A0A077ZJC7_TRITR Loading...

Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial

Iron-sulfur protein (IP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).

AlphaFold DB , UniProt , Accession A0A077ZJC7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 279 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	43.3	Very low	43.6	Very low	237 Å²	237	151.9 Å²	151.9	100%	1.167	83%	0.831	S	S	*	*				0	108	0	-89.8	176.9	174.4	0	0	108
2	I	38	Very low	43.3	Very low	159 Å²	159	155.7 Å²	155.7	82%	0.815	84%	0.838	S	S	*	*			trans	-88.9	117.1	179.4	-63.8	166.8	0	0	0	106.3	T4	I2-T4 HydrophobicContact CG2-CG2 4.02Å
3	I	50.4	Low	42.9	Very low	162 Å²	162	159.5 Å²	159.5	83%	0.831	84%	0.842	S	S	*	*			trans	-110.5	98.3	168	-59.4	179.7	0	0	0	106.6
4	T	46.2	Very low	42.6	Very low	112 Å²	112	155.3 Å²	155.3	69%	0.687	84%	0.842	S	S	*	*			trans	-67.3	130.8	170.8	41.4	0	0	0	0	110.5	I2 R6	I2-T4 HydrophobicContact CG2-CG2 4.02Å; T4-R6 PolarHBondContact O-N 3.44Å
5	A	42.3	Very low	42.4	Very low	103 Å²	103	155.5 Å²	155.5	85%	0.851	84%	0.835	S	S	*	*			trans	-60.6	128.3	171.4	0	0	0	0	0	111.2
6	R	46.8	Very low	42	Very low	240 Å²	240	156.9 Å²	156.9	91%	0.906	84%	0.841	S	S	*	*			trans	-96.2	107.8	163.7	-90	-176.7	170.4	-172.5	-2.7	108.6	T4	T4-R6 PolarHBondContact O-N 3.44Å
7	S	42.9	Very low	42	Very low	104 Å²	104	154.5 Å²	154.5	73%	0.727	83%	0.827	S	S	*	*			trans	-65	127.9	163.5	44.5	0	0	0	0	109.7
8	V	46.2	Very low	42.2	Very low	127 Å²	127	152.9 Å²	152.9	77%	0.77	82%	0.824	S	S	*	*			trans	-96.1	102.5	166.2	176.8	0	0	0	0	106.9	L10	V8-L10 PolarHBondContact O-N 3.07Å
9	L	40.7	Very low	42.2	Very low	162 Å²	162	150.6 Å²	150.6	85%	0.848	83%	0.828	S	S	*	*			trans	-73	111.4	167.4	-80.7	150.5	0	0	0	108.4
10	L	39.9	Very low	42.2	Very low	149 Å²	149	146.5 Å²	146.5	78%	0.78	82%	0.822	S	S	*	*			trans	-90.5	135.6	163.1	-92.7	139.4	0	0	0	109	V8	V8-L10 PolarHBondContact O-N 3.07Å
11	P	43	Very low	42.9	Very low	116 Å²	116	146.7 Å²	146.7	75%	0.753	81%	0.81	S	S	*	*			trans	-73	135	-177.5	28.9	-31.1	0	0	0	111.1	K13	P11-K13 PolarHBondContact O-N 3.29Å; P11-K13 VanDerWaalsContact O-N 3.14Å
12	Q	39.5	Very low	43.3	Very low	197 Å²	197	139 Å²	139	92%	0.921	77%	0.77	S	S	*	*			trans	-64.4	104.2	166.9	-75.9	175.3	-16.1	0	0	110.2
13	K	39.1	Very low	43.8	Very low	205 Å²	205	136.7 Å²	136.7	89%	0.891	78%	0.775	S	S	*	*			trans	-147.4	90.9	154.4	-80	-169.4	178.6	176.9	0	108.9	P11	P11-K13 PolarHBondContact O-N 3.29Å; P11-K13 VanDerWaalsContact O-N 3.14Å
14	A	38.2	Very low	43.8	Very low	101 Å²	101	132 Å²	132	84%	0.835	76%	0.757	S	S	*	*			trans	-124.3	114.1	161.2	0	0	0	0	0	107.4
15	Q	40.2	Very low	44.3	Very low	158 Å²	158	134.3 Å²	134.3	74%	0.738	77%	0.765	S	S	*	*			trans	-63.1	140.2	-166.8	-68.4	147.5	-41.8	0	0	112.7	L17	Q15-L17 HydrophobicContact CB-CD1 3.85Å; Q15-L17 HydrophobicContact CB-CG 3.9Å; Q15-L17 PolarHBondContact O-N 2.94Å
16	L	35.4	Very low	45.4	Very low	179 Å²	179	133.7 Å²	133.7	94%	0.937	75%	0.75	S	S	*	*			trans	-56.8	106.8	153.2	-81.2	93.8	0	0	0	108.1
17	L	42.6	Very low	47.4	Very low	116 Å²	116	122.4 Å²	122.4	61%	0.607	71%	0.709	S	S	*	*			trans	-132.4	18.2	-179.5	-92.7	171.3	0	0	0	113.6	Q15	Q15-L17 HydrophobicContact CB-CD1 3.85Å; Q15-L17 HydrophobicContact CB-CG 3.9Å; Q15-L17 PolarHBondContact O-N 2.94Å
18	T	45.7	Very low	49.9	Very low	125 Å²	125	120.7 Å²	120.7	77%	0.767	69%	0.691	S	S	*	*	S	Bend	trans	-103.6	-5.3	-175.9	38.5	0	0	0	0	115.5
19	A	42.2	Very low	52.3	Low	109 Å²	109	114.7 Å²	114.7	90%	0.901	65%	0.654	S	S	*	*	S	Bend	trans	-93.9	1.2	-171	0	0	0	0	0	116.9
20	G	42.4	Very low	55	Low	68 Å²	68	110.9 Å²	110.9	70%	0.701	63%	0.632	S	S	*	*			trans	-123.1	12.9	-169.7	0	0	0	0	0	117.6	F22	G20-F22 PolarHBondContact O-N 3.45Å
21	R	55.4	Low	57.8	Low	152 Å²	152	103.8 Å²	103.8	57%	0.574	60%	0.595	S	S	*	*	S	Bend	trans	-78.3	-7.5	-158.4	-74	-175.6	176.5	-144	-8.5	117.9
22	F	52	Low	60.5	Low	74 Å²	74	100.4 Å²	100.4	33%	0.325	57%	0.569	S	S	.	*			trans	-145.6	79.6	-175.3	-61.3	-73.7	0	0	0	113.9	G20 A27 L54 K55	G20-F22 PolarHBondContact O-N 3.45Å; F22-A27 HydrophobicContact CB-CB 4.29Å; F22-A27 HydrophobicContact CD1-CB 3.37Å; F22-A27 HydrophobicContact CE1-CB 3.83Å; F22-A27 HydrophobicContact CG-CB 3.93Å; F22-L54 HydrophobicContact CE1-CB 3.93Å; F22-L54 HydrophobicContact CE1-CD1 3.93Å; F22-L54 HydrophobicContact CE2-CB 4.13Å; F22-L54 HydrophobicContact CZ-CB 3.55Å; F22-L54 HydrophobicContact CZ-CD1 3.85Å; F22-L54 HydrophobicContact CZ-CG 4.37Å; F22-K55 HydrophobicContact CB-CD 4.19Å; F22-K55 HydrophobicContact CB-CG 3.8Å; F22-K55 HydrophobicContact CD2-CG 4.19Å; F22-K55 HydrophobicContact CG-CG 4.06Å; F22-K55 VanDerWaalsContact O-CE 3.23Å; F22-K55 WeakPolarHBondContact O-CE 3.23Å; F22-K55 PolarHBondContact O-NZ 3.16Å
23	A	49	Very low	63.3	Low	111 Å²	111	91 Å²	91	92%	0.917	53%	0.525	S	S	*	.			trans	-87.3	-1.7	173.3	0	0	0	0	0	114.4
24	S	50.1	Low	66.1	Low	65 Å²	65	83.2 Å²	83.2	46%	0.455	49%	0.49	S	S	.	.	S	Bend	trans	-93.7	141.3	173.4	147	0	0	0	0	110.7	T26 K55	S24-T26 PolarHBondContact O-N 3.09Å; S24-T26 VanDerWaalsContact O-N 3.16Å; S24-T26 PolarHBondContact OG-N 3.24Å; S24-K55 WeakPolarHBondContact O-CE 3.37Å; S24-K55 PolarHBondContact O-NZ 2.83Å
25	D	56.4	Low	69	Low	160 Å²	160	79.2 Å²	79.2	86%	0.856	45%	0.454	S	S	*	.	S	Bend	trans	-67.2	-7.8	-176.4	-99.6	-20	0	0	0	114.8
26	T	66.5	Low	71.8	Confident	89 Å²	89	74.3 Å²	74.3	55%	0.546	43%	0.429	S	S	.	.			trans	-137.2	82	177.1	50.7	0	0	0	0	111.8	S24 I28	S24-T26 PolarHBondContact O-N 3.09Å; S24-T26 VanDerWaalsContact O-N 3.16Å; S24-T26 PolarHBondContact OG-N 3.24Å; T26-I28 PolarHBondContact O-N 3Å
27	A	88.2	Confident	74.8	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.033	40%	0.397	C	S	.	.			trans	-78	44.8	169.4	0	0	0	0	0	111.9	F22 L54 K55	F22-A27 HydrophobicContact CB-CB 4.29Å; F22-A27 HydrophobicContact CD1-CB 3.37Å; F22-A27 HydrophobicContact CE1-CB 3.83Å; F22-A27 HydrophobicContact CG-CB 3.93Å; A27-L54 HydrophobicContact CB-CB 4.25Å; A27-L54 WeakPolarHBondContact O-CG 3.46Å; A27-L54 PolarHBondContact O-N 3Å; A27-K55 HydrophobicContact CB-CD 4.49Å; A27-K55 HydrophobicContact CB-CG 3.98Å
28	I	95.3	Very high	77.4	Confident	68 Å²	68	65 Å²	65	35%	0.349	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116.4	-178.1	-55	-57.6	0	0	0	109.1	T26 N51 I52 N53	T26-I28 PolarHBondContact O-N 3Å; I28-N51 HydrophobicContact CG2-CB 3.75Å; I28-I52 WeakPolarHBondContact CA-O 3.38Å; I28-N53 HydrophobicContact CD1-CB 3.8Å
29	K	96.5	Very high	79.9	Confident	1 Å²	1	64.9 Å²	64.9	0%	0.004	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.6	174.8	-178.3	69.8	177.7	-164.2	0	110.2	F31 I52 L54 I106 D107 N109 K112	K29-F31 HydrophobicContact CB-CE2 4.19Å; K29-F31 HydrophobicContact CG-CD2 4.26Å; K29-F31 HydrophobicContact CG-CE2 3.74Å; K29-F31 HydrophobicContact CG-CZ 4.26Å; K29-I52 PolarHBondContact N-O 2.84Å; K29-I52 PolarHBondContact O-N 2.78Å; K29-L54 HydrophobicContact CB-CD1 3.87Å; K29-L54 HydrophobicContact CB-CD2 3.63Å; K29-L54 HydrophobicContact CB-CG 3.71Å; K29-L54 HydrophobicContact CG-CD1 4.46Å; K29-L54 HydrophobicContact CG-CD2 4.27Å; K29-I106 HydrophobicContact CG-CG2 4.19Å; K29-D107 VanDerWaalsContact CE-O 3.25Å; K29-D107 WeakPolarHBondContact CE-O 3.4Å; K29-D107 PolarHBondContact NZ-O 3.1Å; K29-N109 PolarHBondContact NZ-O 3.44Å; K29-K112 VanDerWaalsContact CE-O 3.26Å; K29-K112 WeakPolarHBondContact CE-O 3.41Å; K29-K112 PolarHBondContact NZ-O 3.33Å
30	Q	97.8	Very high	82.4	Confident	81 Å²	81	62.4 Å²	62.4	38%	0.379	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.3	171.8	-74.8	-178.5	-2.3	0	0	111.1	T49 Y50 N51 P113 E114	Q30-T49 HydrophobicContact CB-CG2 4.3Å; Q30-T49 HydrophobicContact CG-CG2 4.19Å; Q30-Y50 CarbonylContact C-O 3.55Å; Q30-Y50 WeakPolarHBondContact CA-O 3.41Å; Q30-N51 VanDerWaalsContact CG-OD1 3.25Å; Q30-N51 WeakPolarHBondContact CG-OD1 3.49Å; Q30-P113 HydrophobicContact CB-CB 3.96Å; Q30-P113 CarbonylContact O-C 3.57Å; Q30-P113 WeakPolarHBondContact O-CA 3.34Å; Q30-E114 PolarHBondContact O-N 3.44Å
31	F	98.6	Very high	84.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.5	167.3	-73.9	-96.2	0	0	0	109	K29 V33 T49 Y50 I52 V61 A64 I68 I106 E114 V116	K29-F31 HydrophobicContact CB-CE2 4.19Å; K29-F31 HydrophobicContact CG-CD2 4.26Å; K29-F31 HydrophobicContact CG-CE2 3.74Å; K29-F31 HydrophobicContact CG-CZ 4.26Å; F31-V33 HydrophobicContact CB-CG2 4.17Å; F31-T49 CarbonylContact O-C 3.56Å; F31-T49 VanDerWaalsContact O-CA 3.3Å; F31-T49 WeakPolarHBondContact O-CA 3.44Å; F31-Y50 PolarHBondContact N-O 3.49Å; F31-Y50 PolarHBondContact O-N 2.79Å; F31-I52 HydrophobicContact CD2-CB 4.14Å; F31-I52 HydrophobicContact CD2-CG1 3.9Å; F31-I52 HydrophobicContact CE2-CB 4.01Å; F31-I52 HydrophobicContact CE2-CG1 4.12Å; F31-I52 HydrophobicContact CE2-CG2 4.5Å; F31-V61 HydrophobicContact CE1-CG1 4.19Å; F31-A64 HydrophobicContact CD2-CB 4.38Å; F31-A64 HydrophobicContact CE1-CB 3.82Å; F31-A64 HydrophobicContact CE2-CB 3.67Å; F31-A64 HydrophobicContact CZ-CB 3.35Å; F31-I68 HydrophobicContact CB-CD1 4.15Å; F31-I68 HydrophobicContact CG-CD1 4.38Å; F31-I106 HydrophobicContact CZ-CD1 4.06Å; F31-I106 HydrophobicContact CZ-CG1 4.04Å; F31-I106 HydrophobicContact CZ-CG2 3.93Å; F31-E114 CarbonylContact C-O 3.53Å; F31-E114 WeakPolarHBondContact CA-O 3.29Å; F31-E114 HydrophobicContact CD1-CB 3.79Å; F31-E114 HydrophobicContact CD1-CG 3.91Å; F31-E114 HydrophobicContact CE1-CB 3.85Å; F31-E114 HydrophobicContact CE1-CG 3.7Å; F31-E114 HydrophobicContact CG-CB 4.36Å; F31-E114 HydrophobicContact CZ-CB 4.46Å; F31-V116 HydrophobicContact CD1-CG2 4.34Å
