A0A077ZE10_TRITR Loading...

Neuferricin

AlphaFold DB , UniProt , Accession A0A077ZE10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 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	55.9	Low	64.4	Low	205 Å²	205	121.5 Å²	121.5	100%	1.01	62%	0.621	S	S	*	*				0	-54.7	0	-83	172.8	160.4	0	0	112.7	R3 L4 T5	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.49Å; M1-L4 PolarHBondContact O-N 2.72Å; M1-T5 PolarHBondContact O-N 3.02Å; M1-T5 PolarHBondContact O-OG1 3.17Å
2	I	56.2	Low	64.6	Low	145 Å²	145	117.2 Å²	117.2	74%	0.744	61%	0.609	S	S	*	*	H	α-helix	trans	-55.9	-37.2	-174.6	-60.9	169.7	0	0	0	114.4	T5 L6	I2-T5 WeakPolarHBondContact CA-OG1 3.19Å; I2-T5 PolarHBondContact O-OG1 3.09Å; I2-L6 PolarHBondContact O-N 3.14Å
3	R	61.4	Low	64.9	Low	236 Å²	236	115.1 Å²	115.1	89%	0.891	60%	0.604	S	S	*	*	H	α-helix	trans	-69.9	-32.5	177.3	-76.9	-173	178	-178.9	-0.4	114.1	M1 G7	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.49Å; R3-G7 PolarHBondContact O-N 2.93Å
4	L	55.9	Low	64.7	Low	111 Å²	111	110.2 Å²	110.2	58%	0.581	59%	0.589	S	S	*	*	H	α-helix	trans	-74.7	-40.3	176.9	-96.7	100.4	0	0	0	111.3	M1 L6 G7 V8	M1-L4 PolarHBondContact O-N 2.72Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 3.49Å; L4-G7 PolarHBondContact O-N 3.32Å; L4-V8 WeakPolarHBondContact O-CG2 3.25Å; L4-V8 PolarHBondContact O-N 3.36Å; L4-V8 VanDerWaalsContact O-N 3.11Å
5	T	64.9	Low	64.3	Low	85 Å²	85	107.6 Å²	107.6	52%	0.521	57%	0.574	S	S	.	*	H	α-helix	trans	-65.8	-37.7	179.9	50.5	0	0	0	0	111.9	M1 I2 F9	M1-T5 PolarHBondContact O-N 3.02Å; M1-T5 PolarHBondContact O-OG1 3.17Å; I2-T5 WeakPolarHBondContact CA-OG1 3.19Å; I2-T5 PolarHBondContact O-OG1 3.09Å; T5-F9 PolarHBondContact O-N 3.29Å; T5-F9 VanDerWaalsContact O-N 3.08Å
6	L	71.8	Confident	64.3	Low	113 Å²	113	104.8 Å²	104.8	59%	0.592	58%	0.579	S	S	*	*	H	α-helix	trans	-66	-39.7	175.7	-161.5	74.3	0	0	0	111.8	I2 L4 F9 L10	I2-L6 PolarHBondContact O-N 3.14Å; L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 3.49Å; L6-F9 PolarHBondContact O-N 3.41Å; L6-L10 HydrophobicContact CG-CD1 4.31Å; L6-L10 WeakPolarHBondContact O-CG 3.15Å; L6-L10 PolarHBondContact O-N 3Å
7	G	66.4	Low	64.4	Low	36 Å²	36	109.5 Å²	109.5	37%	0.371	59%	0.587	S	S	.	*	H	α-helix	trans	-62.2	-44.8	176.6	0	0	0	0	0	113	R3 L4 V11	R3-G7 PolarHBondContact O-N 2.93Å; L4-G7 PolarHBondContact O-N 3.32Å; G7-V11 VanDerWaalsContact O-CG2 3.25Å; G7-V11 WeakPolarHBondContact O-CG2 3.48Å; G7-V11 PolarHBondContact O-N 2.89Å
8	V	68.5	Low	64.2	Low	93 Å²	93	111 Å²	111	56%	0.564	58%	0.584	S	S	*	*	H	α-helix	trans	-65.4	-41.2	176.9	177.6	0	0	0	0	111.2	L4 V11 S12	L4-V8 WeakPolarHBondContact O-CG2 3.25Å; L4-V8 PolarHBondContact O-N 3.36Å; L4-V8 VanDerWaalsContact O-N 3.11Å; V8-V11 PolarHBondContact O-N 2.64Å; V8-S12 PolarHBondContact O-N 3.47Å; V8-S12 PolarHBondContact O-OG 2.83Å
9	F	71.2	Confident	64	Low	150 Å²	150	113.4 Å²	113.4	66%	0.658	60%	0.598	S	S	*	*	H	α-helix	trans	-65	-44.6	179.1	-117.8	-85.8	0	0	0	113.1	T5 L6 V11 S12 V13	T5-F9 PolarHBondContact O-N 3.29Å; T5-F9 VanDerWaalsContact O-N 3.08Å; L6-F9 PolarHBondContact O-N 3.41Å; F9-V11 VanDerWaalsContact C-N 3.27Å; F9-V11 PolarHBondContact O-N 3.11Å; F9-S12 PolarHBondContact O-N 3.04Å; F9-V13 WeakPolarHBondContact O-CG2 3.43Å; F9-V13 PolarHBondContact O-N 3.27Å
10	L	72.1	Confident	63.6	Low	112 Å²	112	113.7 Å²	113.7	59%	0.586	59%	0.594	S	S	*	*	H	α-helix	trans	-63.4	-35.6	178.2	-70.5	174	0	0	0	111.8	L6 A14	L6-L10 HydrophobicContact CG-CD1 4.31Å; L6-L10 WeakPolarHBondContact O-CG 3.15Å; L6-L10 PolarHBondContact O-N 3Å; L10-A14 WeakPolarHBondContact O-CB 3.42Å; L10-A14 PolarHBondContact O-N 3.13Å
11	V	64.1	Low	63.3	Low	51 Å²	51	113.7 Å²	113.7	31%	0.309	60%	0.601	S	S	.	*	H	α-helix	trans	-65.8	-46.9	174.6	163.3	0	0	0	0	111.4	G7 V8 F9 V13 A14 I15 F29	G7-V11 VanDerWaalsContact O-CG2 3.25Å; G7-V11 WeakPolarHBondContact O-CG2 3.48Å; G7-V11 PolarHBondContact O-N 2.89Å; V8-V11 PolarHBondContact O-N 2.64Å; F9-V11 VanDerWaalsContact C-N 3.27Å; F9-V11 PolarHBondContact O-N 3.11Å; V11-V13 VanDerWaalsContact C-N 3.3Å; V11-V13 PolarHBondContact O-N 3.18Å; V11-A14 WeakPolarHBondContact O-CB 3.27Å; V11-A14 PolarHBondContact O-N 3.26Å; V11-A14 VanDerWaalsContact O-N 3.13Å; V11-I15 HydrophobicContact CG1-CD1 3.82Å; V11-I15 HydrophobicContact CG1-CG1 4.45Å; V11-I15 VanDerWaalsContact O-CG1 3.28Å; V11-I15 WeakPolarHBondContact O-CG1 3.19Å; V11-I15 PolarHBondContact O-N 3.32Å; V11-F29 HydrophobicContact CB-CE1 4.43Å; V11-F29 HydrophobicContact CG1-CD1 3.95Å; V11-F29 HydrophobicContact CG1-CE1 3.23Å; V11-F29 HydrophobicContact CG1-CZ 3.99Å; V11-F29 HydrophobicContact CG2-CE1 4.34Å
12	S	66.9	Low	63.6	Low	69 Å²	69	107.3 Å²	107.3	48%	0.483	57%	0.573	S	S	.	*	H	α-helix	trans	-61	-39.6	178.2	-53.5	0	0	0	0	112.3	V8 F9 I15 G16	V8-S12 PolarHBondContact O-N 3.47Å; V8-S12 PolarHBondContact O-OG 2.83Å; F9-S12 PolarHBondContact O-N 3.04Å; S12-I15 PolarHBondContact O-N 3.46Å; S12-G16 PolarHBondContact O-N 3.18Å; S12-G16 VanDerWaalsContact O-N 3.07Å
13	V	68.3	Low	64.1	Low	90 Å²	90	105.3 Å²	105.3	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-65.2	-41	174.6	173.9	0	0	0	0	110.9	F9 V11 I15 G16 Y17	F9-V13 WeakPolarHBondContact O-CG2 3.43Å; F9-V13 PolarHBondContact O-N 3.27Å; V11-V13 VanDerWaalsContact C-N 3.3Å; V11-V13 PolarHBondContact O-N 3.18Å; V13-I15 PolarHBondContact O-N 2.82Å; V13-G16 PolarHBondContact O-N 3.14Å; V13-Y17 VanDerWaalsContact O-CB 3.31Å; V13-Y17 WeakPolarHBondContact O-CB 3.39Å; V13-Y17 PolarHBondContact O-N 3.45Å
14	A	61.7	Low	64.4	Low	47 Å²	47	98.5 Å²	98.5	39%	0.388	56%	0.558	S	S	.	*	H	α-helix	trans	-64.2	-38.5	176.5	0	0	0	0	0	112.8	L10 V11 Y17 Y18	L10-A14 WeakPolarHBondContact O-CB 3.42Å; L10-A14 PolarHBondContact O-N 3.13Å; V11-A14 WeakPolarHBondContact O-CB 3.27Å; V11-A14 PolarHBondContact O-N 3.26Å; V11-A14 VanDerWaalsContact O-N 3.13Å; A14-Y17 PolarHBondContact O-N 3.04Å; A14-Y18 PolarHBondContact O-N 2.88Å
15	I	59.4	Low	65	Low	71 Å²	71	95.8 Å²	95.8	36%	0.364	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-40.7	176	-65.5	169.1	0	0	0	111.4	V11 S12 V13 Y18 F25 F29	V11-I15 HydrophobicContact CG1-CD1 3.82Å; V11-I15 HydrophobicContact CG1-CG1 4.45Å; V11-I15 VanDerWaalsContact O-CG1 3.28Å; V11-I15 WeakPolarHBondContact O-CG1 3.19Å; V11-I15 PolarHBondContact O-N 3.32Å; S12-I15 PolarHBondContact O-N 3.46Å; V13-I15 PolarHBondContact O-N 2.82Å; I15-Y18 VanDerWaalsContact O-O 3.13Å; I15-F25 HydrophobicContact CD1-CE1 3.94Å; I15-F25 HydrophobicContact CD1-CZ 4.23Å; I15-F25 HydrophobicContact CG1-CE1 3.64Å; I15-F25 HydrophobicContact CG1-CZ 3.62Å; I15-F29 HydrophobicContact CD1-CD1 4.46Å
16	G	63.4	Low	65.3	Low	63 Å²	63	96.5 Å²	96.5	65%	0.649	55%	0.546	S	S	*	.	H	α-helix	trans	-73.8	-27.4	177.3	0	0	0	0	0	113.7	S12 V13	S12-G16 PolarHBondContact O-N 3.18Å; S12-G16 VanDerWaalsContact O-N 3.07Å; V13-G16 PolarHBondContact O-N 3.14Å
17	Y	67.3	Low	65.4	Low	184 Å²	184	96.1 Å²	96.1	72%	0.722	55%	0.548	S	S	*	.	H	α-helix	trans	-85.3	-33.6	-178.2	-161.5	-95	0	0	0	113.1	V13 A14	V13-Y17 VanDerWaalsContact O-CB 3.31Å; V13-Y17 WeakPolarHBondContact O-CB 3.39Å; V13-Y17 PolarHBondContact O-N 3.45Å; A14-Y17 PolarHBondContact O-N 3.04Å
18	Y	60.1	Low	65.8	Low	137 Å²	137	101.7 Å²	101.7	54%	0.537	56%	0.559	S	S	.	*	S	Bend	trans	-112.9	99.8	175.2	-64.8	-87.1	0	0	0	108.4	A14 I15 F20	A14-Y18 PolarHBondContact O-N 2.88Å; I15-Y18 VanDerWaalsContact O-O 3.13Å; Y18-F20 HydrophobicContact CD1-CE2 4.03Å; Y18-F20 HydrophobicContact CD2-CE2 4.49Å; Y18-F20 HydrophobicContact CG-CD2 4.22Å; Y18-F20 AromaticContact CG-CE2 3.71Å; Y18-F20 HydrophobicContact CG-CE2 3.71Å; Y18-F20 WeakPolarHBondContact O-CD2 3.3Å; Y18-F20 PolarHBondContact O-N 2.81Å
19	D	61	Low	66.1	Low	157 Å²	157	99.3 Å²	99.3	84%	0.84	54%	0.541	S	S	*	.			trans	-53.7	81.4	169.9	-87.5	-40.6	0	0	0	110.6	P21	D19-P21 WeakPolarHBondContact O-CD 3.46Å
20	F	55.5	Low	66.2	Low	119 Å²	119	94.1 Å²	94.1	52%	0.522	53%	0.53	S	S	.	.			trans	-106	77.4	179.1	-82.7	-67.7	0	0	0	110.6	Y18 T22 F25	Y18-F20 HydrophobicContact CD1-CE2 4.03Å; Y18-F20 HydrophobicContact CD2-CE2 4.49Å; Y18-F20 HydrophobicContact CG-CD2 4.22Å; Y18-F20 AromaticContact CG-CE2 3.71Å; Y18-F20 HydrophobicContact CG-CE2 3.71Å; Y18-F20 WeakPolarHBondContact O-CD2 3.3Å; Y18-F20 PolarHBondContact O-N 2.81Å; F20-T22 VanDerWaalsContact C-N 3.34Å; F20-T22 PolarHBondContact O-N 3.2Å; F20-F25 HydrophobicContact CB-CD2 4.42Å
21	P	57.1	Low	66.5	Low	114 Å²	114	97.3 Å²	97.3	74%	0.74	53%	0.534	S	S	*	.			trans	-90.7	75.4	166.4	36.5	-30.6	0	0	0	108.4	D19	D19-P21 WeakPolarHBondContact O-CD 3.46Å
22	T	61.4	Low	67.2	Low	71 Å²	71	98.3 Å²	98.3	44%	0.436	54%	0.537	S	S	.	.			trans	-109	139.3	157.6	63.2	0	0	0	0	109.1	F20 S24 F25 V26	F20-T22 VanDerWaalsContact C-N 3.34Å; F20-T22 PolarHBondContact O-N 3.2Å; T22-S24 PolarHBondContact O-N 3.27Å; T22-S24 VanDerWaalsContact O-N 3.07Å; T22-F25 WeakPolarHBondContact O-CB 3.23Å; T22-F25 PolarHBondContact O-N 3.4Å; T22-V26 PolarHBondContact O-N 3.07Å
23	P	67.9	Low	67.8	Low	103 Å²	103	98.9 Å²	98.9	67%	0.669	54%	0.538	S	S	*	.	H	α-helix	trans	-51.1	-34.9	178.6	-27.2	33.7	0	0	0	112.8	F25 V26 V27	P23-F25 VanDerWaalsContact C-N 3.31Å; P23-F25 PolarHBondContact O-N 2.91Å; P23-V26 PolarHBondContact O-N 2.95Å; P23-V27 VanDerWaalsContact O-CG2 3.28Å; P23-V27 WeakPolarHBondContact O-CG2 3.42Å; P23-V27 PolarHBondContact O-N 2.85Å
24	S	68.4	Low	68.4	Low	92 Å²	92	100.1 Å²	100.1	64%	0.643	54%	0.541	S	S	*	.	H	α-helix	trans	-59.1	-38.5	177.5	-51.7	0	0	0	0	113.2	T22 Y28	T22-S24 PolarHBondContact O-N 3.27Å; T22-S24 VanDerWaalsContact O-N 3.07Å; S24-Y28 VanDerWaalsContact O-CB 3.31Å; S24-Y28 WeakPolarHBondContact O-CB 3.31Å; S24-Y28 PolarHBondContact O-N 2.85Å
25	F	68	Low	69.5	Low	55 Å²	55	103.2 Å²	103.2	24%	0.241	55%	0.548	C	S	.	.	H	α-helix	trans	-69.2	-45.5	178	-169.7	-87.1	0	0	0	110.9	I15 F20 T22 P23 V27 Y28 F29	I15-F25 HydrophobicContact CD1-CE1 3.94Å; I15-F25 HydrophobicContact CD1-CZ 4.23Å; I15-F25 HydrophobicContact CG1-CE1 3.64Å; I15-F25 HydrophobicContact CG1-CZ 3.62Å; F20-F25 HydrophobicContact CB-CD2 4.42Å; T22-F25 WeakPolarHBondContact O-CB 3.23Å; T22-F25 PolarHBondContact O-N 3.4Å; P23-F25 VanDerWaalsContact C-N 3.31Å; P23-F25 PolarHBondContact O-N 2.91Å; F25-V27 VanDerWaalsContact C-N 3.33Å; F25-V27 PolarHBondContact O-N 2.94Å; F25-Y28 PolarHBondContact O-N 3.17Å; F25-F29 AromaticContact CD1-CD2 3.48Å; F25-F29 HydrophobicContact CD1-CD2 3.48Å; F25-F29 VanDerWaalsContact CD1-CD2 3.48Å; F25-F29 AromaticContact CD1-CE2 3.95Å; F25-F29 HydrophobicContact CD1-CE2 3.95Å; F25-F29 HydrophobicContact CD1-CG 4.35Å; F25-F29 AromaticContact CD2-CD2 3.92Å; F25-F29 HydrophobicContact CD2-CD2 3.92Å; F25-F29 AromaticContact CD2-CE2 3.67Å; F25-F29 HydrophobicContact CD2-CE2 3.67Å; F25-F29 AromaticContact CE1-CD2 3.21Å; F25-F29 HydrophobicContact CE1-CD2 3.21Å; F25-F29 AromaticContact CE1-CE2 3.4Å; F25-F29 HydrophobicContact CE1-CE2 3.4Å; F25-F29 AromaticContact CE1-CG 3.95Å; F25-F29 HydrophobicContact CE1-CG 3.95Å; F25-F29 HydrophobicContact CE1-CZ 4.21Å; F25-F29 AromaticContact CE2-CD2 3.73Å; F25-F29 HydrophobicContact CE2-CD2 3.73Å; F25-F29 AromaticContact CE2-CE2 3.12Å; F25-F29 HydrophobicContact CE2-CE2 3.12Å; F25-F29 AromaticContact CE2-CZ 3.98Å; F25-F29 HydrophobicContact CE2-CZ 3.98Å; F25-F29 AromaticContact CG-CD2 3.82Å; F25-F29 HydrophobicContact CG-CD2 3.82Å; F25-F29 HydrophobicContact CG-CE2 4.07Å; F25-F29 AromaticContact CZ-CD2 3.36Å; F25-F29 HydrophobicContact CZ-CD2 3.36Å; F25-F29 AromaticContact CZ-CE2 2.95Å; F25-F29 HydrophobicContact CZ-CE2 2.95Å; F25-F29 HydrophobicContact CZ-CG 4.31Å; F25-F29 AromaticContact CZ-CZ 3.6Å; F25-F29 HydrophobicContact CZ-CZ 3.6Å; F25-F29 WeakPolarHBondContact O-CB 3.46Å; F25-F29 WeakPolarHBondContact O-CD2 3.48Å; F25-F29 PolarHBondContact O-N 3.03Å
26	V	71.5	Confident	70.6	Confident	100 Å²	100	102.5 Å²	102.5	61%	0.606	55%	0.549	S	S	*	.	H	α-helix	trans	-61.3	-41.7	177	-179.3	0	0	0	0	111.3	T22 P23 G30	T22-V26 PolarHBondContact O-N 3.07Å; P23-V26 PolarHBondContact O-N 2.95Å; V26-G30 WeakPolarHBondContact O-CA 3.23Å; V26-G30 PolarHBondContact O-N 3.14Å
27	V	74.4	Confident	71.5	Confident	105 Å²	105	103.9 Å²	103.9	64%	0.636	54%	0.541	S	S	*	.	H	α-helix	trans	-65.1	-46.5	176.4	172.6	0	0	0	0	111.2	P23 F25 G30 R31	P23-V27 VanDerWaalsContact O-CG2 3.28Å; P23-V27 WeakPolarHBondContact O-CG2 3.42Å; P23-V27 PolarHBondContact O-N 2.85Å; F25-V27 VanDerWaalsContact C-N 3.33Å; F25-V27 PolarHBondContact O-N 2.94Å; V27-G30 PolarHBondContact O-N 3.21Å; V27-R31 WeakPolarHBondContact O-CB 3.33Å; V27-R31 PolarHBondContact O-N 3.37Å
28	Y	74.3	Confident	72.2	Confident	152 Å²	152	98.6 Å²	98.6	60%	0.596	53%	0.525	S	S	*	.	H	α-helix	trans	-64.4	-46.7	-179.6	-175.6	-95.4	0	0	0	112	S24 F25 R31 L32	S24-Y28 VanDerWaalsContact O-CB 3.31Å; S24-Y28 WeakPolarHBondContact O-CB 3.31Å; S24-Y28 PolarHBondContact O-N 2.85Å; F25-Y28 PolarHBondContact O-N 3.17Å; Y28-R31 WeakPolarHBondContact O-CB 3.2Å; Y28-R31 PolarHBondContact O-N 2.76Å; Y28-L32 PolarHBondContact O-N 2.85Å
29	F	73.5	Confident	73.5	Confident	44 Å²	44	101.1 Å²	101.1	19%	0.193	53%	0.534	C	S	.	.	H	α-helix	trans	-67.7	-38.9	176.7	-85.9	-82.4	0	0	0	112.3	V11 I15 F25 R31 L32 V33	V11-F29 HydrophobicContact CB-CE1 4.43Å; V11-F29 HydrophobicContact CG1-CD1 3.95Å; V11-F29 HydrophobicContact CG1-CE1 3.23Å; V11-F29 HydrophobicContact CG1-CZ 3.99Å; V11-F29 HydrophobicContact CG2-CE1 4.34Å; I15-F29 HydrophobicContact CD1-CD1 4.46Å; F25-F29 AromaticContact CD1-CD2 3.48Å; F25-F29 HydrophobicContact CD1-CD2 3.48Å; F25-F29 VanDerWaalsContact CD1-CD2 3.48Å; F25-F29 AromaticContact CD1-CE2 3.95Å; F25-F29 HydrophobicContact CD1-CE2 3.95Å; F25-F29 HydrophobicContact CD1-CG 4.35Å; F25-F29 AromaticContact CD2-CD2 3.92Å; F25-F29 HydrophobicContact CD2-CD2 3.92Å; F25-F29 AromaticContact CD2-CE2 3.67Å; F25-F29 HydrophobicContact CD2-CE2 3.67Å; F25-F29 AromaticContact CE1-CD2 3.21Å; F25-F29 HydrophobicContact CE1-CD2 3.21Å; F25-F29 AromaticContact CE1-CE2 3.4Å; F25-F29 HydrophobicContact CE1-CE2 3.4Å; F25-F29 AromaticContact CE1-CG 3.95Å; F25-F29 HydrophobicContact CE1-CG 3.95Å; F25-F29 HydrophobicContact CE1-CZ 4.21Å; F25-F29 AromaticContact CE2-CD2 3.73Å; F25-F29 HydrophobicContact CE2-CD2 3.73Å; F25-F29 AromaticContact CE2-CE2 3.12Å; F25-F29 HydrophobicContact CE2-CE2 3.12Å; F25-F29 AromaticContact CE2-CZ 3.98Å; F25-F29 HydrophobicContact CE2-CZ 3.98Å; F25-F29 AromaticContact CG-CD2 3.82Å; F25-F29 HydrophobicContact CG-CD2 3.82Å; F25-F29 HydrophobicContact CG-CE2 4.07Å; F25-F29 AromaticContact CZ-CD2 3.36Å; F25-F29 HydrophobicContact CZ-CD2 3.36Å; F25-F29 AromaticContact CZ-CE2 2.95Å; F25-F29 HydrophobicContact CZ-CE2 2.95Å; F25-F29 HydrophobicContact CZ-CG 4.31Å; F25-F29 AromaticContact CZ-CZ 3.6Å; F25-F29 HydrophobicContact CZ-CZ 3.6Å; F25-F29 WeakPolarHBondContact O-CB 3.46Å; F25-F29 WeakPolarHBondContact O-CD2 3.48Å; F25-F29 PolarHBondContact O-N 3.03Å; F29-R31 VanDerWaalsContact C-N 3.29Å; F29-R31 PolarHBondContact O-N 2.9Å; F29-L32 HydrophobicContact CE1-CD2 4.46Å; F29-L32 PolarHBondContact O-N 3.46Å; F29-V33 WeakPolarHBondContact O-CB 3.35Å; F29-V33 VanDerWaalsContact O-CG2 3.28Å; F29-V33 WeakPolarHBondContact O-CG2 3.3Å; F29-V33 PolarHBondContact O-N 2.9Å
30	G	74	Confident	74.6	Confident	41 Å²	41	98.5 Å²	98.5	42%	0.423	52%	0.52	S	S	.	.	H	α-helix	trans	-56.1	-44.4	171.8	0	0	0	0	0	111.6	V26 V27 N34	V26-G30 WeakPolarHBondContact O-CA 3.23Å; V26-G30 PolarHBondContact O-N 3.14Å; V27-G30 PolarHBondContact O-N 3.21Å; G30-N34 VanDerWaalsContact O-CB 3.3Å; G30-N34 WeakPolarHBondContact O-CB 3.45Å; G30-N34 PolarHBondContact O-N 3.2Å
31	R	78.2	Confident	76.1	Confident	178 Å²	178	97.1 Å²	97.1	67%	0.672	52%	0.521	S	S	*	.	H	α-helix	trans	-62.6	-47.8	175.9	-159.6	-178.5	-159.2	155.8	7.3	112.1	V27 Y28 F29 V33 N34 E35	V27-R31 WeakPolarHBondContact O-CB 3.33Å; V27-R31 PolarHBondContact O-N 3.37Å; Y28-R31 WeakPolarHBondContact O-CB 3.2Å; Y28-R31 PolarHBondContact O-N 2.76Å; F29-R31 VanDerWaalsContact C-N 3.29Å; F29-R31 PolarHBondContact O-N 2.9Å; R31-V33 PolarHBondContact O-N 3.46Å; R31-N34 PolarHBondContact O-N 3.03Å; R31-E35 IonicContact NE-OE1 2.83Å; R31-E35 WeakPolarHBondContact O-CB 3.4Å; R31-E35 WeakPolarHBondContact O-CG 3.2Å; R31-E35 PolarHBondContact O-N 3.28Å
32	L	79.7	Confident	77.5	Confident	72 Å²	72	99.6 Å²	99.6	38%	0.377	52%	0.515	S	S	.	.	H	α-helix	trans	-62.3	-41.3	179.9	-169.7	77.8	0	0	0	112.3	Y28 F29 S36	Y28-L32 PolarHBondContact O-N 2.85Å; F29-L32 HydrophobicContact CE1-CD2 4.46Å; F29-L32 PolarHBondContact O-N 3.46Å; L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 2.92Å; L32-S36 PolarHBondContact O-OG 3.44Å
33	V	79	Confident	78.8	Confident	82 Å²	82	104 Å²	104	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-66.4	-44	176.2	172.7	0	0	0	0	110.1	F29 R31 S36 L37	F29-V33 WeakPolarHBondContact O-CB 3.35Å; F29-V33 VanDerWaalsContact O-CG2 3.28Å; F29-V33 WeakPolarHBondContact O-CG2 3.3Å; F29-V33 PolarHBondContact O-N 2.9Å; R31-V33 PolarHBondContact O-N 3.46Å; V33-S36 PolarHBondContact O-N 3.2Å; V33-L37 HydrophobicContact CG1-CD1 3.93Å; V33-L37 HydrophobicContact CG1-CG 4.33Å; V33-L37 WeakPolarHBondContact O-CB 3.24Å; V33-L37 WeakPolarHBondContact O-CG 3.33Å; V33-L37 PolarHBondContact O-N 2.83Å
34	N	80.3	Confident	79.7	Confident	115 Å²	115	101.8 Å²	101.8	62%	0.615	52%	0.516	S	S	*	.	H	α-helix	trans	-65.9	-41.4	-179.7	-155.1	35.9	0	0	0	112.1	G30 R31 S36 L37 D38	G30-N34 VanDerWaalsContact O-CB 3.3Å; G30-N34 WeakPolarHBondContact O-CB 3.45Å; G30-N34 PolarHBondContact O-N 3.2Å; R31-N34 PolarHBondContact O-N 3.03Å; N34-S36 VanDerWaalsContact C-N 3.33Å; N34-S36 PolarHBondContact O-N 3.47Å; N34-L37 PolarHBondContact O-N 2.8Å; N34-D38 WeakPolarHBondContact O-CB 3.36Å; N34-D38 PolarHBondContact O-N 2.98Å
35	E	85.9	Confident	80.6	Confident	112 Å²	112	101 Å²	101	52%	0.523	51%	0.51	S	S	.	.	H	α-helix	trans	-62.9	-38.9	173.4	-75.1	176.4	-172.3	0	0	112.2	R31 R39	R31-E35 IonicContact NE-OE1 2.83Å; R31-E35 WeakPolarHBondContact O-CB 3.4Å; R31-E35 WeakPolarHBondContact O-CG 3.2Å; R31-E35 PolarHBondContact O-N 3.28Å; E35-R39 WeakPolarHBondContact O-CB 3.26Å; E35-R39 PolarHBondContact O-N 3.17Å
36	S	81.2	Confident	81.4	Confident	56 Å²	56	100.9 Å²	100.9	39%	0.392	52%	0.518	S	S	.	.	H	α-helix	trans	-67.8	-41.7	176.9	-61.6	0	0	0	0	112	L32 V33 N34 R39 L40	L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 2.92Å; L32-S36 PolarHBondContact O-OG 3.44Å; V33-S36 PolarHBondContact O-N 3.2Å; N34-S36 VanDerWaalsContact C-N 3.33Å; N34-S36 PolarHBondContact O-N 3.47Å; S36-R39 PolarHBondContact O-N 2.96Å; S36-L40 WeakPolarHBondContact O-CG 3.45Å; S36-L40 PolarHBondContact O-N 3.14Å
37	L	82.8	Confident	82.2	Confident	92 Å²	92	99.5 Å²	99.5	48%	0.482	51%	0.507	S	S	.	.	H	α-helix	trans	-66.1	-41.5	175.7	-73.8	173.3	0	0	0	112	V33 N34 L40 T41	V33-L37 HydrophobicContact CG1-CD1 3.93Å; V33-L37 HydrophobicContact CG1-CG 4.33Å; V33-L37 WeakPolarHBondContact O-CB 3.24Å; V33-L37 WeakPolarHBondContact O-CG 3.33Å; V33-L37 PolarHBondContact O-N 2.83Å; N34-L37 PolarHBondContact O-N 2.8Å; L37-L40 PolarHBondContact O-N 3.25Å; L37-T41 WeakPolarHBondContact O-CB 3.44Å; L37-T41 PolarHBondContact O-N 2.66Å; L37-T41 PolarHBondContact O-OG1 3.43Å
38	D	83	Confident	82.6	Confident	74 Å²	74	97 Å²	97	40%	0.396	50%	0.498	S	S	.	.	H	α-helix	trans	-60.8	-45.3	174	176	65.8	0	0	0	111.2	N34 L40 T41 R42	N34-D38 WeakPolarHBondContact O-CB 3.36Å; N34-D38 PolarHBondContact O-N 2.98Å; D38-L40 PolarHBondContact O-N 3.31Å; D38-T41 PolarHBondContact O-N 3.08Å; D38-R42 WeakPolarHBondContact O-CB 3.35Å; D38-R42 WeakPolarHBondContact O-CG 3.37Å; D38-R42 PolarHBondContact O-N 2.98Å; D38-R42 IonicContact OD1-NE 2.91Å; D38-R42 IonicContact OD2-CZ 3.24Å; D38-R42 IonicContact OD2-NE 3.98Å; D38-R42 PolarHBondContact OD2-NE 2.88Å; D38-R42 IonicContact OD2-NH2 3.68Å; D38-R42 PolarHBondContact OD2-NH2 3.36Å
39	R	85.9	Confident	83.1	Confident	189 Å²	189	93.1 Å²	93.1	71%	0.713	49%	0.489	S	S	*	.	H	α-helix	trans	-63	-40.9	178.1	-164.6	178.9	-169.3	-143.5	2.8	112.5	E35 S36 Y43	E35-R39 WeakPolarHBondContact O-CB 3.26Å; E35-R39 PolarHBondContact O-N 3.17Å; S36-R39 PolarHBondContact O-N 2.96Å; R39-Y43 WeakPolarHBondContact O-CB 3.25Å; R39-Y43 PolarHBondContact O-N 3.47Å
40	L	85	Confident	83.3	Confident	103 Å²	103	97.1 Å²	97.1	54%	0.539	51%	0.508	S	S	.	.	H	α-helix	trans	-66.4	-42.2	175.6	-74.1	172.3	0	0	0	111.5	S36 L37 D38 Y43 A44	S36-L40 WeakPolarHBondContact O-CG 3.45Å; S36-L40 PolarHBondContact O-N 3.14Å; L37-L40 PolarHBondContact O-N 3.25Å; D38-L40 PolarHBondContact O-N 3.31Å; L40-Y43 PolarHBondContact O-N 2.8Å; L40-A44 WeakPolarHBondContact O-CB 3.44Å; L40-A44 PolarHBondContact O-N 2.74Å
41	T	85.7	Confident	83.7	Confident	90 Å²	90	100.9 Å²	100.9	55%	0.552	52%	0.515	S	S	*	.	H	α-helix	trans	-62	-47.4	176.9	-57.1	0	0	0	0	110.9	L37 D38 Y43 A44 C45	L37-T41 WeakPolarHBondContact O-CB 3.44Å; L37-T41 PolarHBondContact O-N 2.66Å; L37-T41 PolarHBondContact O-OG1 3.43Å; D38-T41 PolarHBondContact O-N 3.08Å; T41-Y43 VanDerWaalsContact C-N 3.35Å; T41-Y43 PolarHBondContact O-N 2.91Å; T41-A44 PolarHBondContact O-N 3.46Å; T41-C45 VanDerWaalsContact O-CB 3.27Å; T41-C45 WeakPolarHBondContact O-CB 3.32Å; T41-C45 PolarHBondContact O-N 2.81Å
42	R	87.7	Confident	83.6	Confident	165 Å²	165	100 Å²	100	62%	0.623	52%	0.516	S	S	*	.	H	α-helix	trans	-59.7	-42.7	175.3	-76.8	-168.2	-78.3	164.1	-7.1	112.4	D38 C45 A46	D38-R42 WeakPolarHBondContact O-CB 3.35Å; D38-R42 WeakPolarHBondContact O-CG 3.37Å; D38-R42 PolarHBondContact O-N 2.98Å; D38-R42 IonicContact OD1-NE 2.91Å; D38-R42 IonicContact OD2-CZ 3.24Å; D38-R42 IonicContact OD2-NE 3.98Å; D38-R42 PolarHBondContact OD2-NE 2.88Å; D38-R42 IonicContact OD2-NH2 3.68Å; D38-R42 PolarHBondContact OD2-NH2 3.36Å; R42-C45 PolarHBondContact O-N 2.68Å; R42-A46 WeakPolarHBondContact O-CB 3.24Å; R42-A46 PolarHBondContact O-N 3.46Å
