A0A077ZFR8_TRITR Loading...

receptor protein serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A077ZFR8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 686 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	39.7	Very low	51.9	Low	151 Å²	151	121.9 Å²	121.9	74%	0.744	59%	0.594	S	S	*	*				0	-86.1	0	-65.9	-46.1	-159.4	0	0	112.6	K3 I4 W5 L122	M1-K3 PolarHBondContact O-N 3.35Å; M1-K3 VanDerWaalsContact O-N 3.1Å; M1-I4 WeakPolarHBondContact O-CA 3.31Å; M1-I4 WeakPolarHBondContact O-CB 3.27Å; M1-I4 PolarHBondContact O-N 3.5Å; M1-W5 PolarHBondContact O-N 3.15Å; M1-W5 VanDerWaalsContact O-N 3.1Å; M1-L122 HydrophobicContact CE-CD2 4.3Å
2	L	43.9	Very low	52.1	Low	154 Å²	154	115.4 Å²	115.4	81%	0.806	56%	0.564	S	S	*	*	H	α-helix	trans	-45.4	-49.3	-167.1	-100.8	70.5	0	0	0	116.4	I4 W5 A6	L2-I4 PolarHBondContact O-N 2.73Å; L2-W5 WeakPolarHBondContact O-CA 3.48Å; L2-W5 WeakPolarHBondContact O-CB 3.18Å; L2-W5 PolarHBondContact O-N 2.83Å; L2-A6 PolarHBondContact O-N 2.93Å
3	K	50.3	Low	52.7	Low	187 Å²	187	113.9 Å²	113.9	81%	0.813	55%	0.553	S	S	*	*	H	α-helix	trans	-61.3	-27.7	178.6	-70.3	-171.6	175.2	-175.2	0	114.4	M1 K7	M1-K3 PolarHBondContact O-N 3.35Å; M1-K3 VanDerWaalsContact O-N 3.1Å; K3-K7 PolarHBondContact O-N 3.17Å
4	I	58.3	Low	53.2	Low	105 Å²	105	112.6 Å²	112.6	54%	0.538	55%	0.549	S	S	.	.	H	α-helix	trans	-79.1	-40.5	173.8	-65.3	164.9	0	0	0	109.8	M1 L2 A6 K7 L8	M1-I4 WeakPolarHBondContact O-CA 3.31Å; M1-I4 WeakPolarHBondContact O-CB 3.27Å; M1-I4 PolarHBondContact O-N 3.5Å; L2-I4 PolarHBondContact O-N 2.73Å; I4-A6 PolarHBondContact O-N 3.49Å; I4-K7 PolarHBondContact O-N 2.79Å; I4-L8 HydrophobicContact CG2-CD1 3.75Å; I4-L8 PolarHBondContact O-N 3.47Å; I4-L8 VanDerWaalsContact O-N 3.08Å
5	W	46.2	Very low	53.7	Low	148 Å²	148	110.4 Å²	110.4	56%	0.561	53%	0.533	S	S	*	.	H	α-helix	trans	-58.8	-47.5	175.7	-131.2	79.8	0	0	0	111.1	M1 L2 L8 F9	M1-W5 PolarHBondContact O-N 3.15Å; M1-W5 VanDerWaalsContact O-N 3.1Å; L2-W5 WeakPolarHBondContact O-CA 3.48Å; L2-W5 WeakPolarHBondContact O-CB 3.18Å; L2-W5 PolarHBondContact O-N 2.83Å; W5-L8 PolarHBondContact O-N 2.94Å; W5-F9 AromaticContact CD2-CD2 3.71Å; W5-F9 HydrophobicContact CD2-CD2 3.71Å; W5-F9 HydrophobicContact CD2-CE2 4.03Å; W5-F9 HydrophobicContact CD2-CG 4.5Å; W5-F9 AromaticContact CE2-CD2 3.84Å; W5-F9 AromaticContact CE2-CE2 3.64Å; W5-F9 HydrophobicContact CE3-CB 4.3Å; W5-F9 AromaticContact CE3-CD2 3.73Å; W5-F9 HydrophobicContact CE3-CD2 3.73Å; W5-F9 HydrophobicContact CE3-CE2 4.3Å; W5-F9 HydrophobicContact CE3-CG 4.07Å; W5-F9 HydrophobicContact CG-CD2 4.33Å; W5-F9 HydrophobicContact CH2-CD1 4.46Å; W5-F9 HydrophobicContact CH2-CD2 4.05Å; W5-F9 HydrophobicContact CH2-CE1 4.33Å; W5-F9 AromaticContact CH2-CE2 3.91Å; W5-F9 HydrophobicContact CH2-CE2 3.91Å; W5-F9 HydrophobicContact CH2-CG 4.33Å; W5-F9 HydrophobicContact CH2-CZ 4.06Å; W5-F9 HydrophobicContact CZ2-CD2 4.03Å; W5-F9 AromaticContact CZ2-CE2 3.59Å; W5-F9 HydrophobicContact CZ2-CE2 3.59Å; W5-F9 AromaticContact CZ2-CZ 3.96Å; W5-F9 HydrophobicContact CZ2-CZ 3.96Å; W5-F9 HydrophobicContact CZ3-CB 4.43Å; W5-F9 HydrophobicContact CZ3-CD1 4.38Å; W5-F9 AromaticContact CZ3-CD2 3.9Å; W5-F9 HydrophobicContact CZ3-CD2 3.9Å; W5-F9 HydrophobicContact CZ3-CE2 4.24Å; W5-F9 AromaticContact CZ3-CG 3.97Å; W5-F9 HydrophobicContact CZ3-CG 3.97Å; W5-F9 WeakPolarHBondContact O-CB 3.48Å; W5-F9 PolarHBondContact O-N 3.05Å
6	A	52.2	Low	54.3	Low	58 Å²	58	108.1 Å²	108.1	48%	0.479	53%	0.528	S	S	.	.	H	α-helix	trans	-56.9	-52.3	174.3	0	0	0	0	0	112	L2 I4 L8 F10	L2-A6 PolarHBondContact O-N 2.93Å; I4-A6 PolarHBondContact O-N 3.49Å; A6-L8 PolarHBondContact O-N 3.15Å; A6-F10 WeakPolarHBondContact O-CB 3.32Å; A6-F10 PolarHBondContact O-N 3.15Å
7	K	55	Low	54.5	Low	177 Å²	177	104.5 Å²	104.5	77%	0.77	51%	0.507	S	S	*	.	H	α-helix	trans	-64.4	-20.7	-178.9	-75.1	-162.3	171	-157.9	0	115	K3 I4 P11	K3-K7 PolarHBondContact O-N 3.17Å; I4-K7 PolarHBondContact O-N 2.79Å; K7-P11 WeakPolarHBondContact O-CD 3.38Å
8	L	52.5	Low	54.7	Low	98 Å²	98	101.9 Å²	101.9	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-100.5	-32.8	178.8	-73.6	166.3	0	0	0	113.8	I4 W5 A6 M118	I4-L8 HydrophobicContact CG2-CD1 3.75Å; I4-L8 PolarHBondContact O-N 3.47Å; I4-L8 VanDerWaalsContact O-N 3.08Å; W5-L8 PolarHBondContact O-N 2.94Å; A6-L8 PolarHBondContact O-N 3.15Å; L8-M118 HydrophobicContact CB-CE 4.45Å; L8-M118 HydrophobicContact CD1-CE 3.56Å
9	F	56.7	Low	54.9	Low	84 Å²	84	100.3 Å²	100.3	37%	0.368	49%	0.489	S	S	.	.	H	α-helix	trans	-88.7	-24.6	177.9	-89.4	-88.8	0	0	0	114.3	W5 L12 F13	W5-F9 AromaticContact CD2-CD2 3.71Å; W5-F9 HydrophobicContact CD2-CD2 3.71Å; W5-F9 HydrophobicContact CD2-CE2 4.03Å; W5-F9 HydrophobicContact CD2-CG 4.5Å; W5-F9 AromaticContact CE2-CD2 3.84Å; W5-F9 AromaticContact CE2-CE2 3.64Å; W5-F9 HydrophobicContact CE3-CB 4.3Å; W5-F9 AromaticContact CE3-CD2 3.73Å; W5-F9 HydrophobicContact CE3-CD2 3.73Å; W5-F9 HydrophobicContact CE3-CE2 4.3Å; W5-F9 HydrophobicContact CE3-CG 4.07Å; W5-F9 HydrophobicContact CG-CD2 4.33Å; W5-F9 HydrophobicContact CH2-CD1 4.46Å; W5-F9 HydrophobicContact CH2-CD2 4.05Å; W5-F9 HydrophobicContact CH2-CE1 4.33Å; W5-F9 AromaticContact CH2-CE2 3.91Å; W5-F9 HydrophobicContact CH2-CE2 3.91Å; W5-F9 HydrophobicContact CH2-CG 4.33Å; W5-F9 HydrophobicContact CH2-CZ 4.06Å; W5-F9 HydrophobicContact CZ2-CD2 4.03Å; W5-F9 AromaticContact CZ2-CE2 3.59Å; W5-F9 HydrophobicContact CZ2-CE2 3.59Å; W5-F9 AromaticContact CZ2-CZ 3.96Å; W5-F9 HydrophobicContact CZ2-CZ 3.96Å; W5-F9 HydrophobicContact CZ3-CB 4.43Å; W5-F9 HydrophobicContact CZ3-CD1 4.38Å; W5-F9 AromaticContact CZ3-CD2 3.9Å; W5-F9 HydrophobicContact CZ3-CD2 3.9Å; W5-F9 HydrophobicContact CZ3-CE2 4.24Å; W5-F9 AromaticContact CZ3-CG 3.97Å; W5-F9 HydrophobicContact CZ3-CG 3.97Å; W5-F9 WeakPolarHBondContact O-CB 3.48Å; W5-F9 PolarHBondContact O-N 3.05Å; F9-L12 HydrophobicContact CD1-CD2 3.94Å; F9-L12 HydrophobicContact CE1-CD2 3.93Å; F9-L12 PolarHBondContact O-N 2.83Å; F9-F13 WeakPolarHBondContact O-CB 3.49Å; F9-F13 PolarHBondContact O-N 3.07Å
10	F	57.2	Low	55	Low	105 Å²	105	98.6 Å²	98.6	46%	0.461	48%	0.482	S	S	.	.	H	α-helix	trans	-63.3	-42.4	179.2	-163.4	-102	0	0	0	113	A6 L12 F13 L14	A6-F10 WeakPolarHBondContact O-CB 3.32Å; A6-F10 PolarHBondContact O-N 3.15Å; F10-L12 VanDerWaalsContact C-N 3.34Å; F10-L12 PolarHBondContact O-N 3.06Å; F10-F13 PolarHBondContact O-N 2.91Å; F10-L14 HydrophobicContact CD1-CD1 3.76Å; F10-L14 HydrophobicContact CE1-CD1 3.6Å; F10-L14 HydrophobicContact CZ-CD1 4.42Å; F10-L14 WeakPolarHBondContact O-CB 3.26Å; F10-L14 PolarHBondContact O-N 3.1Å
11	P	58.6	Low	55	Low	74 Å²	74	95.2 Å²	95.2	48%	0.481	47%	0.471	S	S	.	.	H	α-helix	trans	-62.2	-37.6	172.1	-23	35	0	0	0	113.3	K7 L14 Y15	K7-P11 WeakPolarHBondContact O-CD 3.38Å; P11-L14 PolarHBondContact O-N 2.87Å; P11-Y15 WeakPolarHBondContact O-CB 3.33Å; P11-Y15 PolarHBondContact O-N 3.07Å
12	L	55.2	Low	56	Low	44 Å²	44	91.4 Å²	91.4	23%	0.23	45%	0.452	C	S	.	.	H	α-helix	trans	-66.6	-43.3	176.1	177.2	62.5	0	0	0	111.9	F9 F10 L14 Y15 V16 F111	F9-L12 HydrophobicContact CD1-CD2 3.94Å; F9-L12 HydrophobicContact CE1-CD2 3.93Å; F9-L12 PolarHBondContact O-N 2.83Å; F10-L12 VanDerWaalsContact C-N 3.34Å; F10-L12 PolarHBondContact O-N 3.06Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 2.96Å; L12-Y15 PolarHBondContact O-N 3.36Å; L12-V16 HydrophobicContact CD1-CG2 4.21Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.48Å; L12-F111 HydrophobicContact CD1-CD2 4.09Å; L12-F111 HydrophobicContact CD1-CE2 3.47Å; L12-F111 VanDerWaalsContact CD1-CE2 3.47Å; L12-F111 HydrophobicContact CD1-CZ 3.93Å; L12-F111 HydrophobicContact CD2-CE2 3.64Å; L12-F111 HydrophobicContact CD2-CZ 3.65Å; L12-F111 HydrophobicContact CG-CE2 4.09Å; L12-F111 HydrophobicContact CG-CZ 4.43Å
13	F	59.9	Low	56.5	Low	96 Å²	96	87.7 Å²	87.7	42%	0.421	44%	0.439	S	S	.	.	H	α-helix	trans	-62.7	-41.6	177	-176.1	-88.5	0	0	0	110.9	F9 F10 R17 I68	F9-F13 WeakPolarHBondContact O-CB 3.49Å; F9-F13 PolarHBondContact O-N 3.07Å; F10-F13 PolarHBondContact O-N 2.91Å; F13-R17 HydrophobicContact CD1-CG 4.05Å; F13-R17 HydrophobicContact CE1-CG 3.79Å; F13-R17 HydrophobicContact CZ-CG 4.24Å; F13-R17 VanDerWaalsContact O-CB 3.28Å; F13-R17 WeakPolarHBondContact O-CB 3.34Å; F13-R17 WeakPolarHBondContact O-CG 3.43Å; F13-R17 PolarHBondContact O-N 3.14Å; F13-I68 HydrophobicContact CE1-CD1 3.71Å; F13-I68 HydrophobicContact CZ-CD1 3.84Å
14	L	59.7	Low	56.6	Low	95 Å²	95	79.4 Å²	79.4	50%	0.497	41%	0.405	S	S	.	.	H	α-helix	trans	-60.1	-46.1	169.9	-95	156.4	0	0	0	112.2	F10 P11 L12 R17 L18	F10-L14 HydrophobicContact CD1-CD1 3.76Å; F10-L14 HydrophobicContact CE1-CD1 3.6Å; F10-L14 HydrophobicContact CZ-CD1 4.42Å; F10-L14 WeakPolarHBondContact O-CB 3.26Å; F10-L14 PolarHBondContact O-N 3.1Å; P11-L14 PolarHBondContact O-N 2.87Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 2.96Å; L14-R17 CarbonylContact O-C 3.57Å; L14-R17 PolarHBondContact O-N 3.24Å; L14-L18 VanDerWaalsContact O-CB 3.27Å; L14-L18 WeakPolarHBondContact O-CB 3.46Å; L14-L18 PolarHBondContact O-N 3.43Å
15	Y	60.3	Low	56.3	Low	80 Å²	80	80 Å²	80	31%	0.314	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-44.7	179.9	-179.9	-102.2	0	0	0	113	P11 L12 L18 L19 C107	P11-Y15 WeakPolarHBondContact O-CB 3.33Å; P11-Y15 PolarHBondContact O-N 3.07Å; L12-Y15 PolarHBondContact O-N 3.36Å; Y15-L18 WeakPolarHBondContact O-CB 3.47Å; Y15-L18 PolarHBondContact O-N 3.05Å; Y15-L19 HydrophobicContact CD1-CD1 4.05Å; Y15-L19 HydrophobicContact CE1-CD1 3.42Å; Y15-L19 VanDerWaalsContact CE1-CD1 3.42Å; Y15-L19 HydrophobicContact CE1-CG 4.15Å; Y15-L19 HydrophobicContact CE2-CG 4.48Å; Y15-L19 PolarHBondContact O-N 3.42Å; Y15-C107 HydrophobicContact CE2-CB 4.25Å; Y15-C107 VanDerWaalsContact OH-CB 3.28Å; Y15-C107 WeakPolarHBondContact OH-CB 3.45Å
16	V	63	Low	56.7	Low	74 Å²	74	79.7 Å²	79.7	45%	0.448	40%	0.403	S	S	.	.	H	α-helix	trans	-66.6	-38.2	175.6	175.9	0	0	0	0	111.2	L12 L18 N20	L12-V16 HydrophobicContact CD1-CG2 4.21Å; L12-V16 WeakPolarHBondContact O-CG2 3.4Å; L12-V16 PolarHBondContact O-N 3.48Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-N20 PolarHBondContact O-N 3.32Å; V16-N20 VanDerWaalsContact O-N 3.11Å
17	R	58.7	Low	56.7	Low	47 Å²	47	81.4 Å²	81.4	18%	0.177	40%	0.4	C	S	.	.	H	α-helix	trans	-64.3	-36.8	172.4	-73.1	-85.1	172.3	179.3	-5.3	112	F13 L14 A21 Q64 C65	F13-R17 HydrophobicContact CD1-CG 4.05Å; F13-R17 HydrophobicContact CE1-CG 3.79Å; F13-R17 HydrophobicContact CZ-CG 4.24Å; F13-R17 VanDerWaalsContact O-CB 3.28Å; F13-R17 WeakPolarHBondContact O-CB 3.34Å; F13-R17 WeakPolarHBondContact O-CG 3.43Å; F13-R17 PolarHBondContact O-N 3.14Å; L14-R17 CarbonylContact O-C 3.57Å; L14-R17 PolarHBondContact O-N 3.24Å; R17-A21 VanDerWaalsContact O-CB 3.29Å; R17-A21 WeakPolarHBondContact O-CB 3.29Å; R17-A21 PolarHBondContact O-N 3.18Å; R17-Q64 VanDerWaalsContact NH1-CB 3.35Å; R17-C65 VanDerWaalsContact CD-SG 3.58Å
18	L	56.8	Low	56.5	Low	58 Å²	58	74.3 Å²	74.3	30%	0.304	37%	0.37	S	S	.	.	H	α-helix	trans	-70	-47.1	178.9	-168.2	76.2	0	0	0	111.2	L14 Y15 V16 N20 A21 I22 F86	L14-L18 VanDerWaalsContact O-CB 3.27Å; L14-L18 WeakPolarHBondContact O-CB 3.46Å; L14-L18 PolarHBondContact O-N 3.43Å; Y15-L18 WeakPolarHBondContact O-CB 3.47Å; Y15-L18 PolarHBondContact O-N 3.05Å; V16-L18 VanDerWaalsContact C-N 3.33Å; L18-N20 VanDerWaalsContact C-N 3.33Å; L18-N20 PolarHBondContact O-N 2.96Å; L18-A21 PolarHBondContact O-N 3.49Å; L18-A21 VanDerWaalsContact O-N 3.12Å; L18-I22 HydrophobicContact CD2-CD1 4.5Å; L18-I22 HydrophobicContact CG-CD1 4.07Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.17Å; L18-I22 PolarHBondContact O-N 2.97Å; L18-F86 HydrophobicContact CD2-CE1 3.95Å; L18-F86 HydrophobicContact CD2-CZ 4.08Å
19	L	60.1	Low	56.7	Low	71 Å²	71	72.9 Å²	72.9	37%	0.372	37%	0.368	S	S	.	.	H	α-helix	trans	-57	-45.6	173.6	-79.5	176.1	0	0	0	111.7	Y15 A21 I22 S23	Y15-L19 HydrophobicContact CD1-CD1 4.05Å; Y15-L19 HydrophobicContact CE1-CD1 3.42Å; Y15-L19 VanDerWaalsContact CE1-CD1 3.42Å; Y15-L19 HydrophobicContact CE1-CG 4.15Å; Y15-L19 HydrophobicContact CE2-CG 4.48Å; Y15-L19 PolarHBondContact O-N 3.42Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 2.92Å; L19-I22 PolarHBondContact O-N 3.16Å; L19-S23 VanDerWaalsContact O-CB 3.32Å; L19-S23 WeakPolarHBondContact O-CB 3.28Å; L19-S23 PolarHBondContact O-N 3.11Å
20	N	56.7	Low	56.7	Low	65 Å²	65	72.8 Å²	72.8	35%	0.348	38%	0.378	S	S	.	.	H	α-helix	trans	-68.5	-32.6	176.8	-73.1	14.2	0	0	0	112.3	V16 L18 C24 M61	V16-N20 PolarHBondContact O-N 3.32Å; V16-N20 VanDerWaalsContact O-N 3.11Å; L18-N20 VanDerWaalsContact C-N 3.33Å; L18-N20 PolarHBondContact O-N 2.96Å; N20-C24 VanDerWaalsContact O-CB 3.3Å; N20-C24 WeakPolarHBondContact O-CB 3.19Å; N20-C24 PolarHBondContact O-N 3.45Å; N20-C24 PolarHBondContact O-SG 2.98Å; N20-C24 VanDerWaalsContact O-SG 3.37Å; N20-M61 HydrophobicContact CB-CE 3.49Å; N20-M61 VanDerWaalsContact CB-CE 3.49Å; N20-M61 HydrophobicContact CB-SD 3.71Å; N20-M61 PolarHBondContact ND2-SD 3.11Å
21	A	54.8	Low	56.8	Low	29 Å²	29	73.5 Å²	73.5	24%	0.24	38%	0.383	C	S	.	.	H	α-helix	trans	-68.3	-40.5	173.5	0	0	0	0	0	112.3	R17 L18 L19 R25	R17-A21 VanDerWaalsContact O-CB 3.29Å; R17-A21 WeakPolarHBondContact O-CB 3.29Å; R17-A21 PolarHBondContact O-N 3.18Å; L18-A21 PolarHBondContact O-N 3.49Å; L18-A21 VanDerWaalsContact O-N 3.12Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 2.92Å; A21-R25 WeakPolarHBondContact O-CB 3.5Å; A21-R25 PolarHBondContact O-N 2.91Å
22	I	59.3	Low	56.3	Low	70 Å²	70	72 Å²	72	36%	0.359	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-48.9	173.5	-68.7	163.8	0	0	0	109.8	L18 L19 C24 R25 F26	L18-I22 HydrophobicContact CD2-CD1 4.5Å; L18-I22 HydrophobicContact CG-CD1 4.07Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.17Å; L18-I22 PolarHBondContact O-N 2.97Å; L19-I22 PolarHBondContact O-N 3.16Å; I22-C24 PolarHBondContact O-N 2.68Å; I22-R25 WeakPolarHBondContact O-CA 3.37Å; I22-R25 WeakPolarHBondContact O-CB 3.47Å; I22-R25 PolarHBondContact O-N 3.02Å; I22-F26 HydrophobicContact CG2-CD2 3.9Å; I22-F26 HydrophobicContact CG2-CE2 4Å; I22-F26 WeakPolarHBondContact O-CD2 3.05Å; I22-F26 PolarHBondContact O-N 2.89Å
23	S	55.4	Low	56.2	Low	76 Å²	76	73.7 Å²	73.7	53%	0.531	39%	0.385	S	S	.	.	H	α-helix	trans	-59	-46.9	177.6	-172.5	0	0	0	0	111.9	L19 R25 F26 F27	L19-S23 VanDerWaalsContact O-CB 3.32Å; L19-S23 WeakPolarHBondContact O-CB 3.28Å; L19-S23 PolarHBondContact O-N 3.11Å; S23-R25 VanDerWaalsContact C-N 3.32Å; S23-R25 PolarHBondContact O-N 3.41Å; S23-F26 PolarHBondContact O-N 2.85Å; S23-F27 WeakPolarHBondContact O-CB 3.06Å; S23-F27 PolarHBondContact O-N 2.88Å
24	C	52.2	Low	56.1	Low	13 Å²	13	74.9 Å²	74.9	9%	0.088	41%	0.405	C	S	.	.	H	α-helix	trans	-64.2	-32.2	172.6	-74.2	0	0	0	0	113.1	N20 I22 F27 I28 C58	N20-C24 VanDerWaalsContact O-CB 3.3Å; N20-C24 WeakPolarHBondContact O-CB 3.19Å; N20-C24 PolarHBondContact O-N 3.45Å; N20-C24 PolarHBondContact O-SG 2.98Å; N20-C24 VanDerWaalsContact O-SG 3.37Å; I22-C24 PolarHBondContact O-N 2.68Å; C24-F27 PolarHBondContact O-N 3.48Å; C24-I28 VanDerWaalsContact O-CB 3.28Å; C24-I28 WeakPolarHBondContact O-CB 3.3Å; C24-I28 WeakPolarHBondContact O-CD1 3.48Å; C24-I28 WeakPolarHBondContact O-CG1 3.3Å; C24-I28 PolarHBondContact O-N 3.39Å; C24-C58 VanDerWaalsContact CA-SG 3.59Å; C24-C58 HydrophobicContact CB-CB 3.83Å; C24-C58 WeakPolarHBondContact CB-SG 3.38Å; C24-C58 WeakPolarHBondContact SG-CA 3.4Å; C24-C58 WeakPolarHBondContact SG-CB 3.38Å; C24-C58 CovalentContact SG-SG 2.05Å; C24-C58 PolarHBondContact SG-SG 3.37Å
25	R	51.6	Low	55.9	Low	117 Å²	117	77.1 Å²	77.1	44%	0.442	42%	0.417	S	S	.	.	H	α-helix	trans	-68.7	-42.1	175.4	-163.9	-179.4	-171.7	-165.8	2.1	111.3	A21 I22 S23 S29	A21-R25 WeakPolarHBondContact O-CB 3.5Å; A21-R25 PolarHBondContact O-N 2.91Å; I22-R25 WeakPolarHBondContact O-CA 3.37Å; I22-R25 WeakPolarHBondContact O-CB 3.47Å; I22-R25 PolarHBondContact O-N 3.02Å; S23-R25 VanDerWaalsContact C-N 3.32Å; S23-R25 PolarHBondContact O-N 3.41Å; R25-S29 WeakPolarHBondContact O-CB 3.42Å; R25-S29 PolarHBondContact O-N 3.4Å
26	F	55.1	Low	55.5	Low	142 Å²	142	76.6 Å²	76.6	62%	0.623	42%	0.419	S	S	*	.	H	α-helix	trans	-63.4	-43.5	171.9	-88.8	-80	0	0	0	112	I22 S23 S29 S30	I22-F26 HydrophobicContact CG2-CD2 3.9Å; I22-F26 HydrophobicContact CG2-CE2 4Å; I22-F26 WeakPolarHBondContact O-CD2 3.05Å; I22-F26 PolarHBondContact O-N 2.89Å; S23-F26 PolarHBondContact O-N 2.85Å; F26-S29 PolarHBondContact O-N 3.05Å; F26-S30 PolarHBondContact O-N 3.47Å; F26-S30 PolarHBondContact O-OG 2.96Å
27	F	52.1	Low	54.9	Low	94 Å²	94	77.7 Å²	77.7	41%	0.412	42%	0.423	S	S	.	.	H	α-helix	trans	-66.3	-39.6	178.3	-167.3	-90.4	0	0	0	112.8	S23 C24 S30 Q31 T55	S23-F27 WeakPolarHBondContact O-CB 3.06Å; S23-F27 PolarHBondContact O-N 2.88Å; C24-F27 PolarHBondContact O-N 3.48Å; F27-S30 PolarHBondContact O-OG 3.37Å; F27-S30 VanDerWaalsContact O-OG 3.11Å; F27-Q31 HydrophobicContact CE1-CG 4.29Å; F27-Q31 VanDerWaalsContact O-CG 3.29Å; F27-Q31 WeakPolarHBondContact O-CG 3.48Å; F27-Q31 PolarHBondContact O-N 3.33Å; F27-T55 HydrophobicContact CE1-CG2 4.19Å
28	I	51.8	Low	54.5	Low	28 Å²	28	77 Å²	77	14%	0.144	42%	0.424	C	S	.	.	H	α-helix	trans	-71.7	-39.4	175.9	-69.8	167	0	0	0	110.6	C24 S30 Q31 L32 L42	C24-I28 VanDerWaalsContact O-CB 3.28Å; C24-I28 WeakPolarHBondContact O-CB 3.3Å; C24-I28 WeakPolarHBondContact O-CD1 3.48Å; C24-I28 WeakPolarHBondContact O-CG1 3.3Å; C24-I28 PolarHBondContact O-N 3.39Å; I28-S30 VanDerWaalsContact C-N 3.34Å; I28-S30 PolarHBondContact O-N 3.3Å; I28-Q31 PolarHBondContact O-N 2.91Å; I28-Q31 VanDerWaalsContact O-N 3.14Å; I28-L32 HydrophobicContact CG2-CD1 3.84Å; I28-L32 HydrophobicContact CG2-CG 4.26Å; I28-L32 WeakPolarHBondContact O-CG 3.36Å; I28-L32 PolarHBondContact O-N 3.04Å; I28-L32 VanDerWaalsContact O-N 3.07Å; I28-L42 HydrophobicContact CD1-CD2 4.15Å
29	S	54.9	Low	54.1	Low	68 Å²	68	83.1 Å²	83.1	48%	0.476	44%	0.443	S	S	.	.	H	α-helix	trans	-58.4	-43.5	175.3	-168.7	0	0	0	0	112	R25 F26 Q31 L32	R25-S29 WeakPolarHBondContact O-CB 3.42Å; R25-S29 PolarHBondContact O-N 3.4Å; F26-S29 PolarHBondContact O-N 3.05Å; S29-Q31 PolarHBondContact O-N 3.41Å; S29-L32 PolarHBondContact O-N 2.87Å
30	S	58.3	Low	53.8	Low	83 Å²	83	86 Å²	86	58%	0.58	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.7	178.4	71.7	0	0	0	0	115	F26 F27 I28	F26-S30 PolarHBondContact O-N 3.47Å; F26-S30 PolarHBondContact O-OG 2.96Å; F27-S30 PolarHBondContact O-OG 3.37Å; F27-S30 VanDerWaalsContact O-OG 3.11Å; I28-S30 VanDerWaalsContact C-N 3.34Å; I28-S30 PolarHBondContact O-N 3.3Å
31	Q	58.9	Low	53.6	Low	120 Å²	120	83 Å²	83	56%	0.561	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-9.7	176	-63.9	-62.1	-67.8	0	0	113.1	F27 I28 S29	F27-Q31 HydrophobicContact CE1-CG 4.29Å; F27-Q31 VanDerWaalsContact O-CG 3.29Å; F27-Q31 WeakPolarHBondContact O-CG 3.48Å; F27-Q31 PolarHBondContact O-N 3.33Å; I28-Q31 PolarHBondContact O-N 2.91Å; I28-Q31 VanDerWaalsContact O-N 3.14Å; S29-Q31 PolarHBondContact O-N 3.41Å
32	L	47.1	Very low	53.3	Low	41 Å²	41	84 Å²	84	22%	0.215	44%	0.44	C	S	.	.	S	Bend	trans	-80.9	138.1	177.2	-80.9	165.4	0	0	0	110.8	I28 S29 L36 V38	I28-L32 HydrophobicContact CG2-CD1 3.84Å; I28-L32 HydrophobicContact CG2-CG 4.26Å; I28-L32 WeakPolarHBondContact O-CG 3.36Å; I28-L32 PolarHBondContact O-N 3.04Å; I28-L32 VanDerWaalsContact O-N 3.07Å; S29-L32 PolarHBondContact O-N 2.87Å; L32-L36 HydrophobicContact CD2-CB 4.25Å; L32-L36 HydrophobicContact CD2-CD2 4.24Å; L32-V38 HydrophobicContact CD1-CB 4.23Å; L32-V38 HydrophobicContact CD1-CG1 4.32Å; L32-V38 HydrophobicContact CD1-CG2 3.97Å
33	P	54.1	Low	53	Low	81 Å²	81	86.9 Å²	86.9	53%	0.526	46%	0.456	S	S	.	.			trans	-57.3	142.4	164.3	-20.5	32.4	0	0	0	109.8	N35 L36	P33-N35 PolarHBondContact O-N 2.86Å; P33-L36 HydrophobicContact CB-CD1 4.46Å; P33-L36 PolarHBondContact O-N 3.33Å; P33-L36 VanDerWaalsContact O-N 3.15Å
34	S	57.4	Low	52.7	Low	121 Å²	121	86.2 Å²	86.2	85%	0.846	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-0.5	-177.9	53.2	0	0	0	0	116.5
35	N	55.5	Low	52.5	Low	141 Å²	141	87.3 Å²	87.3	75%	0.754	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-2.4	-169.3	-51.8	-1.2	0	0	0	112.2	P33	P33-N35 PolarHBondContact O-N 2.86Å
36	L	52.1	Low	52.4	Low	69 Å²	69	84.4 Å²	84.4	36%	0.361	47%	0.468	S	S	.	.	S	Bend	trans	-106.5	130.1	176.4	-88.7	73.5	0	0	0	110.7	L32 P33	L32-L36 HydrophobicContact CD2-CB 4.25Å; L32-L36 HydrophobicContact CD2-CD2 4.24Å; P33-L36 HydrophobicContact CB-CD1 4.46Å; P33-L36 PolarHBondContact O-N 3.33Å; P33-L36 VanDerWaalsContact O-N 3.15Å
37	D	50.4	Low	51.9	Low	98 Å²	98	85.1 Å²	85.1	52%	0.524	48%	0.478	S	S	.	.			trans	-57	137.3	157.5	176.3	0.6	0	0	0	108.6	R39 E40 G41	D37-R39 PolarHBondContact O-N 2.98Å; D37-R39 WeakPolarHBondContact OD1-CB 3.45Å; D37-R39 PolarHBondContact OD1-N 3.42Å; D37-R39 VanDerWaalsContact OD2-CB 3.27Å; D37-R39 WeakPolarHBondContact OD2-CB 3.47Å; D37-E40 HydrophobicContact CB-CG 4.5Å; D37-E40 PolarHBondContact O-N 2.96Å; D37-G41 PolarHBondContact O-N 3.44Å
38	V	50.1	Low	51.3	Low	33 Å²	33	84.4 Å²	84.4	20%	0.2	48%	0.481	C	S	.	.	H	α-helix	trans	-52.1	-30	172.6	-176	0	0	0	0	111.4	L32 L42	L32-V38 HydrophobicContact CD1-CB 4.23Å; L32-V38 HydrophobicContact CD1-CG1 4.32Å; L32-V38 HydrophobicContact CD1-CG2 3.97Å; V38-L42 HydrophobicContact CG1-CD1 4.05Å; V38-L42 HydrophobicContact CG1-CG 4.45Å; V38-L42 WeakPolarHBondContact O-CB 3.41Å; V38-L42 VanDerWaalsContact O-CG 3.32Å; V38-L42 WeakPolarHBondContact O-CG 3.44Å; V38-L42 PolarHBondContact O-N 3.17Å
39	R	49	Very low	50.5	Low	186 Å²	186	88.9 Å²	88.9	70%	0.702	52%	0.515	S	S	*	.	H	α-helix	trans	-66.6	-46.7	173.5	-160	-178.9	-173	-172.6	3.2	112.9	D37 L43	D37-R39 PolarHBondContact O-N 2.98Å; D37-R39 WeakPolarHBondContact OD1-CB 3.45Å; D37-R39 PolarHBondContact OD1-N 3.42Å; D37-R39 VanDerWaalsContact OD2-CB 3.27Å; D37-R39 WeakPolarHBondContact OD2-CB 3.47Å; R39-L43 HydrophobicContact CG-CD1 4.45Å; R39-L43 WeakPolarHBondContact O-CB 3.47Å; R39-L43 WeakPolarHBondContact O-CD1 3.23Å; R39-L43 VanDerWaalsContact O-CG 3.26Å; R39-L43 WeakPolarHBondContact O-CG 3.36Å; R39-L43 PolarHBondContact O-N 3.45Å; R39-L43 VanDerWaalsContact O-N 3.1Å
40	E	52	Low	49.8	Very low	130 Å²	130	92.8 Å²	92.8	61%	0.607	53%	0.53	S	S	*	.	H	α-helix	trans	-68.6	-35.7	173.8	-72.1	-125.2	129.4	0	0	111.6	D37 L43 S44	D37-E40 HydrophobicContact CB-CG 4.5Å; D37-E40 PolarHBondContact O-N 2.96Å; E40-L43 PolarHBondContact O-N 3.46Å; E40-S44 VanDerWaalsContact O-CB 3.31Å; E40-S44 WeakPolarHBondContact O-CB 3.43Å; E40-S44 PolarHBondContact O-N 3.02Å; E40-S44 PolarHBondContact O-OG 3.13Å
41	G	54.5	Low	48.9	Very low	4 Å²	4	93.2 Å²	93.2	4%	0.041	53%	0.525	C	S	.	.	H	α-helix	trans	-58.7	-49.3	172.9	0	0	0	0	0	112.6	D37 L43 S44 A45	D37-G41 PolarHBondContact O-N 3.44Å; G41-L43 VanDerWaalsContact C-N 3.34Å; G41-L43 PolarHBondContact O-N 2.91Å; G41-S44 PolarHBondContact O-OG 3.18Å; G41-A45 WeakPolarHBondContact O-CB 3.38Å; G41-A45 PolarHBondContact O-N 2.74Å
42	L	48.4	Very low	48.2	Very low	49 Å²	49	91 Å²	91	26%	0.257	53%	0.527	S	S	.	.	H	α-helix	trans	-67.7	-31.7	177.5	-76	168	0	0	0	113.2	I28 V38 F59	I28-L42 HydrophobicContact CD1-CD2 4.15Å; V38-L42 HydrophobicContact CG1-CD1 4.05Å; V38-L42 HydrophobicContact CG1-CG 4.45Å; V38-L42 WeakPolarHBondContact O-CB 3.41Å; V38-L42 VanDerWaalsContact O-CG 3.32Å; V38-L42 WeakPolarHBondContact O-CG 3.44Å; V38-L42 PolarHBondContact O-N 3.17Å; L42-F59 HydrophobicContact CD2-CE2 4.29Å
43	L	51.5	Low	48.2	Very low	131 Å²	131	95.5 Å²	95.5	69%	0.686	55%	0.551	S	S	*	*	H	α-helix	trans	-75.7	-40.5	176.3	-71.6	169	0	0	0	112.4	R39 E40 G41 G46	R39-L43 HydrophobicContact CG-CD1 4.45Å; R39-L43 WeakPolarHBondContact O-CB 3.47Å; R39-L43 WeakPolarHBondContact O-CD1 3.23Å; R39-L43 VanDerWaalsContact O-CG 3.26Å; R39-L43 WeakPolarHBondContact O-CG 3.36Å; R39-L43 PolarHBondContact O-N 3.45Å; R39-L43 VanDerWaalsContact O-N 3.1Å; E40-L43 PolarHBondContact O-N 3.46Å; G41-L43 VanDerWaalsContact C-N 3.34Å; G41-L43 PolarHBondContact O-N 2.91Å; L43-G46 PolarHBondContact O-N 3.22Å
44	S	49.3	Very low	47.9	Very low	62 Å²	62	93.2 Å²	93.2	43%	0.434	54%	0.542	S	S	.	.	H	α-helix	trans	-73.6	-36.4	178.1	58.1	0	0	0	0	113	E40 G41 G46 N47	E40-S44 VanDerWaalsContact O-CB 3.31Å; E40-S44 WeakPolarHBondContact O-CB 3.43Å; E40-S44 PolarHBondContact O-N 3.02Å; E40-S44 PolarHBondContact O-OG 3.13Å; G41-S44 PolarHBondContact O-OG 3.18Å; S44-G46 PolarHBondContact O-N 3.46Å; S44-N47 PolarHBondContact O-N 3.26Å; S44-N47 VanDerWaalsContact O-N 3.15Å
45	A	49.3	Very low	47.6	Very low	35 Å²	35	88.8 Å²	88.8	29%	0.289	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-57.2	-22	174.7	0	0	0	0	0	113.5	G41 N47 V48 F59	G41-A45 WeakPolarHBondContact O-CB 3.38Å; G41-A45 PolarHBondContact O-N 2.74Å; A45-N47 PolarHBondContact O-N 3Å; A45-V48 PolarHBondContact O-N 3.43Å; A45-V48 VanDerWaalsContact O-N 3.15Å; A45-F59 HydrophobicContact CB-CE2 3.81Å; A45-F59 HydrophobicContact CB-CZ 4.18Å
46	G	47.8	Very low	47.3	Very low	57 Å²	57	88.5 Å²	88.5	59%	0.588	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-58.1	-15.8	174.8	0	0	0	0	0	115.5	L43 S44	L43-G46 PolarHBondContact O-N 3.22Å; S44-G46 PolarHBondContact O-N 3.46Å
47	N	45.8	Very low	47	Very low	156 Å²	156	92 Å²	92	83%	0.834	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-114.3	-2	176.7	-85.2	-30.2	0	0	0	114.7	S44 A45 S49	S44-N47 PolarHBondContact O-N 3.26Å; S44-N47 VanDerWaalsContact O-N 3.15Å; A45-N47 PolarHBondContact O-N 3Å; N47-S49 PolarHBondContact O-N 3.08Å
48	V	39.8	Very low	46.9	Very low	80 Å²	80	88.1 Å²	88.1	49%	0.485	50%	0.499	S	S	.	.			trans	-99.6	95.2	-172.7	-167	0	0	0	0	111.2	A45 L50 I51	A45-V48 PolarHBondContact O-N 3.43Å; A45-V48 VanDerWaalsContact O-N 3.15Å; V48-L50 HydrophobicContact CG1-CB 4.22Å; V48-L50 PolarHBondContact O-N 3.23Å; V48-I51 HydrophobicContact CB-CD1 3.84Å; V48-I51 HydrophobicContact CG1-CD1 3.51Å
49	S	34.7	Very low	47	Very low	122 Å²	122	90.6 Å²	90.6	85%	0.853	51%	0.507	S	S	*	.			trans	-74.5	30.6	-179.4	53.2	0	0	0	0	114.8	N47	N47-S49 PolarHBondContact O-N 3.08Å
50	L	40	Very low	47.1	Very low	150 Å²	150	85.4 Å²	85.4	79%	0.785	50%	0.496	S	S	*	.			trans	-150.4	33.3	-156.8	-113.1	169.3	0	0	0	116.2	V48	V48-L50 HydrophobicContact CG1-CB 4.22Å; V48-L50 PolarHBondContact O-N 3.23Å
51	I	38.5	Very low	46.8	Very low	92 Å²	92	81.3 Å²	81.3	47%	0.472	48%	0.477	S	S	.	.	S	Bend	trans	-124.1	150	168	-48.2	89.8	0	0	0	110.1	V48 T55	V48-I51 HydrophobicContact CB-CD1 3.84Å; V48-I51 HydrophobicContact CG1-CD1 3.51Å; I51-T55 WeakPolarHBondContact CB-OG1 3.43Å; I51-T55 HydrophobicContact CG2-CG2 3.99Å; I51-T55 WeakPolarHBondContact CG2-OG1 3.29Å
52	A	44	Very low	46.7	Very low	73 Å²	73	85 Å²	85	60%	0.603	49%	0.493	S	S	*	.			trans	-55.5	160.1	-166.6	0	0	0	0	0	116.1	G54 T55	A52-G54 PolarHBondContact O-N 3.48Å; A52-T55 PolarHBondContact O-N 3.49Å; A52-T55 PolarHBondContact O-OG1 3.01Å
53	N	47.7	Very low	46.9	Very low	136 Å²	136	89.9 Å²	89.9	73%	0.727	51%	0.512	S	S	*	.	H	α-helix	trans	-43.9	-41.9	-174.4	-60.4	1.9	0	0	0	114.5	T55 Q56 E57	N53-T55 PolarHBondContact O-N 3.25Å; N53-Q56 WeakPolarHBondContact O-CB 3.48Å; N53-Q56 PolarHBondContact O-N 3.03Å; N53-E57 PolarHBondContact O-N 3.45Å
54	G	48.8	Very low	46.8	Very low	32 Å²	32	87.8 Å²	87.8	33%	0.33	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-34.8	179.5	0	0	0	0	0	114.7	A52 Q56 E57 C58	A52-G54 PolarHBondContact O-N 3.48Å; G54-Q56 VanDerWaalsContact C-N 3.27Å; G54-Q56 PolarHBondContact O-N 2.89Å; G54-E57 PolarHBondContact O-N 3.2Å; G54-C58 PolarHBondContact O-N 3Å
55	T	49.9	Very low	46.6	Very low	28 Å²	28	86.8 Å²	86.8	17%	0.172	49%	0.491	C	S	.	.	H	α-helix	trans	-66.2	-30.7	173.5	34.4	0	0	0	0	112.6	F27 I51 A52 N53 C58 F59	F27-T55 HydrophobicContact CE1-CG2 4.19Å; I51-T55 WeakPolarHBondContact CB-OG1 3.43Å; I51-T55 HydrophobicContact CG2-CG2 3.99Å; I51-T55 WeakPolarHBondContact CG2-OG1 3.29Å; A52-T55 PolarHBondContact O-N 3.49Å; A52-T55 PolarHBondContact O-OG1 3.01Å; N53-T55 PolarHBondContact O-N 3.25Å; T55-C58 PolarHBondContact O-N 3.03Å; T55-F59 PolarHBondContact O-N 3.04Å
56	Q	49	Very low	46.6	Very low	135 Å²	135	89.4 Å²	89.4	63%	0.631	50%	0.499	S	S	*	.	H	α-helix	trans	-72.2	-33	179.4	-161.3	172.6	13.7	0	0	111.9	N53 G54 T60	N53-Q56 WeakPolarHBondContact O-CB 3.48Å; N53-Q56 PolarHBondContact O-N 3.03Å; G54-Q56 VanDerWaalsContact C-N 3.27Å; G54-Q56 PolarHBondContact O-N 2.89Å; Q56-T60 WeakPolarHBondContact O-CB 3.49Å; Q56-T60 PolarHBondContact O-N 3.38Å; Q56-T60 PolarHBondContact O-OG1 3.26Å
57	E	47.5	Very low	46.5	Very low	143 Å²	143	90.9 Å²	90.9	67%	0.668	50%	0.497	S	S	*	.	H	α-helix	trans	-66.7	-47.2	171.9	-64.9	-174.2	134.3	0	0	111.5	N53 G54 F59 T60 M61	N53-E57 PolarHBondContact O-N 3.45Å; G54-E57 PolarHBondContact O-N 3.2Å; E57-F59 PolarHBondContact O-N 3.35Å; E57-T60 PolarHBondContact O-N 3.27Å; E57-T60 VanDerWaalsContact O-N 3.17Å; E57-M61 PolarHBondContact O-N 3.46Å
58	C	46.3	Very low	46.4	Very low	17 Å²	17	86.9 Å²	86.9	12%	0.115	48%	0.475	C	S	.	.	H	α-helix	trans	-58.5	-44.7	173.8	-85	0	0	0	0	112.3	C24 G54 T55 T60 M61 F62	C24-C58 VanDerWaalsContact CA-SG 3.59Å; C24-C58 HydrophobicContact CB-CB 3.83Å; C24-C58 WeakPolarHBondContact CB-SG 3.38Å; C24-C58 WeakPolarHBondContact SG-CA 3.4Å; C24-C58 WeakPolarHBondContact SG-CB 3.38Å; C24-C58 CovalentContact SG-SG 2.05Å; C24-C58 PolarHBondContact SG-SG 3.37Å; G54-C58 PolarHBondContact O-N 3Å; T55-C58 PolarHBondContact O-N 3.03Å; C58-T60 VanDerWaalsContact C-N 3.32Å; C58-T60 PolarHBondContact O-N 3.44Å; C58-M61 PolarHBondContact O-N 3.47Å; C58-F62 WeakPolarHBondContact O-CB 3.34Å; C58-F62 PolarHBondContact O-N 3.11Å
59	F	52.5	Low	46.5	Very low	85 Å²	85	90.9 Å²	90.9	37%	0.373	48%	0.481	S	S	.	.	H	α-helix	trans	-62	-39.2	176	-123.2	-84.9	0	0	0	112.2	L42 A45 T55 E57 F62 K63	L42-F59 HydrophobicContact CD2-CE2 4.29Å; A45-F59 HydrophobicContact CB-CE2 3.81Å; A45-F59 HydrophobicContact CB-CZ 4.18Å; T55-F59 PolarHBondContact O-N 3.04Å; E57-F59 PolarHBondContact O-N 3.35Å; F59-F62 PolarHBondContact O-N 3.39Å; F59-K63 VanDerWaalsContact O-CB 3.3Å; F59-K63 WeakPolarHBondContact O-CB 3.4Å; F59-K63 PolarHBondContact O-N 3.06Å
60	T	52.4	Low	47	Very low	76 Å²	76	93.6 Å²	93.6	47%	0.466	48%	0.478	S	S	.	.	H	α-helix	trans	-67.3	-42	177.7	-58.7	0	0	0	0	111.5	Q56 E57 C58 Q64	Q56-T60 WeakPolarHBondContact O-CB 3.49Å; Q56-T60 PolarHBondContact O-N 3.38Å; Q56-T60 PolarHBondContact O-OG1 3.26Å; E57-T60 PolarHBondContact O-N 3.27Å; E57-T60 VanDerWaalsContact O-N 3.17Å; C58-T60 VanDerWaalsContact C-N 3.32Å; C58-T60 PolarHBondContact O-N 3.44Å; T60-Q64 WeakPolarHBondContact O-CG 3.32Å; T60-Q64 PolarHBondContact O-N 2.05Å
61	M	46.2	Very low	47.5	Very low	44 Å²	44	96.1 Å²	96.1	22%	0.217	48%	0.478	C	S	.	.	H	α-helix	trans	-61.2	-47.5	172.8	-86.1	-146.3	61.5	0	0	112.3	N20 E57 C58 K63 Q64 C65	N20-M61 HydrophobicContact CB-CE 3.49Å; N20-M61 VanDerWaalsContact CB-CE 3.49Å; N20-M61 HydrophobicContact CB-SD 3.71Å; N20-M61 PolarHBondContact ND2-SD 3.11Å; E57-M61 PolarHBondContact O-N 3.46Å; C58-M61 PolarHBondContact O-N 3.47Å; M61-K63 VanDerWaalsContact C-N 3.35Å; M61-K63 PolarHBondContact O-N 2.86Å; M61-Q64 WeakPolarHBondContact O-CB 3.3Å; M61-Q64 PolarHBondContact O-N 3.37Å; M61-C65 PolarHBondContact O-N 3.15Å; M61-C65 PolarHBondContact O-SG 3.22Å
62	F	50.7	Low	47.8	Very low	83 Å²	83	95.9 Å²	95.9	36%	0.364	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-42.7	-179.7	-152.1	-90.1	0	0	0	111.4	C58 F59 Q64 C65 I66	C58-F62 WeakPolarHBondContact O-CB 3.34Å; C58-F62 PolarHBondContact O-N 3.11Å; F59-F62 PolarHBondContact O-N 3.39Å; F62-Q64 VanDerWaalsContact C-N 3.35Å; F62-Q64 PolarHBondContact O-N 3.37Å; F62-C65 WeakPolarHBondContact O-CB 3.29Å; F62-C65 PolarHBondContact O-N 3.47Å; F62-I66 HydrophobicContact CD1-CD1 3.88Å; F62-I66 HydrophobicContact CE1-CD1 4Å; F62-I66 PolarHBondContact O-N 2.88Å; F62-I66 VanDerWaalsContact O-N 3.13Å
63	K	53.4	Low	47.8	Very low	151 Å²	151	97.8 Å²	97.8	66%	0.657	48%	0.484	S	S	*	.	H	α-helix	trans	-63.5	-38.1	175.9	-157.4	173.1	-167.7	174.9	0	112.2	F59 M61 I66 T67	F59-K63 VanDerWaalsContact O-CB 3.3Å; F59-K63 WeakPolarHBondContact O-CB 3.4Å; F59-K63 PolarHBondContact O-N 3.06Å; M61-K63 VanDerWaalsContact C-N 3.35Å; M61-K63 PolarHBondContact O-N 2.86Å; K63-I66 PolarHBondContact O-N 3.12Å; K63-T67 PolarHBondContact O-N 3.25Å; K63-T67 VanDerWaalsContact O-N 3.08Å; K63-T67 PolarHBondContact O-OG1 3.46Å; K63-T67 VanDerWaalsContact O-OG1 3.04Å
64	Q	49.2	Very low	48.1	Very low	87 Å²	87	96.4 Å²	96.4	41%	0.407	48%	0.48	S	S	.	.	H	α-helix	trans	-65	-39.6	172.1	-76.5	-179.6	3	0	0	112.8	R17 T60 M61 F62 I66 T67 I68	R17-Q64 VanDerWaalsContact NH1-CB 3.35Å; T60-Q64 WeakPolarHBondContact O-CG 3.32Å; T60-Q64 PolarHBondContact O-N 2.05Å; M61-Q64 WeakPolarHBondContact O-CB 3.3Å; M61-Q64 PolarHBondContact O-N 3.37Å; F62-Q64 VanDerWaalsContact C-N 3.35Å; F62-Q64 PolarHBondContact O-N 3.37Å; Q64-I66 VanDerWaalsContact C-N 3.35Å; Q64-I66 PolarHBondContact O-N 2.9Å; Q64-T67 PolarHBondContact O-N 2.76Å; Q64-I68 WeakPolarHBondContact O-CG1 3.48Å; Q64-I68 PolarHBondContact O-N 2.82Å
65	C	44.5	Very low	48.2	Very low	40 Å²	40	101.1 Å²	101.1	27%	0.27	49%	0.493	S	S	.	.	H	α-helix	trans	-59.3	-46.1	176.1	-64.1	0	0	0	0	111.2	R17 M61 F62 T67 I68 W69	R17-C65 VanDerWaalsContact CD-SG 3.58Å; M61-C65 PolarHBondContact O-N 3.15Å; M61-C65 PolarHBondContact O-SG 3.22Å; F62-C65 WeakPolarHBondContact O-CB 3.29Å; F62-C65 PolarHBondContact O-N 3.47Å; C65-T67 VanDerWaalsContact C-N 3.34Å; C65-T67 PolarHBondContact O-N 3.22Å; C65-I68 PolarHBondContact O-N 3.48Å; C65-W69 PolarHBondContact O-N 3.42Å
66	I	49.3	Very low	48	Very low	90 Å²	90	105.7 Å²	105.7	46%	0.462	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-38	176.1	-64.6	169.4	0	0	0	111.9	F62 K63 Q64 W69 K70	F62-I66 HydrophobicContact CD1-CD1 3.88Å; F62-I66 HydrophobicContact CE1-CD1 4Å; F62-I66 PolarHBondContact O-N 2.88Å; F62-I66 VanDerWaalsContact O-N 3.13Å; K63-I66 PolarHBondContact O-N 3.12Å; Q64-I66 VanDerWaalsContact C-N 3.35Å; Q64-I66 PolarHBondContact O-N 2.9Å; I66-W69 WeakPolarHBondContact O-CB 3.27Å; I66-W69 PolarHBondContact O-N 2.8Å; I66-K70 PolarHBondContact O-N 3.21Å
67	T	47.1	Very low	48.2	Very low	89 Å²	89	106 Å²	106	55%	0.546	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-37.4	176.5	-59	0	0	0	0	112.4	K63 Q64 C65 K70	K63-T67 PolarHBondContact O-N 3.25Å; K63-T67 VanDerWaalsContact O-N 3.08Å; K63-T67 PolarHBondContact O-OG1 3.46Å; K63-T67 VanDerWaalsContact O-OG1 3.04Å; Q64-T67 PolarHBondContact O-N 2.76Å; C65-T67 VanDerWaalsContact C-N 3.34Å; C65-T67 PolarHBondContact O-N 3.22Å; T67-K70 PolarHBondContact O-N 3.06Å
68	I	43	Very low	48.1	Very low	71 Å²	71	107.8 Å²	107.8	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-70.9	-37.8	177	-65.6	169.5	0	0	0	110.7	F13 Q64 C65 K70 Y71	F13-I68 HydrophobicContact CE1-CD1 3.71Å; F13-I68 HydrophobicContact CZ-CD1 3.84Å; Q64-I68 WeakPolarHBondContact O-CG1 3.48Å; Q64-I68 PolarHBondContact O-N 2.82Å; C65-I68 PolarHBondContact O-N 3.48Å; I68-K70 PolarHBondContact O-N 3.47Å; I68-K70 VanDerWaalsContact O-N 3.11Å; I68-Y71 PolarHBondContact O-N 3.01Å
69	W	42.2	Very low	48	Very low	165 Å²	165	108.7 Å²	108.7	63%	0.625	53%	0.533	S	S	*	.	H	α-helix	trans	-57.6	-23	174	-152.9	56.4	0	0	0	113.1	C65 I66	C65-W69 PolarHBondContact O-N 3.42Å; I66-W69 WeakPolarHBondContact O-CB 3.27Å; I66-W69 PolarHBondContact O-N 2.8Å
70	K	45.3	Very low	47.6	Very low	179 Å²	179	109.5 Å²	109.5	78%	0.778	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	1.2	176.7	-99	-171.4	173.5	-173.1	0	115.9	I66 T67 I68	I66-K70 PolarHBondContact O-N 3.21Å; T67-K70 PolarHBondContact O-N 3.06Å; I68-K70 PolarHBondContact O-N 3.47Å; I68-K70 VanDerWaalsContact O-N 3.11Å
71	Y	50.1	Low	47.3	Very low	203 Å²	203	110.3 Å²	110.3	80%	0.796	55%	0.546	S	S	*	.	S	Bend	trans	-121	3.2	-166.2	-129.3	-83.3	0	0	0	116.5	I68	I68-Y71 PolarHBondContact O-N 3.01Å
72	D	43.6	Very low	47.1	Very low	87 Å²	87	112.7 Å²	112.7	47%	0.465	56%	0.559	S	S	.	*			trans	-125.2	93.2	171.9	-164.6	-20.1	0	0	0	111.5	V74	D72-V74 PolarHBondContact O-N 2.89Å; D72-V74 WeakPolarHBondContact OD1-CB 3.09Å; D72-V74 WeakPolarHBondContact OD1-CG2 3.28Å; D72-V74 PolarHBondContact OD1-N 3.21Å; D72-V74 VanDerWaalsContact OD1-N 3.15Å
73	P	45.9	Very low	46.7	Very low	112 Å²	112	113.4 Å²	113.4	73%	0.727	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	11.4	-179.3	-13.3	30.5	0	0	0	114.8
74	V	53.5	Low	46.4	Very low	107 Å²	107	112.3 Å²	112.3	65%	0.648	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-18.6	-164.6	-170.7	0	0	0	0	113.2	D72	D72-V74 PolarHBondContact O-N 2.89Å; D72-V74 WeakPolarHBondContact OD1-CB 3.09Å; D72-V74 WeakPolarHBondContact OD1-CG2 3.28Å; D72-V74 PolarHBondContact OD1-N 3.21Å; D72-V74 VanDerWaalsContact OD1-N 3.15Å
75	H	50.2	Low	46.4	Very low	131 Å²	131	112.2 Å²	112.2	61%	0.606	57%	0.565	S	S	*	*			trans	-137.9	53.5	-170	-70.7	-11	0	0	0	114.3	D77 Y78 A79	H75-D77 PolarHBondContact O-N 2.85Å; H75-Y78 PolarHBondContact O-N 3.19Å; H75-A79 PolarHBondContact O-N 3.27Å
76	D	46.5	Very low	46.5	Very low	125 Å²	125	114.7 Å²	114.7	67%	0.668	57%	0.571	S	S	*	*	H	α-helix	trans	-53.3	-52.5	177.9	-76.5	-36.5	0	0	0	113.3	Y78 A79 D80	D76-Y78 VanDerWaalsContact C-N 3.28Å; D76-Y78 PolarHBondContact O-N 2.89Å; D76-Y78 VanDerWaalsContact O-N 3.16Å; D76-A79 WeakPolarHBondContact O-CB 3.49Å; D76-A79 PolarHBondContact O-N 3.11Å; D76-D80 PolarHBondContact O-N 3.01Å
77	D	52	Low	46.4	Very low	140 Å²	140	115.3 Å²	115.3	75%	0.749	57%	0.571	S	S	*	*	H	α-helix	trans	-54.6	-39.1	-175.9	-84.4	-37.7	0	0	0	113.7	H75 V81	H75-D77 PolarHBondContact O-N 2.85Å; D77-V81 VanDerWaalsContact O-CG2 3.29Å; D77-V81 WeakPolarHBondContact O-CG2 3.49Å; D77-V81 PolarHBondContact O-N 2.93Å
78	Y	45.7	Very low	46.6	Very low	182 Å²	182	118.6 Å²	118.6	71%	0.714	58%	0.579	S	S	*	*	H	α-helix	trans	-76	-26.6	-179.8	-97.7	-92.7	0	0	0	112.7	H75 D76 L82	H75-Y78 PolarHBondContact O-N 3.19Å; D76-Y78 VanDerWaalsContact C-N 3.28Å; D76-Y78 PolarHBondContact O-N 2.89Å; D76-Y78 VanDerWaalsContact O-N 3.16Å; Y78-L82 WeakPolarHBondContact O-CB 3.44Å; Y78-L82 WeakPolarHBondContact O-CD1 3.39Å; Y78-L82 WeakPolarHBondContact O-CG 3.34Å; Y78-L82 PolarHBondContact O-N 3.46Å
79	A	43.8	Very low	46.6	Very low	36 Å²	36	119.1 Å²	119.1	30%	0.298	59%	0.589	S	S	.	*	H	α-helix	trans	-74.1	-44.7	178.5	0	0	0	0	0	111.5	H75 D76 L82 F83	H75-A79 PolarHBondContact O-N 3.27Å; D76-A79 WeakPolarHBondContact O-CB 3.49Å; D76-A79 PolarHBondContact O-N 3.11Å; A79-L82 PolarHBondContact O-N 2.96Å; A79-F83 WeakPolarHBondContact O-CB 3.47Å; A79-F83 PolarHBondContact O-N 3.34Å
80	D	44	Very low	46.2	Very low	102 Å²	102	117.5 Å²	117.5	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-70	-38.1	-179.9	-104.8	4	0	0	0	112.5	D76 F83 Q84	D76-D80 PolarHBondContact O-N 3.01Å; D80-F83 PolarHBondContact O-N 2.86Å; D80-Q84 PolarHBondContact O-N 2.88Å
81	V	46.1	Very low	46	Very low	93 Å²	93	114.1 Å²	114.1	56%	0.564	59%	0.589	S	S	*	*	H	α-helix	trans	-61.2	-45.4	172.5	170.9	0	0	0	0	110.9	D77 F83 V85	D77-V81 VanDerWaalsContact O-CG2 3.29Å; D77-V81 WeakPolarHBondContact O-CG2 3.49Å; D77-V81 PolarHBondContact O-N 2.93Å; V81-F83 VanDerWaalsContact C-N 3.32Å; V81-F83 PolarHBondContact O-N 3.44Å; V81-V85 HydrophobicContact CG1-CG2 4.43Å; V81-V85 WeakPolarHBondContact O-CB 3.39Å; V81-V85 VanDerWaalsContact O-CG2 3.23Å; V81-V85 WeakPolarHBondContact O-CG2 3.33Å; V81-V85 PolarHBondContact O-N 3.39Å
82	L	43.3	Very low	45.5	Very low	93 Å²	93	110.3 Å²	110.3	49%	0.487	59%	0.586	S	S	.	*	H	α-helix	trans	-63.1	-37.9	174.5	-81.2	168.3	0	0	0	112.1	Y78 A79 F86	Y78-L82 WeakPolarHBondContact O-CB 3.44Å; Y78-L82 WeakPolarHBondContact O-CD1 3.39Å; Y78-L82 WeakPolarHBondContact O-CG 3.34Å; Y78-L82 PolarHBondContact O-N 3.46Å; A79-L82 PolarHBondContact O-N 2.96Å; L82-F86 HydrophobicContact CD2-CD2 4.13Å; L82-F86 HydrophobicContact CD2-CE2 3.91Å; L82-F86 WeakPolarHBondContact O-CB 3.28Å; L82-F86 WeakPolarHBondContact O-CD2 3.14Å; L82-F86 PolarHBondContact O-N 3.25Å