32	Q	98.7	Very high	86.7	Confident	46 Å²	46	62.2 Å²	62.2	22%	0.215	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	108.3	171.8	-72.5	-179.5	-5.4	0	0	108.4	M47 Q48 P113 E114 K115 V116	Q32-M47 HydrophobicContact CB-CE 3.88Å; Q32-M47 WeakPolarHBondContact O-CE 3.49Å; Q32-Q48 CarbonylContact C-O 3.53Å; Q32-Q48 WeakPolarHBondContact CA-O 3.32Å; Q32-P113 HydrophobicContact CG-CB 3.96Å; Q32-E114 PolarHBondContact N-O 2.93Å; Q32-K115 HydrophobicContact CB-CG 4.21Å; Q32-K115 CarbonylContact O-C 3.47Å; Q32-K115 WeakPolarHBondContact O-CA 3.45Å; Q32-K115 VanDerWaalsContact OE1-CE 3.29Å; Q32-V116 PolarHBondContact O-N 3.38Å
33	V	98.9	Very high	88.8	Confident	0 Å²	0	62 Å²	62	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.5	-171.5	-172.3	0	0	0	0	110.3	F31 R35 Q48 Y50 L65 L76 V116 L128	F31-V33 HydrophobicContact CB-CG2 4.17Å; V33-R35 PolarHBondContact O-N 3.14Å; V33-Q48 PolarHBondContact N-O 3.43Å; V33-Q48 PolarHBondContact O-N 3.14Å; V33-Y50 HydrophobicContact CB-CD2 4.35Å; V33-Y50 HydrophobicContact CB-CE2 4.05Å; V33-Y50 HydrophobicContact CG2-CD2 3.91Å; V33-Y50 HydrophobicContact CG2-CE2 4.07Å; V33-L65 HydrophobicContact CG2-CD2 4.28Å; V33-L76 HydrophobicContact CG1-CD1 3.82Å; V33-V116 HydrophobicContact CG1-CB 4.41Å; V33-V116 HydrophobicContact CG2-CB 4.32Å; V33-L128 HydrophobicContact CG1-CD1 3.82Å; V33-L128 HydrophobicContact CG1-CD2 4.04Å; V33-L128 HydrophobicContact CG1-CG 4.07Å
34	Y	98.9	Very high	91.1	Very high	41 Å²	41	64.6 Å²	64.6	16%	0.161	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	130.2	172.6	176.9	-81.5	0	0	0	111	P45 V116 Y117 P118 V124 D127	Y34-P45 HydrophobicContact CD2-CB 4.5Å; Y34-P45 HydrophobicContact CE1-CB 4.39Å; Y34-P45 HydrophobicContact CE2-CB 3.57Å; Y34-P45 HydrophobicContact CE2-CG 4.4Å; Y34-P45 VanDerWaalsContact OH-CB 3.29Å; Y34-P45 WeakPolarHBondContact OH-CB 3.25Å; Y34-P45 VanDerWaalsContact OH-CG 3.26Å; Y34-P45 WeakPolarHBondContact OH-CG 3.26Å; Y34-V116 PolarHBondContact N-O 3.43Å; Y34-Y117 AromaticContact CD2-CD1 3.96Å; Y34-Y117 HydrophobicContact CD2-CD1 3.96Å; Y34-Y117 HydrophobicContact CD2-CE1 4.36Å; Y34-Y117 HydrophobicContact CG-CD1 4.35Å; Y34-P118 HydrophobicContact CD1-CG 3.65Å; Y34-P118 HydrophobicContact CE1-CG 3.94Å; Y34-P118 HydrophobicContact CG-CG 4.07Å; Y34-V124 HydrophobicContact CE1-CG1 3.99Å; Y34-V124 HydrophobicContact CE1-CG2 4.32Å; Y34-D127 WeakPolarHBondContact CD1-O 3.28Å
35	R	98.7	Very high	93.4	Very high	16 Å²	16	64.5 Å²	64.5	6%	0.06	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.1	178.3	-58.5	-54.2	-53.1	-86.6	13	111.1	V33 P45 F46 Q48 Y50 D73 T75 D127	V33-R35 PolarHBondContact O-N 3.14Å; R35-P45 VanDerWaalsContact O-CA 3.28Å; R35-P45 WeakPolarHBondContact O-CA 3.5Å; R35-F46 HydrophobicContact CB-CD1 4.17Å; R35-F46 HydrophobicContact CB-CD2 4.21Å; R35-F46 HydrophobicContact CB-CE1 3.78Å; R35-F46 HydrophobicContact CB-CE2 3.83Å; R35-F46 HydrophobicContact CB-CG 4.37Å; R35-F46 HydrophobicContact CB-CZ 3.59Å; R35-F46 HydrophobicContact CG-CD2 4.43Å; R35-F46 HydrophobicContact CG-CE2 3.9Å; R35-F46 HydrophobicContact CG-CZ 4.03Å; R35-F46 PolarHBondContact N-O 3.16Å; R35-F46 PolarHBondContact O-N 2.96Å; R35-F46 VanDerWaalsContact O-N 3.16Å; R35-Q48 HydrophobicContact CG-CB 3.58Å; R35-Y50 PolarHBondContact NH1-OH 3.16Å; R35-D73 IonicContact CZ-OD2 3.63Å; R35-D73 IonicContact NH1-OD2 3.64Å; R35-D73 PolarHBondContact NH1-OD2 3.46Å; R35-D73 IonicContact NH2-OD2 3.64Å; R35-T75 PolarHBondContact NH2-O 3.27Å; R35-T75 PolarHBondContact NH2-OG1 2.87Å; R35-D127 WeakPolarHBondContact CA-OD1 3.17Å; R35-D127 IonicContact CZ-OD1 2.75Å; R35-D127 IonicContact CZ-OD2 2.96Å; R35-D127 VanDerWaalsContact NE-CG 3.31Å; R35-D127 IonicContact NE-OD1 3.82Å; R35-D127 PolarHBondContact NE-OD1 3.08Å; R35-D127 IonicContact NE-OD2 3.53Å; R35-D127 PolarHBondContact NE-OD2 3.34Å; R35-D127 IonicContact NH2-OD1 3.46Å; R35-D127 IonicContact NH2-OD2 3.99Å; R35-D127 PolarHBondContact NH2-OD2 3.11Å; R35-D127 VanDerWaalsContact NH2-OD2 3.11Å
36	Y	98.5	Very high	95.4	Very high	55 Å²	55	61.5 Å²	61.5	22%	0.216	33%	0.328	C	S	.	.			trans	-158.1	130.4	171.6	170.2	-111.2	0	0	0	109.3	P38 P45 V124 K126 D127	Y36-P38 HydrophobicContact CE1-CB 4.17Å; Y36-P45 HydrophobicContact CD2-CG 3.99Å; Y36-P45 HydrophobicContact CG-CG 4.45Å; Y36-V124 HydrophobicContact CD1-CB 4.48Å; Y36-V124 HydrophobicContact CD1-CG1 4.14Å; Y36-K126 WeakPolarHBondContact O-CG 3.46Å; Y36-D127 PolarHBondContact N-OD1 3.2Å; Y36-D127 PolarHBondContact O-N 2.99Å
37	N	98.2	Very high	96.9	Very high	51 Å²	51	60.2 Å²	60.2	27%	0.273	32%	0.316	S	S	.	.			trans	-118.9	113.7	177.8	-174.1	22.8	0	0	0	110.6	D39 T40 K126	N37-D39 PolarHBondContact O-N 2.86Å; N37-D39 PolarHBondContact OD1-N 3.49Å; N37-D39 PolarHBondContact OD1-OD2 2.82Å; N37-D39 VanDerWaalsContact OD1-OD2 3.13Å; N37-T40 CarbonylContact O-C 3.57Å; N37-T40 PolarHBondContact O-N 2.84Å; N37-T40 VanDerWaalsContact O-N 3.11Å; N37-T40 PolarHBondContact O-OG1 2.68Å; N37-K126 WeakPolarHBondContact OD1-CE 3.47Å; N37-K126 PolarHBondContact OD1-NZ 3.11Å
38	P	97.5	Very high	97.4	Very high	49 Å²	49	62.6 Å²	62.6	32%	0.318	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.6	-179.5	29.3	-37.3	0	0	0	113	Y36 T40 P41 I125 K126	Y36-P38 HydrophobicContact CE1-CB 4.17Å; P38-T40 PolarHBondContact O-N 2.84Å; P38-P41 WeakPolarHBondContact O-CD 3.35Å; P38-I125 WeakPolarHBondContact CD-O 3.21Å; P38-I125 VanDerWaalsContact CG-O 3.3Å; P38-I125 WeakPolarHBondContact CG-O 3.43Å; P38-K126 HydrophobicContact CG-CB 4.31Å; P38-K126 HydrophobicContact CG-CD 4.48Å
39	D	97.6	Very high	97.6	Very high	123 Å²	123	62.5 Å²	62.5	66%	0.658	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.1	177.1	-52.8	-46.5	0	0	0	112.3	N37 K126	N37-D39 PolarHBondContact O-N 2.86Å; N37-D39 PolarHBondContact OD1-N 3.49Å; N37-D39 PolarHBondContact OD1-OD2 2.82Å; N37-D39 VanDerWaalsContact OD1-OD2 3.13Å; D39-K126 IonicContact OD2-NZ 2.68Å; D39-K126 PolarHBondContact OD2-NZ 2.87Å
40	T	96.3	Very high	97.7	Very high	56 Å²	56	62.8 Å²	62.8	34%	0.344	33%	0.331	S	S	.	.	S	Bend	trans	-130	66.7	176.4	57	0	0	0	0	110	N37 P38 T42 V43	N37-T40 CarbonylContact O-C 3.57Å; N37-T40 PolarHBondContact O-N 2.84Å; N37-T40 VanDerWaalsContact O-N 3.11Å; N37-T40 PolarHBondContact O-OG1 2.68Å; P38-T40 PolarHBondContact O-N 2.84Å; T40-T42 PolarHBondContact O-N 3.04Å; T40-T42 VanDerWaalsContact O-N 3.08Å; T40-V43 WeakPolarHBondContact O-CB 3.42Å; T40-V43 PolarHBondContact O-N 3.15Å
41	P	91.9	Very high	97.7	Very high	91 Å²	91	62.9 Å²	62.9	59%	0.591	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.8	-167.7	28	-36.4	0	0	0	114.2	P38 V43	P38-P41 WeakPolarHBondContact O-CD 3.35Å; P41-V43 VanDerWaalsContact C-N 3.33Å
42	T	95.4	Very high	97.6	Very high	126 Å²	126	62.9 Å²	62.9	77%	0.773	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.1	173.9	52	0	0	0	0	112.7	T40 K44	T40-T42 PolarHBondContact O-N 3.04Å; T40-T42 VanDerWaalsContact O-N 3.08Å; T42-K44 PolarHBondContact O-N 3.39Å
43	V	96.1	Very high	97.4	Very high	69 Å²	69	62.8 Å²	62.8	42%	0.418	34%	0.335	S	S	.	.	S	Bend	trans	-78.5	114.9	176.9	-177.7	0	0	0	0	108.9	T40 P41 F46	T40-V43 WeakPolarHBondContact O-CB 3.42Å; T40-V43 PolarHBondContact O-N 3.15Å; P41-V43 VanDerWaalsContact C-N 3.33Å; V43-F46 HydrophobicContact CG1-CD1 4.45Å; V43-F46 HydrophobicContact CG1-CE1 4.32Å
44	K	97.6	Very high	97.3	Very high	166 Å²	166	63.5 Å²	63.5	72%	0.722	34%	0.338	S	S	*	.			trans	-66.7	150.7	177.2	-62.7	-60.7	-176.6	-175.5	0	110.6	T42	T42-K44 PolarHBondContact O-N 3.39Å
45	P	98.2	Very high	97	Very high	62 Å²	62	66.1 Å²	66.1	40%	0.403	35%	0.351	S	S	.	.			trans	-55	143.3	172.2	-24.8	33.5	0	0	0	112.6	Y34 R35 Y36	Y34-P45 HydrophobicContact CD2-CB 4.5Å; Y34-P45 HydrophobicContact CE1-CB 4.39Å; Y34-P45 HydrophobicContact CE2-CB 3.57Å; Y34-P45 HydrophobicContact CE2-CG 4.4Å; Y34-P45 VanDerWaalsContact OH-CB 3.29Å; Y34-P45 WeakPolarHBondContact OH-CB 3.25Å; Y34-P45 VanDerWaalsContact OH-CG 3.26Å; Y34-P45 WeakPolarHBondContact OH-CG 3.26Å; R35-P45 VanDerWaalsContact O-CA 3.28Å; R35-P45 WeakPolarHBondContact O-CA 3.5Å; Y36-P45 HydrophobicContact CD2-CG 3.99Å; Y36-P45 HydrophobicContact CG-CG 4.45Å
46	F	98.4	Very high	96.9	Very high	97 Å²	97	71.7 Å²	71.7	43%	0.425	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	168.4	-178.2	64.2	-83.9	0	0	0	111.3	R35 V43 Q48	R35-F46 HydrophobicContact CB-CD1 4.17Å; R35-F46 HydrophobicContact CB-CD2 4.21Å; R35-F46 HydrophobicContact CB-CE1 3.78Å; R35-F46 HydrophobicContact CB-CE2 3.83Å; R35-F46 HydrophobicContact CB-CG 4.37Å; R35-F46 HydrophobicContact CB-CZ 3.59Å; R35-F46 HydrophobicContact CG-CD2 4.43Å; R35-F46 HydrophobicContact CG-CE2 3.9Å; R35-F46 HydrophobicContact CG-CZ 4.03Å; R35-F46 PolarHBondContact N-O 3.16Å; R35-F46 PolarHBondContact O-N 2.96Å; R35-F46 VanDerWaalsContact O-N 3.16Å; V43-F46 HydrophobicContact CG1-CD1 4.45Å; V43-F46 HydrophobicContact CG1-CE1 4.32Å; F46-Q48 HydrophobicContact CD2-CB 4.43Å; F46-Q48 HydrophobicContact CE2-CB 4Å