43	Y	89.5	Confident	83.5	Confident	164 Å²	164	101.6 Å²	101.6	64%	0.643	52%	0.521	S	S	*	.	H	α-helix	trans	-67	-43.2	177.9	-170.7	-100.3	0	0	0	112.6	R39 L40 T41 A46 I47	R39-Y43 WeakPolarHBondContact O-CB 3.25Å; R39-Y43 PolarHBondContact O-N 3.47Å; L40-Y43 PolarHBondContact O-N 2.8Å; T41-Y43 VanDerWaalsContact C-N 3.35Å; T41-Y43 PolarHBondContact O-N 2.91Å; Y43-A46 PolarHBondContact O-N 2.84Å; Y43-I47 HydrophobicContact CD1-CD1 3.78Å; Y43-I47 HydrophobicContact CE1-CD1 3.33Å; Y43-I47 HydrophobicContact CE1-CG1 4.25Å; Y43-I47 WeakPolarHBondContact O-CG1 3.43Å; Y43-I47 PolarHBondContact O-N 2.86Å
44	A	86.4	Confident	83.1	Confident	57 Å²	57	106.9 Å²	106.9	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-40.6	175.7	0	0	0	0	0	111.8	L40 T41 I47 A48	L40-A44 WeakPolarHBondContact O-CB 3.44Å; L40-A44 PolarHBondContact O-N 2.74Å; T41-A44 PolarHBondContact O-N 3.46Å; A44-I47 PolarHBondContact O-N 3.35Å; A44-A48 WeakPolarHBondContact O-CB 3.31Å; A44-A48 PolarHBondContact O-N 3.37Å
45	C	86.5	Confident	82.5	Confident	76 Å²	76	106.2 Å²	106.2	51%	0.514	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.5	-157	0	0	0	0	111.1	T41 R42 I47 A48 V49	T41-C45 VanDerWaalsContact O-CB 3.27Å; T41-C45 WeakPolarHBondContact O-CB 3.32Å; T41-C45 PolarHBondContact O-N 2.81Å; R42-C45 PolarHBondContact O-N 2.68Å; C45-I47 PolarHBondContact O-N 2.89Å; C45-A48 PolarHBondContact O-N 2.88Å; C45-V49 VanDerWaalsContact O-CG2 3.29Å; C45-V49 WeakPolarHBondContact O-CG2 3.47Å; C45-V49 PolarHBondContact O-N 3.44Å
46	A	85.8	Confident	81.5	Confident	51 Å²	51	103.8 Å²	103.8	42%	0.421	53%	0.528	S	S	.	.	H	α-helix	trans	-60.5	-41.9	175	0	0	0	0	0	112.6	R42 Y43 V49 H50	R42-A46 WeakPolarHBondContact O-CB 3.24Å; R42-A46 PolarHBondContact O-N 3.46Å; Y43-A46 PolarHBondContact O-N 2.84Å; A46-V49 PolarHBondContact O-N 2.89Å; A46-H50 PolarHBondContact O-N 3.42Å
47	I	87.9	Confident	80.5	Confident	72 Å²	72	104.5 Å²	104.5	37%	0.369	53%	0.533	S	S	.	.	H	α-helix	trans	-63.2	-45.2	173.7	-69.8	173.3	0	0	0	110.9	Y43 A44 C45 V49 H50 Q51	Y43-I47 HydrophobicContact CD1-CD1 3.78Å; Y43-I47 HydrophobicContact CE1-CD1 3.33Å; Y43-I47 HydrophobicContact CE1-CG1 4.25Å; Y43-I47 WeakPolarHBondContact O-CG1 3.43Å; Y43-I47 PolarHBondContact O-N 2.86Å; A44-I47 PolarHBondContact O-N 3.35Å; C45-I47 PolarHBondContact O-N 2.89Å; I47-V49 VanDerWaalsContact C-N 3.35Å; I47-V49 PolarHBondContact O-N 3.04Å; I47-H50 PolarHBondContact O-N 2.86Å; I47-Q51 HydrophobicContact CG2-CG 4.23Å; I47-Q51 WeakPolarHBondContact O-CB 3.46Å; I47-Q51 WeakPolarHBondContact O-CG 3.32Å; I47-Q51 PolarHBondContact O-N 2.76Å
48	A	82.8	Confident	79.1	Confident	53 Å²	53	104.8 Å²	104.8	44%	0.438	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-40.2	179.8	0	0	0	0	0	112	A44 C45 Q51 K52	A44-A48 WeakPolarHBondContact O-CB 3.31Å; A44-A48 PolarHBondContact O-N 3.37Å; C45-A48 PolarHBondContact O-N 2.88Å; A48-Q51 PolarHBondContact O-N 3.49Å; A48-K52 VanDerWaalsContact O-CB 3.32Å; A48-K52 WeakPolarHBondContact O-CB 3.34Å; A48-K52 PolarHBondContact O-N 3.28Å
49	V	84.1	Confident	77.9	Confident	70 Å²	70	108.6 Å²	108.6	42%	0.424	55%	0.552	S	S	.	*	H	α-helix	trans	-61	-51	173.2	170.5	0	0	0	0	110.2	C45 A46 I47 Q51 K52 E53	C45-V49 VanDerWaalsContact O-CG2 3.29Å; C45-V49 WeakPolarHBondContact O-CG2 3.47Å; C45-V49 PolarHBondContact O-N 3.44Å; A46-V49 PolarHBondContact O-N 2.89Å; I47-V49 VanDerWaalsContact C-N 3.35Å; I47-V49 PolarHBondContact O-N 3.04Å; V49-Q51 VanDerWaalsContact C-N 3.35Å; V49-Q51 PolarHBondContact O-N 3.41Å; V49-K52 WeakPolarHBondContact O-CB 3.43Å; V49-K52 PolarHBondContact O-N 3.14Å; V49-K52 VanDerWaalsContact O-N 3.16Å; V49-E53 HydrophobicContact CG1-CG 4.45Å; V49-E53 WeakPolarHBondContact O-CG 3.45Å; V49-E53 PolarHBondContact O-N 3.06Å
50	H	77.3	Confident	76.3	Confident	127 Å²	127	101.8 Å²	101.8	59%	0.588	54%	0.535	S	S	*	.	H	α-helix	trans	-63.4	-36.6	177.9	-91.5	-30.6	0	0	0	113.7	A46 I47 E53 R54	A46-H50 PolarHBondContact O-N 3.42Å; I47-H50 PolarHBondContact O-N 2.86Å; H50-E53 IonicContact CE1-OE2 2.83Å; H50-E53 IonicContact CG-OE2 3.9Å; H50-E53 IonicContact ND1-OE2 3.44Å; H50-E53 PolarHBondContact ND1-OE2 3.15Å; H50-R54 WeakPolarHBondContact O-CB 3.25Å; H50-R54 PolarHBondContact O-N 3.03Å
51	Q	82.4	Confident	74.5	Confident	120 Å²	120	104 Å²	104	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-66.5	-40.7	174	-76.8	-178.2	-19.3	0	0	111.4	I47 A48 V49 R54 L55	I47-Q51 HydrophobicContact CG2-CG 4.23Å; I47-Q51 WeakPolarHBondContact O-CB 3.46Å; I47-Q51 WeakPolarHBondContact O-CG 3.32Å; I47-Q51 PolarHBondContact O-N 2.76Å; A48-Q51 PolarHBondContact O-N 3.49Å; V49-Q51 VanDerWaalsContact C-N 3.35Å; V49-Q51 PolarHBondContact O-N 3.41Å; Q51-R54 PolarHBondContact O-N 3.3Å; Q51-L55 WeakPolarHBondContact O-CB 3.44Å; Q51-L55 VanDerWaalsContact O-CG 3.29Å; Q51-L55 WeakPolarHBondContact O-CG 3.22Å; Q51-L55 PolarHBondContact O-N 3.27Å
52	K	77.9	Confident	72.7	Confident	160 Å²	160	104.9 Å²	104.9	70%	0.696	56%	0.558	S	S	*	*	H	α-helix	trans	-63.3	-44.3	174.4	-175.9	-176.9	176.9	-173.5	0	111.4	A48 V49 L55 A56	A48-K52 VanDerWaalsContact O-CB 3.32Å; A48-K52 WeakPolarHBondContact O-CB 3.34Å; A48-K52 PolarHBondContact O-N 3.28Å; V49-K52 WeakPolarHBondContact O-CB 3.43Å; V49-K52 PolarHBondContact O-N 3.14Å; V49-K52 VanDerWaalsContact O-N 3.16Å; K52-L55 PolarHBondContact O-N 3.09Å; K52-A56 VanDerWaalsContact O-CB 3.23Å; K52-A56 WeakPolarHBondContact O-CB 3.37Å; K52-A56 PolarHBondContact O-N 3.09Å
53	E	76.6	Confident	71.2	Confident	105 Å²	105	103.3 Å²	103.3	49%	0.491	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-43.6	174.5	-72.2	171.7	167.3	0	0	111.6	V49 H50 A56 S57	V49-E53 HydrophobicContact CG1-CG 4.45Å; V49-E53 WeakPolarHBondContact O-CG 3.45Å; V49-E53 PolarHBondContact O-N 3.06Å; H50-E53 IonicContact CE1-OE2 2.83Å; H50-E53 IonicContact CG-OE2 3.9Å; H50-E53 IonicContact ND1-OE2 3.44Å; H50-E53 PolarHBondContact ND1-OE2 3.15Å; E53-A56 PolarHBondContact O-N 3.13Å; E53-S57 WeakPolarHBondContact O-CB 3.01Å; E53-S57 PolarHBondContact O-N 2.94Å; E53-S57 PolarHBondContact O-OG 2.88Å
54	R	69.8	Low	69.7	Low	194 Å²	194	103.4 Å²	103.4	73%	0.732	56%	0.564	S	S	*	*	H	α-helix	trans	-62.5	-46.5	175.2	-113	-173.2	178.5	-168.5	0.2	111.8	H50 Q51 S57 T58	H50-R54 WeakPolarHBondContact O-CB 3.25Å; H50-R54 PolarHBondContact O-N 3.03Å; Q51-R54 PolarHBondContact O-N 3.3Å; R54-S57 WeakPolarHBondContact CA-OG 3.47Å; R54-S57 PolarHBondContact O-N 2.85Å; R54-S57 PolarHBondContact O-OG 3.1Å; R54-T58 WeakPolarHBondContact O-CB 3.4Å; R54-T58 PolarHBondContact O-N 2.86Å; R54-T58 PolarHBondContact O-OG1 3.08Å
55	L	68.8	Low	69.3	Low	100 Å²	100	106.3 Å²	106.3	52%	0.524	58%	0.578	S	S	.	*	H	α-helix	trans	-62.6	-46.3	177.1	-73.8	168.9	0	0	0	110.5	Q51 K52 S57 T58 F59	Q51-L55 WeakPolarHBondContact O-CB 3.44Å; Q51-L55 VanDerWaalsContact O-CG 3.29Å; Q51-L55 WeakPolarHBondContact O-CG 3.22Å; Q51-L55 PolarHBondContact O-N 3.27Å; K52-L55 PolarHBondContact O-N 3.09Å; L55-S57 VanDerWaalsContact C-N 3.31Å; L55-S57 PolarHBondContact O-N 3.33Å; L55-T58 PolarHBondContact O-N 3.1Å; L55-F59 HydrophobicContact CB-CD2 4.48Å; L55-F59 HydrophobicContact CD2-CE2 4.17Å; L55-F59 WeakPolarHBondContact O-CD2 3.39Å; L55-F59 PolarHBondContact O-N 3.38Å
56	A	64.5	Low	69.4	Low	62 Å²	62	105.9 Å²	105.9	51%	0.512	57%	0.57	S	S	.	*	H	α-helix	trans	-56.6	-44.2	174.1	0	0	0	0	0	111.6	K52 E53 T58 F59 A60	K52-A56 VanDerWaalsContact O-CB 3.23Å; K52-A56 WeakPolarHBondContact O-CB 3.37Å; K52-A56 PolarHBondContact O-N 3.09Å; E53-A56 PolarHBondContact O-N 3.13Å; A56-T58 VanDerWaalsContact C-N 3.33Å; A56-T58 PolarHBondContact O-N 2.92Å; A56-F59 PolarHBondContact O-N 2.75Å; A56-A60 VanDerWaalsContact O-CB 3.28Å; A56-A60 WeakPolarHBondContact O-CB 3.36Å; A56-A60 PolarHBondContact O-N 3.11Å
57	S	59.7	Low	69.8	Low	71 Å²	71	108.3 Å²	108.3	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-67	-31	176	73.7	0	0	0	0	113.4	E53 R54 L55	E53-S57 WeakPolarHBondContact O-CB 3.01Å; E53-S57 PolarHBondContact O-N 2.94Å; E53-S57 PolarHBondContact O-OG 2.88Å; R54-S57 WeakPolarHBondContact CA-OG 3.47Å; R54-S57 PolarHBondContact O-N 2.85Å; R54-S57 PolarHBondContact O-OG 3.1Å; L55-S57 VanDerWaalsContact C-N 3.31Å; L55-S57 PolarHBondContact O-N 3.33Å
58	T	54.3	Low	70.3	Confident	97 Å²	97	106.7 Å²	106.7	60%	0.595	56%	0.562	S	S	*	*	H	α-helix	trans	-75.9	-36.7	179.4	-49.4	0	0	0	0	110.9	R54 L55 A56	R54-T58 WeakPolarHBondContact O-CB 3.4Å; R54-T58 PolarHBondContact O-N 2.86Å; R54-T58 PolarHBondContact O-OG1 3.08Å; L55-T58 PolarHBondContact O-N 3.1Å; A56-T58 VanDerWaalsContact C-N 3.33Å; A56-T58 PolarHBondContact O-N 2.92Å
59	F	57.2	Low	71.1	Confident	155 Å²	155	104.4 Å²	104.4	68%	0.68	54%	0.542	S	S	*	.	H	α-helix	trans	-82.6	-20.7	176.4	-72.2	-68.9	0	0	0	113.8	L55 A56 N61	L55-F59 HydrophobicContact CB-CD2 4.48Å; L55-F59 HydrophobicContact CD2-CE2 4.17Å; L55-F59 WeakPolarHBondContact O-CD2 3.39Å; L55-F59 PolarHBondContact O-N 3.38Å; A56-F59 PolarHBondContact O-N 2.75Å; F59-N61 PolarHBondContact O-N 3.44Å
60	A	52.8	Low	71.7	Confident	45 Å²	45	102.7 Å²	102.7	37%	0.372	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-63.9	-19.9	174.2	0	0	0	0	0	113.4	A56 S62 E63	A56-A60 VanDerWaalsContact O-CB 3.28Å; A56-A60 WeakPolarHBondContact O-CB 3.36Å; A56-A60 PolarHBondContact O-N 3.11Å; A60-S62 VanDerWaalsContact C-N 3.31Å; A60-S62 PolarHBondContact O-N 3.02Å; A60-E63 WeakPolarHBondContact O-CG 3.29Å
61	N	46.9	Very low	72.7	Confident	149 Å²	149	99.8 Å²	99.8	80%	0.797	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-82	5.4	-177.2	-92	-13.3	0	0	0	115.4	F59 E63	F59-N61 PolarHBondContact O-N 3.44Å; N61-E63 VanDerWaalsContact C-N 3.34Å
62	S	47.8	Very low	73.5	Confident	110 Å²	110	101.1 Å²	101.1	77%	0.769	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-91.7	7.4	169.1	85	0	0	0	0	113.5	A60 Q64	A60-S62 VanDerWaalsContact C-N 3.31Å; A60-S62 PolarHBondContact O-N 3.02Å; S62-Q64 PolarHBondContact O-N 2.53Å
63	E	55.8	Low	74.4	Confident	131 Å²	131	97 Å²	97	61%	0.612	52%	0.521	S	S	*	.			trans	-72.9	115.3	179.5	-71.5	-175.5	173.7	0	0	110.3	A60 N61	A60-E63 WeakPolarHBondContact O-CG 3.29Å; N61-E63 VanDerWaalsContact C-N 3.34Å
64	Q	59.3	Low	75.4	Confident	166 Å²	166	92 Å²	92	78%	0.776	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-48.4	136.8	160	-71.9	-75.9	-27.6	0	0	108.2	S62 L66	S62-Q64 PolarHBondContact O-N 2.53Å; Q64-L66 PolarHBondContact O-N 2.81Å
65	P	76.3	Confident	76.7	Confident	118 Å²	118	85.7 Å²	85.7	77%	0.766	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-53.6	122	177.8	20.2	-30.2	0	0	0	109.3	R67	P65-R67 PolarHBondContact O-N 2.7Å
66	L	88.7	Confident	78.1	Confident	67 Å²	67	85 Å²	85	35%	0.351	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-57.5	130	-179.6	-71.5	178	0	0	0	109.6	Q64 L160	Q64-L66 PolarHBondContact O-N 2.81Å; L66-L160 HydrophobicContact CD1-CD2 3.82Å; L66-L160 HydrophobicContact CD1-CG 4.45Å; L66-L160 HydrophobicContact CD2-CD2 3.99Å; L66-L160 HydrophobicContact CD2-CG 3.91Å
67	R	96	Very high	79.7	Confident	102 Å²	102	82.8 Å²	82.8	39%	0.385	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	137.9	177.7	177.2	175.8	173.5	-148.8	-2.9	109.9	P65 F69 E73 V161 G162 V163	P65-R67 PolarHBondContact O-N 2.7Å; R67-F69 HydrophobicContact CB-CD2 4.32Å; R67-F69 HydrophobicContact CB-CE2 3.77Å; R67-F69 HydrophobicContact CB-CZ 4.31Å; R67-F69 HydrophobicContact CG-CD2 4.04Å; R67-F69 HydrophobicContact CG-CE2 3.78Å; R67-F69 HydrophobicContact CG-CZ 4.13Å; R67-F69 WeakPolarHBondContact O-CD2 3.27Å; R67-E73 IonicContact CZ-OE1 3.88Å; R67-E73 IonicContact NH2-OE1 3.96Å; R67-E73 PolarHBondContact NH2-OE1 3.26Å; R67-V161 PolarHBondContact N-O 2.91Å; R67-G162 CarbonylContact O-C 3.52Å; R67-G162 WeakPolarHBondContact O-CA 3.39Å; R67-V163 PolarHBondContact O-N 2.88Å
68	V	98.1	Very high	81.5	Confident	39 Å²	39	80.3 Å²	80.3	24%	0.236	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.2	167.7	-173.8	0	0	0	0	108.5	V163 Q165	V68-V163 CarbonylContact C-O 3.31Å; V68-V163 WeakPolarHBondContact CA-O 3.07Å; V68-V163 HydrophobicContact CG2-CG2 4.16Å; V68-Q165 HydrophobicContact CG1-CB 3.8Å
69	F	98.4	Very high	83.3	Confident	4 Å²	4	76.7 Å²	76.7	2%	0.018	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.4	177	-65.6	-104.7	0	0	0	109.3	R67 E73 L74 F77 Y87 V94 V163 V164 Q165	R67-F69 HydrophobicContact CB-CD2 4.32Å; R67-F69 HydrophobicContact CB-CE2 3.77Å; R67-F69 HydrophobicContact CB-CZ 4.31Å; R67-F69 HydrophobicContact CG-CD2 4.04Å; R67-F69 HydrophobicContact CG-CE2 3.78Å; R67-F69 HydrophobicContact CG-CZ 4.13Å; R67-F69 WeakPolarHBondContact O-CD2 3.27Å; F69-E73 HydrophobicContact CD1-CB 4.47Å; F69-L74 HydrophobicContact CB-CB 4.34Å; F69-L74 HydrophobicContact CD1-CD1 4.49Å; F69-F77 HydrophobicContact CD1-CE2 4.26Å; F69-F77 HydrophobicContact CE1-CD2 4.21Å; F69-F77 AromaticContact CE1-CE2 3.73Å; F69-F77 HydrophobicContact CE1-CE2 3.73Å; F69-F77 HydrophobicContact CE1-CZ 4.08Å; F69-Y87 HydrophobicContact CE1-CD2 4.19Å; F69-Y87 HydrophobicContact CE1-CE2 4.21Å; F69-Y87 HydrophobicContact CZ-CD2 4.12Å; F69-Y87 AromaticContact CZ-CE2 3.96Å; F69-Y87 HydrophobicContact CZ-CE2 3.96Å; F69-V94 HydrophobicContact CD2-CB 4.4Å; F69-V94 HydrophobicContact CD2-CG1 4.48Å; F69-V94 HydrophobicContact CD2-CG2 3.92Å; F69-V94 HydrophobicContact CE2-CB 4.3Å; F69-V94 HydrophobicContact CE2-CG1 4.18Å; F69-V94 HydrophobicContact CE2-CG2 4.32Å; F69-V94 HydrophobicContact CG-CG2 4.49Å; F69-V94 HydrophobicContact CZ-CG1 4.42Å; F69-V163 PolarHBondContact N-O 3.38Å; F69-V164 CarbonylContact O-C 3.6Å; F69-V164 WeakPolarHBondContact O-CA 3.49Å; F69-Q165 PolarHBondContact O-N 2.82Å
70	S	98.3	Very high	85	Confident	34 Å²	34	73.3 Å²	73.3	24%	0.238	41%	0.412	C	S	.	.			trans	-70.9	158.3	155.9	62.8	0	0	0	0	110.4	Q72 E73 L74	S70-Q72 PolarHBondContact O-N 3.18Å; S70-E73 WeakPolarHBondContact CB-OE2 3.36Å; S70-E73 PolarHBondContact N-OE2 2.98Å; S70-E73 PolarHBondContact O-N 2.89Å; S70-E73 VanDerWaalsContact O-N 3.11Å; S70-E73 WeakPolarHBondContact OG-CB 3.34Å; S70-E73 WeakPolarHBondContact OG-CG 3.47Å; S70-E73 PolarHBondContact OG-N 3.22Å; S70-E73 VanDerWaalsContact OG-N 3.13Å; S70-E73 PolarHBondContact OG-OE2 3.46Å; S70-L74 PolarHBondContact O-N 3.24Å
71	A	97.9	Very high	86.7	Confident	67 Å²	67	81.4 Å²	81.4	55%	0.554	44%	0.439	S	S	*	.	H	α-helix	trans	-56.2	-38.6	174.4	0	0	0	0	0	112.2	L74 S75	A71-L74 PolarHBondContact O-N 3.3Å; A71-S75 PolarHBondContact O-N 2.89Å; A71-S75 VanDerWaalsContact O-N 3.07Å
72	Q	97.7	Very high	88.8	Confident	148 Å²	148	81.6 Å²	81.6	69%	0.692	44%	0.44	S	S	*	.	H	α-helix	trans	-64	-45	175.6	-174.3	179.6	5	0	0	111.7	S70 L74 S75	S70-Q72 PolarHBondContact O-N 3.18Å; Q72-L74 VanDerWaalsContact C-N 3.34Å; Q72-L74 PolarHBondContact O-N 2.88Å; Q72-S75 WeakPolarHBondContact O-CB 3.31Å; Q72-S75 PolarHBondContact O-N 3.44Å; Q72-S75 PolarHBondContact O-OG 3.3Å
73	E	98.1	Very high	90.9	Very high	73 Å²	73	77.6 Å²	77.6	34%	0.341	41%	0.412	S	S	.	.	H	α-helix	trans	-64.4	-39.1	177.1	-75.3	171.3	110	0	0	112.5	R67 F69 S70 S75 H76 F77	R67-E73 IonicContact CZ-OE1 3.88Å; R67-E73 IonicContact NH2-OE1 3.96Å; R67-E73 PolarHBondContact NH2-OE1 3.26Å; F69-E73 HydrophobicContact CD1-CB 4.47Å; S70-E73 WeakPolarHBondContact CB-OE2 3.36Å; S70-E73 PolarHBondContact N-OE2 2.98Å; S70-E73 PolarHBondContact O-N 2.89Å; S70-E73 VanDerWaalsContact O-N 3.11Å; S70-E73 WeakPolarHBondContact OG-CB 3.34Å; S70-E73 WeakPolarHBondContact OG-CG 3.47Å; S70-E73 PolarHBondContact OG-N 3.22Å; S70-E73 VanDerWaalsContact OG-N 3.13Å; S70-E73 PolarHBondContact OG-OE2 3.46Å; E73-S75 VanDerWaalsContact C-N 3.28Å; E73-S75 PolarHBondContact O-N 3.42Å; E73-H76 PolarHBondContact O-N 3.42Å; E73-F77 VanDerWaalsContact O-CD2 3.3Å; E73-F77 WeakPolarHBondContact O-CD2 3.33Å; E73-F77 WeakPolarHBondContact O-CE2 3.44Å
74	L	98.2	Very high	92.7	Very high	1 Å²	1	79 Å²	79	1%	0.005	42%	0.416	C	S	.	.	H	α-helix	trans	-63.3	-35.9	177.3	-176.2	62.2	0	0	0	111.4	F69 S70 A71 Q72 H76 F77 A89 V94 G115 V164	F69-L74 HydrophobicContact CB-CB 4.34Å; F69-L74 HydrophobicContact CD1-CD1 4.49Å; S70-L74 PolarHBondContact O-N 3.24Å; A71-L74 PolarHBondContact O-N 3.3Å; Q72-L74 VanDerWaalsContact C-N 3.34Å; Q72-L74 PolarHBondContact O-N 2.88Å; L74-H76 PolarHBondContact O-N 2.95Å; L74-F77 WeakPolarHBondContact O-CB 3.47Å; L74-F77 PolarHBondContact O-N 3.02Å; L74-A89 HydrophobicContact CD2-CB 3.82Å; L74-V94 HydrophobicContact CD1-CG1 3.71Å; L74-V94 HydrophobicContact CD1-CG2 4.29Å; L74-G115 CarbonylContact C-O 3.22Å; L74-G115 VanDerWaalsContact C-O 3.31Å; L74-G115 VanDerWaalsContact O-CA 3.26Å; L74-G115 WeakPolarHBondContact O-CA 3.35Å; L74-V164 HydrophobicContact CD2-CG2 3.63Å
75	S	97	Very high	94.4	Very high	60 Å²	60	72.3 Å²	72.3	42%	0.42	39%	0.392	S	S	.	.	H	α-helix	trans	-58.5	-21.8	178.6	79.4	0	0	0	0	114.3	A71 Q72 E73 F77 G115	A71-S75 PolarHBondContact O-N 2.89Å; A71-S75 VanDerWaalsContact O-N 3.07Å; Q72-S75 WeakPolarHBondContact O-CB 3.31Å; Q72-S75 PolarHBondContact O-N 3.44Å; Q72-S75 PolarHBondContact O-OG 3.3Å; E73-S75 VanDerWaalsContact C-N 3.28Å; E73-S75 PolarHBondContact O-N 3.42Å; S75-F77 PolarHBondContact O-N 3.05Å; S75-G115 WeakPolarHBondContact CA-O 3.45Å; S75-G115 PolarHBondContact N-O 3.45Å
76	H	97.7	Very high	95.5	Very high	87 Å²	87	67.3 Å²	67.3	40%	0.403	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-0.2	174.3	-61.6	-47.9	0	0	0	114.3	E73 L74 S83 K84	E73-H76 PolarHBondContact O-N 3.42Å; L74-H76 PolarHBondContact O-N 2.95Å; H76-S83 CarbonylContact O-C 3.44Å; H76-S83 VanDerWaalsContact O-CA 3.27Å; H76-S83 WeakPolarHBondContact O-CA 3.28Å; H76-S83 WeakPolarHBondContact O-CB 3.42Å; H76-K84 PolarHBondContact O-N 2.95Å
77	F	98	Very high	95.9	Very high	14 Å²	14	66 Å²	66	6%	0.061	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	35	178.9	-61.5	-94.9	0	0	0	111.6	F69 E73 L74 S75 G79 K84 G85 L86 Y87	F69-F77 HydrophobicContact CD1-CE2 4.26Å; F69-F77 HydrophobicContact CE1-CD2 4.21Å; F69-F77 AromaticContact CE1-CE2 3.73Å; F69-F77 HydrophobicContact CE1-CE2 3.73Å; F69-F77 HydrophobicContact CE1-CZ 4.08Å; E73-F77 VanDerWaalsContact O-CD2 3.3Å; E73-F77 WeakPolarHBondContact O-CD2 3.33Å; E73-F77 WeakPolarHBondContact O-CE2 3.44Å; L74-F77 WeakPolarHBondContact O-CB 3.47Å; L74-F77 PolarHBondContact O-N 3.02Å; S75-F77 PolarHBondContact O-N 3.05Å; F77-G79 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.08Å; F77-K84 HydrophobicContact CD1-CB 4.06Å; F77-K84 HydrophobicContact CE1-CB 3.64Å; F77-K84 HydrophobicContact CZ-CB 3.94Å; F77-K84 HydrophobicContact CZ-CD 4.29Å; F77-G85 CarbonylContact C-O 3.56Å; F77-G85 VanDerWaalsContact CA-O 3.31Å; F77-G85 WeakPolarHBondContact CA-O 3.35Å; F77-L86 CarbonylContact O-C 3.3Å; F77-L86 WeakPolarHBondContact O-CA 3.19Å; F77-Y87 HydrophobicContact CB-CD2 3.78Å; F77-Y87 HydrophobicContact CB-CG 3.77Å; F77-Y87 HydrophobicContact CD1-CD1 4.28Å; F77-Y87 AromaticContact CD1-CD2 3.33Å; F77-Y87 HydrophobicContact CD1-CD2 3.33Å; F77-Y87 HydrophobicContact CD1-CE1 4.22Å; F77-Y87 AromaticContact CD1-CE2 3.26Å; F77-Y87 HydrophobicContact CD1-CE2 3.26Å; F77-Y87 AromaticContact CD1-CG 3.87Å; F77-Y87 HydrophobicContact CD1-CG 3.87Å; F77-Y87 AromaticContact CD1-CZ 3.75Å; F77-Y87 HydrophobicContact CD2-CD2 4.08Å; F77-Y87 HydrophobicContact CD2-CE2 4.46Å; F77-Y87 AromaticContact CE1-CD2 3.87Å; F77-Y87 HydrophobicContact CE1-CD2 3.87Å; F77-Y87 AromaticContact CE1-CE2 3.35Å; F77-Y87 HydrophobicContact CE1-CE2 3.35Å; F77-Y87 AromaticContact CE1-CZ 3.85Å; F77-Y87 AromaticContact CG-CD2 3.45Å; F77-Y87 HydrophobicContact CG-CD2 3.45Å; F77-Y87 VanDerWaalsContact CG-CD2 3.45Å; F77-Y87 AromaticContact CG-CE2 3.87Å; F77-Y87 HydrophobicContact CG-CE2 3.87Å; F77-Y87 AromaticContact CG-CG 3.95Å; F77-Y87 HydrophobicContact CG-CG 3.95Å; F77-Y87 HydrophobicContact CZ-CD2 4.46Å; F77-Y87 HydrophobicContact CZ-CE2 4.03Å; F77-Y87 PolarHBondContact O-N 3.35Å
78	G	96.5	Very high	96.1	Very high	19 Å²	19	61.2 Å²	61.2	20%	0.196	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-80.6	1.3	179.7	0	0	0	0	0	115.5	N80 S83	G78-N80 VanDerWaalsContact C-N 3.3Å; G78-N80 PolarHBondContact O-N 3.48Å; G78-S83 PolarHBondContact N-OG 2.85Å
79	G	93.8	Very high	96.1	Very high	21 Å²	21	59.4 Å²	59.4	22%	0.216	32%	0.32	C	S	.	.			trans	74.2	4.5	180	0	0	0	0	0	116.9	F77 S83 G85 P106	F77-G79 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.08Å; G79-S83 PolarHBondContact N-OG 3.31Å; G79-S83 VanDerWaalsContact N-OG 3.14Å; G79-G85 PolarHBondContact N-O 2.94Å; G79-G85 VanDerWaalsContact N-O 3.14Å; G79-P106 WeakPolarHBondContact O-CD 3.48Å; G79-P106 WeakPolarHBondContact O-CG 3.34Å
80	N	92.1	Very high	96.1	Very high	85 Å²	85	59.2 Å²	59.2	46%	0.455	32%	0.32	S	S	.	.	S	Bend	trans	-72.2	173.5	172.3	65.6	40.2	0	0	0	111.9	G78 D82 S83	G78-N80 VanDerWaalsContact C-N 3.3Å; G78-N80 PolarHBondContact O-N 3.48Å; N80-D82 PolarHBondContact O-N 3.47Å; N80-D82 VanDerWaalsContact O-N 3.09Å; N80-D82 PolarHBondContact OD1-N 3.46Å; N80-S83 PolarHBondContact N-OG 2.75Å; N80-S83 PolarHBondContact ND2-OG 3.45Å; N80-S83 VanDerWaalsContact O-CB 3.25Å; N80-S83 WeakPolarHBondContact O-CB 3.5Å; N80-S83 PolarHBondContact O-N 3Å; N80-S83 PolarHBondContact O-OG 2.79Å; N80-S83 PolarHBondContact OD1-N 2.6Å; N80-S83 PolarHBondContact OD1-OG 3.31Å
81	K	89.2	Confident	96.1	Very high	214 Å²	214	58 Å²	58	93%	0.93	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.1	-175.7	-70.5	-175.7	179.3	177.6	0	114.1
82	D	90.2	Very high	96.1	Very high	154 Å²	154	54.9 Å²	54.9	82%	0.824	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	2.4	-178.7	-56.2	-44.5	0	0	0	112.6	N80	N80-D82 PolarHBondContact O-N 3.47Å; N80-D82 VanDerWaalsContact O-N 3.09Å; N80-D82 PolarHBondContact OD1-N 3.46Å
83	S	92	Very high	96.2	Very high	25 Å²	25	51.7 Å²	51.7	18%	0.175	27%	0.267	C	S	.	.			trans	-76	144.3	-178.9	-67	0	0	0	0	111.7	H76 G78 G79 N80 G85	H76-S83 CarbonylContact O-C 3.44Å; H76-S83 VanDerWaalsContact O-CA 3.27Å; H76-S83 WeakPolarHBondContact O-CA 3.28Å; H76-S83 WeakPolarHBondContact O-CB 3.42Å; G78-S83 PolarHBondContact N-OG 2.85Å; G79-S83 PolarHBondContact N-OG 3.31Å; G79-S83 VanDerWaalsContact N-OG 3.14Å; N80-S83 PolarHBondContact N-OG 2.75Å; N80-S83 PolarHBondContact ND2-OG 3.45Å; N80-S83 VanDerWaalsContact O-CB 3.25Å; N80-S83 WeakPolarHBondContact O-CB 3.5Å; N80-S83 PolarHBondContact O-N 3Å; N80-S83 PolarHBondContact O-OG 2.79Å; N80-S83 PolarHBondContact OD1-N 2.6Å; N80-S83 PolarHBondContact OD1-OG 3.31Å; S83-G85 WeakPolarHBondContact CB-O 3.08Å; S83-G85 PolarHBondContact O-N 3.29Å
