88.2	Confident	106 Å²	106	56.6 Å²	56.6	40%	0.4	26%	0.258	S	S	.	.	H	α-helix	trans	-55.7	-49.4	-172.4	-171.9	173.3	-175.4	170.1	3.1	112.8	F222 F228 L229 D230	F222-R226 PolarHBondContact O-N 3.4Å; R226-F228 VanDerWaalsContact C-N 3.29Å; R226-F228 PolarHBondContact O-N 3.37Å; R226-L229 PolarHBondContact O-N 2.79Å; R226-D230 PolarHBondContact O-N 3.48Å; R226-D230 VanDerWaalsContact O-N 3.17Å
227	E	85.7	Confident	87.8	Confident	127 Å²	127	59.2 Å²	59.2	59%	0.593	27%	0.265	S	S	*	.	H	α-helix	trans	-65.4	-34.8	179.6	-61.7	-172.5	179.9	0	0	112.2	L225 R231	L225-E227 PolarHBondContact O-N 2.94Å; E227-R231 WeakPolarHBondContact O-CG 3.46Å; E227-R231 PolarHBondContact O-N 3.14Å
228	F	88.1	Confident	87.6	Confident	25 Å²	25	57.1 Å²	57.1	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-74.7	-29.8	178.6	-58.4	-72.9	0	0	0	112.7	V196 F212 A224 L225 R226 R232 I233 V234	V196-F228 HydrophobicContact CB-CZ 4.31Å; V196-F228 HydrophobicContact CG1-CE1 3.77Å; V196-F228 HydrophobicContact CG1-CE2 3.61Å; V196-F228 HydrophobicContact CG1-CZ 3.18Å; V196-F228 HydrophobicContact CG2-CE1 4.03Å; V196-F228 HydrophobicContact CG2-CZ 4.29Å; F212-F228 HydrophobicContact CE2-CD1 4.44Å; F212-F228 HydrophobicContact CE2-CG 4.45Å; A224-F228 WeakPolarHBondContact O-CD2 3.37Å; A224-F228 VanDerWaalsContact O-CE2 3.25Å; A224-F228 WeakPolarHBondContact O-CE2 3.47Å; L225-F228 PolarHBondContact O-N 3.27Å; L225-F228 VanDerWaalsContact O-N 3.09Å; R226-F228 VanDerWaalsContact C-N 3.29Å; R226-F228 PolarHBondContact O-N 3.37Å; F228-R232 PolarHBondContact O-N 3.21Å; F228-R232 VanDerWaalsContact O-N 3.15Å; F228-I233 HydrophobicContact CB-CB 4.32Å; F228-I233 HydrophobicContact CD1-CB 4.46Å; F228-I233 HydrophobicContact CD1-CD1 3.99Å; F228-I233 HydrophobicContact CD1-CG2 4.4Å; F228-I233 PolarHBondContact O-N 3.41Å; F228-V234 HydrophobicContact CB-CB 4.44Å; F228-V234 HydrophobicContact CB-CG1 4.08Å; F228-V234 HydrophobicContact CB-CG2 3.58Å
229	L	87.8	Confident	87.5	Confident	17 Å²	17	58.1 Å²	58.1	9%	0.089	26%	0.259	C	S	.	.	H	α-helix	trans	-67.5	-44.8	173.4	-73.3	168.8	0	0	0	110.7	F222 L225 R226 R231 R232 V234 L236	F222-L229 HydrophobicContact CD2-CD1 4.42Å; F222-L229 HydrophobicContact CE2-CD1 3.59Å; F222-L229 HydrophobicContact CZ-CD1 4Å; L225-L229 HydrophobicContact CB-CD1 4.47Å; L225-L229 WeakPolarHBondContact O-CG 3.47Å; L225-L229 PolarHBondContact O-N 2.97Å; R226-L229 PolarHBondContact O-N 2.79Å; L229-R231 VanDerWaalsContact C-N 3.28Å; L229-R231 PolarHBondContact O-N 3.03Å; L229-R232 PolarHBondContact O-N 3.46Å; L229-V234 HydrophobicContact CD2-CG2 3.86Å; L229-V234 HydrophobicContact CG-CG2 3.97Å; L229-L236 HydrophobicContact CD1-CD1 4.32Å; L229-L236 HydrophobicContact CD1-CD2 4.24Å; L229-L236 HydrophobicContact CD1-CG 4.31Å; L229-L236 HydrophobicContact CD2-CD2 4.11Å; L229-L236 HydrophobicContact CD2-CG 3.94Å
230	D	83.9	Confident	87.2	Confident	112 Å²	112	56.3 Å²	56.3	60%	0.599	25%	0.247	S	C	*	.	H	α-helix	trans	-62.9	-37.7	177.8	-68.4	-20.8	0	0	0	111.3	R226 R232	R226-D230 PolarHBondContact O-N 3.48Å; R226-D230 VanDerWaalsContact O-N 3.17Å; D230-R232 VanDerWaalsContact C-N 3.28Å; D230-R232 PolarHBondContact O-N 2.98Å
231	R	84.3	Confident	87.1	Confident	169 Å²	169	58.7 Å²	58.7	64%	0.638	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-2	175.2	-66.4	179.5	-172.6	-176.6	6.6	114.5	E227 L229 I233	E227-R231 WeakPolarHBondContact O-CG 3.46Å; E227-R231 PolarHBondContact O-N 3.14Å; L229-R231 VanDerWaalsContact C-N 3.28Å; L229-R231 PolarHBondContact O-N 3.03Å; R231-I233 HydrophobicContact CB-CD1 3.73Å; R231-I233 HydrophobicContact CB-CG1 3.91Å; R231-I233 PolarHBondContact O-N 2.91Å