47	M	98.6	Very high	96.8	Very high	62 Å²	62	70.2 Å²	70.2	31%	0.305	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.3	173.4	-63.4	-57.6	-67.4	0	0	109.4	Q32 Y117	Q32-M47 HydrophobicContact CB-CE 3.88Å; Q32-M47 WeakPolarHBondContact O-CE 3.49Å; M47-Y117 HydrophobicContact CE-CD1 4.48Å; M47-Y117 HydrophobicContact CE-CE1 3.85Å; M47-Y117 HydrophobicContact CE-CE2 4.08Å; M47-Y117 HydrophobicContact CG-CE1 4.49Å; M47-Y117 HydrophobicContact SD-CD1 4.05Å; M47-Y117 HydrophobicContact SD-CE1 3.27Å; M47-Y117 WeakPolarHBondContact SD-CE1 3.25Å; M47-Y117 VanDerWaalsContact SD-CZ 3.57Å
48	Q	98.6	Very high	96.7	Very high	55 Å²	55	69.1 Å²	69.1	26%	0.257	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.5	173.8	-172.5	166.4	-23.2	0	0	110.2	Q32 V33 R35 F46 Y50 D73	Q32-Q48 CarbonylContact C-O 3.53Å; Q32-Q48 WeakPolarHBondContact CA-O 3.32Å; V33-Q48 PolarHBondContact N-O 3.43Å; V33-Q48 PolarHBondContact O-N 3.14Å; R35-Q48 HydrophobicContact CG-CB 3.58Å; F46-Q48 HydrophobicContact CD2-CB 4.43Å; F46-Q48 HydrophobicContact CE2-CB 4Å; Q48-Y50 HydrophobicContact CB-CE2 3.98Å; Q48-Y50 HydrophobicContact CG-CE1 4.26Å; Q48-Y50 HydrophobicContact CG-CE2 3.85Å; Q48-Y50 VanDerWaalsContact NE2-CE1 3.33Å; Q48-Y50 VanDerWaalsContact NE2-CZ 3.3Å; Q48-Y50 PolarHBondContact NE2-OH 2.88Å; Q48-Y50 VanDerWaalsContact NE2-OH 3.1Å; Q48-Y50 PolarHBondContact OE1-OH 3.39Å; Q48-D73 PolarHBondContact NE2-OD2 3.28Å
49	T	98.6	Very high	96.7	Very high	65 Å²	65	71.1 Å²	71.1	40%	0.399	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131	178.6	-57.3	0	0	0	0	110.2	Q30 F31	Q30-T49 HydrophobicContact CB-CG2 4.3Å; Q30-T49 HydrophobicContact CG-CG2 4.19Å; F31-T49 CarbonylContact O-C 3.56Å; F31-T49 VanDerWaalsContact O-CA 3.3Å; F31-T49 WeakPolarHBondContact O-CA 3.44Å
50	Y	98.5	Very high	96.8	Very high	8 Å²	8	67.7 Å²	67.7	3%	0.031	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.3	173	-57.9	-86.1	0	0	0	109.9	Q30 F31 V33 R35 Q48 I68 Q72 D73	Q30-Y50 CarbonylContact C-O 3.55Å; Q30-Y50 WeakPolarHBondContact CA-O 3.41Å; F31-Y50 PolarHBondContact N-O 3.49Å; F31-Y50 PolarHBondContact O-N 2.79Å; V33-Y50 HydrophobicContact CB-CD2 4.35Å; V33-Y50 HydrophobicContact CB-CE2 4.05Å; V33-Y50 HydrophobicContact CG2-CD2 3.91Å; V33-Y50 HydrophobicContact CG2-CE2 4.07Å; R35-Y50 PolarHBondContact NH1-OH 3.16Å; Q48-Y50 HydrophobicContact CB-CE2 3.98Å; Q48-Y50 HydrophobicContact CG-CE1 4.26Å; Q48-Y50 HydrophobicContact CG-CE2 3.85Å; Q48-Y50 VanDerWaalsContact NE2-CE1 3.33Å; Q48-Y50 VanDerWaalsContact NE2-CZ 3.3Å; Q48-Y50 PolarHBondContact NE2-OH 2.88Å; Q48-Y50 VanDerWaalsContact NE2-OH 3.1Å; Q48-Y50 PolarHBondContact OE1-OH 3.39Å; Y50-I68 HydrophobicContact CD1-CG1 4.44Å; Y50-I68 HydrophobicContact CD1-CG2 3.4Å; Y50-I68 HydrophobicContact CD2-CD1 4Å; Y50-I68 HydrophobicContact CD2-CG2 4.04Å; Y50-I68 HydrophobicContact CE1-CG2 3.48Å; Y50-I68 VanDerWaalsContact CE1-CG2 3.48Å; Y50-I68 HydrophobicContact CE2-CG2 4.11Å; Y50-I68 HydrophobicContact CG-CD1 3.89Å; Y50-I68 HydrophobicContact CG-CG1 4.09Å; Y50-I68 HydrophobicContact CG-CG2 3.67Å; Y50-Q72 HydrophobicContact CD1-CB 4.49Å; Y50-D73 HydrophobicContact CE1-CB 3.7Å; Y50-D73 PolarHBondContact OH-OD2 2.96Å
51	N	97.4	Very high	96.9	Very high	82 Å²	82	65 Å²	65	44%	0.439	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.3	178.3	-69.8	-58.1	0	0	0	109.2	I28 Q30 Q72	I28-N51 HydrophobicContact CG2-CB 3.75Å; Q30-N51 VanDerWaalsContact CG-OD1 3.25Å; Q30-N51 WeakPolarHBondContact CG-OD1 3.49Å; N51-Q72 PolarHBondContact O-NE2 3.44Å
52	I	96.7	Very high	97.2	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.8	-177.8	-65.7	-70	0	0	0	110.1	I28 K29 F31 L54 C57 K67 I68 Q72	I28-I52 WeakPolarHBondContact CA-O 3.38Å; K29-I52 PolarHBondContact N-O 2.84Å; K29-I52 PolarHBondContact O-N 2.78Å; F31-I52 HydrophobicContact CD2-CB 4.14Å; F31-I52 HydrophobicContact CD2-CG1 3.9Å; F31-I52 HydrophobicContact CE2-CB 4.01Å; F31-I52 HydrophobicContact CE2-CG1 4.12Å; F31-I52 HydrophobicContact CE2-CG2 4.5Å; I52-L54 HydrophobicContact CG2-CD2 4.32Å; I52-L54 PolarHBondContact O-N 2.84Å; I52-C57 HydrophobicContact CG2-CB 3.81Å; I52-K67 HydrophobicContact CD1-CB 4.33Å; I52-K67 HydrophobicContact CD1-CD 4.08Å; I52-K67 HydrophobicContact CD1-CG 4.13Å; I52-K67 HydrophobicContact CG2-CD 4.15Å; I52-I68 HydrophobicContact CD1-CD1 4.4Å; I52-I68 HydrophobicContact CD1-CG1 3.53Å; I52-I68 HydrophobicContact CG1-CD1 4.22Å; I52-I68 HydrophobicContact CG1-CG1 3.88Å; I52-Q72 VanDerWaalsContact CD1-NE2 3.32Å
53	N	95.3	Very high	97.4	Very high	43 Å²	43	57.5 Å²	57.5	23%	0.23	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	108.1	169.4	-175.3	-6.8	0	0	0	109.9	I28 K55 Q56 C57	I28-N53 HydrophobicContact CD1-CB 3.8Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 WeakPolarHBondContact OD1-CB 3.27Å; N53-K55 PolarHBondContact OD1-N 3.2Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å; N53-Q56 CarbonylContact O-C 3.55Å; N53-Q56 PolarHBondContact O-N 2.91Å; N53-C57 PolarHBondContact O-N 3.35Å
54	L	95.5	Very high	97.5	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.079	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-65.3	-21.4	-177.7	-61.2	-173.3	0	0	0	113.3	F22 A27 K29 I52 Q56 I106	F22-L54 HydrophobicContact CE1-CB 3.93Å; F22-L54 HydrophobicContact CE1-CD1 3.93Å; F22-L54 HydrophobicContact CE2-CB 4.13Å; F22-L54 HydrophobicContact CZ-CB 3.55Å; F22-L54 HydrophobicContact CZ-CD1 3.85Å; F22-L54 HydrophobicContact CZ-CG 4.37Å; A27-L54 HydrophobicContact CB-CB 4.25Å; A27-L54 WeakPolarHBondContact O-CG 3.46Å; A27-L54 PolarHBondContact O-N 3Å; K29-L54 HydrophobicContact CB-CD1 3.87Å; K29-L54 HydrophobicContact CB-CD2 3.63Å; K29-L54 HydrophobicContact CB-CG 3.71Å; K29-L54 HydrophobicContact CG-CD1 4.46Å; K29-L54 HydrophobicContact CG-CD2 4.27Å; I52-L54 HydrophobicContact CG2-CD2 4.32Å; I52-L54 PolarHBondContact O-N 2.84Å; L54-Q56 PolarHBondContact O-N 3.34Å; L54-I106 HydrophobicContact CD1-CG2 4.28Å; L54-I106 HydrophobicContact CD2-CD1 4.06Å; L54-I106 HydrophobicContact CD2-CG2 3.81Å
55	K	93.8	Very high	97.6	Very high	97 Å²	97	46.3 Å²	46.3	42%	0.422	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-67.7	-20.3	172.7	-65.9	178.7	-177	177.6	0	112.6	F22 S24 A27 N53	F22-K55 HydrophobicContact CB-CD 4.19Å; F22-K55 HydrophobicContact CB-CG 3.8Å; F22-K55 HydrophobicContact CD2-CG 4.19Å; F22-K55 HydrophobicContact CG-CG 4.06Å; F22-K55 VanDerWaalsContact O-CE 3.23Å; F22-K55 WeakPolarHBondContact O-CE 3.23Å; F22-K55 PolarHBondContact O-NZ 3.16Å; S24-K55 WeakPolarHBondContact O-CE 3.37Å; S24-K55 PolarHBondContact O-NZ 2.83Å; A27-K55 HydrophobicContact CB-CD 4.49Å; A27-K55 HydrophobicContact CB-CG 3.98Å; N53-K55 PolarHBondContact O-N 2.83Å; N53-K55 WeakPolarHBondContact OD1-CB 3.27Å; N53-K55 PolarHBondContact OD1-N 3.2Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å
56	Q	95.7	Very high	97.6	Very high	132 Å²	132	46 Å²	46	62%	0.617	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-118.7	24.5	-176.4	-61.6	176.5	-10.8	0	0	111.9	N53 L54 K67	N53-Q56 CarbonylContact O-C 3.55Å; N53-Q56 PolarHBondContact O-N 2.91Å; L54-Q56 PolarHBondContact O-N 3.34Å; Q56-K67 WeakPolarHBondContact O-CD 3.35Å; Q56-K67 VanDerWaalsContact O-CE 3.28Å; Q56-K67 WeakPolarHBondContact O-CE 3.35Å; Q56-K67 PolarHBondContact O-NZ 3.5Å
57	C	96.9	Very high	97.6	Very high	25 Å²	25	42.6 Å²	42.6	17%	0.169	23%	0.228	C	C	.	.	S	Bend	trans	-133.1	147.1	-177.9	-173	0	0	0	0	109.8	I52 N53 A64 K67	I52-C57 HydrophobicContact CG2-CB 3.81Å; N53-C57 PolarHBondContact O-N 3.35Å; C57-A64 VanDerWaalsContact SG-CA 3.58Å; C57-K67 HydrophobicContact CB-CD 4.06Å
58	G	97	Very high	97.6	Very high	28 Å²	28	39.6 Å²	39.6	29%	0.289	21%	0.214	S	C	.	.			trans	-63.4	164.5	167.9	0	0	0	0	0	111.8	M60 D63 I106	G58-M60 VanDerWaalsContact C-N 3.3Å; G58-M60 PolarHBondContact O-N 2.87Å; G58-D63 WeakPolarHBondContact CA-OD2 3.49Å; G58-I106 WeakPolarHBondContact O-CD1 3.49Å
59	P	97.7	Very high	97.6	Very high	91 Å²	91	40.1 Å²	40.1	59%	0.591	22%	0.215	S	C	*	.	S	Bend	trans	-76.1	-11.9	-170.3	31	-35.9	0	0	0	114.7	D63 K105 I106	P59-D63 WeakPolarHBondContact CD-OD2 3.29Å; P59-K105 WeakPolarHBondContact O-CA 3.19Å; P59-I106 PolarHBondContact O-N 3.41Å
60	M	98.5	Very high	97.6	Very high	50 Å²	50	42.8 Å²	42.8	25%	0.246	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-103.3	153	-173.3	-52.9	-61.7	-179.1	0	0	111.7	G58 L62 D63 A64 C102 C104 K105	G58-M60 VanDerWaalsContact C-N 3.3Å; G58-M60 PolarHBondContact O-N 2.87Å; M60-L62 PolarHBondContact O-N 3.23Å; M60-D63 WeakPolarHBondContact CB-OD2 3.32Å; M60-D63 PolarHBondContact N-OD2 3.24Å; M60-D63 WeakPolarHBondContact O-CA 3.49Å; M60-D63 VanDerWaalsContact O-CB 3.27Å; M60-D63 WeakPolarHBondContact O-CB 3.47Å; M60-D63 PolarHBondContact O-N 2.89Å; M60-A64 PolarHBondContact O-N 3.45Å; M60-C102 WeakPolarHBondContact CG-O 3.45Å; M60-C104 CarbonylContact C-O 3.52Å; M60-C104 VanDerWaalsContact CA-O 3.29Å; M60-C104 WeakPolarHBondContact CA-O 3.27Å; M60-K105 HydrophobicContact SD-CG 4.04Å