84	K	93	Very high	96.2	Very high	160 Å²	160	48.2 Å²	48.2	70%	0.696	25%	0.25	S	S	*	.	S	Bend	trans	-76.9	-9.2	177.5	-64.4	179.1	-179.1	176.1	0	113.2	H76 F77	H76-K84 PolarHBondContact O-N 2.95Å; F77-K84 HydrophobicContact CD1-CB 4.06Å; F77-K84 HydrophobicContact CE1-CB 3.64Å; F77-K84 HydrophobicContact CZ-CB 3.94Å; F77-K84 HydrophobicContact CZ-CD 4.29Å
85	G	96	Very high	96.2	Very high	26 Å²	26	48.2 Å²	48.2	27%	0.268	25%	0.25	S	S	.	.			trans	169.9	-165.8	-176.5	0	0	0	0	0	110.3	F77 G79 S83	F77-G85 CarbonylContact C-O 3.56Å; F77-G85 VanDerWaalsContact CA-O 3.31Å; F77-G85 WeakPolarHBondContact CA-O 3.35Å; G79-G85 PolarHBondContact N-O 2.94Å; G79-G85 VanDerWaalsContact N-O 3.14Å; S83-G85 WeakPolarHBondContact CB-O 3.08Å; S83-G85 PolarHBondContact O-N 3.29Å
86	L	98.1	Very high	96.2	Very high	14 Å²	14	47.9 Å²	47.9	7%	0.073	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-135.1	91.3	-176.9	175.1	50.8	0	0	0	109.7	F77 V97 G98 A101 Y104 A114	F77-L86 CarbonylContact O-C 3.3Å; F77-L86 WeakPolarHBondContact O-CA 3.19Å; L86-V97 HydrophobicContact CD1-CG2 4.3Å; L86-V97 HydrophobicContact CG-CG2 4Å; L86-V97 CarbonylContact O-C 3.57Å; L86-V97 VanDerWaalsContact O-CG2 3.32Å; L86-V97 WeakPolarHBondContact O-CG2 3.21Å; L86-V97 PolarHBondContact O-N 3.32Å; L86-G98 PolarHBondContact O-N 3.03Å; L86-A101 HydrophobicContact CD2-CB 3.87Å; L86-Y104 WeakPolarHBondContact CD1-O 3.42Å; L86-A114 HydrophobicContact CD1-CB 3.55Å
87	Y	98.7	Very high	96.3	Very high	39 Å²	39	43.8 Å²	43.8	15%	0.153	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	155.6	-176	-59.9	-12.2	0	0	0	110.5	F69 F77 V94 Y95 D96 A114 G115 V161	F69-Y87 HydrophobicContact CE1-CD2 4.19Å; F69-Y87 HydrophobicContact CE1-CE2 4.21Å; F69-Y87 HydrophobicContact CZ-CD2 4.12Å; F69-Y87 AromaticContact CZ-CE2 3.96Å; F69-Y87 HydrophobicContact CZ-CE2 3.96Å; F77-Y87 HydrophobicContact CB-CD2 3.78Å; F77-Y87 HydrophobicContact CB-CG 3.77Å; F77-Y87 HydrophobicContact CD1-CD1 4.28Å; F77-Y87 AromaticContact CD1-CD2 3.33Å; F77-Y87 HydrophobicContact CD1-CD2 3.33Å; F77-Y87 HydrophobicContact CD1-CE1 4.22Å; F77-Y87 AromaticContact CD1-CE2 3.26Å; F77-Y87 HydrophobicContact CD1-CE2 3.26Å; F77-Y87 AromaticContact CD1-CG 3.87Å; F77-Y87 HydrophobicContact CD1-CG 3.87Å; F77-Y87 AromaticContact CD1-CZ 3.75Å; F77-Y87 HydrophobicContact CD2-CD2 4.08Å; F77-Y87 HydrophobicContact CD2-CE2 4.46Å; F77-Y87 AromaticContact CE1-CD2 3.87Å; F77-Y87 HydrophobicContact CE1-CD2 3.87Å; F77-Y87 AromaticContact CE1-CE2 3.35Å; F77-Y87 HydrophobicContact CE1-CE2 3.35Å; F77-Y87 AromaticContact CE1-CZ 3.85Å; F77-Y87 AromaticContact CG-CD2 3.45Å; F77-Y87 HydrophobicContact CG-CD2 3.45Å; F77-Y87 VanDerWaalsContact CG-CD2 3.45Å; F77-Y87 AromaticContact CG-CE2 3.87Å; F77-Y87 HydrophobicContact CG-CE2 3.87Å; F77-Y87 AromaticContact CG-CG 3.95Å; F77-Y87 HydrophobicContact CG-CG 3.95Å; F77-Y87 HydrophobicContact CZ-CD2 4.46Å; F77-Y87 HydrophobicContact CZ-CE2 4.03Å; F77-Y87 PolarHBondContact O-N 3.35Å; Y87-V94 HydrophobicContact CD2-CG1 3.97Å; Y87-V94 HydrophobicContact CG-CG1 4.2Å; Y87-Y95 VanDerWaalsContact CA-O 3.25Å; Y87-Y95 WeakPolarHBondContact CA-O 3.3Å; Y87-D96 HydrophobicContact CD1-CB 3.95Å; Y87-D96 HydrophobicContact CE1-CB 3.69Å; Y87-D96 VanDerWaalsContact CE1-CG 3.45Å; Y87-A114 CarbonylContact O-C 3.54Å; Y87-A114 WeakPolarHBondContact O-CA 3.45Å; Y87-G115 PolarHBondContact O-N 3.32Å; Y87-V161 HydrophobicContact CD2-CG2 4.1Å; Y87-V161 HydrophobicContact CE2-CG2 3.94Å; Y87-V161 HydrophobicContact CG-CG2 4.47Å
88	L	98.4	Very high	96.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	163.2	164.9	63.7	77.3	0	0	0	109.4	V94 Y95 V97 Y104 F113 F122 Y154	L88-V94 WeakPolarHBondContact O-CA 3.36Å; L88-Y95 PolarHBondContact N-O 3.16Å; L88-Y95 PolarHBondContact O-N 3.29Å; L88-V97 HydrophobicContact CD1-CG1 4.49Å; L88-V97 HydrophobicContact CD2-CB 4.48Å; L88-V97 HydrophobicContact CD2-CG1 3.88Å; L88-V97 HydrophobicContact CD2-CG2 3.98Å; L88-V97 HydrophobicContact CG-CG1 3.8Å; L88-V97 HydrophobicContact CG-CG2 4.04Å; L88-Y104 HydrophobicContact CD2-CD1 3.73Å; L88-Y104 HydrophobicContact CD2-CE1 3.59Å; L88-Y104 HydrophobicContact CD2-CG 4.29Å; L88-F113 VanDerWaalsContact CB-O 3.24Å; L88-F113 WeakPolarHBondContact CB-O 3.22Å; L88-F113 HydrophobicContact CD2-CB 4.14Å; L88-F122 HydrophobicContact CD1-CZ 4.44Å; L88-Y154 HydrophobicContact CD1-CD1 4.19Å; L88-Y154 HydrophobicContact CD1-CE1 3.81Å; L88-Y154 HydrophobicContact CD2-CE1 3.91Å; L88-Y154 HydrophobicContact CG-CE1 4.28Å
89	A	98.7	Very high	96.2	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.5	174.5	0	0	0	0	0	112.5	L74 R93 V94 R116 D117 V164	L74-A89 HydrophobicContact CD2-CB 3.82Å; A89-R93 WeakPolarHBondContact CA-O 3.41Å; A89-V94 HydrophobicContact CB-CG2 4.29Å; A89-R116 PolarHBondContact N-O 3.27Å; A89-D117 HydrophobicContact CB-CB 3.66Å; A89-V164 HydrophobicContact CB-CG2 3.56Å
90	L	98.6	Very high	96.4	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	122.3	174.5	177.4	62.2	0	0	0	108.7	G92 R93 Y95 F122 I147 W150 V151 Y154	L90-G92 PolarHBondContact O-N 3.43Å; L90-R93 PolarHBondContact N-O 3.05Å; L90-R93 VanDerWaalsContact O-CB 3.28Å; L90-R93 WeakPolarHBondContact O-CB 3.41Å; L90-R93 PolarHBondContact O-N 3.34Å; L90-Y95 HydrophobicContact CB-CE2 4.39Å; L90-F122 HydrophobicContact CD1-CD2 3.88Å; L90-F122 HydrophobicContact CD1-CE2 4.23Å; L90-F122 HydrophobicContact CD1-CG 4.27Å; L90-I147 HydrophobicContact CD1-CD1 4.2Å; L90-I147 HydrophobicContact CD1-CG1 4.05Å; L90-W150 HydrophobicContact CD2-CB 3.85Å; L90-V151 HydrophobicContact CD2-CB 4.44Å; L90-V151 HydrophobicContact CD2-CG2 3.79Å; L90-V151 HydrophobicContact CG-CG2 3.91Å; L90-Y154 HydrophobicContact CD2-CD2 3.87Å; L90-Y154 HydrophobicContact CD2-CE2 4.44Å
91	L	98.1	Very high	96.6	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.052	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	38	-168.9	-53.6	-166.8	0	0	0	113	R93 S119 L136 I147 V151 Y168 Y169 L182 L186	L91-R93 PolarHBondContact O-N 3.23Å; L91-S119 PolarHBondContact N-OG 2.95Å; L91-L136 HydrophobicContact CD2-CD1 3.33Å; L91-I147 HydrophobicContact CD2-CD1 3.6Å; L91-I147 HydrophobicContact CD2-CG1 4.17Å; L91-I147 HydrophobicContact CG-CD1 4.44Å; L91-V151 HydrophobicContact CD1-CG2 3.61Å; L91-V151 HydrophobicContact CG-CG2 3.85Å; L91-Y168 HydrophobicContact CD2-CE2 4.45Å; L91-Y169 WeakPolarHBondContact O-CE2 3.43Å; L91-L182 HydrophobicContact CD1-CD2 4.09Å; L91-L182 HydrophobicContact CD2-CD2 3.86Å; L91-L186 HydrophobicContact CD1-CD1 4.04Å
92	G	98.4	Very high	96.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.01	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	-1.7	-175.7	0	0	0	0	0	114.2	L90 D117 V163 V164	L90-G92 PolarHBondContact O-N 3.43Å; G92-D117 WeakPolarHBondContact CA-OD2 3.44Å; G92-D117 PolarHBondContact N-OD2 3.35Å; G92-V163 CarbonylContact O-C 3.26Å; G92-V163 WeakPolarHBondContact O-CA 3.47Å; G92-V163 WeakPolarHBondContact O-CB 3.45Å; G92-V164 PolarHBondContact O-N 3.44Å
93	R	98.5	Very high	97.3	Very high	81 Å²	81	43.7 Å²	43.7	31%	0.306	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.6	177.9	-59.1	174.1	72.2	159.5	2.5	109.4	A89 L90 L91 Y95 L160 Y169	A89-R93 WeakPolarHBondContact CA-O 3.41Å; L90-R93 PolarHBondContact N-O 3.05Å; L90-R93 VanDerWaalsContact O-CB 3.28Å; L90-R93 WeakPolarHBondContact O-CB 3.41Å; L90-R93 PolarHBondContact O-N 3.34Å; L91-R93 PolarHBondContact O-N 3.23Å; R93-Y95 HydrophobicContact CB-CE2 3.7Å; R93-Y95 PolarHBondContact NE-OH 3.07Å; R93-Y95 WeakPolarHBondContact O-CD2 3.44Å; R93-L160 HydrophobicContact CB-CD1 3.78Å; R93-Y169 HydrophobicContact CG-CE2 4.31Å; R93-Y169 WeakPolarHBondContact CG-OH 3.41Å
94	V	98.6	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.9	-175.4	-174.9	0	0	0	0	110.3	F69 L74 Y87 L88 A89 V161 G162 V164	F69-V94 HydrophobicContact CD2-CB 4.4Å; F69-V94 HydrophobicContact CD2-CG1 4.48Å; F69-V94 HydrophobicContact CD2-CG2 3.92Å; F69-V94 HydrophobicContact CE2-CB 4.3Å; F69-V94 HydrophobicContact CE2-CG1 4.18Å; F69-V94 HydrophobicContact CE2-CG2 4.32Å; F69-V94 HydrophobicContact CG-CG2 4.49Å; F69-V94 HydrophobicContact CZ-CG1 4.42Å; L74-V94 HydrophobicContact CD1-CG1 3.71Å; L74-V94 HydrophobicContact CD1-CG2 4.29Å; Y87-V94 HydrophobicContact CD2-CG1 3.97Å; Y87-V94 HydrophobicContact CG-CG1 4.2Å; L88-V94 WeakPolarHBondContact O-CA 3.36Å; A89-V94 HydrophobicContact CB-CG2 4.29Å; V94-V161 HydrophobicContact CB-CG2 4.16Å; V94-V161 HydrophobicContact CG1-CG2 3.71Å; V94-V161 WeakPolarHBondContact O-CG2 3.46Å; V94-V161 PolarHBondContact O-N 3.38Å; V94-G162 PolarHBondContact N-O 2.91Å; V94-G162 PolarHBondContact O-N 3.43Å; V94-V164 HydrophobicContact CG2-CG2 3.47Å; V94-V164 VanDerWaalsContact CG2-CG2 3.47Å
95	Y	98.5	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.4	-179.8	-64.5	-84.6	0	0	0	111.6	Y87 L88 L90 R93 V97 Y154 K159 L160	Y87-Y95 VanDerWaalsContact CA-O 3.25Å; Y87-Y95 WeakPolarHBondContact CA-O 3.3Å; L88-Y95 PolarHBondContact N-O 3.16Å; L88-Y95 PolarHBondContact O-N 3.29Å; L90-Y95 HydrophobicContact CB-CE2 4.39Å; R93-Y95 HydrophobicContact CB-CE2 3.7Å; R93-Y95 PolarHBondContact NE-OH 3.07Å; R93-Y95 WeakPolarHBondContact O-CD2 3.44Å; Y95-V97 PolarHBondContact O-N 3.23Å; Y95-Y154 HydrophobicContact CD2-CD1 4.34Å; Y95-Y154 HydrophobicContact CD2-CG 4.44Å; Y95-Y154 WeakPolarHBondContact CE1-O 3.28Å; Y95-Y154 HydrophobicContact CG-CD1 4.28Å; Y95-K159 WeakPolarHBondContact CA-O 3.41Å; Y95-L160 HydrophobicContact CD1-CB 4.48Å; Y95-L160 HydrophobicContact CD1-CD1 4.35Å; Y95-L160 HydrophobicContact CE1-CB 4.29Å; Y95-L160 HydrophobicContact CE1-CD1 3.97Å
96	D	98	Very high	97.6	Very high	54 Å²	54	38.1 Å²	38.1	29%	0.289	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	105.4	166.9	-172.5	-19.8	0	0	0	110	Y87 G98 Y158 K159 V161	Y87-D96 HydrophobicContact CD1-CB 3.95Å; Y87-D96 HydrophobicContact CE1-CB 3.69Å; Y87-D96 VanDerWaalsContact CE1-CG 3.45Å; D96-G98 PolarHBondContact OD1-N 3.5Å; D96-Y158 WeakPolarHBondContact O-CD1 3.38Å; D96-K159 HydrophobicContact CB-CB 4.43Å; D96-K159 PolarHBondContact N-O 3.44Å; D96-V161 HydrophobicContact CB-CG1 3.92Å
97	V	98.1	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.23	C	C	.	.			trans	-101.8	20.7	-179.2	-62.2	0	0	0	0	112.5	L86 L88 Y95 K99 G100 A101 Y104 Y154 Y158	L86-V97 HydrophobicContact CD1-CG2 4.3Å; L86-V97 HydrophobicContact CG-CG2 4Å; L86-V97 CarbonylContact O-C 3.57Å; L86-V97 VanDerWaalsContact O-CG2 3.32Å; L86-V97 WeakPolarHBondContact O-CG2 3.21Å; L86-V97 PolarHBondContact O-N 3.32Å; L88-V97 HydrophobicContact CD1-CG1 4.49Å; L88-V97 HydrophobicContact CD2-CB 4.48Å; L88-V97 HydrophobicContact CD2-CG1 3.88Å; L88-V97 HydrophobicContact CD2-CG2 3.98Å; L88-V97 HydrophobicContact CG-CG1 3.8Å; L88-V97 HydrophobicContact CG-CG2 4.04Å; Y95-V97 PolarHBondContact O-N 3.23Å; V97-K99 VanDerWaalsContact C-N 3.28Å; V97-K99 PolarHBondContact O-N 2.89Å; V97-G100 CarbonylContact O-C 3.59Å; V97-G100 VanDerWaalsContact O-CA 3.24Å; V97-G100 WeakPolarHBondContact O-CA 3.32Å; V97-G100 PolarHBondContact O-N 3.44Å; V97-A101 PolarHBondContact O-N 3.19Å; V97-Y104 HydrophobicContact CB-CD2 3.61Å; V97-Y104 HydrophobicContact CB-CE2 3.86Å; V97-Y104 HydrophobicContact CB-CG 4.33Å; V97-Y104 HydrophobicContact CG1-CD2 4.36Å; V97-Y104 HydrophobicContact CG1-CE2 4.19Å; V97-Y104 HydrophobicContact CG2-CD2 3.66Å; V97-Y104 HydrophobicContact CG2-CE2 4.29Å; V97-Y104 HydrophobicContact CG2-CG 3.88Å; V97-Y154 HydrophobicContact CG1-CD1 4.28Å; V97-Y154 HydrophobicContact CG1-CE1 3.89Å; V97-Y158 HydrophobicContact CB-CD1 4.06Å; V97-Y158 HydrophobicContact CB-CE1 4.01Å; V97-Y158 HydrophobicContact CG1-CD1 3.74Å; V97-Y158 HydrophobicContact CG1-CD2 4.17Å; V97-Y158 HydrophobicContact CG1-CE1 3.95Å; V97-Y158 HydrophobicContact CG1-CE2 4.37Å; V97-Y158 HydrophobicContact CG1-CG 3.83Å
98	G	97.2	Very high	97.3	Very high	33 Å²	33	44 Å²	44	34%	0.34	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-56.2	-37.1	175.5	0	0	0	0	0	113.6	L86 D96 G100 A101	L86-G98 PolarHBondContact O-N 3.03Å; D96-G98 PolarHBondContact OD1-N 3.5Å; G98-G100 PolarHBondContact O-N 2.83Å; G98-A101 WeakPolarHBondContact O-CB 3.26Å; G98-A101 PolarHBondContact O-N 3.26Å; G98-A101 VanDerWaalsContact O-N 3.08Å
99	K	96.7	Very high	97.2	Very high	171 Å²	171	48.9 Å²	48.9	74%	0.743	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-60	-25.5	172	-174.9	-175.2	172.8	-163.5	0	112.4	V97	V97-K99 VanDerWaalsContact C-N 3.28Å; V97-K99 PolarHBondContact O-N 2.89Å
100	G	96.6	Very high	97.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.01	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-97	20.1	177	0	0	0	0	0	114.3	V97 G98 R102 H103 Y104	V97-G100 CarbonylContact O-C 3.59Å; V97-G100 VanDerWaalsContact O-CA 3.24Å; V97-G100 WeakPolarHBondContact O-CA 3.32Å; V97-G100 PolarHBondContact O-N 3.44Å; G98-G100 PolarHBondContact O-N 2.83Å; G100-R102 PolarHBondContact O-N 3.29Å; G100-H103 WeakPolarHBondContact O-CB 3.34Å; G100-H103 PolarHBondContact O-N 3.47Å; G100-Y104 WeakPolarHBondContact O-CD2 3.46Å; G100-Y104 PolarHBondContact O-N 2.93Å
101	A	96.1	Very high	97.1	Very high	49 Å²	49	58.1 Å²	58.1	41%	0.405	30%	0.295	S	S	.	.	H	α-helix	trans	-54.2	-28.3	-174.6	0	0	0	0	0	115.1	L86 V97 G98 H103 G105	L86-A101 HydrophobicContact CD2-CB 3.87Å; V97-A101 PolarHBondContact O-N 3.19Å; G98-A101 WeakPolarHBondContact O-CB 3.26Å; G98-A101 PolarHBondContact O-N 3.26Å; G98-A101 VanDerWaalsContact O-N 3.08Å; A101-H103 PolarHBondContact O-N 2.64Å; A101-G105 VanDerWaalsContact O-CA 3.23Å; A101-G105 WeakPolarHBondContact O-CA 3.28Å; A101-G105 PolarHBondContact O-N 3.36Å
102	R	97	Very high	97	Very high	196 Å²	196	59.3 Å²	59.3	74%	0.74	30%	0.302	S	S	*	.	H	α-helix	trans	-61.8	-22.2	173.1	69.9	-178.7	-179.5	-113.1	-6.6	114.1	G100	G100-R102 PolarHBondContact O-N 3.29Å
103	H	97.6	Very high	97	Very high	55 Å²	55	59.6 Å²	59.6	26%	0.255	30%	0.303	S	S	.	.	H	α-helix	trans	-101.5	-45.1	-178.7	-62.7	-59.6	0	0	0	111.7	G100 A101 G108 T109 Y110 H111	G100-H103 WeakPolarHBondContact O-CB 3.34Å; G100-H103 PolarHBondContact O-N 3.47Å; A101-H103 PolarHBondContact O-N 2.64Å; H103-G108 CarbonylContact O-C 3.58Å; H103-G108 VanDerWaalsContact O-C 3.3Å; H103-G108 VanDerWaalsContact O-CA 3.3Å; H103-G108 WeakPolarHBondContact O-CA 3.49Å; H103-T109 PolarHBondContact O-N 3.48Å; H103-Y110 HydrophobicContact CB-CD2 4.11Å; H103-Y110 CarbonylContact O-C 3.56Å; H103-Y110 WeakPolarHBondContact O-CA 3.37Å; H103-Y110 WeakPolarHBondContact O-CB 3.41Å; H103-Y110 PolarHBondContact O-N 3.1Å; H103-H111 PolarHBondContact O-N 2.87Å
104	Y	97.9	Very high	97	Very high	16 Å²	16	56.3 Å²	56.3	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-105.2	-10.1	-172.7	-47.8	-74.1	0	0	0	114.4	L86 L88 V97 G100 H111 F113 Y154	L86-Y104 WeakPolarHBondContact CD1-O 3.42Å; L88-Y104 HydrophobicContact CD2-CD1 3.73Å; L88-Y104 HydrophobicContact CD2-CE1 3.59Å; L88-Y104 HydrophobicContact CD2-CG 4.29Å; V97-Y104 HydrophobicContact CB-CD2 3.61Å; V97-Y104 HydrophobicContact CB-CE2 3.86Å; V97-Y104 HydrophobicContact CB-CG 4.33Å; V97-Y104 HydrophobicContact CG1-CD2 4.36Å; V97-Y104 HydrophobicContact CG1-CE2 4.19Å; V97-Y104 HydrophobicContact CG2-CD2 3.66Å; V97-Y104 HydrophobicContact CG2-CE2 4.29Å; V97-Y104 HydrophobicContact CG2-CG 3.88Å; G100-Y104 WeakPolarHBondContact O-CD2 3.46Å; G100-Y104 PolarHBondContact O-N 2.93Å; Y104-H111 WeakPolarHBondContact O-CA 3.36Å; Y104-F113 HydrophobicContact CD1-CB 4.5Å; Y104-Y154 PolarHBondContact OH-OH 3.37Å
105	G	96.1	Very high	97	Very high	7 Å²	7	56.5 Å²	56.5	7%	0.072	30%	0.295	C	S	.	.	S	Bend	trans	-68.2	171.1	174	0	0	0	0	0	111.5	A101 D107 G108 H111	A101-G105 VanDerWaalsContact O-CA 3.23Å; A101-G105 WeakPolarHBondContact O-CA 3.28Å; A101-G105 PolarHBondContact O-N 3.36Å; G105-D107 PolarHBondContact O-N 2.81Å; G105-G108 WeakPolarHBondContact O-CA 3.49Å; G105-G108 PolarHBondContact O-N 2.96Å; G105-H111 VanDerWaalsContact O-CB 3.23Å; G105-H111 WeakPolarHBondContact O-CB 3.26Å
106	P	94	Very high	97	Very high	71 Å²	71	61 Å²	61	46%	0.461	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.9	-170.5	-28.9	36.3	0	0	0	115.5	G79	G79-P106 WeakPolarHBondContact O-CD 3.48Å; G79-P106 WeakPolarHBondContact O-CG 3.34Å
107	D	94.6	Very high	97	Very high	171 Å²	171	59.2 Å²	59.2	91%	0.914	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	3.1	179.5	-54.5	-51.3	0	0	0	113.1	G105	G105-D107 PolarHBondContact O-N 2.81Å
108	G	96.3	Very high	97	Very high	5 Å²	5	59.3 Å²	59.3	5%	0.052	30%	0.303	C	S	.	.	S	Bend	trans	-85	149.8	-178.8	0	0	0	0	0	112.9	H103 G105 Y110 H111	H103-G108 CarbonylContact O-C 3.58Å; H103-G108 VanDerWaalsContact O-C 3.3Å; H103-G108 VanDerWaalsContact O-CA 3.3Å; H103-G108 WeakPolarHBondContact O-CA 3.49Å; G105-G108 WeakPolarHBondContact O-CA 3.49Å; G105-G108 PolarHBondContact O-N 2.96Å; G108-Y110 PolarHBondContact O-N 3.25Å; G108-H111 WeakPolarHBondContact O-CB 3.45Å; G108-H111 PolarHBondContact O-N 2.83Å; G108-H111 PolarHBondContact O-ND1 3.28Å
109	T	95.9	Very high	97.1	Very high	105 Å²	105	57.7 Å²	57.7	64%	0.644	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.4	-179.2	54	0	0	0	0	113.8	H103	H103-T109 PolarHBondContact O-N 3.48Å
110	Y	97.3	Very high	97.2	Very high	105 Å²	105	52.6 Å²	52.6	41%	0.412	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	21	-178.2	-57.9	-71.3	0	0	0	112	H103 G108 V112 F113 F127	H103-Y110 HydrophobicContact CB-CD2 4.11Å; H103-Y110 CarbonylContact O-C 3.56Å; H103-Y110 WeakPolarHBondContact O-CA 3.37Å; H103-Y110 WeakPolarHBondContact O-CB 3.41Å; H103-Y110 PolarHBondContact O-N 3.1Å; G108-Y110 PolarHBondContact O-N 3.25Å; Y110-V112 PolarHBondContact O-N 3.28Å; Y110-V112 VanDerWaalsContact O-N 3.17Å; Y110-F113 HydrophobicContact CD1-CD2 4.32Å; Y110-F113 AromaticContact CD1-CE2 3.95Å; Y110-F113 HydrophobicContact CD1-CE2 3.95Å; Y110-F113 WeakPolarHBondContact O-CD2 3.42Å; Y110-F113 PolarHBondContact O-N 3.2Å; Y110-F127 HydrophobicContact CD1-CE2 4.23Å; Y110-F127 HydrophobicContact CD1-CZ 4.18Å; Y110-F127 HydrophobicContact CE1-CE2 4.23Å; Y110-F127 HydrophobicContact CE1-CZ 4.08Å
111	H	97.1	Very high	97.2	Very high	90 Å²	90	52.6 Å²	52.6	42%	0.417	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-58.1	-28	179.2	70.6	-89.9	0	0	0	113.5	H103 Y104 G105 G108 F113 A114	H103-H111 PolarHBondContact O-N 2.87Å; Y104-H111 WeakPolarHBondContact O-CA 3.36Å; G105-H111 VanDerWaalsContact O-CB 3.23Å; G105-H111 WeakPolarHBondContact O-CB 3.26Å; G108-H111 WeakPolarHBondContact O-CB 3.45Å; G108-H111 PolarHBondContact O-N 2.83Å; G108-H111 PolarHBondContact O-ND1 3.28Å; H111-F113 PolarHBondContact O-N 3.32Å; H111-F113 VanDerWaalsContact O-N 3.14Å; H111-A114 WeakPolarHBondContact O-CB 3.31Å; H111-A114 PolarHBondContact O-N 2.96Å
112	V	97.3	Very high	97.3	Very high	35 Å²	35	51.5 Å²	51.5	21%	0.212	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-60.2	-22.1	179.4	-62.5	0	0	0	0	113.9	Y110 R116 F127 L132	Y110-V112 PolarHBondContact O-N 3.28Å; Y110-V112 VanDerWaalsContact O-N 3.17Å; V112-R116 WeakPolarHBondContact O-CD 3.46Å; V112-F127 HydrophobicContact CG2-CB 4.41Å; V112-F127 HydrophobicContact CG2-CD2 4.47Å; V112-F127 HydrophobicContact CG2-CG 4.34Å; V112-L132 HydrophobicContact CB-CD1 4.07Å; V112-L132 HydrophobicContact CB-CD2 4.26Å; V112-L132 HydrophobicContact CG2-CD2 4.08Å
113	F	98.3	Very high	97.4	Very high	7 Å²	7	43.6 Å²	43.6	3%	0.031	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-80.2	-19.5	177.2	-69.2	-84.7	0	0	0	113.2	L88 Y104 Y110 H111 A118 A121 F122 F127	L88-F113 VanDerWaalsContact CB-O 3.24Å; L88-F113 WeakPolarHBondContact CB-O 3.22Å; L88-F113 HydrophobicContact CD2-CB 4.14Å; Y104-F113 HydrophobicContact CD1-CB 4.5Å; Y110-F113 HydrophobicContact CD1-CD2 4.32Å; Y110-F113 AromaticContact CD1-CE2 3.95Å; Y110-F113 HydrophobicContact CD1-CE2 3.95Å; Y110-F113 WeakPolarHBondContact O-CD2 3.42Å; Y110-F113 PolarHBondContact O-N 3.2Å; H111-F113 PolarHBondContact O-N 3.32Å; H111-F113 VanDerWaalsContact O-N 3.14Å; F113-A118 HydrophobicContact CD1-CB 3.79Å; F113-A118 HydrophobicContact CE1-CB 4.07Å; F113-A121 HydrophobicContact CE1-CB 3.69Å; F113-A121 HydrophobicContact CZ-CB 3.84Å; F113-F122 HydrophobicContact CD1-CD2 4.01Å; F113-F122 AromaticContact CD1-CE2 3.37Å; F113-F122 HydrophobicContact CD1-CE2 3.37Å; F113-F122 AromaticContact CD1-CZ 3.69Å; F113-F122 HydrophobicContact CD1-CZ 3.69Å; F113-F122 AromaticContact CE1-CD2 3.63Å; F113-F122 HydrophobicContact CE1-CD2 3.63Å; F113-F122 HydrophobicContact CE1-CE1 4.44Å; F113-F122 AromaticContact CE1-CE2 3.49Å; F113-F122 HydrophobicContact CE1-CE2 3.49Å; F113-F122 VanDerWaalsContact CE1-CE2 3.49Å; F113-F122 HydrophobicContact CE1-CG 4.21Å; F113-F122 AromaticContact CE1-CZ 3.92Å; F113-F122 HydrophobicContact CE1-CZ 3.92Å; F113-F122 HydrophobicContact CG-CE2 4.39Å; F113-F122 HydrophobicContact CG-CZ 4.33Å; F113-F127 HydrophobicContact CE2-CD1 4.16Å; F113-F127 AromaticContact CE2-CE1 3.69Å; F113-F127 HydrophobicContact CE2-CE1 3.69Å; F113-F127 HydrophobicContact CE2-CE2 4.38Å; F113-F127 AromaticContact CE2-CZ 3.81Å; F113-F127 HydrophobicContact CE2-CZ 3.81Å; F113-F127 AromaticContact CZ-CD1 3.95Å; F113-F127 HydrophobicContact CZ-CD1 3.95Å; F113-F127 AromaticContact CZ-CE1 3.46Å; F113-F127 HydrophobicContact CZ-CE1 3.46Å; F113-F127 VanDerWaalsContact CZ-CE1 3.46Å; F113-F127 HydrophobicContact CZ-CZ 4.01Å
114	A	98.1	Very high	97.3	Very high	11 Å²	11	43.4 Å²	43.4	9%	0.091	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	140.2	-175	0	0	0	0	0	111.7	L86 Y87 H111 R116	L86-A114 HydrophobicContact CD1-CB 3.55Å; Y87-A114 CarbonylContact O-C 3.54Å; Y87-A114 WeakPolarHBondContact O-CA 3.45Å; H111-A114 WeakPolarHBondContact O-CB 3.31Å; H111-A114 PolarHBondContact O-N 2.96Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 3.46Å