83	F	41.2	Very low	45.4	Very low	98 Å²	98	112.7 Å²	112.7	43%	0.43	60%	0.599	S	S	.	*	H	α-helix	trans	-66.5	-45.7	179.3	-163.4	-90.3	0	0	0	112.1	A79 D80 V81 F87	A79-F83 WeakPolarHBondContact O-CB 3.47Å; A79-F83 PolarHBondContact O-N 3.34Å; D80-F83 PolarHBondContact O-N 2.86Å; V81-F83 VanDerWaalsContact C-N 3.32Å; V81-F83 PolarHBondContact O-N 3.44Å; F83-F87 AromaticContact CD2-CD2 3.92Å; F83-F87 HydrophobicContact CD2-CD2 3.92Å; F83-F87 HydrophobicContact CD2-CE2 4.35Å; F83-F87 HydrophobicContact CE1-CB 4.22Å; F83-F87 AromaticContact CE2-CD2 3.76Å; F83-F87 HydrophobicContact CE2-CD2 3.76Å; F83-F87 HydrophobicContact CE2-CE2 4.08Å; F83-F87 HydrophobicContact CE2-CG 4.35Å; F83-F87 HydrophobicContact CG-CD2 4.39Å; F83-F87 HydrophobicContact CZ-CB 4.38Å; F83-F87 HydrophobicContact CZ-CD2 4.1Å; F83-F87 HydrophobicContact CZ-CG 4.23Å; F83-F87 WeakPolarHBondContact O-CB 3.46Å; F83-F87 PolarHBondContact O-N 3.02Å
84	Q	47	Very low	45.1	Very low	129 Å²	129	116 Å²	116	60%	0.603	60%	0.604	S	S	*	*	H	α-helix	trans	-63.4	-45.6	175.3	-70.7	-161.2	13.2	0	0	112.1	D80 F86 H88 S89	D80-Q84 PolarHBondContact O-N 2.88Å; Q84-F86 PolarHBondContact O-N 3.31Å; Q84-H88 WeakPolarHBondContact O-CB 3.42Å; Q84-H88 PolarHBondContact O-N 3.47Å; Q84-S89 PolarHBondContact O-OG 3.49Å
85	V	50	Low	44.6	Very low	84 Å²	84	115.5 Å²	115.5	51%	0.509	60%	0.602	S	S	.	*	H	α-helix	trans	-60.1	-43.1	179.9	168.6	0	0	0	0	111.9	V81	V81-V85 HydrophobicContact CG1-CG2 4.43Å; V81-V85 WeakPolarHBondContact O-CB 3.39Å; V81-V85 VanDerWaalsContact O-CG2 3.23Å; V81-V85 WeakPolarHBondContact O-CG2 3.33Å; V81-V85 PolarHBondContact O-N 3.39Å
86	F	45.9	Very low	44.5	Very low	93 Å²	93	116.4 Å²	116.4	41%	0.408	61%	0.606	S	S	.	*	H	α-helix	trans	-85.8	-31.8	-176.7	-87	-82	0	0	0	115.5	L18 L82 Q84	L18-F86 HydrophobicContact CD2-CE1 3.95Å; L18-F86 HydrophobicContact CD2-CZ 4.08Å; L82-F86 HydrophobicContact CD2-CD2 4.13Å; L82-F86 HydrophobicContact CD2-CE2 3.91Å; L82-F86 WeakPolarHBondContact O-CB 3.28Å; L82-F86 WeakPolarHBondContact O-CD2 3.14Å; L82-F86 PolarHBondContact O-N 3.25Å; Q84-F86 PolarHBondContact O-N 3.31Å
87	F	48.1	Very low	45	Very low	103 Å²	103	115.6 Å²	115.6	45%	0.452	61%	0.606	S	S	.	*	H	α-helix	trans	-105.7	-17	-173.7	-77.9	-82.4	0	0	0	115.2	F83	F83-F87 AromaticContact CD2-CD2 3.92Å; F83-F87 HydrophobicContact CD2-CD2 3.92Å; F83-F87 HydrophobicContact CD2-CE2 4.35Å; F83-F87 HydrophobicContact CE1-CB 4.22Å; F83-F87 AromaticContact CE2-CD2 3.76Å; F83-F87 HydrophobicContact CE2-CD2 3.76Å; F83-F87 HydrophobicContact CE2-CE2 4.08Å; F83-F87 HydrophobicContact CE2-CG 4.35Å; F83-F87 HydrophobicContact CG-CD2 4.39Å; F83-F87 HydrophobicContact CZ-CB 4.38Å; F83-F87 HydrophobicContact CZ-CD2 4.1Å; F83-F87 HydrophobicContact CZ-CG 4.23Å; F83-F87 WeakPolarHBondContact O-CB 3.46Å; F83-F87 PolarHBondContact O-N 3.02Å
88	H	52.1	Low	45.4	Very low	158 Å²	158	114 Å²	114	73%	0.731	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	-12.1	-168.4	-136.3	-51.1	0	0	0	115.9	Q84	Q84-H88 WeakPolarHBondContact O-CB 3.42Å; Q84-H88 PolarHBondContact O-N 3.47Å
89	S	43.1	Very low	46.2	Very low	82 Å²	82	112 Å²	112	57%	0.573	59%	0.594	S	S	*	*	S	Bend	trans	-125.6	9.4	-162	-59.1	0	0	0	0	116.3	Q84	Q84-S89 PolarHBondContact O-OG 3.49Å
90	L	33.5	Very low	47.1	Very low	131 Å²	131	115 Å²	115	69%	0.686	61%	0.605	S	S	*	*			trans	-113.9	109.7	174.1	-71	174.9	0	0	0	110.7
91	P	40	Very low	48.3	Very low	108 Å²	108	114.6 Å²	114.6	70%	0.701	61%	0.606	S	S	*	*			trans	-62.7	138.6	162.4	28.8	-32.5	0	0	0	108.8
92	V	39.7	Very low	49.5	Very low	123 Å²	123	117.3 Å²	117.3	75%	0.745	61%	0.611	S	S	*	*			trans	-89.9	-8.6	-166.1	175.4	0	0	0	0	112.9
93	D	41.2	Very low	50.6	Low	137 Å²	137	115.2 Å²	115.2	73%	0.733	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	141.3	176.3	-58.5	-57.1	0	0	0	111.8
94	Q	39.3	Very low	52	Low	180 Å²	180	114 Å²	114	84%	0.841	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.4	15.8	171.7	-49	-62.6	-65.2	0	0	119.1	E96	Q94-E96 PolarHBondContact O-N 3.44Å; Q94-E96 VanDerWaalsContact O-N 3.11Å
95	V	43.9	Very low	53.3	Low	98 Å²	98	110.6 Å²	110.6	59%	0.594	60%	0.601	S	S	*	*			trans	-76.2	99.4	166.2	-176	0	0	0	0	109.9
96	E	48.4	Very low	54.5	Low	150 Å²	150	110.9 Å²	110.9	70%	0.701	60%	0.599	S	S	*	*			trans	-63.8	151.6	171.1	-67.3	-172.7	128.5	0	0	111.2	Q94 D98 E99	Q94-E96 PolarHBondContact O-N 3.44Å; Q94-E96 VanDerWaalsContact O-N 3.11Å; E96-D98 PolarHBondContact O-N 3.45Å; E96-E99 PolarHBondContact O-N 2.99Å
97	T	56.2	Low	55.9	Low	107 Å²	107	108.9 Å²	108.9	66%	0.656	60%	0.596	S	S	*	*	H	α-helix	trans	-57.1	-23.1	-176.6	40	0	0	0	0	114.2	T101	T97-T101 PolarHBondContact O-N 2.96Å; T97-T101 PolarHBondContact O-OG1 2.91Å
98	D	60.4	Low	57.2	Low	107 Å²	107	106.3 Å²	106.3	57%	0.572	59%	0.594	S	S	*	*	H	α-helix	trans	-82.5	-34.8	-165.6	-65	21.6	0	0	0	110.6	E96 T101 F102	E96-D98 PolarHBondContact O-N 3.45Å; D98-T101 PolarHBondContact O-N 3.36Å; D98-F102 WeakPolarHBondContact O-CB 3.49Å; D98-F102 PolarHBondContact O-N 3.43Å
99	E	63.4	Low	58.6	Low	140 Å²	140	101.6 Å²	101.6	65%	0.654	58%	0.579	S	S	*	*	H	α-helix	trans	-63.2	-44.4	172.7	-72.4	-151.2	143.2	0	0	112	E96 T101 F102 A103	E96-E99 PolarHBondContact O-N 2.99Å; E99-T101 VanDerWaalsContact C-N 3.27Å; E99-T101 PolarHBondContact O-N 3.08Å; E99-F102 PolarHBondContact O-N 3.49Å; E99-A103 WeakPolarHBondContact O-CB 3.31Å; E99-A103 PolarHBondContact O-N 3.24Å
100	L	62.7	Low	60.2	Low	99 Å²	99	105 Å²	105	52%	0.518	58%	0.583	S	S	.	*	H	α-helix	trans	-62.7	-38.8	177.9	-170.1	71.4	0	0	0	110.8	A103 V104	L100-A103 PolarHBondContact O-N 2.96Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 2.86Å
101	T	68.1	Low	62.3	Low	94 Å²	94	103.4 Å²	103.4	58%	0.577	57%	0.571	S	S	*	*	H	α-helix	trans	-66.3	-41.5	176.3	-55.4	0	0	0	0	111.3	T97 D98 E99 V104 A105	T97-T101 PolarHBondContact O-N 2.96Å; T97-T101 PolarHBondContact O-OG1 2.91Å; D98-T101 PolarHBondContact O-N 3.36Å; E99-T101 VanDerWaalsContact C-N 3.27Å; E99-T101 PolarHBondContact O-N 3.08Å; T101-V104 PolarHBondContact O-N 2.88Å; T101-A105 PolarHBondContact O-N 3.1Å
102	F	71.3	Confident	64.3	Low	149 Å²	149	103 Å²	103	65%	0.654	56%	0.562	S	S	*	*	H	α-helix	trans	-62.8	-44.9	174.9	-125.8	-86.6	0	0	0	112.3	D98 E99 V104 A105 I106	D98-F102 WeakPolarHBondContact O-CB 3.49Å; D98-F102 PolarHBondContact O-N 3.43Å; E99-F102 PolarHBondContact O-N 3.49Å; F102-V104 PolarHBondContact O-N 3.5Å; F102-A105 PolarHBondContact O-N 3.07Å; F102-I106 HydrophobicContact CD1-CD1 4.04Å; F102-I106 WeakPolarHBondContact O-CG1 3.5Å; F102-I106 PolarHBondContact O-N 3.19Å
103	A	66.7	Low	66.5	Low	49 Å²	49	101.8 Å²	101.8	41%	0.405	56%	0.555	S	S	.	*	H	α-helix	trans	-61	-44.9	177.3	0	0	0	0	0	111.8	E99 L100 A105 I106 C107	E99-A103 WeakPolarHBondContact O-CB 3.31Å; E99-A103 PolarHBondContact O-N 3.24Å; L100-A103 PolarHBondContact O-N 2.96Å; A103-A105 PolarHBondContact O-N 2.8Å; A103-I106 PolarHBondContact O-N 3.3Å; A103-C107 PolarHBondContact O-N 3.32Å; A103-C107 PolarHBondContact O-SG 3.39Å
104	V	70.8	Confident	68.2	Low	74 Å²	74	97.8 Å²	97.8	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-61.3	-42.1	175.5	169.3	0	0	0	0	111.5	L100 T101 F102 C107 A108	L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 2.86Å; T101-V104 PolarHBondContact O-N 2.88Å; F102-V104 PolarHBondContact O-N 3.5Å; V104-C107 PolarHBondContact O-N 3.24Å; V104-A108 WeakPolarHBondContact O-CB 3.36Å; V104-A108 PolarHBondContact O-N 2.85Å
105	A	74.6	Confident	70.1	Confident	57 Å²	57	92 Å²	92	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-43.1	177.3	0	0	0	0	0	112.7	T101 F102 A103 A108 S109	T101-A105 PolarHBondContact O-N 3.1Å; F102-A105 PolarHBondContact O-N 3.07Å; A103-A105 PolarHBondContact O-N 2.8Å; A105-A108 PolarHBondContact O-N 3.48Å; A105-S109 PolarHBondContact O-N 3.09Å; A105-S109 PolarHBondContact O-OG 3.36Å
106	I	75.6	Confident	72.1	Confident	89 Å²	89	92.7 Å²	92.7	46%	0.456	52%	0.518	S	S	.	.	H	α-helix	trans	-61.3	-49.7	175.5	-69.3	168.6	0	0	0	110.3	F102 A103 A108 S109 F110	F102-I106 HydrophobicContact CD1-CD1 4.04Å; F102-I106 WeakPolarHBondContact O-CG1 3.5Å; F102-I106 PolarHBondContact O-N 3.19Å; A103-I106 PolarHBondContact O-N 3.3Å; I106-A108 VanDerWaalsContact C-N 3.33Å; I106-A108 PolarHBondContact O-N 3.29Å; I106-S109 PolarHBondContact O-N 3.39Å; I106-S109 PolarHBondContact O-OG 3.5Å; I106-F110 PolarHBondContact O-N 2.99Å; I106-F110 VanDerWaalsContact O-N 3.09Å
107	C	73.9	Confident	73.8	Confident	51 Å²	51	87.8 Å²	87.8	35%	0.345	50%	0.503	S	S	.	.	H	α-helix	trans	-61	-39.4	177.7	-70.1	0	0	0	0	112.8	Y15 A103 V104 F111	Y15-C107 HydrophobicContact CE2-CB 4.25Å; Y15-C107 VanDerWaalsContact OH-CB 3.28Å; Y15-C107 WeakPolarHBondContact OH-CB 3.45Å; A103-C107 PolarHBondContact O-N 3.32Å; A103-C107 PolarHBondContact O-SG 3.39Å; V104-C107 PolarHBondContact O-N 3.24Å; C107-F111 WeakPolarHBondContact O-CB 3.49Å; C107-F111 PolarHBondContact O-N 3.1Å; C107-F111 VanDerWaalsContact O-N 3.08Å
108	A	76	Confident	74.8	Confident	49 Å²	49	85.2 Å²	85.2	41%	0.405	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-45.1	176.2	0	0	0	0	0	112.3	V104 A105 I106 F110 F111 I112	V104-A108 WeakPolarHBondContact O-CB 3.36Å; V104-A108 PolarHBondContact O-N 2.85Å; A105-A108 PolarHBondContact O-N 3.48Å; I106-A108 VanDerWaalsContact C-N 3.33Å; I106-A108 PolarHBondContact O-N 3.29Å; A108-F110 PolarHBondContact O-N 3.04Å; A108-F111 PolarHBondContact O-N 3.05Å; A108-F111 VanDerWaalsContact O-N 3.17Å; A108-I112 WeakPolarHBondContact O-CG1 3.38Å; A108-I112 PolarHBondContact O-N 3.37Å
109	S	81.2	Confident	75.9	Confident	60 Å²	60	84 Å²	84	42%	0.42	48%	0.481	S	S	.	.	H	α-helix	trans	-62.4	-43.5	178.1	69.4	0	0	0	0	112.5	A105 I106 F111 I112 V113	A105-S109 PolarHBondContact O-N 3.09Å; A105-S109 PolarHBondContact O-OG 3.36Å; I106-S109 PolarHBondContact O-N 3.39Å; I106-S109 PolarHBondContact O-OG 3.5Å; S109-F111 VanDerWaalsContact C-N 3.28Å; S109-F111 PolarHBondContact O-N 3.3Å; S109-I112 PolarHBondContact O-N 3.17Å; S109-V113 WeakPolarHBondContact O-CG2 3.46Å; S109-V113 PolarHBondContact O-N 3.08Å
110	F	78.3	Confident	76.8	Confident	152 Å²	152	83 Å²	83	67%	0.667	47%	0.472	S	S	*	.	H	α-helix	trans	-59.3	-39	173.5	-110.6	-86.5	0	0	0	112.1	I106 A108 V113 A114	I106-F110 PolarHBondContact O-N 2.99Å; I106-F110 VanDerWaalsContact O-N 3.09Å; A108-F110 PolarHBondContact O-N 3.04Å; F110-V113 PolarHBondContact O-N 3.45Å; F110-A114 VanDerWaalsContact O-CB 3.31Å; F110-A114 WeakPolarHBondContact O-CB 3.45Å; F110-A114 PolarHBondContact O-N 2.92Å
111	F	75.7	Confident	77.7	Confident	98 Å²	98	83.5 Å²	83.5	43%	0.43	47%	0.474	S	S	.	.	H	α-helix	trans	-69.4	-37.3	179.6	-161.7	-107.1	0	0	0	113.1	L12 C107 A108 S109 A114 T115	L12-F111 HydrophobicContact CD1-CD2 4.09Å; L12-F111 HydrophobicContact CD1-CE2 3.47Å; L12-F111 VanDerWaalsContact CD1-CE2 3.47Å; L12-F111 HydrophobicContact CD1-CZ 3.93Å; L12-F111 HydrophobicContact CD2-CE2 3.64Å; L12-F111 HydrophobicContact CD2-CZ 3.65Å; L12-F111 HydrophobicContact CG-CE2 4.09Å; L12-F111 HydrophobicContact CG-CZ 4.43Å; C107-F111 WeakPolarHBondContact O-CB 3.49Å; C107-F111 PolarHBondContact O-N 3.1Å; C107-F111 VanDerWaalsContact O-N 3.08Å; A108-F111 PolarHBondContact O-N 3.05Å; A108-F111 VanDerWaalsContact O-N 3.17Å; S109-F111 VanDerWaalsContact C-N 3.28Å; S109-F111 PolarHBondContact O-N 3.3Å; F111-A114 PolarHBondContact O-N 2.81Å; F111-T115 HydrophobicContact CD1-CG2 4.25Å; F111-T115 HydrophobicContact CE1-CG2 3.83Å; F111-T115 HydrophobicContact CE2-CG2 4.49Å; F111-T115 HydrophobicContact CZ-CG2 3.97Å; F111-T115 WeakPolarHBondContact O-CB 3.49Å; F111-T115 WeakPolarHBondContact O-CG2 3.43Å; F111-T115 PolarHBondContact O-N 3.04Å; F111-T115 PolarHBondContact O-OG1 2.93Å
112	I	83.5	Confident	78.1	Confident	101 Å²	101	82.6 Å²	82.6	52%	0.518	47%	0.466	S	S	.	.	H	α-helix	trans	-63.5	-47.7	173	-67	165.7	0	0	0	110.3	A108 S109 A114 T115 L116	A108-I112 WeakPolarHBondContact O-CG1 3.38Å; A108-I112 PolarHBondContact O-N 3.37Å; S109-I112 PolarHBondContact O-N 3.17Å; I112-A114 PolarHBondContact O-N 3.47Å; I112-T115 PolarHBondContact O-N 3.36Å; I112-T115 PolarHBondContact O-OG1 2.85Å; I112-T115 VanDerWaalsContact O-OG1 3.04Å; I112-L116 HydrophobicContact CG2-CD1 3.95Å; I112-L116 WeakPolarHBondContact O-CB 3.36Å; I112-L116 VanDerWaalsContact O-CG 3.32Å; I112-L116 WeakPolarHBondContact O-CG 3.37Å; I112-L116 PolarHBondContact O-N 2.96Å
113	V	84.7	Confident	78.3	Confident	96 Å²	96	78.9 Å²	78.9	58%	0.582	46%	0.458	S	S	*	.	H	α-helix	trans	-61.7	-42.8	177.4	174.4	0	0	0	0	111.4	S109 F110 L116 A117	S109-V113 WeakPolarHBondContact O-CG2 3.46Å; S109-V113 PolarHBondContact O-N 3.08Å; F110-V113 PolarHBondContact O-N 3.45Å; V113-L116 PolarHBondContact O-N 3.46Å; V113-A117 WeakPolarHBondContact O-CB 3.32Å; V113-A117 PolarHBondContact O-N 2.98Å
114	A	76.8	Confident	78.7	Confident	54 Å²	54	82.3 Å²	82.3	45%	0.446	46%	0.46	S	S	.	.	H	α-helix	trans	-65.8	-38.5	179	0	0	0	0	0	113.1	F110 F111 I112 A117 M118	F110-A114 VanDerWaalsContact O-CB 3.31Å; F110-A114 WeakPolarHBondContact O-CB 3.45Å; F110-A114 PolarHBondContact O-N 2.92Å; F111-A114 PolarHBondContact O-N 2.81Å; I112-A114 PolarHBondContact O-N 3.47Å; A114-A117 PolarHBondContact O-N 3.49Å; A114-M118 WeakPolarHBondContact O-CB 3.48Å; A114-M118 PolarHBondContact O-N 3.01Å
115	T	79.6	Confident	78.6	Confident	59 Å²	59	81 Å²	81	36%	0.362	46%	0.457	S	S	.	.	H	α-helix	trans	-73.4	-36	177.9	47.2	0	0	0	0	112.6	F111 I112 M118 T119	F111-T115 HydrophobicContact CD1-CG2 4.25Å; F111-T115 HydrophobicContact CE1-CG2 3.83Å; F111-T115 HydrophobicContact CE2-CG2 4.49Å; F111-T115 HydrophobicContact CZ-CG2 3.97Å; F111-T115 WeakPolarHBondContact O-CB 3.49Å; F111-T115 WeakPolarHBondContact O-CG2 3.43Å; F111-T115 PolarHBondContact O-N 3.04Å; F111-T115 PolarHBondContact O-OG1 2.93Å; I112-T115 PolarHBondContact O-N 3.36Å; I112-T115 PolarHBondContact O-OG1 2.85Å; I112-T115 VanDerWaalsContact O-OG1 3.04Å; T115-M118 PolarHBondContact O-N 3.49Å; T115-T119 WeakPolarHBondContact O-CG2 3.44Å; T115-T119 PolarHBondContact O-N 2.9Å; T115-T119 PolarHBondContact O-OG1 3.43Å
116	L	86.5	Confident	78.2	Confident	111 Å²	111	82 Å²	82	58%	0.581	46%	0.46	S	S	*	.	H	α-helix	trans	-63.9	-43.6	169.6	-69.6	171.9	0	0	0	111.8	I112 V113 T119 Y120	I112-L116 HydrophobicContact CG2-CD1 3.95Å; I112-L116 WeakPolarHBondContact O-CB 3.36Å; I112-L116 VanDerWaalsContact O-CG 3.32Å; I112-L116 WeakPolarHBondContact O-CG 3.37Å; I112-L116 PolarHBondContact O-N 2.96Å; V113-L116 PolarHBondContact O-N 3.46Å; L116-T119 WeakPolarHBondContact CA-OG1 3.32Å; L116-T119 PolarHBondContact O-N 3.11Å; L116-T119 PolarHBondContact O-OG1 3.41Å; L116-T119 VanDerWaalsContact O-OG1 3.06Å; L116-Y120 WeakPolarHBondContact O-CB 3.36Å; L116-Y120 PolarHBondContact O-N 2.99Å
117	A	83	Confident	77.5	Confident	48 Å²	48	80.9 Å²	80.9	40%	0.397	46%	0.46	S	S	.	.	H	α-helix	trans	-63.3	-42.5	174.8	0	0	0	0	0	112.4	V113 A114 Y120 L121	V113-A117 WeakPolarHBondContact O-CB 3.32Å; V113-A117 PolarHBondContact O-N 2.98Å; A114-A117 PolarHBondContact O-N 3.49Å; A117-Y120 PolarHBondContact O-N 3.06Å; A117-L121 WeakPolarHBondContact O-CB 3.48Å; A117-L121 VanDerWaalsContact O-CG 3.28Å; A117-L121 WeakPolarHBondContact O-CG 3.28Å; A117-L121 PolarHBondContact O-N 3.49Å
118	M	78.6	Confident	76.3	Confident	53 Å²	53	87.4 Å²	87.4	26%	0.261	48%	0.478	S	S	.	.	H	α-helix	trans	-64.2	-45.6	177.3	179.8	66	88.7	0	0	111.9	L8 A114 T115 L121 L122	L8-M118 HydrophobicContact CB-CE 4.45Å; L8-M118 HydrophobicContact CD1-CE 3.56Å; A114-M118 WeakPolarHBondContact O-CB 3.48Å; A114-M118 PolarHBondContact O-N 3.01Å; T115-M118 PolarHBondContact O-N 3.49Å; M118-L121 PolarHBondContact O-N 2.9Å; M118-L122 HydrophobicContact CG-CD1 3.89Å; M118-L122 HydrophobicContact CG-CG 4.36Å; M118-L122 WeakPolarHBondContact O-CB 3.45Å; M118-L122 VanDerWaalsContact O-CG 3.32Å; M118-L122 WeakPolarHBondContact O-CG 3.38Å; M118-L122 PolarHBondContact O-N 3.07Å; M118-L122 HydrophobicContact SD-CD1 4.11Å; M118-L122 HydrophobicContact SD-CG 4.13Å
119	T	82.1	Confident	75.4	Confident	81 Å²	81	88.3 Å²	88.3	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-66.5	-36.7	178.4	47.9	0	0	0	0	112.1	T115 L116 S123	T115-T119 WeakPolarHBondContact O-CG2 3.44Å; T115-T119 PolarHBondContact O-N 2.9Å; T115-T119 PolarHBondContact O-OG1 3.43Å; L116-T119 WeakPolarHBondContact CA-OG1 3.32Å; L116-T119 PolarHBondContact O-N 3.11Å; L116-T119 PolarHBondContact O-OG1 3.41Å; L116-T119 VanDerWaalsContact O-OG1 3.06Å; T119-S123 WeakPolarHBondContact O-CB 3.4Å; T119-S123 PolarHBondContact O-N 2.93Å; T119-S123 PolarHBondContact O-OG 3.47Å; T119-S123 VanDerWaalsContact O-OG 3.07Å
120	Y	82.7	Confident	73.9	Confident	118 Å²	118	92.5 Å²	92.5	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-47.7	169.3	-179.8	-96.4	0	0	0	112.4	L116 A117 L122 S123 R124	L116-Y120 WeakPolarHBondContact O-CB 3.36Å; L116-Y120 PolarHBondContact O-N 2.99Å; A117-Y120 PolarHBondContact O-N 3.06Å; Y120-L122 PolarHBondContact O-N 2.93Å; Y120-S123 PolarHBondContact O-N 3.5Å; Y120-S123 PolarHBondContact O-OG 2.86Å; Y120-R124 PolarHBondContact O-N 3.26Å; Y120-R124 VanDerWaalsContact OH-CZ 3.22Å; Y120-R124 PolarHBondContact OH-NE 3.49Å; Y120-R124 PolarHBondContact OH-NH1 2.9Å
121	L	81.3	Confident	72.4	Confident	110 Å²	110	88 Å²	88	58%	0.576	48%	0.479	S	S	*	.	H	α-helix	trans	-64.9	-40.1	178.6	-72.4	171.2	0	0	0	112.6	A117 M118 R124 A125	A117-L121 WeakPolarHBondContact O-CB 3.48Å; A117-L121 VanDerWaalsContact O-CG 3.28Å; A117-L121 WeakPolarHBondContact O-CG 3.28Å; A117-L121 PolarHBondContact O-N 3.49Å; M118-L121 PolarHBondContact O-N 2.9Å; L121-R124 PolarHBondContact O-N 3.01Å; L121-A125 WeakPolarHBondContact O-CB 3.42Å; L121-A125 PolarHBondContact O-N 3.44Å
122	L	78.1	Confident	71	Confident	76 Å²	76	87 Å²	87	40%	0.398	48%	0.481	S	S	.	.	H	α-helix	trans	-67.5	-42.7	176.6	-72.1	172.7	0	0	0	112	M1 M118 Y120 R124 A125 C126	M1-L122 HydrophobicContact CE-CD2 4.3Å; M118-L122 HydrophobicContact CG-CD1 3.89Å; M118-L122 HydrophobicContact CG-CG 4.36Å; M118-L122 WeakPolarHBondContact O-CB 3.45Å; M118-L122 VanDerWaalsContact O-CG 3.32Å; M118-L122 WeakPolarHBondContact O-CG 3.38Å; M118-L122 PolarHBondContact O-N 3.07Å; M118-L122 HydrophobicContact SD-CD1 4.11Å; M118-L122 HydrophobicContact SD-CG 4.13Å; Y120-L122 PolarHBondContact O-N 2.93Å; L122-R124 PolarHBondContact O-N 2.87Å; L122-A125 PolarHBondContact O-N 3.19Å; L122-C126 PolarHBondContact O-N 3.49Å
123	S	75.7	Confident	68.8	Low	70 Å²	70	87.8 Å²	87.8	49%	0.49	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-40.1	175.5	62.9	0	0	0	0	112	T119 Y120 C126 S127	T119-S123 WeakPolarHBondContact O-CB 3.4Å; T119-S123 PolarHBondContact O-N 2.93Å; T119-S123 PolarHBondContact O-OG 3.47Å; T119-S123 VanDerWaalsContact O-OG 3.07Å; Y120-S123 PolarHBondContact O-N 3.5Å; Y120-S123 PolarHBondContact O-OG 2.86Å; S123-C126 PolarHBondContact O-N 3.27Å; S123-S127 WeakPolarHBondContact O-CB 3.33Å; S123-S127 PolarHBondContact O-N 3.14Å
124	R	74.6	Confident	66.5	Low	121 Å²	121	83.9 Å²	83.9	46%	0.457	46%	0.463	S	S	.	.	H	α-helix	trans	-63.4	-40.1	170.5	-98.5	-171.5	160.4	-179.5	-5.4	112.8	Y120 L121 L122 S127 W128	Y120-R124 PolarHBondContact O-N 3.26Å; Y120-R124 VanDerWaalsContact OH-CZ 3.22Å; Y120-R124 PolarHBondContact OH-NE 3.49Å; Y120-R124 PolarHBondContact OH-NH1 2.9Å; L121-R124 PolarHBondContact O-N 3.01Å; L122-R124 PolarHBondContact O-N 2.87Å; R124-S127 WeakPolarHBondContact O-CB 3.42Å; R124-S127 PolarHBondContact O-N 3.15Å; R124-W128 PolarHBondContact O-N 3.39Å
125	A	68.1	Low	64.7	Low	46 Å²	46	86.4 Å²	86.4	38%	0.38	47%	0.468	S	S	.	.	H	α-helix	trans	-65.9	-42.3	176.8	0	0	0	0	0	112.8	L121 L122 W128 S129	L121-A125 WeakPolarHBondContact O-CB 3.42Å; L121-A125 PolarHBondContact O-N 3.44Å; L122-A125 PolarHBondContact O-N 3.19Å; A125-W128 PolarHBondContact O-N 2.89Å; A125-S129 PolarHBondContact O-N 3.24Å
126	C	66.6	Low	62.6	Low	78 Å²	78	87.2 Å²	87.2	53%	0.527	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-36.5	173.4	-72.6	0	0	0	0	112.3	L122 S123 S129 K130	L122-C126 PolarHBondContact O-N 3.49Å; S123-C126 PolarHBondContact O-N 3.27Å; C126-S129 PolarHBondContact O-N 3.28Å; C126-K130 WeakPolarHBondContact O-CG 3.5Å; C126-K130 PolarHBondContact O-N 3.44Å
127	S	60.3	Low	60.4	Low	67 Å²	67	85.5 Å²	85.5	47%	0.469	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-48.5	172.2	-171.9	0	0	0	0	111.3	S123 R124 S129 K130 S131	S123-S127 WeakPolarHBondContact O-CB 3.33Å; S123-S127 PolarHBondContact O-N 3.14Å; R124-S127 WeakPolarHBondContact O-CB 3.42Å; R124-S127 PolarHBondContact O-N 3.15Å; S127-S129 VanDerWaalsContact C-N 3.35Å; S127-S129 PolarHBondContact O-N 2.89Å; S127-K130 PolarHBondContact O-N 3.13Å; S127-K130 VanDerWaalsContact O-N 3.13Å; S127-S131 PolarHBondContact O-N 3.2Å; S127-S131 PolarHBondContact O-OG 3.38Å
128	W	49.4	Very low	58.6	Low	187 Å²	187	88.2 Å²	88.2	71%	0.708	47%	0.469	S	S	*	.	H	α-helix	trans	-55	-46	173.4	-106.5	43.7	0	0	0	112.7	R124 A125 K130 S131 V132	R124-W128 PolarHBondContact O-N 3.39Å; A125-W128 PolarHBondContact O-N 2.89Å; W128-K130 PolarHBondContact O-N 3.43Å; W128-S131 PolarHBondContact O-N 3.35Å; W128-V132 WeakPolarHBondContact O-CG2 3.4Å; W128-V132 PolarHBondContact O-N 2.9Å
129	S	57	Low	56.9	Low	68 Å²	68	89.4 Å²	89.4	48%	0.476	48%	0.477	S	S	.	.	H	α-helix	trans	-59	-43.9	176.2	-176.1	0	0	0	0	112.3	A125 C126 S127 S131 V132 L133	A125-S129 PolarHBondContact O-N 3.24Å; C126-S129 PolarHBondContact O-N 3.28Å; S127-S129 VanDerWaalsContact C-N 3.35Å; S127-S129 PolarHBondContact O-N 2.89Å; S129-S131 VanDerWaalsContact C-N 3.34Å; S129-S131 PolarHBondContact O-N 3.49Å; S129-V132 PolarHBondContact O-N 2.97Å; S129-L133 PolarHBondContact O-N 3.06Å
130	K	48.6	Very low	55.1	Low	148 Å²	148	88.6 Å²	88.6	64%	0.643	47%	0.474	S	S	*	.	H	α-helix	trans	-67.3	-30.8	176.1	-71.9	179.8	177.9	-173.7	0	113.4	C126 S127 W128 S134 R335	C126-K130 WeakPolarHBondContact O-CG 3.5Å; C126-K130 PolarHBondContact O-N 3.44Å; S127-K130 PolarHBondContact O-N 3.13Å; S127-K130 VanDerWaalsContact O-N 3.13Å; W128-K130 PolarHBondContact O-N 3.43Å; K130-S134 PolarHBondContact O-N 3.19Å; K130-R335 PolarHBondContact O-NH2 3.38Å
131	S	47	Very low	53.6	Low	58 Å²	58	86.7 Å²	86.7	41%	0.406	47%	0.472	S	S	.	.	H	α-helix	trans	-71.7	-43.6	172.1	-64	0	0	0	0	111.8	S127 W128 S129 S134 L135	S127-S131 PolarHBondContact O-N 3.2Å; S127-S131 PolarHBondContact O-OG 3.38Å; W128-S131 PolarHBondContact O-N 3.35Å; S129-S131 VanDerWaalsContact C-N 3.34Å; S129-S131 PolarHBondContact O-N 3.49Å; S131-S134 WeakPolarHBondContact O-CB 3.11Å; S131-S134 PolarHBondContact O-N 3.17Å; S131-S134 VanDerWaalsContact O-N 3.15Å; S131-L135 WeakPolarHBondContact O-CG 3.46Å; S131-L135 PolarHBondContact O-N 2.96Å
132	V	46	Very low	52	Low	78 Å²	78	83 Å²	83	47%	0.473	45%	0.453	S	S	.	.	H	α-helix	trans	-61.2	-46.6	175.8	171.8	0	0	0	0	111.1	W128 S129 S134 L135 C136	W128-V132 WeakPolarHBondContact O-CG2 3.4Å; W128-V132 PolarHBondContact O-N 2.9Å; S129-V132 PolarHBondContact O-N 2.97Å; V132-S134 PolarHBondContact O-N 3.39Å; V132-L135 WeakPolarHBondContact O-CB 3.28Å; V132-L135 PolarHBondContact O-N 3.11Å; V132-C136 PolarHBondContact O-N 3.34Å; V132-C136 VanDerWaalsContact O-N 3.08Å; V132-C136 PolarHBondContact O-SG 3.17Å; V132-C136 VanDerWaalsContact O-SG 3.39Å
133	L	37.9	Very low	50.6	Low	117 Å²	117	84 Å²	84	61%	0.613	45%	0.454	S	S	*	.	H	α-helix	trans	-55.8	-38.8	174.4	-112.2	76.9	0	0	0	112.4	S129 L135 C136 T137	S129-L133 PolarHBondContact O-N 3.06Å; L133-L135 VanDerWaalsContact C-N 3.35Å; L133-C136 WeakPolarHBondContact O-CB 3.45Å; L133-C136 PolarHBondContact O-N 3.46Å; L133-T137 PolarHBondContact O-N 2.88Å
134	S	37.3	Very low	49.3	Very low	14 Å²	14	85.8 Å²	85.8	10%	0.098	46%	0.458	C	S	.	.	H	α-helix	trans	-75.2	-21.4	179.5	-163	0	0	0	0	114.4	K130 S131 V132 T137 R138 R335	K130-S134 PolarHBondContact O-N 3.19Å; S131-S134 WeakPolarHBondContact O-CB 3.11Å; S131-S134 PolarHBondContact O-N 3.17Å; S131-S134 VanDerWaalsContact O-N 3.15Å; V132-S134 PolarHBondContact O-N 3.39Å; S134-T137 PolarHBondContact O-OG1 3.32Å; S134-R138 WeakPolarHBondContact O-CB 3.49Å; S134-R138 WeakPolarHBondContact O-CD 3.45Å; S134-R138 VanDerWaalsContact O-CG 3.24Å; S134-R138 WeakPolarHBondContact O-CG 3.49Å; S134-R138 PolarHBondContact O-N 3.46Å; S134-R335 VanDerWaalsContact CB-NH2 3.26Å; S134-R335 VanDerWaalsContact OG-CZ 3.26Å; S134-R335 PolarHBondContact OG-NH1 2.57Å
135	L	37.6	Very low	47.9	Very low	107 Å²	107	83.8 Å²	83.8	56%	0.56	46%	0.456	S	S	*	.	H	α-helix	trans	-75	-37	169.3	-69.5	165.6	0	0	0	109.8	S131 V132 L133 R138 D139	S131-L135 WeakPolarHBondContact O-CG 3.46Å; S131-L135 PolarHBondContact O-N 2.96Å; V132-L135 WeakPolarHBondContact O-CB 3.28Å; V132-L135 PolarHBondContact O-N 3.11Å; L133-L135 VanDerWaalsContact C-N 3.35Å; L135-R138 PolarHBondContact O-N 2.54Å; L135-D139 VanDerWaalsContact O-CB 3.28Å; L135-D139 WeakPolarHBondContact O-CB 3.14Å; L135-D139 PolarHBondContact O-N 3.15Å
136	C	36.9	Very low	47.1	Very low	75 Å²	75	82.5 Å²	82.5	51%	0.507	44%	0.442	S	S	.	.	H	α-helix	trans	-67.5	-36	174.5	-61	0	0	0	0	113.5	V132 L133 S140	V132-C136 PolarHBondContact O-N 3.34Å; V132-C136 VanDerWaalsContact O-N 3.08Å; V132-C136 PolarHBondContact O-SG 3.17Å; V132-C136 VanDerWaalsContact O-SG 3.39Å; L133-C136 WeakPolarHBondContact O-CB 3.45Å; L133-C136 PolarHBondContact O-N 3.46Å; C136-S140 PolarHBondContact O-N 3.02Å; C136-S140 PolarHBondContact O-OG 3.34Å
137	T	40.1	Very low	46.3	Very low	75 Å²	75	80.8 Å²	80.8	46%	0.46	43%	0.431	S	S	.	.	H	α-helix	trans	-67.7	-49.7	172.3	60.2	0	0	0	0	110.7	L133 S134 D139 S140 D141	L133-T137 PolarHBondContact O-N 2.88Å; S134-T137 PolarHBondContact O-OG1 3.32Å; T137-D139 VanDerWaalsContact C-N 3.34Å; T137-D139 PolarHBondContact O-N 2.97Å; T137-S140 WeakPolarHBondContact O-CA 3.43Å; T137-S140 WeakPolarHBondContact O-CB 3.38Å; T137-S140 PolarHBondContact O-N 3.19Å; T137-D141 VanDerWaalsContact O-CG 3.26Å; T137-D141 PolarHBondContact O-N 3.38Å; T137-D141 VanDerWaalsContact O-OD2 3.1Å
138	R	45.5	Very low	45.7	Very low	105 Å²	105	80.6 Å²	80.6	40%	0.396	43%	0.425	S	S	.	.	H	α-helix	trans	-62.4	-37.1	-178.5	-69.6	171.4	78.4	161.2	4.9	113	S134 L135 S140 D141 D142 D337	S134-R138 WeakPolarHBondContact O-CB 3.49Å; S134-R138 WeakPolarHBondContact O-CD 3.45Å; S134-R138 VanDerWaalsContact O-CG 3.24Å; S134-R138 WeakPolarHBondContact O-CG 3.49Å; S134-R138 PolarHBondContact O-N 3.46Å; L135-R138 PolarHBondContact O-N 2.54Å; R138-S140 PolarHBondContact O-N 2.91Å; R138-D141 PolarHBondContact O-N 3Å; R138-D142 WeakPolarHBondContact O-CB 3.34Å; R138-D142 PolarHBondContact O-N 3.37Å; R138-D337 IonicContact NH1-OD2 3.07Å; R138-D337 PolarHBondContact NH1-OD2 3.22Å
139	D	42.4	Very low	45.8	Very low	79 Å²	79	73 Å²	73	42%	0.422	40%	0.399	S	S	.	.	H	α-helix	trans	-63.8	-22.9	171.2	172.5	69.3	0	0	0	113.4	L135 T137 K143	L135-D139 VanDerWaalsContact O-CB 3.28Å; L135-D139 WeakPolarHBondContact O-CB 3.14Å; L135-D139 PolarHBondContact O-N 3.15Å; T137-D139 VanDerWaalsContact C-N 3.34Å; T137-D139 PolarHBondContact O-N 2.97Å; D139-K143 WeakPolarHBondContact O-CD 3.2Å; D139-K143 WeakPolarHBondContact O-CE 3.39Å; D139-K143 WeakPolarHBondContact O-CG 3.5Å; D139-K143 WeakPolarHBondContact OD1-CE 3.42Å; D139-K143 IonicContact OD1-NZ 2.77Å; D139-K143 PolarHBondContact OD1-NZ 3.15Å; D139-K143 IonicContact OD2-NZ 3.19Å; D139-K143 PolarHBondContact OD2-NZ 3.31Å
140	S	44.2	Very low	45.4	Very low	63 Å²	63	72.9 Å²	72.9	44%	0.441	39%	0.393	S	S	.	.	H	α-helix	trans	-80.2	-44.5	171	-52.2	0	0	0	0	111.3	C136 T137 R138 K143 L144	C136-S140 PolarHBondContact O-N 3.02Å; C136-S140 PolarHBondContact O-OG 3.34Å; T137-S140 WeakPolarHBondContact O-CA 3.43Å; T137-S140 WeakPolarHBondContact O-CB 3.38Å; T137-S140 PolarHBondContact O-N 3.19Å; R138-S140 PolarHBondContact O-N 2.91Å; S140-K143 PolarHBondContact O-N 3.27Å; S140-L144 PolarHBondContact O-N 3.23Å; S140-L144 VanDerWaalsContact O-N 3.12Å
141	D	51.3	Low	45.2	Very low	78 Å²	78	71.3 Å²	71.3	42%	0.417	39%	0.387	S	S	.	.	H	α-helix	trans	-64	-46.3	179.4	-53.1	-40.5	0	0	0	111.7	T137 R138 K143 L144 L145	T137-D141 VanDerWaalsContact O-CG 3.26Å; T137-D141 PolarHBondContact O-N 3.38Å; T137-D141 VanDerWaalsContact O-OD2 3.1Å; R138-D141 PolarHBondContact O-N 3Å; D141-K143 VanDerWaalsContact C-N 3.28Å; D141-K143 PolarHBondContact O-N 3.07Å; D141-L144 WeakPolarHBondContact O-CB 3.31Å; D141-L144 PolarHBondContact O-N 3.08Å; D141-L145 WeakPolarHBondContact O-CG 3.24Å; D141-L145 PolarHBondContact O-N 2.62Å
142	D	47.4	Very low	45.1	Very low	34 Å²	34	73.9 Å²	73.9	18%	0.182	40%	0.396	C	S	.	.	H	α-helix	trans	-66.3	-29.3	179.1	-71.3	-35.8	0	0	0	111.8	R138 L146 I206 R210	R138-D142 WeakPolarHBondContact O-CB 3.34Å; R138-D142 PolarHBondContact O-N 3.37Å; D142-L146 VanDerWaalsContact O-CB 3.32Å; D142-L146 WeakPolarHBondContact O-CB 3.44Å; D142-L146 VanDerWaalsContact O-CG 3.26Å; D142-L146 WeakPolarHBondContact O-CG 3.34Å; D142-L146 PolarHBondContact O-N 3.04Å; D142-I206 HydrophobicContact CB-CG2 3.95Å; D142-R210 IonicContact OD1-CZ 3.55Å; D142-R210 IonicContact OD1-NH1 2.62Å; D142-R210 PolarHBondContact OD1-NH1 3.19Å
143	K	48.7	Very low	45.1	Very low	96 Å²	96	72.8 Å²	72.8	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-71.6	-37.6	171.9	-78	170.1	-168.8	156.1	0	112.7	D139 S140 D141 S147	D139-K143 WeakPolarHBondContact O-CD 3.2Å; D139-K143 WeakPolarHBondContact O-CE 3.39Å; D139-K143 WeakPolarHBondContact O-CG 3.5Å; D139-K143 WeakPolarHBondContact OD1-CE 3.42Å; D139-K143 IonicContact OD1-NZ 2.77Å; D139-K143 PolarHBondContact OD1-NZ 3.15Å; D139-K143 IonicContact OD2-NZ 3.19Å; D139-K143 PolarHBondContact OD2-NZ 3.31Å; S140-K143 PolarHBondContact O-N 3.27Å; D141-K143 VanDerWaalsContact C-N 3.28Å; D141-K143 PolarHBondContact O-N 3.07Å; K143-S147 PolarHBondContact O-N 2.76Å; K143-S147 VanDerWaalsContact O-N 3.08Å
144	L	48.6	Very low	45	Very low	107 Å²	107	73.1 Å²	73.1	56%	0.56	39%	0.388	S	S	*	.	H	α-helix	trans	-64.5	-51.6	174.2	-77.1	163.1	0	0	0	110.5	S140 D141 L146 S147 D148	S140-L144 PolarHBondContact O-N 3.23Å; S140-L144 VanDerWaalsContact O-N 3.12Å; D141-L144 WeakPolarHBondContact O-CB 3.31Å; D141-L144 PolarHBondContact O-N 3.08Å; L144-L146 PolarHBondContact O-N 3.41Å; L144-S147 WeakPolarHBondContact O-CA 3.36Å; L144-S147 WeakPolarHBondContact O-CB 3.48Å; L144-S147 PolarHBondContact O-N 2.94Å; L144-S147 PolarHBondContact O-OG 3.49Å; L144-D148 PolarHBondContact O-N 2.93Å; L144-D148 VanDerWaalsContact O-N 3.08Å; L144-D148 VanDerWaalsContact O-OD2 3.14Å
145	L	45.2	Very low	45.1	Very low	79 Å²	79	79.1 Å²	79.1	41%	0.414	42%	0.419	S	S	.	.	H	α-helix	trans	-61.2	-40.3	179.1	-68.6	173	0	0	0	112.7	D141 S147 D148 V149 R210	D141-L145 WeakPolarHBondContact O-CG 3.24Å; D141-L145 PolarHBondContact O-N 2.62Å; L145-S147 VanDerWaalsContact C-N 3.26Å; L145-S147 PolarHBondContact O-N 3.46Å; L145-D148 PolarHBondContact O-N 2.87Å; L145-V149 WeakPolarHBondContact O-CG2 3.36Å; L145-V149 PolarHBondContact O-N 3.17Å; L145-R210 HydrophobicContact CD1-CG 4.5Å
146	L	51.4	Low	45.2	Very low	19 Å²	19	76.5 Å²	76.5	10%	0.099	41%	0.412	C	S	.	.	H	α-helix	trans	-63.3	-31.2	170.8	-78.1	173	0	0	0	112.5	D142 L144 D148 N150 I206 I209 N230	D142-L146 VanDerWaalsContact O-CB 3.32Å; D142-L146 WeakPolarHBondContact O-CB 3.44Å; D142-L146 VanDerWaalsContact O-CG 3.26Å; D142-L146 WeakPolarHBondContact O-CG 3.34Å; D142-L146 PolarHBondContact O-N 3.04Å; L144-L146 PolarHBondContact O-N 3.41Å; L146-D148 VanDerWaalsContact C-N 3.34Å; L146-N150 WeakPolarHBondContact O-CB 3.34Å; L146-N150 PolarHBondContact O-N 3.41Å; L146-N150 VanDerWaalsContact O-N 3.13Å; L146-N150 PolarHBondContact O-ND2 2.99Å; L146-I206 HydrophobicContact CD1-CG1 4.11Å; L146-I206 HydrophobicContact CD1-CG2 3.97Å; L146-I206 HydrophobicContact CG-CG2 4.47Å; L146-I209 HydrophobicContact CD2-CG2 3.76Å; L146-N230 HydrophobicContact CD1-CB 3.99Å; L146-N230 WeakPolarHBondContact CD1-ND2 3.5Å
147	S	48.7	Very low	45.1	Very low	42 Å²	42	83.3 Å²	83.3	29%	0.294	43%	0.433	S	S	.	.	H	α-helix	trans	-67.2	-36.5	174.2	91.6	0	0	0	0	111.8	K143 L144 L145 N150 K151	K143-S147 PolarHBondContact O-N 2.76Å; K143-S147 VanDerWaalsContact O-N 3.08Å; L144-S147 WeakPolarHBondContact O-CA 3.36Å; L144-S147 WeakPolarHBondContact O-CB 3.48Å; L144-S147 PolarHBondContact O-N 2.94Å; L144-S147 PolarHBondContact O-OG 3.49Å; L145-S147 VanDerWaalsContact C-N 3.26Å; L145-S147 PolarHBondContact O-N 3.46Å; S147-N150 PolarHBondContact O-N 2.92Å; S147-K151 WeakPolarHBondContact O-CG 3.23Å; S147-K151 PolarHBondContact O-N 3.35Å; S147-K151 PolarHBondContact OG-NZ 3.21Å
148	D	49.1	Very low	45.4	Very low	64 Å²	64	84 Å²	84	34%	0.342	44%	0.438	S	S	.	.	H	α-helix	trans	-76.1	-45.2	179.8	-64.9	-48.3	0	0	0	112	L144 L145 L146 N150 K151 D152	L144-D148 PolarHBondContact O-N 2.93Å; L144-D148 VanDerWaalsContact O-N 3.08Å; L144-D148 VanDerWaalsContact O-OD2 3.14Å; L145-D148 PolarHBondContact O-N 2.87Å; L146-D148 VanDerWaalsContact C-N 3.34Å; D148-N150 PolarHBondContact O-N 3.16Å; D148-N150 VanDerWaalsContact O-N 3.13Å; D148-K151 WeakPolarHBondContact O-CA 3.16Å; D148-K151 WeakPolarHBondContact O-CB 3.48Å; D148-K151 PolarHBondContact O-N 3.22Å; D148-K151 WeakPolarHBondContact OD1-CD 3.2Å; D148-K151 IonicContact OD1-NZ 2.76Å; D148-K151 PolarHBondContact OD1-NZ 2.95Å; D148-D152 PolarHBondContact O-N 3.33Å
149	V	50.7	Low	45.7	Very low	28 Å²	28	87.2 Å²	87.2	17%	0.17	46%	0.455	C	S	.	.	H	α-helix	trans	-56.7	-29.9	170.7	168.5	0	0	0	0	111.9	L145 Q153	L145-V149 WeakPolarHBondContact O-CG2 3.36Å; L145-V149 PolarHBondContact O-N 3.17Å; V149-Q153 WeakPolarHBondContact O-CB 3.39Å; V149-Q153 WeakPolarHBondContact O-CG 3.5Å; V149-Q153 PolarHBondContact O-N 3.13Å; V149-Q153 PolarHBondContact O-NE2 3.09Å
150	N	48.8	Very low	47.1	Very low	64 Å²	64	87.9 Å²	87.9	34%	0.342	47%	0.466	S	S	.	.	H	α-helix	trans	-80.6	-29.2	171.6	-80.4	-62.1	0	0	0	113.8	L146 S147 D148 N154	L146-N150 WeakPolarHBondContact O-CB 3.34Å; L146-N150 PolarHBondContact O-N 3.41Å; L146-N150 VanDerWaalsContact O-N 3.13Å; L146-N150 PolarHBondContact O-ND2 2.99Å; S147-N150 PolarHBondContact O-N 2.92Å; D148-N150 PolarHBondContact O-N 3.16Å; D148-N150 VanDerWaalsContact O-N 3.13Å; N150-N154 PolarHBondContact O-N 3.09Å; N150-N154 PolarHBondContact O-ND2 3.17Å
151	K	44.6	Very low	48.8	Very low	116 Å²	116	86.4 Å²	86.4	50%	0.504	45%	0.452	S	S	.	.	H	α-helix	trans	-65.1	-46.6	172.3	-72	161.9	-152.1	159.8	0	110.6	S147 D148 Q153 N154 N155	S147-K151 WeakPolarHBondContact O-CG 3.23Å; S147-K151 PolarHBondContact O-N 3.35Å; S147-K151 PolarHBondContact OG-NZ 3.21Å; D148-K151 WeakPolarHBondContact O-CA 3.16Å; D148-K151 WeakPolarHBondContact O-CB 3.48Å; D148-K151 PolarHBondContact O-N 3.22Å; D148-K151 WeakPolarHBondContact OD1-CD 3.2Å; D148-K151 IonicContact OD1-NZ 2.76Å; D148-K151 PolarHBondContact OD1-NZ 2.95Å; K151-Q153 PolarHBondContact O-N 3.09Å; K151-N154 WeakPolarHBondContact O-CB 3.5Å; K151-N154 PolarHBondContact O-N 3.39Å; K151-N154 VanDerWaalsContact O-N 3.07Å; K151-N155 PolarHBondContact O-N 3.33Å; K151-N155 VanDerWaalsContact O-N 3.11Å
152	D	43.9	Very low	50.3	Low	112 Å²	112	88.8 Å²	88.8	60%	0.599	46%	0.459	S	S	*	.	H	α-helix	trans	-68	-36.3	-179.7	-70.6	-24.7	0	0	0	112.5	D148 N154 N155 A156	D148-D152 PolarHBondContact O-N 3.33Å; D152-N154 VanDerWaalsContact C-N 3.26Å; D152-N154 PolarHBondContact O-N 2.62Å; D152-N155 PolarHBondContact O-N 3.24Å; D152-N155 VanDerWaalsContact O-N 3.1Å; D152-A156 PolarHBondContact O-N 3.33Å
153	Q	48	Very low	52.1	Low	55 Å²	55	90 Å²	90	26%	0.257	47%	0.465	S	S	.	.	H	α-helix	trans	-62.2	-29.5	170.3	-82.3	175.6	92.6	0	0	113.5	V149 K151 Y225	V149-Q153 WeakPolarHBondContact O-CB 3.39Å; V149-Q153 WeakPolarHBondContact O-CG 3.5Å; V149-Q153 PolarHBondContact O-N 3.13Å; V149-Q153 PolarHBondContact O-NE2 3.09Å; K151-Q153 PolarHBondContact O-N 3.09Å; Q153-Y225 PolarHBondContact NE2-OH 3.5Å; Q153-Y225 PolarHBondContact OE1-OH 2.85Å
154	N	35.5	Very low	53.8	Low	124 Å²	124	91.3 Å²	91.3	66%	0.663	48%	0.477	S	S	*	.	H	α-helix	trans	-80.7	-18.6	173.6	-78.3	-66.6	0	0	0	113.3	N150 K151 D152	N150-N154 PolarHBondContact O-N 3.09Å; N150-N154 PolarHBondContact O-ND2 3.17Å; K151-N154 WeakPolarHBondContact O-CB 3.5Å; K151-N154 PolarHBondContact O-N 3.39Å; K151-N154 VanDerWaalsContact O-N 3.07Å; D152-N154 VanDerWaalsContact C-N 3.26Å; D152-N154 PolarHBondContact O-N 2.62Å
155	N	37.7	Very low	55.8	Low	140 Å²	140	88.8 Å²	88.8	75%	0.749	46%	0.464	S	S	*	.	H	α-helix	trans	-90.3	-31.2	179.2	-149.7	9.2	0	0	0	111.6	K151 D152	K151-N155 PolarHBondContact O-N 3.33Å; K151-N155 VanDerWaalsContact O-N 3.11Å; D152-N155 PolarHBondContact O-N 3.24Å; D152-N155 VanDerWaalsContact O-N 3.1Å
156	A	39.7	Very low	57.9	Low	51 Å²	51	85.5 Å²	85.5	42%	0.421	45%	0.447	S	S	.	.	S	Bend	trans	-69.1	141.5	164.2	0	0	0	0	0	111.1	D152 T158	D152-A156 PolarHBondContact O-N 3.33Å; A156-T158 PolarHBondContact O-N 2.85Å
157	K	35.2	Very low	60	Low	218 Å²	218	89.3 Å²	89.3	95%	0.948	46%	0.463	S	S	*	.	S	Bend	trans	-71.9	21.5	179.2	-71	-177.6	176.6	174.6	0	114.9	K159	K157-K159 PolarHBondContact O-N 2.97Å
158	T	46.4	Very low	62.1	Low	91 Å²	91	91.4 Å²	91.4	56%	0.558	47%	0.47	S	S	*	.			trans	-74.7	123.2	174.8	-52	0	0	0	0	108.5	A156 S160	A156-T158 PolarHBondContact O-N 2.85Å; T158-S160 PolarHBondContact O-N 3.22Å
159	K	53.1	Low	64.2	Low	172 Å²	172	92 Å²	92	75%	0.748	48%	0.479	S	S	*	.			trans	-57.1	126	171.5	-72	179.7	178.6	176	0	108.7	K157 I161	K157-K159 PolarHBondContact O-N 2.97Å; K159-I161 PolarHBondContact O-N 2.63Å
160	S	70.4	Confident	66.4	Low	93 Å²	93	97.2 Å²	97.2	65%	0.65	50%	0.496	S	S	*	.			trans	-62.9	99.8	173.8	178.7	0	0	0	0	109.7	T158 K162	T158-S160 PolarHBondContact O-N 3.22Å; S160-K162 PolarHBondContact O-N 2.81Å
161	I	80.5	Confident	68.6	Low	32 Å²	32	96.9 Å²	96.9	16%	0.164	50%	0.496	C	S	.	.			trans	-69.7	125	175.3	-60.9	169.9	0	0	0	107.8	K159 D165 V166 L185 A227 L246	K159-I161 PolarHBondContact O-N 2.63Å; I161-D165 HydrophobicContact CG2-CB 4.38Å; I161-V166 HydrophobicContact CG2-CG2 4.25Å; I161-L185 HydrophobicContact CD1-CD1 3.94Å; I161-L185 HydrophobicContact CD1-CD2 4.4Å; I161-L185 HydrophobicContact CG2-CD2 3.82Å; I161-A227 HydrophobicContact CB-CB 4Å; I161-A227 HydrophobicContact CD1-CB 4.29Å; I161-L246 HydrophobicContact CD1-CD2 4.2Å; I161-L246 HydrophobicContact CG2-CD2 4.22Å
162	K	83.9	Confident	71	Confident	128 Å²	128	94.2 Å²	94.2	56%	0.557	49%	0.487	S	S	*	.			trans	-97.7	158.4	173.1	-60	174.6	-175.1	172.5	0	109.9	S160 D164 D165	S160-K162 PolarHBondContact O-N 2.81Å; K162-D164 PolarHBondContact O-N 2.82Å; K162-D165 WeakPolarHBondContact CB-OD2 3.38Å; K162-D165 PolarHBondContact N-OD2 3.14Å; K162-D165 WeakPolarHBondContact O-CB 3.16Å; K162-D165 PolarHBondContact O-N 3.29Å
163	L	83.6	Confident	73.2	Confident	58 Å²	58	94.2 Å²	94.2	30%	0.304	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-58.1	-31.8	172.9	-170.7	61.8	0	0	0	111.9	D165 V166 L194 W244	L163-D165 PolarHBondContact O-N 3.36Å; L163-V166 WeakPolarHBondContact O-CB 3.48Å; L163-V166 PolarHBondContact O-N 3.04Å; L163-V166 VanDerWaalsContact O-N 3.11Å; L163-L194 HydrophobicContact CD1-CD1 4.15Å; L163-L194 HydrophobicContact CD1-CD2 3.86Å; L163-W244 HydrophobicContact CB-CZ2 4.38Å; L163-W244 HydrophobicContact CD1-CD2 4.35Å; L163-W244 HydrophobicContact CD1-CG 4.28Å
164	D	85.9	Confident	75.3	Confident	125 Å²	125	96.1 Å²	96.1	67%	0.668	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-65.4	-20.4	173.6	-63.9	-41	0	0	0	113.6	K162 V166 K186	K162-D164 PolarHBondContact O-N 2.82Å; D164-V166 VanDerWaalsContact C-N 3.31Å; D164-K186 WeakPolarHBondContact O-CE 3.18Å; D164-K186 PolarHBondContact O-NZ 3.36Å
165	D	89	Confident	77.7	Confident	53 Å²	53	91 Å²	91	28%	0.283	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-84.5	-7.5	175.4	-56.1	-50	0	0	0	112.2	I161 K162 L163 K186	I161-D165 HydrophobicContact CG2-CB 4.38Å; K162-D165 WeakPolarHBondContact CB-OD2 3.38Å; K162-D165 PolarHBondContact N-OD2 3.14Å; K162-D165 WeakPolarHBondContact O-CB 3.16Å; K162-D165 PolarHBondContact O-N 3.29Å; L163-D165 PolarHBondContact O-N 3.36Å; D165-K186 WeakPolarHBondContact O-CB 3.37Å; D165-K186 VanDerWaalsContact O-CG 3.26Å; D165-K186 WeakPolarHBondContact O-CG 3.41Å; D165-K186 PolarHBondContact O-N 3.12Å