61	V	98.7	Very high	97.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-33.9	178	176.3	0	0	0	0	111.8	F31 D63 A64 L65 I94 A101 C104 I106 E114 V116	F31-V61 HydrophobicContact CE1-CG1 4.19Å; V61-D63 VanDerWaalsContact C-N 3.27Å; V61-D63 PolarHBondContact O-N 2.85Å; V61-A64 PolarHBondContact O-N 3.43Å; V61-L65 HydrophobicContact CG1-CD1 4.28Å; V61-L65 HydrophobicContact CG1-CG 4.33Å; V61-L65 WeakPolarHBondContact O-CG 3.25Å; V61-L65 PolarHBondContact O-N 3.43Å; V61-I94 HydrophobicContact CB-CD1 3.92Å; V61-I94 HydrophobicContact CG1-CD1 3.73Å; V61-I94 HydrophobicContact CG1-CG1 4.46Å; V61-I94 HydrophobicContact CG2-CD1 4.13Å; V61-I94 HydrophobicContact CG2-CG2 4.25Å; V61-A101 HydrophobicContact CB-CB 4.39Å; V61-A101 HydrophobicContact CG1-CB 4.39Å; V61-A101 PolarHBondContact N-O 2.88Å; V61-C104 HydrophobicContact CG2-CB 4.21Å; V61-C104 PolarHBondContact N-O 2.94Å; V61-I106 HydrophobicContact CG2-CG1 4.15Å; V61-E114 WeakPolarHBondContact CG2-OE1 3.28Å; V61-V116 HydrophobicContact CG1-CG2 4.36Å
62	L	98.8	Very high	97.6	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-36	173.9	-178.1	62.3	0	0	0	112.4	M60 A64 L65 I66 F78 R80 A101 C102	M60-L62 PolarHBondContact O-N 3.23Å; L62-A64 VanDerWaalsContact C-N 3.32Å; L62-L65 PolarHBondContact O-N 3.41Å; L62-I66 HydrophobicContact CD1-CD1 4.1Å; L62-I66 HydrophobicContact CD1-CG1 4.17Å; L62-I66 HydrophobicContact CD2-CD1 4.36Å; L62-I66 HydrophobicContact CG-CD1 3.84Å; L62-I66 HydrophobicContact CG-CG1 4.34Å; L62-I66 WeakPolarHBondContact O-CB 3.39Å; L62-I66 WeakPolarHBondContact O-CG1 3.47Å; L62-I66 PolarHBondContact O-N 3.05Å; L62-F78 HydrophobicContact CD1-CD2 4.14Å; L62-F78 HydrophobicContact CD1-CE2 3.74Å; L62-R80 HydrophobicContact CD1-CB 3.81Å; L62-R80 HydrophobicContact CD1-CG 4.29Å; L62-R80 HydrophobicContact CD2-CB 4.1Å; L62-A101 HydrophobicContact CB-CB 3.95Å; L62-A101 PolarHBondContact N-O 3.26Å; L62-C102 HydrophobicContact CB-CB 4.14Å; L62-C102 HydrophobicContact CD2-CB 3.55Å; L62-C102 HydrophobicContact CG-CB 4.49Å
63	D	98.7	Very high	97.7	Very high	55 Å²	55	49.7 Å²	49.7	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-42.7	177.8	-54.9	-43.1	0	0	0	110	G58 P59 M60 V61 I66 K67	G58-D63 WeakPolarHBondContact CA-OD2 3.49Å; P59-D63 WeakPolarHBondContact CD-OD2 3.29Å; M60-D63 WeakPolarHBondContact CB-OD2 3.32Å; M60-D63 PolarHBondContact N-OD2 3.24Å; M60-D63 WeakPolarHBondContact O-CA 3.49Å; M60-D63 VanDerWaalsContact O-CB 3.27Å; M60-D63 WeakPolarHBondContact O-CB 3.47Å; M60-D63 PolarHBondContact O-N 2.89Å; V61-D63 VanDerWaalsContact C-N 3.27Å; V61-D63 PolarHBondContact O-N 2.85Å; D63-I66 PolarHBondContact O-N 3.23Å; D63-K67 WeakPolarHBondContact O-CB 3.47Å; D63-K67 PolarHBondContact O-N 3.29Å
64	A	98.5	Very high	97.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-44.7	174.7	0	0	0	0	0	112.2	F31 C57 M60 V61 L62 I66 K67 I68 I106	F31-A64 HydrophobicContact CD2-CB 4.38Å; F31-A64 HydrophobicContact CE1-CB 3.82Å; F31-A64 HydrophobicContact CE2-CB 3.67Å; F31-A64 HydrophobicContact CZ-CB 3.35Å; C57-A64 VanDerWaalsContact SG-CA 3.58Å; M60-A64 PolarHBondContact O-N 3.45Å; V61-A64 PolarHBondContact O-N 3.43Å; L62-A64 VanDerWaalsContact C-N 3.32Å; A64-I66 PolarHBondContact O-N 2.85Å; A64-K67 PolarHBondContact O-N 2.89Å; A64-I68 VanDerWaalsContact O-CG1 3.27Å; A64-I68 WeakPolarHBondContact O-CG1 3.36Å; A64-I68 PolarHBondContact O-N 2.92Å; A64-I106 HydrophobicContact CB-CD1 3.92Å
65	L	98.8	Very high	98	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-40.5	177.8	-68.3	174.8	0	0	0	112.3	V33 V61 L62 K69 L76 F78 M92 A101 L128	V33-L65 HydrophobicContact CG2-CD2 4.28Å; V61-L65 HydrophobicContact CG1-CD1 4.28Å; V61-L65 HydrophobicContact CG1-CG 4.33Å; V61-L65 WeakPolarHBondContact O-CG 3.25Å; V61-L65 PolarHBondContact O-N 3.43Å; L62-L65 PolarHBondContact O-N 3.41Å; L65-K69 WeakPolarHBondContact O-CB 3.39Å; L65-K69 PolarHBondContact O-N 3.1Å; L65-L76 HydrophobicContact CD2-CD2 4.23Å; L65-F78 HydrophobicContact CB-CD1 4.31Å; L65-F78 HydrophobicContact CB-CE1 3.83Å; L65-F78 HydrophobicContact CB-CE2 4.23Å; L65-F78 HydrophobicContact CB-CZ 3.79Å; L65-F78 WeakPolarHBondContact O-CE1 3.38Å; L65-M92 HydrophobicContact CD1-CE 3.83Å; L65-M92 HydrophobicContact CD1-SD 3.67Å; L65-A101 HydrophobicContact CD1-CB 4.31Å; L65-L128 HydrophobicContact CD1-CD1 4.25Å; L65-L128 HydrophobicContact CD2-CD1 4.24Å
66	I	98.8	Very high	98.3	Very high	57 Å²	57	49.9 Å²	49.9	29%	0.292	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-43.6	174.5	-69.9	170.6	0	0	0	110.4	L62 D63 A64 K69 N70 F78	L62-I66 HydrophobicContact CD1-CD1 4.1Å; L62-I66 HydrophobicContact CD1-CG1 4.17Å; L62-I66 HydrophobicContact CD2-CD1 4.36Å; L62-I66 HydrophobicContact CG-CD1 3.84Å; L62-I66 HydrophobicContact CG-CG1 4.34Å; L62-I66 WeakPolarHBondContact O-CB 3.39Å; L62-I66 WeakPolarHBondContact O-CG1 3.47Å; L62-I66 PolarHBondContact O-N 3.05Å; D63-I66 PolarHBondContact O-N 3.23Å; A64-I66 PolarHBondContact O-N 2.85Å; I66-K69 PolarHBondContact O-N 3.34Å; I66-N70 WeakPolarHBondContact CG2-ND2 3.45Å; I66-N70 WeakPolarHBondContact O-CB 3.36Å; I66-N70 VanDerWaalsContact O-CG 3.24Å; I66-N70 PolarHBondContact O-N 2.91Å; I66-F78 HydrophobicContact CG1-CE2 4.06Å; I66-F78 HydrophobicContact CG1-CZ 3.98Å
67	K	98.6	Very high	98.4	Very high	24 Å²	24	45.5 Å²	45.5	10%	0.104	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-46.8	176.9	-171.4	176.2	177.6	69.6	0	111.9	I52 Q56 C57 D63 A64 K69 N70 E71	I52-K67 HydrophobicContact CD1-CB 4.33Å; I52-K67 HydrophobicContact CD1-CD 4.08Å; I52-K67 HydrophobicContact CD1-CG 4.13Å; I52-K67 HydrophobicContact CG2-CD 4.15Å; Q56-K67 WeakPolarHBondContact O-CD 3.35Å; Q56-K67 VanDerWaalsContact O-CE 3.28Å; Q56-K67 WeakPolarHBondContact O-CE 3.35Å; Q56-K67 PolarHBondContact O-NZ 3.5Å; C57-K67 HydrophobicContact CB-CD 4.06Å; D63-K67 WeakPolarHBondContact O-CB 3.47Å; D63-K67 PolarHBondContact O-N 3.29Å; A64-K67 PolarHBondContact O-N 2.89Å; K67-K69 VanDerWaalsContact C-N 3.32Å; K67-K69 PolarHBondContact O-N 2.98Å; K67-N70 PolarHBondContact O-N 3.35Å; K67-E71 WeakPolarHBondContact CE-OE2 3.4Å; K67-E71 HydrophobicContact CG-CG 4.4Å; K67-E71 WeakPolarHBondContact CG-OE2 3Å; K67-E71 IonicContact NZ-OE1 2.9Å; K67-E71 PolarHBondContact NZ-OE1 3.38Å; K67-E71 IonicContact NZ-OE2 2.84Å; K67-E71 PolarHBondContact NZ-OE2 2.81Å; K67-E71 WeakPolarHBondContact O-CB 3.49Å; K67-E71 PolarHBondContact O-N 2.81Å
68	I	98.7	Very high	98.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55	-50	174	-68.2	164.3	0	0	0	110	F31 Y50 I52 A64 N70 Q72 D73 L76	F31-I68 HydrophobicContact CB-CD1 4.15Å; F31-I68 HydrophobicContact CG-CD1 4.38Å; Y50-I68 HydrophobicContact CD1-CG1 4.44Å; Y50-I68 HydrophobicContact CD1-CG2 3.4Å; Y50-I68 HydrophobicContact CD2-CD1 4Å; Y50-I68 HydrophobicContact CD2-CG2 4.04Å; Y50-I68 HydrophobicContact CE1-CG2 3.48Å; Y50-I68 VanDerWaalsContact CE1-CG2 3.48Å; Y50-I68 HydrophobicContact CE2-CG2 4.11Å; Y50-I68 HydrophobicContact CG-CD1 3.89Å; Y50-I68 HydrophobicContact CG-CG1 4.09Å; Y50-I68 HydrophobicContact CG-CG2 3.67Å; I52-I68 HydrophobicContact CD1-CD1 4.4Å; I52-I68 HydrophobicContact CD1-CG1 3.53Å; I52-I68 HydrophobicContact CG1-CD1 4.22Å; I52-I68 HydrophobicContact CG1-CG1 3.88Å; A64-I68 VanDerWaalsContact O-CG1 3.27Å; A64-I68 WeakPolarHBondContact O-CG1 3.36Å; A64-I68 PolarHBondContact O-N 2.92Å; I68-N70 PolarHBondContact O-N 2.84Å; I68-Q72 HydrophobicContact CG2-CB 4.5Å; I68-Q72 WeakPolarHBondContact O-CA 3.3Å; I68-Q72 WeakPolarHBondContact O-CB 3.37Å; I68-Q72 PolarHBondContact O-N 2.88Å; I68-D73 PolarHBondContact O-N 3.02Å; I68-L76 HydrophobicContact CB-CD2 3.97Å; I68-L76 HydrophobicContact CG2-CD2 3.53Å
69	K	98.8	Very high	98.6	Very high	66 Å²	66	48.3 Å²	48.3	29%	0.287	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-41.2	-178.5	-172.4	178.2	179.6	62.3	0	112.8	L65 I66 K67 D73 A74 L76 F78	L65-K69 WeakPolarHBondContact O-CB 3.39Å; L65-K69 PolarHBondContact O-N 3.1Å; I66-K69 PolarHBondContact O-N 3.34Å; K67-K69 VanDerWaalsContact C-N 3.32Å; K67-K69 PolarHBondContact O-N 2.98Å; K69-D73 WeakPolarHBondContact CA-O 3.4Å; K69-D73 CarbonylContact O-C 3.59Å; K69-A74 PolarHBondContact NZ-O 2.96Å; K69-A74 VanDerWaalsContact O-CA 3.25Å; K69-A74 WeakPolarHBondContact O-CA 3.32Å; K69-A74 PolarHBondContact O-N 3.37Å; K69-L76 WeakPolarHBondContact CD-O 3.44Å; K69-L76 PolarHBondContact NZ-O 2.74Å; K69-F78 HydrophobicContact CB-CE1 4.18Å; K69-F78 HydrophobicContact CB-CZ 4.46Å; K69-F78 HydrophobicContact CD-CE1 4.15Å; K69-F78 HydrophobicContact CD-CZ 4.33Å
70	N	98.7	Very high	98.6	Very high	121 Å²	121	50.6 Å²	50.6	65%	0.647	26%	0.255	S	S	*	.	H	α-helix	trans	-78.8	-32.9	-175.2	-70	-6.4	0	0	0	113	I66 K67 I68	I66-N70 WeakPolarHBondContact CG2-ND2 3.45Å; I66-N70 WeakPolarHBondContact O-CB 3.36Å; I66-N70 VanDerWaalsContact O-CG 3.24Å; I66-N70 PolarHBondContact O-N 2.91Å; K67-N70 PolarHBondContact O-N 3.35Å; I68-N70 PolarHBondContact O-N 2.84Å
71	E	98.4	Very high	98.7	Very high	122 Å²	122	52.4 Å²	52.4	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-116.9	-19	-166.8	-59.6	176.1	-164.8	0	0	114.4	K67	K67-E71 WeakPolarHBondContact CE-OE2 3.4Å; K67-E71 HydrophobicContact CG-CG 4.4Å; K67-E71 WeakPolarHBondContact CG-OE2 3Å; K67-E71 IonicContact NZ-OE1 2.9Å; K67-E71 PolarHBondContact NZ-OE1 3.38Å; K67-E71 IonicContact NZ-OE2 2.84Å; K67-E71 PolarHBondContact NZ-OE2 2.81Å; K67-E71 WeakPolarHBondContact O-CB 3.49Å; K67-E71 PolarHBondContact O-N 2.81Å