115	G	98.2	Very high	97.2	Very high	5 Å²	5	45 Å²	45	5%	0.052	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	12.9	177.1	0	0	0	0	0	115.3	L74 S75 Y87	L74-G115 CarbonylContact C-O 3.22Å; L74-G115 VanDerWaalsContact C-O 3.31Å; L74-G115 VanDerWaalsContact O-CA 3.26Å; L74-G115 WeakPolarHBondContact O-CA 3.35Å; S75-G115 WeakPolarHBondContact CA-O 3.45Å; S75-G115 PolarHBondContact N-O 3.45Å; Y87-G115 PolarHBondContact O-N 3.32Å
116	R	98.4	Very high	97.3	Very high	93 Å²	93	47.9 Å²	47.9	35%	0.351	26%	0.261	S	S	.	.	S	Bend	trans	-147.7	171.2	178.4	63.4	179.3	69.3	-170	5.6	112.6	A89 V112 A114 A118 E129	A89-R116 PolarHBondContact N-O 3.27Å; V112-R116 WeakPolarHBondContact O-CD 3.46Å; A114-R116 VanDerWaalsContact C-N 3.29Å; A114-R116 PolarHBondContact O-N 3.46Å; R116-A118 HydrophobicContact CG-CB 4.35Å; R116-E129 IonicContact CZ-OE2 3.16Å; R116-E129 IonicContact NH1-OE1 3.41Å; R116-E129 IonicContact NH1-OE2 3.73Å; R116-E129 PolarHBondContact NH1-OE2 3.41Å
117	D	98.6	Very high	97.4	Very high	18 Å²	18	48.6 Å²	48.6	10%	0.096	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-98.6	108.5	164.6	-168.2	-32.4	0	0	0	108.7	A89 G92 S119 T133 D134	A89-D117 HydrophobicContact CB-CB 3.66Å; G92-D117 WeakPolarHBondContact CA-OD2 3.44Å; G92-D117 PolarHBondContact N-OD2 3.35Å; D117-S119 VanDerWaalsContact OD1-CB 3.31Å; D117-S119 WeakPolarHBondContact OD1-CB 3.35Å; D117-S119 PolarHBondContact OD1-N 3.04Å; D117-S119 PolarHBondContact OD1-OG 3.08Å; D117-T133 CarbonylContact O-C 3.53Å; D117-D134 HydrophobicContact CB-CB 4Å; D117-D134 PolarHBondContact O-N 2.85Å
118	A	98.2	Very high	97.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	23%	0.23	C	C	.	.			trans	-118.6	40.9	178	0	0	0	0	0	110.2	F113 R116 R120 A121 F122 L132 T133	F113-A118 HydrophobicContact CD1-CB 3.79Å; F113-A118 HydrophobicContact CE1-CB 4.07Å; R116-A118 HydrophobicContact CG-CB 4.35Å; A118-R120 PolarHBondContact O-N 2.95Å; A118-R120 VanDerWaalsContact O-N 3.09Å; A118-A121 HydrophobicContact CB-CB 4.43Å; A118-A121 PolarHBondContact O-N 3.06Å; A118-F122 WeakPolarHBondContact O-CD2 3.49Å; A118-L132 HydrophobicContact CB-CB 4.29Å; A118-L132 HydrophobicContact CB-CD2 3.79Å; A118-T133 CarbonylContact C-O 3.54Å
119	S	98.6	Very high	97.5	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-39	-177	-69.6	0	0	0	0	113.9	L91 D117 F122 T133	L91-S119 PolarHBondContact N-OG 2.95Å; D117-S119 VanDerWaalsContact OD1-CB 3.31Å; D117-S119 WeakPolarHBondContact OD1-CB 3.35Å; D117-S119 PolarHBondContact OD1-N 3.04Å; D117-S119 PolarHBondContact OD1-OG 3.08Å; S119-F122 PolarHBondContact O-N 2.8Å; S119-T133 PolarHBondContact N-O 3.37Å
120	R	98.3	Very high	97.5	Very high	64 Å²	64	50.8 Å²	50.8	24%	0.242	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-42.6	-178.9	-171.7	179.8	-171.6	80.6	6.9	112.5	A118 F122 V123 T124 T133 D135 L136 S137	A118-R120 PolarHBondContact O-N 2.95Å; A118-R120 VanDerWaalsContact O-N 3.09Å; R120-F122 PolarHBondContact O-N 3.43Å; R120-F122 VanDerWaalsContact O-N 3.15Å; R120-V123 VanDerWaalsContact O-CG2 3.27Å; R120-V123 WeakPolarHBondContact O-CG2 3.42Å; R120-V123 PolarHBondContact O-N 2.86Å; R120-V123 VanDerWaalsContact O-N 3.13Å; R120-T124 HydrophobicContact CG-CG2 3.82Å; R120-T124 PolarHBondContact O-N 3.43Å; R120-T124 VanDerWaalsContact O-N 3.09Å; R120-T124 PolarHBondContact O-OG1 2.92Å; R120-T133 HydrophobicContact CB-CG2 3.94Å; R120-T133 WeakPolarHBondContact CB-O 3.45Å; R120-T133 HydrophobicContact CG-CG2 4.46Å; R120-T133 PolarHBondContact N-O 2.9Å; R120-D135 WeakPolarHBondContact CD-O 3.25Å; R120-D135 PolarHBondContact NH1-O 2.97Å; R120-L136 HydrophobicContact CB-CD2 4.25Å; R120-S137 PolarHBondContact NH1-O 2.71Å
121	A	98.2	Very high	97.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-22	-177.6	0	0	0	0	0	113.7	F113 A118 V123 G125 D126 F127 G131 L132	F113-A121 HydrophobicContact CE1-CB 3.69Å; F113-A121 HydrophobicContact CZ-CB 3.84Å; A118-A121 HydrophobicContact CB-CB 4.43Å; A118-A121 PolarHBondContact O-N 3.06Å; A121-V123 VanDerWaalsContact C-N 3.25Å; A121-V123 PolarHBondContact O-N 3.37Å; A121-G125 WeakPolarHBondContact O-CA 3.49Å; A121-G125 PolarHBondContact O-N 2.69Å; A121-G125 VanDerWaalsContact O-N 3.08Å; A121-D126 VanDerWaalsContact CB-O 3.31Å; A121-D126 WeakPolarHBondContact CB-O 3.46Å; A121-F127 HydrophobicContact CB-CD1 4.1Å; A121-F127 HydrophobicContact CB-CE1 4.38Å; A121-G131 PolarHBondContact N-O 3.27Å; A121-L132 HydrophobicContact CB-CD2 4.07Å
122	F	97.9	Very high	97.5	Very high	25 Å²	25	42.2 Å²	42.2	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-27.8	175.7	-82	-86.5	0	0	0	113.9	L88 L90 F113 A118 S119 R120 W150 Y154	L88-F122 HydrophobicContact CD1-CZ 4.44Å; L90-F122 HydrophobicContact CD1-CD2 3.88Å; L90-F122 HydrophobicContact CD1-CE2 4.23Å; L90-F122 HydrophobicContact CD1-CG 4.27Å; F113-F122 HydrophobicContact CD1-CD2 4.01Å; F113-F122 AromaticContact CD1-CE2 3.37Å; F113-F122 HydrophobicContact CD1-CE2 3.37Å; F113-F122 AromaticContact CD1-CZ 3.69Å; F113-F122 HydrophobicContact CD1-CZ 3.69Å; F113-F122 AromaticContact CE1-CD2 3.63Å; F113-F122 HydrophobicContact CE1-CD2 3.63Å; F113-F122 HydrophobicContact CE1-CE1 4.44Å; F113-F122 AromaticContact CE1-CE2 3.49Å; F113-F122 HydrophobicContact CE1-CE2 3.49Å; F113-F122 VanDerWaalsContact CE1-CE2 3.49Å; F113-F122 HydrophobicContact CE1-CG 4.21Å; F113-F122 AromaticContact CE1-CZ 3.92Å; F113-F122 HydrophobicContact CE1-CZ 3.92Å; F113-F122 HydrophobicContact CG-CE2 4.39Å; F113-F122 HydrophobicContact CG-CZ 4.33Å; A118-F122 WeakPolarHBondContact O-CD2 3.49Å; S119-F122 PolarHBondContact O-N 2.8Å; R120-F122 PolarHBondContact O-N 3.43Å; R120-F122 VanDerWaalsContact O-N 3.15Å; F122-W150 HydrophobicContact CB-CG 4.36Å; F122-W150 AromaticContact CD1-CD2 3.92Å; F122-W150 HydrophobicContact CD1-CD2 3.92Å; F122-W150 HydrophobicContact CD1-CE3 4.36Å; F122-W150 AromaticContact CD1-CG 3.99Å; F122-W150 HydrophobicContact CD1-CG 3.99Å; F122-W150 PolarHBondContact O-NE1 3.27Å; F122-W150 VanDerWaalsContact O-NE1 3.11Å; F122-Y154 HydrophobicContact CD1-CE2 4.33Å; F122-Y154 AromaticContact CE1-CE2 3.48Å; F122-Y154 HydrophobicContact CE1-CE2 3.48Å; F122-Y154 VanDerWaalsContact CE1-CE2 3.48Å; F122-Y154 AromaticContact CE1-CZ 3.75Å; F122-Y154 VanDerWaalsContact CE1-OH 3.25Å; F122-Y154 WeakPolarHBondContact CE1-OH 3.43Å; F122-Y154 AromaticContact CZ-CE2 3.92Å; F122-Y154 HydrophobicContact CZ-CE2 3.92Å; F122-Y154 AromaticContact CZ-CZ 3.92Å; F122-Y154 WeakPolarHBondContact CZ-OH 3.3Å
123	V	97.7	Very high	97.5	Very high	30 Å²	30	42.7 Å²	42.7	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-109.9	-32.5	-177.4	-63.4	0	0	0	0	112.5	R120 A121 L139 E143 A146 I147	R120-V123 VanDerWaalsContact O-CG2 3.27Å; R120-V123 WeakPolarHBondContact O-CG2 3.42Å; R120-V123 PolarHBondContact O-N 2.86Å; R120-V123 VanDerWaalsContact O-N 3.13Å; A121-V123 VanDerWaalsContact C-N 3.25Å; A121-V123 PolarHBondContact O-N 3.37Å; V123-L139 HydrophobicContact CG2-CD1 3.78Å; V123-L139 HydrophobicContact CG2-CD2 4.14Å; V123-E143 HydrophobicContact CB-CB 4.32Å; V123-E143 WeakPolarHBondContact CG1-O 3.26Å; V123-E143 HydrophobicContact CG2-CB 4.34Å; V123-A146 HydrophobicContact CG1-CB 3.92Å; V123-I147 HydrophobicContact CG1-CB 3.73Å; V123-I147 HydrophobicContact CG1-CG1 4.45Å
124	T	96.7	Very high	97.5	Very high	51 Å²	51	44.2 Å²	44.2	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-84.2	-24	179.2	62.9	0	0	0	0	113.3	R120 D126 L139	R120-T124 HydrophobicContact CG-CG2 3.82Å; R120-T124 PolarHBondContact O-N 3.43Å; R120-T124 VanDerWaalsContact O-N 3.09Å; R120-T124 PolarHBondContact O-OG1 2.92Å; T124-D126 PolarHBondContact O-N 3.28Å; T124-D126 PolarHBondContact OG1-N 3.48Å; T124-L139 HydrophobicContact CG2-CD2 4.35Å
125	G	96.3	Very high	97.5	Very high	51 Å²	51	45.9 Å²	45.9	53%	0.526	25%	0.246	S	C	.	.			trans	68.2	9.9	-171.3	0	0	0	0	0	114.2	A121 F127	A121-G125 WeakPolarHBondContact O-CA 3.49Å; A121-G125 PolarHBondContact O-N 2.69Å; A121-G125 VanDerWaalsContact O-N 3.08Å; G125-F127 PolarHBondContact O-N 2.88Å
126	D	97.2	Very high	97.5	Very high	66 Å²	66	46.3 Å²	46.3	35%	0.353	25%	0.248	S	C	.	.			trans	-85	106.7	177.1	-177.9	5.7	0	0	0	110.3	A121 T124 S128 G131	A121-D126 VanDerWaalsContact CB-O 3.31Å; A121-D126 WeakPolarHBondContact CB-O 3.46Å; T124-D126 PolarHBondContact O-N 3.28Å; T124-D126 PolarHBondContact OG1-N 3.48Å; D126-S128 VanDerWaalsContact CG-OG 3.29Å; D126-S128 WeakPolarHBondContact OD1-CB 3.23Å; D126-S128 PolarHBondContact OD1-N 3.09Å; D126-S128 PolarHBondContact OD1-OG 3.18Å; D126-S128 PolarHBondContact OD2-OG 3.34Å; D126-G131 CarbonylContact O-C 3.58Å; D126-G131 WeakPolarHBondContact O-CA 3.28Å
127	F	96.6	Very high	97.4	Very high	86 Å²	86	45.2 Å²	45.2	38%	0.377	25%	0.254	S	S	.	.			trans	-97.9	12.2	179.4	-59.4	-10.4	0	0	0	112.8	Y110 V112 F113 A121 G125	Y110-F127 HydrophobicContact CD1-CE2 4.23Å; Y110-F127 HydrophobicContact CD1-CZ 4.18Å; Y110-F127 HydrophobicContact CE1-CE2 4.23Å; Y110-F127 HydrophobicContact CE1-CZ 4.08Å; V112-F127 HydrophobicContact CG2-CB 4.41Å; V112-F127 HydrophobicContact CG2-CD2 4.47Å; V112-F127 HydrophobicContact CG2-CG 4.34Å; F113-F127 HydrophobicContact CE2-CD1 4.16Å; F113-F127 AromaticContact CE2-CE1 3.69Å; F113-F127 HydrophobicContact CE2-CE1 3.69Å; F113-F127 HydrophobicContact CE2-CE2 4.38Å; F113-F127 AromaticContact CE2-CZ 3.81Å; F113-F127 HydrophobicContact CE2-CZ 3.81Å; F113-F127 AromaticContact CZ-CD1 3.95Å; F113-F127 HydrophobicContact CZ-CD1 3.95Å; F113-F127 AromaticContact CZ-CE1 3.46Å; F113-F127 HydrophobicContact CZ-CE1 3.46Å; F113-F127 VanDerWaalsContact CZ-CE1 3.46Å; F113-F127 HydrophobicContact CZ-CZ 4.01Å; A121-F127 HydrophobicContact CB-CD1 4.1Å; A121-F127 HydrophobicContact CB-CE1 4.38Å; G125-F127 PolarHBondContact O-N 2.88Å
128	S	96.9	Very high	97.2	Very high	52 Å²	52	48.2 Å²	48.2	36%	0.364	29%	0.289	S	S	.	.	S	Bend	trans	-69.8	162.4	166.1	74.5	0	0	0	0	110.6	D126 D130 G131 L132	D126-S128 VanDerWaalsContact CG-OG 3.29Å; D126-S128 WeakPolarHBondContact OD1-CB 3.23Å; D126-S128 PolarHBondContact OD1-N 3.09Å; D126-S128 PolarHBondContact OD1-OG 3.18Å; D126-S128 PolarHBondContact OD2-OG 3.34Å; S128-D130 PolarHBondContact O-N 2.96Å; S128-D130 VanDerWaalsContact O-N 3.14Å; S128-G131 PolarHBondContact O-N 3.16Å; S128-L132 WeakPolarHBondContact O-CG 3.14Å; S128-L132 PolarHBondContact O-N 3.13Å
129	E	95.8	Very high	97.2	Very high	133 Å²	133	49.2 Å²	49.2	62%	0.621	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.7	178.3	-66.9	-61.4	142.3	0	0	113	R116	R116-E129 IonicContact CZ-OE2 3.16Å; R116-E129 IonicContact NH1-OE1 3.41Å; R116-E129 IonicContact NH1-OE2 3.73Å; R116-E129 PolarHBondContact NH1-OE2 3.41Å
130	D	95.1	Very high	97.2	Very high	143 Å²	143	51.4 Å²	51.4	77%	0.765	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-33.3	174.9	-67.2	-24.3	0	0	0	112	S128	S128-D130 PolarHBondContact O-N 2.96Å; S128-D130 VanDerWaalsContact O-N 3.14Å
131	G	96.5	Very high	97.1	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-26.7	175.7	0	0	0	0	0	114	A121 D126 S128 T133	A121-G131 PolarHBondContact N-O 3.27Å; D126-G131 CarbonylContact O-C 3.58Å; D126-G131 WeakPolarHBondContact O-CA 3.28Å; S128-G131 PolarHBondContact O-N 3.16Å; G131-T133 PolarHBondContact O-N 2.93Å
132	L	98	Very high	97.1	Very high	14 Å²	14	56.1 Å²	56.1	7%	0.073	34%	0.336	C	S	.	.	S	Bend	trans	-78.3	53.9	179.8	-64.7	176.3	0	0	0	112.9	V112 A118 A121 S128	V112-L132 HydrophobicContact CB-CD1 4.07Å; V112-L132 HydrophobicContact CB-CD2 4.26Å; V112-L132 HydrophobicContact CG2-CD2 4.08Å; A118-L132 HydrophobicContact CB-CB 4.29Å; A118-L132 HydrophobicContact CB-CD2 3.79Å; A121-L132 HydrophobicContact CB-CD2 4.07Å; S128-L132 WeakPolarHBondContact O-CG 3.14Å; S128-L132 PolarHBondContact O-N 3.13Å
133	T	98	Very high	97.2	Very high	45 Å²	45	57.7 Å²	57.7	28%	0.276	34%	0.344	S	S	.	.	S	Bend	trans	-124.7	159.1	-178.2	-172.3	0	0	0	0	112.5	D117 A118 S119 R120 G131 D135	D117-T133 CarbonylContact O-C 3.53Å; A118-T133 CarbonylContact C-O 3.54Å; S119-T133 PolarHBondContact N-O 3.37Å; R120-T133 HydrophobicContact CB-CG2 3.94Å; R120-T133 WeakPolarHBondContact CB-O 3.45Å; R120-T133 HydrophobicContact CG-CG2 4.46Å; R120-T133 PolarHBondContact N-O 2.9Å; G131-T133 PolarHBondContact O-N 2.93Å; T133-D135 VanDerWaalsContact C-N 3.28Å; T133-D135 HydrophobicContact CG2-CB 4.28Å; T133-D135 PolarHBondContact O-N 3.44Å; T133-D135 PolarHBondContact OG1-N 3.46Å
134	D	98.3	Very high	97.2	Very high	39 Å²	39	56.7 Å²	56.7	21%	0.209	34%	0.338	C	S	.	.	S	Bend	trans	-83.4	5	172.9	77.5	-7.6	0	0	0	113.6	D117 R167 Y168	D117-D134 HydrophobicContact CB-CB 4Å; D117-D134 PolarHBondContact O-N 2.85Å; D134-R167 IonicContact OD1-CZ 2.91Å; D134-R167 IonicContact OD1-NE 3.62Å; D134-R167 PolarHBondContact OD1-NE 3.48Å; D134-R167 IonicContact OD1-NH2 2.85Å; D134-R167 VanDerWaalsContact OD2-CB 3.29Å; D134-R167 WeakPolarHBondContact OD2-CB 3.45Å; D134-R167 IonicContact OD2-NE 3.76Å; D134-Y168 HydrophobicContact CB-CE2 4.11Å; D134-Y168 PolarHBondContact O-OH 3.21Å
135	D	98	Very high	97.3	Very high	45 Å²	45	54.6 Å²	54.6	24%	0.241	33%	0.325	C	S	.	.			trans	-93	121.1	-173.4	-169.6	20.3	0	0	0	112.3	R120 T133 S137 R167	R120-D135 WeakPolarHBondContact CD-O 3.25Å; R120-D135 PolarHBondContact NH1-O 2.97Å; T133-D135 VanDerWaalsContact C-N 3.28Å; T133-D135 HydrophobicContact CG2-CB 4.28Å; T133-D135 PolarHBondContact O-N 3.44Å; T133-D135 PolarHBondContact OG1-N 3.46Å; D135-S137 VanDerWaalsContact CG-OG 3.32Å; D135-S137 WeakPolarHBondContact OD1-CB 3.37Å; D135-S137 PolarHBondContact OD1-N 3.36Å; D135-S137 VanDerWaalsContact OD1-N 3.08Å; D135-S137 PolarHBondContact OD1-OG 3.37Å; D135-S137 PolarHBondContact OD2-OG 3Å; D135-R167 IonicContact OD1-CZ 3.86Å; D135-R167 IonicContact OD1-NH1 4Å; D135-R167 PolarHBondContact OD1-NH1 2.84Å
136	L	97.9	Very high	97.4	Very high	15 Å²	15	53.6 Å²	53.6	8%	0.079	31%	0.311	C	S	.	.			trans	-107.4	15.3	-178.8	-56.5	178.9	0	0	0	112.5	L91 R120 G138 L139 I147 Y168 L182	L91-L136 HydrophobicContact CD2-CD1 3.33Å; R120-L136 HydrophobicContact CB-CD2 4.25Å; L136-G138 PolarHBondContact O-N 2.83Å; L136-L139 HydrophobicContact CB-CD1 3.82Å; L136-L139 HydrophobicContact CB-CG 4.31Å; L136-L139 HydrophobicContact CD2-CD1 3.62Å; L136-L139 HydrophobicContact CG-CD1 4.2Å; L136-L139 WeakPolarHBondContact O-CG 2.99Å; L136-L139 PolarHBondContact O-N 2.85Å; L136-I147 HydrophobicContact CD1-CD1 3.52Å; L136-I147 HydrophobicContact CD2-CD1 3.59Å; L136-I147 HydrophobicContact CG-CD1 4.22Å; L136-Y168 WeakPolarHBondContact CD1-OH 3.29Å; L136-Y168 VanDerWaalsContact CG-OH 3.32Å; L136-Y168 WeakPolarHBondContact CG-OH 3.4Å; L136-L182 HydrophobicContact CD1-CD1 4.1Å; L136-L182 HydrophobicContact CD1-CD2 3.79Å
137	S	96.2	Very high	97.4	Very high	69 Å²	69	50.4 Å²	50.4	48%	0.483	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	137.9	171.9	66.4	0	0	0	0	110.7	R120 D135 L139	R120-S137 PolarHBondContact NH1-O 2.71Å; D135-S137 VanDerWaalsContact CG-OG 3.32Å; D135-S137 WeakPolarHBondContact OD1-CB 3.37Å; D135-S137 PolarHBondContact OD1-N 3.36Å; D135-S137 VanDerWaalsContact OD1-N 3.08Å; D135-S137 PolarHBondContact OD1-OG 3.37Å; D135-S137 PolarHBondContact OD2-OG 3Å; S137-L139 VanDerWaalsContact C-N 3.32Å; S137-L139 PolarHBondContact O-N 2.88Å
138	G	96	Very high	97.4	Very high	81 Å²	81	48.3 Å²	48.3	84%	0.835	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	4.5	175.7	0	0	0	0	0	116.7	L136	L136-G138 PolarHBondContact O-N 2.83Å
139	L	97.1	Very high	97.5	Very high	22 Å²	22	51.7 Å²	51.7	12%	0.115	30%	0.296	C	S	.	.			trans	-67.5	147	175.8	-65.5	-171.1	0	0	0	112.5	V123 T124 L136 S137 E143 L144	V123-L139 HydrophobicContact CG2-CD1 3.78Å; V123-L139 HydrophobicContact CG2-CD2 4.14Å; T124-L139 HydrophobicContact CG2-CD2 4.35Å; L136-L139 HydrophobicContact CB-CD1 3.82Å; L136-L139 HydrophobicContact CB-CG 4.31Å; L136-L139 HydrophobicContact CD2-CD1 3.62Å; L136-L139 HydrophobicContact CG-CD1 4.2Å; L136-L139 WeakPolarHBondContact O-CG 2.99Å; L136-L139 PolarHBondContact O-N 2.85Å; S137-L139 VanDerWaalsContact C-N 3.32Å; S137-L139 PolarHBondContact O-N 2.88Å; L139-E143 VanDerWaalsContact CA-OE2 3.26Å; L139-E143 WeakPolarHBondContact CA-OE2 3.35Å; L139-E143 HydrophobicContact CB-CB 4.02Å; L139-E143 HydrophobicContact CD1-CB 4.33Å; L139-E143 HydrophobicContact CD2-CB 4.27Å; L139-E143 WeakPolarHBondContact CD2-OE2 3.43Å; L139-E143 HydrophobicContact CG-CB 4.43Å; L139-L144 HydrophobicContact CB-CD2 4.48Å; L139-L144 HydrophobicContact CB-CG 4.32Å
140	S	98	Very high	97.6	Very high	46 Å²	46	49.9 Å²	49.9	32%	0.322	28%	0.283	S	S	.	.			trans	-76	171.2	174.2	87.4	0	0	0	0	112.4	E142 E143 L144	S140-E142 VanDerWaalsContact C-N 3.3Å; S140-E142 WeakPolarHBondContact CB-OE2 3.41Å; S140-E142 PolarHBondContact O-N 3.41Å; S140-E142 PolarHBondContact OG-N 2.85Å; S140-E142 PolarHBondContact OG-OE2 3.13Å; S140-E143 PolarHBondContact N-OE2 3.16Å; S140-E143 PolarHBondContact O-N 2.8Å; S140-E143 PolarHBondContact OG-N 3.16Å; S140-L144 WeakPolarHBondContact O-CB 3.2Å; S140-L144 VanDerWaalsContact O-CG 3.31Å; S140-L144 WeakPolarHBondContact O-CG 3.48Å; S140-L144 PolarHBondContact O-N 3.4Å
141	N	98	Very high	97.7	Very high	62 Å²	62	43.4 Å²	43.4	33%	0.332	25%	0.249	S	C	.	.	H	α-helix	trans	-63.5	-38.3	174.9	-75.2	-17.5	0	0	0	111.5	L144 V145 A189 W192	N141-L144 PolarHBondContact O-N 2.96Å; N141-V145 WeakPolarHBondContact O-CG2 3.39Å; N141-V145 PolarHBondContact O-N 2.87Å; N141-A189 HydrophobicContact CB-CB 4.4Å; N141-W192 HydrophobicContact CB-CD2 3.75Å; N141-W192 HydrophobicContact CB-CE3 3.64Å; N141-W192 HydrophobicContact CB-CG 4.23Å; N141-W192 HydrophobicContact CB-CZ3 4.08Å
142	E	97.9	Very high	97.7	Very high	102 Å²	102	48.1 Å²	48.1	48%	0.477	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-43.7	176.6	-58.7	79.2	-177.2	0	0	111.3	S140 V145 A146 W192	S140-E142 VanDerWaalsContact C-N 3.3Å; S140-E142 WeakPolarHBondContact CB-OE2 3.41Å; S140-E142 PolarHBondContact O-N 3.41Å; S140-E142 PolarHBondContact OG-N 2.85Å; S140-E142 PolarHBondContact OG-OE2 3.13Å; E142-V145 WeakPolarHBondContact O-CB 3.37Å; E142-V145 PolarHBondContact O-N 2.82Å; E142-A146 PolarHBondContact O-N 3.45Å; E142-W192 VanDerWaalsContact CD-CH2 3.47Å; E142-W192 HydrophobicContact CG-CH2 3.6Å; E142-W192 HydrophobicContact CG-CZ3 3.94Å; E142-W192 WeakPolarHBondContact OE1-CH2 3.48Å; E142-W192 VanDerWaalsContact OE1-CZ2 3.25Å; E142-W192 WeakPolarHBondContact OE1-CZ2 3.41Å
143	E	98.3	Very high	97.6	Very high	59 Å²	59	51.4 Å²	51.4	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-68	-38.4	176.3	-67.4	174.1	133	0	0	111.6	V123 L139 S140 V145 A146 I147	V123-E143 HydrophobicContact CB-CB 4.32Å; V123-E143 WeakPolarHBondContact CG1-O 3.26Å; V123-E143 HydrophobicContact CG2-CB 4.34Å; L139-E143 VanDerWaalsContact CA-OE2 3.26Å; L139-E143 WeakPolarHBondContact CA-OE2 3.35Å; L139-E143 HydrophobicContact CB-CB 4.02Å; L139-E143 HydrophobicContact CD1-CB 4.33Å; L139-E143 HydrophobicContact CD2-CB 4.27Å; L139-E143 WeakPolarHBondContact CD2-OE2 3.43Å; L139-E143 HydrophobicContact CG-CB 4.43Å; S140-E143 PolarHBondContact N-OE2 3.16Å; S140-E143 PolarHBondContact O-N 2.8Å; S140-E143 PolarHBondContact OG-N 3.16Å; E143-V145 VanDerWaalsContact C-N 3.29Å; E143-V145 PolarHBondContact O-N 3.25Å; E143-A146 PolarHBondContact O-N 3.04Å; E143-I147 PolarHBondContact O-N 3.39Å
144	L	98.6	Very high	97.6	Very high	9 Å²	9	49.4 Å²	49.4	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-31.6	173.1	-74	172.2	0	0	0	112.6	L139 S140 N141 I147 Q148 L182 L185 L186 A189	L139-L144 HydrophobicContact CB-CD2 4.48Å; L139-L144 HydrophobicContact CB-CG 4.32Å; S140-L144 WeakPolarHBondContact O-CB 3.2Å; S140-L144 VanDerWaalsContact O-CG 3.31Å; S140-L144 WeakPolarHBondContact O-CG 3.48Å; S140-L144 PolarHBondContact O-N 3.4Å; N141-L144 PolarHBondContact O-N 2.96Å; L144-I147 VanDerWaalsContact O-CG2 3.28Å; L144-I147 WeakPolarHBondContact O-CG2 3.29Å; L144-Q148 PolarHBondContact O-N 3.39Å; L144-L182 HydrophobicContact CD2-CD1 3.95Å; L144-L185 HydrophobicContact CD1-CB 4.08Å; L144-L186 HydrophobicContact CB-CD2 4.15Å; L144-L186 HydrophobicContact CD2-CD2 3.86Å; L144-L186 VanDerWaalsContact O-CD2 3.26Å; L144-L186 WeakPolarHBondContact O-CD2 3.43Å; L144-A189 HydrophobicContact CB-CB 3.62Å; L144-A189 HydrophobicContact CD1-CB 4.3Å
145	V	98.4	Very high	97.4	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-50.8	171.7	169.3	0	0	0	0	110	N141 E142 E143 I147 Q148 E149 A189 M190 Q193	N141-V145 WeakPolarHBondContact O-CG2 3.39Å; N141-V145 PolarHBondContact O-N 2.87Å; E142-V145 WeakPolarHBondContact O-CB 3.37Å; E142-V145 PolarHBondContact O-N 2.82Å; E143-V145 VanDerWaalsContact C-N 3.29Å; E143-V145 PolarHBondContact O-N 3.25Å; V145-I147 VanDerWaalsContact C-N 3.31Å; V145-I147 PolarHBondContact O-N 3Å; V145-Q148 WeakPolarHBondContact O-CB 3.39Å; V145-Q148 PolarHBondContact O-N 3.35Å; V145-Q148 VanDerWaalsContact O-N 3.08Å; V145-E149 WeakPolarHBondContact O-CG 3.44Å; V145-E149 PolarHBondContact O-N 2.9Å; V145-A189 HydrophobicContact CG2-CB 4.16Å; V145-A189 WeakPolarHBondContact CG2-O 3.46Å; V145-M190 HydrophobicContact CB-CE 3.76Å; V145-M190 HydrophobicContact CG1-CE 3.82Å; V145-M190 HydrophobicContact CG2-CE 3.6Å; V145-Q193 HydrophobicContact CG1-CG 4.27Å; V145-Q193 HydrophobicContact CG2-CB 3.83Å; V145-Q193 HydrophobicContact CG2-CG 4.37Å
146	A	98.1	Very high	97.3	Very high	29 Å²	29	55.6 Å²	55.6	24%	0.24	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-39.5	-179.3	0	0	0	0	0	112.7	V123 E142 E143 E149 W150	V123-A146 HydrophobicContact CG1-CB 3.92Å; E142-A146 PolarHBondContact O-N 3.45Å; E143-A146 PolarHBondContact O-N 3.04Å; A146-E149 PolarHBondContact O-N 3.3Å; A146-W150 PolarHBondContact O-N 3.4Å