166	V	91.1	Very high	79.8	Confident	11 Å²	11	94 Å²	94	7%	0.067	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.7	-178.7	-168.2	0	0	0	0	110.1	I161 L163 D164 A183 L185 L194 L246	I161-V166 HydrophobicContact CG2-CG2 4.25Å; L163-V166 WeakPolarHBondContact O-CB 3.48Å; L163-V166 PolarHBondContact O-N 3.04Å; L163-V166 VanDerWaalsContact O-N 3.11Å; D164-V166 VanDerWaalsContact C-N 3.31Å; V166-A183 HydrophobicContact CG1-CB 3.49Å; V166-A183 VanDerWaalsContact CG1-CB 3.49Å; V166-L185 HydrophobicContact CG2-CD2 4.1Å; V166-L194 HydrophobicContact CG1-CD2 4.34Å; V166-L246 HydrophobicContact CG1-CD1 4.47Å
167	K	93.8	Very high	82.1	Confident	98 Å²	98	94.4 Å²	94.4	43%	0.426	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.8	174.6	171.9	-171.6	166.6	-153.5	0	108.9	A183 E184 K186	K167-A183 CarbonylContact O-C 3.56Å; K167-A183 WeakPolarHBondContact O-CA 3.48Å; K167-A183 WeakPolarHBondContact O-CB 3.34Å; K167-E184 HydrophobicContact CB-CB 4.32Å; K167-E184 HydrophobicContact CD-CB 4.42Å; K167-E184 WeakPolarHBondContact CE-OE2 3.22Å; K167-E184 PolarHBondContact N-O 3.13Å; K167-E184 IonicContact NZ-OE1 2.8Å; K167-E184 PolarHBondContact NZ-OE1 3.45Å; K167-E184 IonicContact NZ-OE2 3.21Å; K167-E184 PolarHBondContact NZ-OE2 3.03Å; K167-E184 PolarHBondContact O-N 3.04Å; K167-K186 HydrophobicContact CB-CG 4.25Å
168	L	93.3	Very high	84.8	Confident	86 Å²	86	84.4 Å²	84.4	45%	0.45	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	143.2	176.8	-54.8	-177.4	0	0	0	110.8	W181 A183 L194	L168-W181 HydrophobicContact CB-CE3 4.09Å; L168-W181 HydrophobicContact CB-CZ3 4.47Å; L168-W181 HydrophobicContact CD1-CD2 4.36Å; L168-W181 HydrophobicContact CD1-CE3 4.37Å; L168-W181 HydrophobicContact CD2-CB 4.21Å; L168-W181 HydrophobicContact CD2-CG 4.3Å; L168-A183 HydrophobicContact CD2-CB 4.31Å; L168-L194 HydrophobicContact CD2-CD2 3.47Å; L168-L194 VanDerWaalsContact CD2-CD2 3.47Å
169	S	93.8	Very high	87	Confident	77 Å²	77	82 Å²	82	54%	0.538	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-69.7	176.7	177.1	0	0	0	0	111.7	L182	S169-L182 WeakPolarHBondContact CA-O 3.4Å; S169-L182 WeakPolarHBondContact CB-O 3.27Å; S169-L182 PolarHBondContact N-O 3.4Å
170	R	95.7	Very high	89.1	Confident	137 Å²	137	75 Å²	75	52%	0.517	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155	179.6	65.5	176	-177.1	120.6	-0.8	111.1	L172 W181 L182	R170-L172 PolarHBondContact O-N 3.15Å; R170-W181 VanDerWaalsContact C-CE3 3.47Å; R170-W181 CarbonylContact O-C 3.48Å; R170-W181 WeakPolarHBondContact O-CA 3.26Å; R170-L182 HydrophobicContact CG-CB 3.96Å; R170-L182 HydrophobicContact CG-CD2 4.2Å; R170-L182 PolarHBondContact N-O 2.83Å; R170-L182 PolarHBondContact O-N 3.11Å
171	V	96.2	Very high	90.3	Very high	57 Å²	57	73.8 Å²	73.8	35%	0.345	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	134.7	164.9	179.1	0	0	0	0	108.7	T179 W181	V171-T179 HydrophobicContact CG1-CG2 3.88Å; V171-T179 HydrophobicContact CG2-CG2 4.16Å; V171-W181 HydrophobicContact CG2-CD2 3.97Å; V171-W181 HydrophobicContact CG2-CE3 4.05Å; V171-W181 HydrophobicContact CG2-CH2 3.71Å; V171-W181 HydrophobicContact CG2-CZ2 3.6Å; V171-W181 HydrophobicContact CG2-CZ3 3.93Å
172	L	94.2	Very high	91.1	Very high	60 Å²	60	72.9 Å²	72.9	31%	0.314	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-43.3	168.2	-70.5	170.9	0	0	0	110.5	R170 V180 L182 Y249	R170-L172 PolarHBondContact O-N 3.15Å; L172-V180 HydrophobicContact CB-CG1 4.38Å; L172-V180 HydrophobicContact CD1-CG1 4.34Å; L172-V180 PolarHBondContact N-O 2.91Å; L172-L182 HydrophobicContact CD1-CB 3.9Å; L172-L182 HydrophobicContact CD2-CB 4.04Å; L172-L182 HydrophobicContact CG-CB 3.82Å; L172-Y249 HydrophobicContact CD1-CD2 3.76Å; L172-Y249 HydrophobicContact CD1-CE2 3.68Å; L172-Y249 HydrophobicContact CD2-CE2 3.92Å; L172-Y249 HydrophobicContact CG-CE2 4.47Å
173	Y	91.4	Very high	91.7	Very high	113 Å²	113	66.8 Å²	66.8	44%	0.443	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	141.7	-177.8	173.4	-118.9	0	0	0	111.2	V180	Y173-V180 HydrophobicContact CD1-CG2 4.32Å; Y173-V180 PolarHBondContact N-O 3.05Å; Y173-V180 PolarHBondContact O-N 3.01Å
174	T	91.8	Very high	92.3	Very high	95 Å²	95	66.9 Å²	66.9	58%	0.583	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	102.7	170	-58.6	0	0	0	0	108.2
175	G	84.8	Confident	92.8	Very high	17 Å²	17	61.3 Å²	61.3	18%	0.175	30%	0.297	C	S	.	.			trans	-93.2	172	176.5	0	0	0	0	0	112.5	Y177 S178	G175-Y177 PolarHBondContact O-N 3.31Å; G175-Y177 VanDerWaalsContact O-N 3.15Å; G175-S178 PolarHBondContact N-O 2.8Å
176	R	83.2	Confident	93	Very high	202 Å²	202	64.9 Å²	64.9	76%	0.762	31%	0.31	S	S	*	.	S	Bend	trans	-59.7	-23.5	176.4	178.2	174.3	177.4	-169.2	-0.2	114.1
177	Y	86.4	Confident	92.9	Very high	59 Å²	59	68.3 Å²	68.3	23%	0.231	33%	0.331	C	S	.	.	S	Bend	trans	-115.4	-20.5	-171	-53.6	-76.6	0	0	0	113.8	G175 Y197 L201 Y204 F322	G175-Y177 PolarHBondContact O-N 3.31Å; G175-Y177 VanDerWaalsContact O-N 3.15Å; Y177-Y197 WeakPolarHBondContact O-CD1 3.29Å; Y177-L201 HydrophobicContact CD1-CD2 4.5Å; Y177-Y204 AromaticContact CD1-CD2 3.88Å; Y177-Y204 HydrophobicContact CD1-CD2 3.88Å; Y177-Y204 AromaticContact CD1-CE2 3.69Å; Y177-Y204 HydrophobicContact CD1-CE2 3.69Å; Y177-Y204 HydrophobicContact CD1-CG 4.38Å; Y177-Y204 HydrophobicContact CE1-CE2 4.06Å; Y177-Y204 AromaticContact CE1-CZ 3.97Å; Y177-F322 HydrophobicContact CD1-CZ 4.34Å; Y177-F322 HydrophobicContact CD2-CE2 4.12Å; Y177-F322 AromaticContact CD2-CZ 3.72Å; Y177-F322 HydrophobicContact CD2-CZ 3.72Å; Y177-F322 HydrophobicContact CE1-CZ 4.07Å; Y177-F322 HydrophobicContact CE2-CE1 4.46Å; Y177-F322 AromaticContact CE2-CE2 3.98Å; Y177-F322 HydrophobicContact CE2-CE2 3.98Å; Y177-F322 AromaticContact CE2-CZ 3.41Å; Y177-F322 HydrophobicContact CE2-CZ 3.41Å; Y177-F322 VanDerWaalsContact CE2-CZ 3.41Å; Y177-F322 HydrophobicContact CG-CZ 4.18Å; Y177-F322 AromaticContact CZ-CZ 3.58Å
178	S	91.9	Very high	92.8	Very high	9 Å²	9	69 Å²	69	6%	0.063	34%	0.34	C	S	.	.			trans	-164.3	154.2	-171.8	59.5	0	0	0	0	112.4	G175 K195 L196	G175-S178 PolarHBondContact N-O 2.8Å; S178-K195 WeakPolarHBondContact OG-CE 3.19Å; S178-L196 CarbonylContact C-O 3.56Å; S178-L196 WeakPolarHBondContact CA-O 3.49Å; S178-L196 VanDerWaalsContact CB-O 3.28Å; S178-L196 WeakPolarHBondContact CB-O 3.49Å
179	T	93.9	Very high	92.9	Very high	40 Å²	40	67 Å²	67	25%	0.245	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128	168.3	-51.9	0	0	0	0	110.2	V171 L196	V171-T179 HydrophobicContact CG1-CG2 3.88Å; V171-T179 HydrophobicContact CG2-CG2 4.16Å; T179-L196 PolarHBondContact N-O 2.93Å; T179-L196 PolarHBondContact O-N 3.06Å
180	V	95.6	Very high	92.9	Very high	24 Å²	24	65.4 Å²	65.4	15%	0.145	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.7	175.3	-173.2	0	0	0	0	109.5	L172 Y173 A193 L194 K195	L172-V180 HydrophobicContact CB-CG1 4.38Å; L172-V180 HydrophobicContact CD1-CG1 4.34Å; L172-V180 PolarHBondContact N-O 2.91Å; Y173-V180 HydrophobicContact CD1-CG2 4.32Å; Y173-V180 PolarHBondContact N-O 3.05Å; Y173-V180 PolarHBondContact O-N 3.01Å; V180-A193 HydrophobicContact CG1-CB 4.3Å; V180-L194 CarbonylContact C-O 3.44Å; V180-L194 WeakPolarHBondContact CA-O 3.46Å; V180-K195 HydrophobicContact CG2-CB 4.28Å; V180-K195 HydrophobicContact CG2-CD 4.25Å; V180-K195 HydrophobicContact CG2-CG 3.98Å
181	W	96.9	Very high	93	Very high	68 Å²	68	63.1 Å²	63.1	26%	0.258	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.2	177.3	-69.2	77.1	0	0	0	111	L168 R170 V171 A193 L194	L168-W181 HydrophobicContact CB-CE3 4.09Å; L168-W181 HydrophobicContact CB-CZ3 4.47Å; L168-W181 HydrophobicContact CD1-CD2 4.36Å; L168-W181 HydrophobicContact CD1-CE3 4.37Å; L168-W181 HydrophobicContact CD2-CB 4.21Å; L168-W181 HydrophobicContact CD2-CG 4.3Å; R170-W181 VanDerWaalsContact C-CE3 3.47Å; R170-W181 CarbonylContact O-C 3.48Å; R170-W181 WeakPolarHBondContact O-CA 3.26Å; V171-W181 HydrophobicContact CG2-CD2 3.97Å; V171-W181 HydrophobicContact CG2-CE3 4.05Å; V171-W181 HydrophobicContact CG2-CH2 3.71Å; V171-W181 HydrophobicContact CG2-CZ2 3.6Å; V171-W181 HydrophobicContact CG2-CZ3 3.93Å; W181-A193 WeakPolarHBondContact O-CA 3.26Å; W181-L194 HydrophobicContact CB-CB 4.5Å; W181-L194 PolarHBondContact N-O 2.97Å; W181-L194 PolarHBondContact O-N 3.31Å
182	L	97.5	Very high	93	Very high	13 Å²	13	60.5 Å²	60.5	7%	0.068	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.7	155	178.3	59.6	0	0	0	107.4	S169 R170 L172 L191 Y249	S169-L182 WeakPolarHBondContact CA-O 3.4Å; S169-L182 WeakPolarHBondContact CB-O 3.27Å; S169-L182 PolarHBondContact N-O 3.4Å; R170-L182 HydrophobicContact CG-CB 3.96Å; R170-L182 HydrophobicContact CG-CD2 4.2Å; R170-L182 PolarHBondContact N-O 2.83Å; R170-L182 PolarHBondContact O-N 3.11Å; L172-L182 HydrophobicContact CD1-CB 3.9Å; L172-L182 HydrophobicContact CD2-CB 4.04Å; L172-L182 HydrophobicContact CG-CB 3.82Å; L182-L191 HydrophobicContact CD1-CB 4.18Å; L182-L191 HydrophobicContact CD1-CD1 4.49Å; L182-L191 HydrophobicContact CD1-CD2 4.23Å; L182-Y249 HydrophobicContact CD1-CD1 3.76Å; L182-Y249 HydrophobicContact CD1-CD2 3.74Å; L182-Y249 HydrophobicContact CD1-CE1 3.88Å; L182-Y249 HydrophobicContact CD1-CE2 3.86Å; L182-Y249 HydrophobicContact CD1-CG 3.68Å
183	A	96.3	Very high	93.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	169.6	177.4	0	0	0	0	0	111.4	V166 K167 L168 L191 V192 L194	V166-A183 HydrophobicContact CG1-CB 3.49Å; V166-A183 VanDerWaalsContact CG1-CB 3.49Å; K167-A183 CarbonylContact O-C 3.56Å; K167-A183 WeakPolarHBondContact O-CA 3.48Å; K167-A183 WeakPolarHBondContact O-CB 3.34Å; L168-A183 HydrophobicContact CD2-CB 4.31Å; A183-L191 WeakPolarHBondContact O-CA 3.38Å; A183-V192 HydrophobicContact CB-CG2 4.17Å; A183-V192 PolarHBondContact N-O 3.06Å; A183-V192 WeakPolarHBondContact O-CG2 3.38Å; A183-V192 PolarHBondContact O-N 2.88Å; A183-L194 HydrophobicContact CB-CB 4.42Å
184	E	96.6	Very high	93.4	Very high	60 Å²	60	52.9 Å²	52.9	28%	0.28	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	129	-174.7	179.7	-170	137	0	0	108.4	K167 K186 S190 L191	K167-E184 HydrophobicContact CB-CB 4.32Å; K167-E184 HydrophobicContact CD-CB 4.42Å; K167-E184 WeakPolarHBondContact CE-OE2 3.22Å; K167-E184 PolarHBondContact N-O 3.13Å; K167-E184 IonicContact NZ-OE1 2.8Å; K167-E184 PolarHBondContact NZ-OE1 3.45Å; K167-E184 IonicContact NZ-OE2 3.21Å; K167-E184 PolarHBondContact NZ-OE2 3.03Å; K167-E184 PolarHBondContact O-N 3.04Å; E184-K186 PolarHBondContact O-N 2.8Å; E184-S190 WeakPolarHBondContact CA-O 3.32Å; E184-L191 HydrophobicContact CB-CD2 4.39Å
185	L	94.6	Very high	93.6	Very high	9 Å²	9	49 Å²	49	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.8	174.2	-73.7	-177	0	0	0	110.4	I161 V166 T187 D188 G189 S190 V192 L246	I161-L185 HydrophobicContact CD1-CD1 3.94Å; I161-L185 HydrophobicContact CD1-CD2 4.4Å; I161-L185 HydrophobicContact CG2-CD2 3.82Å; V166-L185 HydrophobicContact CG2-CD2 4.1Å; L185-T187 PolarHBondContact O-N 3.37Å; L185-D188 PolarHBondContact O-N 2.78Å; L185-G189 WeakPolarHBondContact O-CA 3.33Å; L185-G189 PolarHBondContact O-N 3.11Å; L185-S190 PolarHBondContact N-O 2.83Å; L185-V192 HydrophobicContact CD1-CG1 3.99Å; L185-V192 HydrophobicContact CD2-CG2 4.3Å; L185-V192 HydrophobicContact CG-CG1 3.98Å; L185-V192 HydrophobicContact CG-CG2 3.97Å; L185-L246 HydrophobicContact CD2-CD2 4Å
186	K	93.2	Very high	93.9	Very high	127 Å²	127	49.3 Å²	49.3	55%	0.552	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.2	-179.9	-64.1	172	-169.4	171.2	0	113.6	D164 D165 K167 E184	D164-K186 WeakPolarHBondContact O-CE 3.18Å; D164-K186 PolarHBondContact O-NZ 3.36Å; D165-K186 WeakPolarHBondContact O-CB 3.37Å; D165-K186 VanDerWaalsContact O-CG 3.26Å; D165-K186 WeakPolarHBondContact O-CG 3.41Å; D165-K186 PolarHBondContact O-N 3.12Å; K167-K186 HydrophobicContact CB-CG 4.25Å; E184-K186 PolarHBondContact O-N 2.8Å
187	T	90.1	Very high	94.3	Very high	84 Å²	84	39.7 Å²	39.7	52%	0.515	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-29.3	-179.1	45.9	0	0	0	0	114.5	L185	L185-T187 PolarHBondContact O-N 3.37Å
188	D	92.5	Very high	94.2	Very high	112 Å²	112	39.1 Å²	39.1	60%	0.599	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-152	-2.7	-172.4	57.7	15.7	0	0	0	114.8	L185 S190	L185-D188 PolarHBondContact O-N 2.78Å; D188-S190 VanDerWaalsContact C-N 3.27Å; D188-S190 PolarHBondContact O-N 2.9Å; D188-S190 VanDerWaalsContact OD1-CB 3.23Å; D188-S190 WeakPolarHBondContact OD1-CB 3.5Å; D188-S190 PolarHBondContact OD1-N 3.4Å; D188-S190 PolarHBondContact OD1-OG 3.41Å
189	G	93.5	Very high	93.5	Very high	43 Å²	43	42 Å²	42	44%	0.443	24%	0.243	S	C	.	.			trans	76.4	8.4	-177.1	0	0	0	0	0	114.4	L185	L185-G189 WeakPolarHBondContact O-CA 3.33Å; L185-G189 PolarHBondContact O-N 3.11Å
190	S	95.1	Very high	93	Very high	44 Å²	44	42.6 Å²	42.6	31%	0.308	26%	0.257	S	S	.	.			trans	-68.8	139.2	-179.1	61.1	0	0	0	0	112.2	E184 L185 D188	E184-S190 WeakPolarHBondContact CA-O 3.32Å; L185-S190 PolarHBondContact N-O 2.83Å; D188-S190 VanDerWaalsContact C-N 3.27Å; D188-S190 PolarHBondContact O-N 2.9Å; D188-S190 VanDerWaalsContact OD1-CB 3.23Å; D188-S190 WeakPolarHBondContact OD1-CB 3.5Å; D188-S190 PolarHBondContact OD1-N 3.4Å; D188-S190 PolarHBondContact OD1-OG 3.41Å
191	L	97.1	Very high	92.6	Very high	89 Å²	89	43.9 Å²	43.9	47%	0.466	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.9	177.4	-65.4	-178.8	0	0	0	110.9	L182 A183 E184 Y249	L182-L191 HydrophobicContact CD1-CB 4.18Å; L182-L191 HydrophobicContact CD1-CD1 4.49Å; L182-L191 HydrophobicContact CD1-CD2 4.23Å; A183-L191 WeakPolarHBondContact O-CA 3.38Å; E184-L191 HydrophobicContact CB-CD2 4.39Å; L191-Y249 HydrophobicContact CB-CD1 3.91Å; L191-Y249 HydrophobicContact CD1-CD1 4.28Å; L191-Y249 HydrophobicContact CD1-CE1 4.28Å
192	V	96.9	Very high	92.2	Very high	3 Å²	3	43 Å²	43	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.7	-171.8	-71.6	0	0	0	0	110.6	A183 L185 L226 L246	A183-V192 HydrophobicContact CB-CG2 4.17Å; A183-V192 PolarHBondContact N-O 3.06Å; A183-V192 WeakPolarHBondContact O-CG2 3.38Å; A183-V192 PolarHBondContact O-N 2.88Å; L185-V192 HydrophobicContact CD1-CG1 3.99Å; L185-V192 HydrophobicContact CD2-CG2 4.3Å; L185-V192 HydrophobicContact CG-CG1 3.98Å; L185-V192 HydrophobicContact CG-CG2 3.97Å; V192-L226 HydrophobicContact CB-CD1 4.38Å; V192-L226 HydrophobicContact CG1-CD1 3.53Å; V192-L246 HydrophobicContact CB-CD1 3.92Å; V192-L246 HydrophobicContact CB-CD2 4.39Å; V192-L246 HydrophobicContact CB-CG 4.16Å; V192-L246 HydrophobicContact CG1-CD2 4.44Å; V192-L246 HydrophobicContact CG2-CD1 3.76Å; V192-L246 HydrophobicContact CG2-CD2 4.4Å; V192-L246 HydrophobicContact CG2-CG 4.38Å
193	A	97.1	Very high	91.7	Very high	12 Å²	12	49.5 Å²	49.5	10%	0.099	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.5	174.6	0	0	0	0	0	109.6	V180 W181 L246 T247	V180-A193 HydrophobicContact CG1-CB 4.3Å; W181-A193 WeakPolarHBondContact O-CA 3.26Å; A193-L246 WeakPolarHBondContact O-CA 3.08Å; A193-T247 PolarHBondContact N-O 2.8Å; A193-T247 PolarHBondContact O-N 3.36Å
194	L	96.1	Very high	91.4	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.7	178	-177.9	77.3	0	0	0	109.9	L163 V166 L168 V180 W181 A183 L196 W244 L245 L246	L163-L194 HydrophobicContact CD1-CD1 4.15Å; L163-L194 HydrophobicContact CD1-CD2 3.86Å; V166-L194 HydrophobicContact CG1-CD2 4.34Å; L168-L194 HydrophobicContact CD2-CD2 3.47Å; L168-L194 VanDerWaalsContact CD2-CD2 3.47Å; V180-L194 CarbonylContact C-O 3.44Å; V180-L194 WeakPolarHBondContact CA-O 3.46Å; W181-L194 HydrophobicContact CB-CB 4.5Å; W181-L194 PolarHBondContact N-O 2.97Å; W181-L194 PolarHBondContact O-N 3.31Å; A183-L194 HydrophobicContact CB-CB 4.42Å; L194-L196 HydrophobicContact CD1-CD2 4.42Å; L194-L196 HydrophobicContact CD2-CD1 4.37Å; L194-L196 HydrophobicContact CD2-CD2 3.75Å; L194-L196 HydrophobicContact CD2-CG 4.13Å; L194-L196 HydrophobicContact CG-CD2 3.89Å; L194-L196 HydrophobicContact CG-CG 4.24Å; L194-W244 HydrophobicContact CD1-CB 4.21Å; L194-W244 HydrophobicContact CD1-CD2 4.26Å; L194-W244 HydrophobicContact CD1-CE3 3.74Å; L194-W244 HydrophobicContact CD1-CG 4.48Å; L194-L245 WeakPolarHBondContact CA-O 3.43Å; L194-L246 HydrophobicContact CB-CD1 3.87Å; L194-L246 HydrophobicContact CD1-CB 4.42Å; L194-L246 HydrophobicContact CD1-CD1 3.7Å; L194-L246 HydrophobicContact CG-CD1 4.4Å
195	K	95.4	Very high	91.2	Very high	14 Å²	14	48.5 Å²	48.5	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.7	176.7	-171.2	169.2	178.5	-171.3	0	109.6	S178 V180 Y197 E208 W244 L245 D319	S178-K195 WeakPolarHBondContact OG-CE 3.19Å; V180-K195 HydrophobicContact CG2-CB 4.28Å; V180-K195 HydrophobicContact CG2-CD 4.25Å; V180-K195 HydrophobicContact CG2-CG 3.98Å; K195-Y197 HydrophobicContact CD-CE2 4.12Å; K195-Y197 WeakPolarHBondContact CE-OH 3.48Å; K195-Y197 HydrophobicContact CG-CE2 3.89Å; K195-Y197 PolarHBondContact NZ-OH 3.18Å; K195-E208 WeakPolarHBondContact CD-OE2 3.3Å; K195-E208 WeakPolarHBondContact CE-OE2 3.47Å; K195-E208 IonicContact NZ-OE1 3.39Å; K195-E208 PolarHBondContact NZ-OE1 3.03Å; K195-E208 IonicContact NZ-OE2 2.87Å; K195-E208 PolarHBondContact NZ-OE2 2.84Å; K195-W244 WeakPolarHBondContact O-CA 3.34Å; K195-L245 HydrophobicContact CB-CB 4.41Å; K195-L245 PolarHBondContact N-O 3.33Å; K195-L245 PolarHBondContact O-N 2.97Å; K195-D319 IonicContact NZ-OD1 3.92Å; K195-D319 PolarHBondContact NZ-OD1 3.35Å; K195-D319 IonicContact NZ-OD2 2.91Å; K195-D319 PolarHBondContact NZ-OD2 2.78Å
196	L	92.8	Very high	91	Very high	22 Å²	22	48.9 Å²	48.9	12%	0.115	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.2	-175.8	-63.5	179.6	0	0	0	110.7	S178 T179 L194 I241 W244	S178-L196 CarbonylContact C-O 3.56Å; S178-L196 WeakPolarHBondContact CA-O 3.49Å; S178-L196 VanDerWaalsContact CB-O 3.28Å; S178-L196 WeakPolarHBondContact CB-O 3.49Å; T179-L196 PolarHBondContact N-O 2.93Å; T179-L196 PolarHBondContact O-N 3.06Å; L194-L196 HydrophobicContact CD1-CD2 4.42Å; L194-L196 HydrophobicContact CD2-CD1 4.37Å; L194-L196 HydrophobicContact CD2-CD2 3.75Å; L194-L196 HydrophobicContact CD2-CG 4.13Å; L194-L196 HydrophobicContact CG-CD2 3.89Å; L194-L196 HydrophobicContact CG-CG 4.24Å; L196-I241 HydrophobicContact CD1-CD1 4.08Å; L196-I241 HydrophobicContact CD2-CD1 4.5Å; L196-I241 HydrophobicContact CD2-CG2 4.25Å; L196-W244 HydrophobicContact CD2-CB 3.67Å
197	Y	91.1	Very high	91	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.2	175.7	-71.3	-91.3	0	0	0	110.7	Y177 K195 G205 E208 E242 C243	Y177-Y197 WeakPolarHBondContact O-CD1 3.29Å; K195-Y197 HydrophobicContact CD-CE2 4.12Å; K195-Y197 WeakPolarHBondContact CE-OH 3.48Å; K195-Y197 HydrophobicContact CG-CE2 3.89Å; K195-Y197 PolarHBondContact NZ-OH 3.18Å; Y197-G205 VanDerWaalsContact CZ-N 3.35Å; Y197-E208 PolarHBondContact OH-OE2 3.32Å; Y197-E242 PolarHBondContact O-N 2.7Å; Y197-C243 PolarHBondContact N-O 2.81Å
198	A	83.7	Confident	91.2	Very high	47 Å²	47	40.5 Å²	40.5	39%	0.388	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	162.7	177.3	0	0	0	0	0	112.3	G200 L201 N240	A198-G200 PolarHBondContact O-N 3.45Å; A198-L201 HydrophobicContact CB-CD1 4.46Å; A198-L201 WeakPolarHBondContact O-CB 3.5Å; A198-L201 PolarHBondContact O-N 2.96Å; A198-N240 CarbonylContact C-O 3.45Å; A198-N240 WeakPolarHBondContact CA-O 3.5Å
199	S	78.2	Confident	91.2	Very high	70 Å²	70	35.2 Å²	35.2	49%	0.49	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	134.5	171	-174.8	0	0	0	0	112.2	L201 N240 E242	S199-L201 VanDerWaalsContact C-N 3.27Å; S199-L201 PolarHBondContact O-N 2.87Å; S199-N240 PolarHBondContact N-O 2.77Å; S199-E242 WeakPolarHBondContact CA-OE1 3.3Å; S199-E242 WeakPolarHBondContact CB-OE1 3.16Å; S199-E242 PolarHBondContact OG-OE1 2.91Å
200	G	83.6	Confident	91.2	Very high	51 Å²	51	34.9 Å²	34.9	53%	0.526	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-10.7	-174.6	0	0	0	0	0	115.2	A198 Q202	A198-G200 PolarHBondContact O-N 3.45Å; G200-Q202 VanDerWaalsContact C-OE1 3.28Å; G200-Q202 VanDerWaalsContact CA-OE1 3.26Å
201	L	87.1	Confident	91.2	Very high	51 Å²	51	32.8 Å²	32.8	27%	0.267	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-3.7	178.8	-60.3	173.5	0	0	0	113.3	Y177 A198 S199 R203 Y204	Y177-L201 HydrophobicContact CD1-CD2 4.5Å; A198-L201 HydrophobicContact CB-CD1 4.46Å; A198-L201 WeakPolarHBondContact O-CB 3.5Å; A198-L201 PolarHBondContact O-N 2.96Å; S199-L201 VanDerWaalsContact C-N 3.27Å; S199-L201 PolarHBondContact O-N 2.87Å; L201-R203 PolarHBondContact O-N 3.39Å; L201-Y204 HydrophobicContact CB-CD2 4.34Å; L201-Y204 HydrophobicContact CD2-CD2 4.19Å; L201-Y204 HydrophobicContact CD2-CE2 3.99Å; L201-Y204 WeakPolarHBondContact O-CB 3.36Å; L201-Y204 WeakPolarHBondContact O-CD2 3.13Å; L201-Y204 PolarHBondContact O-N 3.01Å
202	Q	86.7	Confident	91.1	Very high	49 Å²	49	29.2 Å²	29.2	23%	0.229	16%	0.162	C	C	.	.	H	α-helix	trans	-54.9	-29.8	-175.8	68.3	-82.9	26.4	0	0	114	G200 Y204 G205 I206 E242 C243	G200-Q202 VanDerWaalsContact C-OE1 3.28Å; G200-Q202 VanDerWaalsContact CA-OE1 3.26Å; Q202-Y204 PolarHBondContact O-N 2.7Å; Q202-Y204 VanDerWaalsContact O-N 3.13Å; Q202-G205 PolarHBondContact O-N 3.08Å; Q202-G205 VanDerWaalsContact O-N 3.11Å; Q202-I206 HydrophobicContact CB-CD1 4.34Å; Q202-I206 HydrophobicContact CG-CD1 4.06Å; Q202-I206 WeakPolarHBondContact O-CB 3.47Å; Q202-I206 VanDerWaalsContact O-CG1 3.23Å; Q202-I206 WeakPolarHBondContact O-CG1 3.24Å; Q202-I206 PolarHBondContact O-N 2.7Å; Q202-E242 HydrophobicContact CB-CB 3.97Å; Q202-E242 HydrophobicContact CG-CB 4.37Å; Q202-E242 PolarHBondContact NE2-OE2 3.17Å; Q202-C243 HydrophobicContact CB-CB 3.86Å
203	R	87.9	Confident	90.9	Very high	151 Å²	151	30.4 Å²	30.4	57%	0.57	18%	0.175	S	C	*	.	H	α-helix	trans	-54.2	-31.9	176.3	69.7	-176.1	-175.9	-171.2	0.8	113.8	L201 N207	L201-R203 PolarHBondContact O-N 3.39Å; R203-N207 WeakPolarHBondContact O-CB 3.16Å; R203-N207 PolarHBondContact O-N 3.33Å
204	Y	90.5	Very high	90.8	Very high	39 Å²	39	31.5 Å²	31.5	15%	0.153	18%	0.179	C	C	.	.	H	α-helix	trans	-73.8	-44.5	179	-65.2	-66.8	0	0	0	111.1	Y177 L201 Q202 N207 E208 F322	Y177-Y204 AromaticContact CD1-CD2 3.88Å; Y177-Y204 HydrophobicContact CD1-CD2 3.88Å; Y177-Y204 AromaticContact CD1-CE2 3.69Å; Y177-Y204 HydrophobicContact CD1-CE2 3.69Å; Y177-Y204 HydrophobicContact CD1-CG 4.38Å; Y177-Y204 HydrophobicContact CE1-CE2 4.06Å; Y177-Y204 AromaticContact CE1-CZ 3.97Å; L201-Y204 HydrophobicContact CB-CD2 4.34Å; L201-Y204 HydrophobicContact CD2-CD2 4.19Å; L201-Y204 HydrophobicContact CD2-CE2 3.99Å; L201-Y204 WeakPolarHBondContact O-CB 3.36Å; L201-Y204 WeakPolarHBondContact O-CD2 3.13Å; L201-Y204 PolarHBondContact O-N 3.01Å; Q202-Y204 PolarHBondContact O-N 2.7Å; Q202-Y204 VanDerWaalsContact O-N 3.13Å; Y204-N207 PolarHBondContact O-N 2.96Å; Y204-E208 WeakPolarHBondContact O-CB 3.03Å; Y204-E208 PolarHBondContact O-N 2.77Å; Y204-F322 AromaticContact CD1-CE1 3.91Å; Y204-F322 HydrophobicContact CD1-CE1 3.91Å; Y204-F322 HydrophobicContact CD1-CZ 4.24Å; Y204-F322 HydrophobicContact CE1-CD1 4.27Å; Y204-F322 AromaticContact CE1-CE1 3.53Å; Y204-F322 HydrophobicContact CE1-CE1 3.53Å; Y204-F322 HydrophobicContact CE1-CZ 4.15Å
205	G	92	Very high	90.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-38.8	172.6	0	0	0	0	0	113	Y197 Q202 N207 E208 I209	Y197-G205 VanDerWaalsContact CZ-N 3.35Å; Q202-G205 PolarHBondContact O-N 3.08Å; Q202-G205 VanDerWaalsContact O-N 3.11Å; G205-N207 PolarHBondContact O-N 3.05Å; G205-E208 PolarHBondContact O-N 2.86Å; G205-I209 WeakPolarHBondContact O-CB 3.32Å; G205-I209 WeakPolarHBondContact O-CD1 3.28Å; G205-I209 WeakPolarHBondContact O-CG1 3.41Å; G205-I209 PolarHBondContact O-N 3.08Å
206	I	90.6	Very high	90.6	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.082	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-45.4	173.8	-67.6	167.1	0	0	0	110.5	D142 L146 Q202 I209 R210 N230	D142-I206 HydrophobicContact CB-CG2 3.95Å; L146-I206 HydrophobicContact CD1-CG1 4.11Å; L146-I206 HydrophobicContact CD1-CG2 3.97Å; L146-I206 HydrophobicContact CG-CG2 4.47Å; Q202-I206 HydrophobicContact CB-CD1 4.34Å; Q202-I206 HydrophobicContact CG-CD1 4.06Å; Q202-I206 WeakPolarHBondContact O-CB 3.47Å; Q202-I206 VanDerWaalsContact O-CG1 3.23Å; Q202-I206 WeakPolarHBondContact O-CG1 3.24Å; Q202-I206 PolarHBondContact O-N 2.7Å; I206-I209 PolarHBondContact O-N 3.27Å; I206-R210 VanDerWaalsContact O-CB 3.24Å; I206-R210 WeakPolarHBondContact O-CB 3.48Å; I206-R210 PolarHBondContact O-N 2.99Å; I206-N230 WeakPolarHBondContact CD1-ND2 3.37Å
207	N	92.3	Very high	90.8	Very high	30 Å²	30	34.5 Å²	34.5	16%	0.16	20%	0.199	C	C	.	.	H	α-helix	trans	-63.6	-43.4	176.3	-168.4	85.4	0	0	0	112.2	R203 Y204 G205 R210 V211 F320 A323	R203-N207 WeakPolarHBondContact O-CB 3.16Å; R203-N207 PolarHBondContact O-N 3.33Å; Y204-N207 PolarHBondContact O-N 2.96Å; G205-N207 PolarHBondContact O-N 3.05Å; N207-R210 PolarHBondContact O-N 2.75Å; N207-V211 WeakPolarHBondContact O-CG2 3.38Å; N207-V211 PolarHBondContact O-N 3.2Å; N207-F320 PolarHBondContact ND2-O 3.49Å; N207-A323 PolarHBondContact ND2-O 3.23Å
208	E	94.3	Very high	90.9	Very high	5 Å²	5	44 Å²	44	2%	0.023	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-44.3	177.4	-172.7	175.4	-151.4	0	0	112.2	K195 Y197 Y204 G205 V211 L212 L245 D319 F320	K195-E208 WeakPolarHBondContact CD-OE2 3.3Å; K195-E208 WeakPolarHBondContact CE-OE2 3.47Å; K195-E208 IonicContact NZ-OE1 3.39Å; K195-E208 PolarHBondContact NZ-OE1 3.03Å; K195-E208 IonicContact NZ-OE2 2.87Å; K195-E208 PolarHBondContact NZ-OE2 2.84Å; Y197-E208 PolarHBondContact OH-OE2 3.32Å; Y204-E208 WeakPolarHBondContact O-CB 3.03Å; Y204-E208 PolarHBondContact O-N 2.77Å; G205-E208 PolarHBondContact O-N 2.86Å; E208-V211 PolarHBondContact O-N 2.57Å; E208-L212 HydrophobicContact CG-CD1 4.08Å; E208-L212 WeakPolarHBondContact O-CB 3.38Å; E208-L212 WeakPolarHBondContact O-CG 3.34Å; E208-L212 PolarHBondContact O-N 3.47Å; E208-L245 HydrophobicContact CB-CD2 4.46Å; E208-L245 HydrophobicContact CG-CD2 3.58Å; E208-L245 WeakPolarHBondContact OE2-CD2 3.34Å; E208-D319 WeakPolarHBondContact OE1-CA 3.35Å; E208-F320 HydrophobicContact CB-CB 4.49Å; E208-F320 HydrophobicContact CG-CB 4.05Å
209	I	93.9	Very high	91.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-43.3	173.3	-68.2	161	0	0	0	110.7	L146 G205 I206 V211 L212 G213 S228 C243 L245	L146-I209 HydrophobicContact CD2-CG2 3.76Å; G205-I209 WeakPolarHBondContact O-CB 3.32Å; G205-I209 WeakPolarHBondContact O-CD1 3.28Å; G205-I209 WeakPolarHBondContact O-CG1 3.41Å; G205-I209 PolarHBondContact O-N 3.08Å; I206-I209 PolarHBondContact O-N 3.27Å; I209-V211 VanDerWaalsContact C-N 3.33Å; I209-V211 PolarHBondContact O-N 2.88Å; I209-L212 PolarHBondContact O-N 3.39Å; I209-G213 WeakPolarHBondContact O-CA 3.44Å; I209-G213 PolarHBondContact O-N 3.13Å; I209-S228 WeakPolarHBondContact CG2-OG 3.46Å; I209-C243 WeakPolarHBondContact CD1-SG 3.47Å; I209-L245 HydrophobicContact CG1-CB 4.4Å; I209-L245 HydrophobicContact CG1-CD1 4.24Å
210	R	92.4	Very high	92.5	Very high	37 Å²	37	45.2 Å²	45.2	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-39.1	180	-165.7	-177.3	86.1	163.3	16.4	111.9	D142 L145 I206 N207 L214	D142-R210 IonicContact OD1-CZ 3.55Å; D142-R210 IonicContact OD1-NH1 2.62Å; D142-R210 PolarHBondContact OD1-NH1 3.19Å; L145-R210 HydrophobicContact CD1-CG 4.5Å; I206-R210 VanDerWaalsContact O-CB 3.24Å; I206-R210 WeakPolarHBondContact O-CB 3.48Å; I206-R210 PolarHBondContact O-N 2.99Å; N207-R210 PolarHBondContact O-N 2.75Å; R210-L214 WeakPolarHBondContact O-CG 3.34Å
211	V	94.7	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-74.4	-46.6	176.8	170.7	0	0	0	0	111.3	N207 E208 I209 G213 L214 M217 V297 F320 A323 I325	N207-V211 WeakPolarHBondContact O-CG2 3.38Å; N207-V211 PolarHBondContact O-N 3.2Å; E208-V211 PolarHBondContact O-N 2.57Å; I209-V211 VanDerWaalsContact C-N 3.33Å; I209-V211 PolarHBondContact O-N 2.88Å; V211-G213 PolarHBondContact O-N 2.79Å; V211-L214 PolarHBondContact O-N 2.78Å; V211-M217 HydrophobicContact CG1-CE 3.94Å; V211-M217 WeakPolarHBondContact O-CG 3.35Å; V211-V297 HydrophobicContact CG1-CG1 4.07Å; V211-F320 HydrophobicContact CB-CB 4.06Å; V211-F320 HydrophobicContact CG1-CB 3.88Å; V211-F320 HydrophobicContact CG1-CD1 3.92Å; V211-F320 HydrophobicContact CG1-CG 3.95Å; V211-A323 HydrophobicContact CG1-CB 4.37Å; V211-A323 HydrophobicContact CG2-CB 4.17Å; V211-I325 HydrophobicContact CG2-CD1 4.48Å; V211-I325 HydrophobicContact CG2-CG1 4.17Å
212	L	95.5	Very high	93.7	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.068	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-24	177.1	-76.1	173.3	0	0	0	113.8	E208 I209 V223 Y225 L245 F320	E208-L212 HydrophobicContact CG-CD1 4.08Å; E208-L212 WeakPolarHBondContact O-CB 3.38Å; E208-L212 WeakPolarHBondContact O-CG 3.34Å; E208-L212 PolarHBondContact O-N 3.47Å; I209-L212 PolarHBondContact O-N 3.39Å; L212-V223 HydrophobicContact CD2-CG1 4.44Å; L212-Y225 HydrophobicContact CB-CD2 3.86Å; L212-Y225 HydrophobicContact CB-CG 4.28Å; L212-Y225 HydrophobicContact CD1-CD2 4.18Å; L212-L245 HydrophobicContact CD1-CD1 4.01Å; L212-L245 HydrophobicContact CD1-CD2 3.81Å; L212-F320 HydrophobicContact CD1-CD2 4.28Å; L212-F320 HydrophobicContact CD2-CD2 3.71Å; L212-F320 HydrophobicContact CD2-CE2 3.61Å; L212-F320 HydrophobicContact CG-CD2 3.81Å; L212-F320 HydrophobicContact CG-CE2 4.25Å
213	G	93.2	Very high	94.2	Very high	28 Å²	28	38.6 Å²	38.6	29%	0.289	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.5	179.5	0	0	0	0	0	115.6	I209 V211	I209-G213 WeakPolarHBondContact O-CA 3.44Å; I209-G213 PolarHBondContact O-N 3.13Å; V211-G213 PolarHBondContact O-N 2.79Å
214	L	94	Very high	94.6	Very high	36 Å²	36	37.2 Å²	37.2	19%	0.188	18%	0.182	C	C	.	.	S	Bend	trans	-65	154	177.6	-64.3	170.3	0	0	0	111.8	R210 V211 M217 P295 V297 I325	R210-L214 WeakPolarHBondContact O-CG 3.34Å; V211-L214 PolarHBondContact O-N 2.78Å; L214-M217 HydrophobicContact CB-CG 3.67Å; L214-M217 PolarHBondContact O-N 2.79Å; L214-P295 HydrophobicContact CD1-CG 4.23Å; L214-V297 HydrophobicContact CD1-CG2 4.1Å; L214-I325 HydrophobicContact CD1-CD1 3.86Å; L214-I325 HydrophobicContact CD1-CG1 4.08Å; L214-I325 HydrophobicContact CD2-CD1 3.96Å; L214-I325 HydrophobicContact CG-CD1 4.31Å
215	P	94	Very high	94.8	Very high	53 Å²	53	37.1 Å²	37.1	34%	0.344	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	148	169.7	-23.1	33.3	0	0	0	112	M217 L292 Y293 K294	P215-M217 PolarHBondContact O-N 2.86Å; P215-L292 HydrophobicContact CB-CB 4.13Å; P215-L292 HydrophobicContact CB-CD2 4.36Å; P215-Y293 WeakPolarHBondContact CB-O 3.46Å; P215-Y293 WeakPolarHBondContact CG-O 3.33Å; P215-K294 WeakPolarHBondContact O-CB 3.26Å
216	L	95	Very high	94.8	Very high	38 Å²	38	39 Å²	39	20%	0.199	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	2.5	177.4	-44.1	175.5	0	0	0	117.3	K218 Y282 V287 D289 L292 K294	L216-K218 PolarHBondContact O-N 2.76Å; L216-Y282 PolarHBondContact O-OH 2.75Å; L216-V287 HydrophobicContact CD1-CB 4.22Å; L216-V287 HydrophobicContact CD1-CG1 3.86Å; L216-D289 HydrophobicContact CD1-CB 3.85Å; L216-D289 HydrophobicContact CD2-CB 4.08Å; L216-L292 HydrophobicContact CD1-CB 4.34Å; L216-L292 HydrophobicContact CD2-CB 4.01Å; L216-L292 HydrophobicContact CD2-CD1 3.84Å; L216-L292 HydrophobicContact CG-CB 4.09Å; L216-K294 HydrophobicContact CB-CB 4.13Å
217	M	95.5	Very high	94.9	Very high	9 Å²	9	38.4 Å²	38.4	4%	0.044	19%	0.19	C	C	.	.			trans	-62.6	-3.7	178.2	-77.4	-68.4	-67.1	0	0	116	V211 L214 P215 H219 L283 K294	V211-M217 HydrophobicContact CG1-CE 3.94Å; V211-M217 WeakPolarHBondContact O-CG 3.35Å; L214-M217 HydrophobicContact CB-CG 3.67Å; L214-M217 PolarHBondContact O-N 2.79Å; P215-M217 PolarHBondContact O-N 2.86Å; M217-H219 PolarHBondContact O-N 2.82Å; M217-H219 VanDerWaalsContact O-N 3.07Å; M217-L283 HydrophobicContact CE-CD1 3.83Å; M217-L283 HydrophobicContact SD-CD1 4.44Å; M217-K294 HydrophobicContact SD-CD 4.13Å; M217-K294 VanDerWaalsContact SD-CE 3.6Å; M217-K294 HydrophobicContact SD-CG 4.18Å
218	K	94.7	Very high	94.8	Very high	199 Å²	199	37.5 Å²	37.5	87%	0.865	19%	0.186	S	C	*	.			trans	-80.8	82.8	176.9	-68.1	173	-176.8	165.5	0	110.5	L216	L216-K218 PolarHBondContact O-N 2.76Å
219	H	96.9	Very high	94.2	Very high	32 Å²	32	38.6 Å²	38.6	15%	0.148	20%	0.195	C	C	.	.			trans	-115.2	152.4	178.7	177.3	-108.2	0	0	0	111.9	M217 N221 M222 Y282	M217-H219 PolarHBondContact O-N 2.82Å; M217-H219 VanDerWaalsContact O-N 3.07Å; H219-N221 PolarHBondContact CE1-OD1 3.04Å; H219-N221 VanDerWaalsContact CE1-OD1 3.31Å; H219-N221 PolarHBondContact ND1-N 2.97Å; H219-N221 PolarHBondContact O-N 2.82Å; H219-M222 HydrophobicContact CB-CB 4.4Å; H219-M222 HydrophobicContact CB-CG 3.95Å; H219-M222 PolarHBondContact O-N 3.5Å; H219-Y282 HydrophobicContact CB-CD1 3.52Å; H219-Y282 HydrophobicContact CB-CE1 3.57Å; H219-Y282 HydrophobicContact CB-CG 4.03Å; H219-Y282 AromaticContact CD2-CD2 3.61Å; H219-Y282 AromaticContact CD2-CE2 3.95Å; H219-Y282 AromaticContact CD2-CG 3.71Å; H219-Y282 AromaticContact CG-CD1 3.63Å; H219-Y282 AromaticContact CG-CD2 3.97Å; H219-Y282 AromaticContact CG-CG 3.59Å; H219-Y282 AromaticContact ND1-CG 3.83Å; H219-Y282 AromaticContact NE2-CD2 3.97Å
220	E	97.3	Very high	93.2	Very high	111 Å²	111	40.1 Å²	40.1	52%	0.519	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-28	-174.9	73.3	-167.6	80.4	0	0	113.5	K278 K310	E220-K278 IonicContact OE1-NZ 3.84Å; E220-K278 PolarHBondContact OE1-NZ 2.92Å; E220-K278 IonicContact OE2-NZ 2.66Å; E220-K278 PolarHBondContact OE2-NZ 3.2Å; E220-K310 PolarHBondContact O-NZ 3.21Å
221	N	98.4	Very high	91.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	21.8	177.2	-47.7	118.1	0	0	0	113.7	H219 S275 K278 C315 A316 I317	H219-N221 PolarHBondContact CE1-OD1 3.04Å; H219-N221 VanDerWaalsContact CE1-OD1 3.31Å; H219-N221 PolarHBondContact ND1-N 2.97Å; H219-N221 PolarHBondContact O-N 2.82Å; N221-S275 VanDerWaalsContact CB-O 3.31Å; N221-S275 WeakPolarHBondContact CB-O 3.35Å; N221-S275 VanDerWaalsContact CG-O 3.25Å; N221-S275 WeakPolarHBondContact ND2-CB 3.1Å; N221-K278 WeakPolarHBondContact OD1-CD 3.26Å; N221-C315 WeakPolarHBondContact CA-O 3.46Å; N221-C315 WeakPolarHBondContact CB-O 3.44Å; N221-C315 PolarHBondContact ND2-O 3.01Å; N221-A316 WeakPolarHBondContact O-CA 3.41Å; N221-I317 PolarHBondContact O-N 3.15Å
222	M	98.1	Very high	89.9	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.02	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-110.6	150.6	165.9	-66.9	-67.7	132.6	0	0	109.4	H219 K224 G279 L283 I317 F320	H219-M222 HydrophobicContact CB-CB 4.4Å; H219-M222 HydrophobicContact CB-CG 3.95Å; H219-M222 PolarHBondContact O-N 3.5Å; M222-K224 PolarHBondContact O-N 2.82Å; M222-G279 WeakPolarHBondContact CE-O 3.34Å; M222-L283 HydrophobicContact CE-CB 4.04Å; M222-L283 HydrophobicContact CE-CD1 4.44Å; M222-L283 HydrophobicContact SD-CD1 4.28Å; M222-I317 HydrophobicContact CE-CB 4.11Å; M222-I317 HydrophobicContact CE-CD1 4.06Å; M222-I317 HydrophobicContact CE-CG1 4.34Å; M222-I317 HydrophobicContact SD-CB 4.31Å; M222-F320 HydrophobicContact SD-CE1 4.04Å; M222-F320 HydrophobicContact SD-CZ 3.58Å; M222-F320 VanDerWaalsContact SD-CZ 3.58Å
223	V	97.1	Very high	87.6	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.042	28%	0.275	C	S	.	.			trans	-69.6	130.1	172.3	71.9	0	0	0	0	110.1	L212 Y225 T247 E248 L308 I317 C318 F320	L212-V223 HydrophobicContact CD2-CG1 4.44Å; V223-Y225 PolarHBondContact O-N 2.89Å; V223-Y225 VanDerWaalsContact O-N 3.1Å; V223-T247 HydrophobicContact CG1-CG2 4.31Å; V223-T247 HydrophobicContact CG2-CG2 4.33Å; V223-E248 HydrophobicContact CG2-CG 3.98Å; V223-L308 HydrophobicContact CG2-CD1 4.17Å; V223-I317 PolarHBondContact N-O 2.99Å; V223-C318 HydrophobicContact CB-CB 4.04Å; V223-C318 HydrophobicContact CG1-CB 3.74Å; V223-F320 HydrophobicContact CG1-CE2 4.25Å
224	K	96	Very high	85.4	Confident	123 Å²	123	57.2 Å²	57.2	54%	0.535	30%	0.3	S	S	.	.			trans	-69.4	107.8	-178	-174.7	-174.5	176.6	-174.7	0	111.8	M222 L226 T247 E248	M222-K224 PolarHBondContact O-N 2.82Å; K224-L226 HydrophobicContact CD-CD2 3.99Å; K224-L226 HydrophobicContact CG-CD2 4.04Å; K224-T247 CarbonylContact O-C 3.58Å; K224-T247 VanDerWaalsContact O-CA 3.26Å; K224-T247 WeakPolarHBondContact O-CA 3.25Å; K224-T247 WeakPolarHBondContact O-CB 3.27Å; K224-E248 HydrophobicContact CB-CB 4.09Å; K224-E248 HydrophobicContact CB-CG 3.77Å; K224-E248 WeakPolarHBondContact CB-OE1 3.3Å; K224-E248 WeakPolarHBondContact CB-OE2 3.48Å; K224-E248 PolarHBondContact N-OE1 3.36Å; K224-E248 PolarHBondContact O-N 3.21Å
225	Y	94.2	Very high	83.1	Confident	36 Å²	36	58.9 Å²	58.9	14%	0.141	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	133.8	163.8	175.9	-87.5	0	0	0	111	Q153 L212 V223 S228 L245	Q153-Y225 PolarHBondContact NE2-OH 3.5Å; Q153-Y225 PolarHBondContact OE1-OH 2.85Å; L212-Y225 HydrophobicContact CB-CD2 3.86Å; L212-Y225 HydrophobicContact CB-CG 4.28Å; L212-Y225 HydrophobicContact CD1-CD2 4.18Å; V223-Y225 PolarHBondContact O-N 2.89Å; V223-Y225 VanDerWaalsContact O-N 3.1Å; Y225-S228 PolarHBondContact OH-N 3.13Å; Y225-S228 PolarHBondContact OH-OG 3.12Å; Y225-L245 HydrophobicContact CD2-CD1 3.53Å; Y225-L245 HydrophobicContact CE2-CD1 3.64Å
226	L	92.9	Very high	80.6	Confident	39 Å²	39	65.3 Å²	65.3	20%	0.204	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-52.2	176.9	-58.5	179.9	0	0	0	112.1	V192 K224 L246 T247	V192-L226 HydrophobicContact CB-CD1 4.38Å; V192-L226 HydrophobicContact CG1-CD1 3.53Å; K224-L226 HydrophobicContact CD-CD2 3.99Å; K224-L226 HydrophobicContact CG-CD2 4.04Å; L226-L246 HydrophobicContact CB-CD2 4.22Å; L226-L246 HydrophobicContact CB-CG 4.45Å; L226-L246 WeakPolarHBondContact CB-O 3.5Å; L226-L246 HydrophobicContact CD1-CD2 4.31Å; L226-L246 HydrophobicContact CD1-CG 4.43Å; L226-L246 PolarHBondContact N-O 2.99Å; L226-T247 VanDerWaalsContact CD1-C 3.46Å; L226-T247 WeakPolarHBondContact CD1-O 3.41Å
227	A	92.1	Very high	78.2	Confident	5 Å²	5	73.4 Å²	73.4	4%	0.041	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	166	-178.4	0	0	0	0	0	110.8	I161 W244 L246	I161-A227 HydrophobicContact CB-CB 4Å; I161-A227 HydrophobicContact CD1-CB 4.29Å; A227-W244 HydrophobicContact CB-CH2 4.06Å; A227-W244 HydrophobicContact CB-CZ3 4.01Å; A227-L246 HydrophobicContact CB-CB 4.4Å; A227-L246 PolarHBondContact N-O 3.11Å; A227-L246 WeakPolarHBondContact O-CB 3.33Å; A227-L246 PolarHBondContact O-N 2.79Å
228	S	91.1	Very high	76.1	Confident	11 Å²	11	76.6 Å²	76.6	8%	0.077	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	166.3	169.9	62.1	0	0	0	0	110.6	I209 Y225 W244	I209-S228 WeakPolarHBondContact CG2-OG 3.46Å; Y225-S228 PolarHBondContact OH-N 3.13Å; Y225-S228 PolarHBondContact OH-OG 3.12Å; S228-W244 VanDerWaalsContact CA-CZ3 3.47Å; S228-W244 VanDerWaalsContact CA-O 3.3Å; S228-W244 WeakPolarHBondContact CA-O 3.3Å; S228-W244 VanDerWaalsContact CB-O 3.26Å; S228-W244 WeakPolarHBondContact CB-O 3.21Å
229	A	81.6	Confident	74.2	Confident	27 Å²	27	72.3 Å²	72.3	22%	0.223	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	147.6	157.3	0	0	0	0	0	112.3	W244	A229-W244 HydrophobicContact CB-CZ2 3.67Å; A229-W244 PolarHBondContact N-O 2.9Å; A229-W244 PolarHBondContact O-N 3.47Å
230	N	73.2	Confident	72.8	Confident	33 Å²	33	76.7 Å²	76.7	18%	0.176	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.9	163.6	-172.7	-7.5	0	0	0	107.9	L146 I206 T232 E242	L146-N230 HydrophobicContact CD1-CB 3.99Å; L146-N230 WeakPolarHBondContact CD1-ND2 3.5Å; I206-N230 WeakPolarHBondContact CD1-ND2 3.37Å; N230-T232 PolarHBondContact O-N 3.38Å; N230-T232 VanDerWaalsContact O-N 3.16Å; N230-E242 PolarHBondContact OD1-O 3.4Å
231	L	63.3	Low	71.2	Confident	60 Å²	60	74 Å²	74	31%	0.314	41%	0.405	S	S	.	.			trans	-88.1	37	-174.9	-62.8	174.5	0	0	0	112.1	A233 I241 E242	L231-A233 PolarHBondContact O-N 2.8Å; L231-I241 HydrophobicContact CD1-CG2 4.28Å; L231-I241 WeakPolarHBondContact CD1-O 3.24Å; L231-E242 PolarHBondContact N-O 2.94Å