72	Q	98.2	Very high	98.6	Very high	91 Å²	91	53.1 Å²	53.1	43%	0.425	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-45.1	-174	-57.6	-175.7	24.1	0	0	113.3	Y50 N51 I52 I68	Y50-Q72 HydrophobicContact CD1-CB 4.49Å; N51-Q72 PolarHBondContact O-NE2 3.44Å; I52-Q72 VanDerWaalsContact CD1-NE2 3.32Å; I68-Q72 HydrophobicContact CG2-CB 4.5Å; I68-Q72 WeakPolarHBondContact O-CA 3.3Å; I68-Q72 WeakPolarHBondContact O-CB 3.37Å; I68-Q72 PolarHBondContact O-N 2.88Å
73	D	98.5	Very high	98.6	Very high	22 Å²	22	60.8 Å²	60.8	12%	0.118	31%	0.306	C	S	.	.			trans	-152.4	93.6	-173.1	-179	3	0	0	0	112.1	R35 Q48 Y50 I68 K69 T75 L76	R35-D73 IonicContact CZ-OD2 3.63Å; R35-D73 IonicContact NH1-OD2 3.64Å; R35-D73 PolarHBondContact NH1-OD2 3.46Å; R35-D73 IonicContact NH2-OD2 3.64Å; Q48-D73 PolarHBondContact NE2-OD2 3.28Å; Y50-D73 HydrophobicContact CE1-CB 3.7Å; Y50-D73 PolarHBondContact OH-OD2 2.96Å; I68-D73 PolarHBondContact O-N 3.02Å; K69-D73 WeakPolarHBondContact CA-O 3.4Å; K69-D73 CarbonylContact O-C 3.59Å; D73-T75 PolarHBondContact O-N 3.32Å; D73-T75 WeakPolarHBondContact OD1-CA 3.5Å; D73-T75 VanDerWaalsContact OD1-CB 3.27Å; D73-T75 WeakPolarHBondContact OD1-CB 3.49Å; D73-T75 WeakPolarHBondContact OD1-CG2 3.27Å; D73-T75 PolarHBondContact OD1-N 3.45Å; D73-T75 PolarHBondContact OD1-OG1 3.1Å; D73-T75 PolarHBondContact OD2-OG1 2.93Å; D73-L76 WeakPolarHBondContact O-CB 3.48Å; D73-L76 PolarHBondContact O-N 2.72Å
74	A	98.4	Very high	98.6	Very high	76 Å²	76	62.7 Å²	62.7	63%	0.628	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-13	178.1	0	0	0	0	0	114	K69	K69-A74 PolarHBondContact NZ-O 2.96Å; K69-A74 VanDerWaalsContact O-CA 3.25Å; K69-A74 WeakPolarHBondContact O-CA 3.32Å; K69-A74 PolarHBondContact O-N 3.37Å
75	T	98.5	Very high	98.6	Very high	83 Å²	83	62.9 Å²	62.9	51%	0.509	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.8	178.7	77.1	0	0	0	0	113.1	R35 D73 T77	R35-T75 PolarHBondContact NH2-O 3.27Å; R35-T75 PolarHBondContact NH2-OG1 2.87Å; D73-T75 PolarHBondContact O-N 3.32Å; D73-T75 WeakPolarHBondContact OD1-CA 3.5Å; D73-T75 VanDerWaalsContact OD1-CB 3.27Å; D73-T75 WeakPolarHBondContact OD1-CB 3.49Å; D73-T75 WeakPolarHBondContact OD1-CG2 3.27Å; D73-T75 PolarHBondContact OD1-N 3.45Å; D73-T75 PolarHBondContact OD1-OG1 3.1Å; D73-T75 PolarHBondContact OD2-OG1 2.93Å; T75-T77 PolarHBondContact O-N 3.37Å; T75-T77 PolarHBondContact O-OG1 2.91Å
76	L	98.8	Very high	98.5	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.338	C	S	.	.			trans	-58.6	122.2	177.4	175.4	61.7	0	0	0	110.7	V33 L65 I68 K69 D73 F78	V33-L76 HydrophobicContact CG1-CD1 3.82Å; L65-L76 HydrophobicContact CD2-CD2 4.23Å; I68-L76 HydrophobicContact CB-CD2 3.97Å; I68-L76 HydrophobicContact CG2-CD2 3.53Å; K69-L76 WeakPolarHBondContact CD-O 3.44Å; K69-L76 PolarHBondContact NZ-O 2.74Å; D73-L76 WeakPolarHBondContact O-CB 3.48Å; D73-L76 PolarHBondContact O-N 2.72Å; L76-F78 HydrophobicContact CD2-CD1 4.34Å; L76-F78 HydrophobicContact CD2-CE1 4.09Å; L76-F78 HydrophobicContact CG-CD1 3.99Å; L76-F78 HydrophobicContact CG-CE1 4.06Å
77	T	98.9	Very high	98.5	Very high	40 Å²	40	66.9 Å²	66.9	25%	0.245	34%	0.339	C	S	.	.			trans	-118.7	128.3	-172.5	-53	0	0	0	0	112.3	T75 K126 D127 L128 V129	T75-T77 PolarHBondContact O-N 3.37Å; T75-T77 PolarHBondContact O-OG1 2.91Å; T77-K126 HydrophobicContact CG2-CD 4.45Å; T77-K126 HydrophobicContact CG2-CG 4.48Å; T77-D127 PolarHBondContact N-OD2 3.32Å; T77-D127 WeakPolarHBondContact O-CB 3.19Å; T77-L128 PolarHBondContact O-N 2.57Å; T77-L128 VanDerWaalsContact O-N 3.15Å; T77-V129 HydrophobicContact CG2-CG2 3.88Å
78	F	98.9	Very high	98.5	Very high	20 Å²	20	66.1 Å²	66.1	9%	0.088	34%	0.338	C	S	.	.			trans	-155.5	158.9	177.1	52.8	-90.4	0	0	0	110.9	L62 L65 I66 K69 L76 R80 L128	L62-F78 HydrophobicContact CD1-CD2 4.14Å; L62-F78 HydrophobicContact CD1-CE2 3.74Å; L65-F78 HydrophobicContact CB-CD1 4.31Å; L65-F78 HydrophobicContact CB-CE1 3.83Å; L65-F78 HydrophobicContact CB-CE2 4.23Å; L65-F78 HydrophobicContact CB-CZ 3.79Å; L65-F78 WeakPolarHBondContact O-CE1 3.38Å; I66-F78 HydrophobicContact CG1-CE2 4.06Å; I66-F78 HydrophobicContact CG1-CZ 3.98Å; K69-F78 HydrophobicContact CB-CE1 4.18Å; K69-F78 HydrophobicContact CB-CZ 4.46Å; K69-F78 HydrophobicContact CD-CE1 4.15Å; K69-F78 HydrophobicContact CD-CZ 4.33Å; L76-F78 HydrophobicContact CD2-CD1 4.34Å; L76-F78 HydrophobicContact CD2-CE1 4.09Å; L76-F78 HydrophobicContact CG-CD1 3.99Å; L76-F78 HydrophobicContact CG-CE1 4.06Å; F78-R80 HydrophobicContact CD2-CB 4.41Å; F78-R80 HydrophobicContact CE2-CB 4.46Å; F78-R80 HydrophobicContact CE2-CG 4.23Å; F78-L128 HydrophobicContact CB-CB 4.01Å; F78-L128 HydrophobicContact CB-CD1 4.18Å
79	R	98.9	Very high	98.5	Very high	92 Å²	92	68.4 Å²	68.4	35%	0.347	35%	0.354	S	S	.	.			trans	-89.5	137.2	175.3	-66.8	-167.5	-175.1	98.2	-4.3	111.1	S89 C90 V129 P130	R79-S89 VanDerWaalsContact CB-O 3.29Å; R79-S89 WeakPolarHBondContact CB-O 3.37Å; R79-C90 VanDerWaalsContact O-CA 3.31Å; R79-C90 WeakPolarHBondContact O-CA 3.45Å; R79-C90 WeakPolarHBondContact O-CB 3.42Å; R79-V129 HydrophobicContact CG-CG1 4.23Å; R79-V129 HydrophobicContact CG-CG2 4.37Å; R79-V129 VanDerWaalsContact NH1-CG1 3.31Å; R79-P130 PolarHBondContact NH1-O 3.29Å; R79-P130 PolarHBondContact NH2-O 2.82Å
80	R	98.7	Very high	98.5	Very high	139 Å²	139	65.5 Å²	65.5	53%	0.525	34%	0.342	S	S	.	.			trans	-160	151.5	173.4	80.9	-60.6	173.7	-83.7	-0.2	110.9	L62 F78 C90	L62-R80 HydrophobicContact CD1-CB 3.81Å; L62-R80 HydrophobicContact CD1-CG 4.29Å; L62-R80 HydrophobicContact CD2-CB 4.1Å; F78-R80 HydrophobicContact CD2-CB 4.41Å; F78-R80 HydrophobicContact CE2-CB 4.46Å; F78-R80 HydrophobicContact CE2-CG 4.23Å; R80-C90 HydrophobicContact CB-CB 4.49Å
81	S	98.7	Very high	98.5	Very high	89 Å²	89	60.2 Å²	60.2	62%	0.622	32%	0.315	S	S	*	.	S	Bend	trans	-149.9	-76.1	173.8	-178.7	0	0	0	0	112.1	R83	S81-R83 PolarHBondContact O-N 3.25Å
82	C	98.4	Very high	98.6	Very high	15 Å²	15	54.5 Å²	54.5	10%	0.101	29%	0.288	C	S	.	.			trans	-71.8	-16.7	-167.3	74.2	0	0	0	0	117.4	E84 I86 C87	C82-E84 HydrophobicContact CB-CG 4.13Å; C82-E84 VanDerWaalsContact O-CD 3.32Å; C82-E84 WeakPolarHBondContact O-CG 3.38Å; C82-E84 PolarHBondContact O-N 2.8Å; C82-E84 PolarHBondContact SG-N 2.71Å; C82-I86 HydrophobicContact CB-CG2 3.71Å; C82-I86 PolarHBondContact SG-N 3.05Å; C82-I86 VanDerWaalsContact SG-N 3.4Å; C82-C87 HydrophobicContact CB-CB 3.82Å; C82-C87 PolarHBondContact SG-N 2.86Å; C82-C87 VanDerWaalsContact SG-N 3.35Å; C82-C87 PolarHBondContact SG-SG 2.9Å
83	R	97.5	Very high	98.6	Very high	164 Å²	164	50.9 Å²	50.9	62%	0.619	27%	0.272	S	S	*	.	S	Bend	trans	51.4	16.3	-175.2	54.7	66	-149.4	152.3	20.2	117.9	S81	S81-R83 PolarHBondContact O-N 3.25Å
84	E	98.4	Very high	98.6	Very high	95 Å²	95	50.1 Å²	50.1	44%	0.444	27%	0.268	S	S	.	.	S	Bend	trans	-140.6	12.6	-174.5	69.3	-147.1	136.1	0	0	114.4	C82 I86	C82-E84 HydrophobicContact CB-CG 4.13Å; C82-E84 VanDerWaalsContact O-CD 3.32Å; C82-E84 WeakPolarHBondContact O-CG 3.38Å; C82-E84 PolarHBondContact O-N 2.8Å; C82-E84 PolarHBondContact SG-N 2.71Å; E84-I86 HydrophobicContact CG-CB 4.32Å; E84-I86 HydrophobicContact CG-CG2 3.75Å
85	G	98.4	Very high	98.6	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	26%	0.258	C	S	.	.	S	Bend	trans	76.1	26.3	174.8	0	0	0	0	0	115.5	C102 K244	G85-C102 PolarHBondContact N-SG 3.18Å; G85-K244 PolarHBondContact O-NZ 2.86Å
86	I	98.5	Very high	98.6	Very high	95 Å²	95	49.2 Å²	49.2	49%	0.487	26%	0.264	S	S	.	.	S	Bend	trans	-109.6	-30.5	179	-162.1	60.7	0	0	0	114.7	C82 E84 I176	C82-I86 HydrophobicContact CB-CG2 3.71Å; C82-I86 PolarHBondContact SG-N 3.05Å; C82-I86 VanDerWaalsContact SG-N 3.4Å; E84-I86 HydrophobicContact CG-CB 4.32Å; E84-I86 HydrophobicContact CG-CG2 3.75Å; I86-I176 HydrophobicContact CD1-CG2 4.3Å; I86-I176 WeakPolarHBondContact O-CB 3.5Å; I86-I176 WeakPolarHBondContact O-CG2 3.35Å
87	C	98.4	Very high	98.5	Very high	47 Å²	47	53.7 Å²	53.7	32%	0.318	29%	0.285	S	S	.	.	S	Bend	trans	-86.4	-16.5	-176.4	71.9	0	0	0	0	115.7	C82 S89	C82-C87 HydrophobicContact CB-CB 3.82Å; C82-C87 PolarHBondContact SG-N 2.86Å; C82-C87 VanDerWaalsContact SG-N 3.35Å; C82-C87 PolarHBondContact SG-SG 2.9Å; C87-S89 PolarHBondContact O-N 3.49Å; C87-S89 PolarHBondContact SG-N 3.47Å; C87-S89 VanDerWaalsContact SG-N 3.45Å; C87-S89 PolarHBondContact SG-OG 2.85Å
88	G	98.6	Very high	98.5	Very high	8 Å²	8	52.1 Å²	52.1	8%	0.082	28%	0.275	C	S	.	.			trans	74	-4.7	-177.5	0	0	0	0	0	117	C90	G88-C90 PolarHBondContact O-N 2.83Å
89	S	98.8	Very high	98.5	Very high	48 Å²	48	52.5 Å²	52.5	34%	0.336	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-32.9	-170.4	-47.8	0	0	0	0	115.8	R79 C87 A91	R79-S89 VanDerWaalsContact CB-O 3.29Å; R79-S89 WeakPolarHBondContact CB-O 3.37Å; C87-S89 PolarHBondContact O-N 3.49Å; C87-S89 PolarHBondContact SG-N 3.47Å; C87-S89 VanDerWaalsContact SG-N 3.45Å; C87-S89 PolarHBondContact SG-OG 2.85Å; S89-A91 VanDerWaalsContact C-N 3.28Å; S89-A91 PolarHBondContact O-N 3.13Å
90	C	98.8	Very high	98.5	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.027	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	29.8	-174.3	65	0	0	0	0	113.4	R79 R80 G88 M92 A101 C102	R79-C90 VanDerWaalsContact O-CA 3.31Å; R79-C90 WeakPolarHBondContact O-CA 3.45Å; R79-C90 WeakPolarHBondContact O-CB 3.42Å; R80-C90 HydrophobicContact CB-CB 4.49Å; G88-C90 PolarHBondContact O-N 2.83Å; C90-M92 HydrophobicContact CB-CE 4.4Å; C90-M92 PolarHBondContact O-N 3.11Å; C90-A101 HydrophobicContact CB-CB 4.3Å; C90-A101 PolarHBondContact O-N 3.43Å; C90-A101 VanDerWaalsContact O-N 3.11Å; C90-C102 PolarHBondContact SG-SG 3.21Å