147	I	98	Very high	97.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.1	-35.4	177.1	-163.2	159.8	0	0	0	112.5	L90 L91 V123 L136 E143 L144 V145 E149 W150 V151 L186	L90-I147 HydrophobicContact CD1-CD1 4.2Å; L90-I147 HydrophobicContact CD1-CG1 4.05Å; L91-I147 HydrophobicContact CD2-CD1 3.6Å; L91-I147 HydrophobicContact CD2-CG1 4.17Å; L91-I147 HydrophobicContact CG-CD1 4.44Å; V123-I147 HydrophobicContact CG1-CB 3.73Å; V123-I147 HydrophobicContact CG1-CG1 4.45Å; L136-I147 HydrophobicContact CD1-CD1 3.52Å; L136-I147 HydrophobicContact CD2-CD1 3.59Å; L136-I147 HydrophobicContact CG-CD1 4.22Å; E143-I147 PolarHBondContact O-N 3.39Å; L144-I147 VanDerWaalsContact O-CG2 3.28Å; L144-I147 WeakPolarHBondContact O-CG2 3.29Å; V145-I147 VanDerWaalsContact C-N 3.31Å; V145-I147 PolarHBondContact O-N 3Å; I147-E149 VanDerWaalsContact C-N 3.34Å; I147-W150 PolarHBondContact O-N 2.86Å; I147-V151 WeakPolarHBondContact O-CG2 3.32Å; I147-V151 PolarHBondContact O-N 3.45Å; I147-L186 HydrophobicContact CG2-CD2 3.68Å
148	Q	97.7	Very high	97.2	Very high	42 Å²	42	56.7 Å²	56.7	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-65	-40.4	174.8	-176.1	58.7	58.3	0	0	111	L144 V145 W150 V151 D152 L186 M190	L144-Q148 PolarHBondContact O-N 3.39Å; V145-Q148 WeakPolarHBondContact O-CB 3.39Å; V145-Q148 PolarHBondContact O-N 3.35Å; V145-Q148 VanDerWaalsContact O-N 3.08Å; Q148-W150 VanDerWaalsContact C-N 3.3Å; Q148-W150 PolarHBondContact O-N 2.88Å; Q148-V151 WeakPolarHBondContact O-CB 3.48Å; Q148-V151 PolarHBondContact O-N 3.32Å; Q148-V151 VanDerWaalsContact O-N 3.16Å; Q148-D152 PolarHBondContact NE2-OD1 2.76Å; Q148-D152 PolarHBondContact O-N 2.87Å; Q148-L186 HydrophobicContact CB-CD2 4.42Å; Q148-M190 HydrophobicContact CB-CE 3.71Å; Q148-M190 HydrophobicContact CG-CE 3.99Å; Q148-M190 HydrophobicContact CG-SD 4.2Å
149	E	97.2	Very high	97.2	Very high	123 Å²	123	60 Å²	60	58%	0.575	30%	0.298	S	S	*	.	H	α-helix	trans	-60.7	-39.9	174.3	-66.8	177.6	161.6	0	0	111.8	V145 A146 I147 D152 F153	V145-E149 WeakPolarHBondContact O-CG 3.44Å; V145-E149 PolarHBondContact O-N 2.9Å; A146-E149 PolarHBondContact O-N 3.3Å; I147-E149 VanDerWaalsContact C-N 3.34Å; E149-D152 PolarHBondContact O-N 3.47Å; E149-F153 WeakPolarHBondContact O-CB 3.37Å; E149-F153 PolarHBondContact O-N 3.46Å
150	W	98.1	Very high	97.2	Very high	95 Å²	95	61.1 Å²	61.1	36%	0.36	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-44.3	172.2	-77.3	120.7	0	0	0	112.2	L90 F122 A146 I147 Q148 D152 F153 Y154	L90-W150 HydrophobicContact CD2-CB 3.85Å; F122-W150 HydrophobicContact CB-CG 4.36Å; F122-W150 AromaticContact CD1-CD2 3.92Å; F122-W150 HydrophobicContact CD1-CD2 3.92Å; F122-W150 HydrophobicContact CD1-CE3 4.36Å; F122-W150 AromaticContact CD1-CG 3.99Å; F122-W150 HydrophobicContact CD1-CG 3.99Å; F122-W150 PolarHBondContact O-NE1 3.27Å; F122-W150 VanDerWaalsContact O-NE1 3.11Å; A146-W150 PolarHBondContact O-N 3.4Å; I147-W150 PolarHBondContact O-N 2.86Å; Q148-W150 VanDerWaalsContact C-N 3.3Å; Q148-W150 PolarHBondContact O-N 2.88Å; W150-D152 VanDerWaalsContact C-N 3.29Å; W150-D152 PolarHBondContact O-N 3.29Å; W150-F153 HydrophobicContact CE3-CB 4.48Å; W150-F153 AromaticContact CE3-CD1 3.86Å; W150-F153 HydrophobicContact CE3-CD1 3.86Å; W150-F153 HydrophobicContact CE3-CE1 4.47Å; W150-F153 HydrophobicContact CE3-CG 4.36Å; W150-F153 AromaticContact CZ3-CD1 3.9Å; W150-F153 HydrophobicContact CZ3-CD1 3.9Å; W150-F153 HydrophobicContact CZ3-CE1 4.11Å; W150-F153 HydrophobicContact CZ3-CG 4.46Å; W150-F153 WeakPolarHBondContact O-CB 3.46Å; W150-F153 PolarHBondContact O-N 3.24Å; W150-Y154 HydrophobicContact CE3-CD2 4.41Å; W150-Y154 AromaticContact CE3-CE2 3.96Å; W150-Y154 HydrophobicContact CE3-CE2 3.96Å; W150-Y154 VanDerWaalsContact O-CD2 3.3Å; W150-Y154 WeakPolarHBondContact O-CD2 3.39Å; W150-Y154 PolarHBondContact O-N 3.4Å
151	V	97.2	Very high	97.2	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.036	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-43.3	176.8	170.6	0	0	0	0	111.1	L90 L91 I147 Q148 G155	L90-V151 HydrophobicContact CD2-CB 4.44Å; L90-V151 HydrophobicContact CD2-CG2 3.79Å; L90-V151 HydrophobicContact CG-CG2 3.91Å; L91-V151 HydrophobicContact CD1-CG2 3.61Å; L91-V151 HydrophobicContact CG-CG2 3.85Å; I147-V151 WeakPolarHBondContact O-CG2 3.32Å; I147-V151 PolarHBondContact O-N 3.45Å; Q148-V151 WeakPolarHBondContact O-CB 3.48Å; Q148-V151 PolarHBondContact O-N 3.32Å; Q148-V151 VanDerWaalsContact O-N 3.16Å; V151-G155 PolarHBondContact O-N 3.25Å
152	D	96.6	Very high	97.2	Very high	100 Å²	100	57.3 Å²	57.3	54%	0.535	28%	0.281	S	S	.	.	H	α-helix	trans	-66.1	-43.2	177.8	-68.8	-9.8	0	0	0	111.4	Q148 E149 W150 G155 K156	Q148-D152 PolarHBondContact NE2-OD1 2.76Å; Q148-D152 PolarHBondContact O-N 2.87Å; E149-D152 PolarHBondContact O-N 3.47Å; W150-D152 VanDerWaalsContact C-N 3.29Å; W150-D152 PolarHBondContact O-N 3.29Å; D152-G155 PolarHBondContact O-N 3.42Å; D152-K156 WeakPolarHBondContact O-CB 3.29Å; D152-K156 PolarHBondContact O-N 2.95Å; D152-K156 VanDerWaalsContact O-N 3.07Å
153	F	96.8	Very high	97.2	Very high	84 Å²	84	52.8 Å²	52.8	37%	0.368	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-51.6	174.7	171.4	-97	0	0	0	111.7	E149 W150 K156 E157 Y158	E149-F153 WeakPolarHBondContact O-CB 3.37Å; E149-F153 PolarHBondContact O-N 3.46Å; W150-F153 HydrophobicContact CE3-CB 4.48Å; W150-F153 AromaticContact CE3-CD1 3.86Å; W150-F153 HydrophobicContact CE3-CD1 3.86Å; W150-F153 HydrophobicContact CE3-CE1 4.47Å; W150-F153 HydrophobicContact CE3-CG 4.36Å; W150-F153 AromaticContact CZ3-CD1 3.9Å; W150-F153 HydrophobicContact CZ3-CD1 3.9Å; W150-F153 HydrophobicContact CZ3-CE1 4.11Å; W150-F153 HydrophobicContact CZ3-CG 4.46Å; W150-F153 WeakPolarHBondContact O-CB 3.46Å; W150-F153 PolarHBondContact O-N 3.24Å; F153-K156 PolarHBondContact O-N 2.98Å; F153-E157 HydrophobicContact CD2-CG 3.86Å; F153-E157 HydrophobicContact CE1-CG 4.45Å; F153-E157 HydrophobicContact CE2-CB 4.49Å; F153-E157 HydrophobicContact CE2-CG 3.57Å; F153-E157 HydrophobicContact CG-CG 4.43Å; F153-E157 HydrophobicContact CZ-CB 4.36Å; F153-E157 HydrophobicContact CZ-CG 3.89Å; F153-E157 WeakPolarHBondContact O-CB 3.46Å; F153-E157 WeakPolarHBondContact O-CG 3.3Å; F153-E157 PolarHBondContact O-N 2.97Å; F153-Y158 HydrophobicContact CE1-CE2 4.04Å
154	Y	96.9	Very high	97.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-67.3	-38.7	179.8	-84	-88	0	0	0	112.6	L88 L90 Y95 V97 Y104 F122 W150 K156 E157 Y158	L88-Y154 HydrophobicContact CD1-CD1 4.19Å; L88-Y154 HydrophobicContact CD1-CE1 3.81Å; L88-Y154 HydrophobicContact CD2-CE1 3.91Å; L88-Y154 HydrophobicContact CG-CE1 4.28Å; L90-Y154 HydrophobicContact CD2-CD2 3.87Å; L90-Y154 HydrophobicContact CD2-CE2 4.44Å; Y95-Y154 HydrophobicContact CD2-CD1 4.34Å; Y95-Y154 HydrophobicContact CD2-CG 4.44Å; Y95-Y154 WeakPolarHBondContact CE1-O 3.28Å; Y95-Y154 HydrophobicContact CG-CD1 4.28Å; V97-Y154 HydrophobicContact CG1-CD1 4.28Å; V97-Y154 HydrophobicContact CG1-CE1 3.89Å; Y104-Y154 PolarHBondContact OH-OH 3.37Å; F122-Y154 HydrophobicContact CD1-CE2 4.33Å; F122-Y154 AromaticContact CE1-CE2 3.48Å; F122-Y154 HydrophobicContact CE1-CE2 3.48Å; F122-Y154 VanDerWaalsContact CE1-CE2 3.48Å; F122-Y154 AromaticContact CE1-CZ 3.75Å; F122-Y154 VanDerWaalsContact CE1-OH 3.25Å; F122-Y154 WeakPolarHBondContact CE1-OH 3.43Å; F122-Y154 AromaticContact CZ-CE2 3.92Å; F122-Y154 HydrophobicContact CZ-CE2 3.92Å; F122-Y154 AromaticContact CZ-CZ 3.92Å; F122-Y154 WeakPolarHBondContact CZ-OH 3.3Å; W150-Y154 HydrophobicContact CE3-CD2 4.41Å; W150-Y154 AromaticContact CE3-CE2 3.96Å; W150-Y154 HydrophobicContact CE3-CE2 3.96Å; W150-Y154 VanDerWaalsContact O-CD2 3.3Å; W150-Y154 WeakPolarHBondContact O-CD2 3.39Å; W150-Y154 PolarHBondContact O-N 3.4Å; Y154-K156 PolarHBondContact O-N 3.21Å; Y154-E157 PolarHBondContact O-N 3.13Å; Y154-Y158 AromaticContact CD1-CD2 3.27Å; Y154-Y158 HydrophobicContact CD1-CD2 3.27Å; Y154-Y158 AromaticContact CD1-CE2 3.73Å; Y154-Y158 HydrophobicContact CD1-CE2 3.73Å; Y154-Y158 HydrophobicContact CD1-CG 4.14Å; Y154-Y158 AromaticContact CE1-CD2 3.69Å; Y154-Y158 HydrophobicContact CE1-CD2 3.69Å; Y154-Y158 AromaticContact CE1-CE2 3.65Å; Y154-Y158 HydrophobicContact CE1-CE2 3.65Å; Y154-Y158 HydrophobicContact CG-CD2 4.11Å; Y154-Y158 PolarHBondContact O-N 3.43Å
155	G	94.1	Very high	97.2	Very high	46 Å²	46	54.7 Å²	54.7	47%	0.474	27%	0.27	S	S	.	.	H	α-helix	trans	-57.8	-28	173.4	0	0	0	0	0	113.6	V151 D152	V151-G155 PolarHBondContact O-N 3.25Å; D152-G155 PolarHBondContact O-N 3.42Å
156	K	95.7	Very high	97.1	Very high	168 Å²	168	56.6 Å²	56.6	73%	0.73	29%	0.291	S	S	*	.	H	α-helix	trans	-90.7	-43	177.6	-176.9	-175.8	172.8	-170.2	0	113.3	D152 F153 Y154	D152-K156 WeakPolarHBondContact O-CB 3.29Å; D152-K156 PolarHBondContact O-N 2.95Å; D152-K156 VanDerWaalsContact O-N 3.07Å; F153-K156 PolarHBondContact O-N 2.98Å; Y154-K156 PolarHBondContact O-N 3.21Å
157	E	95.1	Very high	97.1	Very high	73 Å²	73	59.8 Å²	59.8	34%	0.341	30%	0.297	S	S	.	.	H	α-helix	trans	-90.2	-22.5	-168.3	-67	-57.3	135.9	0	0	114.2	F153 Y154	F153-E157 HydrophobicContact CD2-CG 3.86Å; F153-E157 HydrophobicContact CE1-CG 4.45Å; F153-E157 HydrophobicContact CE2-CB 4.49Å; F153-E157 HydrophobicContact CE2-CG 3.57Å; F153-E157 HydrophobicContact CG-CG 4.43Å; F153-E157 HydrophobicContact CZ-CB 4.36Å; F153-E157 HydrophobicContact CZ-CG 3.89Å; F153-E157 WeakPolarHBondContact O-CB 3.46Å; F153-E157 WeakPolarHBondContact O-CG 3.3Å; F153-E157 PolarHBondContact O-N 2.97Å; Y154-E157 PolarHBondContact O-N 3.13Å
158	Y	96.8	Very high	97.1	Very high	34 Å²	34	60.1 Å²	60.1	13%	0.133	30%	0.298	C	S	.	.	S	Bend	trans	-130.6	153.9	-173.4	-60.4	-77.5	0	0	0	112.3	D96 V97 F153 Y154 L160	D96-Y158 WeakPolarHBondContact O-CD1 3.38Å; V97-Y158 HydrophobicContact CB-CD1 4.06Å; V97-Y158 HydrophobicContact CB-CE1 4.01Å; V97-Y158 HydrophobicContact CG1-CD1 3.74Å; V97-Y158 HydrophobicContact CG1-CD2 4.17Å; V97-Y158 HydrophobicContact CG1-CE1 3.95Å; V97-Y158 HydrophobicContact CG1-CE2 4.37Å; V97-Y158 HydrophobicContact CG1-CG 3.83Å; F153-Y158 HydrophobicContact CE1-CE2 4.04Å; Y154-Y158 AromaticContact CD1-CD2 3.27Å; Y154-Y158 HydrophobicContact CD1-CD2 3.27Å; Y154-Y158 AromaticContact CD1-CE2 3.73Å; Y154-Y158 HydrophobicContact CD1-CE2 3.73Å; Y154-Y158 HydrophobicContact CD1-CG 4.14Å; Y154-Y158 AromaticContact CE1-CD2 3.69Å; Y154-Y158 HydrophobicContact CE1-CD2 3.69Å; Y154-Y158 AromaticContact CE1-CE2 3.65Å; Y154-Y158 HydrophobicContact CE1-CE2 3.65Å; Y154-Y158 HydrophobicContact CG-CD2 4.11Å; Y154-Y158 PolarHBondContact O-N 3.43Å; Y158-L160 PolarHBondContact O-N 2.91Å
159	K	96.3	Very high	97.2	Very high	152 Å²	152	59.6 Å²	59.6	66%	0.661	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	123.6	-179.9	-177.6	-178.3	177.1	-175.3	0	109.8	Y95 D96 V161	Y95-K159 WeakPolarHBondContact CA-O 3.41Å; D96-K159 HydrophobicContact CB-CB 4.43Å; D96-K159 PolarHBondContact N-O 3.44Å; K159-V161 HydrophobicContact CD-CG1 4.21Å; K159-V161 HydrophobicContact CG-CG1 4.13Å; K159-V161 PolarHBondContact O-N 3.16Å
160	L	97.4	Very high	97.2	Very high	45 Å²	45	55.8 Å²	55.8	24%	0.236	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	123.2	167.2	-173.6	70.3	0	0	0	109.4	L66 R93 Y95 Y158	L66-L160 HydrophobicContact CD1-CD2 3.82Å; L66-L160 HydrophobicContact CD1-CG 4.45Å; L66-L160 HydrophobicContact CD2-CD2 3.99Å; L66-L160 HydrophobicContact CD2-CG 3.91Å; R93-L160 HydrophobicContact CB-CD1 3.78Å; Y95-L160 HydrophobicContact CD1-CB 4.48Å; Y95-L160 HydrophobicContact CD1-CD1 4.35Å; Y95-L160 HydrophobicContact CE1-CB 4.29Å; Y95-L160 HydrophobicContact CE1-CD1 3.97Å; Y158-L160 PolarHBondContact O-N 2.91Å
161	V	97	Very high	97.1	Very high	28 Å²	28	53.5 Å²	53.5	17%	0.17	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-13.1	-177.8	-64.7	0	0	0	0	113.4	R67 Y87 V94 D96 K159	R67-V161 PolarHBondContact N-O 2.91Å; Y87-V161 HydrophobicContact CD2-CG2 4.1Å; Y87-V161 HydrophobicContact CE2-CG2 3.94Å; Y87-V161 HydrophobicContact CG-CG2 4.47Å; V94-V161 HydrophobicContact CB-CG2 4.16Å; V94-V161 HydrophobicContact CG1-CG2 3.71Å; V94-V161 WeakPolarHBondContact O-CG2 3.46Å; V94-V161 PolarHBondContact O-N 3.38Å; D96-V161 HydrophobicContact CB-CG1 3.92Å; K159-V161 HydrophobicContact CD-CG1 4.21Å; K159-V161 HydrophobicContact CG-CG1 4.13Å; K159-V161 PolarHBondContact O-N 3.16Å
162	G	98.1	Very high	97	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-163.7	-179.8	0	0	0	0	0	114.8	R67 V94	R67-G162 CarbonylContact O-C 3.52Å; R67-G162 WeakPolarHBondContact O-CA 3.39Å; V94-G162 PolarHBondContact N-O 2.91Å; V94-G162 PolarHBondContact O-N 3.43Å
163	V	98.4	Very high	97	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.036	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.7	174.1	-64.6	0	0	0	0	111.3	R67 V68 F69 G92 Y169	R67-V163 PolarHBondContact O-N 2.88Å; V68-V163 CarbonylContact C-O 3.31Å; V68-V163 WeakPolarHBondContact CA-O 3.07Å; V68-V163 HydrophobicContact CG2-CG2 4.16Å; F69-V163 PolarHBondContact N-O 3.38Å; G92-V163 CarbonylContact O-C 3.26Å; G92-V163 WeakPolarHBondContact O-CA 3.47Å; G92-V163 WeakPolarHBondContact O-CB 3.45Å; V163-Y169 HydrophobicContact CB-CD1 4.19Å; V163-Y169 HydrophobicContact CB-CD2 3.62Å; V163-Y169 HydrophobicContact CB-CE1 4.45Å; V163-Y169 HydrophobicContact CB-CE2 3.91Å; V163-Y169 HydrophobicContact CB-CG 3.76Å; V163-Y169 HydrophobicContact CG1-CD1 4.05Å; V163-Y169 HydrophobicContact CG1-CD2 3.88Å; V163-Y169 HydrophobicContact CG1-CE1 3.84Å; V163-Y169 HydrophobicContact CG1-CE2 3.65Å; V163-Y169 HydrophobicContact CG1-CG 4.06Å; V163-Y169 HydrophobicContact CG2-CD1 4.26Å; V163-Y169 HydrophobicContact CG2-CD2 4.35Å; V163-Y169 HydrophobicContact CG2-CG 3.99Å
164	V	98.5	Very high	97	Very high	14 Å²	14	58.1 Å²	58.1	9%	0.085	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.8	175.9	-169.2	0	0	0	0	109.3	F69 L74 A89 G92 V94 G166	F69-V164 CarbonylContact O-C 3.6Å; F69-V164 WeakPolarHBondContact O-CA 3.49Å; L74-V164 HydrophobicContact CD2-CG2 3.63Å; A89-V164 HydrophobicContact CB-CG2 3.56Å; G92-V164 PolarHBondContact O-N 3.44Å; V94-V164 HydrophobicContact CG2-CG2 3.47Å; V94-V164 VanDerWaalsContact CG2-CG2 3.47Å; V164-G166 PolarHBondContact O-N 3.31Å
165	Q	98.2	Very high	97	Very high	94 Å²	94	60.9 Å²	60.9	44%	0.439	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-63.1	123.4	168.1	175.5	-175.7	-9	0	0	109.1	V68 F69 Y169 A171	V68-Q165 HydrophobicContact CG1-CB 3.8Å; F69-Q165 PolarHBondContact O-N 2.82Å; Q165-Y169 WeakPolarHBondContact CA-O 3.34Å; Q165-A171 HydrophobicContact CG-CB 4.39Å
166	G	97.7	Very high	97.2	Very high	47 Å²	47	59.6 Å²	59.6	49%	0.485	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	162.5	-129	-178	0	0	0	0	0	112.2	V164 Y168 Y169	V164-G166 PolarHBondContact O-N 3.31Å; G166-Y168 VanDerWaalsContact C-N 3.34Å; G166-Y168 PolarHBondContact O-N 2.98Å; G166-Y169 PolarHBondContact N-O 3.05Å
167	R	98	Very high	97.3	Very high	97 Å²	97	60 Å²	60	37%	0.366	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-41.3	-175.3	-174.7	176.3	-61.6	-85.3	-5.7	112.7	D134 D135 S176 Q178	D134-R167 IonicContact OD1-CZ 2.91Å; D134-R167 IonicContact OD1-NE 3.62Å; D134-R167 PolarHBondContact OD1-NE 3.48Å; D134-R167 IonicContact OD1-NH2 2.85Å; D134-R167 VanDerWaalsContact OD2-CB 3.29Å; D134-R167 WeakPolarHBondContact OD2-CB 3.45Å; D134-R167 IonicContact OD2-NE 3.76Å; D135-R167 IonicContact OD1-CZ 3.86Å; D135-R167 IonicContact OD1-NH1 4Å; D135-R167 PolarHBondContact OD1-NH1 2.84Å; R167-S176 WeakPolarHBondContact O-CB 3.45Å; R167-S176 PolarHBondContact O-OG 3.48Å; R167-Q178 HydrophobicContact CG-CB 4.38Å
168	Y	98.3	Very high	97.4	Very high	7 Å²	7	61.8 Å²	61.8	3%	0.027	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-29.8	-170.1	-58.3	-59	0	0	0	114.5	L91 D134 L136 G166 S176 L179 L182	L91-Y168 HydrophobicContact CD2-CE2 4.45Å; D134-Y168 HydrophobicContact CB-CE2 4.11Å; D134-Y168 PolarHBondContact O-OH 3.21Å; L136-Y168 WeakPolarHBondContact CD1-OH 3.29Å; L136-Y168 VanDerWaalsContact CG-OH 3.32Å; L136-Y168 WeakPolarHBondContact CG-OH 3.4Å; G166-Y168 VanDerWaalsContact C-N 3.34Å; G166-Y168 PolarHBondContact O-N 2.98Å; Y168-S176 WeakPolarHBondContact O-CB 3.47Å; Y168-S176 PolarHBondContact O-N 2.03Å; Y168-S176 PolarHBondContact O-OG 3.3Å; Y168-L179 HydrophobicContact CD1-CB 4.18Å; Y168-L179 HydrophobicContact CD1-CD1 4.05Å; Y168-L179 HydrophobicContact CG-CD1 4.47Å; Y168-L179 VanDerWaalsContact O-CB 3.26Å; Y168-L179 WeakPolarHBondContact O-CB 3.2Å; Y168-L179 WeakPolarHBondContact O-CD2 3.38Å; Y168-L182 HydrophobicContact CD1-CD2 4.27Å; Y168-L182 HydrophobicContact CE1-CD2 3.54Å
169	Y	98.3	Very high	97.5	Very high	30 Å²	30	60.5 Å²	60.5	12%	0.118	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-131	144.3	-179.4	-60.4	-85.7	0	0	0	111.3	L91 R93 V163 Q165 G166 G173 R174 P175 L179	L91-Y169 WeakPolarHBondContact O-CE2 3.43Å; R93-Y169 HydrophobicContact CG-CE2 4.31Å; R93-Y169 WeakPolarHBondContact CG-OH 3.41Å; V163-Y169 HydrophobicContact CB-CD1 4.19Å; V163-Y169 HydrophobicContact CB-CD2 3.62Å; V163-Y169 HydrophobicContact CB-CE1 4.45Å; V163-Y169 HydrophobicContact CB-CE2 3.91Å; V163-Y169 HydrophobicContact CB-CG 3.76Å; V163-Y169 HydrophobicContact CG1-CD1 4.05Å; V163-Y169 HydrophobicContact CG1-CD2 3.88Å; V163-Y169 HydrophobicContact CG1-CE1 3.84Å; V163-Y169 HydrophobicContact CG1-CE2 3.65Å; V163-Y169 HydrophobicContact CG1-CG 4.06Å; V163-Y169 HydrophobicContact CG2-CD1 4.26Å; V163-Y169 HydrophobicContact CG2-CD2 4.35Å; V163-Y169 HydrophobicContact CG2-CG 3.99Å; Q165-Y169 WeakPolarHBondContact CA-O 3.34Å; G166-Y169 PolarHBondContact N-O 3.05Å; Y169-G173 WeakPolarHBondContact CD1-O 3.45Å; Y169-R174 WeakPolarHBondContact CA-O 3.36Å; Y169-P175 HydrophobicContact CE1-CG 4.46Å; Y169-L179 HydrophobicContact CD1-CD2 4.24Å; Y169-L179 HydrophobicContact CE1-CD2 3.67Å; Y169-L179 HydrophobicContact CE2-CD2 4.1Å
170	D	97.1	Very high	97.5	Very high	43 Å²	43	58.9 Å²	58.9	23%	0.23	30%	0.298	C	S	.	.			trans	-80.3	-178.7	174.3	73.5	10.8	0	0	0	112.7	Q172 G173 R174	D170-Q172 PolarHBondContact O-N 3.02Å; D170-Q172 VanDerWaalsContact O-N 3.1Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.36Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.19Å; D170-Q172 PolarHBondContact OD1-N 2.83Å; D170-G173 PolarHBondContact O-N 2.95Å; D170-G173 PolarHBondContact OD1-N 3.26Å; D170-G173 VanDerWaalsContact OD1-N 3.1Å; D170-R174 PolarHBondContact N-O 3.38Å; D170-R174 WeakPolarHBondContact OD1-CB 3.38Å; D170-R174 PolarHBondContact OD1-N 3.18Å; D170-R174 IonicContact OD1-NE 2.8Å; D170-R174 IonicContact OD2-CZ 2.73Å; D170-R174 IonicContact OD2-NE 2.75Å; D170-R174 PolarHBondContact OD2-NE 3.08Å; D170-R174 IonicContact OD2-NH2 3.15Å; D170-R174 PolarHBondContact OD2-NH2 2.89Å
171	A	96.5	Very high	97.5	Very high	47 Å²	47	61.4 Å²	61.4	39%	0.388	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14	179.7	0	0	0	0	0	114.1	Q165	Q165-A171 HydrophobicContact CG-CB 4.39Å
172	Q	95.5	Very high	97.6	Very high	123 Å²	123	60.7 Å²	60.7	58%	0.575	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	6.6	175.2	-65.9	74.6	47.7	0	0	111.7	D170 R174	D170-Q172 PolarHBondContact O-N 3.02Å; D170-Q172 VanDerWaalsContact O-N 3.1Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.36Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.19Å; D170-Q172 PolarHBondContact OD1-N 2.83Å; Q172-R174 VanDerWaalsContact C-N 3.28Å; Q172-R174 HydrophobicContact CB-CG 4.17Å; Q172-R174 PolarHBondContact O-N 2.88Å
173	G	96.2	Very high	97.6	Very high	21 Å²	21	65.3 Å²	65.3	22%	0.216	33%	0.325	C	S	.	.	S	Bend	trans	74.5	15.6	-178.9	0	0	0	0	0	113.9	Y169 D170	Y169-G173 WeakPolarHBondContact CD1-O 3.45Å; D170-G173 PolarHBondContact O-N 2.95Å; D170-G173 PolarHBondContact OD1-N 3.26Å; D170-G173 VanDerWaalsContact OD1-N 3.1Å
174	R	96.3	Very high	97.5	Very high	143 Å²	143	70 Å²	70	54%	0.54	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-88.1	145.2	-179.2	-55.9	174.7	-62.2	-170.1	-1.6	110.5	Y169 D170 Q172 S176	Y169-R174 WeakPolarHBondContact CA-O 3.36Å; D170-R174 PolarHBondContact N-O 3.38Å; D170-R174 WeakPolarHBondContact OD1-CB 3.38Å; D170-R174 PolarHBondContact OD1-N 3.18Å; D170-R174 IonicContact OD1-NE 2.8Å; D170-R174 IonicContact OD2-CZ 2.73Å; D170-R174 IonicContact OD2-NE 2.75Å; D170-R174 PolarHBondContact OD2-NE 3.08Å; D170-R174 IonicContact OD2-NH2 3.15Å; D170-R174 PolarHBondContact OD2-NH2 2.89Å; Q172-R174 VanDerWaalsContact C-N 3.28Å; Q172-R174 HydrophobicContact CB-CG 4.17Å; Q172-R174 PolarHBondContact O-N 2.88Å; R174-S176 PolarHBondContact O-N 3.39Å
175	P	97.4	Very high	97.5	Very high	61 Å²	61	71.9 Å²	71.9	40%	0.396	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-54.5	126.6	177.2	-29.8	36.9	0	0	0	113.4	Y169 L179 K180	Y169-P175 HydrophobicContact CE1-CG 4.46Å; P175-L179 HydrophobicContact CB-CD2 3.91Å; P175-L179 HydrophobicContact CB-CG 4.48Å; P175-L179 HydrophobicContact CG-CD2 4.36Å; P175-K180 HydrophobicContact CB-CG 4.47Å
176	S	97.9	Very high	97.5	Very high	18 Å²	18	67.8 Å²	67.8	13%	0.126	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-71.5	171.4	175	79.9	0	0	0	0	111.7	R167 Y168 R174 Q178 L179 K180	R167-S176 WeakPolarHBondContact O-CB 3.45Å; R167-S176 PolarHBondContact O-OG 3.48Å; Y168-S176 WeakPolarHBondContact O-CB 3.47Å; Y168-S176 PolarHBondContact O-N 2.03Å; Y168-S176 PolarHBondContact O-OG 3.3Å; R174-S176 PolarHBondContact O-N 3.39Å; S176-Q178 PolarHBondContact O-N 3.23Å; S176-Q178 PolarHBondContact OG-N 2.9Å; S176-Q178 PolarHBondContact OG-OE1 2.74Å; S176-L179 PolarHBondContact O-N 3.43Å; S176-L179 PolarHBondContact OG-N 3.33Å; S176-K180 WeakPolarHBondContact O-CG 3.46Å; S176-K180 PolarHBondContact O-N 2.94Å
177	K	97.9	Very high	97.4	Very high	177 Å²	177	71 Å²	71	77%	0.77	34%	0.34	S	S	*	.	H	α-helix	trans	-63.3	-35.8	171.5	-176.1	179.1	176.4	-176.5	0	111.3	K180 H181	K177-K180 PolarHBondContact O-N 2.86Å; K177-H181 PolarHBondContact O-N 2.83Å