232	T	53.4	Low	70.1	Confident	85 Å²	85	76.3 Å²	76.3	52%	0.521	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	130.8	175.8	38.1	0	0	0	0	112.1	N230 K234	N230-T232 PolarHBondContact O-N 3.38Å; N230-T232 VanDerWaalsContact O-N 3.16Å; T232-K234 VanDerWaalsContact C-N 3.29Å; T232-K234 PolarHBondContact O-N 2.87Å
233	A	48.1	Very low	69.6	Low	107 Å²	107	76.1 Å²	76.1	88%	0.884	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	10.8	170	0	0	0	0	0	117.8	L231	L231-A233 PolarHBondContact O-N 2.8Å
234	K	45.8	Very low	69.4	Low	185 Å²	185	76 Å²	76	80%	0.804	41%	0.413	S	S	*	.			trans	-137.1	45.2	167.3	-72.7	-165.9	178.4	179.7	0	113.9	T232 R236	T232-K234 VanDerWaalsContact C-N 3.29Å; T232-K234 PolarHBondContact O-N 2.87Å; K234-R236 PolarHBondContact O-N 2.86Å
235	A	46.4	Very low	69.3	Low	71 Å²	71	70.3 Å²	70.3	59%	0.587	39%	0.388	S	S	*	.			trans	-60.1	106.6	156.9	0	0	0	0	0	108.4
236	R	41.9	Very low	69.3	Low	188 Å²	188	68.6 Å²	68.6	71%	0.709	38%	0.382	S	S	*	.			trans	-65.6	139.7	163.8	-74.2	175.5	168	156.7	-4.6	107.3	K234 G238 Q239	K234-R236 PolarHBondContact O-N 2.86Å; R236-G238 PolarHBondContact O-N 2.86Å; R236-G238 VanDerWaalsContact O-N 3.15Å; R236-Q239 PolarHBondContact O-N 3.11Å
237	E	43.7	Very low	69.5	Low	208 Å²	208	67.6 Å²	67.6	97%	0.972	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	123.5	175.7	-68.3	173.2	119.5	0	0	109.6
238	G	52.1	Low	69.7	Low	76 Å²	76	69.3 Å²	69.3	78%	0.784	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	-7	-174.9	0	0	0	0	0	117.2	R236	R236-G238 PolarHBondContact O-N 2.86Å; R236-G238 VanDerWaalsContact O-N 3.15Å
239	Q	54.1	Low	70	Confident	109 Å²	109	71.2 Å²	71.2	51%	0.509	39%	0.39	S	S	.	.			trans	-102.2	100.4	175.3	-73.2	-166.8	-41.7	0	0	113.2	R236 I241	R236-Q239 PolarHBondContact O-N 3.11Å; Q239-I241 PolarHBondContact O-N 3.32Å; Q239-I241 VanDerWaalsContact O-N 3.15Å
240	N	67.3	Low	70.7	Confident	125 Å²	125	70.9 Å²	70.9	67%	0.668	39%	0.385	S	S	*	.			trans	-78.1	15.3	-178.9	-65.1	-15.1	0	0	0	115.2	A198 S199	A198-N240 CarbonylContact C-O 3.45Å; A198-N240 WeakPolarHBondContact CA-O 3.5Å; S199-N240 PolarHBondContact N-O 2.77Å
241	I	63.9	Low	71.8	Confident	54 Å²	54	72.2 Å²	72.2	28%	0.277	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.7	-177.3	-60.2	167.2	0	0	0	108.5	L196 L231 Q239	L196-I241 HydrophobicContact CD1-CD1 4.08Å; L196-I241 HydrophobicContact CD2-CD1 4.5Å; L196-I241 HydrophobicContact CD2-CG2 4.25Å; L231-I241 HydrophobicContact CD1-CG2 4.28Å; L231-I241 WeakPolarHBondContact CD1-O 3.24Å; Q239-I241 PolarHBondContact O-N 3.32Å; Q239-I241 VanDerWaalsContact O-N 3.15Å
242	E	75.5	Confident	73.4	Confident	49 Å²	49	72 Å²	72	23%	0.229	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-18.2	-179.6	-75.7	-176	-142.4	0	0	113.5	Y197 S199 Q202 N230 L231	Y197-E242 PolarHBondContact O-N 2.7Å; S199-E242 WeakPolarHBondContact CA-OE1 3.3Å; S199-E242 WeakPolarHBondContact CB-OE1 3.16Å; S199-E242 PolarHBondContact OG-OE1 2.91Å; Q202-E242 HydrophobicContact CB-CB 3.97Å; Q202-E242 HydrophobicContact CG-CB 4.37Å; Q202-E242 PolarHBondContact NE2-OE2 3.17Å; N230-E242 PolarHBondContact OD1-O 3.4Å; L231-E242 PolarHBondContact N-O 2.94Å
243	C	88.1	Confident	75.5	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	141.1	177.7	178.4	0	0	0	0	111.1	Y197 Q202 I209	Y197-C243 PolarHBondContact N-O 2.81Å; Q202-C243 HydrophobicContact CB-CB 3.86Å; I209-C243 WeakPolarHBondContact CD1-SG 3.47Å
244	W	92.1	Very high	77.8	Confident	6 Å²	6	64.5 Å²	64.5	2%	0.023	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.2	172.2	64.9	-94.5	0	0	0	112.1	L163 L194 K195 L196 A227 S228 A229 L246	L163-W244 HydrophobicContact CB-CZ2 4.38Å; L163-W244 HydrophobicContact CD1-CD2 4.35Å; L163-W244 HydrophobicContact CD1-CG 4.28Å; L194-W244 HydrophobicContact CD1-CB 4.21Å; L194-W244 HydrophobicContact CD1-CD2 4.26Å; L194-W244 HydrophobicContact CD1-CE3 3.74Å; L194-W244 HydrophobicContact CD1-CG 4.48Å; K195-W244 WeakPolarHBondContact O-CA 3.34Å; L196-W244 HydrophobicContact CD2-CB 3.67Å; A227-W244 HydrophobicContact CB-CH2 4.06Å; A227-W244 HydrophobicContact CB-CZ3 4.01Å; S228-W244 VanDerWaalsContact CA-CZ3 3.47Å; S228-W244 VanDerWaalsContact CA-O 3.3Å; S228-W244 WeakPolarHBondContact CA-O 3.3Å; S228-W244 VanDerWaalsContact CB-O 3.26Å; S228-W244 WeakPolarHBondContact CB-O 3.21Å; A229-W244 HydrophobicContact CB-CZ2 3.67Å; A229-W244 PolarHBondContact N-O 2.9Å; A229-W244 PolarHBondContact O-N 3.47Å; W244-L246 HydrophobicContact CE3-CB 4.24Å; W244-L246 HydrophobicContact CZ3-CB 3.87Å
245	L	93.9	Very high	80.4	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137	177.2	166.7	65.9	0	0	0	109	L194 K195 E208 I209 L212 Y225 T247	L194-L245 WeakPolarHBondContact CA-O 3.43Å; K195-L245 HydrophobicContact CB-CB 4.41Å; K195-L245 PolarHBondContact N-O 3.33Å; K195-L245 PolarHBondContact O-N 2.97Å; E208-L245 HydrophobicContact CB-CD2 4.46Å; E208-L245 HydrophobicContact CG-CD2 3.58Å; E208-L245 WeakPolarHBondContact OE2-CD2 3.34Å; I209-L245 HydrophobicContact CG1-CB 4.4Å; I209-L245 HydrophobicContact CG1-CD1 4.24Å; L212-L245 HydrophobicContact CD1-CD1 4.01Å; L212-L245 HydrophobicContact CD1-CD2 3.81Å; Y225-L245 HydrophobicContact CD2-CD1 3.53Å; Y225-L245 HydrophobicContact CE2-CD1 3.64Å; L245-T247 HydrophobicContact CD1-CG2 4.31Å; L245-T247 HydrophobicContact CD2-CG2 4.37Å; L245-T247 HydrophobicContact CG-CG2 4.16Å
246	L	95.4	Very high	82.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126	177.2	-165.8	81	0	0	0	110.4	I161 V166 L185 V192 A193 L194 L226 A227 W244	I161-L246 HydrophobicContact CD1-CD2 4.2Å; I161-L246 HydrophobicContact CG2-CD2 4.22Å; V166-L246 HydrophobicContact CG1-CD1 4.47Å; L185-L246 HydrophobicContact CD2-CD2 4Å; V192-L246 HydrophobicContact CB-CD1 3.92Å; V192-L246 HydrophobicContact CB-CD2 4.39Å; V192-L246 HydrophobicContact CB-CG 4.16Å; V192-L246 HydrophobicContact CG1-CD2 4.44Å; V192-L246 HydrophobicContact CG2-CD1 3.76Å; V192-L246 HydrophobicContact CG2-CD2 4.4Å; V192-L246 HydrophobicContact CG2-CG 4.38Å; A193-L246 WeakPolarHBondContact O-CA 3.08Å; L194-L246 HydrophobicContact CB-CD1 3.87Å; L194-L246 HydrophobicContact CD1-CB 4.42Å; L194-L246 HydrophobicContact CD1-CD1 3.7Å; L194-L246 HydrophobicContact CG-CD1 4.4Å; L226-L246 HydrophobicContact CB-CD2 4.22Å; L226-L246 HydrophobicContact CB-CG 4.45Å; L226-L246 WeakPolarHBondContact CB-O 3.5Å; L226-L246 HydrophobicContact CD1-CD2 4.31Å; L226-L246 HydrophobicContact CD1-CG 4.43Å; L226-L246 PolarHBondContact N-O 2.99Å; A227-L246 HydrophobicContact CB-CB 4.4Å; A227-L246 PolarHBondContact N-O 3.11Å; A227-L246 WeakPolarHBondContact O-CB 3.33Å; A227-L246 PolarHBondContact O-N 2.79Å; W244-L246 HydrophobicContact CE3-CB 4.24Å; W244-L246 HydrophobicContact CZ3-CB 3.87Å
247	T	96.2	Very high	85.4	Confident	18 Å²	18	48.8 Å²	48.8	11%	0.11	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	171.9	176.4	67.5	0	0	0	0	111.4	A193 V223 K224 L226 L245	A193-T247 PolarHBondContact N-O 2.8Å; A193-T247 PolarHBondContact O-N 3.36Å; V223-T247 HydrophobicContact CG1-CG2 4.31Å; V223-T247 HydrophobicContact CG2-CG2 4.33Å; K224-T247 CarbonylContact O-C 3.58Å; K224-T247 VanDerWaalsContact O-CA 3.26Å; K224-T247 WeakPolarHBondContact O-CA 3.25Å; K224-T247 WeakPolarHBondContact O-CB 3.27Å; L226-T247 VanDerWaalsContact CD1-C 3.46Å; L226-T247 WeakPolarHBondContact CD1-O 3.41Å; L245-T247 HydrophobicContact CD1-CG2 4.31Å; L245-T247 HydrophobicContact CD2-CG2 4.37Å; L245-T247 HydrophobicContact CG-CG2 4.16Å
248	E	95.9	Very high	88	Confident	41 Å²	41	41.1 Å²	41.1	19%	0.192	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	149	162.7	69	-171	161.1	0	0	111.6	V223 K224 L250 K310	V223-E248 HydrophobicContact CG2-CG 3.98Å; K224-E248 HydrophobicContact CB-CB 4.09Å; K224-E248 HydrophobicContact CB-CG 3.77Å; K224-E248 WeakPolarHBondContact CB-OE1 3.3Å; K224-E248 WeakPolarHBondContact CB-OE2 3.48Å; K224-E248 PolarHBondContact N-OE1 3.36Å; K224-E248 PolarHBondContact O-N 3.21Å; E248-L250 HydrophobicContact CG-CD2 4.24Å; E248-L250 HydrophobicContact CG-CG 4.25Å; E248-K310 IonicContact OE1-NZ 3.44Å
249	Y	97.4	Very high	90.2	Very high	51 Å²	51	37.5 Å²	37.5	20%	0.2	20%	0.198	C	C	.	.			trans	-98.1	126	169.5	168.7	-111.5	0	0	0	109.6	L172 L182 L191 P251	L172-Y249 HydrophobicContact CD1-CD2 3.76Å; L172-Y249 HydrophobicContact CD1-CE2 3.68Å; L172-Y249 HydrophobicContact CD2-CE2 3.92Å; L172-Y249 HydrophobicContact CG-CE2 4.47Å; L182-Y249 HydrophobicContact CD1-CD1 3.76Å; L182-Y249 HydrophobicContact CD1-CD2 3.74Å; L182-Y249 HydrophobicContact CD1-CE1 3.88Å; L182-Y249 HydrophobicContact CD1-CE2 3.86Å; L182-Y249 HydrophobicContact CD1-CG 3.68Å; L191-Y249 HydrophobicContact CB-CD1 3.91Å; L191-Y249 HydrophobicContact CD1-CD1 4.28Å; L191-Y249 HydrophobicContact CD1-CE1 4.28Å; Y249-P251 HydrophobicContact CE1-CB 3.89Å
250	L	97.1	Very high	92.3	Very high	20 Å²	20	37.4 Å²	37.4	11%	0.105	20%	0.201	C	C	.	.			trans	-107	113.9	177	-63.4	178.5	0	0	0	109.2	E248 N252 G253 L308 K310 A316	E248-L250 HydrophobicContact CG-CD2 4.24Å; E248-L250 HydrophobicContact CG-CG 4.25Å; L250-N252 VanDerWaalsContact C-N 3.31Å; L250-N252 PolarHBondContact O-N 2.89Å; L250-G253 PolarHBondContact O-N 3.36Å; L250-L308 HydrophobicContact CB-CB 4.34Å; L250-L308 HydrophobicContact CD1-CB 3.65Å; L250-L308 HydrophobicContact CD1-CD1 4.08Å; L250-K310 HydrophobicContact CD1-CG 3.89Å; L250-K310 HydrophobicContact CD2-CG 4.03Å; L250-A316 HydrophobicContact CD1-CB 4.23Å
251	P	96	Very high	93.7	Very high	62 Å²	62	35.3 Å²	35.3	40%	0.403	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-16.5	-164.3	29.4	-37.1	0	0	0	114.7	Y249 G253 L311	Y249-P251 HydrophobicContact CE1-CB 3.89Å; P251-G253 PolarHBondContact O-N 2.96Å; P251-L311 HydrophobicContact CG-CD1 4.19Å; P251-L311 HydrophobicContact CG-CD2 3.64Å; P251-L311 HydrophobicContact CG-CG 3.87Å
252	N	97.3	Very high	95.3	Very high	55 Å²	55	35.6 Å²	35.6	29%	0.294	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-2.6	176.6	-67.4	-12.3	0	0	0	112.8	L250 Y258 V309 K310	L250-N252 VanDerWaalsContact C-N 3.31Å; L250-N252 PolarHBondContact O-N 2.89Å; N252-Y258 HydrophobicContact CB-CD2 3.98Å; N252-Y258 HydrophobicContact CB-CE2 4.29Å; N252-V309 HydrophobicContact CB-CB 3.92Å; N252-V309 HydrophobicContact CB-CG1 4.1Å; N252-K310 PolarHBondContact ND2-O 3.31Å
253	G	96.9	Very high	96.3	Very high	24 Å²	24	35.8 Å²	35.8	25%	0.247	21%	0.209	C	C	.	.			trans	75.1	-155.4	175.4	0	0	0	0	0	113.5	L250 P251 L308 V309	L250-G253 PolarHBondContact O-N 3.36Å; P251-G253 PolarHBondContact O-N 2.96Å; G253-L308 WeakPolarHBondContact O-CA 3.37Å; G253-V309 PolarHBondContact O-N 2.94Å; G253-V309 VanDerWaalsContact O-N 3.1Å
254	S	97.8	Very high	96.8	Very high	11 Å²	11	35.9 Å²	35.9	8%	0.077	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-77.8	160.3	174.6	74.4	0	0	0	0	111.8	T256 D257 Y258 V307	S254-T256 PolarHBondContact O-N 3.24Å; S254-T256 PolarHBondContact OG-N 3.15Å; S254-D257 WeakPolarHBondContact CB-OD2 3.48Å; S254-D257 PolarHBondContact N-OD2 3.35Å; S254-D257 VanDerWaalsContact N-OD2 3.09Å; S254-D257 PolarHBondContact O-N 2.92Å; S254-D257 VanDerWaalsContact O-N 3.13Å; S254-D257 PolarHBondContact OG-N 3.26Å; S254-D257 PolarHBondContact OG-OD2 3.26Å; S254-Y258 WeakPolarHBondContact O-CB 3.4Å; S254-Y258 PolarHBondContact O-N 3Å; S254-V307 CarbonylContact C-O 3.6Å; S254-V307 VanDerWaalsContact CA-O 3.27Å; S254-V307 WeakPolarHBondContact CA-O 3.47Å
255	L	98.6	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-31.5	173.8	-177.9	66.8	0	0	0	111.1	Y258 L259 L272 S304 V307 V309 V378 I382	L255-Y258 PolarHBondContact O-N 3.26Å; L255-L259 HydrophobicContact CD1-CD1 3.98Å; L255-L259 HydrophobicContact CD1-CD2 4.23Å; L255-L259 HydrophobicContact CD1-CG 3.81Å; L255-L259 HydrophobicContact CD2-CD1 4.36Å; L255-L259 HydrophobicContact CG-CD1 3.76Å; L255-L259 HydrophobicContact CG-CG 4.03Å; L255-L259 VanDerWaalsContact O-CB 3.24Å; L255-L259 WeakPolarHBondContact O-CB 3.43Å; L255-L259 WeakPolarHBondContact O-CG 3.13Å; L255-L259 PolarHBondContact O-N 2.97Å; L255-L272 HydrophobicContact CD1-CD1 4.32Å; L255-L272 HydrophobicContact CD1-CD2 4.28Å; L255-S304 WeakPolarHBondContact CA-O 3.41Å; L255-S304 WeakPolarHBondContact CB-O 3.44Å; L255-S304 PolarHBondContact N-O 3.15Å; L255-S304 VanDerWaalsContact N-O 3.13Å; L255-V307 HydrophobicContact CB-CB 3.99Å; L255-V307 HydrophobicContact CB-CG1 3.96Å; L255-V307 HydrophobicContact CD2-CB 4.3Å; L255-V307 HydrophobicContact CD2-CG1 4.03Å; L255-V307 PolarHBondContact N-O 2.92Å; L255-V309 HydrophobicContact CB-CG2 4.21Å; L255-V309 HydrophobicContact CD1-CG2 3.85Å; L255-V378 HydrophobicContact CD2-CG1 3.74Å; L255-I382 HydrophobicContact CD1-CG1 4.36Å; L255-I382 HydrophobicContact CD2-CD1 3.98Å; L255-I382 HydrophobicContact CD2-CG1 3.88Å
256	T	97.6	Very high	97	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-51.7	169.1	-55.8	0	0	0	0	111.8	S254 Y258 N260 S304 R305 Y400	S254-T256 PolarHBondContact O-N 3.24Å; S254-T256 PolarHBondContact OG-N 3.15Å; T256-Y258 VanDerWaalsContact C-N 3.34Å; T256-Y258 PolarHBondContact O-N 2.93Å; T256-N260 VanDerWaalsContact O-CB 3.31Å; T256-N260 WeakPolarHBondContact O-CB 3.12Å; T256-N260 PolarHBondContact O-N 2.64Å; T256-S304 PolarHBondContact N-O 3.46Å; T256-S304 WeakPolarHBondContact OG1-CB 3.36Å; T256-S304 PolarHBondContact OG1-O 3.11Å; T256-S304 PolarHBondContact OG1-OG 3.05Å; T256-R305 HydrophobicContact CG2-CG 4.26Å; T256-R305 WeakPolarHBondContact OG1-CG 3.43Å; T256-R305 PolarHBondContact OG1-N 2.81Å; T256-Y400 HydrophobicContact CG2-CE1 3.92Å
257	D	97	Very high	97	Very high	94 Å²	94	43 Å²	43	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-42.2	-179.4	-53	-56.9	0	0	0	110.8	S254 N260 A261	S254-D257 WeakPolarHBondContact CB-OD2 3.48Å; S254-D257 PolarHBondContact N-OD2 3.35Å; S254-D257 VanDerWaalsContact N-OD2 3.09Å; S254-D257 PolarHBondContact O-N 2.92Å; S254-D257 VanDerWaalsContact O-N 3.13Å; S254-D257 PolarHBondContact OG-N 3.26Å; S254-D257 PolarHBondContact OG-OD2 3.26Å; D257-N260 PolarHBondContact O-N 3.34Å; D257-A261 WeakPolarHBondContact O-CB 3.35Å; D257-A261 PolarHBondContact O-N 3.29Å
258	Y	98.3	Very high	97	Very high	47 Å²	47	43.3 Å²	43.3	18%	0.184	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-46.3	-178.9	-169.4	-96.5	0	0	0	112.4	N252 S254 L255 T256 N260 A261 N262 L264 L272 V309	N252-Y258 HydrophobicContact CB-CD2 3.98Å; N252-Y258 HydrophobicContact CB-CE2 4.29Å; S254-Y258 WeakPolarHBondContact O-CB 3.4Å; S254-Y258 PolarHBondContact O-N 3Å; L255-Y258 PolarHBondContact O-N 3.26Å; T256-Y258 VanDerWaalsContact C-N 3.34Å; T256-Y258 PolarHBondContact O-N 2.93Å; Y258-N260 VanDerWaalsContact C-N 3.31Å; Y258-N260 PolarHBondContact O-N 3.42Å; Y258-A261 PolarHBondContact O-N 2.83Å; Y258-N262 WeakPolarHBondContact CD2-ND2 3.49Å; Y258-N262 HydrophobicContact CE1-CB 4.4Å; Y258-N262 WeakPolarHBondContact O-CB 3.44Å; Y258-N262 PolarHBondContact O-N 3.02Å; Y258-N262 PolarHBondContact O-ND2 3.17Å; Y258-L264 HydrophobicContact CE1-CD2 3.9Å; Y258-L272 HydrophobicContact CD1-CD1 4.35Å; Y258-L272 HydrophobicContact CE1-CD1 4.06Å; Y258-V309 HydrophobicContact CD1-CG1 4.32Å; Y258-V309 HydrophobicContact CD1-CG2 4.12Å; Y258-V309 HydrophobicContact CD2-CB 4.29Å; Y258-V309 HydrophobicContact CD2-CG1 4.07Å; Y258-V309 HydrophobicContact CD2-CG2 4.44Å; Y258-V309 HydrophobicContact CE1-CG1 4.36Å; Y258-V309 HydrophobicContact CE2-CG1 4.11Å; Y258-V309 HydrophobicContact CG-CB 4.22Å; Y258-V309 HydrophobicContact CG-CG1 4.17Å; Y258-V309 HydrophobicContact CG-CG2 3.87Å
259	L	98.4	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-27.6	176.9	-69.5	177.5	0	0	0	112.6	L255 N262 L264 E381 I382 R385 Y400	L255-L259 HydrophobicContact CD1-CD1 3.98Å; L255-L259 HydrophobicContact CD1-CD2 4.23Å; L255-L259 HydrophobicContact CD1-CG 3.81Å; L255-L259 HydrophobicContact CD2-CD1 4.36Å; L255-L259 HydrophobicContact CG-CD1 3.76Å; L255-L259 HydrophobicContact CG-CG 4.03Å; L255-L259 VanDerWaalsContact O-CB 3.24Å; L255-L259 WeakPolarHBondContact O-CB 3.43Å; L255-L259 WeakPolarHBondContact O-CG 3.13Å; L255-L259 PolarHBondContact O-N 2.97Å; L259-N262 VanDerWaalsContact O-O 3.05Å; L259-L264 HydrophobicContact CD2-CD1 3.76Å; L259-L264 HydrophobicContact CD2-CG 4.35Å; L259-E381 HydrophobicContact CD1-CB 3.84Å; L259-I382 HydrophobicContact CD1-CG1 4.24Å; L259-R385 HydrophobicContact CB-CG 4.19Å; L259-R385 HydrophobicContact CD2-CB 4.05Å; L259-R385 HydrophobicContact CD2-CG 4.06Å; L259-R385 PolarHBondContact O-NE 2.84Å; L259-R385 PolarHBondContact O-NH2 2.68Å; L259-Y400 HydrophobicContact CB-CD2 3.66Å; L259-Y400 HydrophobicContact CB-CE2 3.81Å; L259-Y400 HydrophobicContact CB-CG 4.38Å; L259-Y400 HydrophobicContact CD1-CE2 4.07Å
260	N	97.2	Very high	97.1	Very high	106 Å²	106	39.2 Å²	39.2	57%	0.567	24%	0.239	S	C	*	.	H	α-helix	trans	-68.2	-48	172.6	-164	-62.2	0	0	0	111.2	T256 D257 Y258 Y400	T256-N260 VanDerWaalsContact O-CB 3.31Å; T256-N260 WeakPolarHBondContact O-CB 3.12Å; T256-N260 PolarHBondContact O-N 2.64Å; D257-N260 PolarHBondContact O-N 3.34Å; Y258-N260 VanDerWaalsContact C-N 3.31Å; Y258-N260 PolarHBondContact O-N 3.42Å; N260-Y400 HydrophobicContact CB-CD1 3.96Å; N260-Y400 HydrophobicContact CB-CG 4.36Å
261	A	97.1	Very high	97.1	Very high	81 Å²	81	42.6 Å²	42.6	67%	0.669	25%	0.253	S	S	*	.	H	α-helix	trans	-78.8	-26.7	-177	0	0	0	0	0	114.8	D257 Y258	D257-A261 WeakPolarHBondContact O-CB 3.35Å; D257-A261 PolarHBondContact O-N 3.29Å; Y258-A261 PolarHBondContact O-N 2.83Å
262	N	97.5	Very high	97.2	Very high	61 Å²	61	39.8 Å²	39.8	33%	0.326	24%	0.235	S	C	.	.			trans	-123.9	147.6	-171.9	-53.8	-90.2	0	0	0	112.1	Y258 L259 R385	Y258-N262 WeakPolarHBondContact CD2-ND2 3.49Å; Y258-N262 HydrophobicContact CE1-CB 4.4Å; Y258-N262 WeakPolarHBondContact O-CB 3.44Å; Y258-N262 PolarHBondContact O-N 3.02Å; Y258-N262 PolarHBondContact O-ND2 3.17Å; L259-N262 VanDerWaalsContact O-O 3.05Å; N262-R385 PolarHBondContact O-NE 3.19Å; N262-R385 PolarHBondContact O-NH2 3.16Å
263	S	96.8	Very high	97.2	Very high	52 Å²	52	37.1 Å²	37.1	36%	0.364	22%	0.221	S	C	.	.			trans	-96.5	162.8	156.8	40.8	0	0	0	0	109.5	E387	S263-E387 WeakPolarHBondContact CB-OE1 3.34Å; S263-E387 PolarHBondContact OG-OE1 3.01Å
264	L	97.4	Very high	97.3	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-122.7	141.2	-169.1	-53.7	176.9	0	0	0	111.5	Y258 L259 A268 M269 L272 I382 R385 C386 E387	Y258-L264 HydrophobicContact CE1-CD2 3.9Å; L259-L264 HydrophobicContact CD2-CD1 3.76Å; L259-L264 HydrophobicContact CD2-CG 4.35Å; L264-A268 HydrophobicContact CB-CB 4.16Å; L264-A268 HydrophobicContact CD2-CB 4.2Å; L264-M269 HydrophobicContact CB-CB 4.44Å; L264-M269 HydrophobicContact CD1-CB 4.3Å; L264-L272 HydrophobicContact CD1-CD1 3.74Å; L264-L272 HydrophobicContact CD2-CD1 3.71Å; L264-L272 HydrophobicContact CG-CD1 4.4Å; L264-I382 HydrophobicContact CD1-CG2 3.6Å; L264-R385 HydrophobicContact CD1-CB 4.38Å; L264-R385 HydrophobicContact CG-CB 4.31Å; L264-R385 PolarHBondContact N-O 3.31Å; L264-C386 CarbonylContact O-C 3.44Å; L264-C386 VanDerWaalsContact O-CA 3.3Å; L264-C386 WeakPolarHBondContact O-CA 3.36Å; L264-E387 PolarHBondContact O-N 3.25Å
265	S	95.8	Very high	97.3	Very high	55 Å²	55	37 Å²	37	39%	0.385	22%	0.216	S	C	.	.			trans	-74.2	166.4	157.5	64.6	0	0	0	0	110.8	D267 A268 M269 D388	S265-D267 VanDerWaalsContact C-N 3.3Å; S265-D267 PolarHBondContact O-N 2.78Å; S265-A268 PolarHBondContact O-N 3.49Å; S265-A268 VanDerWaalsContact O-N 3.1Å; S265-A268 PolarHBondContact OG-N 2.64Å; S265-M269 WeakPolarHBondContact O-CB 3.35Å; S265-M269 PolarHBondContact O-N 2.83Å; S265-D388 WeakPolarHBondContact CA-OD2 3.42Å
266	W	94.8	Very high	97.3	Very high	15 Å²	15	37 Å²	37	6%	0.057	22%	0.216	C	C	.	.	H	α-helix	trans	-52.1	-46.1	172.7	-177.8	-103.5	0	0	0	112.4	A268 M269 C270 D388 V389 P441 L442 L445 L473 I476 C478	W266-A268 PolarHBondContact O-N 2.93Å; W266-M269 HydrophobicContact CD2-CE 3.82Å; W266-M269 HydrophobicContact CE3-CE 3.42Å; W266-M269 VanDerWaalsContact CE3-CE 3.42Å; W266-M269 HydrophobicContact CH2-CE 3.82Å; W266-M269 HydrophobicContact CZ2-CE 4.2Å; W266-M269 HydrophobicContact CZ3-CE 3.41Å; W266-M269 VanDerWaalsContact CZ3-CE 3.41Å; W266-M269 PolarHBondContact O-N 3.08Å; W266-C270 WeakPolarHBondContact O-CB 3.48Å; W266-C270 PolarHBondContact O-N 3.36Å; W266-C270 PolarHBondContact O-SG 2.75Å; W266-D388 PolarHBondContact N-OD2 2.83Å; W266-V389 HydrophobicContact CE3-CG2 4.35Å; W266-V389 HydrophobicContact CZ3-CG2 4.28Å; W266-P441 HydrophobicContact CH2-CB 4.04Å; W266-P441 HydrophobicContact CZ2-CB 3.88Å; W266-P441 HydrophobicContact CZ2-CG 4.5Å; W266-L442 HydrophobicContact CH2-CD2 3.99Å; W266-L442 HydrophobicContact CZ3-CD2 3.54Å; W266-L445 HydrophobicContact CH2-CD2 3.97Å; W266-L445 HydrophobicContact CZ3-CD2 4Å; W266-L473 HydrophobicContact CZ2-CD1 4.46Å; W266-I476 PolarHBondContact NE1-O 3.18Å; W266-C478 HydrophobicContact CB-CB 3.74Å; W266-C478 HydrophobicContact CD2-CB 3.8Å; W266-C478 HydrophobicContact CE3-CB 4.24Å; W266-C478 HydrophobicContact CG-CB 3.56Å
267	D	95.2	Very high	97.4	Very high	87 Å²	87	36.1 Å²	36.1	47%	0.465	21%	0.21	S	C	.	.	H	α-helix	trans	-61	-40.8	176.6	168.4	75.4	0	0	0	112.5	S265 K271	S265-D267 VanDerWaalsContact C-N 3.3Å; S265-D267 PolarHBondContact O-N 2.78Å; D267-K271 WeakPolarHBondContact O-CB 3.19Å; D267-K271 WeakPolarHBondContact O-CD 3.29Å; D267-K271 VanDerWaalsContact O-CG 3.29Å; D267-K271 WeakPolarHBondContact O-CG 3.38Å; D267-K271 PolarHBondContact O-N 2.81Å; D267-K271 WeakPolarHBondContact OD1-CE 3.41Å; D267-K271 IonicContact OD1-NZ 3.79Å; D267-K271 PolarHBondContact OD1-NZ 3.04Å; D267-K271 WeakPolarHBondContact OD2-CE 3.4Å; D267-K271 IonicContact OD2-NZ 2.9Å; D267-K271 PolarHBondContact OD2-NZ 3.01Å
268	A	97	Very high	97.4	Very high	24 Å²	24	34.8 Å²	34.8	20%	0.198	20%	0.2	C	C	.	.	H	α-helix	trans	-69.1	-42	176.2	0	0	0	0	0	112.2	L264 S265 W266 K271 L272	L264-A268 HydrophobicContact CB-CB 4.16Å; L264-A268 HydrophobicContact CD2-CB 4.2Å; S265-A268 PolarHBondContact O-N 3.49Å; S265-A268 VanDerWaalsContact O-N 3.1Å; S265-A268 PolarHBondContact OG-N 2.64Å; W266-A268 PolarHBondContact O-N 2.93Å; A268-K271 PolarHBondContact O-N 2.8Å; A268-L272 WeakPolarHBondContact O-CB 3.32Å; A268-L272 VanDerWaalsContact O-CG 3.28Å; A268-L272 WeakPolarHBondContact O-CG 3.42Å; A268-L272 PolarHBondContact O-N 2.92Å
269	M	97.6	Very high	97.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-57.8	-50.6	172.6	-179.9	-69.4	-65.8	0	0	110.7	L264 S265 W266 K271 L272 A273 I382 V383 C386 L445	L264-M269 HydrophobicContact CB-CB 4.44Å; L264-M269 HydrophobicContact CD1-CB 4.3Å; S265-M269 WeakPolarHBondContact O-CB 3.35Å; S265-M269 PolarHBondContact O-N 2.83Å; W266-M269 HydrophobicContact CD2-CE 3.82Å; W266-M269 HydrophobicContact CE3-CE 3.42Å; W266-M269 VanDerWaalsContact CE3-CE 3.42Å; W266-M269 HydrophobicContact CH2-CE 3.82Å; W266-M269 HydrophobicContact CZ2-CE 4.2Å; W266-M269 HydrophobicContact CZ3-CE 3.41Å; W266-M269 VanDerWaalsContact CZ3-CE 3.41Å; W266-M269 PolarHBondContact O-N 3.08Å; M269-K271 PolarHBondContact O-N 3.15Å; M269-L272 PolarHBondContact O-N 2.87Å; M269-A273 WeakPolarHBondContact O-CB 3.46Å; M269-A273 PolarHBondContact O-N 3.18Å; M269-A273 HydrophobicContact SD-CB 4.31Å; M269-I382 HydrophobicContact CB-CG2 4.38Å; M269-I382 HydrophobicContact CG-CG2 4.02Å; M269-V383 HydrophobicContact CG-CG2 4.17Å; M269-V383 HydrophobicContact SD-CG2 3.9Å; M269-C386 HydrophobicContact CB-CB 4.08Å; M269-C386 HydrophobicContact CG-CB 3.94Å; M269-L445 HydrophobicContact CE-CD2 3.83Å; M269-L445 HydrophobicContact SD-CD2 4.14Å
270	C	97	Very high	97.5	Very high	6 Å²	6	32.6 Å²	32.6	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-56.8	-44.8	177.7	-77.2	0	0	0	0	112.8	W266 S274 C474	W266-C270 WeakPolarHBondContact O-CB 3.48Å; W266-C270 PolarHBondContact O-N 3.36Å; W266-C270 PolarHBondContact O-SG 2.75Å; C270-S274 WeakPolarHBondContact O-CB 3.32Å; C270-S274 PolarHBondContact O-N 3.09Å; C270-S274 PolarHBondContact O-OG 3.03Å; C270-C474 VanDerWaalsContact CA-SG 3.58Å; C270-C474 HydrophobicContact CB-CB 3.84Å; C270-C474 WeakPolarHBondContact CB-SG 3.48Å; C270-C474 PolarHBondContact SG-SG 3.37Å
271	K	97.2	Very high	97.5	Very high	91 Å²	91	28 Å²	28	40%	0.396	17%	0.168	S	C	.	.	H	α-helix	trans	-65.5	-48.8	177.7	-77.3	166.4	179.6	163	0	112.5	D267 A268 M269 S275	D267-K271 WeakPolarHBondContact O-CB 3.19Å; D267-K271 WeakPolarHBondContact O-CD 3.29Å; D267-K271 VanDerWaalsContact O-CG 3.29Å; D267-K271 WeakPolarHBondContact O-CG 3.38Å; D267-K271 PolarHBondContact O-N 2.81Å; D267-K271 WeakPolarHBondContact OD1-CE 3.41Å; D267-K271 IonicContact OD1-NZ 3.79Å; D267-K271 PolarHBondContact OD1-NZ 3.04Å; D267-K271 WeakPolarHBondContact OD2-CE 3.4Å; D267-K271 IonicContact OD2-NZ 2.9Å; D267-K271 PolarHBondContact OD2-NZ 3.01Å; A268-K271 PolarHBondContact O-N 2.8Å; M269-K271 PolarHBondContact O-N 3.15Å; K271-S275 VanDerWaalsContact O-CB 3.29Å; K271-S275 WeakPolarHBondContact O-CB 3.29Å; K271-S275 PolarHBondContact O-N 3.43Å; K271-S275 PolarHBondContact O-OG 2.94Å
272	L	98.5	Very high	97.6	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-48.5	178.3	-66.9	169.1	0	0	0	110.7	L255 Y258 L264 A268 M269 S275 V276 V309 G313 C315 I382	L255-L272 HydrophobicContact CD1-CD1 4.32Å; L255-L272 HydrophobicContact CD1-CD2 4.28Å; Y258-L272 HydrophobicContact CD1-CD1 4.35Å; Y258-L272 HydrophobicContact CE1-CD1 4.06Å; L264-L272 HydrophobicContact CD1-CD1 3.74Å; L264-L272 HydrophobicContact CD2-CD1 3.71Å; L264-L272 HydrophobicContact CG-CD1 4.4Å; A268-L272 WeakPolarHBondContact O-CB 3.32Å; A268-L272 VanDerWaalsContact O-CG 3.28Å; A268-L272 WeakPolarHBondContact O-CG 3.42Å; A268-L272 PolarHBondContact O-N 2.92Å; M269-L272 PolarHBondContact O-N 2.87Å; L272-S275 PolarHBondContact O-N 2.79Å; L272-S275 PolarHBondContact O-OG 3.45Å; L272-S275 VanDerWaalsContact O-OG 3.11Å; L272-V276 WeakPolarHBondContact O-CG2 3.38Å; L272-V276 PolarHBondContact O-N 2.85Å; L272-V276 VanDerWaalsContact O-N 3.09Å; L272-V309 HydrophobicContact CD2-CG1 3.97Å; L272-V309 HydrophobicContact CD2-CG2 4.13Å; L272-G313 WeakPolarHBondContact CD2-O 3.38Å; L272-C315 WeakPolarHBondContact CD2-SG 3.34Å; L272-I382 HydrophobicContact CB-CD1 4.1Å; L272-I382 HydrophobicContact CB-CG2 3.89Å; L272-I382 HydrophobicContact CD1-CG2 4.27Å
273	A	98.4	Very high	97.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.7	-52.2	179.5	0	0	0	0	0	112.4	M269 S275 V276 A277 L379 I382 L470	M269-A273 WeakPolarHBondContact O-CB 3.46Å; M269-A273 PolarHBondContact O-N 3.18Å; M269-A273 HydrophobicContact SD-CB 4.31Å; A273-S275 PolarHBondContact O-N 3Å; A273-V276 PolarHBondContact O-N 3.25Å; A273-A277 PolarHBondContact O-N 2.92Å; A273-L379 HydrophobicContact CB-CD2 3.66Å; A273-I382 HydrophobicContact CB-CD1 4.43Å; A273-L470 HydrophobicContact CB-CD1 4.33Å; A273-L470 HydrophobicContact CB-CD2 4.12Å
274	S	97.8	Very high	97.7	Very high	25 Å²	25	21.8 Å²	21.8	18%	0.175	12%	0.116	C	C	.	.	H	α-helix	trans	-63.6	-39.7	-178.2	-61.4	0	0	0	0	112.5	C270 A277 K278 C474	C270-S274 WeakPolarHBondContact O-CB 3.32Å; C270-S274 PolarHBondContact O-N 3.09Å; C270-S274 PolarHBondContact O-OG 3.03Å; S274-A277 PolarHBondContact O-N 3.31Å; S274-K278 WeakPolarHBondContact O-CB 3.36Å; S274-K278 PolarHBondContact O-N 2.84Å; S274-C474 PolarHBondContact OG-SG 3.17Å
275	S	98.4	Very high	97.7	Very high	7 Å²	7	23.4 Å²	23.4	5%	0.049	13%	0.13	C	C	.	.	H	α-helix	trans	-71.9	-34.7	-179.6	55.2	0	0	0	0	113.3	N221 K271 L272 A273 G279 C315	N221-S275 VanDerWaalsContact CB-O 3.31Å; N221-S275 WeakPolarHBondContact CB-O 3.35Å; N221-S275 VanDerWaalsContact CG-O 3.25Å; N221-S275 WeakPolarHBondContact ND2-CB 3.1Å; K271-S275 VanDerWaalsContact O-CB 3.29Å; K271-S275 WeakPolarHBondContact O-CB 3.29Å; K271-S275 PolarHBondContact O-N 3.43Å; K271-S275 PolarHBondContact O-OG 2.94Å; L272-S275 PolarHBondContact O-N 2.79Å; L272-S275 PolarHBondContact O-OG 3.45Å; L272-S275 VanDerWaalsContact O-OG 3.11Å; A273-S275 PolarHBondContact O-N 3Å; S275-G279 PolarHBondContact O-N 3Å; S275-C315 WeakPolarHBondContact OG-CB 3.13Å; S275-C315 PolarHBondContact OG-N 3.25Å
276	V	98.7	Very high	97.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-48.6	170.9	178.9	0	0	0	0	110.7	L272 A273 K278 G279 V280 V307 C315 L375 V378	L272-V276 WeakPolarHBondContact O-CG2 3.38Å; L272-V276 PolarHBondContact O-N 2.85Å; L272-V276 VanDerWaalsContact O-N 3.09Å; A273-V276 PolarHBondContact O-N 3.25Å; V276-K278 VanDerWaalsContact C-N 3.34Å; V276-K278 PolarHBondContact O-N 3.46Å; V276-G279 WeakPolarHBondContact O-CA 3.46Å; V276-G279 PolarHBondContact O-N 2.88Å; V276-G279 VanDerWaalsContact O-N 3.08Å; V276-V280 PolarHBondContact O-N 3.01Å; V276-V307 HydrophobicContact CG1-CG2 4.28Å; V276-V307 HydrophobicContact CG2-CG1 3.68Å; V276-V307 HydrophobicContact CG2-CG2 4.4Å; V276-C315 HydrophobicContact CG2-CB 3.48Å; V276-C315 VanDerWaalsContact CG2-CB 3.48Å; V276-C315 VanDerWaalsContact CG2-SG 3.58Å; V276-L375 HydrophobicContact CG1-CD1 3.7Å; V276-V378 HydrophobicContact CG1-CG1 4.31Å
277	A	98.7	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-42.2	179.4	0	0	0	0	0	112.2	A273 S274 G279 V280 A281 L375 Q467 L470	A273-A277 PolarHBondContact O-N 2.92Å; S274-A277 PolarHBondContact O-N 3.31Å; A277-G279 VanDerWaalsContact C-N 3.31Å; A277-G279 PolarHBondContact O-N 3.13Å; A277-V280 PolarHBondContact O-N 3.48Å; A277-A281 VanDerWaalsContact O-CB 3.31Å; A277-A281 WeakPolarHBondContact O-CB 3.4Å; A277-A281 PolarHBondContact O-N 2.98Å; A277-L375 HydrophobicContact CB-CD2 4.4Å; A277-Q467 HydrophobicContact CB-CB 4.09Å; A277-L470 HydrophobicContact CB-CD1 3.54Å
278	K	98.5	Very high	97.6	Very high	67 Å²	67	27.1 Å²	27.1	29%	0.291	15%	0.152	S	C	.	.	H	α-helix	trans	-63.1	-34.5	173.4	-170.7	-179.7	164.7	-174.2	0	112.8	E220 N221 S274 V276 Y282 Q467	E220-K278 IonicContact OE1-NZ 3.84Å; E220-K278 PolarHBondContact OE1-NZ 2.92Å; E220-K278 IonicContact OE2-NZ 2.66Å; E220-K278 PolarHBondContact OE2-NZ 3.2Å; N221-K278 WeakPolarHBondContact OD1-CD 3.26Å; S274-K278 WeakPolarHBondContact O-CB 3.36Å; S274-K278 PolarHBondContact O-N 2.84Å; V276-K278 VanDerWaalsContact C-N 3.34Å; V276-K278 PolarHBondContact O-N 3.46Å; K278-Y282 VanDerWaalsContact O-CB 3.32Å; K278-Y282 WeakPolarHBondContact O-CB 3.36Å; K278-Y282 PolarHBondContact O-N 2.94Å; K278-Q467 HydrophobicContact CB-CG 3.84Å; K278-Q467 HydrophobicContact CG-CG 4.31Å
279	G	98.6	Very high	97.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-54.5	168.6	0	0	0	0	0	112.6	M222 S275 V276 A277 A281 Y282 L283	M222-G279 WeakPolarHBondContact CE-O 3.34Å; S275-G279 PolarHBondContact O-N 3Å; V276-G279 WeakPolarHBondContact O-CA 3.46Å; V276-G279 PolarHBondContact O-N 2.88Å; V276-G279 VanDerWaalsContact O-N 3.08Å; A277-G279 VanDerWaalsContact C-N 3.31Å; A277-G279 PolarHBondContact O-N 3.13Å; G279-A281 PolarHBondContact O-N 3.34Å; G279-Y282 PolarHBondContact O-N 3.3Å; G279-L283 PolarHBondContact O-N 3.2Å
280	V	98.8	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-43	-179.2	-175.1	0	0	0	0	111.2	V276 A277 Y282 L283 H284 I302 I317 D371 L375 A463	V276-V280 PolarHBondContact O-N 3.01Å; A277-V280 PolarHBondContact O-N 3.48Å; V280-Y282 PolarHBondContact O-N 3.04Å; V280-L283 WeakPolarHBondContact O-CB 3.44Å; V280-L283 PolarHBondContact O-N 2.81Å; V280-H284 WeakPolarHBondContact O-CB 3.49Å; V280-H284 PolarHBondContact O-N 3.19Å; V280-I302 HydrophobicContact CG2-CD1 4.1Å; V280-I317 HydrophobicContact CB-CD1 4.49Å; V280-I317 HydrophobicContact CG2-CD1 3.63Å; V280-D371 HydrophobicContact CG1-CB 4.31Å; V280-L375 HydrophobicContact CB-CD2 4.33Å; V280-L375 HydrophobicContact CG2-CD1 4.22Å; V280-L375 HydrophobicContact CG2-CD2 4.39Å; V280-A463 HydrophobicContact CB-CB 4.16Å; V280-A463 HydrophobicContact CG1-CB 3.69Å
281	A	98.7	Very high	96.9	Very high	9 Å²	9	42.9 Å²	42.9	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-57.6	-46.1	176.1	0	0	0	0	0	112.1	A277 G279 L283 H284 A285 A463 Q467	A277-A281 VanDerWaalsContact O-CB 3.31Å; A277-A281 WeakPolarHBondContact O-CB 3.4Å; A277-A281 PolarHBondContact O-N 2.98Å; G279-A281 PolarHBondContact O-N 3.34Å; A281-L283 VanDerWaalsContact C-N 3.35Å; A281-L283 PolarHBondContact O-N 2.93Å; A281-H284 PolarHBondContact O-N 3.29Å; A281-A285 WeakPolarHBondContact O-CB 3.46Å; A281-A285 PolarHBondContact O-N 2.8Å; A281-A463 HydrophobicContact CB-CB 4.34Å; A281-Q467 HydrophobicContact CB-CB 4.2Å
282	Y	98.5	Very high	96.7	Very high	48 Å²	48	42.7 Å²	42.7	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-36.8	177.2	-168.2	-93	0	0	0	112.7	L216 H219 K278 G279 V280 V287 K294	L216-Y282 PolarHBondContact O-OH 2.75Å; H219-Y282 HydrophobicContact CB-CD1 3.52Å; H219-Y282 HydrophobicContact CB-CE1 3.57Å; H219-Y282 HydrophobicContact CB-CG 4.03Å; H219-Y282 AromaticContact CD2-CD2 3.61Å; H219-Y282 AromaticContact CD2-CE2 3.95Å; H219-Y282 AromaticContact CD2-CG 3.71Å; H219-Y282 AromaticContact CG-CD1 3.63Å; H219-Y282 AromaticContact CG-CD2 3.97Å; H219-Y282 AromaticContact CG-CG 3.59Å; H219-Y282 AromaticContact ND1-CG 3.83Å; H219-Y282 AromaticContact NE2-CD2 3.97Å; K278-Y282 VanDerWaalsContact O-CB 3.32Å; K278-Y282 WeakPolarHBondContact O-CB 3.36Å; K278-Y282 PolarHBondContact O-N 2.94Å; G279-Y282 PolarHBondContact O-N 3.3Å; V280-Y282 PolarHBondContact O-N 3.04Å; Y282-V287 HydrophobicContact CE2-CG2 4.07Å; Y282-K294 HydrophobicContact CE1-CD 3.84Å; Y282-K294 WeakPolarHBondContact O-CE 3.4Å; Y282-K294 PolarHBondContact O-NZ 3.49Å
283	L	98	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-44.3	176.6	-166.6	66.9	0	0	0	111.2	M217 M222 G279 V280 A281 K294 V297 H299 F320	M217-L283 HydrophobicContact CE-CD1 3.83Å; M217-L283 HydrophobicContact SD-CD1 4.44Å; M222-L283 HydrophobicContact CE-CB 4.04Å; M222-L283 HydrophobicContact CE-CD1 4.44Å; M222-L283 HydrophobicContact SD-CD1 4.28Å; G279-L283 PolarHBondContact O-N 3.2Å; V280-L283 WeakPolarHBondContact O-CB 3.44Å; V280-L283 PolarHBondContact O-N 2.81Å; A281-L283 VanDerWaalsContact C-N 3.35Å; A281-L283 PolarHBondContact O-N 2.93Å; L283-K294 PolarHBondContact O-NZ 2.93Å; L283-V297 CarbonylContact C-O 3.45Å; L283-V297 HydrophobicContact CD1-CB 3.85Å; L283-V297 HydrophobicContact CD1-CG1 3.88Å; L283-V297 HydrophobicContact CD2-CG1 4.49Å; L283-V297 HydrophobicContact CG-CB 3.97Å; L283-V297 HydrophobicContact CG-CG1 4.08Å; L283-V297 PolarHBondContact O-N 3.06Å; L283-H299 HydrophobicContact CD2-CB 3.81Å; L283-F320 HydrophobicContact CD1-CD1 4.37Å; L283-F320 HydrophobicContact CD1-CE1 3.85Å; L283-F320 HydrophobicContact CD2-CE1 4.04Å
284	H	97.9	Very high	96.4	Very high	16 Å²	16	46.1 Å²	46.1	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-72.4	-25.1	179.3	-73.3	-167.9	0	0	0	114.5	V280 A281 A296 V297 K368 D371	V280-H284 WeakPolarHBondContact O-CB 3.49Å; V280-H284 PolarHBondContact O-N 3.19Å; A281-H284 PolarHBondContact O-N 3.29Å; H284-A296 VanDerWaalsContact O-CB 3.22Å; H284-A296 WeakPolarHBondContact O-CB 3.17Å; H284-V297 PolarHBondContact CD2-O 3.08Å; H284-V297 VanDerWaalsContact CD2-O 3.3Å; H284-K368 HydrophobicContact CB-CD 4.41Å; H284-K368 HydrophobicContact CB-CG 4.43Å; H284-K368 PolarHBondContact CE1-O 2.81Å; H284-K368 VanDerWaalsContact CE1-O 3.27Å; H284-K368 WeakPolarHBondContact O-CE 3.22Å; H284-K368 PolarHBondContact O-NZ 3.21Å; H284-K368 VanDerWaalsContact O-NZ 3.1Å; H284-D371 IonicContact CD2-OD2 2.65Å; H284-D371 IonicContact CE1-OD2 2.72Å; H284-D371 WeakPolarHBondContact NE2-CB 3.46Å; H284-D371 IonicContact NE2-OD2 3.16Å; H284-D371 PolarHBondContact NE2-OD2 3.37Å
285	A	96.6	Very high	96.2	Very high	38 Å²	38	45.2 Å²	45.2	31%	0.314	26%	0.259	S	S	.	.	S	Bend	trans	-73.9	146.3	-179.3	0	0	0	0	0	112.6	A281 V287 K294	A281-A285 WeakPolarHBondContact O-CB 3.46Å; A281-A285 PolarHBondContact O-N 2.8Å; A285-V287 HydrophobicContact CB-CG2 4.33Å; A285-K294 PolarHBondContact O-NZ 2.9Å
286	E	94.8	Very high	96.1	Very high	106 Å²	106	44.9 Å²	44.9	50%	0.495	26%	0.257	S	S	.	.			trans	-86.1	138.1	160.8	-63.1	-171.2	158.3	0	0	108.7	Y293 K294 A296	E286-Y293 HydrophobicContact CB-CE2 4.18Å; E286-Y293 PolarHBondContact OE1-OH 2.89Å; E286-Y293 VanDerWaalsContact OE1-OH 3.09Å; E286-Y293 PolarHBondContact OE2-OH 2.98Å; E286-K294 WeakPolarHBondContact CA-O 3.47Å; E286-A296 HydrophobicContact CG-CB 3.87Å
287	V	95.1	Very high	96	Very high	40 Å²	40	44.8 Å²	44.8	24%	0.242	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.4	-176.8	-170.2	0	0	0	0	109.7	L216 Y282 A285 K294	L216-V287 HydrophobicContact CD1-CB 4.22Å; L216-V287 HydrophobicContact CD1-CG1 3.86Å; Y282-V287 HydrophobicContact CE2-CG2 4.07Å; A285-V287 HydrophobicContact CB-CG2 4.33Å; V287-K294 HydrophobicContact CB-CB 4.18Å; V287-K294 HydrophobicContact CB-CD 4.42Å; V287-K294 HydrophobicContact CG2-CD 4.14Å; V287-K294 PolarHBondContact N-O 2.91Å; V287-K294 PolarHBondContact O-N 2.9Å
288	S	94.3	Very high	95.9	Very high	89 Å²	89	44.8 Å²	44.8	62%	0.622	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.2	176.5	-52.5	0	0	0	0	110.3	L292	S288-L292 CarbonylContact C-O 3.54Å; S288-L292 WeakPolarHBondContact CA-O 3.44Å
289	D	93.1	Very high	95.8	Very high	110 Å²	110	41.6 Å²	41.6	59%	0.588	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	101.4	174.8	-175.1	18.9	0	0	0	109.6	L216 D291 L292	L216-D289 HydrophobicContact CD1-CB 3.85Å; L216-D289 HydrophobicContact CD2-CB 4.08Å; D289-D291 PolarHBondContact O-N 2.92Å; D289-L292 PolarHBondContact N-O 2.9Å; D289-L292 WeakPolarHBondContact O-CB 3.43Å; D289-L292 PolarHBondContact O-N 3.2Å
290	G	93.4	Very high	95.6	Very high	73 Å²	73	43 Å²	43	75%	0.753	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	-127.5	-168.3	0	0	0	0	0	111.7	L292	G290-L292 VanDerWaalsContact C-N 3.26Å; G290-L292 PolarHBondContact O-N 3.28Å
291	D	91.5	Very high	95.5	Very high	178 Å²	178	43.9 Å²	43.9	95%	0.952	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-2.7	176.1	-55.5	-54	0	0	0	113.4	D289	D289-D291 PolarHBondContact O-N 2.92Å
292	L	93	Very high	95.4	Very high	88 Å²	88	43.6 Å²	43.6	46%	0.461	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.4	179.6	-57.6	-179	0	0	0	110.9	P215 L216 S288 D289 G290	P215-L292 HydrophobicContact CB-CB 4.13Å; P215-L292 HydrophobicContact CB-CD2 4.36Å; L216-L292 HydrophobicContact CD1-CB 4.34Å; L216-L292 HydrophobicContact CD2-CB 4.01Å; L216-L292 HydrophobicContact CD2-CD1 3.84Å; L216-L292 HydrophobicContact CG-CB 4.09Å; S288-L292 CarbonylContact C-O 3.54Å; S288-L292 WeakPolarHBondContact CA-O 3.44Å; D289-L292 PolarHBondContact N-O 2.9Å; D289-L292 WeakPolarHBondContact O-CB 3.43Å; D289-L292 PolarHBondContact O-N 3.2Å; G290-L292 VanDerWaalsContact C-N 3.26Å; G290-L292 PolarHBondContact O-N 3.28Å
293	Y	93.3	Very high	95.4	Very high	73 Å²	73	41.4 Å²	41.4	29%	0.286	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.6	178.1	175.9	-117.1	0	0	0	111.8	P215 E286 P295	P215-Y293 WeakPolarHBondContact CB-O 3.46Å; P215-Y293 WeakPolarHBondContact CG-O 3.33Å; E286-Y293 HydrophobicContact CB-CE2 4.18Å; E286-Y293 PolarHBondContact OE1-OH 2.89Å; E286-Y293 VanDerWaalsContact OE1-OH 3.09Å; E286-Y293 PolarHBondContact OE2-OH 2.98Å; Y293-P295 HydrophobicContact CE1-CB 3.82Å; Y293-P295 HydrophobicContact CE1-CG 4.41Å
294	K	95.6	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109	169.8	-177.6	-151.7	160	-68.7	0	108.7	P215 L216 M217 Y282 L283 A285 E286 V287	P215-K294 WeakPolarHBondContact O-CB 3.26Å; L216-K294 HydrophobicContact CB-CB 4.13Å; M217-K294 HydrophobicContact SD-CD 4.13Å; M217-K294 VanDerWaalsContact SD-CE 3.6Å; M217-K294 HydrophobicContact SD-CG 4.18Å; Y282-K294 HydrophobicContact CE1-CD 3.84Å; Y282-K294 WeakPolarHBondContact O-CE 3.4Å; Y282-K294 PolarHBondContact O-NZ 3.49Å; L283-K294 PolarHBondContact O-NZ 2.93Å; A285-K294 PolarHBondContact O-NZ 2.9Å; E286-K294 WeakPolarHBondContact CA-O 3.47Å; V287-K294 HydrophobicContact CB-CB 4.18Å; V287-K294 HydrophobicContact CB-CD 4.42Å; V287-K294 HydrophobicContact CG2-CD 4.14Å; V287-K294 PolarHBondContact N-O 2.91Å; V287-K294 PolarHBondContact O-N 2.9Å