91	A	98.9	Very high	98.5	Very high	10 Å²	10	41.5 Å²	41.5	8%	0.083	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	124.6	173.7	0	0	0	0	0	110.5	S89 T99 L100 L119 C178	S89-A91 VanDerWaalsContact C-N 3.28Å; S89-A91 PolarHBondContact O-N 3.13Å; A91-T99 WeakPolarHBondContact CA-O 3.44Å; A91-L100 HydrophobicContact CB-CD2 4.04Å; A91-L119 HydrophobicContact CB-CD1 4.03Å; A91-L119 HydrophobicContact CB-CD2 4.13Å; A91-L119 HydrophobicContact CB-CG 4.38Å; A91-C178 HydrophobicContact CB-CB 4.07Å; A91-C178 WeakPolarHBondContact CB-O 3.38Å
92	M	98.9	Very high	98.5	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	173.4	179.9	60.5	-173.7	73.7	0	0	110	L65 C90 I94 N98 T99 A101 V116 Y117 L128	L65-M92 HydrophobicContact CD1-CE 3.83Å; L65-M92 HydrophobicContact CD1-SD 3.67Å; C90-M92 HydrophobicContact CB-CE 4.4Å; C90-M92 PolarHBondContact O-N 3.11Å; M92-I94 HydrophobicContact CG-CD1 3.98Å; M92-I94 HydrophobicContact CG-CG1 3.85Å; M92-I94 HydrophobicContact SD-CD1 4.35Å; M92-I94 HydrophobicContact SD-CG1 4.4Å; M92-N98 WeakPolarHBondContact O-CA 3.34Å; M92-T99 PolarHBondContact N-O 2.88Å; M92-T99 VanDerWaalsContact N-O 3.08Å; M92-T99 PolarHBondContact O-N 3.38Å; M92-A101 HydrophobicContact CE-CB 3.71Å; M92-A101 HydrophobicContact CG-CB 4.3Å; M92-A101 HydrophobicContact SD-CB 3.78Å; M92-V116 HydrophobicContact CG-CG1 4.38Å; M92-V116 HydrophobicContact SD-CG1 3.52Å; M92-V116 VanDerWaalsContact SD-CG1 3.52Å; M92-Y117 WeakPolarHBondContact CB-O 3.14Å; M92-L128 HydrophobicContact CE-CD1 4.43Å; M92-L128 HydrophobicContact SD-CD1 4.14Å
93	N	98.9	Very high	98.5	Very high	16 Å²	16	39.9 Å²	39.9	9%	0.086	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.2	175.2	-173.1	-81.9	0	0	0	109.5	G96 Q97 N98 V116 Y117 P120	N93-G96 PolarHBondContact ND2-O 3.45Å; N93-G96 VanDerWaalsContact ND2-O 3.1Å; N93-G96 WeakPolarHBondContact OD1-CA 3.27Å; N93-G96 PolarHBondContact OD1-N 2.83Å; N93-Q97 WeakPolarHBondContact CA-O 3.33Å; N93-N98 PolarHBondContact ND2-OD1 2.92Å; N93-V116 WeakPolarHBondContact O-CA 3.29Å; N93-Y117 PolarHBondContact N-O 3.38Å; N93-Y117 PolarHBondContact O-N 3.34Å; N93-P120 HydrophobicContact CB-CG 4.4Å
94	I	98.8	Very high	98.6	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122.8	-179	-57.7	173.8	0	0	0	107.5	V61 M92 G96 Q97 T99 A101 C104 E114 K115	V61-I94 HydrophobicContact CB-CD1 3.92Å; V61-I94 HydrophobicContact CG1-CD1 3.73Å; V61-I94 HydrophobicContact CG1-CG1 4.46Å; V61-I94 HydrophobicContact CG2-CD1 4.13Å; V61-I94 HydrophobicContact CG2-CG2 4.25Å; M92-I94 HydrophobicContact CG-CD1 3.98Å; M92-I94 HydrophobicContact CG-CG1 3.85Å; M92-I94 HydrophobicContact SD-CD1 4.35Å; M92-I94 HydrophobicContact SD-CG1 4.4Å; I94-G96 PolarHBondContact O-N 3.47Å; I94-G96 VanDerWaalsContact O-N 3.11Å; I94-Q97 PolarHBondContact N-O 3.26Å; I94-Q97 PolarHBondContact O-N 3.4Å; I94-T99 HydrophobicContact CB-CG2 4.14Å; I94-T99 HydrophobicContact CD1-CG2 3.78Å; I94-T99 HydrophobicContact CG1-CG2 4.16Å; I94-A101 HydrophobicContact CD1-CB 4.06Å; I94-C104 HydrophobicContact CD1-CB 3.9Å; I94-E114 HydrophobicContact CG2-CG 4.16Å; I94-E114 WeakPolarHBondContact CG2-OE1 3.18Å; I94-K115 WeakPolarHBondContact CA-O 3.1Å
95	N	97.8	Very high	98.6	Very high	79 Å²	79	35.7 Å²	35.7	42%	0.422	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	35.4	-177.5	-62.8	-32.9	0	0	0	113.5	E114 K115	N95-E114 WeakPolarHBondContact OD1-CA 3.08Å; N95-K115 PolarHBondContact N-O 3.16Å; N95-K115 PolarHBondContact OD1-N 2.91Å
96	G	97.8	Very high	98.6	Very high	61 Å²	61	36.6 Å²	36.6	63%	0.629	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.6	-6.9	179	0	0	0	0	0	115	N93 I94	N93-G96 PolarHBondContact ND2-O 3.45Å; N93-G96 VanDerWaalsContact ND2-O 3.1Å; N93-G96 WeakPolarHBondContact OD1-CA 3.27Å; N93-G96 PolarHBondContact OD1-N 2.83Å; I94-G96 PolarHBondContact O-N 3.47Å; I94-G96 VanDerWaalsContact O-N 3.11Å
97	Q	98.3	Very high	98.4	Very high	93 Å²	93	34.8 Å²	34.8	44%	0.435	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.2	179.3	-171.6	170.4	15.2	0	0	112	N93 I94 T99 K240	N93-Q97 WeakPolarHBondContact CA-O 3.33Å; I94-Q97 PolarHBondContact N-O 3.26Å; I94-Q97 PolarHBondContact O-N 3.4Å; Q97-T99 PolarHBondContact O-N 2.87Å; Q97-K240 PolarHBondContact NE2-O 2.73Å
98	N	98.9	Very high	97.9	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	128.6	171.7	-63.9	-3.4	0	0	0	109.7	M92 N93 L119 P120 C180 T183 S184 A241	M92-N98 WeakPolarHBondContact O-CA 3.34Å; N93-N98 PolarHBondContact ND2-OD1 2.92Å; N98-L119 HydrophobicContact CB-CD2 4.37Å; N98-P120 WeakPolarHBondContact OD1-CD 3.21Å; N98-P120 WeakPolarHBondContact OD1-CG 3.31Å; N98-C180 HydrophobicContact CB-CB 3.92Å; N98-C180 PolarHBondContact ND2-O 3.37Å; N98-T183 PolarHBondContact ND2-O 3.36Å; N98-T183 PolarHBondContact ND2-OG1 3.15Å; N98-S184 PolarHBondContact ND2-N 3.11Å; N98-A241 HydrophobicContact CB-CB 4.35Å
99	T	98.8	Very high	97.6	Very high	28 Å²	28	39.8 Å²	39.8	17%	0.172	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	-176.8	178.6	-169.8	0	0	0	0	110.1	A91 M92 I94 Q97 C104	A91-T99 WeakPolarHBondContact CA-O 3.44Å; M92-T99 PolarHBondContact N-O 2.88Å; M92-T99 VanDerWaalsContact N-O 3.08Å; M92-T99 PolarHBondContact O-N 3.38Å; I94-T99 HydrophobicContact CB-CG2 4.14Å; I94-T99 HydrophobicContact CD1-CG2 3.78Å; I94-T99 HydrophobicContact CG1-CG2 4.16Å; Q97-T99 PolarHBondContact O-N 2.87Å; T99-C104 HydrophobicContact CG2-CB 3.74Å
100	L	98.9	Very high	97.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.3	171.6	-52.2	177.7	0	0	0	109.3	A91 C102 T103 C104 I176 C178 P243	A91-L100 HydrophobicContact CB-CD2 4.04Å; L100-C102 PolarHBondContact O-N 2.94Å; L100-C102 VanDerWaalsContact O-N 3.13Å; L100-T103 PolarHBondContact O-N 3.45Å; L100-T103 VanDerWaalsContact O-N 3.1Å; L100-T103 PolarHBondContact O-OG1 2.91Å; L100-C104 WeakPolarHBondContact O-CB 3.12Å; L100-C104 PolarHBondContact O-N 3.22Å; L100-I176 HydrophobicContact CD1-CD1 3.63Å; L100-I176 HydrophobicContact CD2-CD1 4.37Å; L100-C178 HydrophobicContact CD2-CB 3.92Å; L100-P243 HydrophobicContact CD1-CB 3.96Å; L100-P243 HydrophobicContact CD1-CG 3.93Å; L100-P243 HydrophobicContact CD2-CG 4.13Å; L100-P243 HydrophobicContact CG-CB 3.72Å; L100-P243 HydrophobicContact CG-CG 3.69Å
101	A	98.9	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.6	179.8	0	0	0	0	0	113.3	V61 L62 L65 C90 M92 I94 T103	V61-A101 HydrophobicContact CB-CB 4.39Å; V61-A101 HydrophobicContact CG1-CB 4.39Å; V61-A101 PolarHBondContact N-O 2.88Å; L62-A101 HydrophobicContact CB-CB 3.95Å; L62-A101 PolarHBondContact N-O 3.26Å; L65-A101 HydrophobicContact CD1-CB 4.31Å; C90-A101 HydrophobicContact CB-CB 4.3Å; C90-A101 PolarHBondContact O-N 3.43Å; C90-A101 VanDerWaalsContact O-N 3.11Å; M92-A101 HydrophobicContact CE-CB 3.71Å; M92-A101 HydrophobicContact CG-CB 4.3Å; M92-A101 HydrophobicContact SD-CB 3.78Å; I94-A101 HydrophobicContact CD1-CB 4.06Å; A101-T103 VanDerWaalsContact C-N 3.26Å; A101-T103 PolarHBondContact O-N 3.35Å
102	C	98.7	Very high	96.9	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.054	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.9	-179.2	65.8	0	0	0	0	115.3	M60 L62 G85 C90 L100	M60-C102 WeakPolarHBondContact CG-O 3.45Å; L62-C102 HydrophobicContact CB-CB 4.14Å; L62-C102 HydrophobicContact CD2-CB 3.55Å; L62-C102 HydrophobicContact CG-CB 4.49Å; G85-C102 PolarHBondContact N-SG 3.18Å; C90-C102 PolarHBondContact SG-SG 3.21Å; L100-C102 PolarHBondContact O-N 2.94Å; L100-C102 VanDerWaalsContact O-N 3.13Å
103	T	98.5	Very high	96.8	Very high	62 Å²	62	54.4 Å²	54.4	38%	0.38	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	2.6	177.6	59.3	0	0	0	0	112.2	L100 A101	L100-T103 PolarHBondContact O-N 3.45Å; L100-T103 VanDerWaalsContact O-N 3.1Å; L100-T103 PolarHBondContact O-OG1 2.91Å; A101-T103 VanDerWaalsContact C-N 3.26Å; A101-T103 PolarHBondContact O-N 3.35Å
104	C	98.4	Very high	96.7	Very high	25 Å²	25	53.7 Å²	53.7	17%	0.169	29%	0.292	C	S	.	.	S	Bend	trans	-87.6	114.8	172.3	-174.3	0	0	0	0	107.9	M60 V61 I94 T99 L100	M60-C104 CarbonylContact C-O 3.52Å; M60-C104 VanDerWaalsContact CA-O 3.29Å; M60-C104 WeakPolarHBondContact CA-O 3.27Å; V61-C104 HydrophobicContact CG2-CB 4.21Å; V61-C104 PolarHBondContact N-O 2.94Å; I94-C104 HydrophobicContact CD1-CB 3.9Å; T99-C104 HydrophobicContact CG2-CB 3.74Å; L100-C104 WeakPolarHBondContact O-CB 3.12Å; L100-C104 PolarHBondContact O-N 3.22Å
105	K	98.2	Very high	96.7	Very high	146 Å²	146	57.7 Å²	57.7	64%	0.635	31%	0.31	S	S	*	.	B	Isolated β-bridge	trans	-67.8	139.7	174.7	-68.3	-176.1	179.6	178.5	0	109.4	P59 M60 D107	P59-K105 WeakPolarHBondContact O-CA 3.19Å; M60-K105 HydrophobicContact SD-CG 4.04Å; K105-D107 PolarHBondContact O-N 3.21Å
106	I	98.2	Very high	96.8	Very high	22 Å²	22	54 Å²	54	11%	0.113	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-60.5	135.2	169.6	-60.9	172.1	0	0	0	108.5	K29 F31 L54 G58 P59 V61 A64 D108 E114	K29-I106 HydrophobicContact CG-CG2 4.19Å; F31-I106 HydrophobicContact CZ-CD1 4.06Å; F31-I106 HydrophobicContact CZ-CG1 4.04Å; F31-I106 HydrophobicContact CZ-CG2 3.93Å; L54-I106 HydrophobicContact CD1-CG2 4.28Å; L54-I106 HydrophobicContact CD2-CD1 4.06Å; L54-I106 HydrophobicContact CD2-CG2 3.81Å; G58-I106 WeakPolarHBondContact O-CD1 3.49Å; P59-I106 PolarHBondContact O-N 3.41Å; V61-I106 HydrophobicContact CG2-CG1 4.15Å; A64-I106 HydrophobicContact CB-CD1 3.92Å; I106-D108 PolarHBondContact O-N 3.18Å; I106-E114 WeakPolarHBondContact CG2-OE2 3.38Å