178	Q	97.5	Very high	97.4	Very high	110 Å²	110	72.7 Å²	72.7	51%	0.514	35%	0.346	S	S	.	.	H	α-helix	trans	-67.9	-42.4	179.9	-68.2	76.3	-4.2	0	0	110.8	R167 S176 H181 L182	R167-Q178 HydrophobicContact CG-CB 4.38Å; S176-Q178 PolarHBondContact O-N 3.23Å; S176-Q178 PolarHBondContact OG-N 2.9Å; S176-Q178 PolarHBondContact OG-OE1 2.74Å; Q178-H181 PolarHBondContact O-N 2.92Å; Q178-L182 WeakPolarHBondContact O-CB 3.14Å; Q178-L182 PolarHBondContact O-N 3.32Å
179	L	98	Very high	97.4	Very high	7 Å²	7	72.4 Å²	72.4	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-46.8	174.9	-179.4	56.4	0	0	0	111.3	Y168 Y169 P175 S176 H181 L182 E183	Y168-L179 HydrophobicContact CD1-CB 4.18Å; Y168-L179 HydrophobicContact CD1-CD1 4.05Å; Y168-L179 HydrophobicContact CG-CD1 4.47Å; Y168-L179 VanDerWaalsContact O-CB 3.26Å; Y168-L179 WeakPolarHBondContact O-CB 3.2Å; Y168-L179 WeakPolarHBondContact O-CD2 3.38Å; Y169-L179 HydrophobicContact CD1-CD2 4.24Å; Y169-L179 HydrophobicContact CE1-CD2 3.67Å; Y169-L179 HydrophobicContact CE2-CD2 4.1Å; P175-L179 HydrophobicContact CB-CD2 3.91Å; P175-L179 HydrophobicContact CB-CG 4.48Å; P175-L179 HydrophobicContact CG-CD2 4.36Å; S176-L179 PolarHBondContact O-N 3.43Å; S176-L179 PolarHBondContact OG-N 3.33Å; L179-H181 VanDerWaalsContact C-N 3.26Å; L179-H181 PolarHBondContact O-N 3.37Å; L179-L182 WeakPolarHBondContact O-CB 3.28Å; L179-L182 PolarHBondContact O-N 2.89Å; L179-L182 VanDerWaalsContact O-N 3.1Å; L179-E183 HydrophobicContact CD1-CG 4.32Å; L179-E183 HydrophobicContact CG-CG 4.47Å; L179-E183 WeakPolarHBondContact O-CG 2.99Å; L179-E183 PolarHBondContact O-N 2.87Å
180	K	97.8	Very high	97.4	Very high	118 Å²	118	74 Å²	74	51%	0.513	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-37	176.6	-68.1	175.8	-175.8	-178.9	0	112.9	P175 S176 K177 Q184	P175-K180 HydrophobicContact CB-CG 4.47Å; S176-K180 WeakPolarHBondContact O-CG 3.46Å; S176-K180 PolarHBondContact O-N 2.94Å; K177-K180 PolarHBondContact O-N 2.86Å; K180-Q184 WeakPolarHBondContact O-CG 3.2Å; K180-Q184 PolarHBondContact O-N 2.83Å
181	H	97.7	Very high	97.4	Very high	99 Å²	99	76.1 Å²	76.1	46%	0.458	36%	0.363	S	S	.	.	H	α-helix	trans	-69.5	-43.1	175.4	-177.8	52.9	0	0	0	111.7	K177 Q178 L179 E183 Q184 L185	K177-H181 PolarHBondContact O-N 2.83Å; Q178-H181 PolarHBondContact O-N 2.92Å; L179-H181 VanDerWaalsContact C-N 3.26Å; L179-H181 PolarHBondContact O-N 3.37Å; H181-E183 VanDerWaalsContact C-N 3.34Å; H181-E183 PolarHBondContact O-N 2.03Å; H181-Q184 WeakPolarHBondContact O-CB 3.38Å; H181-Q184 PolarHBondContact O-N 3.49Å; H181-L185 PolarHBondContact O-N 2.94Å; H181-L185 VanDerWaalsContact O-N 3.09Å
182	L	97.8	Very high	97.5	Very high	12 Å²	12	76.8 Å²	76.8	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-59.8	-44	174.8	177.6	63.9	0	0	0	111.3	L91 L136 L144 Y168 Q178 L179 Q184 L185 L186	L91-L182 HydrophobicContact CD1-CD2 4.09Å; L91-L182 HydrophobicContact CD2-CD2 3.86Å; L136-L182 HydrophobicContact CD1-CD1 4.1Å; L136-L182 HydrophobicContact CD1-CD2 3.79Å; L144-L182 HydrophobicContact CD2-CD1 3.95Å; Y168-L182 HydrophobicContact CD1-CD2 4.27Å; Y168-L182 HydrophobicContact CE1-CD2 3.54Å; Q178-L182 WeakPolarHBondContact O-CB 3.14Å; Q178-L182 PolarHBondContact O-N 3.32Å; L179-L182 WeakPolarHBondContact O-CB 3.28Å; L179-L182 PolarHBondContact O-N 2.89Å; L179-L182 VanDerWaalsContact O-N 3.1Å; L182-Q184 PolarHBondContact O-N 2.79Å; L182-L185 CarbonylContact O-C 3.4Å; L182-L185 WeakPolarHBondContact O-CA 3.36Å; L182-L185 WeakPolarHBondContact O-CB 3.38Å; L182-L185 PolarHBondContact O-N 3.16Å; L182-L186 HydrophobicContact CD1-CD1 4.38Å; L182-L186 HydrophobicContact CD1-CD2 4.45Å; L182-L186 HydrophobicContact CD1-CG 4.12Å; L182-L186 HydrophobicContact CD2-CD1 4.44Å; L182-L186 HydrophobicContact CG-CD1 3.92Å; L182-L186 HydrophobicContact CG-CG 4.15Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.25Å
183	E	97.5	Very high	97.6	Very high	97 Å²	97	73.5 Å²	73.5	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-55.6	-38.4	175.7	-73.1	169.5	166.7	0	0	112	L179 H181 H187	L179-E183 HydrophobicContact CD1-CG 4.32Å; L179-E183 HydrophobicContact CG-CG 4.47Å; L179-E183 WeakPolarHBondContact O-CG 2.99Å; L179-E183 PolarHBondContact O-N 2.87Å; H181-E183 VanDerWaalsContact C-N 3.34Å; H181-E183 PolarHBondContact O-N 2.03Å; E183-H187 WeakPolarHBondContact O-CB 2.94Å; E183-H187 PolarHBondContact O-N 3.14Å
184	Q	97.5	Very high	97.6	Very high	104 Å²	104	79.3 Å²	79.3	49%	0.486	36%	0.362	S	S	.	.	H	α-helix	trans	-68.3	-38	173.9	-66.7	172.5	-7.2	0	0	112.7	K180 H181 L182 R188	K180-Q184 WeakPolarHBondContact O-CG 3.2Å; K180-Q184 PolarHBondContact O-N 2.83Å; H181-Q184 WeakPolarHBondContact O-CB 3.38Å; H181-Q184 PolarHBondContact O-N 3.49Å; L182-Q184 PolarHBondContact O-N 2.79Å; Q184-R188 WeakPolarHBondContact O-CG 3.34Å; Q184-R188 PolarHBondContact O-N 3.44Å; Q184-R188 VanDerWaalsContact O-N 3.13Å
185	L	98	Very high	97.5	Very high	55 Å²	55	78.5 Å²	78.5	29%	0.288	36%	0.364	S	S	.	.	H	α-helix	trans	-66.6	-44.5	175.7	-66.9	176.1	0	0	0	111.1	L144 H181 L182 H187 R188 A189	L144-L185 HydrophobicContact CD1-CB 4.08Å; H181-L185 PolarHBondContact O-N 2.94Å; H181-L185 VanDerWaalsContact O-N 3.09Å; L182-L185 CarbonylContact O-C 3.4Å; L182-L185 WeakPolarHBondContact O-CA 3.36Å; L182-L185 WeakPolarHBondContact O-CB 3.38Å; L182-L185 PolarHBondContact O-N 3.16Å; L185-H187 PolarHBondContact O-N 2.92Å; L185-R188 PolarHBondContact O-N 3.25Å; L185-A189 WeakPolarHBondContact O-CB 3.23Å; L185-A189 PolarHBondContact O-N 2.88Å
186	L	97.6	Very high	97.4	Very high	7 Å²	7	78.9 Å²	78.9	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-60.4	-44.7	175.9	-66.6	171.5	0	0	0	111	L91 L144 I147 Q148 L182 R188 A189 M190	L91-L186 HydrophobicContact CD1-CD1 4.04Å; L144-L186 HydrophobicContact CB-CD2 4.15Å; L144-L186 HydrophobicContact CD2-CD2 3.86Å; L144-L186 VanDerWaalsContact O-CD2 3.26Å; L144-L186 WeakPolarHBondContact O-CD2 3.43Å; I147-L186 HydrophobicContact CG2-CD2 3.68Å; Q148-L186 HydrophobicContact CB-CD2 4.42Å; L182-L186 HydrophobicContact CD1-CD1 4.38Å; L182-L186 HydrophobicContact CD1-CD2 4.45Å; L182-L186 HydrophobicContact CD1-CG 4.12Å; L182-L186 HydrophobicContact CD2-CD1 4.44Å; L182-L186 HydrophobicContact CG-CD1 3.92Å; L182-L186 HydrophobicContact CG-CG 4.15Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.25Å; L186-R188 PolarHBondContact O-N 3.12Å; L186-A189 PolarHBondContact O-N 3.23Å; L186-M190 WeakPolarHBondContact O-CG 3.36Å; L186-M190 PolarHBondContact O-N 2.96Å
187	H	97	Very high	97.3	Very high	115 Å²	115	82.2 Å²	82.2	53%	0.532	38%	0.377	S	S	.	.	H	α-helix	trans	-58.9	-46.5	176.1	-176.2	63.5	0	0	0	112.3	E183 L185 A189 M190 E191	E183-H187 WeakPolarHBondContact O-CB 2.94Å; E183-H187 PolarHBondContact O-N 3.14Å; L185-H187 PolarHBondContact O-N 2.92Å; H187-A189 VanDerWaalsContact C-N 3.33Å; H187-A189 PolarHBondContact O-N 3.38Å; H187-M190 WeakPolarHBondContact O-CB 3.36Å; H187-M190 PolarHBondContact O-N 2.95Å; H187-E191 IonicContact CD2-OE1 3.42Å; H187-E191 IonicContact NE2-OE1 3.5Å; H187-E191 PolarHBondContact NE2-OE1 2.79Å; H187-E191 WeakPolarHBondContact O-CG 3.37Å; H187-E191 PolarHBondContact O-N 3.35Å
188	R	97.9	Very high	97.1	Very high	133 Å²	133	75.9 Å²	75.9	50%	0.502	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-36.5	176.4	-70.1	178.6	-162.8	146.6	5.8	112.6	Q184 L185 L186 M190 E191 W192	Q184-R188 WeakPolarHBondContact O-CG 3.34Å; Q184-R188 PolarHBondContact O-N 3.44Å; Q184-R188 VanDerWaalsContact O-N 3.13Å; L185-R188 PolarHBondContact O-N 3.25Å; L186-R188 PolarHBondContact O-N 3.12Å; R188-M190 VanDerWaalsContact C-N 3.34Å; R188-E191 PolarHBondContact O-N 3.18Å; R188-W192 VanDerWaalsContact O-CB 3.29Å; R188-W192 WeakPolarHBondContact O-CB 3.42Å; R188-W192 PolarHBondContact O-N 2.86Å
189	A	98.2	Very high	97	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64.6	-39.8	176.1	0	0	0	0	0	111.2	N141 L144 V145 L185 L186 H187 W192 Q193	N141-A189 HydrophobicContact CB-CB 4.4Å; L144-A189 HydrophobicContact CB-CB 3.62Å; L144-A189 HydrophobicContact CD1-CB 4.3Å; V145-A189 HydrophobicContact CG2-CB 4.16Å; V145-A189 WeakPolarHBondContact CG2-O 3.46Å; L185-A189 WeakPolarHBondContact O-CB 3.23Å; L185-A189 PolarHBondContact O-N 2.88Å; L186-A189 PolarHBondContact O-N 3.23Å; H187-A189 VanDerWaalsContact C-N 3.33Å; H187-A189 PolarHBondContact O-N 3.38Å; A189-W192 WeakPolarHBondContact O-CB 3.37Å; A189-W192 PolarHBondContact O-N 3.1Å; A189-Q193 PolarHBondContact O-N 3.48Å
190	M	97.8	Very high	96.9	Very high	64 Å²	64	75.5 Å²	75.5	32%	0.315	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-45.7	172.5	-67.5	-64.5	110.7	0	0	112.5	V145 Q148 L186 H187 R188 W192 Q193 Q194	V145-M190 HydrophobicContact CB-CE 3.76Å; V145-M190 HydrophobicContact CG1-CE 3.82Å; V145-M190 HydrophobicContact CG2-CE 3.6Å; Q148-M190 HydrophobicContact CB-CE 3.71Å; Q148-M190 HydrophobicContact CG-CE 3.99Å; Q148-M190 HydrophobicContact CG-SD 4.2Å; L186-M190 WeakPolarHBondContact O-CG 3.36Å; L186-M190 PolarHBondContact O-N 2.96Å; H187-M190 WeakPolarHBondContact O-CB 3.36Å; H187-M190 PolarHBondContact O-N 2.95Å; R188-M190 VanDerWaalsContact C-N 3.34Å; M190-W192 VanDerWaalsContact C-N 3.3Å; M190-W192 PolarHBondContact O-N 2.91Å; M190-Q193 PolarHBondContact O-N 3.07Å; M190-Q194 PolarHBondContact O-N 2.03Å
191	E	97.5	Very high	96.8	Very high	88 Å²	88	76.2 Å²	76.2	41%	0.411	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-42.5	175.4	-70.5	179.6	144.6	0	0	111.3	H187 R188 Q194 Q195	H187-E191 IonicContact CD2-OE1 3.42Å; H187-E191 IonicContact NE2-OE1 3.5Å; H187-E191 PolarHBondContact NE2-OE1 2.79Å; H187-E191 WeakPolarHBondContact O-CG 3.37Å; H187-E191 PolarHBondContact O-N 3.35Å; R188-E191 PolarHBondContact O-N 3.18Å; E191-Q194 PolarHBondContact O-N 3.43Å; E191-Q195 WeakPolarHBondContact O-CG 2.98Å; E191-Q195 PolarHBondContact O-N 3.47Å
192	W	97.5	Very high	96.7	Very high	60 Å²	60	73 Å²	73	23%	0.227	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-45.9	175	173.3	88.1	0	0	0	111.5	N141 E142 R188 A189 M190 Q194 Q195 Q196	N141-W192 HydrophobicContact CB-CD2 3.75Å; N141-W192 HydrophobicContact CB-CE3 3.64Å; N141-W192 HydrophobicContact CB-CG 4.23Å; N141-W192 HydrophobicContact CB-CZ3 4.08Å; E142-W192 VanDerWaalsContact CD-CH2 3.47Å; E142-W192 HydrophobicContact CG-CH2 3.6Å; E142-W192 HydrophobicContact CG-CZ3 3.94Å; E142-W192 WeakPolarHBondContact OE1-CH2 3.48Å; E142-W192 VanDerWaalsContact OE1-CZ2 3.25Å; E142-W192 WeakPolarHBondContact OE1-CZ2 3.41Å; R188-W192 VanDerWaalsContact O-CB 3.29Å; R188-W192 WeakPolarHBondContact O-CB 3.42Å; R188-W192 PolarHBondContact O-N 2.86Å; A189-W192 WeakPolarHBondContact O-CB 3.37Å; A189-W192 PolarHBondContact O-N 3.1Å; M190-W192 VanDerWaalsContact C-N 3.3Å; M190-W192 PolarHBondContact O-N 2.91Å; W192-Q194 VanDerWaalsContact C-N 3.31Å; W192-Q194 PolarHBondContact O-N 3.02Å; W192-Q195 WeakPolarHBondContact O-CB 3.41Å; W192-Q195 PolarHBondContact O-N 3.34Å; W192-Q195 VanDerWaalsContact O-N 3.16Å; W192-Q196 HydrophobicContact CD2-CG 4.05Å; W192-Q196 HydrophobicContact CE3-CG 4.32Å; W192-Q196 HydrophobicContact CH2-CG 3.84Å; W192-Q196 HydrophobicContact CZ2-CG 3.57Å; W192-Q196 HydrophobicContact CZ3-CG 4.21Å; W192-Q196 WeakPolarHBondContact O-CG 3.49Å; W192-Q196 PolarHBondContact O-N 2.95Å
193	Q	97.5	Very high	96.7	Very high	55 Å²	55	72.5 Å²	72.5	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-40.5	176.4	-177.4	65	54.3	0	0	111.7	V145 A189 M190 Q195 Q196 N197	V145-Q193 HydrophobicContact CG1-CG 4.27Å; V145-Q193 HydrophobicContact CG2-CB 3.83Å; V145-Q193 HydrophobicContact CG2-CG 4.37Å; A189-Q193 PolarHBondContact O-N 3.48Å; M190-Q193 PolarHBondContact O-N 3.07Å; Q193-Q195 VanDerWaalsContact C-N 3.32Å; Q193-Q195 PolarHBondContact O-N 2.83Å; Q193-Q196 PolarHBondContact O-N 3.43Å; Q193-N197 PolarHBondContact NE2-OD1 2.86Å; Q193-N197 WeakPolarHBondContact O-CB 3.34Å; Q193-N197 PolarHBondContact O-N 3.47Å; Q193-N197 PolarHBondContact O-OD1 2.93Å
194	Q	96.2	Very high	96.7	Very high	143 Å²	143	67.9 Å²	67.9	67%	0.668	32%	0.323	S	S	*	.	H	α-helix	trans	-61.9	-41.3	176.4	-174.7	179.2	1.4	0	0	111.5	M190 E191 W192 N197 A198	M190-Q194 PolarHBondContact O-N 2.03Å; E191-Q194 PolarHBondContact O-N 3.43Å; W192-Q194 VanDerWaalsContact C-N 3.31Å; W192-Q194 PolarHBondContact O-N 3.02Å; Q194-N197 PolarHBondContact O-N 2.97Å; Q194-A198 WeakPolarHBondContact O-CB 3Å; Q194-A198 PolarHBondContact O-N 3.41Å
195	Q	95.1	Very high	96.8	Very high	126 Å²	126	65.3 Å²	65.3	59%	0.589	32%	0.316	S	S	*	.	H	α-helix	trans	-65.3	-43	175.9	-68.9	170.7	11.6	0	0	111.9	E191 W192 Q193 N197 A198 E199	E191-Q195 WeakPolarHBondContact O-CG 2.98Å; E191-Q195 PolarHBondContact O-N 3.47Å; W192-Q195 WeakPolarHBondContact O-CB 3.41Å; W192-Q195 PolarHBondContact O-N 3.34Å; W192-Q195 VanDerWaalsContact O-N 3.16Å; Q193-Q195 VanDerWaalsContact C-N 3.32Å; Q193-Q195 PolarHBondContact O-N 2.83Å; Q195-N197 VanDerWaalsContact C-N 3.34Å; Q195-A198 PolarHBondContact O-N 2.99Å; Q195-E199 PolarHBondContact O-N 3.03Å
196	Q	94.4	Very high	96.8	Very high	69 Å²	69	63.4 Å²	63.4	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-60.3	-45.7	174.4	-66.4	-52	-61	0	0	111.2	W192 Q193 A198 E199 V200	W192-Q196 HydrophobicContact CD2-CG 4.05Å; W192-Q196 HydrophobicContact CE3-CG 4.32Å; W192-Q196 HydrophobicContact CH2-CG 3.84Å; W192-Q196 HydrophobicContact CZ2-CG 3.57Å; W192-Q196 HydrophobicContact CZ3-CG 4.21Å; W192-Q196 WeakPolarHBondContact O-CG 3.49Å; W192-Q196 PolarHBondContact O-N 2.95Å; Q193-Q196 PolarHBondContact O-N 3.43Å; Q196-A198 VanDerWaalsContact C-N 3.34Å; Q196-A198 PolarHBondContact O-N 2.82Å; Q196-E199 PolarHBondContact O-N 3.16Å; Q196-V200 WeakPolarHBondContact O-CB 3.28Å; Q196-V200 VanDerWaalsContact O-CG2 3.3Å; Q196-V200 WeakPolarHBondContact O-CG2 3.47Å; Q196-V200 PolarHBondContact O-N 3.35Å
197	N	95.8	Very high	96.8	Very high	88 Å²	88	64.8 Å²	64.8	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-41.5	177.7	-71.5	-8.3	0	0	0	111.8	Q193 Q194 Q195 V200 E201	Q193-N197 PolarHBondContact NE2-OD1 2.86Å; Q193-N197 WeakPolarHBondContact O-CB 3.34Å; Q193-N197 PolarHBondContact O-N 3.47Å; Q193-N197 PolarHBondContact O-OD1 2.93Å; Q194-N197 PolarHBondContact O-N 2.97Å; Q195-N197 VanDerWaalsContact C-N 3.34Å; N197-V200 PolarHBondContact O-N 3.35Å; N197-E201 WeakPolarHBondContact O-CB 3.4Å; N197-E201 PolarHBondContact O-N 2.86Å
198	A	94.9	Very high	96.8	Very high	44 Å²	44	63.6 Å²	63.6	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-65.1	-41.3	176.5	0	0	0	0	0	112.2	Q194 Q195 Q196 V200 E201 R202	Q194-A198 WeakPolarHBondContact O-CB 3Å; Q194-A198 PolarHBondContact O-N 3.41Å; Q195-A198 PolarHBondContact O-N 2.99Å; Q196-A198 VanDerWaalsContact C-N 3.34Å; Q196-A198 PolarHBondContact O-N 2.82Å; A198-V200 VanDerWaalsContact C-N 3.35Å; A198-E201 PolarHBondContact O-N 2.75Å; A198-R202 WeakPolarHBondContact O-CB 3.34Å; A198-R202 PolarHBondContact O-N 3.43Å
199	E	94.8	Very high	96.7	Very high	60 Å²	60	61.1 Å²	61.1	28%	0.28	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-39.7	174.4	-166.2	-167	-122.6	0	0	111.3	Q195 Q196 R202 F203 L238 R247	Q195-E199 PolarHBondContact O-N 3.03Å; Q196-E199 PolarHBondContact O-N 3.16Å; E199-R202 PolarHBondContact O-N 3.33Å; E199-F203 HydrophobicContact CG-CD2 4.12Å; E199-F203 WeakPolarHBondContact O-CA 3.47Å; E199-F203 WeakPolarHBondContact O-CB 3.44Å; E199-F203 PolarHBondContact O-N 3Å; E199-L238 HydrophobicContact CG-CD2 4.42Å; E199-R247 IonicContact OE2-CZ 3.76Å; E199-R247 IonicContact OE2-NH2 2.98Å; E199-R247 PolarHBondContact OE2-NH2 2.85Å
200	V	96.4	Very high	96.4	Very high	49 Å²	49	68.3 Å²	68.3	30%	0.297	34%	0.34	S	S	.	.	H	α-helix	trans	-69.2	-34.8	176.5	169.8	0	0	0	0	111.6	Q196 N197 A198 F203 P204 I227	Q196-V200 WeakPolarHBondContact O-CB 3.28Å; Q196-V200 VanDerWaalsContact O-CG2 3.3Å; Q196-V200 WeakPolarHBondContact O-CG2 3.47Å; Q196-V200 PolarHBondContact O-N 3.35Å; N197-V200 PolarHBondContact O-N 3.35Å; A198-V200 VanDerWaalsContact C-N 3.35Å; V200-F203 CarbonylContact O-C 3.48Å; V200-F203 VanDerWaalsContact O-C 3.26Å; V200-P204 WeakPolarHBondContact O-CA 3.37Å; V200-P204 WeakPolarHBondContact O-CB 3.27Å; V200-P204 WeakPolarHBondContact O-CD 3.48Å; V200-I227 HydrophobicContact CG1-CD1 3.5Å; V200-I227 WeakPolarHBondContact O-CD1 3.36Å
201	E	95.6	Very high	96.1	Very high	133 Å²	133	68.9 Å²	68.9	62%	0.621	34%	0.344	S	S	*	.	H	α-helix	trans	-68.6	-40.4	174.1	-165.3	173.4	-162	0	0	111.4	N197 A198	N197-E201 WeakPolarHBondContact O-CB 3.4Å; N197-E201 PolarHBondContact O-N 2.86Å; A198-E201 PolarHBondContact O-N 2.75Å
202	R	95.8	Very high	95.8	Very high	31 Å²	31	73.5 Å²	73.5	12%	0.117	37%	0.365	C	S	.	.	H	α-helix	trans	-68	-45.5	174.6	-173.6	174.5	-173.3	164.6	6.2	112.4	A198 E199 P204 Q258 E259 D273	A198-R202 WeakPolarHBondContact O-CB 3.34Å; A198-R202 PolarHBondContact O-N 3.43Å; E199-R202 PolarHBondContact O-N 3.33Å; R202-P204 WeakPolarHBondContact O-CD 3.36Å; R202-Q258 HydrophobicContact CG-CB 4.49Å; R202-Q258 PolarHBondContact O-NE2 3.26Å; R202-E259 IonicContact CZ-OE2 2.79Å; R202-E259 IonicContact NH1-OE2 3.97Å; R202-E259 PolarHBondContact NH1-OE2 2.87Å; R202-D273 IonicContact CZ-OD1 2.75Å; R202-D273 IonicContact NE-OD1 3.64Å; R202-D273 PolarHBondContact NE-OD1 2.76Å; R202-D273 VanDerWaalsContact NE-OD1 3.16Å; R202-D273 IonicContact NH2-OD1 3.35Å; R202-D273 PolarHBondContact NH2-OD1 3Å
203	F	97.5	Very high	95.3	Very high	1 Å²	1	74.4 Å²	74.4	0%	0.004	39%	0.394	C	S	.	.	S	Bend	trans	-127.4	69.7	-174.1	-60.3	-60.2	0	0	0	110.8	E199 V200 L238 R247 V249 A251 D273 Y276 L279	E199-F203 HydrophobicContact CG-CD2 4.12Å; E199-F203 WeakPolarHBondContact O-CA 3.47Å; E199-F203 WeakPolarHBondContact O-CB 3.44Å; E199-F203 PolarHBondContact O-N 3Å; V200-F203 CarbonylContact O-C 3.48Å; V200-F203 VanDerWaalsContact O-C 3.26Å; F203-L238 HydrophobicContact CB-CD2 4.14Å; F203-L238 HydrophobicContact CD2-CD2 4.17Å; F203-L238 HydrophobicContact CG-CD2 4.34Å; F203-R247 PolarHBondContact O-NH1 3.25Å; F203-V249 HydrophobicContact CB-CB 3.87Å; F203-V249 HydrophobicContact CB-CG1 4.04Å; F203-V249 HydrophobicContact CB-CG2 4.06Å; F203-V249 HydrophobicContact CD1-CG2 4.23Å; F203-V249 HydrophobicContact CG-CG2 4.43Å; F203-A251 HydrophobicContact CE1-CB 4.47Å; F203-D273 HydrophobicContact CE1-CB 3.7Å; F203-D273 HydrophobicContact CZ-CB 4.1Å; F203-Y276 AromaticContact CE2-CD1 3.93Å; F203-Y276 HydrophobicContact CE2-CD1 3.93Å; F203-Y276 AromaticContact CE2-CD2 3.95Å; F203-Y276 HydrophobicContact CE2-CD2 3.95Å; F203-Y276 AromaticContact CE2-CE1 3.91Å; F203-Y276 HydrophobicContact CE2-CE1 3.91Å; F203-Y276 AromaticContact CE2-CE2 3.95Å; F203-Y276 HydrophobicContact CE2-CE2 3.95Å; F203-Y276 AromaticContact CE2-CG 3.94Å; F203-Y276 HydrophobicContact CE2-CG 3.94Å; F203-Y276 AromaticContact CE2-CZ 3.93Å; F203-Y276 AromaticContact CZ-CD1 3.83Å; F203-Y276 HydrophobicContact CZ-CD1 3.83Å; F203-Y276 AromaticContact CZ-CD2 3.76Å; F203-Y276 HydrophobicContact CZ-CD2 3.76Å; F203-Y276 HydrophobicContact CZ-CE1 4.3Å; F203-Y276 HydrophobicContact CZ-CE2 4.24Å; F203-Y276 AromaticContact CZ-CG 3.52Å; F203-Y276 HydrophobicContact CZ-CG 3.52Å; F203-L279 HydrophobicContact CD1-CD2 4.47Å; F203-L279 HydrophobicContact CE1-CD1 3.84Å; F203-L279 HydrophobicContact CE1-CD2 4.4Å; F203-L279 HydrophobicContact CE1-CG 4.47Å; F203-L279 HydrophobicContact CZ-CD1 4.38Å
204	P	98.2	Very high	94.8	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-67.7	150.5	-178.1	28	-35.4	0	0	0	110.2	V200 R202 I227 V249 C250	V200-P204 WeakPolarHBondContact O-CA 3.37Å; V200-P204 WeakPolarHBondContact O-CB 3.27Å; V200-P204 WeakPolarHBondContact O-CD 3.48Å; R202-P204 WeakPolarHBondContact O-CD 3.36Å; P204-I227 HydrophobicContact CB-CB 4.18Å; P204-I227 HydrophobicContact CB-CD1 3.81Å; P204-V249 CarbonylContact O-C 3.54Å; P204-V249 VanDerWaalsContact O-CA 3.28Å; P204-V249 WeakPolarHBondContact O-CA 3.44Å; P204-C250 HydrophobicContact CG-CB 4.31Å; P204-C250 PolarHBondContact O-N 3.4Å
205	P	98.3	Very high	94.5	Very high	51 Å²	51	72.9 Å²	72.9	33%	0.331	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-62.8	145.2	-179.3	27.4	-33.8	0	0	0	110.3	S224 G225 C248	P205-S224 WeakPolarHBondContact O-CB 3.48Å; P205-G225 PolarHBondContact O-N 3.21Å; P205-C248 WeakPolarHBondContact CA-O 3.46Å
206	C	98.5	Very high	94.4	Very high	15 Å²	15	67.3 Å²	67.3	10%	0.101	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-61.4	150.8	172.4	-54.4	0	0	0	0	110.8	V218 C248 V249	C206-V218 HydrophobicContact CB-CB 3.92Å; C206-V218 HydrophobicContact CB-CG1 4.1Å; C206-C248 HydrophobicContact CB-CB 3.74Å; C206-C248 WeakPolarHBondContact CB-SG 3.47Å; C206-C248 PolarHBondContact N-O 3.12Å; C206-C248 WeakPolarHBondContact SG-CB 3.41Å; C206-C248 CovalentContact SG-SG 2.03Å; C206-C248 PolarHBondContact SG-SG 2.93Å; C206-V249 PolarHBondContact SG-N 3.13Å; C206-V249 PolarHBondContact SG-O 2.92Å; C206-V249 VanDerWaalsContact SG-O 3.39Å
207	N	98.4	Very high	94.5	Very high	36 Å²	36	68.5 Å²	68.5	19%	0.193	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	145.5	158	-56.2	-49.3	0	0	0	107.6	V218 W219 S221 S224	N207-V218 CarbonylContact O-C 3.6Å; N207-V218 WeakPolarHBondContact O-CA 3.01Å; N207-W219 HydrophobicContact CB-CD2 3.63Å; N207-W219 HydrophobicContact CB-CE3 4.03Å; N207-W219 HydrophobicContact CB-CG 4.2Å; N207-W219 HydrophobicContact CB-CH2 3.85Å; N207-W219 HydrophobicContact CB-CZ2 3.43Å; N207-W219 VanDerWaalsContact CB-CZ2 3.43Å; N207-W219 HydrophobicContact CB-CZ3 4.12Å; N207-W219 WeakPolarHBondContact CB-O 3.27Å; N207-W219 PolarHBondContact N-O 3.02Å; N207-W219 PolarHBondContact ND2-NE1 2.83Å; N207-W219 PolarHBondContact O-N 2.77Å; N207-S221 PolarHBondContact ND2-OG 2.98Å; N207-S224 PolarHBondContact ND2-OG 2.98Å; N207-S224 VanDerWaalsContact ND2-OG 3.14Å
208	S	95.9	Very high	94.6	Very high	90 Å²	90	64.5 Å²	64.5	63%	0.629	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	147.1	179.7	59	0	0	0	0	111.2	R217	S208-R217 CarbonylContact C-O 3.36Å; S208-R217 VanDerWaalsContact CA-O 3.28Å; S208-R217 WeakPolarHBondContact CA-O 3.05Å