295	P	95.4	Very high	95.3	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.039	26%	0.255	C	S	.	.			trans	-66.3	162.7	171.1	27.1	-35	0	0	0	112.4	L214 Y293 I325 E327	L214-P295 HydrophobicContact CD1-CG 4.23Å; Y293-P295 HydrophobicContact CE1-CB 3.82Å; Y293-P295 HydrophobicContact CE1-CG 4.41Å; P295-I325 HydrophobicContact CB-CG2 3.83Å; P295-I325 HydrophobicContact CG-CG2 3.44Å; P295-I325 VanDerWaalsContact CG-CG2 3.44Å; P295-E327 HydrophobicContact CB-CB 4.07Å
296	A	95.7	Very high	95.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.			trans	-64.7	139.4	170.8	0	0	0	0	0	110.9	H284 E286 L326	H284-A296 VanDerWaalsContact O-CB 3.22Å; H284-A296 WeakPolarHBondContact O-CB 3.17Å; E286-A296 HydrophobicContact CG-CB 3.87Å; A296-L326 HydrophobicContact CB-CB 4.38Å; A296-L326 HydrophobicContact CB-CD1 3.97Å; A296-L326 PolarHBondContact O-N 2.86Å
297	V	96.2	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.8	178.9	176.9	0	0	0	0	109	V211 L214 L283 H284 A323 V324 I325	V211-V297 HydrophobicContact CG1-CG1 4.07Å; L214-V297 HydrophobicContact CD1-CG2 4.1Å; L283-V297 CarbonylContact C-O 3.45Å; L283-V297 HydrophobicContact CD1-CB 3.85Å; L283-V297 HydrophobicContact CD1-CG1 3.88Å; L283-V297 HydrophobicContact CD2-CG1 4.49Å; L283-V297 HydrophobicContact CG-CB 3.97Å; L283-V297 HydrophobicContact CG-CG1 4.08Å; L283-V297 PolarHBondContact O-N 3.06Å; H284-V297 PolarHBondContact CD2-O 3.08Å; H284-V297 VanDerWaalsContact CD2-O 3.3Å; V297-A323 HydrophobicContact CG1-CB 3.97Å; V297-V324 WeakPolarHBondContact CA-O 3.41Å; V297-I325 HydrophobicContact CG2-CG1 4.28Å
298	A	96	Very high	95.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.4	165.9	0	0	0	0	0	109.9	R300 A323 V324 L326 L367 D371	A298-R300 HydrophobicContact CB-CG 4.35Å; A298-A323 CarbonylContact O-C 3.59Å; A298-A323 WeakPolarHBondContact O-CA 3.43Å; A298-A323 WeakPolarHBondContact O-CB 3.37Å; A298-V324 PolarHBondContact N-O 3.47Å; A298-V324 PolarHBondContact O-N 3Å; A298-L326 HydrophobicContact CB-CD1 4.2Å; A298-L326 HydrophobicContact CB-CD2 3.94Å; A298-L326 HydrophobicContact CB-CG 4.45Å; A298-L367 HydrophobicContact CB-CB 3.65Å; A298-D371 WeakPolarHBondContact CA-OD2 3.5Å
299	H	96.7	Very high	95.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.			trans	-83.9	-41	-173.2	-164.2	-58.8	0	0	0	113.2	L283 D301 I302 I317 C318 D319 F320 F322 A323 D371	L283-H299 HydrophobicContact CD2-CB 3.81Å; H299-D301 PolarHBondContact O-N 3.43Å; H299-D301 VanDerWaalsContact O-N 3.17Å; H299-I302 HydrophobicContact CB-CD1 3.66Å; H299-I302 HydrophobicContact CB-CG1 3.93Å; H299-I317 VanDerWaalsContact CD2-CG2 3.41Å; H299-I317 WeakPolarHBondContact CD2-CG2 3.5Å; H299-I317 WeakPolarHBondContact NE2-CG2 3.16Å; H299-C318 PolarHBondContact CE1-O 2.98Å; H299-C318 PolarHBondContact NE2-O 3.02Å; H299-C318 VanDerWaalsContact NE2-O 3.11Å; H299-D319 PolarHBondContact CE1-O 3.16Å; H299-F320 AromaticContact CD2-CD1 3.93Å; H299-F320 AromaticContact CD2-CE1 3.76Å; H299-F320 AromaticContact NE2-CE1 3.99Å; H299-F322 CarbonylContact O-C 3.58Å; H299-A323 PolarHBondContact O-N 2.67Å; H299-D371 PolarHBondContact N-OD1 2.88Å; H299-D371 PolarHBondContact N-OD2 2.9Å
300	R	95	Very high	96.2	Very high	28 Å²	28	30.7 Å²	30.7	11%	0.106	17%	0.165	C	C	.	.	S	Bend	trans	63.5	12.8	177.4	-55.5	165.7	63.8	-128.7	3.1	115.5	A298 F322 S339 L340 V343 G344 L367 D371	A298-R300 HydrophobicContact CB-CG 4.35Å; R300-F322 PolarHBondContact NH1-O 3.32Å; R300-S339 PolarHBondContact NH2-O 3.13Å; R300-L340 VanDerWaalsContact NH2-CA 3.28Å; R300-L340 PolarHBondContact NH2-O 2.99Å; R300-V343 HydrophobicContact CB-CG2 4.43Å; R300-V343 VanDerWaalsContact CZ-CG2 3.43Å; R300-V343 VanDerWaalsContact NH2-CG2 3.26Å; R300-G344 WeakPolarHBondContact O-CA 3.27Å; R300-L367 HydrophobicContact CG-CD2 4.13Å; R300-D371 PolarHBondContact N-OD1 2.84Å
301	D	95.7	Very high	96.4	Very high	19 Å²	19	33.9 Å²	33.9	10%	0.102	16%	0.164	C	C	.	.			trans	-155.4	43.8	169.5	-165.6	29.8	0	0	0	111.2	H299 N303 N306 F322 T345	H299-D301 PolarHBondContact O-N 3.43Å; H299-D301 VanDerWaalsContact O-N 3.17Å; D301-N303 PolarHBondContact O-N 2.69Å; D301-N303 PolarHBondContact O-ND2 3.41Å; D301-N303 PolarHBondContact OD1-ND2 2.92Å; D301-N306 PolarHBondContact O-ND2 2.77Å; D301-N306 PolarHBondContact OD2-ND2 3.41Å; D301-F322 HydrophobicContact CB-CD2 4.26Å; D301-T345 VanDerWaalsContact OD1-CB 3.29Å; D301-T345 WeakPolarHBondContact OD1-CB 3.4Å; D301-T345 PolarHBondContact OD1-N 2.97Å; D301-T345 PolarHBondContact OD1-OG1 2.98Å
302	I	98.3	Very high	96.6	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	15%	0.146	C	C	.	.			trans	-62.3	122.7	169.5	-63	-61.6	0	0	0	108.5	V280 H299 I317 D371 A374 V378	V280-I302 HydrophobicContact CG2-CD1 4.1Å; H299-I302 HydrophobicContact CB-CD1 3.66Å; H299-I302 HydrophobicContact CB-CG1 3.93Å; I302-I317 HydrophobicContact CD1-CD1 4.33Å; I302-I317 HydrophobicContact CD1-CG2 4.27Å; I302-D371 HydrophobicContact CG1-CB 4.06Å; I302-A374 HydrophobicContact CB-CB 3.83Å; I302-A374 HydrophobicContact CG2-CB 4.14Å; I302-A374 WeakPolarHBondContact O-CB 3.43Å; I302-V378 HydrophobicContact CG2-CG2 4.22Å
303	N	97.8	Very high	96.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.134	C	C	.	.	S	Bend	trans	-162.8	165.2	171.7	66.4	87.9	0	0	0	109	D301 R305 N306 Y348	D301-N303 PolarHBondContact O-N 2.69Å; D301-N303 PolarHBondContact O-ND2 3.41Å; D301-N303 PolarHBondContact OD1-ND2 2.92Å; N303-R305 PolarHBondContact O-N 3.43Å; N303-R305 VanDerWaalsContact O-N 3.09Å; N303-R305 VanDerWaalsContact OD1-CB 3.29Å; N303-R305 WeakPolarHBondContact OD1-CB 3.45Å; N303-R305 PolarHBondContact OD1-N 3.12Å; N303-N306 PolarHBondContact ND2-ND2 3.1Å; N303-N306 PolarHBondContact O-N 3.31Å; N303-Y348 HydrophobicContact CB-CD1 3.86Å; N303-Y348 HydrophobicContact CB-CD2 3.62Å; N303-Y348 HydrophobicContact CB-CE1 3.82Å; N303-Y348 HydrophobicContact CB-CE2 3.58Å; N303-Y348 HydrophobicContact CB-CG 3.77Å
304	S	98.1	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.2	-174.3	57.4	0	0	0	0	115.3	L255 T256 Y348 E381 Y400	L255-S304 WeakPolarHBondContact CA-O 3.41Å; L255-S304 WeakPolarHBondContact CB-O 3.44Å; L255-S304 PolarHBondContact N-O 3.15Å; L255-S304 VanDerWaalsContact N-O 3.13Å; T256-S304 PolarHBondContact N-O 3.46Å; T256-S304 WeakPolarHBondContact OG1-CB 3.36Å; T256-S304 PolarHBondContact OG1-O 3.11Å; T256-S304 PolarHBondContact OG1-OG 3.05Å; S304-Y348 PolarHBondContact OG-OH 3.48Å; S304-E381 VanDerWaalsContact CB-OE2 3.22Å; S304-E381 WeakPolarHBondContact CB-OE2 3.24Å; S304-E381 VanDerWaalsContact OG-CD 3.3Å; S304-E381 PolarHBondContact OG-OE1 2.8Å; S304-E381 PolarHBondContact OG-OE2 3.08Å; S304-Y400 PolarHBondContact OG-OH 3.47Å
305	R	96.6	Very high	97.2	Very high	96 Å²	96	25.3 Å²	25.3	36%	0.362	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-28.5	170.8	-58.3	175.8	-66.4	-155.5	2.5	112.7	T256 N303 V307	T256-R305 HydrophobicContact CG2-CG 4.26Å; T256-R305 WeakPolarHBondContact OG1-CG 3.43Å; T256-R305 PolarHBondContact OG1-N 2.81Å; N303-R305 PolarHBondContact O-N 3.43Å; N303-R305 VanDerWaalsContact O-N 3.09Å; N303-R305 VanDerWaalsContact OD1-CB 3.29Å; N303-R305 WeakPolarHBondContact OD1-CB 3.45Å; N303-R305 PolarHBondContact OD1-N 3.12Å; R305-V307 PolarHBondContact O-N 2.72Å
306	N	97.6	Very high	97.3	Very high	13 Å²	13	25 Å²	25	7%	0.07	13%	0.128	C	C	.	.	S	Bend	trans	-89.6	13.8	177.7	-66.4	-4.2	0	0	0	112.1	D301 N303 C318 D319	D301-N306 PolarHBondContact O-ND2 2.77Å; D301-N306 PolarHBondContact OD2-ND2 3.41Å; N303-N306 PolarHBondContact ND2-ND2 3.1Å; N303-N306 PolarHBondContact O-N 3.31Å; N306-C318 WeakPolarHBondContact CB-O 3.35Å; N306-C318 PolarHBondContact O-N 2.83Å; N306-C318 PolarHBondContact O-SG 2.91Å; N306-D319 HydrophobicContact CB-CB 4.49Å
307	V	98.6	Very high	97.4	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.2	169.4	177.3	0	0	0	0	107.6	S254 L255 V276 R305 C315	S254-V307 CarbonylContact C-O 3.6Å; S254-V307 VanDerWaalsContact CA-O 3.27Å; S254-V307 WeakPolarHBondContact CA-O 3.47Å; L255-V307 HydrophobicContact CB-CB 3.99Å; L255-V307 HydrophobicContact CB-CG1 3.96Å; L255-V307 HydrophobicContact CD2-CB 4.3Å; L255-V307 HydrophobicContact CD2-CG1 4.03Å; L255-V307 PolarHBondContact N-O 2.92Å; V276-V307 HydrophobicContact CG1-CG2 4.28Å; V276-V307 HydrophobicContact CG2-CG1 3.68Å; V276-V307 HydrophobicContact CG2-CG2 4.4Å; R305-V307 PolarHBondContact O-N 2.72Å; V307-C315 HydrophobicContact CG1-CB 3.69Å
308	L	98.5	Very high	97.5	Very high	33 Å²	33	26 Å²	26	17%	0.173	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.3	176.9	-59.1	177.8	0	0	0	110.6	V223 L250 G253 C315 A316 C318	V223-L308 HydrophobicContact CG2-CD1 4.17Å; L250-L308 HydrophobicContact CB-CB 4.34Å; L250-L308 HydrophobicContact CD1-CB 3.65Å; L250-L308 HydrophobicContact CD1-CD1 4.08Å; G253-L308 WeakPolarHBondContact O-CA 3.37Å; L308-C315 CarbonylContact O-C 3.58Å; L308-C315 VanDerWaalsContact O-CA 3.32Å; L308-C315 WeakPolarHBondContact O-CA 3.2Å; L308-A316 PolarHBondContact N-O 3.24Å; L308-A316 PolarHBondContact O-N 3.15Å; L308-C318 HydrophobicContact CD1-CB 4.19Å; L308-C318 HydrophobicContact CG-CB 4.42Å
309	V	98.7	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.4	179.1	-177.2	0	0	0	0	110.6	N252 G253 L255 Y258 L272	N252-V309 HydrophobicContact CB-CB 3.92Å; N252-V309 HydrophobicContact CB-CG1 4.1Å; G253-V309 PolarHBondContact O-N 2.94Å; G253-V309 VanDerWaalsContact O-N 3.1Å; L255-V309 HydrophobicContact CB-CG2 4.21Å; L255-V309 HydrophobicContact CD1-CG2 3.85Å; Y258-V309 HydrophobicContact CD1-CG1 4.32Å; Y258-V309 HydrophobicContact CD1-CG2 4.12Å; Y258-V309 HydrophobicContact CD2-CB 4.29Å; Y258-V309 HydrophobicContact CD2-CG1 4.07Å; Y258-V309 HydrophobicContact CD2-CG2 4.44Å; Y258-V309 HydrophobicContact CE1-CG1 4.36Å; Y258-V309 HydrophobicContact CE2-CG1 4.11Å; Y258-V309 HydrophobicContact CG-CB 4.22Å; Y258-V309 HydrophobicContact CG-CG1 4.17Å; Y258-V309 HydrophobicContact CG-CG2 3.87Å; L272-V309 HydrophobicContact CD2-CG1 3.97Å; L272-V309 HydrophobicContact CD2-CG2 4.13Å
310	K	98.2	Very high	97.4	Very high	31 Å²	31	27.2 Å²	27.2	14%	0.135	14%	0.141	C	C	.	.			trans	-91.8	166.1	178.5	-65	-168	169.8	-177.5	0	111.8	E220 E248 L250 N252 D312 G313 T314	E220-K310 PolarHBondContact O-NZ 3.21Å; E248-K310 IonicContact OE1-NZ 3.44Å; L250-K310 HydrophobicContact CD1-CG 3.89Å; L250-K310 HydrophobicContact CD2-CG 4.03Å; N252-K310 PolarHBondContact ND2-O 3.31Å; K310-D312 VanDerWaalsContact CB-OD1 3.25Å; K310-D312 WeakPolarHBondContact CB-OD1 3.43Å; K310-D312 PolarHBondContact O-N 3.15Å; K310-G313 PolarHBondContact O-N 3.08Å; K310-T314 WeakPolarHBondContact CB-O 3.39Å; K310-T314 PolarHBondContact N-O 3.39Å
311	L	97	Very high	97.3	Very high	140 Å²	140	26.1 Å²	26.1	73%	0.733	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.3	179.9	-74.4	173	0	0	0	113.9	P251	P251-L311 HydrophobicContact CG-CD1 4.19Å; P251-L311 HydrophobicContact CG-CD2 3.64Å; P251-L311 HydrophobicContact CG-CG 3.87Å
312	D	96.8	Very high	97.1	Very high	108 Å²	108	25.9 Å²	25.9	58%	0.578	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.5	176.9	55.9	19	0	0	0	113.7	K310 T314	K310-D312 VanDerWaalsContact CB-OD1 3.25Å; K310-D312 WeakPolarHBondContact CB-OD1 3.43Å; K310-D312 PolarHBondContact O-N 3.15Å; D312-T314 WeakPolarHBondContact OD1-CB 3.37Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.35Å; D312-T314 PolarHBondContact OD1-N 3.41Å; D312-T314 PolarHBondContact OD1-OG1 3.06Å; D312-T314 PolarHBondContact OD2-OG1 3.43Å
313	G	96.5	Very high	96.9	Very high	19 Å²	19	25.7 Å²	25.7	20%	0.196	14%	0.135	C	C	.	.	S	Bend	trans	83.1	8.6	-175.7	0	0	0	0	0	114.8	L272 K310	L272-G313 WeakPolarHBondContact CD2-O 3.38Å; K310-G313 PolarHBondContact O-N 3.08Å
314	T	98.2	Very high	96.7	Very high	33 Å²	33	26.5 Å²	26.5	20%	0.202	14%	0.14	C	C	.	.			trans	-90.9	165.7	169.7	69.6	0	0	0	0	111.9	K310 D312	K310-T314 WeakPolarHBondContact CB-O 3.39Å; K310-T314 PolarHBondContact N-O 3.39Å; D312-T314 WeakPolarHBondContact OD1-CB 3.37Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.35Å; D312-T314 PolarHBondContact OD1-N 3.41Å; D312-T314 PolarHBondContact OD1-OG1 3.06Å; D312-T314 PolarHBondContact OD2-OG1 3.43Å
315	C	98.7	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	157	177.9	-72.8	0	0	0	0	113.1	N221 L272 S275 V276 V307 L308	N221-C315 WeakPolarHBondContact CA-O 3.46Å; N221-C315 WeakPolarHBondContact CB-O 3.44Å; N221-C315 PolarHBondContact ND2-O 3.01Å; L272-C315 WeakPolarHBondContact CD2-SG 3.34Å; S275-C315 WeakPolarHBondContact OG-CB 3.13Å; S275-C315 PolarHBondContact OG-N 3.25Å; V276-C315 HydrophobicContact CG2-CB 3.48Å; V276-C315 VanDerWaalsContact CG2-CB 3.48Å; V276-C315 VanDerWaalsContact CG2-SG 3.58Å; V307-C315 HydrophobicContact CG1-CB 3.69Å; L308-C315 CarbonylContact O-C 3.58Å; L308-C315 VanDerWaalsContact O-CA 3.32Å; L308-C315 WeakPolarHBondContact O-CA 3.2Å
316	A	98.6	Very high	96.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.5	162.7	0	0	0	0	0	112	N221 L250 L308	N221-A316 WeakPolarHBondContact O-CA 3.41Å; L250-A316 HydrophobicContact CD1-CB 4.23Å; L308-A316 PolarHBondContact N-O 3.24Å; L308-A316 PolarHBondContact O-N 3.15Å
317	I	98.7	Very high	95.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.3	178.6	-57.5	-176.9	0	0	0	110.6	N221 M222 V223 V280 H299 I302 F320	N221-I317 PolarHBondContact O-N 3.15Å; M222-I317 HydrophobicContact CE-CB 4.11Å; M222-I317 HydrophobicContact CE-CD1 4.06Å; M222-I317 HydrophobicContact CE-CG1 4.34Å; M222-I317 HydrophobicContact SD-CB 4.31Å; V223-I317 PolarHBondContact N-O 2.99Å; V280-I317 HydrophobicContact CB-CD1 4.49Å; V280-I317 HydrophobicContact CG2-CD1 3.63Å; H299-I317 VanDerWaalsContact CD2-CG2 3.41Å; H299-I317 WeakPolarHBondContact CD2-CG2 3.5Å; H299-I317 WeakPolarHBondContact NE2-CG2 3.16Å; I302-I317 HydrophobicContact CD1-CD1 4.33Å; I302-I317 HydrophobicContact CD1-CG2 4.27Å; I317-F320 HydrophobicContact CB-CZ 4.46Å; I317-F320 HydrophobicContact CG2-CE1 4.22Å; I317-F320 HydrophobicContact CG2-CZ 4.09Å
318	C	97.1	Very high	93.5	Very high	20 Å²	20	27.9 Å²	27.9	14%	0.135	15%	0.153	C	C	.	.			trans	-142.4	173	179.1	69.5	0	0	0	0	112.6	V223 H299 N306 L308	V223-C318 HydrophobicContact CB-CB 4.04Å; V223-C318 HydrophobicContact CG1-CB 3.74Å; H299-C318 PolarHBondContact CE1-O 2.98Å; H299-C318 PolarHBondContact NE2-O 3.02Å; H299-C318 VanDerWaalsContact NE2-O 3.11Å; N306-C318 WeakPolarHBondContact CB-O 3.35Å; N306-C318 PolarHBondContact O-N 2.83Å; N306-C318 PolarHBondContact O-SG 2.91Å; L308-C318 HydrophobicContact CD1-CB 4.19Å; L308-C318 HydrophobicContact CG-CB 4.42Å
319	D	95.1	Very high	91.8	Very high	26 Å²	26	27.6 Å²	27.6	14%	0.139	15%	0.152	C	C	.	.			trans	72.1	59.7	-179	-143.1	-33.7	0	0	0	116.1	K195 E208 H299 N306 A321	K195-D319 IonicContact NZ-OD1 3.92Å; K195-D319 PolarHBondContact NZ-OD1 3.35Å; K195-D319 IonicContact NZ-OD2 2.91Å; K195-D319 PolarHBondContact NZ-OD2 2.78Å; E208-D319 WeakPolarHBondContact OE1-CA 3.35Å; H299-D319 PolarHBondContact CE1-O 3.16Å; N306-D319 HydrophobicContact CB-CB 4.49Å; D319-A321 PolarHBondContact O-N 3.47Å; D319-A321 WeakPolarHBondContact OD1-CB 3.25Å
320	F	95.4	Very high	89.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-76.8	20.2	176.8	-52.4	-84.3	0	0	0	113.7	N207 E208 V211 L212 M222 V223 L283 H299 I317 F322 A323	N207-F320 PolarHBondContact ND2-O 3.49Å; E208-F320 HydrophobicContact CB-CB 4.49Å; E208-F320 HydrophobicContact CG-CB 4.05Å; V211-F320 HydrophobicContact CB-CB 4.06Å; V211-F320 HydrophobicContact CG1-CB 3.88Å; V211-F320 HydrophobicContact CG1-CD1 3.92Å; V211-F320 HydrophobicContact CG1-CG 3.95Å; L212-F320 HydrophobicContact CD1-CD2 4.28Å; L212-F320 HydrophobicContact CD2-CD2 3.71Å; L212-F320 HydrophobicContact CD2-CE2 3.61Å; L212-F320 HydrophobicContact CG-CD2 3.81Å; L212-F320 HydrophobicContact CG-CE2 4.25Å; M222-F320 HydrophobicContact SD-CE1 4.04Å; M222-F320 HydrophobicContact SD-CZ 3.58Å; M222-F320 VanDerWaalsContact SD-CZ 3.58Å; V223-F320 HydrophobicContact CG1-CE2 4.25Å; L283-F320 HydrophobicContact CD1-CD1 4.37Å; L283-F320 HydrophobicContact CD1-CE1 3.85Å; L283-F320 HydrophobicContact CD2-CE1 4.04Å; H299-F320 AromaticContact CD2-CD1 3.93Å; H299-F320 AromaticContact CD2-CE1 3.76Å; H299-F320 AromaticContact NE2-CE1 3.99Å; I317-F320 HydrophobicContact CB-CZ 4.46Å; I317-F320 HydrophobicContact CG2-CE1 4.22Å; I317-F320 HydrophobicContact CG2-CZ 4.09Å; F320-F322 PolarHBondContact O-N 3.22Å; F320-A323 HydrophobicContact CB-CB 3.89Å; F320-A323 HydrophobicContact CD1-CB 4.17Å; F320-A323 PolarHBondContact O-N 3.38Å
321	A	92.7	Very high	87.3	Confident	4 Å²	4	36.9 Å²	36.9	3%	0.033	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-60.2	-25.4	-179.3	0	0	0	0	0	114.1	D319	D319-A321 PolarHBondContact O-N 3.47Å; D319-A321 WeakPolarHBondContact OD1-CB 3.25Å
322	F	92.4	Very high	85.1	Confident	14 Å²	14	34.9 Å²	34.9	6%	0.061	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-109.3	-3.5	178.7	-59.2	-72.1	0	0	0	114	Y177 Y204 H299 R300 D301 F320 V343	Y177-F322 HydrophobicContact CD1-CZ 4.34Å; Y177-F322 HydrophobicContact CD2-CE2 4.12Å; Y177-F322 AromaticContact CD2-CZ 3.72Å; Y177-F322 HydrophobicContact CD2-CZ 3.72Å; Y177-F322 HydrophobicContact CE1-CZ 4.07Å; Y177-F322 HydrophobicContact CE2-CE1 4.46Å; Y177-F322 AromaticContact CE2-CE2 3.98Å; Y177-F322 HydrophobicContact CE2-CE2 3.98Å; Y177-F322 AromaticContact CE2-CZ 3.41Å; Y177-F322 HydrophobicContact CE2-CZ 3.41Å; Y177-F322 VanDerWaalsContact CE2-CZ 3.41Å; Y177-F322 HydrophobicContact CG-CZ 4.18Å; Y177-F322 AromaticContact CZ-CZ 3.58Å; Y204-F322 AromaticContact CD1-CE1 3.91Å; Y204-F322 HydrophobicContact CD1-CE1 3.91Å; Y204-F322 HydrophobicContact CD1-CZ 4.24Å; Y204-F322 HydrophobicContact CE1-CD1 4.27Å; Y204-F322 AromaticContact CE1-CE1 3.53Å; Y204-F322 HydrophobicContact CE1-CE1 3.53Å; Y204-F322 HydrophobicContact CE1-CZ 4.15Å; H299-F322 CarbonylContact O-C 3.58Å; R300-F322 PolarHBondContact NH1-O 3.32Å; D301-F322 HydrophobicContact CB-CD2 4.26Å; F320-F322 PolarHBondContact O-N 3.22Å; F322-V343 HydrophobicContact CB-CG2 4.01Å; F322-V343 HydrophobicContact CD1-CB 3.71Å; F322-V343 HydrophobicContact CD1-CG1 4.01Å; F322-V343 HydrophobicContact CD1-CG2 3.82Å; F322-V343 HydrophobicContact CE1-CB 4.22Å; F322-V343 HydrophobicContact CE1-CG1 4.35Å; F322-V343 HydrophobicContact CG-CB 4.35Å; F322-V343 HydrophobicContact CG-CG2 4.13Å
323	A	94.3	Very high	82.4	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.008	20%	0.2	C	C	.	.			trans	-68.6	145.3	-171.2	0	0	0	0	0	112	N207 V211 V297 A298 H299 F320	N207-A323 PolarHBondContact ND2-O 3.23Å; V211-A323 HydrophobicContact CG1-CB 4.37Å; V211-A323 HydrophobicContact CG2-CB 4.17Å; V297-A323 HydrophobicContact CG1-CB 3.97Å; A298-A323 CarbonylContact O-C 3.59Å; A298-A323 WeakPolarHBondContact O-CA 3.43Å; A298-A323 WeakPolarHBondContact O-CB 3.37Å; H299-A323 PolarHBondContact O-N 2.67Å; F320-A323 HydrophobicContact CB-CB 3.89Å; F320-A323 HydrophobicContact CD1-CB 4.17Å; F320-A323 PolarHBondContact O-N 3.38Å
324	V	92.2	Very high	79.8	Confident	18 Å²	18	38.8 Å²	38.8	11%	0.109	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.6	-175.6	176.3	0	0	0	0	109.8	V297 A298 L326 L329 L340 L367	V297-V324 WeakPolarHBondContact CA-O 3.41Å; A298-V324 PolarHBondContact N-O 3.47Å; A298-V324 PolarHBondContact O-N 3Å; V324-L326 HydrophobicContact CG1-CD2 4.25Å; V324-L326 PolarHBondContact O-N 2.87Å; V324-L329 HydrophobicContact CG1-CD1 3.85Å; V324-L329 HydrophobicContact CG1-CD2 3.85Å; V324-L329 HydrophobicContact CG1-CG 4Å; V324-L340 HydrophobicContact CG2-CD2 4.49Å; V324-L367 HydrophobicContact CB-CD1 4.44Å; V324-L367 HydrophobicContact CG1-CD1 4.33Å
325	I	93.6	Very high	77.3	Confident	9 Å²	9	42.7 Å²	42.7	5%	0.046	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	113.4	173.1	-54.9	173	0	0	0	107.8	V211 L214 P295 V297 T328	V211-I325 HydrophobicContact CG2-CD1 4.48Å; V211-I325 HydrophobicContact CG2-CG1 4.17Å; L214-I325 HydrophobicContact CD1-CD1 3.86Å; L214-I325 HydrophobicContact CD1-CG1 4.08Å; L214-I325 HydrophobicContact CD2-CD1 3.96Å; L214-I325 HydrophobicContact CG-CD1 4.31Å; P295-I325 HydrophobicContact CB-CG2 3.83Å; P295-I325 HydrophobicContact CG-CG2 3.44Å; P295-I325 VanDerWaalsContact CG-CG2 3.44Å; V297-I325 HydrophobicContact CG2-CG1 4.28Å; I325-T328 HydrophobicContact CB-CG2 4.1Å; I325-T328 HydrophobicContact CG2-CG2 4.06Å; I325-T328 PolarHBondContact O-N 3.39Å; I325-T328 PolarHBondContact O-OG1 2.75Å
326	L	89	Confident	75	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-32.9	-161.3	-58.1	173.5	0	0	0	112.8	A296 A298 V324 T328 L329 E364 L367 K368	A296-L326 HydrophobicContact CB-CB 4.38Å; A296-L326 HydrophobicContact CB-CD1 3.97Å; A296-L326 PolarHBondContact O-N 2.86Å; A298-L326 HydrophobicContact CB-CD1 4.2Å; A298-L326 HydrophobicContact CB-CD2 3.94Å; A298-L326 HydrophobicContact CB-CG 4.45Å; V324-L326 HydrophobicContact CG1-CD2 4.25Å; V324-L326 PolarHBondContact O-N 2.87Å; L326-T328 PolarHBondContact O-N 3.39Å; L326-T328 VanDerWaalsContact O-N 3.15Å; L326-L329 HydrophobicContact CD2-CD1 3.81Å; L326-L329 VanDerWaalsContact O-CB 3.25Å; L326-L329 WeakPolarHBondContact O-CB 3.43Å; L326-L329 WeakPolarHBondContact O-CG 2.8Å; L326-L329 PolarHBondContact O-N 2.86Å; L326-E364 HydrophobicContact CB-CG 3.97Å; L326-E364 HydrophobicContact CD1-CG 3.7Å; L326-E364 HydrophobicContact CG-CG 4.35Å; L326-L367 HydrophobicContact CD2-CB 4.14Å; L326-L367 HydrophobicContact CD2-CD1 3.75Å; L326-K368 HydrophobicContact CD1-CD 4.27Å; L326-K368 HydrophobicContact CD1-CG 3.95Å
327	E	77.8	Confident	72.8	Confident	83 Å²	83	55.7 Å²	55.7	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-50.1	-39.1	170.4	-174.9	-169.9	-178.3	0	0	112.6	P295 L329 S330	P295-E327 HydrophobicContact CB-CB 4.07Å; E327-L329 PolarHBondContact O-N 3.44Å; E327-L329 VanDerWaalsContact O-N 3.15Å; E327-S330 PolarHBondContact O-N 3.37Å
328	T	64.9	Low	70.4	Confident	45 Å²	45	60 Å²	60	28%	0.276	32%	0.324	S	S	.	.	H	α-helix	trans	-67.7	-15.3	-178.8	71	0	0	0	0	113.4	I325 L326 H332	I325-T328 HydrophobicContact CB-CG2 4.1Å; I325-T328 HydrophobicContact CG2-CG2 4.06Å; I325-T328 PolarHBondContact O-N 3.39Å; I325-T328 PolarHBondContact O-OG1 2.75Å; L326-T328 PolarHBondContact O-N 3.39Å; L326-T328 VanDerWaalsContact O-N 3.15Å; T328-H332 PolarHBondContact O-ND1 3.42Å
329	L	62.6	Low	68.5	Low	27 Å²	27	61.9 Å²	61.9	14%	0.141	34%	0.337	C	S	.	.	H	α-helix	trans	-79.9	-35.1	177.3	-55.4	178.1	0	0	0	112	V324 L326 E327 Q331 H332 T333 P363 L367	V324-L329 HydrophobicContact CG1-CD1 3.85Å; V324-L329 HydrophobicContact CG1-CD2 3.85Å; V324-L329 HydrophobicContact CG1-CG 4Å; L326-L329 HydrophobicContact CD2-CD1 3.81Å; L326-L329 VanDerWaalsContact O-CB 3.25Å; L326-L329 WeakPolarHBondContact O-CB 3.43Å; L326-L329 WeakPolarHBondContact O-CG 2.8Å; L326-L329 PolarHBondContact O-N 2.86Å; E327-L329 PolarHBondContact O-N 3.44Å; E327-L329 VanDerWaalsContact O-N 3.15Å; L329-Q331 PolarHBondContact O-N 3.3Å; L329-H332 CarbonylContact O-C 3.45Å; L329-H332 WeakPolarHBondContact O-CA 2.97Å; L329-H332 PolarHBondContact O-N 2.57Å; L329-T333 PolarHBondContact O-N 3.11Å; L329-P363 HydrophobicContact CB-CG 4.21Å; L329-P363 HydrophobicContact CD1-CB 3.98Å; L329-P363 HydrophobicContact CD1-CG 4.16Å; L329-L367 HydrophobicContact CD1-CD1 3.73Å
330	S	53	Low	66.8	Low	78 Å²	78	62 Å²	62	55%	0.545	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-35.6	177.6	-60.8	0	0	0	0	112.1	E327 H332 T333	E327-S330 PolarHBondContact O-N 3.37Å; S330-H332 PolarHBondContact O-N 3.27Å; S330-T333 VanDerWaalsContact O-CG2 3.24Å; S330-T333 WeakPolarHBondContact O-CG2 3.22Å; S330-T333 PolarHBondContact O-OG1 3.47Å
331	Q	48.8	Very low	64.8	Low	147 Å²	147	63.5 Å²	63.5	69%	0.687	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.3	174	-58.2	-179.1	6.6	0	0	113.5	L329	L329-Q331 PolarHBondContact O-N 3.3Å
332	H	49.9	Very low	63.4	Low	98 Å²	98	69.7 Å²	69.7	45%	0.454	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	18.4	-176.3	-74.1	89.8	0	0	0	113.4	T328 L329 S330 G334 R335	T328-H332 PolarHBondContact O-ND1 3.42Å; L329-H332 CarbonylContact O-C 3.45Å; L329-H332 WeakPolarHBondContact O-CA 2.97Å; L329-H332 PolarHBondContact O-N 2.57Å; S330-H332 PolarHBondContact O-N 3.27Å; H332-G334 PolarHBondContact O-N 3.36Å; H332-R335 WeakPolarHBondContact O-CB 3.46Å; H332-R335 PolarHBondContact O-N 3.31Å
333	T	40.6	Very low	62.4	Low	124 Å²	124	70.4 Å²	70.4	76%	0.761	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-10.5	-170.4	31.5	0	0	0	0	117.4	L329 S330	L329-T333 PolarHBondContact O-N 3.11Å; S330-T333 VanDerWaalsContact O-CG2 3.24Å; S330-T333 WeakPolarHBondContact O-CG2 3.22Å; S330-T333 PolarHBondContact O-OG1 3.47Å
334	G	42	Very low	61.4	Low	86 Å²	86	71.6 Å²	71.6	89%	0.887	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-5.1	169.1	0	0	0	0	0	115.5	H332	H332-G334 PolarHBondContact O-N 3.36Å
335	R	46.2	Very low	61.2	Low	115 Å²	115	72.2 Å²	72.2	43%	0.434	40%	0.4	S	S	.	.			trans	-121.1	91.3	-160	-163.9	171.4	-165	140.7	14.2	113.5	K130 S134 H332 D337	K130-R335 PolarHBondContact O-NH2 3.38Å; S134-R335 VanDerWaalsContact CB-NH2 3.26Å; S134-R335 VanDerWaalsContact OG-CZ 3.26Å; S134-R335 PolarHBondContact OG-NH1 2.57Å; H332-R335 WeakPolarHBondContact O-CB 3.46Å; H332-R335 PolarHBondContact O-N 3.31Å; R335-D337 PolarHBondContact O-N 3.42Å
336	R	49.7	Very low	61.2	Low	227 Å²	227	74 Å²	74	86%	0.857	41%	0.411	S	S	*	.			trans	-61.4	105.5	162.6	-62.3	-176.1	-167.7	171.3	4.5	109.4	P338	R336-P338 WeakPolarHBondContact O-CD 3.47Å
337	D	53.3	Low	61.6	Low	46 Å²	46	74.3 Å²	74.3	25%	0.246	41%	0.412	C	S	.	.			trans	-93.5	110.7	166.6	-170.9	-26.7	0	0	0	108.1	R138 R335 S339 L340	R138-D337 IonicContact NH1-OD2 3.07Å; R138-D337 PolarHBondContact NH1-OD2 3.22Å; R335-D337 PolarHBondContact O-N 3.42Å; D337-S339 VanDerWaalsContact CG-OG 3.26Å; D337-S339 PolarHBondContact O-N 3.01Å; D337-S339 VanDerWaalsContact O-N 3.13Å; D337-S339 WeakPolarHBondContact OD1-CB 3.5Å; D337-S339 PolarHBondContact OD1-N 3.09Å; D337-S339 VanDerWaalsContact OD1-N 3.09Å; D337-S339 PolarHBondContact OD1-OG 2.82Å; D337-L340 HydrophobicContact CB-CD1 4.15Å; D337-L340 HydrophobicContact CB-CG 4.2Å; D337-L340 WeakPolarHBondContact O-CB 3.48Å; D337-L340 WeakPolarHBondContact O-CG 3.35Å; D337-L340 PolarHBondContact O-N 2.59Å
338	P	47.1	Very low	62.5	Low	91 Å²	91	70.8 Å²	70.8	59%	0.591	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-58.8	-26.3	-177.6	-24.7	35.3	0	0	0	113.5	R336 L340 A341	R336-P338 WeakPolarHBondContact O-CD 3.47Å; P338-L340 PolarHBondContact O-N 3.28Å; P338-L340 VanDerWaalsContact O-N 3.09Å; P338-A341 PolarHBondContact O-N 3.46Å; P338-A341 VanDerWaalsContact O-N 3.09Å
339	S	58.9	Low	64	Low	58 Å²	58	69.6 Å²	69.6	41%	0.406	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-67.5	-7.9	178.2	71.4	0	0	0	0	114	R300 D337 A341	R300-S339 PolarHBondContact NH2-O 3.13Å; D337-S339 VanDerWaalsContact CG-OG 3.26Å; D337-S339 PolarHBondContact O-N 3.01Å; D337-S339 VanDerWaalsContact O-N 3.13Å; D337-S339 WeakPolarHBondContact OD1-CB 3.5Å; D337-S339 PolarHBondContact OD1-N 3.09Å; D337-S339 VanDerWaalsContact OD1-N 3.09Å; D337-S339 PolarHBondContact OD1-OG 2.82Å; S339-A341 PolarHBondContact O-N 3.5Å
340	L	57.4	Low	65.6	Low	29 Å²	29	68.4 Å²	68.4	15%	0.152	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-65.7	-24.3	169.5	-70.7	170.1	0	0	0	112.8	R300 V324 D337 P338 L360	R300-L340 VanDerWaalsContact NH2-CA 3.28Å; R300-L340 PolarHBondContact NH2-O 2.99Å; V324-L340 HydrophobicContact CG2-CD2 4.49Å; D337-L340 HydrophobicContact CB-CD1 4.15Å; D337-L340 HydrophobicContact CB-CG 4.2Å; D337-L340 WeakPolarHBondContact O-CB 3.48Å; D337-L340 WeakPolarHBondContact O-CG 3.35Å; D337-L340 PolarHBondContact O-N 2.59Å; P338-L340 PolarHBondContact O-N 3.28Å; P338-L340 VanDerWaalsContact O-N 3.09Å; L340-L360 HydrophobicContact CB-CD2 4.49Å
341	A	55	Low	67.7	Low	31 Å²	31	64.7 Å²	64.7	26%	0.256	36%	0.355	S	S	.	.	S	Bend	trans	-108.5	-2.4	-176.9	0	0	0	0	0	115.3	P338 S339 L353	P338-A341 PolarHBondContact O-N 3.46Å; P338-A341 VanDerWaalsContact O-N 3.09Å; S339-A341 PolarHBondContact O-N 3.5Å; A341-L353 HydrophobicContact CB-CD1 4.14Å; A341-L353 VanDerWaalsContact O-CD1 3.27Å; A341-L353 WeakPolarHBondContact O-CD1 3.31Å
342	E	62.7	Low	69.8	Low	135 Å²	135	58.7 Å²	58.7	63%	0.631	33%	0.327	S	S	*	.	S	Bend	trans	-110.5	20.7	-168.6	-64.5	-176	160.1	0	0	114.8
343	V	71.9	Confident	71.8	Confident	29 Å²	29	55 Å²	55	18%	0.176	31%	0.31	C	S	.	.			trans	-131.5	162.4	-177.4	-44.8	0	0	0	0	113	R300 F322	R300-V343 HydrophobicContact CB-CG2 4.43Å; R300-V343 VanDerWaalsContact CZ-CG2 3.43Å; R300-V343 VanDerWaalsContact NH2-CG2 3.26Å; F322-V343 HydrophobicContact CB-CG2 4.01Å; F322-V343 HydrophobicContact CD1-CB 3.71Å; F322-V343 HydrophobicContact CD1-CG1 4.01Å; F322-V343 HydrophobicContact CD1-CG2 3.82Å; F322-V343 HydrophobicContact CE1-CB 4.22Å; F322-V343 HydrophobicContact CE1-CG1 4.35Å; F322-V343 HydrophobicContact CG-CB 4.35Å; F322-V343 HydrophobicContact CG-CG2 4.13Å
344	G	73	Confident	74.3	Confident	26 Å²	26	49.2 Å²	49.2	27%	0.268	28%	0.275	S	S	.	.	S	Bend	trans	110.2	168	-176.2	0	0	0	0	0	112.7	R300 V346 M349	R300-G344 WeakPolarHBondContact O-CA 3.27Å; G344-V346 PolarHBondContact O-N 3.1Å; G344-M349 WeakPolarHBondContact O-CE 3.42Å
345	T	88.5	Confident	76.6	Confident	30 Å²	30	50.7 Å²	50.7	18%	0.184	26%	0.258	C	S	.	.			trans	-76.5	116	175.5	-62.2	0	0	0	0	110.1	D301 R347 Y348 M349	D301-T345 VanDerWaalsContact OD1-CB 3.29Å; D301-T345 WeakPolarHBondContact OD1-CB 3.4Å; D301-T345 PolarHBondContact OD1-N 2.97Å; D301-T345 PolarHBondContact OD1-OG1 2.98Å; T345-R347 HydrophobicContact CG2-CB 4.4Å; T345-R347 PolarHBondContact O-N 2.95Å; T345-Y348 HydrophobicContact CG2-CD2 3.77Å; T345-Y348 HydrophobicContact CG2-CE2 4.28Å; T345-Y348 PolarHBondContact O-N 3.35Å; T345-M349 PolarHBondContact O-N 3.48Å
346	V	93.5	Very high	78.5	Confident	46 Å²	46	48.1 Å²	48.1	28%	0.279	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-50.2	-36.9	-172.1	-169.6	0	0	0	0	114.1	G344 Y348 M349 L354 L414 M417	G344-V346 PolarHBondContact O-N 3.1Å; V346-Y348 VanDerWaalsContact C-N 3.25Å; V346-Y348 PolarHBondContact O-N 3.07Å; V346-M349 HydrophobicContact CB-SD 4.45Å; V346-M349 HydrophobicContact CG1-SD 4.36Å; V346-M349 HydrophobicContact CG2-CE 4.27Å; V346-M349 PolarHBondContact O-N 3.37Å; V346-L354 HydrophobicContact CG1-CD2 4.32Å; V346-L414 HydrophobicContact CG1-CD1 4.39Å; V346-M417 HydrophobicContact CG1-CB 4.3Å; V346-M417 HydrophobicContact CG1-CG 3.93Å
347	R	96.8	Very high	80.1	Confident	10 Å²	10	40.4 Å²	40.4	4%	0.038	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.5	-28.1	176.1	-175.6	-177.7	-68	-72.5	-0.5	114.4	T345 P403 Y404 V408 S409 A410 P412 M417	T345-R347 HydrophobicContact CG2-CB 4.4Å; T345-R347 PolarHBondContact O-N 2.95Å; R347-P403 WeakPolarHBondContact CD-O 3.31Å; R347-P403 WeakPolarHBondContact CG-O 3.47Å; R347-P403 PolarHBondContact NH1-O 3.1Å; R347-Y404 HydrophobicContact CG-CD2 4.43Å; R347-V408 VanDerWaalsContact NH1-CG2 3.31Å; R347-S409 PolarHBondContact NH2-O 3.44Å; R347-A410 VanDerWaalsContact NH2-C 3.32Å; R347-A410 PolarHBondContact NH2-O 3.11Å; R347-P412 HydrophobicContact CB-CG 4.23Å; R347-M417 WeakPolarHBondContact O-CE 3.47Å
348	Y	97.5	Very high	81.3	Confident	9 Å²	9	39.1 Å²	39.1	4%	0.035	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-105.6	2	-176.1	-65.4	-99.3	0	0	0	113.1	N303 S304 T345 V346 Y373 L377 V378 E381 L402 P403	N303-Y348 HydrophobicContact CB-CD1 3.86Å; N303-Y348 HydrophobicContact CB-CD2 3.62Å; N303-Y348 HydrophobicContact CB-CE1 3.82Å; N303-Y348 HydrophobicContact CB-CE2 3.58Å; N303-Y348 HydrophobicContact CB-CG 3.77Å; S304-Y348 PolarHBondContact OG-OH 3.48Å; T345-Y348 HydrophobicContact CG2-CD2 3.77Å; T345-Y348 HydrophobicContact CG2-CE2 4.28Å; T345-Y348 PolarHBondContact O-N 3.35Å; V346-Y348 VanDerWaalsContact C-N 3.25Å; V346-Y348 PolarHBondContact O-N 3.07Å; Y348-Y373 WeakPolarHBondContact O-CD1 3.15Å; Y348-Y373 WeakPolarHBondContact O-CE1 3.38Å; Y348-L377 HydrophobicContact CD1-CB 3.95Å; Y348-L377 HydrophobicContact CD1-CD1 3.97Å; Y348-L377 HydrophobicContact CE1-CB 4.1Å; Y348-L377 HydrophobicContact CG-CD1 4.38Å; Y348-V378 HydrophobicContact CD1-CG2 4.47Å; Y348-V378 HydrophobicContact CE1-CG2 4.02Å; Y348-E381 VanDerWaalsContact CE1-OE1 3.25Å; Y348-E381 WeakPolarHBondContact CE1-OE1 3.36Å; Y348-E381 VanDerWaalsContact CZ-OE1 3.32Å; Y348-E381 PolarHBondContact OH-OE1 2.89Å; Y348-L402 WeakPolarHBondContact OH-CD2 3.36Å; Y348-P403 HydrophobicContact CE1-CG 3.88Å; Y348-P403 WeakPolarHBondContact OH-CD 3.33Å
349	M	95.7	Very high	82.8	Confident	20 Å²	20	38.5 Å²	38.5	10%	0.099	24%	0.24	C	C	.	.			trans	-68	135.4	177.6	-68.2	-175.9	171.2	0	0	111.4	G344 T345 V346 L353 L354 Y373	G344-M349 WeakPolarHBondContact O-CE 3.42Å; T345-M349 PolarHBondContact O-N 3.48Å; V346-M349 HydrophobicContact CB-SD 4.45Å; V346-M349 HydrophobicContact CG1-SD 4.36Å; V346-M349 HydrophobicContact CG2-CE 4.27Å; V346-M349 PolarHBondContact O-N 3.37Å; M349-L353 HydrophobicContact CB-CB 4.45Å; M349-L353 HydrophobicContact CB-CD2 3.95Å; M349-L353 HydrophobicContact CB-CG 4.44Å; M349-L353 HydrophobicContact CG-CD2 3.73Å; M349-L353 HydrophobicContact CG-CG 4.43Å; M349-L353 HydrophobicContact SD-CD2 4.21Å; M349-L353 HydrophobicContact SD-CG 4.41Å; M349-L354 HydrophobicContact CB-CD2 3.7Å; M349-L354 HydrophobicContact CB-CG 3.76Å; M349-L354 HydrophobicContact CG-CD2 4.48Å; M349-L354 WeakPolarHBondContact O-CD1 3.44Å; M349-L354 HydrophobicContact SD-CD2 4.13Å; M349-Y373 VanDerWaalsContact C-CE1 3.43Å; M349-Y373 WeakPolarHBondContact O-CE1 3.4Å
350	A	96.3	Very high	83.4	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.008	24%	0.237	C	C	.	.			trans	-68.1	157	174.8	0	0	0	0	0	111.8	E352 L353 L354 L370 Y373	A350-E352 VanDerWaalsContact C-N 3.32Å; A350-E352 WeakPolarHBondContact CB-OE1 3.26Å; A350-E352 WeakPolarHBondContact CB-OE2 3.45Å; A350-E352 PolarHBondContact O-N 3.22Å; A350-L353 WeakPolarHBondContact O-CB 3.41Å; A350-L353 PolarHBondContact O-N 3.13Å; A350-L354 PolarHBondContact O-N 3.48Å; A350-L370 HydrophobicContact CB-CD2 3.62Å; A350-Y373 VanDerWaalsContact CA-CD1 3.42Å; A350-Y373 HydrophobicContact CB-CD1 3.71Å; A350-Y373 HydrophobicContact CB-CD2 4.27Å; A350-Y373 HydrophobicContact CB-CE1 4.33Å; A350-Y373 HydrophobicContact CB-CG 3.68Å
351	P	95.9	Very high	84.4	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-54.5	-43.7	-176	-20.1	25.8	0	0	0	114.1	L353 L354 E355 Y373 V421 C422 Q455	P351-L353 VanDerWaalsContact C-N 3.26Å; P351-L353 PolarHBondContact O-N 3.49Å; P351-L354 PolarHBondContact O-N 3.05Å; P351-E355 WeakPolarHBondContact O-CB 3.41Å; P351-E355 WeakPolarHBondContact O-CG 3.12Å; P351-E355 PolarHBondContact O-N 3.34Å; P351-Y373 HydrophobicContact CG-CE2 4.39Å; P351-V421 HydrophobicContact CB-CG1 4.2Å; P351-V421 HydrophobicContact CG-CG1 3.76Å; P351-C422 VanDerWaalsContact CA-SG 3.6Å; P351-Q455 VanDerWaalsContact CG-OE1 3.3Å
352	E	93.5	Very high	85.8	Confident	20 Å²	20	50.4 Å²	50.4	9%	0.093	28%	0.277	C	S	.	.	H	α-helix	trans	-68.3	-23.2	179.6	69.5	-79.8	-169.5	0	0	113.2	A350 G356 A357 A358 L370 R460	A350-E352 VanDerWaalsContact C-N 3.32Å; A350-E352 WeakPolarHBondContact CB-OE1 3.26Å; A350-E352 WeakPolarHBondContact CB-OE2 3.45Å; A350-E352 PolarHBondContact O-N 3.22Å; E352-G356 PolarHBondContact O-N 2.58Å; E352-A357 CarbonylContact O-C 3.59Å; E352-A357 PolarHBondContact O-N 3.09Å; E352-A358 HydrophobicContact CG-CB 4.17Å; E352-A358 PolarHBondContact O-N 3.02Å; E352-L370 HydrophobicContact CG-CD2 4.3Å; E352-L370 WeakPolarHBondContact OE1-CD2 3.48Å; E352-R460 IonicContact OE1-CZ 2.79Å; E352-R460 IonicContact OE1-NH1 2.64Å; E352-R460 PolarHBondContact OE1-NH1 2.65Å; E352-R460 IonicContact OE1-NH2 2.76Å; E352-R460 PolarHBondContact OE1-NH2 3.48Å; E352-R460 IonicContact OE2-CZ 2.88Å; E352-R460 IonicContact OE2-NH1 2.64Å; E352-R460 IonicContact OE2-NH2 2.78Å; E352-R460 PolarHBondContact OE2-NH2 3.23Å
353	L	91.8	Very high	86.8	Confident	21 Å²	21	45.5 Å²	45.5	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-80.5	-44.1	172.6	-169.6	66.2	0	0	0	110.5	A341 M349 A350 P351 E355 G356 L370	A341-L353 HydrophobicContact CB-CD1 4.14Å; A341-L353 VanDerWaalsContact O-CD1 3.27Å; A341-L353 WeakPolarHBondContact O-CD1 3.31Å; M349-L353 HydrophobicContact CB-CB 4.45Å; M349-L353 HydrophobicContact CB-CD2 3.95Å; M349-L353 HydrophobicContact CB-CG 4.44Å; M349-L353 HydrophobicContact CG-CD2 3.73Å; M349-L353 HydrophobicContact CG-CG 4.43Å; M349-L353 HydrophobicContact SD-CD2 4.21Å; M349-L353 HydrophobicContact SD-CG 4.41Å; A350-L353 WeakPolarHBondContact O-CB 3.41Å; A350-L353 PolarHBondContact O-N 3.13Å; P351-L353 VanDerWaalsContact C-N 3.26Å; P351-L353 PolarHBondContact O-N 3.49Å; L353-E355 VanDerWaalsContact C-N 3.3Å; L353-E355 PolarHBondContact O-N 2.81Å; L353-G356 PolarHBondContact O-N 2.91Å; L353-G356 VanDerWaalsContact O-N 3.11Å; L353-L370 HydrophobicContact CB-CD2 3.83Å; L353-L370 HydrophobicContact CD1-CD1 4.2Å; L353-L370 HydrophobicContact CD2-CD1 4.22Å; L353-L370 HydrophobicContact CD2-CD2 4.26Å; L353-L370 HydrophobicContact CG-CD2 4.47Å
354	L	92.9	Very high	87.6	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-38	174.6	-70.2	170.8	0	0	0	112.2	V346 M349 A350 P351 L414 M417 Q418 V421	V346-L354 HydrophobicContact CG1-CD2 4.32Å; M349-L354 HydrophobicContact CB-CD2 3.7Å; M349-L354 HydrophobicContact CB-CG 3.76Å; M349-L354 HydrophobicContact CG-CD2 4.48Å; M349-L354 WeakPolarHBondContact O-CD1 3.44Å; M349-L354 HydrophobicContact SD-CD2 4.13Å; A350-L354 PolarHBondContact O-N 3.48Å; P351-L354 PolarHBondContact O-N 3.05Å; L354-L414 HydrophobicContact CD2-CD1 3.61Å; L354-M417 HydrophobicContact CD1-CB 4.03Å; L354-M417 HydrophobicContact CD2-CB 3.66Å; L354-Q418 HydrophobicContact CB-CG 4.08Å; L354-Q418 WeakPolarHBondContact O-CG 3.23Å; L354-Q418 PolarHBondContact O-NE2 3.47Å; L354-V421 HydrophobicContact CD1-CB 3.75Å; L354-V421 HydrophobicContact CD1-CG1 3.77Å; L354-V421 HydrophobicContact CD1-CG2 4.22Å
355	E	90.8	Very high	88.5	Confident	116 Å²	116	49.1 Å²	49.1	54%	0.542	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-9	177.1	-69.3	-177.5	153.8	0	0	113.9	P351 L353 A357 C422	P351-E355 WeakPolarHBondContact O-CB 3.41Å; P351-E355 WeakPolarHBondContact O-CG 3.12Å; P351-E355 PolarHBondContact O-N 3.34Å; L353-E355 VanDerWaalsContact C-N 3.3Å; L353-E355 PolarHBondContact O-N 2.81Å; E355-A357 HydrophobicContact CB-CB 4.15Å; E355-A357 PolarHBondContact O-N 3.1Å; E355-C422 HydrophobicContact CG-CB 3.99Å; E355-C422 WeakPolarHBondContact OE1-CB 3.33Å
356	G	85.9	Confident	88.6	Confident	62 Å²	62	48 Å²	48	64%	0.639	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	24.1	-173.1	0	0	0	0	0	113.8	E352 L353	E352-G356 PolarHBondContact O-N 2.58Å; L353-G356 PolarHBondContact O-N 2.91Å; L353-G356 VanDerWaalsContact O-N 3.11Å
357	A	84	Confident	88.6	Confident	65 Å²	65	45.9 Å²	45.9	54%	0.537	25%	0.25	S	S	.	.			trans	-102.9	-2.4	-173	0	0	0	0	0	114.3	E352 E355 N359	E352-A357 CarbonylContact O-C 3.59Å; E352-A357 PolarHBondContact O-N 3.09Å; E355-A357 HydrophobicContact CB-CB 4.15Å; E355-A357 PolarHBondContact O-N 3.1Å; A357-N359 PolarHBondContact O-N 3.4Å
358	A	79.2	Confident	88.5	Confident	18 Å²	18	47.4 Å²	47.4	15%	0.149	26%	0.257	C	S	.	.			trans	-49.7	133.5	-176.7	0	0	0	0	0	113.7	E352 L360 T366	E352-A358 HydrophobicContact CG-CB 4.17Å; E352-A358 PolarHBondContact O-N 3.02Å; A358-L360 PolarHBondContact O-N 2.87Å; A358-T366 HydrophobicContact CB-CG2 3.9Å
359	N	77.5	Confident	88.5	Confident	78 Å²	78	47.8 Å²	47.8	42%	0.417	26%	0.259	S	S	.	.			trans	-79.4	75.8	-167.6	-177	19.9	0	0	0	113.8	A357 R361 D362 T366	A357-N359 PolarHBondContact O-N 3.4Å; N359-R361 PolarHBondContact O-N 3.3Å; N359-R361 WeakPolarHBondContact OD1-CB 3.46Å; N359-R361 PolarHBondContact OD1-N 3.28Å; N359-D362 CarbonylContact O-C 3.56Å; N359-D362 PolarHBondContact O-N 3.03Å; N359-D362 VanDerWaalsContact O-N 3.11Å; N359-T366 PolarHBondContact O-OG1 3.39Å