107	D	95	Very high	96.8	Very high	58 Å²	58	54.9 Å²	54.9	31%	0.31	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-70.4	120.6	173.9	-178.5	-10.3	0	0	0	109.3	K29 K105 N109 E114	K29-D107 VanDerWaalsContact CE-O 3.25Å; K29-D107 WeakPolarHBondContact CE-O 3.4Å; K29-D107 PolarHBondContact NZ-O 3.1Å; K105-D107 PolarHBondContact O-N 3.21Å; D107-N109 PolarHBondContact O-N 3.13Å; D107-N109 WeakPolarHBondContact OD1-CB 3.44Å; D107-N109 PolarHBondContact OD1-N 3.13Å; D107-E114 PolarHBondContact N-OE2 2.98Å; D107-E114 VanDerWaalsContact N-OE2 3.16Å
108	D	87.5	Confident	96.9	Very high	104 Å²	104	51 Å²	51	56%	0.556	26%	0.257	S	S	*	.			trans	-74	-7.1	-178.1	57.4	10.5	0	0	0	113.6	I106 I110	I106-D108 PolarHBondContact O-N 3.18Å; D108-I110 PolarHBondContact O-N 3.11Å
109	N	93.3	Very high	96.9	Very high	56 Å²	56	50.8 Å²	50.8	30%	0.299	26%	0.256	S	S	.	.			trans	-71.9	91.2	170.4	-171.6	-10.6	0	0	0	111.4	K29 D107 N111 K112	K29-N109 PolarHBondContact NZ-O 3.44Å; D107-N109 PolarHBondContact O-N 3.13Å; D107-N109 WeakPolarHBondContact OD1-CB 3.44Å; D107-N109 PolarHBondContact OD1-N 3.13Å; N109-N111 PolarHBondContact O-N 3Å; N109-N111 VanDerWaalsContact O-N 3.14Å; N109-N111 WeakPolarHBondContact OD1-CB 3.34Å; N109-N111 PolarHBondContact OD1-N 2.88Å; N109-N111 VanDerWaalsContact OD1-N 3.16Å; N109-K112 PolarHBondContact O-N 2.86Å; N109-K112 VanDerWaalsContact O-N 3.15Å
110	I	92.9	Very high	96.9	Very high	61 Å²	61	51.1 Å²	51.1	31%	0.313	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21	179.3	62.1	172.1	0	0	0	113.9	D108 K112	D108-I110 PolarHBondContact O-N 3.11Å; I110-K112 VanDerWaalsContact C-N 3.25Å; I110-K112 PolarHBondContact O-N 2.86Å
111	N	92.8	Very high	96.8	Very high	142 Å²	142	56.8 Å²	56.8	76%	0.759	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-6.8	-179.9	-60.1	-44.7	0	0	0	113.2	N109	N109-N111 PolarHBondContact O-N 3Å; N109-N111 VanDerWaalsContact O-N 3.14Å; N109-N111 WeakPolarHBondContact OD1-CB 3.34Å; N109-N111 PolarHBondContact OD1-N 2.88Å; N109-N111 VanDerWaalsContact OD1-N 3.16Å
112	K	95.1	Very high	96.8	Very high	127 Å²	127	58.4 Å²	58.4	55%	0.552	29%	0.293	S	S	*	.	S	Bend	trans	-116.7	121.5	176.6	-68.9	-175.1	-179.4	179.5	0	110	K29 N109 I110	K29-K112 VanDerWaalsContact CE-O 3.26Å; K29-K112 WeakPolarHBondContact CE-O 3.41Å; K29-K112 PolarHBondContact NZ-O 3.33Å; N109-K112 PolarHBondContact O-N 2.86Å; N109-K112 VanDerWaalsContact O-N 3.15Å; I110-K112 VanDerWaalsContact C-N 3.25Å; I110-K112 PolarHBondContact O-N 2.86Å
113	P	96.8	Very high	96.8	Very high	40 Å²	40	68 Å²	68	26%	0.26	33%	0.329	S	S	.	.			trans	-66.8	139.4	174.8	27.9	-33.6	0	0	0	110.3	Q30 Q32 K115	Q30-P113 HydrophobicContact CB-CB 3.96Å; Q30-P113 CarbonylContact O-C 3.57Å; Q30-P113 WeakPolarHBondContact O-CA 3.34Å; Q32-P113 HydrophobicContact CG-CB 3.96Å; P113-K115 PolarHBondContact O-N 3.08Å
114	E	97.8	Very high	96.8	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.8	175.6	-172.4	138.2	-171.8	0	0	109.6	Q30 F31 Q32 V61 I94 N95 I106 D107	Q30-E114 PolarHBondContact O-N 3.44Å; F31-E114 CarbonylContact C-O 3.53Å; F31-E114 WeakPolarHBondContact CA-O 3.29Å; F31-E114 HydrophobicContact CD1-CB 3.79Å; F31-E114 HydrophobicContact CD1-CG 3.91Å; F31-E114 HydrophobicContact CE1-CB 3.85Å; F31-E114 HydrophobicContact CE1-CG 3.7Å; F31-E114 HydrophobicContact CG-CB 4.36Å; F31-E114 HydrophobicContact CZ-CB 4.46Å; Q32-E114 PolarHBondContact N-O 2.93Å; V61-E114 WeakPolarHBondContact CG2-OE1 3.28Å; I94-E114 HydrophobicContact CG2-CG 4.16Å; I94-E114 WeakPolarHBondContact CG2-OE1 3.18Å; N95-E114 WeakPolarHBondContact OD1-CA 3.08Å; I106-E114 WeakPolarHBondContact CG2-OE2 3.38Å; D107-E114 PolarHBondContact N-OE2 2.98Å; D107-E114 VanDerWaalsContact N-OE2 3.16Å
115	K	98.7	Very high	96.8	Very high	91 Å²	91	69.2 Å²	69.2	40%	0.396	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126	-175.5	-66.8	-176.5	179.7	-178	0	110.6	Q32 I94 N95 P113 Y117	Q32-K115 HydrophobicContact CB-CG 4.21Å; Q32-K115 CarbonylContact O-C 3.47Å; Q32-K115 WeakPolarHBondContact O-CA 3.45Å; Q32-K115 VanDerWaalsContact OE1-CE 3.29Å; I94-K115 WeakPolarHBondContact CA-O 3.1Å; N95-K115 PolarHBondContact N-O 3.16Å; N95-K115 PolarHBondContact OD1-N 2.91Å; P113-K115 PolarHBondContact O-N 3.08Å; K115-Y117 HydrophobicContact CB-CD2 4.47Å; K115-Y117 HydrophobicContact CB-CE2 3.95Å; K115-Y117 HydrophobicContact CD-CE2 4.44Å
116	V	98.9	Very high	96.8	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.2	-177.6	-172.7	0	0	0	0	109.9	F31 Q32 V33 Y34 V61 M92 N93 L128	F31-V116 HydrophobicContact CD1-CG2 4.34Å; Q32-V116 PolarHBondContact O-N 3.38Å; V33-V116 HydrophobicContact CG1-CB 4.41Å; V33-V116 HydrophobicContact CG2-CB 4.32Å; Y34-V116 PolarHBondContact N-O 3.43Å; V61-V116 HydrophobicContact CG1-CG2 4.36Å; M92-V116 HydrophobicContact CG-CG1 4.38Å; M92-V116 HydrophobicContact SD-CG1 3.52Å; M92-V116 VanDerWaalsContact SD-CG1 3.52Å; N93-V116 WeakPolarHBondContact O-CA 3.29Å; V116-L128 HydrophobicContact CG1-CD1 3.66Å; V116-L128 HydrophobicContact CG1-CD2 4Å
117	Y	98.9	Very high	96.9	Very high	81 Å²	81	63.7 Å²	63.7	32%	0.318	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	160.8	177.8	-67.2	-88.1	0	0	0	110.8	Y34 M47 M92 N93 K115	Y34-Y117 AromaticContact CD2-CD1 3.96Å; Y34-Y117 HydrophobicContact CD2-CD1 3.96Å; Y34-Y117 HydrophobicContact CD2-CE1 4.36Å; Y34-Y117 HydrophobicContact CG-CD1 4.35Å; M47-Y117 HydrophobicContact CE-CD1 4.48Å; M47-Y117 HydrophobicContact CE-CE1 3.85Å; M47-Y117 HydrophobicContact CE-CE2 4.08Å; M47-Y117 HydrophobicContact CG-CE1 4.49Å; M47-Y117 HydrophobicContact SD-CD1 4.05Å; M47-Y117 HydrophobicContact SD-CE1 3.27Å; M47-Y117 WeakPolarHBondContact SD-CE1 3.25Å; M47-Y117 VanDerWaalsContact SD-CZ 3.57Å; M92-Y117 WeakPolarHBondContact CB-O 3.14Å; N93-Y117 PolarHBondContact N-O 3.38Å; N93-Y117 PolarHBondContact O-N 3.34Å; K115-Y117 HydrophobicContact CB-CD2 4.47Å; K115-Y117 HydrophobicContact CB-CE2 3.95Å; K115-Y117 HydrophobicContact CD-CE2 4.44Å
118	P	98.9	Very high	97	Very high	10 Å²	10	61.1 Å²	61.1	7%	0.065	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-59.5	172.3	166.8	-16.1	29.9	0	0	0	111.2	Y34 V124 D127 L128	Y34-P118 HydrophobicContact CD1-CG 3.65Å; Y34-P118 HydrophobicContact CE1-CG 3.94Å; Y34-P118 HydrophobicContact CG-CG 4.07Å; P118-V124 HydrophobicContact CB-CG2 4.1Å; P118-V124 HydrophobicContact CG-CG1 4.35Å; P118-V124 HydrophobicContact CG-CG2 3.85Å; P118-D127 WeakPolarHBondContact CG-O 3.12Å; P118-L128 HydrophobicContact CG-CD2 4.38Å
119	L	98.9	Very high	97.6	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	27%	0.271	C	S	.	.	S	Bend	trans	-58.3	133.6	169.6	-69.6	179.4	0	0	0	110.5	A91 N98 M122 P130 L132 A179 T183	A91-L119 HydrophobicContact CB-CD1 4.03Å; A91-L119 HydrophobicContact CB-CD2 4.13Å; A91-L119 HydrophobicContact CB-CG 4.38Å; N98-L119 HydrophobicContact CB-CD2 4.37Å; L119-M122 HydrophobicContact CB-CG 4.08Å; L119-M122 WeakPolarHBondContact O-CG 3.38Å; L119-P130 HydrophobicContact CB-CG 4.36Å; L119-P130 HydrophobicContact CD1-CG 4.42Å; L119-P130 HydrophobicContact CG-CG 4.49Å; L119-L132 HydrophobicContact CD1-CD2 4.41Å; L119-A179 HydrophobicContact CD1-CB 4.07Å; L119-T183 HydrophobicContact CB-CG2 3.92Å; L119-T183 HydrophobicContact CD1-CG2 4.08Å; L119-T183 WeakPolarHBondContact CD2-OG1 3.48Å
120	P	98.8	Very high	97.8	Very high	34 Å²	34	54.3 Å²	54.3	22%	0.221	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	145.7	-172.5	-23.6	32.9	0	0	0	113.8	N93 N98 M122 T183 W189	N93-P120 HydrophobicContact CB-CG 4.4Å; N98-P120 WeakPolarHBondContact OD1-CD 3.21Å; N98-P120 WeakPolarHBondContact OD1-CG 3.31Å; P120-M122 VanDerWaalsContact C-N 3.26Å; P120-M122 PolarHBondContact O-N 3.4Å; P120-T183 WeakPolarHBondContact CD-O 3.13Å; P120-W189 HydrophobicContact CB-CZ2 3.95Å; P120-W189 HydrophobicContact CG-CZ2 4.47Å
121	H	98.6	Very high	98.1	Very high	120 Å²	120	53.9 Å²	53.9	56%	0.556	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	34.3	174.4	-154.7	-75	0	0	0	114.4	W189	H121-W189 HydrophobicContact CB-CB 3.91Å; H121-W189 HydrophobicContact CB-CD2 4.4Å; H121-W189 HydrophobicContact CB-CG 3.7Å; H121-W189 PolarHBondContact CE1-O 2.95Å; H121-W189 PolarHBondContact ND1-O 3.3Å; H121-W189 PolarHBondContact NE2-O 2.95Å
122	M	98.5	Very high	98.4	Very high	35 Å²	35	48 Å²	48	17%	0.172	23%	0.225	C	C	.	.	S	Bend	trans	-111.5	149.1	173	-56.6	-60.6	-64.5	0	0	109.8	L119 P120 V124 P130 D131 L132 T183	L119-M122 HydrophobicContact CB-CG 4.08Å; L119-M122 WeakPolarHBondContact O-CG 3.38Å; P120-M122 VanDerWaalsContact C-N 3.26Å; P120-M122 PolarHBondContact O-N 3.4Å; M122-V124 PolarHBondContact O-N 2.9Å; M122-P130 HydrophobicContact CB-CB 3.66Å; M122-P130 HydrophobicContact CG-CB 4.16Å; M122-D131 WeakPolarHBondContact CE-O 3.44Å; M122-L132 HydrophobicContact CE-CD2 3.81Å; M122-T183 HydrophobicContact CG-CG2 3.82Å; M122-T183 HydrophobicContact SD-CG2 3.56Å; M122-T183 VanDerWaalsContact SD-CG2 3.56Å
123	Y	98.3	Very high	98.6	Very high	208 Å²	208	46.3 Å²	46.3	82%	0.816	22%	0.222	S	C	*	.			trans	-63	129.8	165	-70.9	-73.7	0	0	0	109.2	P130 D131	Y123-P130 CarbonylContact O-C 3.52Å; Y123-P130 WeakPolarHBondContact O-CA 3.15Å; Y123-D131 PolarHBondContact O-N 3.36Å