209	E	95.7	Very high	94.7	Very high	81 Å²	81	65.9 Å²	65.9	38%	0.379	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.1	167.9	65.8	-173.2	170.5	0	0	108.6	G216 R217 W219	E209-G216 CarbonylContact O-C 3.53Å; E209-G216 VanDerWaalsContact O-CA 3.3Å; E209-G216 WeakPolarHBondContact O-CA 3.49Å; E209-R217 HydrophobicContact CG-CB 3.84Å; E209-R217 PolarHBondContact N-O 3.4Å; E209-R217 PolarHBondContact O-N 3.14Å; E209-R217 WeakPolarHBondContact OE1-CD 3.42Å; E209-R217 IonicContact OE1-NH1 2.86Å; E209-R217 PolarHBondContact OE1-NH1 2.77Å; E209-W219 HydrophobicContact CB-CH2 4.35Å; E209-W219 HydrophobicContact CB-CZ3 4.02Å; E209-W219 HydrophobicContact CG-CZ3 3.88Å
210	W	93.5	Very high	94.9	Very high	151 Å²	151	63.3 Å²	63.3	57%	0.572	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	127.2	175.2	-177.2	-92.8	0	0	0	109.2	G216	W210-G216 VanDerWaalsContact CE3-N 3.33Å
211	I	91.2	Very high	95	Very high	76 Å²	76	62.6 Å²	62.6	39%	0.39	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.8	176.6	-59.8	172	0	0	0	107.4	G213 Q214 G215	I211-G213 PolarHBondContact O-N 3.18Å; I211-G213 VanDerWaalsContact O-N 3.16Å; I211-Q214 HydrophobicContact CB-CB 4.01Å; I211-Q214 HydrophobicContact CB-CG 4.43Å; I211-Q214 HydrophobicContact CG2-CB 3.95Å; I211-Q214 HydrophobicContact CG2-CG 3.82Å; I211-Q214 PolarHBondContact O-N 2.8Å; I211-G215 PolarHBondContact N-O 3.29Å; I211-G215 PolarHBondContact O-N 2.78Å; I211-G215 VanDerWaalsContact O-N 3.16Å
212	Q	90.7	Very high	95.1	Very high	184 Å²	184	61.8 Å²	61.8	86%	0.86	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	122.7	180	-172.2	179.4	1.7	0	0	110.4	Q214	Q212-Q214 VanDerWaalsContact C-N 3.29Å; Q212-Q214 PolarHBondContact O-N 2.73Å
213	G	87.6	Confident	95.2	Very high	80 Å²	80	63.9 Å²	63.9	83%	0.825	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-5.8	-179	0	0	0	0	0	115.9	I211	I211-G213 PolarHBondContact O-N 3.18Å; I211-G213 VanDerWaalsContact O-N 3.16Å
214	Q	85.4	Confident	95.3	Very high	157 Å²	157	63.8 Å²	63.8	73%	0.734	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-9.6	174	-58.1	-177.9	11	0	0	113	I211 Q212	I211-Q214 HydrophobicContact CB-CB 4.01Å; I211-Q214 HydrophobicContact CB-CG 4.43Å; I211-Q214 HydrophobicContact CG2-CB 3.95Å; I211-Q214 HydrophobicContact CG2-CG 3.82Å; I211-Q214 PolarHBondContact O-N 2.8Å; Q212-Q214 VanDerWaalsContact C-N 3.29Å; Q212-Q214 PolarHBondContact O-N 2.73Å
215	G	90.6	Very high	95.1	Very high	8 Å²	8	65.8 Å²	65.8	8%	0.082	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89.5	-165.5	-177.9	0	0	0	0	0	112.8	I211	I211-G215 PolarHBondContact N-O 3.29Å; I211-G215 PolarHBondContact O-N 2.78Å; I211-G215 VanDerWaalsContact O-N 3.16Å
216	G	93.6	Very high	95	Very high	9 Å²	9	66.3 Å²	66.3	9%	0.093	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	164	-179.8	0	0	0	0	0	112.5	E209 W210 I294	E209-G216 CarbonylContact O-C 3.53Å; E209-G216 VanDerWaalsContact O-CA 3.3Å; E209-G216 WeakPolarHBondContact O-CA 3.49Å; W210-G216 VanDerWaalsContact CE3-N 3.33Å; G216-I294 PolarHBondContact N-O 2.95Å; G216-I294 PolarHBondContact O-N 2.8Å
217	R	95.9	Very high	94.9	Very high	94 Å²	94	67.5 Å²	67.5	36%	0.355	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	139	168.1	-177.9	-162.8	179.8	-156.2	-3.6	109.3	S208 E209 S291 C292	S208-R217 CarbonylContact C-O 3.36Å; S208-R217 VanDerWaalsContact CA-O 3.28Å; S208-R217 WeakPolarHBondContact CA-O 3.05Å; E209-R217 HydrophobicContact CG-CB 3.84Å; E209-R217 PolarHBondContact N-O 3.4Å; E209-R217 PolarHBondContact O-N 3.14Å; E209-R217 WeakPolarHBondContact OE1-CD 3.42Å; E209-R217 IonicContact OE1-NH1 2.86Å; E209-R217 PolarHBondContact OE1-NH1 2.77Å; R217-S291 PolarHBondContact NE-OG 3.47Å; R217-S291 PolarHBondContact NH2-OG 2.67Å; R217-C292 WeakPolarHBondContact CA-O 3.36Å; R217-C292 WeakPolarHBondContact CG-O 3.43Å
218	V	97.6	Very high	94.9	Very high	4 Å²	4	74.5 Å²	74.5	2%	0.024	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.8	172.1	-73	0	0	0	0	110.6	C206 N207 P235 C248 F282 S291 C292 I294	C206-V218 HydrophobicContact CB-CB 3.92Å; C206-V218 HydrophobicContact CB-CG1 4.1Å; N207-V218 CarbonylContact O-C 3.6Å; N207-V218 WeakPolarHBondContact O-CA 3.01Å; V218-P235 HydrophobicContact CG2-CB 4.1Å; V218-P235 HydrophobicContact CG2-CG 4.39Å; V218-C248 HydrophobicContact CG1-CB 4.31Å; V218-F282 HydrophobicContact CG2-CE1 4.38Å; V218-F282 HydrophobicContact CG2-CE2 4.35Å; V218-F282 HydrophobicContact CG2-CZ 4.15Å; V218-S291 CarbonylContact O-C 3.58Å; V218-S291 VanDerWaalsContact O-CA 3.23Å; V218-S291 WeakPolarHBondContact O-CA 3.44Å; V218-S291 PolarHBondContact O-OG 3.01Å; V218-C292 HydrophobicContact CG2-CB 4.02Å; V218-C292 PolarHBondContact N-O 3.49Å; V218-C292 PolarHBondContact O-N 2.75Å; V218-I294 HydrophobicContact CB-CD1 4.21Å; V218-I294 HydrophobicContact CG1-CD1 3.46Å; V218-I294 VanDerWaalsContact CG1-CD1 3.46Å; V218-I294 HydrophobicContact CG1-CG1 4.48Å; V218-I294 HydrophobicContact CG2-CD1 3.82Å; V218-I294 HydrophobicContact CG2-CG1 4.11Å
219	W	98.4	Very high	94.9	Very high	74 Å²	74	71.7 Å²	71.7	28%	0.28	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	157.4	174.1	71.8	100.5	0	0	0	112.8	N207 E209 V290	N207-W219 HydrophobicContact CB-CD2 3.63Å; N207-W219 HydrophobicContact CB-CE3 4.03Å; N207-W219 HydrophobicContact CB-CG 4.2Å; N207-W219 HydrophobicContact CB-CH2 3.85Å; N207-W219 HydrophobicContact CB-CZ2 3.43Å; N207-W219 VanDerWaalsContact CB-CZ2 3.43Å; N207-W219 HydrophobicContact CB-CZ3 4.12Å; N207-W219 WeakPolarHBondContact CB-O 3.27Å; N207-W219 PolarHBondContact N-O 3.02Å; N207-W219 PolarHBondContact ND2-NE1 2.83Å; N207-W219 PolarHBondContact O-N 2.77Å; E209-W219 HydrophobicContact CB-CH2 4.35Å; E209-W219 HydrophobicContact CB-CZ3 4.02Å; E209-W219 HydrophobicContact CG-CZ3 3.88Å; W219-V290 CarbonylContact C-O 3.53Å; W219-V290 WeakPolarHBondContact CA-O 3.42Å; W219-V290 WeakPolarHBondContact CB-O 3.38Å
220	C	98.7	Very high	94.9	Very high	6 Å²	6	73 Å²	73	4%	0.041	40%	0.399	C	S	.	.			trans	-104.4	143.2	175.6	-65.3	0	0	0	0	110.7	S224 V232 G233 C250 V290	C220-S224 WeakPolarHBondContact CA-OG 3.13Å; C220-V232 HydrophobicContact CB-CG1 4.19Å; C220-V232 WeakPolarHBondContact CB-O 3.42Å; C220-V232 VanDerWaalsContact O-CG1 3.28Å; C220-V232 WeakPolarHBondContact O-CG1 3.39Å; C220-G233 WeakPolarHBondContact CB-O 3.49Å; C220-C250 WeakPolarHBondContact CA-SG 3.05Å; C220-C250 HydrophobicContact CB-CB 3.82Å; C220-C250 WeakPolarHBondContact CB-SG 3.48Å; C220-C250 WeakPolarHBondContact SG-CA 3.35Å; C220-C250 WeakPolarHBondContact SG-CB 3.35Å; C220-C250 CovalentContact SG-SG 2.03Å; C220-C250 PolarHBondContact SG-SG 3.43Å; C220-V290 PolarHBondContact N-O 3Å
221	S	98.2	Very high	95	Very high	34 Å²	34	67.5 Å²	67.5	24%	0.238	38%	0.378	C	S	.	.			trans	-140.2	175.9	174	73.2	0	0	0	0	109.4	N207 N223 S224 R229	N207-S221 PolarHBondContact ND2-OG 2.98Å; S221-N223 PolarHBondContact O-N 2.89Å; S221-N223 VanDerWaalsContact O-N 3.1Å; S221-N223 VanDerWaalsContact OG-C 3.29Å; S221-N223 PolarHBondContact OG-N 3.43Å; S221-N223 VanDerWaalsContact OG-N 3.12Å; S221-S224 PolarHBondContact N-OG 3.09Å; S221-S224 PolarHBondContact OG-N 3.01Å; S221-R229 PolarHBondContact O-NE 2.94Å; S221-R229 PolarHBondContact O-NH2 2.86Å
222	Q	98.1	Very high	95.3	Very high	116 Å²	116	66.4 Å²	66.4	54%	0.542	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-6.1	169.6	-72.2	-179.8	-39.5	0	0	113.3	K228 R229 V232	Q222-K228 WeakPolarHBondContact O-CA 3.39Å; Q222-R229 WeakPolarHBondContact O-CG 3.23Å; Q222-R229 PolarHBondContact O-N 3.26Å; Q222-V232 HydrophobicContact CG-CG2 3.95Å
223	N	97.9	Very high	95.7	Very high	74 Å²	74	57.8 Å²	57.8	40%	0.396	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	51.9	-179.5	-169.3	42.2	0	0	0	111.6	S221 G226 I227 K228	S221-N223 PolarHBondContact O-N 2.89Å; S221-N223 VanDerWaalsContact O-N 3.1Å; S221-N223 VanDerWaalsContact OG-C 3.29Å; S221-N223 PolarHBondContact OG-N 3.43Å; S221-N223 VanDerWaalsContact OG-N 3.12Å; N223-G226 VanDerWaalsContact OD1-C 3.23Å; N223-G226 PolarHBondContact OD1-O 3.38Å; N223-I227 WeakPolarHBondContact CA-O 3.31Å; N223-K228 WeakPolarHBondContact OD1-CG 3.48Å
224	S	98.3	Very high	96.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	137.3	173.5	-64.8	0	0	0	0	110.3	P205 N207 C220 S221 G226 I227 R229	P205-S224 WeakPolarHBondContact O-CB 3.48Å; N207-S224 PolarHBondContact ND2-OG 2.98Å; N207-S224 VanDerWaalsContact ND2-OG 3.14Å; C220-S224 WeakPolarHBondContact CA-OG 3.13Å; S221-S224 PolarHBondContact N-OG 3.09Å; S221-S224 PolarHBondContact OG-N 3.01Å; S224-G226 PolarHBondContact O-N 3.07Å; S224-I227 PolarHBondContact O-N 3.44Å; S224-I227 VanDerWaalsContact O-N 3.13Å; S224-R229 PolarHBondContact OG-NH2 2.89Å
225	G	95.1	Very high	96.8	Very high	42 Å²	42	46.6 Å²	46.6	43%	0.433	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	16.9	-177.6	0	0	0	0	0	115	P205 I227	P205-G225 PolarHBondContact O-N 3.21Å; G225-I227 PolarHBondContact O-N 3.31Å
226	G	95.8	Very high	97.2	Very high	62 Å²	62	46.7 Å²	46.7	64%	0.639	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	7.1	-173.5	0	0	0	0	0	114.7	N223 S224	N223-G226 VanDerWaalsContact OD1-C 3.23Å; N223-G226 PolarHBondContact OD1-O 3.38Å; S224-G226 PolarHBondContact O-N 3.07Å
227	I	96.3	Very high	97.3	Very high	40 Å²	40	49.9 Å²	49.9	21%	0.205	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.7	-178.5	-67.3	166.5	0	0	0	109.6	V200 P204 N223 S224 G225	V200-I227 HydrophobicContact CG1-CD1 3.5Å; V200-I227 WeakPolarHBondContact O-CD1 3.36Å; P204-I227 HydrophobicContact CB-CB 4.18Å; P204-I227 HydrophobicContact CB-CD1 3.81Å; N223-I227 WeakPolarHBondContact CA-O 3.31Å; S224-I227 PolarHBondContact O-N 3.44Å; S224-I227 VanDerWaalsContact O-N 3.13Å; G225-I227 PolarHBondContact O-N 3.31Å
228	K	97.3	Very high	97.4	Very high	183 Å²	183	45.6 Å²	45.6	80%	0.796	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.9	-179.6	-68	-177.7	-177.9	176.3	0	111.2	Q222 N223	Q222-K228 WeakPolarHBondContact O-CA 3.39Å; N223-K228 WeakPolarHBondContact OD1-CG 3.48Å
229	R	96.3	Very high	97.3	Very high	31 Å²	31	48.2 Å²	48.2	12%	0.117	26%	0.264	C	S	.	.			trans	-149.7	158.9	-174.8	43.7	176.2	-169.9	-173.3	-1.6	111.5	S221 Q222 S224 W231 V232 C250	S221-R229 PolarHBondContact O-NE 2.94Å; S221-R229 PolarHBondContact O-NH2 2.86Å; Q222-R229 WeakPolarHBondContact O-CG 3.23Å; Q222-R229 PolarHBondContact O-N 3.26Å; S224-R229 PolarHBondContact OG-NH2 2.89Å; R229-W231 VanDerWaalsContact C-N 3.29Å; R229-W231 WeakPolarHBondContact CD-O 3.49Å; R229-W231 WeakPolarHBondContact CG-O 3.23Å; R229-W231 PolarHBondContact NE-O 2.97Å; R229-W231 PolarHBondContact O-N 2.93Å; R229-V232 PolarHBondContact NH2-O 3.37Å; R229-C250 VanDerWaalsContact NH1-CB 3.3Å; R229-C250 PolarHBondContact NH1-O 2.77Å; R229-C250 PolarHBondContact NH2-SG 3.44Å
230	S	96	Very high	97	Very high	108 Å²	108	48.7 Å²	48.7	76%	0.755	28%	0.275	S	S	*	.	S	Bend	trans	-77.1	-13.8	-179.8	56.6	0	0	0	0	113.9
231	W	96.4	Very high	96.6	Very high	36 Å²	36	53.3 Å²	53.3	14%	0.136	31%	0.305	C	S	.	.			trans	-118.9	153.7	-177.3	54.5	-90.8	0	0	0	111.2	R229 C250 K252 Q258	R229-W231 VanDerWaalsContact C-N 3.29Å; R229-W231 WeakPolarHBondContact CD-O 3.49Å; R229-W231 WeakPolarHBondContact CG-O 3.23Å; R229-W231 PolarHBondContact NE-O 2.97Å; R229-W231 PolarHBondContact O-N 2.93Å; W231-C250 WeakPolarHBondContact CH2-O 3.42Å; W231-K252 HydrophobicContact CD2-CB 3.98Å; W231-K252 HydrophobicContact CD2-CD 4.37Å; W231-K252 HydrophobicContact CD2-CG 3.84Å; W231-K252 HydrophobicContact CE3-CB 3.86Å; W231-K252 HydrophobicContact CE3-CG 4.09Å; W231-K252 HydrophobicContact CG-CD 4.4Å; W231-K252 HydrophobicContact CG-CG 4.08Å; W231-K252 HydrophobicContact CH2-CB 3.87Å; W231-K252 HydrophobicContact CZ2-CB 4.07Å; W231-K252 VanDerWaalsContact CZ3-CA 3.45Å; W231-K252 HydrophobicContact CZ3-CB 3.77Å; W231-K252 HydrophobicContact CZ3-CG 4.5Å; W231-K252 VanDerWaalsContact CZ3-N 3.3Å; W231-Q258 VanDerWaalsContact CZ2-NE2 3.29Å; W231-Q258 VanDerWaalsContact CZ2-OE1 3.31Å
232	V	98	Very high	96.3	Very high	52 Å²	52	56.3 Å²	56.3	32%	0.315	34%	0.341	S	S	.	.			trans	-88	-52.7	179.7	173.9	0	0	0	0	110.8	C220 Q222 R229 V290	C220-V232 HydrophobicContact CB-CG1 4.19Å; C220-V232 WeakPolarHBondContact CB-O 3.42Å; C220-V232 VanDerWaalsContact O-CG1 3.28Å; C220-V232 WeakPolarHBondContact O-CG1 3.39Å; Q222-V232 HydrophobicContact CG-CG2 3.95Å; R229-V232 PolarHBondContact NH2-O 3.37Å; V232-V290 HydrophobicContact CG1-CB 4.12Å; V232-V290 HydrophobicContact CG1-CG1 3.79Å
233	G	97.6	Very high	96	Very high	4 Å²	4	52.9 Å²	52.9	4%	0.041	33%	0.331	C	S	.	.			trans	77.9	-177.9	-177	0	0	0	0	0	113.1	C220 A251	C220-G233 WeakPolarHBondContact CB-O 3.49Å; G233-A251 CarbonylContact C-O 3.3Å; G233-A251 WeakPolarHBondContact CA-O 3.16Å
234	V	98.4	Very high	95.6	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.3	-176.4	-64	0	0	0	0	110.7	R236 A251 L274	V234-R236 PolarHBondContact O-N 2.94Å; V234-A251 PolarHBondContact N-O 3.46Å; V234-A251 PolarHBondContact O-N 3.24Å; V234-L274 HydrophobicContact CG2-CD2 3.6Å
235	P	98.5	Very high	95.3	Very high	0 Å²	0	68 Å²	68	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	132.2	175.3	-23.5	35.4	0	0	0	111.7	V218 V249 F282 A289	V218-P235 HydrophobicContact CG2-CB 4.1Å; V218-P235 HydrophobicContact CG2-CG 4.39Å; P235-V249 CarbonylContact C-O 3.35Å; P235-V249 WeakPolarHBondContact CA-O 3.42Å; P235-F282 HydrophobicContact CB-CD2 3.8Å; P235-F282 HydrophobicContact CB-CE2 3.77Å; P235-A289 WeakPolarHBondContact CD-O 3.45Å
236	R	98	Very high	95.3	Very high	10 Å²	10	68 Å²	68	4%	0.038	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.7	172.1	-69	-64.8	-177.5	-90.2	6.1	110	V234 C248 V249 A251 L279 S280 E281 P287	V234-R236 PolarHBondContact O-N 2.94Å; R236-C248 CarbonylContact O-C 3.55Å; R236-C248 WeakPolarHBondContact O-CA 3.41Å; R236-V249 HydrophobicContact CB-CG2 4.16Å; R236-V249 PolarHBondContact N-O 2.88Å; R236-V249 PolarHBondContact O-N 3.28Å; R236-A251 HydrophobicContact CB-CB 4.33Å; R236-A251 HydrophobicContact CG-CB 3.79Å; R236-L279 HydrophobicContact CB-CB 4.38Å; R236-L279 HydrophobicContact CB-CD1 4.42Å; R236-L279 HydrophobicContact CB-CD2 3.86Å; R236-L279 HydrophobicContact CB-CG 4.44Å; R236-L279 HydrophobicContact CG-CD1 4.34Å; R236-S280 CarbonylContact C-O 3.52Å; R236-S280 WeakPolarHBondContact CA-O 3.45Å; R236-S280 VanDerWaalsContact CD-O 3.27Å; R236-S280 WeakPolarHBondContact CD-O 3.33Å; R236-E281 IonicContact NH2-OE1 3.19Å; R236-P287 PolarHBondContact NH1-O 3.4Å; R236-P287 PolarHBondContact NH2-O 3.01Å
237	R	97.3	Very high	95.3	Very high	76 Å²	76	68.5 Å²	68.5	29%	0.287	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.4	170.6	-62.7	175.1	60.6	-161.7	1.7	107.8	F239 S246 L279 S280 F282	R237-F239 HydrophobicContact CB-CE2 4.1Å; R237-S246 PolarHBondContact NE-OG 3.4Å; R237-S246 VanDerWaalsContact NE-OG 3.08Å; R237-S246 PolarHBondContact NH2-OG 2.96Å; R237-L279 CarbonylContact O-C 3.53Å; R237-L279 WeakPolarHBondContact O-CA 3.46Å; R237-S280 PolarHBondContact N-O 3.07Å; R237-S280 PolarHBondContact O-N 3.25Å; R237-F282 HydrophobicContact CG-CD1 4.25Å; R237-F282 HydrophobicContact CG-CD2 4.19Å; R237-F282 HydrophobicContact CG-CE1 3.98Å; R237-F282 HydrophobicContact CG-CE2 3.91Å; R237-F282 HydrophobicContact CG-CG 4.34Å; R237-F282 HydrophobicContact CG-CZ 3.78Å
238	L	97.3	Very high	95.3	Very high	3 Å²	3	68 Å²	68	2%	0.016	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.4	174.2	179.5	64.1	0	0	0	109.4	E199 F203 S246 R247 V249 Y276 N278 L279	E199-L238 HydrophobicContact CG-CD2 4.42Å; F203-L238 HydrophobicContact CB-CD2 4.14Å; F203-L238 HydrophobicContact CD2-CD2 4.17Å; F203-L238 HydrophobicContact CG-CD2 4.34Å; L238-S246 CarbonylContact O-C 3.6Å; L238-S246 WeakPolarHBondContact O-CA 3.2Å; L238-R247 HydrophobicContact CB-CG 4.39Å; L238-R247 PolarHBondContact N-O 3.37Å; L238-R247 PolarHBondContact O-N 3.15Å; L238-V249 HydrophobicContact CB-CB 4.45Å; L238-V249 HydrophobicContact CB-CG1 3.68Å; L238-V249 HydrophobicContact CB-CG2 3.85Å; L238-V249 HydrophobicContact CD2-CG1 3.96Å; L238-V249 HydrophobicContact CG-CG1 4.5Å; L238-Y276 HydrophobicContact CD1-CD1 4.06Å; L238-Y276 HydrophobicContact CD1-CE1 3.76Å; L238-N278 WeakPolarHBondContact CA-O 3.28Å; L238-N278 HydrophobicContact CD1-CB 3.96Å; L238-L279 HydrophobicContact CB-CD2 3.92Å; L238-L279 HydrophobicContact CD1-CD2 3.76Å; L238-L279 HydrophobicContact CD1-CG 4.49Å; L238-L279 HydrophobicContact CG-CD2 4.4Å
239	F	95.9	Very high	95.4	Very high	60 Å²	60	59.2 Å²	59.2	26%	0.263	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.1	178.5	-68.9	-91.6	0	0	0	111.4	R237 N278 S280	R237-F239 HydrophobicContact CB-CE2 4.1Å; F239-N278 PolarHBondContact N-O 2.79Å; F239-N278 WeakPolarHBondContact O-CB 3.47Å; F239-S280 WeakPolarHBondContact CE2-OG 3.28Å
240	T	92.5	Very high	95.5	Very high	83 Å²	83	57.8 Å²	57.8	51%	0.509	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-76.4	129.6	172	-54.3	0	0	0	0	109.4	G242 S243	T240-G242 PolarHBondContact O-N 3.04Å; T240-S243 PolarHBondContact O-N 3.2Å
241	P	90.3	Very high	95.6	Very high	103 Å²	103	52.6 Å²	52.6	67%	0.669	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	128.4	176.2	-28.3	35.5	0	0	0	112.3	S243	P241-S243 VanDerWaalsContact C-N 3.27Å; P241-S243 PolarHBondContact O-N 3.05Å
242	G	91.1	Very high	95.7	Very high	97 Å²	97	52.7 Å²	52.7	100%	1	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-5.5	-178.7	0	0	0	0	0	115.6	T240	T240-G242 PolarHBondContact O-N 3.04Å
243	S	91.4	Very high	95.6	Very high	45 Å²	45	51.5 Å²	51.5	32%	0.315	28%	0.28	S	S	.	.			trans	-108.9	150.1	173.2	-172.1	0	0	0	0	111.3	T240 P241 Q245	T240-S243 PolarHBondContact O-N 3.2Å; P241-S243 VanDerWaalsContact C-N 3.27Å; P241-S243 PolarHBondContact O-N 3.05Å; S243-Q245 VanDerWaalsContact C-N 3.3Å; S243-Q245 WeakPolarHBondContact OG-CB 3.29Å; S243-Q245 PolarHBondContact OG-N 3.19Å
244	R	89.1	Confident	95.4	Very high	237 Å²	237	56.7 Å²	56.7	89%	0.894	31%	0.306	S	S	*	.	S	Bend	trans	-85.7	-8.6	166.7	-66	-176.7	-178.2	152.5	1	112.4
245	Q	92.1	Very high	95.1	Very high	154 Å²	154	57.3 Å²	57.3	72%	0.72	31%	0.313	S	S	*	.			trans	-75.7	141.1	178.9	-62.6	174.9	-9.5	0	0	109.6	S243	S243-Q245 VanDerWaalsContact C-N 3.3Å; S243-Q245 WeakPolarHBondContact OG-CB 3.29Å; S243-Q245 PolarHBondContact OG-N 3.19Å
246	S	95	Very high	94.7	Very high	41 Å²	41	61.3 Å²	61.3	29%	0.287	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.8	173.3	61.5	0	0	0	0	109.5	R237 L238	R237-S246 PolarHBondContact NE-OG 3.4Å; R237-S246 VanDerWaalsContact NE-OG 3.08Å; R237-S246 PolarHBondContact NH2-OG 2.96Å; L238-S246 CarbonylContact O-C 3.6Å; L238-S246 WeakPolarHBondContact O-CA 3.2Å
247	R	96.1	Very high	94.4	Very high	74 Å²	74	62.9 Å²	62.9	28%	0.279	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	151	168.7	64.5	179.4	178.9	95	-2.6	111	E199 F203 L238 V249	E199-R247 IonicContact OE2-CZ 3.76Å; E199-R247 IonicContact OE2-NH2 2.98Å; E199-R247 PolarHBondContact OE2-NH2 2.85Å; F203-R247 PolarHBondContact O-NH1 3.25Å; L238-R247 HydrophobicContact CB-CG 4.39Å; L238-R247 PolarHBondContact N-O 3.37Å; L238-R247 PolarHBondContact O-N 3.15Å; R247-V249 HydrophobicContact CG-CG1 3.94Å
248	C	97.8	Very high	94	Very high	28 Å²	28	62.8 Å²	62.8	19%	0.189	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.1	170.9	-167.4	0	0	0	0	109.9	P205 C206 V218 R236 F282	P205-C248 WeakPolarHBondContact CA-O 3.46Å; C206-C248 HydrophobicContact CB-CB 3.74Å; C206-C248 WeakPolarHBondContact CB-SG 3.47Å; C206-C248 PolarHBondContact N-O 3.12Å; C206-C248 WeakPolarHBondContact SG-CB 3.41Å; C206-C248 CovalentContact SG-SG 2.03Å; C206-C248 PolarHBondContact SG-SG 2.93Å; V218-C248 HydrophobicContact CG1-CB 4.31Å; R236-C248 CarbonylContact O-C 3.55Å; R236-C248 WeakPolarHBondContact O-CA 3.41Å; C248-F282 HydrophobicContact CB-CE2 4.33Å; C248-F282 HydrophobicContact CB-CZ 3.81Å; C248-F282 WeakPolarHBondContact SG-CE2 3.35Å; C248-F282 WeakPolarHBondContact SG-CZ 3.34Å
249	V	98.6	Very high	93.4	Very high	0 Å²	0	68 Å²	68	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.2	174.7	-53.5	0	0	0	0	111.4	F203 P204 C206 P235 R236 L238 R247 L279	F203-V249 HydrophobicContact CB-CB 3.87Å; F203-V249 HydrophobicContact CB-CG1 4.04Å; F203-V249 HydrophobicContact CB-CG2 4.06Å; F203-V249 HydrophobicContact CD1-CG2 4.23Å; F203-V249 HydrophobicContact CG-CG2 4.43Å; P204-V249 CarbonylContact O-C 3.54Å; P204-V249 VanDerWaalsContact O-CA 3.28Å; P204-V249 WeakPolarHBondContact O-CA 3.44Å; C206-V249 PolarHBondContact SG-N 3.13Å; C206-V249 PolarHBondContact SG-O 2.92Å; C206-V249 VanDerWaalsContact SG-O 3.39Å; P235-V249 CarbonylContact C-O 3.35Å; P235-V249 WeakPolarHBondContact CA-O 3.42Å; R236-V249 HydrophobicContact CB-CG2 4.16Å; R236-V249 PolarHBondContact N-O 2.88Å; R236-V249 PolarHBondContact O-N 3.28Å; L238-V249 HydrophobicContact CB-CB 4.45Å; L238-V249 HydrophobicContact CB-CG1 3.68Å; L238-V249 HydrophobicContact CB-CG2 3.85Å; L238-V249 HydrophobicContact CD2-CG1 3.96Å; L238-V249 HydrophobicContact CG-CG1 4.5Å; R247-V249 HydrophobicContact CG-CG1 3.94Å; V249-L279 HydrophobicContact CG2-CD2 3.66Å
250	C	98.5	Very high	92	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	106.3	171.2	-69	0	0	0	0	110.9	P204 C220 R229 W231	P204-C250 HydrophobicContact CG-CB 4.31Å; P204-C250 PolarHBondContact O-N 3.4Å; C220-C250 WeakPolarHBondContact CA-SG 3.05Å; C220-C250 HydrophobicContact CB-CB 3.82Å; C220-C250 WeakPolarHBondContact CB-SG 3.48Å; C220-C250 WeakPolarHBondContact SG-CA 3.35Å; C220-C250 WeakPolarHBondContact SG-CB 3.35Å; C220-C250 CovalentContact SG-SG 2.03Å; C220-C250 PolarHBondContact SG-SG 3.43Å; R229-C250 VanDerWaalsContact NH1-CB 3.3Å; R229-C250 PolarHBondContact NH1-O 2.77Å; R229-C250 PolarHBondContact NH2-SG 3.44Å; W231-C250 WeakPolarHBondContact CH2-O 3.42Å