232	R	83.4	Confident	86.9	Confident	125 Å²	125	61.8 Å²	61.8	47%	0.472	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	34.3	-176.5	-54	-177.8	178.3	-171.7	-1	113.9	F228 L229 D230	F228-R232 PolarHBondContact O-N 3.21Å; F228-R232 VanDerWaalsContact O-N 3.15Å; L229-R232 PolarHBondContact O-N 3.46Å; D230-R232 VanDerWaalsContact C-N 3.28Å; D230-R232 PolarHBondContact O-N 2.98Å
233	I	86.5	Confident	86.7	Confident	21 Å²	21	65.8 Å²	65.8	11%	0.108	29%	0.286	C	S	.	.	S	Bend	trans	-85.1	-31.8	175.3	-65.2	168.3	0	0	0	110	L190 V193 F228 R231	L190-I233 WeakPolarHBondContact CB-O 3.46Å; L190-I233 PolarHBondContact N-O 2.89Å; V193-I233 HydrophobicContact CG2-CG2 3.61Å; F228-I233 HydrophobicContact CB-CB 4.32Å; F228-I233 HydrophobicContact CD1-CB 4.46Å; F228-I233 HydrophobicContact CD1-CD1 3.99Å; F228-I233 HydrophobicContact CD1-CG2 4.4Å; F228-I233 PolarHBondContact O-N 3.41Å; R231-I233 HydrophobicContact CB-CD1 3.73Å; R231-I233 HydrophobicContact CB-CG1 3.91Å; R231-I233 PolarHBondContact O-N 2.91Å
234	V	88.9	Confident	86.7	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.1	-179.2	-58.1	0	0	0	0	111.1	A187 K188 F212 L225 F228 L229	A187-V234 HydrophobicContact CB-CB 4.46Å; K188-V234 WeakPolarHBondContact O-CA 3.35Å; F212-V234 HydrophobicContact CD2-CG1 4.35Å; F212-V234 HydrophobicContact CE2-CG1 4.03Å; F212-V234 HydrophobicContact CZ-CG1 4.32Å; L225-V234 HydrophobicContact CD2-CG2 4.23Å; F228-V234 HydrophobicContact CB-CB 4.44Å; F228-V234 HydrophobicContact CB-CG1 4.08Å; F228-V234 HydrophobicContact CB-CG2 3.58Å; L229-V234 HydrophobicContact CD2-CG2 3.86Å; L229-V234 HydrophobicContact CG-CG2 3.97Å
235	C	90	Very high	86.7	Confident	14 Å²	14	62 Å²	62	10%	0.095	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.3	173.8	174.2	0	0	0	0	109	E51 N55 K188 L190	E51-C235 HydrophobicContact CG-CB 4.49Å; N55-C235 PolarHBondContact OD1-SG 3.43Å; K188-C235 PolarHBondContact N-O 3.23Å; K188-C235 PolarHBondContact O-N 2.95Å; L190-C235 HydrophobicContact CD1-CB 4.14Å; L190-C235 HydrophobicContact CD2-CB 4.09Å; L190-C235 HydrophobicContact CG-CB 4.18Å
236	L	89.8	Confident	86.5	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	149.5	179.2	-56.4	-178.1	0	0	0	110.9	T54 N55 N58 A59 V185 F186 A187 F222 L225 L229	T54-L236 WeakPolarHBondContact CG2-O 3.3Å; N55-L236 PolarHBondContact OD1-N 3.43Å; N58-L236 HydrophobicContact CB-CB 3.74Å; N58-L236 HydrophobicContact CB-CD1 4.3Å; A59-L236 HydrophobicContact CB-CD1 3.88Å; V185-L236 HydrophobicContact CB-CD2 4.39Å; V185-L236 HydrophobicContact CG2-CD2 3.8Å; F186-L236 CarbonylContact O-C 3.58Å; F186-L236 WeakPolarHBondContact O-CA 3.39Å; A187-L236 HydrophobicContact CB-CD2 4.47Å; F222-L236 HydrophobicContact CD2-CD1 4.29Å; F222-L236 HydrophobicContact CE2-CD1 4Å; L225-L236 HydrophobicContact CD1-CD2 4.29Å; L229-L236 HydrophobicContact CD1-CD1 4.32Å; L229-L236 HydrophobicContact CD1-CD2 4.24Å; L229-L236 HydrophobicContact CD1-CG 4.31Å; L229-L236 HydrophobicContact CD2-CD2 4.11Å; L229-L236 HydrophobicContact CD2-CG 3.94Å
237	K	83.9	Confident	86.6	Confident	85 Å²	85	63.6 Å²	63.6	37%	0.37	28%	0.282	S	S	.	.			trans	-123.7	0	-176.7	-169.8	179.2	174.4	-171.8	0	113.4	N58 F186 Q217	N58-K237 PolarHBondContact ND2-OXT 2.9Å; F186-K237 HydrophobicContact CB-CB 4.25Å; F186-K237 PolarHBondContact O-N 3.43Å; Q217-K237 HydrophobicContact CG-CD 4.32Å

Retrieved 237 of 237 residues in 172.1 ms (Link to these results)

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