360	L	72.4	Confident	88.5	Confident	67 Å²	67	47.4 Å²	47.4	35%	0.351	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	18.2	177.2	-54.6	-177.7	0	0	0	115.3	L340 A358	L340-L360 HydrophobicContact CB-CD2 4.49Å; A358-L360 PolarHBondContact O-N 2.87Å
361	R	77.4	Confident	88.6	Confident	234 Å²	234	47.5 Å²	47.5	88%	0.883	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-37.6	163.2	-64.9	177.5	170.4	169.8	-3.1	111.7	N359	N359-R361 PolarHBondContact O-N 3.3Å; N359-R361 WeakPolarHBondContact OD1-CB 3.46Å; N359-R361 PolarHBondContact OD1-N 3.28Å
362	D	84	Confident	88.7	Confident	67 Å²	67	47.5 Å²	47.5	36%	0.358	26%	0.258	S	S	.	.	S	Bend	trans	-117.7	85.6	167.4	180	-7.6	0	0	0	107.6	N359 E364 T365 T366	N359-D362 CarbonylContact O-C 3.56Å; N359-D362 PolarHBondContact O-N 3.03Å; N359-D362 VanDerWaalsContact O-N 3.11Å; D362-E364 VanDerWaalsContact C-N 3.25Å; D362-E364 PolarHBondContact O-N 3.49Å; D362-E364 PolarHBondContact OD1-N 2.94Å; D362-E364 VanDerWaalsContact OD1-N 3.12Å; D362-T365 PolarHBondContact OD1-N 3.47Å; D362-T365 PolarHBondContact OD1-OG1 3.31Å; D362-T365 WeakPolarHBondContact OD2-CB 3.29Å; D362-T365 PolarHBondContact OD2-OG1 3.24Å; D362-T366 WeakPolarHBondContact O-CB 3.48Å; D362-T366 PolarHBondContact O-N 2.62Å; D362-T366 VanDerWaalsContact O-N 3.15Å; D362-T366 PolarHBondContact O-OG1 3.32Å
363	P	83.9	Confident	89	Confident	32 Å²	32	46.5 Å²	46.5	21%	0.208	25%	0.253	C	S	.	.	H	α-helix	trans	-74.6	-16.6	-179.6	33.9	-36.8	0	0	0	112.2	L329 L367	L329-P363 HydrophobicContact CB-CG 4.21Å; L329-P363 HydrophobicContact CD1-CB 3.98Å; L329-P363 HydrophobicContact CD1-CG 4.16Å; P363-L367 WeakPolarHBondContact O-CB 3.45Å; P363-L367 WeakPolarHBondContact O-CD1 3.32Å; P363-L367 WeakPolarHBondContact O-CG 3.21Å; P363-L367 PolarHBondContact O-N 3.2Å
364	E	88.6	Confident	89.3	Confident	64 Å²	64	45.8 Å²	45.8	30%	0.299	25%	0.25	S	C	.	.	H	α-helix	trans	-73.5	-58	178.2	-170.4	-169.6	143.8	0	0	110.2	L326 D362 T366 L367 K368	L326-E364 HydrophobicContact CB-CG 3.97Å; L326-E364 HydrophobicContact CD1-CG 3.7Å; L326-E364 HydrophobicContact CG-CG 4.35Å; D362-E364 VanDerWaalsContact C-N 3.25Å; D362-E364 PolarHBondContact O-N 3.49Å; D362-E364 PolarHBondContact OD1-N 2.94Å; D362-E364 VanDerWaalsContact OD1-N 3.12Å; E364-T366 VanDerWaalsContact C-N 3.32Å; E364-T366 PolarHBondContact O-N 3.3Å; E364-L367 PolarHBondContact O-N 2.79Å; E364-K368 HydrophobicContact CG-CD 4.26Å; E364-K368 WeakPolarHBondContact O-CB 3.34Å; E364-K368 WeakPolarHBondContact O-CG 3.5Å; E364-K368 PolarHBondContact O-N 2.68Å; E364-K368 IonicContact OE1-NZ 4Å; E364-K368 PolarHBondContact OE1-NZ 3.41Å
365	T	91.5	Very high	89.6	Confident	67 Å²	67	45.6 Å²	45.6	41%	0.411	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-43.5	177.5	-55.7	0	0	0	0	110.4	D362 K368 Q369	D362-T365 PolarHBondContact OD1-N 3.47Å; D362-T365 PolarHBondContact OD1-OG1 3.31Å; D362-T365 WeakPolarHBondContact OD2-CB 3.29Å; D362-T365 PolarHBondContact OD2-OG1 3.24Å; T365-K368 PolarHBondContact O-N 3.11Å; T365-Q369 HydrophobicContact CG2-CG 4.21Å; T365-Q369 WeakPolarHBondContact O-CB 3.46Å; T365-Q369 VanDerWaalsContact O-CG 3.29Å; T365-Q369 WeakPolarHBondContact O-CG 3.37Å; T365-Q369 PolarHBondContact O-N 2.97Å
366	T	92	Very high	90	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.043	22%	0.223	C	C	.	.	H	α-helix	trans	-59	-52.3	178.4	-60.6	0	0	0	0	111.5	A358 N359 D362 E364 K368 Q369 L370	A358-T366 HydrophobicContact CB-CG2 3.9Å; N359-T366 PolarHBondContact O-OG1 3.39Å; D362-T366 WeakPolarHBondContact O-CB 3.48Å; D362-T366 PolarHBondContact O-N 2.62Å; D362-T366 VanDerWaalsContact O-N 3.15Å; D362-T366 PolarHBondContact O-OG1 3.32Å; E364-T366 VanDerWaalsContact C-N 3.32Å; E364-T366 PolarHBondContact O-N 3.3Å; T366-K368 VanDerWaalsContact C-N 3.33Å; T366-K368 PolarHBondContact O-N 3.08Å; T366-Q369 PolarHBondContact O-N 3.47Å; T366-Q369 VanDerWaalsContact O-N 3.15Å; T366-L370 WeakPolarHBondContact O-CG 3.24Å; T366-L370 PolarHBondContact O-N 3.49Å; T366-L370 VanDerWaalsContact O-N 3.08Å
367	L	92.8	Very high	90.6	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-33	-177.5	-67.4	175.2	0	0	0	112.3	A298 R300 V324 L326 L329 P363 E364 L370	A298-L367 HydrophobicContact CB-CB 3.65Å; R300-L367 HydrophobicContact CG-CD2 4.13Å; V324-L367 HydrophobicContact CB-CD1 4.44Å; V324-L367 HydrophobicContact CG1-CD1 4.33Å; L326-L367 HydrophobicContact CD2-CB 4.14Å; L326-L367 HydrophobicContact CD2-CD1 3.75Å; L329-L367 HydrophobicContact CD1-CD1 3.73Å; P363-L367 WeakPolarHBondContact O-CB 3.45Å; P363-L367 WeakPolarHBondContact O-CD1 3.32Å; P363-L367 WeakPolarHBondContact O-CG 3.21Å; P363-L367 PolarHBondContact O-N 3.2Å; E364-L367 PolarHBondContact O-N 2.79Å; L367-L370 HydrophobicContact CD2-CD1 3.84Å
368	K	95.8	Very high	91.3	Very high	41 Å²	41	34 Å²	34	18%	0.178	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-44.2	170.3	-73.1	175.1	174.4	177.3	0	111.5	H284 L326 E364 T365 T366 L370 D371 V372	H284-K368 HydrophobicContact CB-CD 4.41Å; H284-K368 HydrophobicContact CB-CG 4.43Å; H284-K368 PolarHBondContact CE1-O 2.81Å; H284-K368 VanDerWaalsContact CE1-O 3.27Å; H284-K368 WeakPolarHBondContact O-CE 3.22Å; H284-K368 PolarHBondContact O-NZ 3.21Å; H284-K368 VanDerWaalsContact O-NZ 3.1Å; L326-K368 HydrophobicContact CD1-CD 4.27Å; L326-K368 HydrophobicContact CD1-CG 3.95Å; E364-K368 HydrophobicContact CG-CD 4.26Å; E364-K368 WeakPolarHBondContact O-CB 3.34Å; E364-K368 WeakPolarHBondContact O-CG 3.5Å; E364-K368 PolarHBondContact O-N 2.68Å; E364-K368 IonicContact OE1-NZ 4Å; E364-K368 PolarHBondContact OE1-NZ 3.41Å; T365-K368 PolarHBondContact O-N 3.11Å; T366-K368 VanDerWaalsContact C-N 3.33Å; T366-K368 PolarHBondContact O-N 3.08Å; K368-L370 VanDerWaalsContact C-N 3.31Å; K368-L370 PolarHBondContact O-N 2.63Å; K368-D371 PolarHBondContact O-N 3.27Å; K368-D371 VanDerWaalsContact O-N 3.16Å; K368-V372 WeakPolarHBondContact O-CG2 3.48Å; K368-V372 PolarHBondContact O-N 2.66Å; K368-V372 VanDerWaalsContact O-N 3.09Å
369	Q	96.8	Very high	92.2	Very high	17 Å²	17	33.2 Å²	33.2	8%	0.079	16%	0.16	C	C	.	.	H	α-helix	trans	-72.3	-19.2	-178.8	-67.5	-68.1	22	0	0	114.6	T365 T366 Y373 S457 R460	T365-Q369 HydrophobicContact CG2-CG 4.21Å; T365-Q369 WeakPolarHBondContact O-CB 3.46Å; T365-Q369 VanDerWaalsContact O-CG 3.29Å; T365-Q369 WeakPolarHBondContact O-CG 3.37Å; T365-Q369 PolarHBondContact O-N 2.97Å; T366-Q369 PolarHBondContact O-N 3.47Å; T366-Q369 VanDerWaalsContact O-N 3.15Å; Q369-Y373 PolarHBondContact O-N 2.91Å; Q369-S457 WeakPolarHBondContact CG-O 3.2Å; Q369-S457 PolarHBondContact NE2-O 3.09Å; Q369-R460 PolarHBondContact NE2-O 3.41Å; Q369-R460 PolarHBondContact O-NH1 3.29Å
370	L	96.1	Very high	93.2	Very high	13 Å²	13	30.4 Å²	30.4	7%	0.068	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-46.1	166.4	-63.9	179	0	0	0	111.4	A350 E352 L353 T366 L367 K368 V372 Y373 A374	A350-L370 HydrophobicContact CB-CD2 3.62Å; E352-L370 HydrophobicContact CG-CD2 4.3Å; E352-L370 WeakPolarHBondContact OE1-CD2 3.48Å; L353-L370 HydrophobicContact CB-CD2 3.83Å; L353-L370 HydrophobicContact CD1-CD1 4.2Å; L353-L370 HydrophobicContact CD2-CD1 4.22Å; L353-L370 HydrophobicContact CD2-CD2 4.26Å; L353-L370 HydrophobicContact CG-CD2 4.47Å; T366-L370 WeakPolarHBondContact O-CG 3.24Å; T366-L370 PolarHBondContact O-N 3.49Å; T366-L370 VanDerWaalsContact O-N 3.08Å; L367-L370 HydrophobicContact CD2-CD1 3.84Å; K368-L370 VanDerWaalsContact C-N 3.31Å; K368-L370 PolarHBondContact O-N 2.63Å; L370-V372 VanDerWaalsContact C-N 3.35Å; L370-Y373 PolarHBondContact O-N 3.32Å; L370-A374 PolarHBondContact O-N 2.88Å
371	D	97.9	Very high	94.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-35.7	177.9	-72.2	-21.7	0	0	0	111.9	V280 H284 A298 H299 R300 I302 K368 A374 L375	V280-D371 HydrophobicContact CG1-CB 4.31Å; H284-D371 IonicContact CD2-OD2 2.65Å; H284-D371 IonicContact CE1-OD2 2.72Å; H284-D371 WeakPolarHBondContact NE2-CB 3.46Å; H284-D371 IonicContact NE2-OD2 3.16Å; H284-D371 PolarHBondContact NE2-OD2 3.37Å; A298-D371 WeakPolarHBondContact CA-OD2 3.5Å; H299-D371 PolarHBondContact N-OD1 2.88Å; H299-D371 PolarHBondContact N-OD2 2.9Å; R300-D371 PolarHBondContact N-OD1 2.84Å; I302-D371 HydrophobicContact CG1-CB 4.06Å; K368-D371 PolarHBondContact O-N 3.27Å; K368-D371 VanDerWaalsContact O-N 3.16Å; D371-A374 PolarHBondContact O-N 3.2Å; D371-L375 WeakPolarHBondContact O-CB 3.38Å; D371-L375 PolarHBondContact O-N 3.1Å
372	V	98.7	Very high	95.5	Very high	1 Å²	1	16 Å²	16	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-45.1	176.5	172.5	0	0	0	0	111.6	K368 L370 A374 L375 G376 C452 R460 I461 A463	K368-V372 WeakPolarHBondContact O-CG2 3.48Å; K368-V372 PolarHBondContact O-N 2.66Å; K368-V372 VanDerWaalsContact O-N 3.09Å; L370-V372 VanDerWaalsContact C-N 3.35Å; V372-A374 VanDerWaalsContact C-N 3.28Å; V372-A374 PolarHBondContact O-N 3.09Å; V372-L375 WeakPolarHBondContact O-CB 3.4Å; V372-L375 PolarHBondContact O-N 3.09Å; V372-G376 PolarHBondContact O-N 2.96Å; V372-C452 HydrophobicContact CG1-CB 4.13Å; V372-R460 HydrophobicContact CG1-CB 4.27Å; V372-I461 VanDerWaalsContact CG1-O 3.24Å; V372-I461 WeakPolarHBondContact CG1-O 3.33Å; V372-A463 HydrophobicContact CG2-CB 4.26Å
373	Y	98.7	Very high	96.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.9	-44.8	175.5	168.8	-86.4	0	0	0	111.2	Y348 M349 A350 P351 Q369 L370 G376 L377 Y404 V421 C452 W453	Y348-Y373 WeakPolarHBondContact O-CD1 3.15Å; Y348-Y373 WeakPolarHBondContact O-CE1 3.38Å; M349-Y373 VanDerWaalsContact C-CE1 3.43Å; M349-Y373 WeakPolarHBondContact O-CE1 3.4Å; A350-Y373 VanDerWaalsContact CA-CD1 3.42Å; A350-Y373 HydrophobicContact CB-CD1 3.71Å; A350-Y373 HydrophobicContact CB-CD2 4.27Å; A350-Y373 HydrophobicContact CB-CE1 4.33Å; A350-Y373 HydrophobicContact CB-CG 3.68Å; P351-Y373 HydrophobicContact CG-CE2 4.39Å; Q369-Y373 PolarHBondContact O-N 2.91Å; L370-Y373 PolarHBondContact O-N 3.32Å; Y373-G376 PolarHBondContact O-N 3Å; Y373-L377 HydrophobicContact CD1-CD1 4.21Å; Y373-L377 HydrophobicContact CE1-CD1 3.52Å; Y373-L377 HydrophobicContact CE1-CG 4.31Å; Y373-L377 PolarHBondContact O-N 3.37Å; Y373-Y404 PolarHBondContact OH-OH 3.39Å; Y373-V421 WeakPolarHBondContact OH-CG1 3.34Å; Y373-C452 WeakPolarHBondContact CA-O 3.48Å; Y373-W453 HydrophobicContact CD2-CB 3.87Å; Y373-W453 HydrophobicContact CE2-CB 4.07Å
374	A	98.6	Very high	96.7	Very high	5 Å²	5	11.7 Å²	11.7	4%	0.041	6%	0.061	C	C	.	.	H	α-helix	trans	-67.9	-36.3	177.7	0	0	0	0	0	112.9	I302 L370 D371 V372 G376 L377 V378	I302-A374 HydrophobicContact CB-CB 3.83Å; I302-A374 HydrophobicContact CG2-CB 4.14Å; I302-A374 WeakPolarHBondContact O-CB 3.43Å; L370-A374 PolarHBondContact O-N 2.88Å; D371-A374 PolarHBondContact O-N 3.2Å; V372-A374 VanDerWaalsContact C-N 3.28Å; V372-A374 PolarHBondContact O-N 3.09Å; A374-G376 VanDerWaalsContact C-N 3.34Å; A374-L377 PolarHBondContact O-N 3.42Å; A374-V378 WeakPolarHBondContact O-CG2 3.42Å; A374-V378 PolarHBondContact O-N 3.27Å
375	L	98.8	Very high	97.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.9	-43.2	170.1	171.9	64.5	0	0	0	111.2	V276 A277 V280 D371 V372 L377 V378 L379 A466	V276-L375 HydrophobicContact CG1-CD1 3.7Å; A277-L375 HydrophobicContact CB-CD2 4.4Å; V280-L375 HydrophobicContact CB-CD2 4.33Å; V280-L375 HydrophobicContact CG2-CD1 4.22Å; V280-L375 HydrophobicContact CG2-CD2 4.39Å; D371-L375 WeakPolarHBondContact O-CB 3.38Å; D371-L375 PolarHBondContact O-N 3.1Å; V372-L375 WeakPolarHBondContact O-CB 3.4Å; V372-L375 PolarHBondContact O-N 3.09Å; L375-L377 VanDerWaalsContact C-N 3.31Å; L375-L377 PolarHBondContact O-N 3.06Å; L375-V378 PolarHBondContact O-N 3.26Å; L375-V378 VanDerWaalsContact O-N 3.16Å; L375-L379 HydrophobicContact CD1-CD1 4.24Å; L375-L379 HydrophobicContact CD1-CD2 4.45Å; L375-L379 HydrophobicContact CD1-CG 4.05Å; L375-L379 HydrophobicContact CG-CD1 4.05Å; L375-L379 HydrophobicContact CG-CG 4.32Å; L375-L379 VanDerWaalsContact O-CG 3.31Å; L375-L379 WeakPolarHBondContact O-CG 3.41Å; L375-L379 PolarHBondContact O-N 3.07Å; L375-A466 HydrophobicContact CD2-CB 4.37Å
376	G	98.7	Very high	97.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-56.4	-42.8	175	0	0	0	0	0	112.9	V372 Y373 A374 L379 W380 I449	V372-G376 PolarHBondContact O-N 2.96Å; Y373-G376 PolarHBondContact O-N 3Å; A374-G376 VanDerWaalsContact C-N 3.34Å; G376-L379 PolarHBondContact O-N 3.26Å; G376-W380 PolarHBondContact O-N 3.29Å; G376-I449 WeakPolarHBondContact O-CG2 3.44Å
377	L	98.8	Very high	97.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.9	-42.4	175.3	-62.6	172.9	0	0	0	112.2	Y348 Y373 A374 L375 W380 E381 P403 Y404 P428 W453	Y348-L377 HydrophobicContact CD1-CB 3.95Å; Y348-L377 HydrophobicContact CD1-CD1 3.97Å; Y348-L377 HydrophobicContact CE1-CB 4.1Å; Y348-L377 HydrophobicContact CG-CD1 4.38Å; Y373-L377 HydrophobicContact CD1-CD1 4.21Å; Y373-L377 HydrophobicContact CE1-CD1 3.52Å; Y373-L377 HydrophobicContact CE1-CG 4.31Å; Y373-L377 PolarHBondContact O-N 3.37Å; A374-L377 PolarHBondContact O-N 3.42Å; L375-L377 VanDerWaalsContact C-N 3.31Å; L375-L377 PolarHBondContact O-N 3.06Å; L377-W380 PolarHBondContact O-N 3.43Å; L377-E381 PolarHBondContact O-N 3.48Å; L377-E381 VanDerWaalsContact O-N 3.08Å; L377-P403 HydrophobicContact CB-CB 4.28Å; L377-P403 HydrophobicContact CB-CG 4.03Å; L377-P403 HydrophobicContact CD2-CB 4.06Å; L377-Y404 HydrophobicContact CD1-CE2 4.13Å; L377-Y404 HydrophobicContact CD2-CE2 3.74Å; L377-P428 HydrophobicContact CD2-CG 3.86Å; L377-W453 HydrophobicContact CD2-CE3 3.71Å; L377-W453 HydrophobicContact CD2-CZ3 4.04Å; L377-W453 HydrophobicContact CG-CE3 4.4Å
378	V	98.8	Very high	97.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.8	-38.7	176.6	174.2	0	0	0	0	111.8	L255 V276 I302 Y348 A374 L375 W380 E381 I382	L255-V378 HydrophobicContact CD2-CG1 3.74Å; V276-V378 HydrophobicContact CG1-CG1 4.31Å; I302-V378 HydrophobicContact CG2-CG2 4.22Å; Y348-V378 HydrophobicContact CD1-CG2 4.47Å; Y348-V378 HydrophobicContact CE1-CG2 4.02Å; A374-V378 WeakPolarHBondContact O-CG2 3.42Å; A374-V378 PolarHBondContact O-N 3.27Å; L375-V378 PolarHBondContact O-N 3.26Å; L375-V378 VanDerWaalsContact O-N 3.16Å; V378-W380 VanDerWaalsContact C-N 3.34Å; V378-W380 PolarHBondContact O-N 2.95Å; V378-E381 WeakPolarHBondContact O-CB 3.31Å; V378-E381 PolarHBondContact O-N 3.02Å; V378-I382 HydrophobicContact CG1-CD1 4.45Å; V378-I382 WeakPolarHBondContact O-CG1 3Å; V378-I382 PolarHBondContact O-N 2.93Å
379	L	98.7	Very high	97.4	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-62.4	-41.1	174.5	-69.9	172.7	0	0	0	111.5	A273 L375 G376 E381 I382 V383 L448 I449 L470	A273-L379 HydrophobicContact CB-CD2 3.66Å; L375-L379 HydrophobicContact CD1-CD1 4.24Å; L375-L379 HydrophobicContact CD1-CD2 4.45Å; L375-L379 HydrophobicContact CD1-CG 4.05Å; L375-L379 HydrophobicContact CG-CD1 4.05Å; L375-L379 HydrophobicContact CG-CG 4.32Å; L375-L379 VanDerWaalsContact O-CG 3.31Å; L375-L379 WeakPolarHBondContact O-CG 3.41Å; L375-L379 PolarHBondContact O-N 3.07Å; G376-L379 PolarHBondContact O-N 3.26Å; L379-E381 VanDerWaalsContact C-N 3.34Å; L379-E381 PolarHBondContact O-N 2.71Å; L379-I382 PolarHBondContact O-N 3.21Å; L379-V383 WeakPolarHBondContact O-CG2 3.32Å; L379-V383 PolarHBondContact O-N 2.81Å; L379-L448 HydrophobicContact CD1-CD2 3.95Å; L379-I449 HydrophobicContact CB-CD1 3.96Å; L379-I449 HydrophobicContact CB-CG1 3.84Å; L379-I449 HydrophobicContact CD1-CG1 4.38Å; L379-L470 HydrophobicContact CD1-CD1 4.16Å; L379-L470 HydrophobicContact CD2-CD1 3.82Å
380	W	98.5	Very high	97.2	Very high	18 Å²	18	12 Å²	12	7%	0.068	6%	0.057	C	C	.	.	H	α-helix	trans	-61.3	-39.7	172.6	173.2	90.5	0	0	0	112.5	G376 L377 V378 I382 V383 S384 P403 P428 S429 F430 I449 W453	G376-W380 PolarHBondContact O-N 3.29Å; L377-W380 PolarHBondContact O-N 3.43Å; V378-W380 VanDerWaalsContact C-N 3.34Å; V378-W380 PolarHBondContact O-N 2.95Å; W380-I382 VanDerWaalsContact C-N 3.35Å; W380-I382 PolarHBondContact O-N 3.19Å; W380-V383 PolarHBondContact O-N 3.38Å; W380-S384 WeakPolarHBondContact O-CB 3.33Å; W380-S384 PolarHBondContact O-N 2.87Å; W380-P403 HydrophobicContact CE3-CB 4.45Å; W380-P403 HydrophobicContact CE3-CG 4.22Å; W380-P403 HydrophobicContact CZ3-CB 4.43Å; W380-P403 HydrophobicContact CZ3-CG 4.29Å; W380-P428 HydrophobicContact CD2-CB 3.48Å; W380-P428 VanDerWaalsContact CD2-CB 3.48Å; W380-P428 HydrophobicContact CD2-CG 4.19Å; W380-P428 HydrophobicContact CE3-CB 3.96Å; W380-P428 HydrophobicContact CE3-CG 4.32Å; W380-P428 HydrophobicContact CG-CB 3.91Å; W380-P428 HydrophobicContact CH2-CB 4.17Å; W380-P428 HydrophobicContact CZ2-CB 3.69Å; W380-P428 HydrophobicContact CZ3-CB 4.29Å; W380-S429 PolarHBondContact NE1-O 3.49Å; W380-F430 AromaticContact CD1-CD1 3.92Å; W380-F430 AromaticContact CD1-CE1 3.95Å; W380-I449 HydrophobicContact CB-CG2 4.31Å; W380-W453 HydrophobicContact CB-CH2 3.97Å; W380-W453 HydrophobicContact CB-CZ3 3.57Å; W380-W453 AromaticContact CD1-CH2 3.8Å; W380-W453 AromaticContact CG-CH2 3.98Å; W380-W453 HydrophobicContact CG-CH2 3.98Å; W380-W453 AromaticContact CG-CZ3 3.96Å; W380-W453 HydrophobicContact CG-CZ3 3.96Å
381	E	98.6	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.1	-45.4	176.5	-69.7	178.5	-114	0	0	111.7	L259 S304 Y348 L377 V378 L379 S384 Y400 P403	L259-E381 HydrophobicContact CD1-CB 3.84Å; S304-E381 VanDerWaalsContact CB-OE2 3.22Å; S304-E381 WeakPolarHBondContact CB-OE2 3.24Å; S304-E381 VanDerWaalsContact OG-CD 3.3Å; S304-E381 PolarHBondContact OG-OE1 2.8Å; S304-E381 PolarHBondContact OG-OE2 3.08Å; Y348-E381 VanDerWaalsContact CE1-OE1 3.25Å; Y348-E381 WeakPolarHBondContact CE1-OE1 3.36Å; Y348-E381 VanDerWaalsContact CZ-OE1 3.32Å; Y348-E381 PolarHBondContact OH-OE1 2.89Å; L377-E381 PolarHBondContact O-N 3.48Å; L377-E381 VanDerWaalsContact O-N 3.08Å; V378-E381 WeakPolarHBondContact O-CB 3.31Å; V378-E381 PolarHBondContact O-N 3.02Å; L379-E381 VanDerWaalsContact C-N 3.34Å; L379-E381 PolarHBondContact O-N 2.71Å; E381-S384 PolarHBondContact O-N 3.18Å; E381-S384 PolarHBondContact O-OG 3.31Å; E381-Y400 HydrophobicContact CB-CE2 4.36Å; E381-Y400 HydrophobicContact CG-CE2 4.45Å; E381-Y400 PolarHBondContact OE2-OH 2.93Å; E381-P403 HydrophobicContact CG-CG 3.7Å
382	I	98.5	Very high	96.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-47.1	178.5	-56.7	166	0	0	0	109.8	L255 L259 L264 M269 L272 A273 V378 L379 W380 S384 R385	L255-I382 HydrophobicContact CD1-CG1 4.36Å; L255-I382 HydrophobicContact CD2-CD1 3.98Å; L255-I382 HydrophobicContact CD2-CG1 3.88Å; L259-I382 HydrophobicContact CD1-CG1 4.24Å; L264-I382 HydrophobicContact CD1-CG2 3.6Å; M269-I382 HydrophobicContact CB-CG2 4.38Å; M269-I382 HydrophobicContact CG-CG2 4.02Å; L272-I382 HydrophobicContact CB-CD1 4.1Å; L272-I382 HydrophobicContact CB-CG2 3.89Å; L272-I382 HydrophobicContact CD1-CG2 4.27Å; A273-I382 HydrophobicContact CB-CD1 4.43Å; V378-I382 HydrophobicContact CG1-CD1 4.45Å; V378-I382 WeakPolarHBondContact O-CG1 3Å; V378-I382 PolarHBondContact O-N 2.93Å; L379-I382 PolarHBondContact O-N 3.21Å; W380-I382 VanDerWaalsContact C-N 3.35Å; W380-I382 PolarHBondContact O-N 3.19Å; I382-S384 VanDerWaalsContact C-N 3.31Å; I382-S384 PolarHBondContact O-N 2.84Å; I382-R385 PolarHBondContact O-N 3.44Å
383	V	96.9	Very high	95.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-64.6	-33.7	179.7	173.9	0	0	0	0	112.3	M269 L379 W380 R385 C386 M434 L445 I449	M269-V383 HydrophobicContact CG-CG2 4.17Å; M269-V383 HydrophobicContact SD-CG2 3.9Å; L379-V383 WeakPolarHBondContact O-CG2 3.32Å; L379-V383 PolarHBondContact O-N 2.81Å; W380-V383 PolarHBondContact O-N 3.38Å; V383-R385 PolarHBondContact O-N 3.47Å; V383-C386 PolarHBondContact O-N 3.19Å; V383-C386 VanDerWaalsContact O-N 3.17Å; V383-M434 HydrophobicContact CG1-CE 3.97Å; V383-M434 HydrophobicContact CG1-SD 3.44Å; V383-M434 WeakPolarHBondContact CG1-SD 3.18Å; V383-L445 HydrophobicContact CG1-CD2 4.44Å; V383-L445 HydrophobicContact CG2-CD1 4.22Å; V383-L445 HydrophobicContact CG2-CD2 3.82Å; V383-L445 HydrophobicContact CG2-CG 4.2Å; V383-I449 HydrophobicContact CG2-CD1 4Å
384	S	97	Very high	95.3	Very high	7 Å²	7	22.4 Å²	22.4	5%	0.049	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-10.8	176.6	80.8	0	0	0	0	114.3	W380 E381 I382 Y390	W380-S384 WeakPolarHBondContact O-CB 3.33Å; W380-S384 PolarHBondContact O-N 2.87Å; E381-S384 PolarHBondContact O-N 3.18Å; E381-S384 PolarHBondContact O-OG 3.31Å; I382-S384 VanDerWaalsContact C-N 3.31Å; I382-S384 PolarHBondContact O-N 2.84Å; S384-Y390 WeakPolarHBondContact O-CE2 3.37Å; S384-Y390 PolarHBondContact O-OH 2.82Å
385	R	97.7	Very high	94.9	Very high	22 Å²	22	24.6 Å²	24.6	8%	0.083	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	4.5	-179.5	-59.4	-64	-70.6	138.7	10.1	114.2	L259 N262 L264 I382 V383 E387 V397 P398 Y400	L259-R385 HydrophobicContact CB-CG 4.19Å; L259-R385 HydrophobicContact CD2-CB 4.05Å; L259-R385 HydrophobicContact CD2-CG 4.06Å; L259-R385 PolarHBondContact O-NE 2.84Å; L259-R385 PolarHBondContact O-NH2 2.68Å; N262-R385 PolarHBondContact O-NE 3.19Å; N262-R385 PolarHBondContact O-NH2 3.16Å; L264-R385 HydrophobicContact CD1-CB 4.38Å; L264-R385 HydrophobicContact CG-CB 4.31Å; L264-R385 PolarHBondContact N-O 3.31Å; I382-R385 PolarHBondContact O-N 3.44Å; V383-R385 PolarHBondContact O-N 3.47Å; R385-E387 PolarHBondContact O-N 3.49Å; R385-V397 VanDerWaalsContact NH1-CG1 3.32Å; R385-P398 PolarHBondContact NH1-O 2.87Å; R385-Y400 HydrophobicContact CG-CD2 4.33Å
386	C	96.7	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-83	109.3	-177.1	-166.2	0	0	0	0	112.6	L264 M269 V383 D388 V389 Y390	L264-C386 CarbonylContact O-C 3.44Å; L264-C386 VanDerWaalsContact O-CA 3.3Å; L264-C386 WeakPolarHBondContact O-CA 3.36Å; M269-C386 HydrophobicContact CB-CB 4.08Å; M269-C386 HydrophobicContact CG-CB 3.94Å; V383-C386 PolarHBondContact O-N 3.19Å; V383-C386 VanDerWaalsContact O-N 3.17Å; C386-D388 PolarHBondContact O-N 2.92Å; C386-V389 HydrophobicContact CB-CB 4.38Å; C386-V389 HydrophobicContact CB-CG2 3.77Å; C386-V389 WeakPolarHBondContact O-CB 3.5Å; C386-V389 PolarHBondContact O-N 3.5Å; C386-Y390 WeakPolarHBondContact O-CD2 3.43Å
387	E	95.4	Very high	94.4	Very high	92 Å²	92	32.2 Å²	32.2	43%	0.43	20%	0.204	S	C	.	.	H	α-helix	trans	-54.2	-49.3	-175.4	-61	-168.3	155.6	0	0	112.9	S263 L264 R385 V389 Y390 A391 V397	S263-E387 WeakPolarHBondContact CB-OE1 3.34Å; S263-E387 PolarHBondContact OG-OE1 3.01Å; L264-E387 PolarHBondContact O-N 3.25Å; R385-E387 PolarHBondContact O-N 3.49Å; E387-V389 PolarHBondContact O-N 2.68Å; E387-V389 VanDerWaalsContact O-N 3.15Å; E387-Y390 PolarHBondContact O-N 3.35Å; E387-A391 WeakPolarHBondContact O-CB 3.47Å; E387-A391 PolarHBondContact O-N 2.87Å; E387-V397 HydrophobicContact CB-CG2 4.18Å; E387-V397 HydrophobicContact CG-CG2 3.82Å
388	D	93.1	Very high	94.2	Very high	59 Å²	59	34.6 Å²	34.6	32%	0.316	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-30.5	-176.1	-55.2	-64.4	0	0	0	112.8	S265 W266 C386 L392 C478	S265-D388 WeakPolarHBondContact CA-OD2 3.42Å; W266-D388 PolarHBondContact N-OD2 2.83Å; C386-D388 PolarHBondContact O-N 2.92Å; D388-L392 WeakPolarHBondContact O-CB 3.4Å; D388-L392 WeakPolarHBondContact O-CG 3.46Å; D388-L392 PolarHBondContact O-N 3.49Å; D388-L392 VanDerWaalsContact O-N 3.16Å; D388-C478 HydrophobicContact CB-CB 4.26Å; D388-C478 WeakPolarHBondContact CB-SG 3.49Å
389	V	92.6	Very high	94.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-70.4	-31.1	178	-174.6	0	0	0	0	111.7	W266 C386 E387 P431 A433 M434 L442	W266-V389 HydrophobicContact CE3-CG2 4.35Å; W266-V389 HydrophobicContact CZ3-CG2 4.28Å; C386-V389 HydrophobicContact CB-CB 4.38Å; C386-V389 HydrophobicContact CB-CG2 3.77Å; C386-V389 WeakPolarHBondContact O-CB 3.5Å; C386-V389 PolarHBondContact O-N 3.5Å; E387-V389 PolarHBondContact O-N 2.68Å; E387-V389 VanDerWaalsContact O-N 3.15Å; V389-P431 HydrophobicContact CG1-CB 3.8Å; V389-P431 HydrophobicContact CG1-CG 3.88Å; V389-A433 HydrophobicContact CG1-CB 4.41Å; V389-A433 WeakPolarHBondContact O-CB 3.49Å; V389-M434 HydrophobicContact CG1-CG 3.88Å; V389-M434 HydrophobicContact CG1-SD 4.07Å; V389-L442 HydrophobicContact CG1-CD2 4.29Å; V389-L442 HydrophobicContact CG2-CD2 3.94Å
390	Y	93.2	Very high	94	Very high	30 Å²	30	39.8 Å²	39.8	12%	0.118	26%	0.257	C	S	.	.	H	α-helix	trans	-86.5	-38.9	175.3	-68.7	-88.4	0	0	0	111.8	S384 C386 E387 L392 N393 G394 A395 V397 P398 P431	S384-Y390 WeakPolarHBondContact O-CE2 3.37Å; S384-Y390 PolarHBondContact O-OH 2.82Å; C386-Y390 WeakPolarHBondContact O-CD2 3.43Å; E387-Y390 PolarHBondContact O-N 3.35Å; Y390-L392 PolarHBondContact O-N 2.95Å; Y390-N393 PolarHBondContact O-N 3.05Å; Y390-G394 PolarHBondContact O-N 2.79Å; Y390-A395 CarbonylContact C-O 3.51Å; Y390-A395 WeakPolarHBondContact CB-O 3.43Å; Y390-A395 HydrophobicContact CD1-CB 4.16Å; Y390-A395 PolarHBondContact O-N 3.47Å; Y390-V397 HydrophobicContact CD2-CB 4.23Å; Y390-V397 HydrophobicContact CD2-CG1 4.09Å; Y390-V397 HydrophobicContact CD2-CG2 3.88Å; Y390-V397 HydrophobicContact CE2-CG1 3.94Å; Y390-V397 HydrophobicContact CG-CG2 4.37Å; Y390-P398 HydrophobicContact CE1-CG 4.05Å; Y390-P398 WeakPolarHBondContact OH-CD 3.45Å; Y390-P398 WeakPolarHBondContact OH-CG 3.27Å; Y390-P431 HydrophobicContact CD1-CB 4.36Å; Y390-P431 HydrophobicContact CE1-CB 3.91Å; Y390-P431 HydrophobicContact CE1-CG 4.11Å; Y390-P431 HydrophobicContact CE2-CB 4.4Å; Y390-P431 HydrophobicContact CE2-CG 3.94Å
391	A	91	Very high	93.9	Very high	66 Å²	66	41.9 Å²	41.9	55%	0.545	27%	0.268	S	S	.	.	H	α-helix	trans	-56	-37	176.7	0	0	0	0	0	112.3	E387 N393 G394	E387-A391 WeakPolarHBondContact O-CB 3.47Å; E387-A391 PolarHBondContact O-N 2.87Å; A391-N393 PolarHBondContact O-N 3.07Å; A391-G394 PolarHBondContact O-N 3.37Å
392	L	86.7	Confident	93.8	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.079	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.4	176.3	-92.6	172.1	0	0	0	115.6	D388 Y390 A433 R436 L442 P479	D388-L392 WeakPolarHBondContact O-CB 3.4Å; D388-L392 WeakPolarHBondContact O-CG 3.46Å; D388-L392 PolarHBondContact O-N 3.49Å; D388-L392 VanDerWaalsContact O-N 3.16Å; Y390-L392 PolarHBondContact O-N 2.95Å; L392-A433 HydrophobicContact CB-CB 4.22Å; L392-R436 PolarHBondContact O-NH2 3.06Å; L392-L442 HydrophobicContact CD1-CD1 3.72Å; L392-P479 HydrophobicContact CD1-CB 4.14Å; L392-P479 HydrophobicContact CD1-CG 4.44Å; L392-P479 HydrophobicContact CD2-CB 4.48Å; L392-P479 WeakPolarHBondContact CD2-O 3.36Å
393	N	85.7	Confident	93.8	Very high	80 Å²	80	44.1 Å²	44.1	43%	0.428	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	16.3	172.7	-75.9	22.1	0	0	0	112.3	Y390 A391 A395 A433 R436	Y390-N393 PolarHBondContact O-N 3.05Å; A391-N393 PolarHBondContact O-N 3.07Å; N393-A395 PolarHBondContact O-N 2.73Å; N393-A433 PolarHBondContact ND2-N 3.34Å; N393-R436 PolarHBondContact OD1-NH2 3.49Å; N393-R436 VanDerWaalsContact OD1-NH2 3.15Å
394	G	87.1	Confident	93.8	Very high	75 Å²	75	44.2 Å²	44.2	77%	0.773	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	17.1	-178.7	0	0	0	0	0	115	Y390 A391	Y390-G394 PolarHBondContact O-N 2.79Å; A391-G394 PolarHBondContact O-N 3.37Å
395	A	90.4	Very high	93.7	Very high	50 Å²	50	45.7 Å²	45.7	41%	0.413	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-92.6	154.2	-179.7	0	0	0	0	0	111.7	Y390 N393	Y390-A395 CarbonylContact C-O 3.51Å; Y390-A395 WeakPolarHBondContact CB-O 3.43Å; Y390-A395 HydrophobicContact CD1-CB 4.16Å; Y390-A395 PolarHBondContact O-N 3.47Å; N393-A395 PolarHBondContact O-N 2.73Å
396	T	92.9	Very high	93.4	Very high	128 Å²	128	51.5 Å²	51.5	79%	0.785	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-87	154.5	166	50.9	0	0	0	0	110.7
397	V	95.1	Very high	93.4	Very high	32 Å²	32	54.3 Å²	54.3	19%	0.194	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-69.2	126.4	175	-167.6	0	0	0	0	109.4	R385 E387 Y390	R385-V397 VanDerWaalsContact NH1-CG1 3.32Å; E387-V397 HydrophobicContact CB-CG2 4.18Å; E387-V397 HydrophobicContact CG-CG2 3.82Å; Y390-V397 HydrophobicContact CD2-CB 4.23Å; Y390-V397 HydrophobicContact CD2-CG1 4.09Å; Y390-V397 HydrophobicContact CD2-CG2 3.88Å; Y390-V397 HydrophobicContact CE2-CG1 3.94Å; Y390-V397 HydrophobicContact CG-CG2 4.37Å
398	P	94.9	Very high	93.4	Very high	50 Å²	50	50.7 Å²	50.7	33%	0.325	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-67.8	161.9	175.8	31	-36	0	0	0	111	R385 Y390	R385-P398 PolarHBondContact NH1-O 2.87Å; Y390-P398 HydrophobicContact CE1-CG 4.05Å; Y390-P398 WeakPolarHBondContact OH-CD 3.45Å; Y390-P398 WeakPolarHBondContact OH-CG 3.27Å
399	A	95.8	Very high	93.4	Very high	82 Å²	82	50.5 Å²	50.5	68%	0.678	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-55.2	148.6	169.8	0	0	0	0	0	110.9	E401	A399-E401 PolarHBondContact O-N 2.79Å
400	Y	96.9	Very high	93.3	Very high	28 Å²	28	54.2 Å²	54.2	11%	0.11	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-62.4	131.5	177.9	168.6	-99.6	0	0	0	111.5	T256 L259 N260 S304 E381 R385 L402	T256-Y400 HydrophobicContact CG2-CE1 3.92Å; L259-Y400 HydrophobicContact CB-CD2 3.66Å; L259-Y400 HydrophobicContact CB-CE2 3.81Å; L259-Y400 HydrophobicContact CB-CG 4.38Å; L259-Y400 HydrophobicContact CD1-CE2 4.07Å; N260-Y400 HydrophobicContact CB-CD1 3.96Å; N260-Y400 HydrophobicContact CB-CG 4.36Å; S304-Y400 PolarHBondContact OG-OH 3.47Å; E381-Y400 HydrophobicContact CB-CE2 4.36Å; E381-Y400 HydrophobicContact CG-CE2 4.45Å; E381-Y400 PolarHBondContact OE2-OH 2.93Å; R385-Y400 HydrophobicContact CG-CD2 4.33Å; Y400-L402 VanDerWaalsContact OH-CD2 3.32Å; Y400-L402 WeakPolarHBondContact OH-CD2 3.38Å
401	E	95.8	Very high	93.1	Very high	63 Å²	63	59.7 Å²	59.7	29%	0.294	39%	0.387	S	S	.	.			trans	-127.5	140.9	175.2	-68.4	176.2	-157.7	0	0	109.5	A399 K406	A399-E401 PolarHBondContact O-N 2.79Å; E401-K406 WeakPolarHBondContact OE1-CE 3.33Å; E401-K406 IonicContact OE1-NZ 3.62Å; E401-K406 WeakPolarHBondContact OE2-CE 3.44Å; E401-K406 WeakPolarHBondContact OE2-CG 3.34Å; E401-K406 IonicContact OE2-NZ 2.98Å
402	L	96.9	Very high	93.3	Very high	46 Å²	46	57.4 Å²	57.4	24%	0.241	37%	0.366	C	S	.	.			trans	-64.9	154.5	167.5	-75.6	165.1	0	0	0	110.6	Y348 Y400 Y404 G405	Y348-L402 WeakPolarHBondContact OH-CD2 3.36Å; Y400-L402 VanDerWaalsContact OH-CD2 3.32Å; Y400-L402 WeakPolarHBondContact OH-CD2 3.38Å; L402-Y404 PolarHBondContact O-N 2.9Å; L402-G405 WeakPolarHBondContact O-CA 3.36Å; L402-G405 PolarHBondContact O-N 2.86Å
403	P	97.7	Very high	93.6	Very high	0 Å²	0	59 Å²	59	0%	0	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	134.9	176	-26.3	34.8	0	0	0	111.6	R347 Y348 L377 W380 E381 G405 P428	R347-P403 WeakPolarHBondContact CD-O 3.31Å; R347-P403 WeakPolarHBondContact CG-O 3.47Å; R347-P403 PolarHBondContact NH1-O 3.1Å; Y348-P403 HydrophobicContact CE1-CG 3.88Å; Y348-P403 WeakPolarHBondContact OH-CD 3.33Å; L377-P403 HydrophobicContact CB-CB 4.28Å; L377-P403 HydrophobicContact CB-CG 4.03Å; L377-P403 HydrophobicContact CD2-CB 4.06Å; W380-P403 HydrophobicContact CE3-CB 4.45Å; W380-P403 HydrophobicContact CE3-CG 4.22Å; W380-P403 HydrophobicContact CZ3-CB 4.43Å; W380-P403 HydrophobicContact CZ3-CG 4.29Å; E381-P403 HydrophobicContact CG-CG 3.7Å; P403-G405 PolarHBondContact O-N 2.99Å; P403-P428 HydrophobicContact CB-CG 4.06Å
404	Y	97.7	Very high	94	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.016	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	16.5	-173.2	-45.3	-80.1	0	0	0	115.4	R347 Y373 L377 L402 K406 D407 V408 M417 V420 V421 R427 P428	R347-Y404 HydrophobicContact CG-CD2 4.43Å; Y373-Y404 PolarHBondContact OH-OH 3.39Å; L377-Y404 HydrophobicContact CD1-CE2 4.13Å; L377-Y404 HydrophobicContact CD2-CE2 3.74Å; L402-Y404 PolarHBondContact O-N 2.9Å; Y404-K406 PolarHBondContact O-N 3.42Å; Y404-K406 VanDerWaalsContact O-N 3.08Å; Y404-D407 PolarHBondContact O-N 3.07Å; Y404-V408 PolarHBondContact O-N 2.91Å; Y404-V408 VanDerWaalsContact O-N 3.15Å; Y404-M417 HydrophobicContact CD2-CE 3.74Å; Y404-M417 HydrophobicContact CE2-CE 3.92Å; Y404-M417 HydrophobicContact CG-CE 4.35Å; Y404-V420 HydrophobicContact CD1-CG1 3.72Å; Y404-V420 HydrophobicContact CE1-CG1 4.16Å; Y404-V421 HydrophobicContact CE1-CG2 3.86Å; Y404-V421 HydrophobicContact CE2-CG2 3.99Å; Y404-R427 WeakPolarHBondContact OH-CD 3.36Å; Y404-P428 HydrophobicContact CD1-CG 4.46Å; Y404-P428 HydrophobicContact CE1-CG 4.27Å; Y404-P428 HydrophobicContact CE2-CG 4.49Å
405	G	94.2	Very high	94.3	Very high	38 Å²	38	61.8 Å²	61.8	39%	0.392	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.2	-179.3	0	0	0	0	0	115.6	L402 P403	L402-G405 WeakPolarHBondContact O-CA 3.36Å; L402-G405 PolarHBondContact O-N 2.86Å; P403-G405 PolarHBondContact O-N 2.99Å
406	K	92.7	Very high	94.6	Very high	143 Å²	143	61.2 Å²	61.2	62%	0.622	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-7.4	175.5	-49.8	-171.2	-177.7	-173.6	0	114.3	E401 Y404	E401-K406 WeakPolarHBondContact OE1-CE 3.33Å; E401-K406 IonicContact OE1-NZ 3.62Å; E401-K406 WeakPolarHBondContact OE2-CE 3.44Å; E401-K406 WeakPolarHBondContact OE2-CG 3.34Å; E401-K406 IonicContact OE2-NZ 2.98Å; Y404-K406 PolarHBondContact O-N 3.42Å; Y404-K406 VanDerWaalsContact O-N 3.08Å
407	D	95.1	Very high	94.8	Very high	59 Å²	59	55.1 Å²	55.1	32%	0.316	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-24.5	-167.2	-74.4	-61.3	0	0	0	114.2	Y404 V420 K426	Y404-D407 PolarHBondContact O-N 3.07Å; D407-V420 HydrophobicContact CB-CG1 4.01Å; D407-V420 HydrophobicContact CB-CG2 4.19Å; D407-K426 IonicContact OD1-NZ 3.48Å; D407-K426 PolarHBondContact OD1-NZ 2.96Å; D407-K426 WeakPolarHBondContact OD2-CD 3.25Å; D407-K426 WeakPolarHBondContact OD2-CE 3.26Å; D407-K426 IonicContact OD2-NZ 2.67Å; D407-K426 PolarHBondContact OD2-NZ 3.44Å
408	V	95.2	Very high	94.9	Very high	17 Å²	17	56.8 Å²	56.8	10%	0.103	33%	0.328	C	S	.	.	S	Bend	trans	-139.9	161.6	-178.1	-56.4	0	0	0	0	110.8	R347 Y404 P412 E416 M417 V420	R347-V408 VanDerWaalsContact NH1-CG2 3.31Å; Y404-V408 PolarHBondContact O-N 2.91Å; Y404-V408 VanDerWaalsContact O-N 3.15Å; V408-P412 HydrophobicContact CB-CB 3.85Å; V408-P412 HydrophobicContact CG2-CB 3.65Å; V408-P412 HydrophobicContact CG2-CG 3.94Å; V408-E416 HydrophobicContact CB-CB 4.23Å; V408-E416 HydrophobicContact CG1-CB 3.91Å; V408-M417 HydrophobicContact CG1-SD 4.15Å; V408-M417 HydrophobicContact CG2-SD 3.99Å; V408-V420 HydrophobicContact CG1-CB 4.27Å; V408-V420 HydrophobicContact CG1-CG2 3.65Å
409	S	93.3	Very high	95	Very high	55 Å²	55	60 Å²	60	39%	0.385	33%	0.334	S	S	.	.			trans	-60	166.6	176.3	63.6	0	0	0	0	113.1	R347 N411 P412 E416	R347-S409 PolarHBondContact NH2-O 3.44Å; S409-N411 VanDerWaalsContact C-N 3.26Å; S409-N411 PolarHBondContact O-N 3.3Å; S409-P412 WeakPolarHBondContact O-CD 3.43Å; S409-E416 VanDerWaalsContact CB-OE1 3.29Å; S409-E416 WeakPolarHBondContact CB-OE1 3.2Å; S409-E416 PolarHBondContact N-OE1 3.41Å; S409-E416 PolarHBondContact OG-OE1 3.07Å
410	A	90.6	Very high	95.1	Very high	78 Å²	78	56.6 Å²	56.6	65%	0.645	31%	0.305	S	S	*	.	S	Bend	trans	-59.4	-35.5	-178.5	0	0	0	0	0	113.1	R347 P412	R347-A410 VanDerWaalsContact NH2-C 3.32Å; R347-A410 PolarHBondContact NH2-O 3.11Å; A410-P412 WeakPolarHBondContact O-CD 3.32Å
411	N	90.2	Very high	95.1	Very high	145 Å²	145	55.3 Å²	55.3	78%	0.775	30%	0.299	S	S	*	.	S	Bend	trans	-121.5	78.2	176.4	-68	-55.1	0	0	0	109.3	S409	S409-N411 VanDerWaalsContact C-N 3.26Å; S409-N411 PolarHBondContact O-N 3.3Å
412	P	94.2	Very high	95.1	Very high	17 Å²	17	52.6 Å²	52.6	11%	0.11	29%	0.288	C	S	.	.			trans	-74	141	-165.3	31	-36.1	0	0	0	112.3	R347 V408 S409 A410 E416 M417	R347-P412 HydrophobicContact CB-CG 4.23Å; V408-P412 HydrophobicContact CB-CB 3.85Å; V408-P412 HydrophobicContact CG2-CB 3.65Å; V408-P412 HydrophobicContact CG2-CG 3.94Å; S409-P412 WeakPolarHBondContact O-CD 3.43Å; A410-P412 WeakPolarHBondContact O-CD 3.32Å; P412-E416 HydrophobicContact CB-CB 4.23Å; P412-M417 HydrophobicContact CB-CG 4.06Å; P412-M417 HydrophobicContact CB-SD 4.07Å; P412-M417 HydrophobicContact CG-CG 4.03Å; P412-M417 HydrophobicContact CG-SD 3.88Å
413	S	93.9	Very high	95.1	Very high	50 Å²	50	58.5 Å²	58.5	35%	0.35	31%	0.311	S	S	.	.			trans	-64.6	160.2	168.5	61.5	0	0	0	0	112	E415 E416 M417	S413-E415 PolarHBondContact O-N 3.19Å; S413-E416 VanDerWaalsContact CB-OE2 3.31Å; S413-E416 WeakPolarHBondContact CB-OE2 3.49Å; S413-E416 PolarHBondContact N-OE2 3.48Å; S413-E416 PolarHBondContact O-N 2.77Å; S413-E416 WeakPolarHBondContact OG-CB 3.42Å; S413-E416 WeakPolarHBondContact OG-CG 3.44Å; S413-E416 PolarHBondContact OG-N 3.11Å; S413-E416 VanDerWaalsContact OG-N 3.14Å; S413-E416 PolarHBondContact OG-OE2 2.76Å; S413-M417 PolarHBondContact O-N 2.8Å
414	L	92.9	Very high	95	Very high	83 Å²	83	63.4 Å²	63.4	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-56.6	-39.2	172	-178.2	63.3	0	0	0	111.3	V346 L354 M417 Q418	V346-L414 HydrophobicContact CG1-CD1 4.39Å; L354-L414 HydrophobicContact CD2-CD1 3.61Å; L414-M417 PolarHBondContact O-N 3.24Å; L414-Q418 HydrophobicContact CD1-CG 4.46Å; L414-Q418 HydrophobicContact CG-CG 4.38Å; L414-Q418 WeakPolarHBondContact O-CB 3.44Å; L414-Q418 VanDerWaalsContact O-CG 3.26Å; L414-Q418 WeakPolarHBondContact O-CG 3.36Å; L414-Q418 PolarHBondContact O-N 2.82Å
415	E	94.9	Very high	95	Very high	130 Å²	130	70 Å²	70	61%	0.607	37%	0.366	S	S	*	.	H	α-helix	trans	-69.1	-38.1	179.9	-64.8	177.5	-151.4	0	0	113.5	S413 R419	S413-E415 PolarHBondContact O-N 3.19Å; E415-R419 WeakPolarHBondContact O-CB 3.31Å; E415-R419 PolarHBondContact O-N 3.35Å
416	E	96.1	Very high	95.1	Very high	37 Å²	37	72.3 Å²	72.3	17%	0.173	37%	0.365	C	S	.	.	H	α-helix	trans	-59.2	-47.8	170.7	-82.6	161.9	94.9	0	0	110.9	V408 S409 P412 S413 R419 V420	V408-E416 HydrophobicContact CB-CB 4.23Å; V408-E416 HydrophobicContact CG1-CB 3.91Å; S409-E416 VanDerWaalsContact CB-OE1 3.29Å; S409-E416 WeakPolarHBondContact CB-OE1 3.2Å; S409-E416 PolarHBondContact N-OE1 3.41Å; S409-E416 PolarHBondContact OG-OE1 3.07Å; P412-E416 HydrophobicContact CB-CB 4.23Å; S413-E416 VanDerWaalsContact CB-OE2 3.31Å; S413-E416 WeakPolarHBondContact CB-OE2 3.49Å; S413-E416 PolarHBondContact N-OE2 3.48Å; S413-E416 PolarHBondContact O-N 2.77Å; S413-E416 WeakPolarHBondContact OG-CB 3.42Å; S413-E416 WeakPolarHBondContact OG-CG 3.44Å; S413-E416 PolarHBondContact OG-N 3.11Å; S413-E416 VanDerWaalsContact OG-N 3.14Å; S413-E416 PolarHBondContact OG-OE2 2.76Å; E416-R419 WeakPolarHBondContact O-CB 3.36Å; E416-R419 PolarHBondContact O-N 2.99Å; E416-V420 WeakPolarHBondContact O-CG2 3.38Å; E416-V420 PolarHBondContact O-N 3.37Å
417	M	97.2	Very high	95.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-67.6	-45	-179.5	-68.3	-54.8	-55.9	0	0	112.1	V346 R347 L354 Y404 V408 P412 S413 L414 R419 V420 V421	V346-M417 HydrophobicContact CG1-CB 4.3Å; V346-M417 HydrophobicContact CG1-CG 3.93Å; R347-M417 WeakPolarHBondContact O-CE 3.47Å; L354-M417 HydrophobicContact CD1-CB 4.03Å; L354-M417 HydrophobicContact CD2-CB 3.66Å; Y404-M417 HydrophobicContact CD2-CE 3.74Å; Y404-M417 HydrophobicContact CE2-CE 3.92Å; Y404-M417 HydrophobicContact CG-CE 4.35Å; V408-M417 HydrophobicContact CG1-SD 4.15Å; V408-M417 HydrophobicContact CG2-SD 3.99Å; P412-M417 HydrophobicContact CB-CG 4.06Å; P412-M417 HydrophobicContact CB-SD 4.07Å; P412-M417 HydrophobicContact CG-CG 4.03Å; P412-M417 HydrophobicContact CG-SD 3.88Å; S413-M417 PolarHBondContact O-N 2.8Å; L414-M417 PolarHBondContact O-N 3.24Å; M417-R419 VanDerWaalsContact C-N 3.27Å; M417-R419 PolarHBondContact O-N 3.22Å; M417-V420 PolarHBondContact O-N 2.93Å; M417-V421 HydrophobicContact CE-CG2 3.54Å; M417-V421 VanDerWaalsContact O-CB 3.3Å; M417-V421 WeakPolarHBondContact O-CB 3.44Å; M417-V421 PolarHBondContact O-N 3.22Å