251	A	98.1	Very high	90.2	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.5	177.9	0	0	0	0	0	111.1	F203 G233 V234 R236 S253 L274 L279	F203-A251 HydrophobicContact CE1-CB 4.47Å; G233-A251 CarbonylContact C-O 3.3Å; G233-A251 WeakPolarHBondContact CA-O 3.16Å; V234-A251 PolarHBondContact N-O 3.46Å; V234-A251 PolarHBondContact O-N 3.24Å; R236-A251 HydrophobicContact CB-CB 4.33Å; R236-A251 HydrophobicContact CG-CB 3.79Å; A251-S253 PolarHBondContact O-N 2.83Å; A251-L274 HydrophobicContact CB-CD2 4.07Å; A251-L279 HydrophobicContact CB-CD1 3.76Å
252	K	97.4	Very high	88.3	Confident	38 Å²	38	74 Å²	74	17%	0.165	41%	0.411	C	S	.	.			trans	-63.8	130	173.1	-171.5	-178.1	179.6	-163.7	0	108.7	W231 N254 P256 Q258 G272 D273	W231-K252 HydrophobicContact CD2-CB 3.98Å; W231-K252 HydrophobicContact CD2-CD 4.37Å; W231-K252 HydrophobicContact CD2-CG 3.84Å; W231-K252 HydrophobicContact CE3-CB 3.86Å; W231-K252 HydrophobicContact CE3-CG 4.09Å; W231-K252 HydrophobicContact CG-CD 4.4Å; W231-K252 HydrophobicContact CG-CG 4.08Å; W231-K252 HydrophobicContact CH2-CB 3.87Å; W231-K252 HydrophobicContact CZ2-CB 4.07Å; W231-K252 VanDerWaalsContact CZ3-CA 3.45Å; W231-K252 HydrophobicContact CZ3-CB 3.77Å; W231-K252 HydrophobicContact CZ3-CG 4.5Å; W231-K252 VanDerWaalsContact CZ3-N 3.3Å; K252-N254 WeakPolarHBondContact CE-O 3.26Å; K252-P256 PolarHBondContact NZ-O 2.89Å; K252-Q258 HydrophobicContact CD-CG 3.79Å; K252-G272 CarbonylContact O-C 3.58Å; K252-G272 WeakPolarHBondContact O-CA 3.2Å; K252-D273 WeakPolarHBondContact CB-OD2 3.43Å; K252-D273 PolarHBondContact O-N 3.45Å
253	S	96	Very high	86.4	Confident	27 Å²	27	72.2 Å²	72.2	19%	0.189	39%	0.387	C	S	.	.			trans	-111.6	-1.4	-170.7	63	0	0	0	0	115.2	A251	A251-S253 PolarHBondContact O-N 2.83Å
254	N	93.9	Very high	84.4	Confident	113 Å²	113	71.9 Å²	71.9	60%	0.604	39%	0.387	S	S	*	.	S	Bend	trans	-144.8	156.3	-176.3	-56.4	-60.6	0	0	0	110.3	K252 D270	K252-N254 WeakPolarHBondContact CE-O 3.26Å; N254-D270 CarbonylContact C-O 3.35Å; N254-D270 WeakPolarHBondContact CA-O 3.09Å
255	G	91.9	Very high	82.6	Confident	15 Å²	15	69.8 Å²	69.8	16%	0.155	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	71.1	-172.2	-179.5	0	0	0	0	0	113.3	T269 D270 G272	G255-T269 CarbonylContact C-O 3.44Å; G255-D270 WeakPolarHBondContact CA-OD1 3.41Å; G255-D270 PolarHBondContact N-O 3.08Å; G255-D270 PolarHBondContact N-OD1 2.96Å; G255-D270 CarbonylContact O-C 3.11Å; G255-D270 VanDerWaalsContact O-C 3.3Å; G255-G272 WeakPolarHBondContact O-CA 3.49Å; G255-G272 PolarHBondContact O-N 3.41Å
256	P	90.9	Very high	80.8	Confident	83 Å²	83	67.6 Å²	67.6	54%	0.539	39%	0.389	S	S	.	.	S	Bend	trans	-63.2	148.8	179	24.3	-33.2	0	0	0	112.5	K252 T269	K252-P256 PolarHBondContact NZ-O 2.89Å; P256-T269 WeakPolarHBondContact CA-O 3.21Å; P256-T269 VanDerWaalsContact N-O 3.16Å
257	P	90.9	Very high	79.1	Confident	43 Å²	43	69.9 Å²	69.9	28%	0.279	40%	0.398	S	S	.	.			trans	-51.3	150.3	166.9	-19.9	27.1	0	0	0	111.4	E259 G272	P257-E259 VanDerWaalsContact C-N 3.33Å; P257-E259 PolarHBondContact O-N 3.11Å; P257-G272 WeakPolarHBondContact CA-O 3.3Å; P257-G272 WeakPolarHBondContact CB-O 3.34Å; P257-G272 VanDerWaalsContact CG-O 3.26Å; P257-G272 WeakPolarHBondContact CG-O 3.35Å
258	Q	90.4	Very high	77.6	Confident	74 Å²	74	71.2 Å²	71.2	35%	0.346	41%	0.411	S	S	.	.	S	Bend	trans	-69.2	-32.4	-177.3	-71.5	-178.4	100.1	0	0	112.8	R202 W231 K252 D273	R202-Q258 HydrophobicContact CG-CB 4.49Å; R202-Q258 PolarHBondContact O-NE2 3.26Å; W231-Q258 VanDerWaalsContact CZ2-NE2 3.29Å; W231-Q258 VanDerWaalsContact CZ2-OE1 3.31Å; K252-Q258 HydrophobicContact CD-CG 3.79Å; Q258-D273 VanDerWaalsContact CG-OD2 3.29Å; Q258-D273 WeakPolarHBondContact CG-OD2 3.36Å; Q258-D273 PolarHBondContact N-OD1 3.36Å; Q258-D273 VanDerWaalsContact N-OD1 3.14Å; Q258-D273 PolarHBondContact NE2-OD2 3Å
259	E	83.8	Confident	76.4	Confident	113 Å²	113	74.1 Å²	74.1	53%	0.528	43%	0.428	S	S	.	.	S	Bend	trans	-112	138.1	169.9	-67.3	-174.8	158.6	0	0	110.8	R202 P257 S261	R202-E259 IonicContact CZ-OE2 2.79Å; R202-E259 IonicContact NH1-OE2 3.97Å; R202-E259 PolarHBondContact NH1-OE2 2.87Å; P257-E259 VanDerWaalsContact C-N 3.33Å; P257-E259 PolarHBondContact O-N 3.11Å; E259-S261 PolarHBondContact O-N 3.29Å
260	S	65.8	Low	75.9	Confident	117 Å²	117	78.9 Å²	78.9	82%	0.818	45%	0.453	S	S	*	.			trans	-68.3	92.9	167.3	57.7	0	0	0	0	109.2
261	S	54.2	Low	75.6	Confident	58 Å²	58	84 Å²	84	41%	0.406	47%	0.472	S	S	.	.			trans	-67.6	142.8	164.3	76.3	0	0	0	0	108.5	E259 A263 A264	E259-S261 PolarHBondContact O-N 3.29Å; S261-A263 PolarHBondContact O-N 3.4Å; S261-A263 VanDerWaalsContact O-N 3.07Å; S261-A263 PolarHBondContact OG-N 3.48Å; S261-A264 WeakPolarHBondContact O-CB 3.41Å; S261-A264 PolarHBondContact O-N 3.38Å; S261-A264 PolarHBondContact OG-N 3.03Å
262	Q	51.9	Low	75.5	Confident	196 Å²	196	84.2 Å²	84.2	92%	0.916	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-59	-16.7	169.6	-69.2	177.2	-11.6	0	0	112	A264	Q262-A264 VanDerWaalsContact C-N 3.3Å
263	A	50	Low	75.3	Confident	61 Å²	61	82.6 Å²	82.6	50%	0.504	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-80.8	-2	173.6	0	0	0	0	0	114	S261 E265	S261-A263 PolarHBondContact O-N 3.4Å; S261-A263 VanDerWaalsContact O-N 3.07Å; S261-A263 PolarHBondContact OG-N 3.48Å; A263-E265 PolarHBondContact O-N 2.94Å; A263-E265 VanDerWaalsContact O-N 3.15Å
264	A	50.2	Low	75.3	Confident	38 Å²	38	82.9 Å²	82.9	31%	0.314	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-72.5	0.8	-179.5	0	0	0	0	0	114.2	S261 Q262 S266	S261-A264 WeakPolarHBondContact O-CB 3.41Å; S261-A264 PolarHBondContact O-N 3.38Å; S261-A264 PolarHBondContact OG-N 3.03Å; Q262-A264 VanDerWaalsContact C-N 3.3Å; A264-S266 VanDerWaalsContact C-N 3.25Å; A264-S266 PolarHBondContact O-N 3.2Å
265	E	52.1	Low	75.2	Confident	192 Å²	192	80.6 Å²	80.6	90%	0.897	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-72.8	-13.7	178.7	-66.8	-175.8	167.8	0	0	113.5	A263	A263-E265 PolarHBondContact O-N 2.94Å; A263-E265 VanDerWaalsContact O-N 3.15Å
266	S	53.9	Low	75.3	Confident	109 Å²	109	82.9 Å²	82.9	76%	0.762	46%	0.459	S	S	*	.	S	Bend	trans	-132.2	3.1	-174.2	67.5	0	0	0	0	117.1	A264	A264-S266 VanDerWaalsContact C-N 3.25Å; A264-S266 PolarHBondContact O-N 3.2Å
267	L	57.8	Low	75.4	Confident	89 Å²	89	84.5 Å²	84.5	47%	0.466	47%	0.469	S	S	.	.	S	Bend	trans	-108.7	144.1	-177	-74.8	157.3	0	0	0	111.5	T269	L267-T269 WeakPolarHBondContact O-CG2 3.33Å; L267-T269 PolarHBondContact O-N 3Å
268	D	65.1	Low	75.6	Confident	102 Å²	102	85.1 Å²	85.1	55%	0.545	47%	0.47	S	S	.	.			trans	-48.5	107.6	171.9	176.7	9.1	0	0	0	109.8	D270 R271	D268-D270 PolarHBondContact O-N 3.39Å; D268-D270 VanDerWaalsContact O-N 3.12Å; D268-D270 PolarHBondContact OD1-N 3.03Å; D268-R271 HydrophobicContact CB-CG 4.4Å
269	T	72.1	Confident	75.8	Confident	89 Å²	89	82.8 Å²	82.8	55%	0.546	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	4.6	-170.8	57.3	0	0	0	0	112.8	G255 P256 L267	G255-T269 CarbonylContact C-O 3.44Å; P256-T269 WeakPolarHBondContact CA-O 3.21Å; P256-T269 VanDerWaalsContact N-O 3.16Å; L267-T269 WeakPolarHBondContact O-CG2 3.33Å; L267-T269 PolarHBondContact O-N 3Å
270	D	89.4	Confident	76.4	Confident	100 Å²	100	79.2 Å²	79.2	54%	0.535	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	4.9	179.9	-159.1	33	0	0	0	114	N254 G255 D268	N254-D270 CarbonylContact C-O 3.35Å; N254-D270 WeakPolarHBondContact CA-O 3.09Å; G255-D270 WeakPolarHBondContact CA-OD1 3.41Å; G255-D270 PolarHBondContact N-O 3.08Å; G255-D270 PolarHBondContact N-OD1 2.96Å; G255-D270 CarbonylContact O-C 3.11Å; G255-D270 VanDerWaalsContact O-C 3.3Å; D268-D270 PolarHBondContact O-N 3.39Å; D268-D270 VanDerWaalsContact O-N 3.12Å; D268-D270 PolarHBondContact OD1-N 3.03Å
271	R	92.9	Very high	77.9	Confident	108 Å²	108	78.3 Å²	78.3	41%	0.408	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-92.4	8.8	-177.6	-69.2	174.3	56.6	105.2	1.3	115.1	D268 D273 L274 D275	D268-R271 HydrophobicContact CB-CG 4.4Å; R271-D273 PolarHBondContact O-N 2.94Å; R271-L274 WeakPolarHBondContact O-CB 3.1Å; R271-L274 VanDerWaalsContact O-CG 3.23Å; R271-L274 WeakPolarHBondContact O-CG 3.46Å; R271-L274 PolarHBondContact O-N 3.27Å; R271-D275 IonicContact CZ-OD1 3.09Å; R271-D275 IonicContact NE-OD1 4Å; R271-D275 PolarHBondContact NE-OD1 3.45Å; R271-D275 VanDerWaalsContact NE-OD1 3.09Å; R271-D275 IonicContact NE-OD2 3.86Å; R271-D275 PolarHBondContact NE-OD2 3.29Å; R271-D275 IonicContact NH2-OD1 3.21Å; R271-D275 PolarHBondContact NH2-OD1 3.21Å
272	G	94	Very high	79.8	Confident	4 Å²	4	76.8 Å²	76.8	4%	0.041	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	-129.8	-178	0	0	0	0	0	112.1	K252 G255 P257	K252-G272 CarbonylContact O-C 3.58Å; K252-G272 WeakPolarHBondContact O-CA 3.2Å; G255-G272 WeakPolarHBondContact O-CA 3.49Å; G255-G272 PolarHBondContact O-N 3.41Å; P257-G272 WeakPolarHBondContact CA-O 3.3Å; P257-G272 WeakPolarHBondContact CB-O 3.34Å; P257-G272 VanDerWaalsContact CG-O 3.26Å; P257-G272 WeakPolarHBondContact CG-O 3.35Å
273	D	95	Very high	81.7	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.016	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	12.7	179.8	-63.3	-64.8	0	0	0	113	R202 F203 K252 Q258 R271 D275 Y276 L279	R202-D273 IonicContact CZ-OD1 2.75Å; R202-D273 IonicContact NE-OD1 3.64Å; R202-D273 PolarHBondContact NE-OD1 2.76Å; R202-D273 VanDerWaalsContact NE-OD1 3.16Å; R202-D273 IonicContact NH2-OD1 3.35Å; R202-D273 PolarHBondContact NH2-OD1 3Å; F203-D273 HydrophobicContact CE1-CB 3.7Å; F203-D273 HydrophobicContact CZ-CB 4.1Å; K252-D273 WeakPolarHBondContact CB-OD2 3.43Å; K252-D273 PolarHBondContact O-N 3.45Å; Q258-D273 VanDerWaalsContact CG-OD2 3.29Å; Q258-D273 WeakPolarHBondContact CG-OD2 3.36Å; Q258-D273 PolarHBondContact N-OD1 3.36Å; Q258-D273 VanDerWaalsContact N-OD1 3.14Å; Q258-D273 PolarHBondContact NE2-OD2 3Å; R271-D273 PolarHBondContact O-N 2.94Å; D273-D275 PolarHBondContact O-N 2.88Å; D273-Y276 VanDerWaalsContact O-CB 3.31Å; D273-Y276 WeakPolarHBondContact O-CB 3.46Å; D273-Y276 PolarHBondContact O-N 3.38Å; D273-Y276 VanDerWaalsContact O-N 3.13Å; D273-L279 VanDerWaalsContact O-CD1 3.23Å; D273-L279 WeakPolarHBondContact O-CD1 3.46Å
274	L	95.1	Very high	83.7	Confident	34 Å²	34	75.8 Å²	75.8	18%	0.178	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.3	-175.3	-65	-178.7	0	0	0	114	V234 A251 R271 Y276	V234-L274 HydrophobicContact CG2-CD2 3.6Å; A251-L274 HydrophobicContact CB-CD2 4.07Å; R271-L274 WeakPolarHBondContact O-CB 3.1Å; R271-L274 VanDerWaalsContact O-CG 3.23Å; R271-L274 WeakPolarHBondContact O-CG 3.46Å; R271-L274 PolarHBondContact O-N 3.27Å; L274-Y276 VanDerWaalsContact C-N 3.3Å
275	D	92.2	Very high	85.8	Confident	64 Å²	64	75.1 Å²	75.1	34%	0.342	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	14.4	-179	-52.2	-40.2	0	0	0	112.2	R271 D273	R271-D275 IonicContact CZ-OD1 3.09Å; R271-D275 IonicContact NE-OD1 4Å; R271-D275 PolarHBondContact NE-OD1 3.45Å; R271-D275 VanDerWaalsContact NE-OD1 3.09Å; R271-D275 IonicContact NE-OD2 3.86Å; R271-D275 PolarHBondContact NE-OD2 3.29Å; R271-D275 IonicContact NH2-OD1 3.21Å; R271-D275 PolarHBondContact NH2-OD1 3.21Å; D273-D275 PolarHBondContact O-N 2.88Å
276	Y	93.3	Very high	87.9	Confident	63 Å²	63	70.7 Å²	70.7	25%	0.247	39%	0.389	C	S	.	.			trans	-65.3	124.7	173.3	-174.2	-96.1	0	0	0	110.6	F203 L238 D273 L274 N278 L279	F203-Y276 AromaticContact CE2-CD1 3.93Å; F203-Y276 HydrophobicContact CE2-CD1 3.93Å; F203-Y276 AromaticContact CE2-CD2 3.95Å; F203-Y276 HydrophobicContact CE2-CD2 3.95Å; F203-Y276 AromaticContact CE2-CE1 3.91Å; F203-Y276 HydrophobicContact CE2-CE1 3.91Å; F203-Y276 AromaticContact CE2-CE2 3.95Å; F203-Y276 HydrophobicContact CE2-CE2 3.95Å; F203-Y276 AromaticContact CE2-CG 3.94Å; F203-Y276 HydrophobicContact CE2-CG 3.94Å; F203-Y276 AromaticContact CE2-CZ 3.93Å; F203-Y276 AromaticContact CZ-CD1 3.83Å; F203-Y276 HydrophobicContact CZ-CD1 3.83Å; F203-Y276 AromaticContact CZ-CD2 3.76Å; F203-Y276 HydrophobicContact CZ-CD2 3.76Å; F203-Y276 HydrophobicContact CZ-CE1 4.3Å; F203-Y276 HydrophobicContact CZ-CE2 4.24Å; F203-Y276 AromaticContact CZ-CG 3.52Å; F203-Y276 HydrophobicContact CZ-CG 3.52Å; L238-Y276 HydrophobicContact CD1-CD1 4.06Å; L238-Y276 HydrophobicContact CD1-CE1 3.76Å; D273-Y276 VanDerWaalsContact O-CB 3.31Å; D273-Y276 WeakPolarHBondContact O-CB 3.46Å; D273-Y276 PolarHBondContact O-N 3.38Å; D273-Y276 VanDerWaalsContact O-N 3.13Å; L274-Y276 VanDerWaalsContact C-N 3.3Å; Y276-N278 VanDerWaalsContact C-N 3.25Å; Y276-N278 HydrophobicContact CD1-CB 4.22Å; Y276-N278 HydrophobicContact CE1-CB 3.91Å; Y276-N278 PolarHBondContact O-N 3.07Å; Y276-L279 HydrophobicContact CD1-CG 4.04Å; Y276-L279 HydrophobicContact CG-CG 4.48Å; Y276-L279 PolarHBondContact O-N 3.41Å
277	P	92.6	Very high	89.9	Confident	117 Å²	117	68 Å²	68	76%	0.76	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.2	-165.7	-30.3	35.3	0	0	0	117.1
278	N	94.8	Very high	91.7	Very high	56 Å²	56	72.4 Å²	72.4	30%	0.299	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	10.1	-177.7	-60.8	-26.9	0	0	0	113.3	L238 F239 Y276	L238-N278 WeakPolarHBondContact CA-O 3.28Å; L238-N278 HydrophobicContact CD1-CB 3.96Å; F239-N278 PolarHBondContact N-O 2.79Å; F239-N278 WeakPolarHBondContact O-CB 3.47Å; Y276-N278 VanDerWaalsContact C-N 3.25Å; Y276-N278 HydrophobicContact CD1-CB 4.22Å; Y276-N278 HydrophobicContact CE1-CB 3.91Å; Y276-N278 PolarHBondContact O-N 3.07Å
279	L	96.3	Very high	93.3	Very high	26 Å²	26	68.8 Å²	68.8	14%	0.136	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	141.1	172.5	-66.3	179.9	0	0	0	111.4	F203 R236 R237 L238 V249 A251 D273 Y276	F203-L279 HydrophobicContact CD1-CD2 4.47Å; F203-L279 HydrophobicContact CE1-CD1 3.84Å; F203-L279 HydrophobicContact CE1-CD2 4.4Å; F203-L279 HydrophobicContact CE1-CG 4.47Å; F203-L279 HydrophobicContact CZ-CD1 4.38Å; R236-L279 HydrophobicContact CB-CB 4.38Å; R236-L279 HydrophobicContact CB-CD1 4.42Å; R236-L279 HydrophobicContact CB-CD2 3.86Å; R236-L279 HydrophobicContact CB-CG 4.44Å; R236-L279 HydrophobicContact CG-CD1 4.34Å; R237-L279 CarbonylContact O-C 3.53Å; R237-L279 WeakPolarHBondContact O-CA 3.46Å; L238-L279 HydrophobicContact CB-CD2 3.92Å; L238-L279 HydrophobicContact CD1-CD2 3.76Å; L238-L279 HydrophobicContact CD1-CG 4.49Å; L238-L279 HydrophobicContact CG-CD2 4.4Å; V249-L279 HydrophobicContact CG2-CD2 3.66Å; A251-L279 HydrophobicContact CB-CD1 3.76Å; D273-L279 VanDerWaalsContact O-CD1 3.23Å; D273-L279 WeakPolarHBondContact O-CD1 3.46Å; Y276-L279 HydrophobicContact CD1-CG 4.04Å; Y276-L279 HydrophobicContact CG-CG 4.48Å; Y276-L279 PolarHBondContact O-N 3.41Å
280	S	96.3	Very high	94.5	Very high	37 Å²	37	68.1 Å²	68.1	26%	0.259	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.9	162	89	0	0	0	0	111.6	R236 R237 F239	R236-S280 CarbonylContact C-O 3.52Å; R236-S280 WeakPolarHBondContact CA-O 3.45Å; R236-S280 VanDerWaalsContact CD-O 3.27Å; R236-S280 WeakPolarHBondContact CD-O 3.33Å; R237-S280 PolarHBondContact N-O 3.07Å; R237-S280 PolarHBondContact O-N 3.25Å; F239-S280 WeakPolarHBondContact CE2-OG 3.28Å
281	E	96.6	Very high	94.9	Very high	98 Å²	98	64.7 Å²	64.7	46%	0.458	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-70.5	155.9	171.6	-65	175.6	175.7	0	0	111	R236 P287	R236-E281 IonicContact NH2-OE1 3.19Å; E281-P287 WeakPolarHBondContact OE1-CB 3.25Å; E281-P287 WeakPolarHBondContact OE2-CG 3.31Å
282	F	94.2	Very high	95.1	Very high	26 Å²	26	59.8 Å²	59.8	11%	0.114	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-75.3	135.6	168.2	-86.2	-90.2	0	0	0	109.3	V218 P235 R237 C248 C285 C292 I294	V218-F282 HydrophobicContact CG2-CE1 4.38Å; V218-F282 HydrophobicContact CG2-CE2 4.35Å; V218-F282 HydrophobicContact CG2-CZ 4.15Å; P235-F282 HydrophobicContact CB-CD2 3.8Å; P235-F282 HydrophobicContact CB-CE2 3.77Å; R237-F282 HydrophobicContact CG-CD1 4.25Å; R237-F282 HydrophobicContact CG-CD2 4.19Å; R237-F282 HydrophobicContact CG-CE1 3.98Å; R237-F282 HydrophobicContact CG-CE2 3.91Å; R237-F282 HydrophobicContact CG-CG 4.34Å; R237-F282 HydrophobicContact CG-CZ 3.78Å; C248-F282 HydrophobicContact CB-CE2 4.33Å; C248-F282 HydrophobicContact CB-CZ 3.81Å; C248-F282 WeakPolarHBondContact SG-CE2 3.35Å; C248-F282 WeakPolarHBondContact SG-CZ 3.34Å; F282-C285 HydrophobicContact CB-CB 3.94Å; F282-C292 HydrophobicContact CB-CB 4.29Å; F282-C292 HydrophobicContact CG-CB 4.38Å; F282-I294 HydrophobicContact CE1-CD1 4.05Å; F282-I294 HydrophobicContact CE1-CG1 4.29Å
283	P	91.3	Very high	95.2	Very high	81 Å²	81	65.3 Å²	65.3	53%	0.526	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	147.6	173.7	28.4	-34.3	0	0	0	110	C285	P283-C285 PolarHBondContact O-N 3.29Å; P283-C285 VanDerWaalsContact O-N 3.07Å
284	N	91.6	Very high	94.9	Very high	156 Å²	156	67.5 Å²	67.5	83%	0.834	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	22.3	176.5	-52.2	-34.9	0	0	0	115.1
285	C	95.5	Very high	94.2	Very high	23 Å²	23	70.5 Å²	70.5	16%	0.155	39%	0.386	C	S	.	.	S	Bend	trans	-120.5	141.8	175.2	-170.5	0	0	0	0	110.4	F282 P283 P287 C292	F282-C285 HydrophobicContact CB-CB 3.94Å; P283-C285 PolarHBondContact O-N 3.29Å; P283-C285 VanDerWaalsContact O-N 3.07Å; C285-P287 WeakPolarHBondContact O-CD 3.28Å; C285-C292 HydrophobicContact CB-CB 3.66Å; C285-C292 WeakPolarHBondContact CB-SG 3.31Å; C285-C292 WeakPolarHBondContact SG-CA 3.45Å; C285-C292 WeakPolarHBondContact SG-CB 3.06Å; C285-C292 CovalentContact SG-SG 2.03Å; C285-C292 PolarHBondContact SG-SG 3.4Å
286	D	96.3	Very high	92.9	Very high	100 Å²	100	70.5 Å²	70.5	54%	0.535	39%	0.391	S	S	.	.			trans	-60.3	127.1	170.8	178.7	-26.9	0	0	0	109	K288 A289	D286-K288 PolarHBondContact O-N 2.94Å; D286-K288 WeakPolarHBondContact OD1-CB 3.48Å; D286-K288 PolarHBondContact OD1-N 3.07Å; D286-A289 HydrophobicContact CB-CB 3.97Å; D286-A289 WeakPolarHBondContact O-CB 3.43Å; D286-A289 PolarHBondContact O-N 3.13Å
287	P	95.7	Very high	91	Very high	52 Å²	52	74.7 Å²	74.7	34%	0.338	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-25.7	178.8	-29.6	37.3	0	0	0	114.9	R236 E281 C285	R236-P287 PolarHBondContact NH1-O 3.4Å; R236-P287 PolarHBondContact NH2-O 3.01Å; E281-P287 WeakPolarHBondContact OE1-CB 3.25Å; E281-P287 WeakPolarHBondContact OE2-CG 3.31Å; C285-P287 WeakPolarHBondContact O-CD 3.28Å
288	K	95.9	Very high	88.8	Confident	182 Å²	182	77.3 Å²	77.3	79%	0.791	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-4.2	179.3	-63.7	-175	177.7	-176.3	0	113.4	D286 V290	D286-K288 PolarHBondContact O-N 2.94Å; D286-K288 WeakPolarHBondContact OD1-CB 3.48Å; D286-K288 PolarHBondContact OD1-N 3.07Å; K288-V290 PolarHBondContact O-N 2.95Å
289	A	97.6	Very high	88.5	Confident	26 Å²	26	78.4 Å²	78.4	22%	0.215	44%	0.437	C	S	.	.			trans	-67	135.6	178.8	0	0	0	0	0	110.9	P235 D286 S291	P235-A289 WeakPolarHBondContact CD-O 3.45Å; D286-A289 HydrophobicContact CB-CB 3.97Å; D286-A289 WeakPolarHBondContact O-CB 3.43Å; D286-A289 PolarHBondContact O-N 3.13Å; A289-S291 WeakPolarHBondContact CB-O 3.4Å; A289-S291 PolarHBondContact O-N 3.25Å
290	V	98	Very high	88.1	Confident	75 Å²	75	81.1 Å²	81.1	46%	0.455	45%	0.453	S	S	.	.	S	Bend	trans	-76.7	-4.1	171.5	-60.4	0	0	0	0	112.1	W219 C220 V232 K288	W219-V290 CarbonylContact C-O 3.53Å; W219-V290 WeakPolarHBondContact CA-O 3.42Å; W219-V290 WeakPolarHBondContact CB-O 3.38Å; C220-V290 PolarHBondContact N-O 3Å; V232-V290 HydrophobicContact CG1-CB 4.12Å; V232-V290 HydrophobicContact CG1-CG1 3.79Å; K288-V290 PolarHBondContact O-N 2.95Å
291	S	98	Very high	87.6	Confident	28 Å²	28	83.6 Å²	83.6	20%	0.196	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	137	-178.3	-175.9	0	0	0	0	111.4	R217 V218 A289	R217-S291 PolarHBondContact NE-OG 3.47Å; R217-S291 PolarHBondContact NH2-OG 2.67Å; V218-S291 CarbonylContact O-C 3.58Å; V218-S291 VanDerWaalsContact O-CA 3.23Å; V218-S291 WeakPolarHBondContact O-CA 3.44Å; V218-S291 PolarHBondContact O-OG 3.01Å; A289-S291 WeakPolarHBondContact CB-O 3.4Å; A289-S291 PolarHBondContact O-N 3.25Å
292	C	97.1	Very high	87.1	Confident	4 Å²	4	82.7 Å²	82.7	3%	0.027	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.2	178.4	-60.4	0	0	0	0	110.3	R217 V218 F282 C285	R217-C292 WeakPolarHBondContact CA-O 3.36Å; R217-C292 WeakPolarHBondContact CG-O 3.43Å; V218-C292 HydrophobicContact CG2-CB 4.02Å; V218-C292 PolarHBondContact N-O 3.49Å; V218-C292 PolarHBondContact O-N 2.75Å; F282-C292 HydrophobicContact CB-CB 4.29Å; F282-C292 HydrophobicContact CG-CB 4.38Å; C285-C292 HydrophobicContact CB-CB 3.66Å; C285-C292 WeakPolarHBondContact CB-SG 3.31Å; C285-C292 WeakPolarHBondContact SG-CA 3.45Å; C285-C292 WeakPolarHBondContact SG-CB 3.06Å; C285-C292 CovalentContact SG-SG 2.03Å; C285-C292 PolarHBondContact SG-SG 3.4Å
293	N	95	Very high	86.7	Confident	121 Å²	121	86.3 Å²	86.3	65%	0.647	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	145.6	167	-64.3	-24.3	0	0	0	109.2
294	I	89.7	Confident	86.3	Confident	48 Å²	48	86.6 Å²	86.6	25%	0.246	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.7	177.2	-55.9	-178.4	0	0	0	106.4	G216 V218 F282	G216-I294 PolarHBondContact N-O 2.95Å; G216-I294 PolarHBondContact O-N 2.8Å; V218-I294 HydrophobicContact CB-CD1 4.21Å; V218-I294 HydrophobicContact CG1-CD1 3.46Å; V218-I294 VanDerWaalsContact CG1-CD1 3.46Å; V218-I294 HydrophobicContact CG1-CG1 4.48Å; V218-I294 HydrophobicContact CG2-CD1 3.82Å; V218-I294 HydrophobicContact CG2-CG1 4.11Å; F282-I294 HydrophobicContact CE1-CD1 4.05Å; F282-I294 HydrophobicContact CE1-CG1 4.29Å
295	D	80.9	Confident	86	Confident	97 Å²	97	81.6 Å²	81.6	52%	0.519	46%	0.459	S	S	.	.			trans	-63.5	152.3	178.9	-62.9	-38.5	0	0	0	110.9	D297	D295-D297 PolarHBondContact O-N 3.36Å; D295-D297 VanDerWaalsContact O-N 3.13Å
296	S	64.7	Low	85.2	Confident	65 Å²	65	86.2 Å²	86.2	46%	0.455	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.9	-178.5	54.2	0	0	0	0	114.6
297	D	53.6	Low	84.3	Confident	151 Å²	151	85 Å²	85	81%	0.807	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	14.7	-162.4	-62.6	-5.5	0	0	0	113.7	D295	D295-D297 PolarHBondContact O-N 3.36Å; D295-D297 VanDerWaalsContact O-N 3.13Å
298	V	45.6	Very low	83.3	Confident	171 Å²	171	88 Å²	88	100%	1.036	49%	0.49	S	S	*	.			trans	-104.4	0	173.4	-171.9	0	0	0	0	110.6

Retrieved 298 of 298 residues in 858.9 ms (Link to these results)

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