418	Q	96	Very high	95.5	Very high	67 Å²	67	64.8 Å²	64.8	31%	0.313	33%	0.33	S	S	.	.	I	π-helix	trans	-55.3	-42	172.2	-76.5	171	-13.6	0	0	112.1	L354 L414 C422 K423	L354-Q418 HydrophobicContact CB-CG 4.08Å; L354-Q418 WeakPolarHBondContact O-CG 3.23Å; L354-Q418 PolarHBondContact O-NE2 3.47Å; L414-Q418 HydrophobicContact CD1-CG 4.46Å; L414-Q418 HydrophobicContact CG-CG 4.38Å; L414-Q418 WeakPolarHBondContact O-CB 3.44Å; L414-Q418 VanDerWaalsContact O-CG 3.26Å; L414-Q418 WeakPolarHBondContact O-CG 3.36Å; L414-Q418 PolarHBondContact O-N 2.82Å; Q418-C422 WeakPolarHBondContact O-CA 3.3Å; Q418-C422 VanDerWaalsContact O-CB 3.3Å; Q418-C422 WeakPolarHBondContact O-CB 3.28Å; Q418-C422 PolarHBondContact O-N 2.96Å; Q418-C422 VanDerWaalsContact O-N 3.11Å; Q418-K423 PolarHBondContact O-N 3.33Å
419	R	97.3	Very high	95.5	Very high	119 Å²	119	67.2 Å²	67.2	45%	0.449	35%	0.347	S	S	.	.	I	π-helix	trans	-64.8	-44.8	179.2	-170.1	-173.3	-52.5	120.2	7.8	111.8	E415 E416 M417 N424	E415-R419 WeakPolarHBondContact O-CB 3.31Å; E415-R419 PolarHBondContact O-N 3.35Å; E416-R419 WeakPolarHBondContact O-CB 3.36Å; E416-R419 PolarHBondContact O-N 2.99Å; M417-R419 VanDerWaalsContact C-N 3.27Å; M417-R419 PolarHBondContact O-N 3.22Å; R419-N424 VanDerWaalsContact O-CB 3.27Å; R419-N424 WeakPolarHBondContact O-CB 3.34Å; R419-N424 PolarHBondContact O-N 2.86Å; R419-N424 PolarHBondContact O-OD1 3.16Å
420	V	97.4	Very high	95.6	Very high	10 Å²	10	65.2 Å²	65.2	6%	0.061	33%	0.332	C	S	.	.	I	π-helix	trans	-79.8	-50.7	-176.4	173.8	0	0	0	0	112.2	Y404 D407 V408 E416 M417 K425 K426	Y404-V420 HydrophobicContact CD1-CG1 3.72Å; Y404-V420 HydrophobicContact CE1-CG1 4.16Å; D407-V420 HydrophobicContact CB-CG1 4.01Å; D407-V420 HydrophobicContact CB-CG2 4.19Å; V408-V420 HydrophobicContact CG1-CB 4.27Å; V408-V420 HydrophobicContact CG1-CG2 3.65Å; E416-V420 WeakPolarHBondContact O-CG2 3.38Å; E416-V420 PolarHBondContact O-N 3.37Å; M417-V420 PolarHBondContact O-N 2.93Å; V420-K425 PolarHBondContact O-N 3.39Å; V420-K426 HydrophobicContact CG1-CB 3.98Å; V420-K426 HydrophobicContact CG1-CD 4.5Å; V420-K426 WeakPolarHBondContact O-CB 3.29Å; V420-K426 PolarHBondContact O-N 3.06Å
421	V	97.5	Very high	95.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.304	C	S	.	.	I	π-helix	trans	-80.9	-40.6	-172.1	172.9	0	0	0	0	112.6	P351 L354 Y373 Y404 M417 K425 R427 Q455	P351-V421 HydrophobicContact CB-CG1 4.2Å; P351-V421 HydrophobicContact CG-CG1 3.76Å; L354-V421 HydrophobicContact CD1-CB 3.75Å; L354-V421 HydrophobicContact CD1-CG1 3.77Å; L354-V421 HydrophobicContact CD1-CG2 4.22Å; Y373-V421 WeakPolarHBondContact OH-CG1 3.34Å; Y404-V421 HydrophobicContact CE1-CG2 3.86Å; Y404-V421 HydrophobicContact CE2-CG2 3.99Å; M417-V421 HydrophobicContact CE-CG2 3.54Å; M417-V421 VanDerWaalsContact O-CB 3.3Å; M417-V421 WeakPolarHBondContact O-CB 3.44Å; M417-V421 PolarHBondContact O-N 3.22Å; V421-K425 WeakPolarHBondContact O-CA 3.2Å; V421-R427 PolarHBondContact O-NH1 3.15Å; V421-R427 VanDerWaalsContact O-NH1 3.15Å; V421-Q455 PolarHBondContact O-OE1 3.39Å
422	C	96.3	Very high	95.8	Very high	7 Å²	7	60.1 Å²	60.1	5%	0.047	30%	0.298	C	S	.	.	I	π-helix	trans	-99	-57.9	-171.7	-43.5	0	0	0	0	111.8	P351 E355 Q418 K425	P351-C422 VanDerWaalsContact CA-SG 3.6Å; E355-C422 HydrophobicContact CG-CB 3.99Å; E355-C422 WeakPolarHBondContact OE1-CB 3.33Å; Q418-C422 WeakPolarHBondContact O-CA 3.3Å; Q418-C422 VanDerWaalsContact O-CB 3.3Å; Q418-C422 WeakPolarHBondContact O-CB 3.28Å; Q418-C422 PolarHBondContact O-N 2.96Å; Q418-C422 VanDerWaalsContact O-N 3.11Å; C422-K425 VanDerWaalsContact O-CG 3.3Å; C422-K425 WeakPolarHBondContact O-CG 3.34Å
423	K	96.1	Very high	95.5	Very high	170 Å²	170	59.4 Å²	59.4	74%	0.739	29%	0.294	S	S	*	.	I	π-helix	trans	-67.5	-50.4	-178.7	-178.4	-179.7	178	177.9	0	112.3	Q418 K425	Q418-K423 PolarHBondContact O-N 3.33Å; K423-K425 VanDerWaalsContact C-N 3.34Å
424	N	96.8	Very high	95.4	Very high	103 Å²	103	57 Å²	57	55%	0.551	28%	0.277	S	S	*	.	S	Bend	trans	-86.5	-5.8	-178.8	-64.2	-1.5	0	0	0	113	R419 K426	R419-N424 VanDerWaalsContact O-CB 3.27Å; R419-N424 WeakPolarHBondContact O-CB 3.34Å; R419-N424 PolarHBondContact O-N 2.86Å; R419-N424 PolarHBondContact O-OD1 3.16Å; N424-K426 PolarHBondContact O-N 3.19Å
425	K	96.9	Very high	95.3	Very high	141 Å²	141	58.6 Å²	58.6	61%	0.613	28%	0.278	S	S	*	.			trans	48.8	29.8	-177.4	-61.1	-170.6	178.1	-173.4	0	114.4	V420 V421 C422 K423 Q455	V420-K425 PolarHBondContact O-N 3.39Å; V421-K425 WeakPolarHBondContact O-CA 3.2Å; C422-K425 VanDerWaalsContact O-CG 3.3Å; C422-K425 WeakPolarHBondContact O-CG 3.34Å; K423-K425 VanDerWaalsContact C-N 3.34Å; K425-Q455 HydrophobicContact CD-CG 4.34Å
426	K	97	Very high	94.4	Very high	87 Å²	87	55.3 Å²	55.3	38%	0.378	26%	0.26	S	S	.	.			trans	-78.6	152.2	-176.9	-169.3	168	-176.7	-173.5	0	110.9	D407 V420 N424	D407-K426 IonicContact OD1-NZ 3.48Å; D407-K426 PolarHBondContact OD1-NZ 2.96Å; D407-K426 WeakPolarHBondContact OD2-CD 3.25Å; D407-K426 WeakPolarHBondContact OD2-CE 3.26Å; D407-K426 IonicContact OD2-NZ 2.67Å; D407-K426 PolarHBondContact OD2-NZ 3.44Å; V420-K426 HydrophobicContact CG1-CB 3.98Å; V420-K426 HydrophobicContact CG1-CD 4.5Å; V420-K426 WeakPolarHBondContact O-CB 3.29Å; V420-K426 PolarHBondContact O-N 3.06Å; N424-K426 PolarHBondContact O-N 3.19Å
427	R	97.9	Very high	93.2	Very high	36 Å²	36	58.9 Å²	58.9	14%	0.136	29%	0.287	C	S	.	.			trans	-133.1	161.5	169.6	-62.4	-63.7	-176.6	-88.2	-1.4	109.1	Y404 V421 W453	Y404-R427 WeakPolarHBondContact OH-CD 3.36Å; V421-R427 PolarHBondContact O-NH1 3.15Å; V421-R427 VanDerWaalsContact O-NH1 3.15Å; R427-W453 HydrophobicContact CB-CD2 4.21Å; R427-W453 HydrophobicContact CB-CH2 4.36Å; R427-W453 HydrophobicContact CB-CZ2 3.73Å; R427-W453 HydrophobicContact CG-CD2 4.19Å; R427-W453 HydrophobicContact CG-CG 4.14Å; R427-W453 HydrophobicContact CG-CZ2 4.45Å; R427-W453 PolarHBondContact NE-O 2.98Å; R427-W453 PolarHBondContact NH2-O 2.85Å
428	P	97.5	Very high	92.2	Very high	8 Å²	8	66 Å²	66	5%	0.052	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-57	140	174.6	-24.1	34.9	0	0	0	112.2	L377 W380 P403 Y404 W453	L377-P428 HydrophobicContact CD2-CG 3.86Å; W380-P428 HydrophobicContact CD2-CB 3.48Å; W380-P428 VanDerWaalsContact CD2-CB 3.48Å; W380-P428 HydrophobicContact CD2-CG 4.19Å; W380-P428 HydrophobicContact CE3-CB 3.96Å; W380-P428 HydrophobicContact CE3-CG 4.32Å; W380-P428 HydrophobicContact CG-CB 3.91Å; W380-P428 HydrophobicContact CH2-CB 4.17Å; W380-P428 HydrophobicContact CZ2-CB 3.69Å; W380-P428 HydrophobicContact CZ3-CB 4.29Å; P403-P428 HydrophobicContact CB-CG 4.06Å; Y404-P428 HydrophobicContact CD1-CG 4.46Å; Y404-P428 HydrophobicContact CE1-CG 4.27Å; Y404-P428 HydrophobicContact CE2-CG 4.49Å; P428-W453 HydrophobicContact CB-CH2 4.12Å; P428-W453 HydrophobicContact CB-CZ3 4.3Å; P428-W453 HydrophobicContact CG-CH2 4.22Å; P428-W453 HydrophobicContact CG-CZ3 3.98Å
429	S	96	Very high	91.2	Very high	68 Å²	68	65 Å²	65	48%	0.476	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-78.3	137.3	-179.8	55.9	0	0	0	0	111.9	W380	W380-S429 PolarHBondContact NE1-O 3.49Å
430	F	95.3	Very high	90.7	Very high	13 Å²	13	61.6 Å²	61.6	6%	0.057	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-77.8	163.2	174.4	-65	-82.1	0	0	0	112.6	W380 M434 Y435 R446 I449 E450 W453	W380-F430 AromaticContact CD1-CD1 3.92Å; W380-F430 AromaticContact CD1-CE1 3.95Å; F430-M434 HydrophobicContact CB-CB 4.04Å; F430-M434 HydrophobicContact CB-SD 4.22Å; F430-M434 HydrophobicContact CD1-CE 3.65Å; F430-M434 HydrophobicContact CD1-SD 3.87Å; F430-M434 HydrophobicContact CE1-CE 4.05Å; F430-M434 HydrophobicContact CG-CE 4.41Å; F430-M434 HydrophobicContact CG-SD 4.42Å; F430-Y435 HydrophobicContact CB-CE2 3.76Å; F430-Y435 PolarHBondContact N-OH 3.37Å; F430-R446 HydrophobicContact CD1-CG 4.21Å; F430-R446 HydrophobicContact CD2-CG 3.62Å; F430-R446 HydrophobicContact CE1-CG 4.12Å; F430-R446 HydrophobicContact CE2-CG 3.52Å; F430-R446 HydrophobicContact CG-CG 3.97Å; F430-R446 HydrophobicContact CZ-CG 3.78Å; F430-I449 HydrophobicContact CE1-CB 4.04Å; F430-I449 HydrophobicContact CE1-CD1 4Å; F430-I449 HydrophobicContact CE1-CG2 3.87Å; F430-I449 HydrophobicContact CZ-CB 3.91Å; F430-I449 HydrophobicContact CZ-CG2 3.66Å; F430-E450 HydrophobicContact CE2-CG 3.78Å; F430-E450 WeakPolarHBondContact CE2-OE1 3.17Å; F430-E450 HydrophobicContact CZ-CG 4.08Å; F430-W453 HydrophobicContact CE1-CH2 4.25Å; F430-W453 HydrophobicContact CE1-CZ2 4.46Å; F430-W453 HydrophobicContact CE2-CH2 4.06Å; F430-W453 AromaticContact CE2-CZ2 3.58Å; F430-W453 HydrophobicContact CE2-CZ2 3.58Å; F430-W453 AromaticContact CZ-CH2 3.66Å; F430-W453 HydrophobicContact CZ-CH2 3.66Å; F430-W453 AromaticContact CZ-CZ2 3.46Å; F430-W453 HydrophobicContact CZ-CZ2 3.46Å; F430-W453 VanDerWaalsContact CZ-CZ2 3.46Å
431	P	92.9	Very high	90.3	Very high	8 Å²	8	61.7 Å²	61.7	5%	0.052	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-56.4	145.3	163.4	-21.6	32	0	0	0	112	V389 Y390 A433 M434	V389-P431 HydrophobicContact CG1-CB 3.8Å; V389-P431 HydrophobicContact CG1-CG 3.88Å; Y390-P431 HydrophobicContact CD1-CB 4.36Å; Y390-P431 HydrophobicContact CE1-CB 3.91Å; Y390-P431 HydrophobicContact CE1-CG 4.11Å; Y390-P431 HydrophobicContact CE2-CB 4.4Å; Y390-P431 HydrophobicContact CE2-CG 3.94Å; P431-A433 PolarHBondContact O-N 3.02Å; P431-M434 HydrophobicContact CG-SD 4.25Å; P431-M434 PolarHBondContact O-N 2.89Å
432	T	91.2	Very high	90	Very high	109 Å²	109	61.9 Å²	61.9	67%	0.669	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-56	-31.1	-175.3	-46.3	0	0	0	0	113.7	M434 Y435	T432-M434 PolarHBondContact O-N 3.48Å; T432-Y435 PolarHBondContact O-N 3.02Å; T432-Y435 VanDerWaalsContact O-N 3.16Å
433	A	88.4	Confident	89.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-64.3	-21.4	177.6	0	0	0	0	0	113.9	V389 L392 N393 P431 Y435 R436 L442	V389-A433 HydrophobicContact CG1-CB 4.41Å; V389-A433 WeakPolarHBondContact O-CB 3.49Å; L392-A433 HydrophobicContact CB-CB 4.22Å; N393-A433 PolarHBondContact ND2-N 3.34Å; P431-A433 PolarHBondContact O-N 3.02Å; A433-Y435 VanDerWaalsContact C-N 3.31Å; A433-R436 WeakPolarHBondContact O-CD 3.41Å; A433-R436 WeakPolarHBondContact O-CG 3.12Å; A433-L442 HydrophobicContact CB-CD1 3.93Å
434	M	92	Very high	89.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-84.7	-2.3	177.4	-60.9	-179.9	67.1	0	0	113.3	V383 V389 F430 P431 T432 R436 L442 L445 R446	V383-M434 HydrophobicContact CG1-CE 3.97Å; V383-M434 HydrophobicContact CG1-SD 3.44Å; V383-M434 WeakPolarHBondContact CG1-SD 3.18Å; V389-M434 HydrophobicContact CG1-CG 3.88Å; V389-M434 HydrophobicContact CG1-SD 4.07Å; F430-M434 HydrophobicContact CB-CB 4.04Å; F430-M434 HydrophobicContact CB-SD 4.22Å; F430-M434 HydrophobicContact CD1-CE 3.65Å; F430-M434 HydrophobicContact CD1-SD 3.87Å; F430-M434 HydrophobicContact CE1-CE 4.05Å; F430-M434 HydrophobicContact CG-CE 4.41Å; F430-M434 HydrophobicContact CG-SD 4.42Å; P431-M434 HydrophobicContact CG-SD 4.25Å; P431-M434 PolarHBondContact O-N 2.89Å; T432-M434 PolarHBondContact O-N 3.48Å; M434-R436 VanDerWaalsContact C-N 3.34Å; M434-L442 HydrophobicContact CG-CB 4.25Å; M434-L442 HydrophobicContact CG-CD2 4.45Å; M434-L445 HydrophobicContact CE-CB 4.24Å; M434-L445 HydrophobicContact CE-CD2 4.29Å; M434-L445 HydrophobicContact CE-CG 3.99Å; M434-R446 HydrophobicContact CB-CB 4.4Å; M434-R446 HydrophobicContact CE-CB 3.71Å; M434-R446 HydrophobicContact CE-CG 4.33Å; M434-R446 WeakPolarHBondContact O-CD 3.42Å
435	Y	90.1	Very high	89.6	Confident	116 Å²	116	52.8 Å²	52.8	46%	0.455	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-96.1	18	170.2	-63.3	-87.1	0	0	0	112.7	F430 T432 A433	F430-Y435 HydrophobicContact CB-CE2 3.76Å; F430-Y435 PolarHBondContact N-OH 3.37Å; T432-Y435 PolarHBondContact O-N 3.02Å; T432-Y435 VanDerWaalsContact O-N 3.16Å; A433-Y435 VanDerWaalsContact C-N 3.31Å
436	R	77.1	Confident	89.5	Confident	61 Å²	61	48.4 Å²	48.4	23%	0.23	27%	0.267	C	S	.	.	S	Bend	trans	-61.1	160.4	171	-79.1	175.3	-173.7	-155.5	1.3	111.7	L392 N393 A433 M434 D481 P482	L392-R436 PolarHBondContact O-NH2 3.06Å; N393-R436 PolarHBondContact OD1-NH2 3.49Å; N393-R436 VanDerWaalsContact OD1-NH2 3.15Å; A433-R436 WeakPolarHBondContact O-CD 3.41Å; A433-R436 WeakPolarHBondContact O-CG 3.12Å; M434-R436 VanDerWaalsContact C-N 3.34Å; R436-D481 PolarHBondContact NH1-O 3.05Å; R436-P482 PolarHBondContact NH1-O 3.35Å
437	P	70.3	Confident	89.5	Confident	112 Å²	112	47.1 Å²	47.1	73%	0.727	26%	0.262	S	S	*	.	S	Bend	trans	-53.6	158.1	176.8	-26.3	35.7	0	0	0	113.2	G439	P437-G439 PolarHBondContact O-N 3.43Å; P437-G439 VanDerWaalsContact O-N 3.12Å
438	K	76.2	Confident	89.5	Confident	150 Å²	150	45.4 Å²	45.4	65%	0.652	26%	0.255	S	S	*	.	S	Bend	trans	-55.4	117.2	-176.6	-67.8	-158.4	168.9	-162.9	0	112.1	Y443	K438-Y443 HydrophobicContact CB-CD2 4.48Å; K438-Y443 HydrophobicContact CB-CE2 4.15Å; K438-Y443 HydrophobicContact CD-CE2 4.4Å; K438-Y443 WeakPolarHBondContact CE-OH 3.46Å; K438-Y443 HydrophobicContact CG-CD2 4.4Å; K438-Y443 HydrophobicContact CG-CE2 3.68Å
439	G	75.8	Confident	89.5	Confident	45 Å²	45	45 Å²	45	46%	0.464	25%	0.253	S	S	.	.			trans	135.4	161.2	177.6	0	0	0	0	0	113.2	P437 Y443	P437-G439 PolarHBondContact O-N 3.43Å; P437-G439 VanDerWaalsContact O-N 3.12Å; G439-Y443 VanDerWaalsContact O-CB 3.24Å; G439-Y443 WeakPolarHBondContact O-CB 3.3Å
440	G	85.5	Confident	89.6	Confident	47 Å²	47	44.8 Å²	44.8	49%	0.485	24%	0.244	S	C	.	.	H	α-helix	trans	75.5	168.4	-179.4	0	0	0	0	0	114.7	L442 Y443 T444	G440-L442 PolarHBondContact O-N 3.42Å; G440-Y443 PolarHBondContact O-N 3.08Å; G440-T444 PolarHBondContact O-N 2.9Å; G440-T444 PolarHBondContact O-OG1 3.26Å
441	P	89.5	Confident	89.7	Confident	12 Å²	12	44.6 Å²	44.6	8%	0.078	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-37	-168	24.5	-35.3	0	0	0	113.7	W266 Y443 T444 L445 L473 I476 P479	W266-P441 HydrophobicContact CH2-CB 4.04Å; W266-P441 HydrophobicContact CZ2-CB 3.88Å; W266-P441 HydrophobicContact CZ2-CG 4.5Å; P441-Y443 VanDerWaalsContact C-N 3.33Å; P441-Y443 PolarHBondContact O-N 3Å; P441-T444 PolarHBondContact O-N 3.31Å; P441-L445 VanDerWaalsContact O-CB 3.3Å; P441-L445 WeakPolarHBondContact O-CB 3.27Å; P441-L445 PolarHBondContact O-N 2.94Å; P441-L473 VanDerWaalsContact CA-CD1 3.49Å; P441-L473 HydrophobicContact CB-CD1 3.43Å; P441-L473 VanDerWaalsContact CB-CD1 3.43Å; P441-L473 WeakPolarHBondContact O-CD1 3.44Å; P441-I476 HydrophobicContact CB-CB 4.43Å; P441-I476 HydrophobicContact CB-CG2 4.26Å; P441-I476 HydrophobicContact CG-CG2 4.09Å; P441-P479 HydrophobicContact CG-CG 3.64Å
442	L	91.6	Very high	90	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-36.5	178.5	-65.4	-171.1	0	0	0	113	W266 V389 L392 A433 M434 G440 R446	W266-L442 HydrophobicContact CH2-CD2 3.99Å; W266-L442 HydrophobicContact CZ3-CD2 3.54Å; V389-L442 HydrophobicContact CG1-CD2 4.29Å; V389-L442 HydrophobicContact CG2-CD2 3.94Å; L392-L442 HydrophobicContact CD1-CD1 3.72Å; A433-L442 HydrophobicContact CB-CD1 3.93Å; M434-L442 HydrophobicContact CG-CB 4.25Å; M434-L442 HydrophobicContact CG-CD2 4.45Å; G440-L442 PolarHBondContact O-N 3.42Å; L442-R446 WeakPolarHBondContact O-CB 3.27Å; L442-R446 PolarHBondContact O-N 3.44Å; L442-R446 VanDerWaalsContact O-N 3.11Å
443	Y	91.7	Very high	90.4	Very high	37 Å²	37	39.5 Å²	39.5	15%	0.145	21%	0.211	C	C	.	.	H	α-helix	trans	-67.6	-48.2	174.5	174.8	-89	0	0	0	110.6	K438 G439 G440 P441 L445 R446 E447	K438-Y443 HydrophobicContact CB-CD2 4.48Å; K438-Y443 HydrophobicContact CB-CE2 4.15Å; K438-Y443 HydrophobicContact CD-CE2 4.4Å; K438-Y443 WeakPolarHBondContact CE-OH 3.46Å; K438-Y443 HydrophobicContact CG-CD2 4.4Å; K438-Y443 HydrophobicContact CG-CE2 3.68Å; G439-Y443 VanDerWaalsContact O-CB 3.24Å; G439-Y443 WeakPolarHBondContact O-CB 3.3Å; G440-Y443 PolarHBondContact O-N 3.08Å; P441-Y443 VanDerWaalsContact C-N 3.33Å; P441-Y443 PolarHBondContact O-N 3Å; Y443-L445 VanDerWaalsContact C-N 3.34Å; Y443-L445 PolarHBondContact O-N 2.88Å; Y443-R446 WeakPolarHBondContact O-CB 3.43Å; Y443-R446 PolarHBondContact O-N 3.16Å; Y443-E447 HydrophobicContact CE1-CB 4.4Å; Y443-E447 WeakPolarHBondContact CE1-OE2 3.31Å; Y443-E447 WeakPolarHBondContact O-CB 3.39Å; Y443-E447 PolarHBondContact O-N 3.02Å; Y443-E447 PolarHBondContact OH-OE2 3.41Å
444	T	92.9	Very high	90.8	Very high	51 Å²	51	41.5 Å²	41.5	31%	0.313	22%	0.222	S	C	.	.	H	α-helix	trans	-61.5	-40.3	179.3	-57.4	0	0	0	0	112.3	G440 P441 E447 L448 L473	G440-T444 PolarHBondContact O-N 2.9Å; G440-T444 PolarHBondContact O-OG1 3.26Å; P441-T444 PolarHBondContact O-N 3.31Å; T444-E447 PolarHBondContact O-N 3.18Å; T444-L448 VanDerWaalsContact O-CB 3.3Å; T444-L448 WeakPolarHBondContact O-CB 3.47Å; T444-L448 PolarHBondContact O-N 3.11Å; T444-L473 HydrophobicContact CG2-CD1 4.45Å
445	L	95.1	Very high	91	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-41.8	174.7	-178.3	51.9	0	0	0	112	W266 M269 V383 M434 P441 Y443 I449 L470 L473	W266-L445 HydrophobicContact CH2-CD2 3.97Å; W266-L445 HydrophobicContact CZ3-CD2 4Å; M269-L445 HydrophobicContact CE-CD2 3.83Å; M269-L445 HydrophobicContact SD-CD2 4.14Å; V383-L445 HydrophobicContact CG1-CD2 4.44Å; V383-L445 HydrophobicContact CG2-CD1 4.22Å; V383-L445 HydrophobicContact CG2-CD2 3.82Å; V383-L445 HydrophobicContact CG2-CG 4.2Å; M434-L445 HydrophobicContact CE-CB 4.24Å; M434-L445 HydrophobicContact CE-CD2 4.29Å; M434-L445 HydrophobicContact CE-CG 3.99Å; P441-L445 VanDerWaalsContact O-CB 3.3Å; P441-L445 WeakPolarHBondContact O-CB 3.27Å; P441-L445 PolarHBondContact O-N 2.94Å; Y443-L445 VanDerWaalsContact C-N 3.34Å; Y443-L445 PolarHBondContact O-N 2.88Å; L445-I449 HydrophobicContact CD1-CD1 4.04Å; L445-I449 HydrophobicContact CG-CD1 4.34Å; L445-I449 WeakPolarHBondContact O-CG1 3.3Å; L445-I449 PolarHBondContact O-N 2.64Å; L445-I449 VanDerWaalsContact O-N 3.16Å; L445-L470 HydrophobicContact CD1-CD2 4.06Å; L445-L473 HydrophobicContact CB-CD2 3.67Å; L445-L473 HydrophobicContact CD1-CD2 3.7Å; L445-L473 HydrophobicContact CD2-CD2 4.36Å; L445-L473 HydrophobicContact CG-CD2 4.09Å
446	R	96.2	Very high	91.3	Very high	49 Å²	49	41.6 Å²	41.6	19%	0.185	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-49.7	175.8	-169.2	179.9	148.5	-132	-21.4	111.3	F430 M434 L442 Y443 L448 I449 E450	F430-R446 HydrophobicContact CD1-CG 4.21Å; F430-R446 HydrophobicContact CD2-CG 3.62Å; F430-R446 HydrophobicContact CE1-CG 4.12Å; F430-R446 HydrophobicContact CE2-CG 3.52Å; F430-R446 HydrophobicContact CG-CG 3.97Å; F430-R446 HydrophobicContact CZ-CG 3.78Å; M434-R446 HydrophobicContact CB-CB 4.4Å; M434-R446 HydrophobicContact CE-CB 3.71Å; M434-R446 HydrophobicContact CE-CG 4.33Å; M434-R446 WeakPolarHBondContact O-CD 3.42Å; L442-R446 WeakPolarHBondContact O-CB 3.27Å; L442-R446 PolarHBondContact O-N 3.44Å; L442-R446 VanDerWaalsContact O-N 3.11Å; Y443-R446 WeakPolarHBondContact O-CB 3.43Å; Y443-R446 PolarHBondContact O-N 3.16Å; R446-L448 VanDerWaalsContact C-N 3.3Å; R446-L448 PolarHBondContact O-N 3.17Å; R446-I449 PolarHBondContact O-N 2.88Å; R446-E450 HydrophobicContact CG-CG 4.39Å; R446-E450 IonicContact CZ-OE1 2.68Å; R446-E450 IonicContact CZ-OE2 3.4Å; R446-E450 IonicContact NE-OE1 2.69Å; R446-E450 PolarHBondContact NE-OE1 3.49Å; R446-E450 IonicContact NE-OE2 2.7Å; R446-E450 PolarHBondContact NE-OE2 3.18Å; R446-E450 VanDerWaalsContact NH2-CD 3.34Å; R446-E450 IonicContact NH2-OE1 2.82Å; R446-E450 PolarHBondContact NH2-OE1 2.97Å; R446-E450 IonicContact NH2-OE2 3.23Å; R446-E450 PolarHBondContact NH2-OE2 2.74Å; R446-E450 VanDerWaalsContact NH2-OE2 3.07Å; R446-E450 WeakPolarHBondContact O-CB 3.4Å; R446-E450 WeakPolarHBondContact O-CG 3.22Å; R446-E450 PolarHBondContact O-N 2.86Å
447	E	96	Very high	92.1	Very high	60 Å²	60	39.9 Å²	39.9	28%	0.28	23%	0.226	S	C	.	.	H	α-helix	trans	-59.6	-41.3	179.8	-166.9	179.4	91.5	0	0	110.9	Y443 T444 I449 E450 D451 R469	Y443-E447 HydrophobicContact CE1-CB 4.4Å; Y443-E447 WeakPolarHBondContact CE1-OE2 3.31Å; Y443-E447 WeakPolarHBondContact O-CB 3.39Å; Y443-E447 PolarHBondContact O-N 3.02Å; Y443-E447 PolarHBondContact OH-OE2 3.41Å; T444-E447 PolarHBondContact O-N 3.18Å; E447-I449 PolarHBondContact O-N 3.39Å; E447-E450 PolarHBondContact O-N 3.09Å; E447-D451 WeakPolarHBondContact O-CB 3.49Å; E447-D451 PolarHBondContact O-N 2.86Å; E447-R469 IonicContact OE1-NH2 3.64Å; E447-R469 PolarHBondContact OE1-NH2 2.97Å
448	L	97.6	Very high	93.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-45.7	174.9	-172.2	164.5	0	0	0	112.6	L379 T444 R446 D451 C452 I461 A466 R469 L470	L379-L448 HydrophobicContact CD1-CD2 3.95Å; T444-L448 VanDerWaalsContact O-CB 3.3Å; T444-L448 WeakPolarHBondContact O-CB 3.47Å; T444-L448 PolarHBondContact O-N 3.11Å; R446-L448 VanDerWaalsContact C-N 3.3Å; R446-L448 PolarHBondContact O-N 3.17Å; L448-D451 PolarHBondContact O-N 3.46Å; L448-C452 PolarHBondContact O-N 2.65Å; L448-C452 PolarHBondContact O-SG 2.89Å; L448-I461 HydrophobicContact CG-CD1 4.29Å; L448-A466 HydrophobicContact CD2-CB 4.39Å; L448-R469 HydrophobicContact CD1-CB 3.48Å; L448-R469 VanDerWaalsContact CD1-CB 3.48Å; L448-R469 HydrophobicContact CG-CB 4.35Å; L448-L470 HydrophobicContact CD1-CB 4.49Å; L448-L470 HydrophobicContact CD1-CD2 4.03Å; L448-L470 HydrophobicContact CD1-CG 3.72Å; L448-L470 HydrophobicContact CD2-CG 4.26Å
449	I	98.4	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.4	-38	178.2	-65.9	169.1	0	0	0	110.8	G376 L379 W380 V383 F430 L445 R446 E447 D451 C452 W453	G376-I449 WeakPolarHBondContact O-CG2 3.44Å; L379-I449 HydrophobicContact CB-CD1 3.96Å; L379-I449 HydrophobicContact CB-CG1 3.84Å; L379-I449 HydrophobicContact CD1-CG1 4.38Å; W380-I449 HydrophobicContact CB-CG2 4.31Å; V383-I449 HydrophobicContact CG2-CD1 4Å; F430-I449 HydrophobicContact CE1-CB 4.04Å; F430-I449 HydrophobicContact CE1-CD1 4Å; F430-I449 HydrophobicContact CE1-CG2 3.87Å; F430-I449 HydrophobicContact CZ-CB 3.91Å; F430-I449 HydrophobicContact CZ-CG2 3.66Å; L445-I449 HydrophobicContact CD1-CD1 4.04Å; L445-I449 HydrophobicContact CG-CD1 4.34Å; L445-I449 WeakPolarHBondContact O-CG1 3.3Å; L445-I449 PolarHBondContact O-N 2.64Å; L445-I449 VanDerWaalsContact O-N 3.16Å; R446-I449 PolarHBondContact O-N 2.88Å; E447-I449 PolarHBondContact O-N 3.39Å; I449-D451 VanDerWaalsContact C-N 3.3Å; I449-D451 PolarHBondContact O-N 3.5Å; I449-C452 PolarHBondContact O-N 2.78Å; I449-W453 HydrophobicContact CG2-CD2 4.07Å; I449-W453 HydrophobicContact CG2-CE3 3.79Å; I449-W453 HydrophobicContact CG2-CH2 3.76Å; I449-W453 HydrophobicContact CG2-CZ2 4.02Å; I449-W453 HydrophobicContact CG2-CZ3 3.64Å; I449-W453 PolarHBondContact O-N 2.56Å
450	E	98.1	Very high	95.3	Very high	62 Å²	62	32.3 Å²	32.3	29%	0.29	18%	0.181	S	C	.	.	H	α-helix	trans	-63.3	-35.7	173.9	-72.3	178.5	163.7	0	0	112.2	F430 R446 E447 D454	F430-E450 HydrophobicContact CE2-CG 3.78Å; F430-E450 WeakPolarHBondContact CE2-OE1 3.17Å; F430-E450 HydrophobicContact CZ-CG 4.08Å; R446-E450 HydrophobicContact CG-CG 4.39Å; R446-E450 IonicContact CZ-OE1 2.68Å; R446-E450 IonicContact CZ-OE2 3.4Å; R446-E450 IonicContact NE-OE1 2.69Å; R446-E450 PolarHBondContact NE-OE1 3.49Å; R446-E450 IonicContact NE-OE2 2.7Å; R446-E450 PolarHBondContact NE-OE2 3.18Å; R446-E450 VanDerWaalsContact NH2-CD 3.34Å; R446-E450 IonicContact NH2-OE1 2.82Å; R446-E450 PolarHBondContact NH2-OE1 2.97Å; R446-E450 IonicContact NH2-OE2 3.23Å; R446-E450 PolarHBondContact NH2-OE2 2.74Å; R446-E450 VanDerWaalsContact NH2-OE2 3.07Å; R446-E450 WeakPolarHBondContact O-CB 3.4Å; R446-E450 WeakPolarHBondContact O-CG 3.22Å; R446-E450 PolarHBondContact O-N 2.86Å; E447-E450 PolarHBondContact O-N 3.09Å; E450-D454 PolarHBondContact O-N 3.24Å
451	D	98.3	Very high	95.9	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.048	16%	0.164	C	C	.	.	H	α-helix	trans	-73	-28.8	173.4	-65.1	-21.1	0	0	0	113.4	E447 L448 I449 R460 I461 R469 R554	E447-D451 WeakPolarHBondContact O-CB 3.49Å; E447-D451 PolarHBondContact O-N 2.86Å; L448-D451 PolarHBondContact O-N 3.46Å; I449-D451 VanDerWaalsContact C-N 3.3Å; I449-D451 PolarHBondContact O-N 3.5Å; D451-R460 VanDerWaalsContact O-CA 3.27Å; D451-R460 WeakPolarHBondContact O-CA 3.48Å; D451-I461 HydrophobicContact CB-CD1 4.1Å; D451-I461 HydrophobicContact CB-CG1 4.05Å; D451-I461 HydrophobicContact CB-CG2 3.98Å; D451-I461 PolarHBondContact O-N 2.7Å; D451-R469 IonicContact OD2-CZ 3.29Å; D451-R469 IonicContact OD2-NH1 2.81Å; D451-R469 PolarHBondContact OD2-NH1 3.33Å; D451-R469 IonicContact OD2-NH2 2.79Å; D451-R469 PolarHBondContact OD2-NH2 3.25Å; D451-R554 IonicContact OD1-CZ 3.78Å; D451-R554 IonicContact OD1-NH1 3.93Å; D451-R554 PolarHBondContact OD1-NH1 3.1Å; D451-R554 IonicContact OD1-NH2 2.86Å; D451-R554 PolarHBondContact OD1-NH2 3.32Å; D451-R554 IonicContact OD2-NH1 3.51Å
452	C	98.7	Very high	96.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.3	-39.1	173.6	-76.6	0	0	0	0	112.1	V372 Y373 L448 I449 R460	V372-C452 HydrophobicContact CG1-CB 4.13Å; Y373-C452 WeakPolarHBondContact CA-O 3.48Å; L448-C452 PolarHBondContact O-N 2.65Å; L448-C452 PolarHBondContact O-SG 2.89Å; I449-C452 PolarHBondContact O-N 2.78Å; C452-R460 WeakPolarHBondContact O-CD 3.5Å; C452-R460 WeakPolarHBondContact O-CG 3.44Å
453	W	98.2	Very high	96.7	Very high	11 Å²	11	34.3 Å²	34.3	4%	0.042	18%	0.183	C	C	.	.	S	Bend	trans	-103.9	20.6	-172	69.4	24	0	0	0	115.3	Y373 L377 W380 R427 P428 F430 I449	Y373-W453 HydrophobicContact CD2-CB 3.87Å; Y373-W453 HydrophobicContact CE2-CB 4.07Å; L377-W453 HydrophobicContact CD2-CE3 3.71Å; L377-W453 HydrophobicContact CD2-CZ3 4.04Å; L377-W453 HydrophobicContact CG-CE3 4.4Å; W380-W453 HydrophobicContact CB-CH2 3.97Å; W380-W453 HydrophobicContact CB-CZ3 3.57Å; W380-W453 AromaticContact CD1-CH2 3.8Å; W380-W453 AromaticContact CG-CH2 3.98Å; W380-W453 HydrophobicContact CG-CH2 3.98Å; W380-W453 AromaticContact CG-CZ3 3.96Å; W380-W453 HydrophobicContact CG-CZ3 3.96Å; R427-W453 HydrophobicContact CB-CD2 4.21Å; R427-W453 HydrophobicContact CB-CH2 4.36Å; R427-W453 HydrophobicContact CB-CZ2 3.73Å; R427-W453 HydrophobicContact CG-CD2 4.19Å; R427-W453 HydrophobicContact CG-CG 4.14Å; R427-W453 HydrophobicContact CG-CZ2 4.45Å; R427-W453 PolarHBondContact NE-O 2.98Å; R427-W453 PolarHBondContact NH2-O 2.85Å; P428-W453 HydrophobicContact CB-CH2 4.12Å; P428-W453 HydrophobicContact CB-CZ3 4.3Å; P428-W453 HydrophobicContact CG-CH2 4.22Å; P428-W453 HydrophobicContact CG-CZ3 3.98Å; F430-W453 HydrophobicContact CE1-CH2 4.25Å; F430-W453 HydrophobicContact CE1-CZ2 4.46Å; F430-W453 HydrophobicContact CE2-CH2 4.06Å; F430-W453 AromaticContact CE2-CZ2 3.58Å; F430-W453 HydrophobicContact CE2-CZ2 3.58Å; F430-W453 AromaticContact CZ-CH2 3.66Å; F430-W453 HydrophobicContact CZ-CH2 3.66Å; F430-W453 AromaticContact CZ-CZ2 3.46Å; F430-W453 HydrophobicContact CZ-CZ2 3.46Å; F430-W453 VanDerWaalsContact CZ-CZ2 3.46Å; I449-W453 HydrophobicContact CG2-CD2 4.07Å; I449-W453 HydrophobicContact CG2-CE3 3.79Å; I449-W453 HydrophobicContact CG2-CH2 3.76Å; I449-W453 HydrophobicContact CG2-CZ2 4.02Å; I449-W453 HydrophobicContact CG2-CZ3 3.64Å; I449-W453 PolarHBondContact O-N 2.56Å
454	D	98.3	Very high	97	Very high	43 Å²	43	36.8 Å²	36.8	23%	0.23	20%	0.198	C	C	.	.			trans	-52.1	148.2	-179.1	-155.2	-43.9	0	0	0	111.6	E450 D456 A459 R460 R554	E450-D454 PolarHBondContact O-N 3.24Å; D454-D456 VanDerWaalsContact C-N 3.31Å; D454-D456 PolarHBondContact OD1-N 3.43Å; D454-A459 HydrophobicContact CB-CB 4.22Å; D454-R460 HydrophobicContact CB-CG 3.89Å; D454-R460 PolarHBondContact O-NE 3.3Å; D454-R460 PolarHBondContact O-NH2 3.4Å; D454-R460 VanDerWaalsContact O-NH2 3.1Å; D454-R554 IonicContact OD2-NH2 2.86Å; D454-R554 PolarHBondContact OD2-NH2 3.44Å
455	Q	96.1	Very high	97.2	Very high	51 Å²	51	36.1 Å²	36.1	24%	0.238	20%	0.195	C	C	.	.	S	Bend	trans	-67.7	-33.3	-179.6	-174.4	64.8	23.1	0	0	111.7	P351 V421 K425	P351-Q455 VanDerWaalsContact CG-OE1 3.3Å; V421-Q455 PolarHBondContact O-OE1 3.39Å; K425-Q455 HydrophobicContact CD-CG 4.34Å
456	D	95.4	Very high	97.4	Very high	67 Å²	67	36 Å²	36	36%	0.358	20%	0.195	S	C	.	.	S	Bend	trans	-90.3	126.9	172.6	-172.5	-9.4	0	0	0	109.9	D454 D458 A459 R561	D454-D456 VanDerWaalsContact C-N 3.31Å; D454-D456 PolarHBondContact OD1-N 3.43Å; D456-D458 VanDerWaalsContact C-N 3.25Å; D456-D458 PolarHBondContact O-N 3.41Å; D456-D458 WeakPolarHBondContact OD1-CB 3.39Å; D456-D458 PolarHBondContact OD1-N 3.28Å; D456-A459 HydrophobicContact CB-CB 3.97Å; D456-A459 PolarHBondContact O-N 3.3Å; D456-R561 IonicContact OD2-NH1 3.41Å
457	S	95	Very high	97.5	Very high	26 Å²	26	35.9 Å²	35.9	18%	0.182	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.5	175.8	52.4	0	0	0	0	113.1	Q369 A459	Q369-S457 WeakPolarHBondContact CG-O 3.2Å; Q369-S457 PolarHBondContact NE2-O 3.09Å; S457-A459 VanDerWaalsContact C-N 3.29Å
458	D	93.6	Very high	97.5	Very high	98 Å²	98	37.8 Å²	37.8	52%	0.524	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.1	175.2	-72.1	5.8	0	0	0	112.2	D456 R561	D456-D458 VanDerWaalsContact C-N 3.25Å; D456-D458 PolarHBondContact O-N 3.41Å; D456-D458 WeakPolarHBondContact OD1-CB 3.39Å; D456-D458 PolarHBondContact OD1-N 3.28Å; D458-R561 IonicContact OD2-CZ 3.51Å; D458-R561 VanDerWaalsContact OD2-CZ 3.29Å; D458-R561 IonicContact OD2-NH1 3.56Å; D458-R561 PolarHBondContact OD2-NH1 3.11Å; D458-R561 IonicContact OD2-NH2 2.77Å; D458-R561 PolarHBondContact OD2-NH2 3.42Å
459	A	97	Very high	97.5	Very high	40 Å²	40	40 Å²	40	33%	0.331	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.3	-175.9	0	0	0	0	0	113.3	D454 D456 S457	D454-A459 HydrophobicContact CB-CB 4.22Å; D456-A459 HydrophobicContact CB-CB 3.97Å; D456-A459 PolarHBondContact O-N 3.3Å; S457-A459 VanDerWaalsContact C-N 3.29Å
460	R	98.2	Very high	97.4	Very high	9 Å²	9	40 Å²	40	3%	0.034	21%	0.213	C	C	.	.	S	Bend	trans	-74.6	137.3	-179.1	-67.3	176.2	-158.7	143.5	18.5	112.1	E352 Q369 V372 D451 C452 D454	E352-R460 IonicContact OE1-CZ 2.79Å; E352-R460 IonicContact OE1-NH1 2.64Å; E352-R460 PolarHBondContact OE1-NH1 2.65Å; E352-R460 IonicContact OE1-NH2 2.76Å; E352-R460 PolarHBondContact OE1-NH2 3.48Å; E352-R460 IonicContact OE2-CZ 2.88Å; E352-R460 IonicContact OE2-NH1 2.64Å; E352-R460 IonicContact OE2-NH2 2.78Å; E352-R460 PolarHBondContact OE2-NH2 3.23Å; Q369-R460 PolarHBondContact NE2-O 3.41Å; Q369-R460 PolarHBondContact O-NH1 3.29Å; V372-R460 HydrophobicContact CG1-CB 4.27Å; D451-R460 VanDerWaalsContact O-CA 3.27Å; D451-R460 WeakPolarHBondContact O-CA 3.48Å; C452-R460 WeakPolarHBondContact O-CD 3.5Å; C452-R460 WeakPolarHBondContact O-CG 3.44Å; D454-R460 HydrophobicContact CB-CG 3.89Å; D454-R460 PolarHBondContact O-NE 3.3Å; D454-R460 PolarHBondContact O-NH2 3.4Å; D454-R460 VanDerWaalsContact O-NH2 3.1Å
461	I	98.2	Very high	97.2	Very high	26 Å²	26	39.2 Å²	39.2	13%	0.133	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-65.6	157	173	56.1	172.2	0	0	0	111.9	V372 L448 D451 C465 A466	V372-I461 VanDerWaalsContact CG1-O 3.24Å; V372-I461 WeakPolarHBondContact CG1-O 3.33Å; L448-I461 HydrophobicContact CG-CD1 4.29Å; D451-I461 HydrophobicContact CB-CD1 4.1Å; D451-I461 HydrophobicContact CB-CG1 4.05Å; D451-I461 HydrophobicContact CB-CG2 3.98Å; D451-I461 PolarHBondContact O-N 2.7Å; I461-C465 HydrophobicContact CB-CB 4.21Å; I461-A466 HydrophobicContact CD1-CB 3.8Å; I461-A466 HydrophobicContact CG1-CB 4.44Å
462	T	98.5	Very high	96.9	Very high	79 Å²	79	45.3 Å²	45.3	49%	0.485	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-73.5	156.3	172.8	64.2	0	0	0	0	111.2	L464 C465 A466	T462-L464 PolarHBondContact O-N 3.16Å; T462-C465 PolarHBondContact O-N 3.11Å; T462-C465 WeakPolarHBondContact OG1-CB 3.29Å; T462-C465 PolarHBondContact OG1-N 3.47Å; T462-C465 VanDerWaalsContact OG1-N 3.15Å; T462-A466 PolarHBondContact O-N 2.96Å
463	A	98.5	Very high	96.6	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-32.1	174	0	0	0	0	0	112.9	V280 A281 V372 Q467	V280-A463 HydrophobicContact CB-CB 4.16Å; V280-A463 HydrophobicContact CG1-CB 3.69Å; A281-A463 HydrophobicContact CB-CB 4.34Å; V372-A463 HydrophobicContact CG2-CB 4.26Å; A463-Q467 WeakPolarHBondContact O-CB 3.44Å; A463-Q467 PolarHBondContact O-N 2.87Å
464	L	98.2	Very high	96.1	Very high	88 Å²	88	46.8 Å²	46.8	46%	0.461	26%	0.257	S	S	.	.	H	α-helix	trans	-63.6	-50.7	171.7	178.8	61.7	0	0	0	111.4	T462 A466 Q467 E468	T462-L464 PolarHBondContact O-N 3.16Å; L464-A466 VanDerWaalsContact C-N 3.28Å; L464-A466 PolarHBondContact O-N 3.41Å; L464-Q467 CarbonylContact O-C 3.35Å; L464-Q467 WeakPolarHBondContact O-CA 3.24Å; L464-Q467 WeakPolarHBondContact O-CB 3.16Å; L464-Q467 PolarHBondContact O-N 2.86Å; L464-E468 HydrophobicContact CD1-CG 4.24Å; L464-E468 HydrophobicContact CG-CG 4.45Å; L464-E468 WeakPolarHBondContact O-CG 3.49Å; L464-E468 PolarHBondContact O-N 3.37Å
465	C	98.1	Very high	95.6	Very high	37 Å²	37	50.5 Å²	50.5	25%	0.25	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-36.5	177.7	-179.2	0	0	0	0	112.3	I461 T462 E468 R469	I461-C465 HydrophobicContact CB-CB 4.21Å; T462-C465 PolarHBondContact O-N 3.11Å; T462-C465 WeakPolarHBondContact OG1-CB 3.29Å; T462-C465 PolarHBondContact OG1-N 3.47Å; T462-C465 VanDerWaalsContact OG1-N 3.15Å; C465-E468 PolarHBondContact O-N 3.44Å; C465-R469 WeakPolarHBondContact O-CB 3.48Å; C465-R469 WeakPolarHBondContact O-CG 3.32Å; C465-R469 PolarHBondContact O-N 3.17Å
466	A	98.4	Very high	95	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-43	172.2	0	0	0	0	0	111.9	L375 L448 I461 T462 L464 L470	L375-A466 HydrophobicContact CD2-CB 4.37Å; L448-A466 HydrophobicContact CD2-CB 4.39Å; I461-A466 HydrophobicContact CD1-CB 3.8Å; I461-A466 HydrophobicContact CG1-CB 4.44Å; T462-A466 PolarHBondContact O-N 2.96Å; L464-A466 VanDerWaalsContact C-N 3.28Å; L464-A466 PolarHBondContact O-N 3.41Å; A466-L470 VanDerWaalsContact O-CB 3.27Å; A466-L470 WeakPolarHBondContact O-CB 3.18Å; A466-L470 VanDerWaalsContact O-CG 3.27Å; A466-L470 WeakPolarHBondContact O-CG 3.4Å; A466-L470 PolarHBondContact O-N 2.95Å
467	Q	98	Very high	94.1	Very high	46 Å²	46	52.5 Å²	52.5	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-40.8	174.7	176.6	-94.1	-86.1	0	0	112.6	A277 K278 A281 A463 L464 A471	A277-Q467 HydrophobicContact CB-CB 4.09Å; K278-Q467 HydrophobicContact CB-CG 3.84Å; K278-Q467 HydrophobicContact CG-CG 4.31Å; A281-Q467 HydrophobicContact CB-CB 4.2Å; A463-Q467 WeakPolarHBondContact O-CB 3.44Å; A463-Q467 PolarHBondContact O-N 2.87Å; L464-Q467 CarbonylContact O-C 3.35Å; L464-Q467 WeakPolarHBondContact O-CA 3.24Å; L464-Q467 WeakPolarHBondContact O-CB 3.16Å; L464-Q467 PolarHBondContact O-N 2.86Å; Q467-A471 VanDerWaalsContact O-CB 3.31Å; Q467-A471 WeakPolarHBondContact O-CB 3.34Å; Q467-A471 PolarHBondContact O-N 2.98Å
468	E	97.3	Very high	93.1	Very high	99 Å²	99	52.5 Å²	52.5	46%	0.463	30%	0.303	S	S	.	.	H	α-helix	trans	-66.3	-51.7	179.7	-71.3	171.3	141.2	0	0	110.7	L464 C465 L470 A471 E472	L464-E468 HydrophobicContact CD1-CG 4.24Å; L464-E468 HydrophobicContact CG-CG 4.45Å; L464-E468 WeakPolarHBondContact O-CG 3.49Å; L464-E468 PolarHBondContact O-N 3.37Å; C465-E468 PolarHBondContact O-N 3.44Å; E468-L470 VanDerWaalsContact C-N 3.31Å; E468-L470 PolarHBondContact O-N 3.07Å; E468-A471 PolarHBondContact O-N 2.84Å; E468-A471 VanDerWaalsContact O-N 3.11Å; E468-E472 PolarHBondContact O-N 2.91Å
469	R	96.9	Very high	91.9	Very high	46 Å²	46	49.2 Å²	49.2	17%	0.174	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-34.9	177.1	-69.7	171.7	68.8	-176.9	4.8	112.6	E447 L448 D451 C465 L473	E447-R469 IonicContact OE1-NH2 3.64Å; E447-R469 PolarHBondContact OE1-NH2 2.97Å; L448-R469 HydrophobicContact CD1-CB 3.48Å; L448-R469 VanDerWaalsContact CD1-CB 3.48Å; L448-R469 HydrophobicContact CG-CB 4.35Å; D451-R469 IonicContact OD2-CZ 3.29Å; D451-R469 IonicContact OD2-NH1 2.81Å; D451-R469 PolarHBondContact OD2-NH1 3.33Å; D451-R469 IonicContact OD2-NH2 2.79Å; D451-R469 PolarHBondContact OD2-NH2 3.25Å; C465-R469 WeakPolarHBondContact O-CB 3.48Å; C465-R469 WeakPolarHBondContact O-CG 3.32Å; C465-R469 PolarHBondContact O-N 3.17Å; R469-L473 WeakPolarHBondContact O-CB 3.22Å; R469-L473 PolarHBondContact O-N 3.04Å
470	L	96.3	Very high	90.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-46.6	171.3	-80.8	169.8	0	0	0	111.2	A273 A277 L379 L445 L448 A466 E468 E472 L473 C474	A273-L470 HydrophobicContact CB-CD1 4.33Å; A273-L470 HydrophobicContact CB-CD2 4.12Å; A277-L470 HydrophobicContact CB-CD1 3.54Å; L379-L470 HydrophobicContact CD1-CD1 4.16Å; L379-L470 HydrophobicContact CD2-CD1 3.82Å; L445-L470 HydrophobicContact CD1-CD2 4.06Å; L448-L470 HydrophobicContact CD1-CB 4.49Å; L448-L470 HydrophobicContact CD1-CD2 4.03Å; L448-L470 HydrophobicContact CD1-CG 3.72Å; L448-L470 HydrophobicContact CD2-CG 4.26Å; A466-L470 VanDerWaalsContact O-CB 3.27Å; A466-L470 WeakPolarHBondContact O-CB 3.18Å; A466-L470 VanDerWaalsContact O-CG 3.27Å; A466-L470 WeakPolarHBondContact O-CG 3.4Å; A466-L470 PolarHBondContact O-N 2.95Å; E468-L470 VanDerWaalsContact C-N 3.31Å; E468-L470 PolarHBondContact O-N 3.07Å; L470-E472 VanDerWaalsContact C-N 3.33Å; L470-E472 PolarHBondContact O-N 2.85Å; L470-L473 HydrophobicContact CD2-CD2 4.23Å; L470-L473 PolarHBondContact O-N 3.34Å; L470-C474 VanDerWaalsContact O-CB 3.32Å; L470-C474 WeakPolarHBondContact O-CB 3.35Å; L470-C474 PolarHBondContact O-N 3.21Å; L470-C474 PolarHBondContact O-SG 3.43Å
471	A	93.8	Very high	88.4	Confident	45 Å²	45	55.7 Å²	55.7	37%	0.372	33%	0.331	S	S	.	.	H	α-helix	trans	-60	-42.3	180	0	0	0	0	0	112.2	Q467 E468	Q467-A471 VanDerWaalsContact O-CB 3.31Å; Q467-A471 WeakPolarHBondContact O-CB 3.34Å; Q467-A471 PolarHBondContact O-N 2.98Å; E468-A471 PolarHBondContact O-N 2.84Å; E468-A471 VanDerWaalsContact O-N 3.11Å
472	E	93.2	Very high	86.3	Confident	137 Å²	137	58.5 Å²	58.5	64%	0.64	35%	0.351	S	S	*	.	H	α-helix	trans	-62	-52.6	172.7	-70	-176.7	163.2	0	0	111.8	E468 L470 C474 T475	E468-E472 PolarHBondContact O-N 2.91Å; L470-E472 VanDerWaalsContact C-N 3.33Å; L470-E472 PolarHBondContact O-N 2.85Å; E472-C474 VanDerWaalsContact C-N 3.26Å; E472-C474 PolarHBondContact O-N 2.82Å; E472-T475 WeakPolarHBondContact O-CB 3.32Å; E472-T475 PolarHBondContact O-N 3.41Å; E472-T475 VanDerWaalsContact O-N 3.08Å; E472-T475 PolarHBondContact O-OG1 3.2Å
473	L	91.1	Very high	84.1	Confident	4 Å²	4	62 Å²	62	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-54	-42.5	178.7	173.5	73.5	0	0	0	112.3	W266 P441 T444 L445 R469 L470 T475 I476	W266-L473 HydrophobicContact CZ2-CD1 4.46Å; P441-L473 VanDerWaalsContact CA-CD1 3.49Å; P441-L473 HydrophobicContact CB-CD1 3.43Å; P441-L473 VanDerWaalsContact CB-CD1 3.43Å; P441-L473 WeakPolarHBondContact O-CD1 3.44Å; T444-L473 HydrophobicContact CG2-CD1 4.45Å; L445-L473 HydrophobicContact CB-CD2 3.67Å; L445-L473 HydrophobicContact CD1-CD2 3.7Å; L445-L473 HydrophobicContact CD2-CD2 4.36Å; L445-L473 HydrophobicContact CG-CD2 4.09Å; R469-L473 WeakPolarHBondContact O-CB 3.22Å; R469-L473 PolarHBondContact O-N 3.04Å; L470-L473 HydrophobicContact CD2-CD2 4.23Å; L470-L473 PolarHBondContact O-N 3.34Å; L473-T475 PolarHBondContact O-N 2.98Å; L473-I476 WeakPolarHBondContact O-CB 3.4Å; L473-I476 PolarHBondContact O-N 3.15Å
474	C	88.3	Confident	81.6	Confident	39 Å²	39	68.4 Å²	68.4	26%	0.264	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.1	-176.6	-65.5	0	0	0	0	113.5	C270 S274 L470 E472 I476	C270-C474 VanDerWaalsContact CA-SG 3.58Å; C270-C474 HydrophobicContact CB-CB 3.84Å; C270-C474 WeakPolarHBondContact CB-SG 3.48Å; C270-C474 PolarHBondContact SG-SG 3.37Å; S274-C474 PolarHBondContact OG-SG 3.17Å; L470-C474 VanDerWaalsContact O-CB 3.32Å; L470-C474 WeakPolarHBondContact O-CB 3.35Å; L470-C474 PolarHBondContact O-N 3.21Å; L470-C474 PolarHBondContact O-SG 3.43Å; E472-C474 VanDerWaalsContact C-N 3.26Å; E472-C474 PolarHBondContact O-N 2.82Å; C474-I476 VanDerWaalsContact C-N 3.3Å
475	T	88.1	Confident	78.7	Confident	120 Å²	120	71.4 Å²	71.4	74%	0.736	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.2	167.3	69.4	0	0	0	0	113	E472 L473	E472-T475 WeakPolarHBondContact O-CB 3.32Å; E472-T475 PolarHBondContact O-N 3.41Å; E472-T475 VanDerWaalsContact O-N 3.08Å; E472-T475 PolarHBondContact O-OG1 3.2Å; L473-T475 PolarHBondContact O-N 2.98Å
476	I	83.5	Confident	76.1	Confident	83 Å²	83	76.4 Å²	76.4	43%	0.426	43%	0.428	S	S	.	.	S	Bend	trans	-89.6	130.4	-178.6	-47.1	177.4	0	0	0	108.6	W266 P441 L473 C474	W266-I476 PolarHBondContact NE1-O 3.18Å; P441-I476 HydrophobicContact CB-CB 4.43Å; P441-I476 HydrophobicContact CB-CG2 4.26Å; P441-I476 HydrophobicContact CG-CG2 4.09Å; L473-I476 WeakPolarHBondContact O-CB 3.4Å; L473-I476 PolarHBondContact O-N 3.15Å; C474-I476 VanDerWaalsContact C-N 3.3Å
477	A	76.2	Confident	73.1	Confident	77 Å²	77	84.1 Å²	84.1	64%	0.636	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-62.7	155.3	172.1	0	0	0	0	0	111.2
478	C	73.8	Confident	70	Confident	27 Å²	27	91.4 Å²	91.4	18%	0.182	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-58.8	139	169.2	-166.5	0	0	0	0	109.2	W266 D388 A480	W266-C478 HydrophobicContact CB-CB 3.74Å; W266-C478 HydrophobicContact CD2-CB 3.8Å; W266-C478 HydrophobicContact CE3-CB 4.24Å; W266-C478 HydrophobicContact CG-CB 3.56Å; D388-C478 HydrophobicContact CB-CB 4.26Å; D388-C478 WeakPolarHBondContact CB-SG 3.49Å; C478-A480 PolarHBondContact O-N 3.06Å; C478-A480 VanDerWaalsContact O-N 3.14Å
479	P	68.4	Low	66.8	Low	29 Å²	29	89.9 Å²	89.9	19%	0.188	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-55.3	123.5	172.1	-24.1	34.9	0	0	0	109.2	L392 P441	L392-P479 HydrophobicContact CD1-CB 4.14Å; L392-P479 HydrophobicContact CD1-CG 4.44Å; L392-P479 HydrophobicContact CD2-CB 4.48Å; L392-P479 WeakPolarHBondContact CD2-O 3.36Å; P441-P479 HydrophobicContact CG-CG 3.64Å
480	A	62.4	Low	63.7	Low	102 Å²	102	92.1 Å²	92.1	84%	0.843	53%	0.529	S	S	*	.			trans	-83.9	-17.3	-177.2	0	0	0	0	0	112.7	C478	C478-A480 PolarHBondContact O-N 3.06Å; C478-A480 VanDerWaalsContact O-N 3.14Å
481	D	59	Low	60.6	Low	83 Å²	83	99.5 Å²	99.5	44%	0.444	57%	0.573	S	S	.	*	S	Bend	trans	-124.7	139.8	-171.9	-160.5	-57.2	0	0	0	111.1	R436 M483 E484	R436-D481 PolarHBondContact NH1-O 3.05Å; D481-M483 PolarHBondContact O-N 2.97Å; D481-M483 VanDerWaalsContact O-N 3.12Å; D481-M483 PolarHBondContact OD1-N 3.01Å; D481-E484 HydrophobicContact CB-CG 4.4Å
482	P	54.9	Low	57.8	Low	85 Å²	85	103.3 Å²	103.3	55%	0.552	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-10.6	169.7	-27.7	37.4	0	0	0	116.6	R436	R436-P482 PolarHBondContact NH1-O 3.35Å
483	M	50.7	Low	55.2	Low	152 Å²	152	105.4 Å²	105.4	75%	0.749	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	9.5	-164.8	-109.3	-173.7	68.4	0	0	119.5	D481 I485	D481-M483 PolarHBondContact O-N 2.97Å; D481-M483 VanDerWaalsContact O-N 3.12Å; D481-M483 PolarHBondContact OD1-N 3.01Å; M483-I485 PolarHBondContact O-N 3.41Å
484	E	47	Very low	52.4	Low	137 Å²	137	114.3 Å²	114.3	64%	0.64	64%	0.643	S	S	*	*			trans	-70.1	92.4	178	-76.4	-165.4	139.9	0	0	114	D481 H486	D481-E484 HydrophobicContact CB-CG 4.4Å; E484-H486 PolarHBondContact O-N 2.82Å
485	I	38.1	Very low	49.9	Very low	150 Å²	150	121.2 Å²	121.2	77%	0.769	67%	0.671	S	S	*	*			trans	-84	91.9	163.5	-56.8	175.2	0	0	0	108.3	M483 E487	M483-I485 PolarHBondContact O-N 3.41Å; I485-E487 HydrophobicContact CG2-CG 4.36Å; I485-E487 PolarHBondContact O-N 2.98Å
486	H	42.2	Very low	47.3	Very low	143 Å²	143	120.9 Å²	120.9	66%	0.662	67%	0.674	S	S	*	*			trans	-82	92.4	176.4	-127	-62.1	0	0	0	110.8	E484 F488	E484-H486 PolarHBondContact O-N 2.82Å; H486-F488 PolarHBondContact O-N 2.68Å
487	E	36.2	Very low	45	Very low	162 Å²	162	122.7 Å²	122.7	76%	0.757	69%	0.691	S	S	*	*			trans	-67.6	85.3	174.7	-74.8	-166	123.5	0	0	112.3	I485 G489	I485-E487 HydrophobicContact CG2-CG 4.36Å; I485-E487 PolarHBondContact O-N 2.98Å; E487-G489 PolarHBondContact O-N 2.98Å
488	F	32.8	Very low	43.2	Very low	198 Å²	198	126.4 Å²	126.4	87%	0.868	70%	0.701	S	S	*	*			trans	-76.8	66.6	161.3	-101.6	-89.1	0	0	0	110.1	H486	H486-F488 PolarHBondContact O-N 2.68Å
489	G	30.5	Very low	41.6	Very low	68 Å²	68	129.5 Å²	129.5	70%	0.701	72%	0.722	S	S	*	*			trans	-137.3	-5	-162.8	0	0	0	0	0	118.5	E487	E487-G489 PolarHBondContact O-N 2.98Å
490	S	31.8	Very low	40	Very low	92 Å²	92	139.6 Å²	139.6	64%	0.643	76%	0.757	S	S	*	*			trans	-153.4	81.2	-173.8	54.2	0	0	0	0	116	V492	S490-V492 VanDerWaalsContact C-N 3.31Å; S490-V492 PolarHBondContact O-N 2.89Å
491	V	30.6	Very low	38.8	Very low	156 Å²	156	138.9 Å²	138.9	95%	0.945	75%	0.746	S	S	*	*			trans	-83	82.3	155.4	-177.7	0	0	0	0	108.3
492	V	35.6	Very low	37.7	Very low	126 Å²	126	145.1 Å²	145.1	76%	0.764	76%	0.763	S	S	*	*			trans	-97.7	131.5	171.3	176.9	0	0	0	0	108.9	S490 Q494	S490-V492 VanDerWaalsContact C-N 3.31Å; S490-V492 PolarHBondContact O-N 2.89Å; V492-Q494 PolarHBondContact O-N 3.33Å
493	Q	37.9	Very low	36.7	Very low	181 Å²	181	151.9 Å²	151.9	85%	0.846	78%	0.777	S	S	*	*			trans	-66.9	131.9	-176.7	-68.3	170.6	-59.2	0	0	111.5	E495	Q493-E495 PolarHBondContact O-N 2.88Å
494	Q	31.6	Very low	35.9	Very low	191 Å²	191	148.7 Å²	148.7	89%	0.893	78%	0.775	S	S	*	*			trans	-89.4	81.8	-175.8	-171.4	-179.4	11.3	0	0	111.2	V492	V492-Q494 PolarHBondContact O-N 3.33Å
495	E	36	Very low	35.5	Very low	183 Å²	183	150.2 Å²	150.2	86%	0.855	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-96.8	128.8	168	-67.9	-154.9	145.9	0	0	111.9	Q493	Q493-E495 PolarHBondContact O-N 2.88Å
496	S	35.2	Very low	35.4	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-76.3	131	-173.3	-68	0	0	0	0	112.6	N498	S496-N498 PolarHBondContact O-N 3.25Å
497	P	34.2	Very low	35.1	Very low	120 Å²	120	144.4 Å²	144.4	78%	0.779	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-78.7	121.4	179.3	30.5	-33.6	0	0	0	111.7
498	N	38.9	Very low	35	Very low	156 Å²	156	146.6 Å²	146.6	83%	0.834	80%	0.797	S	S	*	*			trans	-152.7	127.7	154.2	-119.7	-40.1	0	0	0	116.3	S496	S496-N498 PolarHBondContact O-N 3.25Å
499	S	39.1	Very low	35	Very low	91 Å²	91	143.2 Å²	143.2	64%	0.636	79%	0.787	S	S	*	*			trans	56.6	105.4	154.7	62	0	0	0	0	122.3
500	R	35.6	Very low	35.3	Very low	241 Å²	241	148.4 Å²	148.4	91%	0.909	79%	0.792	S	S	*	*				79.6	111.7	122.6	-68.7	176.5	173.8	171.5	-1.7	120.9
501	S	36.4	Very low	35.3	Very low	88 Å²	88	152.3 Å²	152.3	62%	0.615	80%	0.8	S	S	*	*				102.9	108.1	105.1	174	0	0	0	0	121.7
502	R	36.1	Very low	35.6	Very low	213 Å²	213	151 Å²	151	80%	0.804	80%	0.795	S	S	*	*			trans	97	124.4	142.4	-69.8	161.5	-166.1	-170.6	1.5	121.1
503	R	33.9	Very low	35.4	Very low	227 Å²	227	149.9 Å²	149.9	86%	0.857	79%	0.793	S	S	*	*			trans	66	121.8	146.8	-62.5	170.5	180	170.2	-3.9	116.3
504	A	34.9	Very low	35.3	Very low	85 Å²	85	149.9 Å²	149.9	70%	0.702	79%	0.791	S	S	*	*			cis	90.5	114.2	38.7	0	0	0	0	0	114.1
505	D	37.6	Very low	35.6	Very low	169 Å²	169	147.8 Å²	147.8	90%	0.904	79%	0.785	S	S	*	*				164.7	150.8	129.4	-79.5	-15.9	0	0	0	112.4
506	G	35.6	Very low	35.5	Very low	75 Å²	75	142 Å²	142	77%	0.773	78%	0.775	S	S	*	*			trans	87.3	127.5	173.4	0	0	0	0	0	116.2
507	A	37.5	Very low	35.6	Very low	96 Å²	96	144.5 Å²	144.5	79%	0.793	78%	0.779	S	S	*	*			cis	89.5	139	33.9	0	0	0	0	0	114.5
508	Y	33.9	Very low	35.7	Very low	208 Å²	208	143 Å²	143	82%	0.816	77%	0.772	S	S	*	*			cis	-161.7	147.6	-13.1	-132.2	-102.9	0	0	0	109.6
509	I	33.2	Very low	35.6	Very low	127 Å²	127	141 Å²	141	65%	0.651	77%	0.765	S	S	*	*			trans	15.9	126.7	157.6	-55.8	176.8	0	0	0	121.3
510	H	35.4	Very low	35.6	Very low	177 Å²	177	142.3 Å²	142.3	82%	0.819	77%	0.77	S	S	*	*				-175.8	147.4	112.1	-120.9	-77.2	0	0	0	115.9
511	Q	32.2	Very low	35.6	Very low	174 Å²	174	137.1 Å²	137.1	81%	0.813	76%	0.76	S	S	*	*			trans	-110.7	158.6	154.8	-86.2	-174.1	-45	0	0	109.6
512	P	37.2	Very low	35.6	Very low	129 Å²	129	138.8 Å²	138.8	84%	0.838	77%	0.767	S	S	*	*				-142.2	164.5	127.3	37.2	-24	0	0	0	114.6
513	S	31.6	Very low	35.7	Very low	102 Å²	102	133 Å²	133	71%	0.713	76%	0.758	S	S	*	*			trans	-106.2	163.4	167.1	50.1	0	0	0	0	110.7
514	F	36.4	Very low	35.8	Very low	182 Å²	182	130.4 Å²	130.4	80%	0.798	76%	0.756	S	S	*	*				178.7	168.4	128.2	-115.2	-98.2	0	0	0	113.6
515	N	36.4	Very low	35.8	Very low	146 Å²	146	132.4 Å²	132.4	78%	0.781	76%	0.76	S	S	*	*			trans	-59.8	172.5	-178.7	-44.3	-13.9	0	0	0	114
516	G	35.1	Very low	35.5	Very low	62 Å²	62	130.9 Å²	130.9	64%	0.639	75%	0.752	S	S	*	*			cis	164	-176.3	1.9	0	0	0	0	0	111.2
517	D	35.7	Very low	35.5	Very low	167 Å²	167	132.7 Å²	132.7	89%	0.893	75%	0.748	S	S	*	*			trans	63.1	154.1	168.1	-62	-23.5	0	0	0	118.8
518	S	36.3	Very low	35.3	Very low	89 Å²	89	133.9 Å²	133.9	62%	0.622	75%	0.75	S	S	*	*			cis	-167.9	178.8	-22.9	58.1	0	0	0	0	111.7
519	T	38.2	Very low	35.4	Very low	113 Å²	113	127.5 Å²	127.5	69%	0.693	75%	0.748	S	S	*	*			trans	72.8	122.7	154.5	54.5	0	0	0	0	123.5
520	T	38.9	Very low	35.4	Very low	119 Å²	119	131.6 Å²	131.6	73%	0.73	76%	0.762	S	S	*	*			trans	68	149.5	131.1	60.8	0	0	0	0	121.3
521	D	36.3	Very low	35.2	Very low	131 Å²	131	126.6 Å²	126.6	70%	0.701	75%	0.751	S	S	*	*			cis	-163.7	161.6	-5.5	-127.5	-35.5	0	0	0	113.2
522	T	36.3	Very low	35.2	Very low	124 Å²	124	123.8 Å²	123.8	76%	0.761	75%	0.751	S	S	*	*			trans	47.6	158.7	152.6	50.1	0	0	0	0	122.5
523	S	37	Very low	34.9	Very low	90 Å²	90	124.6 Å²	124.6	63%	0.629	75%	0.753	S	S	*	*			cis	-168.4	140.6	-9.8	46.2	0	0	0	0	112.8
524	Q	35.7	Very low	34.7	Very low	173 Å²	173	122.8 Å²	122.8	81%	0.808	75%	0.75	S	S	*	*			trans	55.6	161.2	134.9	-61.7	-177.6	-16.1	0	0	124.2
525	T	35.5	Very low	34.3	Very low	128 Å²	128	123 Å²	123	79%	0.785	76%	0.759	S	S	*	*			trans	80.4	150.9	161.5	70.9	0	0	0	0	120.1
526	D	31.5	Very low	34	Very low	136 Å²	136	120 Å²	120	73%	0.727	76%	0.763	S	S	*	*			cis	-166.7	173.8	-47.5	-131.7	-51.3	0	0	0	112.4
527	T	35.6	Very low	33.7	Very low	113 Å²	113	123.1 Å²	123.1	69%	0.693	78%	0.775	S	S	*	*			trans	65.4	107	153	54.1	0	0	0	0	122.2
528	S	33.9	Very low	33.4	Very low	121 Å²	121	119 Å²	119	85%	0.846	76%	0.759	S	S	*	*				55.1	136.9	126.1	70.6	0	0	0	0	123.8
529	G	34.8	Very low	33.1	Very low	75 Å²	75	122.5 Å²	122.5	77%	0.773	77%	0.771	S	S	*	*			trans	172.5	129.9	152.8	0	0	0	0	0	115.6
530	F	32.5	Very low	32.7	Very low	212 Å²	212	127.8 Å²	127.8	93%	0.93	78%	0.778	S	S	*	*			trans	-7.5	155.5	164.6	-87.3	-121.3	0	0	0	120.2
531	A	32.7	Very low	32.2	Very low	72 Å²	72	125.5 Å²	125.5	60%	0.595	78%	0.778	S	S	*	*			cis	157.9	132	-21.4	0	0	0	0	0	108.9
532	S	30.7	Very low	31.9	Very low	115 Å²	115	130.9 Å²	130.9	80%	0.804	79%	0.788	S	S	*	*			trans	78.7	148.7	150.2	79.2	0	0	0	0	122.6
533	V	31.7	Very low	31.5	Very low	146 Å²	146	130.1 Å²	130.1	89%	0.885	79%	0.789	S	S	*	*			trans	71.1	114.5	161.8	-165.1	0	0	0	0	119.6
534	G	28.2	Very low	31.1	Very low	64 Å²	64	131.6 Å²	131.6	66%	0.66	80%	0.797	S	S	*	*				136.6	86.8	127	0	0	0	0	0	119.6
535	L	28.1	Very low	30.7	Very low	186 Å²	186	127.8 Å²	127.8	97%	0.974	80%	0.795	S	S	*	*			trans	40.6	105.6	138.5	-57	170.8	0	0	0	119.1
536	G	29.6	Very low	30.4	Very low	84 Å²	84	125.7 Å²	125.7	87%	0.866	79%	0.786	S	S	*	*			trans	-163.2	119.8	167.6	0	0	0	0	0	113.3
537	S	28	Very low	30.3	Very low	128 Å²	128	124.2 Å²	124.2	90%	0.895	79%	0.787	S	S	*	*			trans	-82.1	164.3	178.3	-175.3	0	0	0	0	112.5
538	S	29.2	Very low	30.1	Very low	80 Å²	80	127.5 Å²	127.5	56%	0.559	80%	0.799	S	S	*	*			trans	84.8	92	171	176.2	0	0	0	0	119
539	D	30.8	Very low	29.9	Very low	163 Å²	163	124.4 Å²	124.4	87%	0.872	79%	0.786	S	S	*	*			trans	-117.1	133.2	134	-85.8	-48.2	0	0	0	108.2
540	R	30.4	Very low	29.6	Very low	224 Å²	224	130.2 Å²	130.2	85%	0.845	79%	0.786	S	S	*	*			cis	73.6	38.5	15.4	-70.3	-168	170.8	-158.8	-0	118.3
541	G	27.4	Very low	29.6	Very low	71 Å²	71	127.2 Å²	127.2	73%	0.732	77%	0.774	S	S	*	*				93.8	142.2	117.6	0	0	0	0	0	119.6
542	R	30.1	Very low	29.6	Very low	243 Å²	243	128.3 Å²	128.3	92%	0.917	77%	0.774	S	S	*	*			trans	-135.4	101.9	149.3	-89.6	-174.9	178	-169.4	-0.6	109.2
543	S	27.3	Very low	29.7	Very low	109 Å²	109	127.3 Å²	127.3	76%	0.762	76%	0.759	S	S	*	*			trans	-81	120	161.5	176.3	0	0	0	0	108	A545	S543-A545 PolarHBondContact O-N 2.75Å
544	C	29	Very low	29.9	Very low	120 Å²	120	126.7 Å²	126.7	81%	0.811	74%	0.741	S	S	*	*			trans	-80.7	66.4	175.6	-72.2	0	0	0	0	110.7	S546	C544-S546 VanDerWaalsContact C-N 3.32Å; C544-S546 PolarHBondContact O-N 3.37Å
545	A	26.8	Very low	30.3	Very low	93 Å²	93	127.6 Å²	127.6	77%	0.769	74%	0.738	S	S	*	*			trans	-76.1	76	-179	0	0	0	0	0	112.7	S543	S543-A545 PolarHBondContact O-N 2.75Å
546	S	30.7	Very low	30.7	Very low	84 Å²	84	123 Å²	123	59%	0.587	71%	0.713	S	S	*	*			trans	-153.2	91.3	164.8	59.8	0	0	0	0	109.2	C544	C544-S546 VanDerWaalsContact C-N 3.32Å; C544-S546 PolarHBondContact O-N 3.37Å
547	S	29.1	Very low	31	Very low	106 Å²	106	121.7 Å²	121.7	74%	0.741	69%	0.691	S	S	*	*				58.3	106.7	79.3	-169	0	0	0	0	113	G549	S547-G549 PolarHBondContact O-N 2.74Å; S547-G549 VanDerWaalsContact O-N 3.13Å
548	L	30.5	Very low	31.5	Very low	182 Å²	182	118.9 Å²	118.9	95%	0.953	67%	0.671	S	S	*	*	S	Bend	trans	18.2	82.2	146.8	-69.9	156.7	0	0	0	115.7
549	G	29.8	Very low	32.1	Very low	55 Å²	55	117.4 Å²	117.4	57%	0.567	66%	0.664	S	S	*	*			trans	-156	-17.4	179.3	0	0	0	0	0	117	S547 Q551	S547-G549 PolarHBondContact O-N 2.74Å; S547-G549 VanDerWaalsContact O-N 3.13Å; G549-Q551 VanDerWaalsContact C-N 3.27Å; G549-Q551 PolarHBondContact O-N 3.35Å
550	Y	30	Very low	32.7	Very low	198 Å²	198	115.1 Å²	115.1	78%	0.776	65%	0.648	S	S	*	*			trans	-82.4	58	-173.8	-79.1	-85.2	0	0	0	114.4
551	Q	30.7	Very low	33.3	Very low	148 Å²	148	110.5 Å²	110.5	69%	0.692	63%	0.631	S	S	*	*	S	Bend	trans	-127.6	67.3	162.4	-71.3	-162.5	19.4	0	0	111.6	G549	G549-Q551 VanDerWaalsContact C-N 3.27Å; G549-Q551 PolarHBondContact O-N 3.35Å
552	T	33.2	Very low	34.2	Very low	96 Å²	96	112.7 Å²	112.7	59%	0.589	63%	0.625	S	S	*	*	S	Bend	trans	-161.3	-39.5	166.8	19.6	0	0	0	0	113.9	R554 S555	T552-R554 VanDerWaalsContact C-N 3.35Å; T552-R554 PolarHBondContact O-N 2.87Å; T552-S555 PolarHBondContact O-OG 3.21Å; T552-S555 VanDerWaalsContact O-OG 3.09Å
553	N	32.2	Very low	35	Very low	93 Å²	93	107.7 Å²	107.7	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-70.1	-18.9	-164.8	-72.8	-15.7	0	0	0	116.6	S555 L556 S557	N553-S555 VanDerWaalsContact C-N 3.27Å; N553-S555 PolarHBondContact O-N 3.33Å; N553-L556 PolarHBondContact O-N 2.59Å; N553-S557 PolarHBondContact O-N 3.27Å
554	R	36.1	Very low	35.9	Very low	134 Å²	134	109 Å²	109	51%	0.506	61%	0.606	S	S	.	*	H	α-helix	trans	-71.2	-17.2	-175.3	-136.4	177	-178.5	158.1	-3	114.2	D451 D454 T552 S558	D451-R554 IonicContact OD1-CZ 3.78Å; D451-R554 IonicContact OD1-NH1 3.93Å; D451-R554 PolarHBondContact OD1-NH1 3.1Å; D451-R554 IonicContact OD1-NH2 2.86Å; D451-R554 PolarHBondContact OD1-NH2 3.32Å; D451-R554 IonicContact OD2-NH1 3.51Å; D454-R554 IonicContact OD2-NH2 2.86Å; D454-R554 PolarHBondContact OD2-NH2 3.44Å; T552-R554 VanDerWaalsContact C-N 3.35Å; T552-R554 PolarHBondContact O-N 2.87Å; R554-S558 PolarHBondContact O-OG 3.32Å
555	S	36.5	Very low	36.4	Very low	83 Å²	83	111.1 Å²	111.1	58%	0.58	60%	0.602	S	S	*	*	H	α-helix	trans	-88.9	-33.5	172	53.1	0	0	0	0	113	T552 N553 A559	T552-S555 PolarHBondContact O-OG 3.21Å; T552-S555 VanDerWaalsContact O-OG 3.09Å; N553-S555 VanDerWaalsContact C-N 3.27Å; N553-S555 PolarHBondContact O-N 3.33Å; S555-A559 WeakPolarHBondContact O-CB 3.34Å; S555-A559 PolarHBondContact O-N 3.19Å; S555-A559 VanDerWaalsContact O-N 3.11Å
556	L	36.3	Very low	37.2	Very low	89 Å²	89	113.9 Å²	113.9	47%	0.466	60%	0.599	S	S	.	*	H	α-helix	trans	-69.1	-49	-176	-79	162.9	0	0	0	112.6	N553 S558 A559 Q560	N553-L556 PolarHBondContact O-N 2.59Å; L556-S558 VanDerWaalsContact C-N 3.33Å; L556-S558 PolarHBondContact O-N 3.12Å; L556-A559 PolarHBondContact O-N 3.3Å; L556-Q560 WeakPolarHBondContact O-CB 3.21Å; L556-Q560 VanDerWaalsContact O-CG 3.26Å; L556-Q560 WeakPolarHBondContact O-CG 3.49Å; L556-Q560 PolarHBondContact O-N 3.37Å; L556-Q560 PolarHBondContact O-OE1 3.41Å
557	S	36.7	Very low	37.7	Very low	57 Å²	57	113.9 Å²	113.9	40%	0.399	60%	0.599	S	S	.	*	H	α-helix	trans	-61.5	-41.3	-179.7	56.4	0	0	0	0	112.5	N553 Q560 R561	N553-S557 PolarHBondContact O-N 3.27Å; S557-Q560 PolarHBondContact O-N 3.02Å; S557-R561 WeakPolarHBondContact O-CG 3.05Å; S557-R561 PolarHBondContact O-N 2.97Å
558	S	37.5	Very low	38.3	Very low	68 Å²	68	116.8 Å²	116.8	48%	0.476	60%	0.601	S	S	.	*	H	α-helix	trans	-65.3	-42.9	177.5	-55.5	0	0	0	0	112.4	R554 L556 L562	R554-S558 PolarHBondContact O-OG 3.32Å; L556-S558 VanDerWaalsContact C-N 3.33Å; L556-S558 PolarHBondContact O-N 3.12Å; S558-L562 PolarHBondContact O-N 3.47Å
559	A	42.8	Very low	38.8	Very low	49 Å²	49	115.9 Å²	115.9	41%	0.405	59%	0.591	S	S	.	*	H	α-helix	trans	-67.6	-38.9	176	0	0	0	0	0	112.3	S555 L556 L562 Q563	S555-A559 WeakPolarHBondContact O-CB 3.34Å; S555-A559 PolarHBondContact O-N 3.19Å; S555-A559 VanDerWaalsContact O-N 3.11Å; L556-A559 PolarHBondContact O-N 3.3Å; A559-L562 PolarHBondContact O-N 3.27Å; A559-Q563 PolarHBondContact O-N 3.2Å; A559-Q563 VanDerWaalsContact O-N 3.07Å
560	Q	43	Very low	38.7	Very low	115 Å²	115	119 Å²	119	54%	0.537	60%	0.599	S	S	.	*	H	α-helix	trans	-68.1	-38.6	177.5	-73	171.5	-36.7	0	0	112.3	L556 S557 L562 Q563 Q564	L556-Q560 WeakPolarHBondContact O-CB 3.21Å; L556-Q560 VanDerWaalsContact O-CG 3.26Å; L556-Q560 WeakPolarHBondContact O-CG 3.49Å; L556-Q560 PolarHBondContact O-N 3.37Å; L556-Q560 PolarHBondContact O-OE1 3.41Å; S557-Q560 PolarHBondContact O-N 3.02Å; Q560-L562 VanDerWaalsContact C-N 3.34Å; Q560-L562 PolarHBondContact O-N 2.86Å; Q560-Q563 PolarHBondContact O-N 2.98Å; Q560-Q564 PolarHBondContact O-N 3.25Å; Q560-Q564 VanDerWaalsContact O-N 3.08Å
561	R	43.8	Very low	38.9	Very low	128 Å²	128	118.3 Å²	118.3	48%	0.483	60%	0.603	S	S	.	*	H	α-helix	trans	-63.3	-37	172.3	-74.1	-176	-173.5	-151.9	-4.3	112.1	D456 D458 S557 Q564 F565	D456-R561 IonicContact OD2-NH1 3.41Å; D458-R561 IonicContact OD2-CZ 3.51Å; D458-R561 VanDerWaalsContact OD2-CZ 3.29Å; D458-R561 IonicContact OD2-NH1 3.56Å; D458-R561 PolarHBondContact OD2-NH1 3.11Å; D458-R561 IonicContact OD2-NH2 2.77Å; D458-R561 PolarHBondContact OD2-NH2 3.42Å; S557-R561 WeakPolarHBondContact O-CG 3.05Å; S557-R561 PolarHBondContact O-N 2.97Å; R561-Q564 PolarHBondContact O-N 3.39Å; R561-F565 PolarHBondContact O-N 3.15Å
562	L	46.9	Very low	38.9	Very low	116 Å²	116	116.1 Å²	116.1	61%	0.607	60%	0.604	S	S	*	*	H	α-helix	trans	-64.8	-47.4	174.5	-80.7	167.5	0	0	0	112.3	S558 A559 Q560 Q564 F565 E566	S558-L562 PolarHBondContact O-N 3.47Å; A559-L562 PolarHBondContact O-N 3.27Å; Q560-L562 VanDerWaalsContact C-N 3.34Å; Q560-L562 PolarHBondContact O-N 2.86Å; L562-Q564 VanDerWaalsContact C-N 3.26Å; L562-Q564 PolarHBondContact O-N 3.01Å; L562-F565 PolarHBondContact O-N 2.87Å; L562-E566 PolarHBondContact O-N 3.05Å; L562-E566 VanDerWaalsContact O-N 3.11Å
563	Q	45.4	Very low	38.8	Very low	138 Å²	138	117.8 Å²	117.8	65%	0.645	61%	0.614	S	S	*	*	H	α-helix	trans	-63.7	-29.4	177.7	-71.9	-177.1	-26.1	0	0	113.2	A559 Q560 F565 S567	A559-Q563 PolarHBondContact O-N 3.2Å; A559-Q563 VanDerWaalsContact O-N 3.07Å; Q560-Q563 PolarHBondContact O-N 2.98Å; Q563-F565 VanDerWaalsContact C-N 3.34Å; Q563-S567 WeakPolarHBondContact O-CB 3.46Å; Q563-S567 PolarHBondContact O-N 3.05Å; Q563-S567 PolarHBondContact O-OG 2.87Å
564	Q	46.3	Very low	38.9	Very low	136 Å²	136	122.3 Å²	122.3	64%	0.636	63%	0.632	S	S	*	*	H	α-helix	trans	-74.6	-19.5	171.6	-76.3	-171.6	-32.4	0	0	114.2	Q560 R561 L562	Q560-Q564 PolarHBondContact O-N 3.25Å; Q560-Q564 VanDerWaalsContact O-N 3.08Å; R561-Q564 PolarHBondContact O-N 3.39Å; L562-Q564 VanDerWaalsContact C-N 3.26Å; L562-Q564 PolarHBondContact O-N 3.01Å
565	F	39.2	Very low	38.5	Very low	165 Å²	165	124.3 Å²	124.3	72%	0.724	65%	0.647	S	S	*	*	H	α-helix	trans	-86.8	-36.3	176.2	-119.5	-86.2	0	0	0	112.8	R561 L562 Q563 S567	R561-F565 PolarHBondContact O-N 3.15Å; L562-F565 PolarHBondContact O-N 2.87Å; Q563-F565 VanDerWaalsContact C-N 3.34Å; F565-S567 VanDerWaalsContact C-N 3.34Å
566	E	44.2	Very low	38.4	Very low	151 Å²	151	126.1 Å²	126.1	71%	0.706	66%	0.657	S	S	*	*	H	α-helix	trans	-73.2	-26.1	177.1	-67.1	-175.3	134.4	0	0	112.8	L562 Q568	L562-E566 PolarHBondContact O-N 3.05Å; L562-E566 VanDerWaalsContact O-N 3.11Å; E566-Q568 PolarHBondContact O-N 3.45Å
567	S	42.2	Very low	38.2	Very low	84 Å²	84	127.2 Å²	127.2	59%	0.587	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	0.4	-177.8	48.8	0	0	0	0	115.6	Q563 F565	Q563-S567 WeakPolarHBondContact O-CB 3.46Å; Q563-S567 PolarHBondContact O-N 3.05Å; Q563-S567 PolarHBondContact O-OG 2.87Å; F565-S567 VanDerWaalsContact C-N 3.34Å
568	Q	41.5	Very low	38.1	Very low	167 Å²	167	129 Å²	129	78%	0.78	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	12.4	179.8	-66.8	-166.1	-6.1	0	0	114.6	E566	E566-Q568 PolarHBondContact O-N 3.45Å
569	H	39.6	Very low	38	Very low	163 Å²	163	131.4 Å²	131.4	76%	0.755	70%	0.696	S	S	*	*	S	Bend	trans	-125.1	11.5	-171.7	-108.9	-62.2	0	0	0	116.8
570	T	29.4	Very low	37.6	Very low	121 Å²	121	136.4 Å²	136.4	74%	0.742	71%	0.711	S	S	*	*			trans	-132.6	78.6	-179.5	56.8	0	0	0	0	113.2
571	E	33.1	Very low	37.2	Very low	184 Å²	184	137.1 Å²	137.1	86%	0.86	72%	0.719	S	S	*	*			trans	-146.4	127.3	166.3	-126.8	167.2	-148	0	0	113
572	S	30.5	Very low	36.8	Very low	102 Å²	102	135.2 Å²	135.2	71%	0.713	73%	0.725	S	S	*	*			trans	29.1	116.9	160.4	56.1	0	0	0	0	121.2
573	V	31.8	Very low	36.3	Very low	130 Å²	130	137.3 Å²	137.3	79%	0.788	74%	0.735	S	S	*	*			trans	-127.2	114	147.2	177.4	0	0	0	0	108.5
574	E	33.5	Very low	35.6	Very low	188 Å²	188	138.8 Å²	138.8	88%	0.879	75%	0.747	S	S	*	*			trans	-98.5	144.8	170.3	-66.8	-169.7	135.2	0	0	110.8
575	H	27.6	Very low	35.2	Very low	176 Å²	176	135.7 Å²	135.7	82%	0.815	75%	0.752	S	S	*	*			trans	-113.2	129.7	177.8	-93.9	-72.5	0	0	0	111.7
576	P	35.5	Very low	34.9	Very low	122 Å²	122	138 Å²	138	79%	0.792	76%	0.756	S	S	*	*			trans	-79.1	153	160.4	-8.5	26.2	0	0	0	111.8
577	S	32	Very low	34.4	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	75%	0.754	S	S	*	*			trans	-77.9	166.8	178.1	56.8	0	0	0	0	112.2
578	S	34.7	Very low	34	Very low	94 Å²	94	142.5 Å²	142.5	66%	0.657	77%	0.768	S	S	*	*				176.6	150.2	56	41.8	0	0	0	0	113.1
579	T	34.8	Very low	33.6	Very low	118 Å²	118	137.9 Å²	137.9	72%	0.724	77%	0.765	S	S	*	*			trans	61.2	148.9	157	28.5	0	0	0	0	118.7
580	Q	35.2	Very low	33.3	Very low	154 Å²	154	138.7 Å²	138.7	72%	0.72	77%	0.774	S	S	*	*			cis	-154.8	153.3	12.8	-151.4	135.8	-4.8	0	0	113.4
581	D	34.3	Very low	33.5	Very low	130 Å²	130	137.7 Å²	137.7	70%	0.695	77%	0.771	S	S	*	*			trans	18.9	154.6	151.3	-69.9	-59	0	0	0	124.7
582	S	35.3	Very low	33.6	Very low	89 Å²	89	135.5 Å²	135.5	62%	0.622	77%	0.766	S	S	*	*			cis	176.8	177.6	-36.7	47.9	0	0	0	0	110.9
583	I	35.8	Very low	33.8	Very low	160 Å²	160	138.3 Å²	138.3	82%	0.821	77%	0.768	S	S	*	*			trans	105.1	140.6	163.4	-57	171.5	0	0	0	118.7
584	D	31.9	Very low	33.9	Very low	168 Å²	168	139 Å²	139	90%	0.898	77%	0.765	S	S	*	*			trans	-126.4	170.9	-160.9	-75.8	-71.1	0	0	0	116.7
585	G	36.6	Very low	33.9	Very low	71 Å²	71	136 Å²	136	73%	0.732	76%	0.76	S	S	*	*			trans	131.9	153.3	159.3	0	0	0	0	0	114
586	R	33.3	Very low	34.1	Very low	214 Å²	214	131.9 Å²	131.9	81%	0.808	76%	0.756	S	S	*	*			cis	-173.6	166.5	-3.1	-125.5	172.6	139.4	108.4	8.6	106.4
587	E	35	Very low	34	Very low	141 Å²	141	135 Å²	135	66%	0.659	76%	0.76	S	S	*	*			cis	-158.8	-163.8	3.3	-165	142.4	-150	0	0	109.8
588	E	32.9	Very low	34.1	Very low	189 Å²	189	137.6 Å²	137.6	88%	0.883	76%	0.76	S	S	*	*			trans	-81.7	174.1	179.5	-55.1	176.6	148.2	0	0	112.8
589	G	32.8	Very low	34	Very low	69 Å²	69	139.8 Å²	139.8	71%	0.711	76%	0.764	S	S	*	*			cis	138.9	129.3	0.6	0	0	0	0	0	111.8
590	L	33	Very low	34	Very low	181 Å²	181	140.2 Å²	140.2	95%	0.948	77%	0.767	S	S	*	*			trans	-165.4	164.7	174.9	-109.3	160.2	0	0	0	112.9
591	S	33	Very low	33.9	Very low	99 Å²	99	139.1 Å²	139.1	69%	0.692	78%	0.776	S	S	*	*			trans	-135	168.8	-156.5	-49	0	0	0	0	116.8
592	N	35.5	Very low	33.9	Very low	139 Å²	139	136.1 Å²	136.1	74%	0.743	78%	0.776	S	S	*	*			trans	105.4	112.6	146.5	-66.7	-27.1	0	0	0	122.1
593	Q	34.8	Very low	33.7	Very low	161 Å²	161	139.3 Å²	139.3	75%	0.752	79%	0.786	S	S	*	*				97.1	135.9	117.6	-79.6	-175	13	0	0	124.4
594	I	34.1	Very low	33.8	Very low	143 Å²	143	139.7 Å²	139.7	73%	0.733	78%	0.784	S	S	*	*			trans	102.9	96.4	144.2	-72.6	155.9	0	0	0	121.2
595	V	33.6	Very low	33.9	Very low	126 Å²	126	137.9 Å²	137.9	76%	0.764	77%	0.774	S	S	*	*			trans	60.6	102.3	130.3	-169.6	0	0	0	0	122
596	A	32.2	Very low	33.7	Very low	90 Å²	90	140.3 Å²	140.3	74%	0.744	78%	0.78	S	S	*	*				39.4	131.7	127.7	0	0	0	0	0	123.6
597	Q	33	Very low	33.6	Very low	186 Å²	186	134 Å²	134	87%	0.869	78%	0.782	S	S	*	*				-150.7	164.4	107.7	-106.4	-170.6	-96.8	0	0	111.1
598	E	33.6	Very low	33.3	Very low	168 Å²	168	132.3 Å²	132.3	79%	0.785	79%	0.792	S	S	*	*			trans	-70.2	158.1	176	-62.4	131	136.5	0	0	111.1
599	D	34.1	Very low	33.2	Very low	139 Å²	139	129.2 Å²	129.2	74%	0.743	79%	0.791	S	S	*	*				-173.1	169.3	53.5	-144.8	-26.1	0	0	0	113.6
600	T	35	Very low	33.1	Very low	128 Å²	128	136 Å²	136	79%	0.785	80%	0.801	S	S	*	*			trans	52.3	98.8	166.3	56.9	0	0	0	0	119.1
601	S	33	Very low	32.9	Very low	130 Å²	130	130.3 Å²	130.3	91%	0.909	79%	0.786	S	S	*	*			trans	-87.1	134.7	172.3	58.2	0	0	0	0	113.9
602	G	34.3	Very low	32.7	Very low	67 Å²	67	133.8 Å²	133.8	69%	0.691	80%	0.797	S	S	*	*			trans	-128.7	134.8	161.7	0	0	0	0	0	111
603	D	30.9	Very low	32.5	Very low	156 Å²	156	132 Å²	132	83%	0.834	80%	0.796	S	S	*	*			trans	56.2	157.6	164.4	-58.7	-36.8	0	0	0	121.9
604	H	36.5	Very low	32.4	Very low	168 Å²	168	130.2 Å²	130.2	78%	0.778	80%	0.801	S	S	*	*			trans	84.9	128.5	160.7	-79.8	-75.6	0	0	0	123.4
605	D	34.4	Very low	32.3	Very low	130 Å²	130	134.4 Å²	134.4	70%	0.695	81%	0.807	S	S	*	*			trans	83.2	97	139.8	-65.8	6.3	0	0	0	123.5
606	S	33.1	Very low	32.4	Very low	122 Å²	122	134.5 Å²	134.5	85%	0.853	80%	0.8	S	S	*	*				62	114.4	128.3	68.1	0	0	0	0	121
607	G	30.7	Very low	32.4	Very low	82 Å²	82	137.2 Å²	137.2	85%	0.845	80%	0.801	S	S	*	*			trans	-154.5	129.2	159.3	0	0	0	0	0	109.9
608	A	29.3	Very low	32.5	Very low	106 Å²	106	132.2 Å²	132.2	88%	0.876	79%	0.792	S	S	*	*			trans	-90	144	-168.7	0	0	0	0	0	113.8
609	S	31.3	Very low	32.6	Very low	123 Å²	123	131.2 Å²	131.2	86%	0.86	78%	0.784	S	S	*	*			trans	-149.7	138.4	156.2	-169.5	0	0	0	0	110.8
610	F	29.8	Very low	32.8	Very low	212 Å²	212	130 Å²	130	93%	0.93	78%	0.778	S	S	*	*			trans	-79	147.1	-174.1	-87.6	-125.6	0	0	0	112.5
611	G	29.2	Very low	33	Very low	61 Å²	61	127.8 Å²	127.8	63%	0.629	77%	0.773	S	S	*	*			trans	150.9	110.7	156.8	0	0	0	0	0	116.9
612	N	28.6	Very low	33.3	Very low	173 Å²	173	125 Å²	125	93%	0.925	75%	0.75	S	S	*	*			trans	54.8	59.2	151.6	-63.7	-25.7	0	0	0	120
613	S	31.2	Very low	33.4	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	75%	0.754	S	S	*	*			trans	-116.7	2.6	166	-74	0	0	0	0	115.9
614	S	32.3	Very low	33.6	Very low	124 Å²	124	127.8 Å²	127.8	87%	0.867	74%	0.74	S	S	*	*	S	Bend	trans	-100	17.3	-170.2	-45.4	0	0	0	0	115.9
615	R	32.9	Very low	33.5	Very low	230 Å²	230	125.6 Å²	125.6	87%	0.868	73%	0.734	S	S	*	*	S	Bend	trans	-120.5	-9.8	178.9	-84.2	-172.9	173.8	177.1	-0.2	116.1
616	Q	34	Very low	33.7	Very low	129 Å²	129	124.3 Å²	124.3	60%	0.603	73%	0.727	S	S	*	*	S	Bend	trans	-87.9	-46.8	-176.8	-159.3	65.8	10.6	0	0	112.8	A618 K619	Q616-A618 PolarHBondContact O-N 3.16Å; Q616-K619 PolarHBondContact O-N 3.14Å
617	L	33.7	Very low	33.9	Very low	147 Å²	147	125.4 Å²	125.4	77%	0.77	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-0.8	-174	-73.3	163	0	0	0	116
618	A	35	Very low	34.3	Very low	81 Å²	81	126.6 Å²	126.6	67%	0.669	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-8.6	175.9	0	0	0	0	0	114	Q616	Q616-A618 PolarHBondContact O-N 3.16Å
619	K	35.6	Very low	34.5	Very low	146 Å²	146	128.8 Å²	128.8	64%	0.635	70%	0.698	S	S	*	*	S	Bend	trans	-91.1	-31.7	-179.3	-72	-176.6	173.3	-177.9	0	113.4	Q616 A621	Q616-K619 PolarHBondContact O-N 3.14Å; K619-A621 PolarHBondContact O-N 2.69Å
620	D	38.7	Very low	34.8	Very low	113 Å²	113	126.6 Å²	126.6	60%	0.604	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-10.6	-163.5	-47.1	-35.7	0	0	0	113.5
621	A	38.2	Very low	35.1	Very low	82 Å²	82	119 Å²	119	68%	0.678	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-3.7	-176.4	0	0	0	0	0	115.4	K619	K619-A621 PolarHBondContact O-N 2.69Å
622	V	40.2	Very low	35.6	Very low	73 Å²	73	125.5 Å²	125.5	44%	0.442	67%	0.665	S	S	.	*	S	Bend	trans	-106.5	-15.8	-170.5	-174.8	0	0	0	0	113.5
623	Y	35.5	Very low	36	Very low	196 Å²	196	123 Å²	123	77%	0.769	65%	0.65	S	S	*	*	S	Bend	trans	-103.6	60.7	-173.8	-86.5	-91.9	0	0	0	114.1
624	P	35.2	Very low	36.2	Very low	84 Å²	84	122.9 Å²	122.9	55%	0.545	65%	0.648	S	S	.	*	S	Bend	trans	-140.7	-14	133.4	23.1	-4.5	0	0	0	115.8	L626	P624-L626 VanDerWaalsContact C-N 3.32Å; P624-L626 PolarHBondContact O-N 2.9Å; P624-L626 VanDerWaalsContact O-N 3.17Å
625	L	35.6	Very low	36.5	Very low	123 Å²	123	123.8 Å²	123.8	64%	0.644	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	2.7	-161.4	-81.9	168.9	0	0	0	116.6
626	L	37.6	Very low	36.6	Very low	103 Å²	103	122.9 Å²	122.9	54%	0.539	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.3	-31.8	178.1	-87.6	160.2	0	0	0	114.4	P624	P624-L626 VanDerWaalsContact C-N 3.32Å; P624-L626 PolarHBondContact O-N 2.9Å; P624-L626 VanDerWaalsContact O-N 3.17Å
627	L	38.5	Very low	36.7	Very low	144 Å²	144	123.5 Å²	123.5	75%	0.754	65%	0.647	S	S	*	*	H	α-helix	trans	-68.8	-35.2	175.2	-95.6	73.8	0	0	0	112.5	K629 S630 A631	L627-K629 PolarHBondContact O-N 2.98Å; L627-S630 PolarHBondContact O-OG 2.91Å; L627-S630 VanDerWaalsContact O-OG 3.11Å; L627-A631 PolarHBondContact O-N 3.13Å
628	L	37.9	Very low	37	Very low	107 Å²	107	121 Å²	121	56%	0.56	64%	0.642	S	S	*	*	H	α-helix	trans	-72	-9.7	-178.7	-84.6	162.3	0	0	0	114.6
629	K	34.7	Very low	36.9	Very low	152 Å²	152	125.4 Å²	125.4	66%	0.661	65%	0.646	S	S	*	*	H	α-helix	trans	-94.1	-26.6	178.4	-80.2	-175.3	175	177.1	0	114.3	L627	L627-K629 PolarHBondContact O-N 2.98Å
630	S	36.7	Very low	36.8	Very low	78 Å²	78	122.9 Å²	122.9	55%	0.545	65%	0.652	S	S	.	*	H	α-helix	trans	-76.8	-44.3	170.3	44.6	0	0	0	0	111.2	L627 R632 I633	L627-S630 PolarHBondContact O-OG 2.91Å; L627-S630 VanDerWaalsContact O-OG 3.11Å; S630-R632 VanDerWaalsContact C-N 3.29Å; S630-R632 PolarHBondContact O-N 2.93Å; S630-I633 PolarHBondContact O-N 3.08Å; S630-I633 VanDerWaalsContact O-N 3.14Å
631	A	36.8	Very low	36.6	Very low	51 Å²	51	123.1 Å²	123.1	42%	0.421	66%	0.663	S	S	.	*	H	α-helix	trans	-56.9	-38.8	178.1	0	0	0	0	0	113.5	L627 I633	L627-A631 PolarHBondContact O-N 3.13Å; A631-I633 VanDerWaalsContact C-N 3.26Å; A631-I633 PolarHBondContact O-N 2.67Å
632	R	37.9	Very low	36.5	Very low	199 Å²	199	128 Å²	128	75%	0.751	67%	0.671	S	S	*	*	H	α-helix	trans	-73.8	-4.5	-180	-96.2	-178.3	167.7	166.4	-1.7	115.8	S630	S630-R632 VanDerWaalsContact C-N 3.29Å; S630-R632 PolarHBondContact O-N 2.93Å
633	I	37.4	Very low	36.2	Very low	120 Å²	120	133.4 Å²	133.4	62%	0.615	69%	0.692	S	S	*	*	H	α-helix	trans	-95.8	-37.9	177.7	-67.1	174.2	0	0	0	111.2	S630 A631	S630-I633 PolarHBondContact O-N 3.08Å; S630-I633 VanDerWaalsContact O-N 3.14Å; A631-I633 VanDerWaalsContact C-N 3.26Å; A631-I633 PolarHBondContact O-N 2.67Å
634	C	36.2	Very low	36.2	Very low	99 Å²	99	130 Å²	130	67%	0.669	70%	0.696	S	S	*	*	H	α-helix	trans	-67.9	-41.1	174.4	-65.2	0	0	0	0	112.4	R636	C634-R636 PolarHBondContact O-N 3.12Å; C634-R636 VanDerWaalsContact O-N 3.11Å
635	L	37.4	Very low	36.2	Very low	143 Å²	143	134.2 Å²	134.2	75%	0.749	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	1	-176.1	-74.9	169.8	0	0	0	115.4
636	R	36	Very low	36.1	Very low	211 Å²	211	131.6 Å²	131.6	80%	0.796	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-1.5	-177.7	-150.6	170.2	-174.3	151.5	6	115	C634	C634-R636 PolarHBondContact O-N 3.12Å; C634-R636 VanDerWaalsContact O-N 3.11Å
637	N	36.9	Very low	35.9	Very low	142 Å²	142	133.5 Å²	133.5	76%	0.759	74%	0.738	S	S	*	*	S	Bend	trans	-107.1	12.3	-178.1	-70.3	3.1	0	0	0	113.7
638	S	38.3	Very low	35.8	Very low	95 Å²	95	131.1 Å²	131.1	66%	0.664	74%	0.739	S	S	*	*	S	Bend	trans	-118.9	2.7	-175.8	-55.7	0	0	0	0	115
639	F	34	Very low	36	Very low	173 Å²	173	132.1 Å²	132.1	76%	0.759	75%	0.752	S	S	*	*	S	Bend	trans	-139	74.6	179.4	-72.7	-79.6	0	0	0	110.4
640	A	34	Very low	36	Very low	93 Å²	93	129 Å²	129	77%	0.769	75%	0.754	S	S	*	*			trans	-161.5	50.7	-179.9	0	0	0	0	0	114
641	S	32.9	Very low	36.1	Very low	118 Å²	118	130.5 Å²	130.5	83%	0.825	77%	0.765	S	S	*	*			trans	-157.5	95.5	167.3	59.3	0	0	0	0	110.9
642	E	35.9	Very low	36.2	Very low	184 Å²	184	133.2 Å²	133.2	86%	0.86	77%	0.772	S	S	*	*			trans	-86	152.7	176.9	-70.7	167.7	131.6	0	0	111.9
643	E	34.5	Very low	36.2	Very low	187 Å²	187	132.8 Å²	132.8	87%	0.874	77%	0.771	S	S	*	*			trans	36.1	114.3	147.5	-58.9	-175.5	152.5	0	0	121
644	S	35.6	Very low	36.3	Very low	123 Å²	123	132.6 Å²	132.6	86%	0.86	77%	0.771	S	S	*	*				-157.7	144.8	129.4	44.4	0	0	0	0	111.7
645	D	35.5	Very low	36.5	Very low	173 Å²	173	136 Å²	136	93%	0.925	78%	0.776	S	S	*	*			trans	-71	167.4	-170	-55.4	-83.2	0	0	0	115.7
646	G	33.3	Very low	36.4	Very low	69 Å²	69	133.2 Å²	133.2	71%	0.711	78%	0.783	S	S	*	*			trans	156.9	80.5	145	0	0	0	0	0	120.1
647	C	32.5	Very low	36.4	Very low	143 Å²	143	126.7 Å²	126.7	97%	0.966	78%	0.781	S	S	*	*			trans	64.3	154.5	159.1	-80	0	0	0	0	120
648	A	36.5	Very low	36.5	Very low	94 Å²	94	126.3 Å²	126.3	78%	0.777	78%	0.783	S	S	*	*			trans	-142	-169.5	-169.5	0	0	0	0	0	110.8
649	P	42.6	Very low	36.4	Very low	127 Å²	127	128.1 Å²	128.1	83%	0.825	79%	0.785	S	S	*	*				-126.8	178.1	-127.9	37.5	-17.9	0	0	0	115.9
650	A	36.1	Very low	36.5	Very low	86 Å²	86	128.4 Å²	128.4	71%	0.711	79%	0.789	S	S	*	*			trans	-160.3	128.3	164.2	0	0	0	0	0	115
651	S	37.7	Very low	36.6	Very low	110 Å²	110	128.9 Å²	128.9	77%	0.769	79%	0.793	S	S	*	*			trans	60.9	156.3	138	73.7	0	0	0	0	120.6
652	D	38.7	Very low	36.5	Very low	108 Å²	108	128.7 Å²	128.7	58%	0.578	79%	0.792	S	S	*	*			cis	-159.9	152.1	2.4	-137.2	-21.8	0	0	0	114
653	R	37.5	Very low	36.6	Very low	191 Å²	191	127.9 Å²	127.9	72%	0.721	79%	0.792	S	S	*	*			trans	55.9	145.8	140.5	-93.1	172.1	-103.2	-160.9	3.1	127.4
654	N	39.3	Very low	36.6	Very low	115 Å²	115	124.8 Å²	124.8	62%	0.615	79%	0.788	S	S	*	*			trans	79.1	148.6	142.6	-67.5	1.5	0	0	0	120.9
655	H	41	Very low	36.3	Very low	170 Å²	170	130.6 Å²	130.6	79%	0.787	79%	0.791	S	S	*	*			cis	-166.7	142	-16.3	-109.3	-21.7	0	0	0	112.2
656	G	36.5	Very low	36.3	Very low	86 Å²	86	127.9 Å²	127.9	89%	0.887	79%	0.786	S	S	*	*			trans	73.8	159.7	154.6	0	0	0	0	0	118.9
657	G	34.2	Very low	36.2	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	79%	0.794	S	S	*	*			cis	166.7	162.5	-10	0	0	0	0	0	114.2
658	V	39	Very low	36.2	Very low	135 Å²	135	131.4 Å²	131.4	82%	0.818	78%	0.78	S	S	*	*			trans	78.6	107.2	169	-168	0	0	0	0	118.7
659	D	36	Very low	36.2	Very low	132 Å²	132	132.7 Å²	132.7	71%	0.706	78%	0.78	S	S	*	*				19.6	155	127.7	-45.3	-17.2	0	0	0	120.5
660	Q	36.5	Very low	35.6	Very low	180 Å²	180	135 Å²	135	84%	0.841	78%	0.779	S	S	*	*			cis	-170.3	-178.1	35.1	-151.3	162.3	85.1	0	0	112.9
661	A	36.7	Very low	35.5	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	78%	0.781	S	S	*	*			trans	92.8	145.1	164.6	0	0	0	0	0	118.8
662	S	31.6	Very low	35.1	Very low	115 Å²	115	138.3 Å²	138.3	80%	0.804	78%	0.779	S	S	*	*			trans	-140.5	154.8	-160.8	56.6	0	0	0	0	113.4
663	I	37	Very low	34.8	Very low	167 Å²	167	139.7 Å²	139.7	86%	0.856	79%	0.785	S	S	*	*			trans	-152.3	147.3	165.3	-104	148.7	0	0	0	108.6
664	P	35.3	Very low	34.3	Very low	121 Å²	121	135.6 Å²	135.6	79%	0.786	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-93.5	171.8	-153.2	35.7	-38.2	0	0	0	117.4
665	R	29.3	Very low	33.9	Very low	245 Å²	245	137.1 Å²	137.1	93%	0.925	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-59.5	141.9	-176.5	-63.8	168.8	171.4	156.3	-5.6	114.4
666	S	34.5	Very low	33.5	Very low	117 Å²	117	134.2 Å²	134.2	82%	0.818	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-103.2	149.9	143.8	-174	0	0	0	0	108.9
667	Q	32.1	Very low	33.2	Very low	191 Å²	191	139.4 Å²	139.4	89%	0.893	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-94.8	126.7	-177.8	-69	176	-17	0	0	110.8
668	S	33.1	Very low	33.2	Very low	95 Å²	95	141.5 Å²	141.5	66%	0.664	79%	0.789	S	S	*	*			trans	-111	145.6	164.1	45.2	0	0	0	0	109.8	H670	S668-H670 PolarHBondContact O-N 2.96Å
669	P	35.3	Very low	32.8	Very low	121 Å²	121	144.1 Å²	144.1	79%	0.786	79%	0.792	S	S	*	*			trans	-71.6	120.5	-173.6	27.5	-33.9	0	0	0	111.4	V671	P669-V671 PolarHBondContact O-N 3.14Å; P669-V671 VanDerWaalsContact O-N 3.08Å
670	H	30.6	Very low	32.8	Very low	175 Å²	175	144 Å²	144	81%	0.81	80%	0.796	S	S	*	*			trans	-73.4	95.6	169.1	-77.6	-80.8	0	0	0	109.9	S668 I672	S668-H670 PolarHBondContact O-N 2.96Å; H670-I672 PolarHBondContact O-N 3.34Å
671	V	33.3	Very low	32.8	Very low	121 Å²	121	143.5 Å²	143.5	73%	0.733	80%	0.799	S	S	*	*			trans	-70.8	98.1	166.1	-178.2	0	0	0	0	108.2	P669 I673	P669-V671 PolarHBondContact O-N 3.14Å; P669-V671 VanDerWaalsContact O-N 3.08Å; V671-I673 HydrophobicContact CG1-CG1 4.09Å; V671-I673 PolarHBondContact O-N 3.17Å
672	I	28.9	Very low	32.5	Very low	144 Å²	144	142.1 Å²	142.1	74%	0.738	80%	0.795	S	S	*	*			trans	-81	100.3	173.9	-59.7	176.8	0	0	0	107.8	H670 S674	H670-I672 PolarHBondContact O-N 3.34Å; I672-S674 PolarHBondContact O-N 2.91Å; I672-S674 VanDerWaalsContact O-N 3.12Å
673	I	32.9	Very low	32.7	Very low	137 Å²	137	141.1 Å²	141.1	70%	0.703	79%	0.794	S	S	*	*			trans	-78.6	92.8	170.6	-56	180	0	0	0	108.1	V671 L675	V671-I673 HydrophobicContact CG1-CG1 4.09Å; V671-I673 PolarHBondContact O-N 3.17Å; I673-L675 PolarHBondContact O-N 2.96Å; I673-L675 VanDerWaalsContact O-N 3.13Å
674	S	28.1	Very low	32.4	Very low	105 Å²	105	140 Å²	140	73%	0.734	80%	0.795	S	S	*	*			trans	-69.9	101.3	169.5	-63.7	0	0	0	0	109.7	I672	I672-S674 PolarHBondContact O-N 2.91Å; I672-S674 VanDerWaalsContact O-N 3.12Å
675	L	31	Very low	32.3	Very low	147 Å²	147	139.4 Å²	139.4	77%	0.77	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-64.8	135.6	168.1	-72.9	169.2	0	0	0	109.5	I673 Q677	I673-L675 PolarHBondContact O-N 2.96Å; I673-L675 VanDerWaalsContact O-N 3.13Å; L675-Q677 PolarHBondContact O-N 2.89Å
676	P	32.2	Very low	32.6	Very low	110 Å²	110	138.4 Å²	138.4	71%	0.714	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-65.6	130.5	173.3	28	-33.3	0	0	0	109.4	V678	P676-V678 PolarHBondContact O-N 3.19Å
677	Q	29.1	Very low	32.5	Very low	194 Å²	194	139.5 Å²	139.5	91%	0.907	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72	120.3	169.6	-68.6	-160.1	-34.2	0	0	109	L675	L675-Q677 PolarHBondContact O-N 2.89Å
678	V	34.2	Very low	32.5	Very low	118 Å²	118	136.8 Å²	136.8	72%	0.715	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-97.8	116.5	165.6	178	0	0	0	0	106.5	P676 T680	P676-V678 PolarHBondContact O-N 3.19Å; V678-T680 PolarHBondContact O-N 3.49Å
679	E	30.8	Very low	32.5	Very low	190 Å²	190	139.1 Å²	139.1	89%	0.888	80%	0.803	S	S	*	*			trans	-66.6	111.2	173.1	-67.4	176.3	124.3	0	0	109	D681	E679-D681 PolarHBondContact O-N 3.24Å
680	T	37.1	Very low	32.3	Very low	130 Å²	130	140.2 Å²	140.2	80%	0.798	81%	0.805	S	S	*	*			trans	-89.4	89.7	174.5	55.1	0	0	0	0	109.2	V678	V678-T680 PolarHBondContact O-N 3.49Å
681	D	35.6	Very low	32.4	Very low	169 Å²	169	138 Å²	138	90%	0.904	80%	0.804	S	S	*	*			trans	-65.7	147.7	175.7	-139.2	-17.3	0	0	0	111.2	E679 A683	E679-D681 PolarHBondContact O-N 3.24Å; D681-A683 PolarHBondContact O-N 3.44Å
682	G	31.7	Very low	32.3	Very low	73 Å²	73	139.1 Å²	139.1	75%	0.753	81%	0.809	S	S	*	*	S	Bend	trans	-71.9	120.8	-148.7	0	0	0	0	0	117.4
683	A	34.2	Very low	32.6	Very low	94 Å²	94	138.8 Å²	138.8	78%	0.777	81%	0.814	S	S	*	*			trans	-155.9	81.2	156.8	0	0	0	0	0	112.7	D681	D681-A683 PolarHBondContact O-N 3.44Å
684	T	31.3	Very low	32.5	Very low	143 Å²	143	138.9 Å²	138.9	88%	0.877	82%	0.822	S	S	*	*			trans	-76.5	142.1	160.1	44.4	0	0	0	0	109.8
685	P	33.8	Very low	32.9	Very low	109 Å²	109	141.8 Å²	141.8	71%	0.708	83%	0.83	S	S	*	*				-147.1	141	112.8	35.1	-19.3	0	0	0	115.5
686	I	34.1	Very low	33.1	Very low	224 Å²	224	141.3 Å²	141.3	100%	1.149	84%	0.835	S	S	*	*			trans	53.8	0	149.2	-49.2	171.7	0	0	0	116

Retrieved 686 of 686 residues in 1076.8 ms (Link to these results)

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