124	V	98.6	Very high	98.7	Very high	36 Å²	36	47.6 Å²	47.6	22%	0.218	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124	-179.6	-177.4	0	0	0	0	109.1	Y34 Y36 P118 M122 D127	Y34-V124 HydrophobicContact CE1-CG1 3.99Å; Y34-V124 HydrophobicContact CE1-CG2 4.32Å; Y36-V124 HydrophobicContact CD1-CB 4.48Å; Y36-V124 HydrophobicContact CD1-CG1 4.14Å; P118-V124 HydrophobicContact CB-CG2 4.1Å; P118-V124 HydrophobicContact CG-CG1 4.35Å; P118-V124 HydrophobicContact CG-CG2 3.85Å; M122-V124 PolarHBondContact O-N 2.9Å; V124-D127 WeakPolarHBondContact CG1-O 3.23Å
125	I	98.5	Very high	98.7	Very high	77 Å²	77	47.6 Å²	47.6	40%	0.395	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-54.9	175	-60.1	174.5	0	0	0	109.3	P38 V129 D131	P38-I125 WeakPolarHBondContact CD-O 3.21Å; P38-I125 VanDerWaalsContact CG-O 3.3Å; P38-I125 WeakPolarHBondContact CG-O 3.43Å; I125-V129 HydrophobicContact CB-CG1 4.31Å; I125-V129 WeakPolarHBondContact CB-O 3.3Å; I125-V129 HydrophobicContact CD1-CG1 4.43Å; I125-V129 PolarHBondContact N-O 3.25Å; I125-D131 HydrophobicContact CD1-CB 4.14Å; I125-D131 HydrophobicContact CG1-CB 4.06Å
126	K	98.7	Very high	98.7	Very high	51 Å²	51	48.7 Å²	48.7	22%	0.222	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	134.2	178.3	-174	166.5	-175	146.3	0	109.8	Y36 N37 P38 D39 T77 L128 V129	Y36-K126 WeakPolarHBondContact O-CG 3.46Å; N37-K126 WeakPolarHBondContact OD1-CE 3.47Å; N37-K126 PolarHBondContact OD1-NZ 3.11Å; P38-K126 HydrophobicContact CG-CB 4.31Å; P38-K126 HydrophobicContact CG-CD 4.48Å; D39-K126 IonicContact OD2-NZ 2.68Å; D39-K126 PolarHBondContact OD2-NZ 2.87Å; T77-K126 HydrophobicContact CG2-CD 4.45Å; T77-K126 HydrophobicContact CG2-CG 4.48Å; K126-L128 PolarHBondContact O-N 3.46Å; K126-L128 VanDerWaalsContact O-N 3.11Å; K126-V129 WeakPolarHBondContact O-CB 3.49Å; K126-V129 WeakPolarHBondContact O-CG2 3.41Å; K126-V129 PolarHBondContact O-N 3.25Å
127	D	98.8	Very high	98.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.8	-115.4	178.6	-66.2	-27.4	0	0	0	112.8	Y34 R35 Y36 T77 P118 V124 V129	Y34-D127 WeakPolarHBondContact CD1-O 3.28Å; R35-D127 WeakPolarHBondContact CA-OD1 3.17Å; R35-D127 IonicContact CZ-OD1 2.75Å; R35-D127 IonicContact CZ-OD2 2.96Å; R35-D127 VanDerWaalsContact NE-CG 3.31Å; R35-D127 IonicContact NE-OD1 3.82Å; R35-D127 PolarHBondContact NE-OD1 3.08Å; R35-D127 IonicContact NE-OD2 3.53Å; R35-D127 PolarHBondContact NE-OD2 3.34Å; R35-D127 IonicContact NH2-OD1 3.46Å; R35-D127 IonicContact NH2-OD2 3.99Å; R35-D127 PolarHBondContact NH2-OD2 3.11Å; R35-D127 VanDerWaalsContact NH2-OD2 3.11Å; Y36-D127 PolarHBondContact N-OD1 3.2Å; Y36-D127 PolarHBondContact O-N 2.99Å; T77-D127 PolarHBondContact N-OD2 3.32Å; T77-D127 WeakPolarHBondContact O-CB 3.19Å; P118-D127 WeakPolarHBondContact CG-O 3.12Å; V124-D127 WeakPolarHBondContact CG1-O 3.23Å; D127-V129 VanDerWaalsContact C-N 3.3Å; D127-V129 PolarHBondContact O-N 3.13Å
128	L	98.9	Very high	98.7	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	16.8	-177	-57.8	177.9	0	0	0	113.6	V33 L65 T77 F78 M92 V116 P118 K126 P130	V33-L128 HydrophobicContact CG1-CD1 3.82Å; V33-L128 HydrophobicContact CG1-CD2 4.04Å; V33-L128 HydrophobicContact CG1-CG 4.07Å; L65-L128 HydrophobicContact CD1-CD1 4.25Å; L65-L128 HydrophobicContact CD2-CD1 4.24Å; T77-L128 PolarHBondContact O-N 2.57Å; T77-L128 VanDerWaalsContact O-N 3.15Å; F78-L128 HydrophobicContact CB-CB 4.01Å; F78-L128 HydrophobicContact CB-CD1 4.18Å; M92-L128 HydrophobicContact CE-CD1 4.43Å; M92-L128 HydrophobicContact SD-CD1 4.14Å; V116-L128 HydrophobicContact CG1-CD1 3.66Å; V116-L128 HydrophobicContact CG1-CD2 4Å; P118-L128 HydrophobicContact CG-CD2 4.38Å; K126-L128 PolarHBondContact O-N 3.46Å; K126-L128 VanDerWaalsContact O-N 3.11Å; L128-P130 WeakPolarHBondContact O-CD 3.42Å
129	V	98.9	Very high	98.7	Very high	13 Å²	13	53.9 Å²	53.9	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	96.4	-172.9	-176	0	0	0	0	110	T77 R79 I125 K126 D127	T77-V129 HydrophobicContact CG2-CG2 3.88Å; R79-V129 HydrophobicContact CG-CG1 4.23Å; R79-V129 HydrophobicContact CG-CG2 4.37Å; R79-V129 VanDerWaalsContact NH1-CG1 3.31Å; I125-V129 HydrophobicContact CB-CG1 4.31Å; I125-V129 WeakPolarHBondContact CB-O 3.3Å; I125-V129 HydrophobicContact CD1-CG1 4.43Å; I125-V129 PolarHBondContact N-O 3.25Å; K126-V129 WeakPolarHBondContact O-CB 3.49Å; K126-V129 WeakPolarHBondContact O-CG2 3.41Å; K126-V129 PolarHBondContact O-N 3.25Å; D127-V129 VanDerWaalsContact C-N 3.3Å; D127-V129 PolarHBondContact O-N 3.13Å
130	P	98.8	Very high	98.7	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	156.9	173.3	30.7	-35.9	0	0	0	111.9	R79 L119 M122 Y123 L128 L132	R79-P130 PolarHBondContact NH1-O 3.29Å; R79-P130 PolarHBondContact NH2-O 2.82Å; L119-P130 HydrophobicContact CB-CG 4.36Å; L119-P130 HydrophobicContact CD1-CG 4.42Å; L119-P130 HydrophobicContact CG-CG 4.49Å; M122-P130 HydrophobicContact CB-CB 3.66Å; M122-P130 HydrophobicContact CG-CB 4.16Å; Y123-P130 CarbonylContact O-C 3.52Å; Y123-P130 WeakPolarHBondContact O-CA 3.15Å; L128-P130 WeakPolarHBondContact O-CD 3.42Å; P130-L132 HydrophobicContact CG-CD2 4.47Å; P130-L132 HydrophobicContact CG-CG 4.42Å
131	D	98.8	Very high	98.6	Very high	52 Å²	52	64 Å²	64	28%	0.278	30%	0.296	S	S	.	.			trans	-77.6	124	162.5	-171	-41.3	0	0	0	109.3	M122 Y123 I125 N133	M122-D131 WeakPolarHBondContact CE-O 3.44Å; Y123-D131 PolarHBondContact O-N 3.36Å; I125-D131 HydrophobicContact CD1-CB 4.14Å; I125-D131 HydrophobicContact CG1-CB 4.06Å; D131-N133 VanDerWaalsContact CG-ND2 3.28Å; D131-N133 WeakPolarHBondContact OD1-CB 3.3Å; D131-N133 VanDerWaalsContact OD1-CG 3.25Å; D131-N133 PolarHBondContact OD1-N 3.32Å; D131-N133 PolarHBondContact OD1-ND2 3.44Å; D131-N133 PolarHBondContact OD2-ND2 3.25Å
132	L	98.8	Very high	98.6	Very high	19 Å²	19	58.6 Å²	58.6	10%	0.099	27%	0.271	C	S	.	.			trans	-112.7	11.9	179.7	-67.5	175.3	0	0	0	112.9	L119 M122 P130 L134 F135 Y136 A179	L119-L132 HydrophobicContact CD1-CD2 4.41Å; M122-L132 HydrophobicContact CE-CD2 3.81Å; P130-L132 HydrophobicContact CG-CD2 4.47Å; P130-L132 HydrophobicContact CG-CG 4.42Å; L132-L134 PolarHBondContact O-N 3.36Å; L132-F135 HydrophobicContact CD2-CB 4.47Å; L132-F135 WeakPolarHBondContact O-CB 3.41Å; L132-F135 PolarHBondContact O-N 3.32Å; L132-F135 VanDerWaalsContact O-N 3.15Å; L132-Y136 HydrophobicContact CB-CD2 4.1Å; L132-Y136 HydrophobicContact CB-CE2 3.53Å; L132-Y136 WeakPolarHBondContact CD1-OH 3.47Å; L132-Y136 WeakPolarHBondContact O-CD2 3.27Å; L132-Y136 PolarHBondContact O-N 2.7Å; L132-A179 HydrophobicContact CD2-CB 4.05Å
133	N	98.6	Very high	98.6	Very high	90 Å²	90	59.1 Å²	59.1	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-59.7	-46.7	-175.5	-71.2	-50.6	0	0	0	112	D131 F135 Y136 Q137	D131-N133 VanDerWaalsContact CG-ND2 3.28Å; D131-N133 WeakPolarHBondContact OD1-CB 3.3Å; D131-N133 VanDerWaalsContact OD1-CG 3.25Å; D131-N133 PolarHBondContact OD1-N 3.32Å; D131-N133 PolarHBondContact OD1-ND2 3.44Å; D131-N133 PolarHBondContact OD2-ND2 3.25Å; N133-F135 VanDerWaalsContact C-N 3.31Å; N133-F135 PolarHBondContact O-N 3.34Å; N133-Y136 PolarHBondContact O-N 3.13Å; N133-Q137 WeakPolarHBondContact O-CB 3.47Å; N133-Q137 VanDerWaalsContact O-CG 3.27Å; N133-Q137 WeakPolarHBondContact O-CG 3.5Å; N133-Q137 PolarHBondContact O-N 2.98Å
134	L	98.5	Very high	98.6	Very high	68 Å²	68	50.4 Å²	50.4	36%	0.356	24%	0.241	S	C	.	.	H	α-helix	trans	-59.2	-41.9	176.1	176.1	59.9	0	0	0	111.8	L132 Y136 Q137 Q138 A192	L132-L134 PolarHBondContact O-N 3.36Å; L134-Y136 PolarHBondContact O-N 3.39Å; L134-Q137 PolarHBondContact O-N 3.23Å; L134-Q138 HydrophobicContact CD1-CG 4.38Å; L134-Q138 WeakPolarHBondContact O-CG 3.46Å; L134-Q138 PolarHBondContact O-N 3.04Å; L134-A192 HydrophobicContact CD2-CB 3.99Å
135	F	98.8	Very high	98.6	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-44.5	176.8	174.9	-93.9	0	0	0	111.7	L132 N133 Q138 Y139 L177 A179 A199 I200	L132-F135 HydrophobicContact CD2-CB 4.47Å; L132-F135 WeakPolarHBondContact O-CB 3.41Å; L132-F135 PolarHBondContact O-N 3.32Å; L132-F135 VanDerWaalsContact O-N 3.15Å; N133-F135 VanDerWaalsContact C-N 3.31Å; N133-F135 PolarHBondContact O-N 3.34Å; F135-Q138 PolarHBondContact O-N 3.38Å; F135-Y139 PolarHBondContact O-N 2.89Å; F135-Y139 VanDerWaalsContact O-N 3.08Å; F135-L177 HydrophobicContact CE1-CB 4.29Å; F135-L177 WeakPolarHBondContact CE1-O 3.37Å; F135-L177 HydrophobicContact CZ-CD2 4.44Å; F135-A179 HydrophobicContact CD1-CB 4.26Å; F135-A179 HydrophobicContact CD2-CB 3.82Å; F135-A179 HydrophobicContact CE1-CB 4.09Å; F135-A179 HydrophobicContact CE2-CB 3.61Å; F135-A179 HydrophobicContact CG-CB 4.14Å; F135-A179 HydrophobicContact CZ-CB 3.77Å; F135-A199 HydrophobicContact CE2-CB 3.56Å; F135-A199 HydrophobicContact CZ-CB 3.71Å; F135-I200 HydrophobicContact CD2-CD1 4.49Å; F135-I200 HydrophobicContact CE2-CD1 4.14Å; F135-I200 HydrophobicContact CZ-CD1 4.23Å
136	Y	98.7	Very high	98.6	Very high	113 Å²	113	53.8 Å²	53.8	44%	0.443	25%	0.249	S	C	.	.	H	α-helix	trans	-71.1	-34.1	177.2	-59.6	-45.8	0	0	0	113.2	L132 N133 L134 Y139 R140	L132-Y136 HydrophobicContact CB-CD2 4.1Å; L132-Y136 HydrophobicContact CB-CE2 3.53Å; L132-Y136 WeakPolarHBondContact CD1-OH 3.47Å; L132-Y136 WeakPolarHBondContact O-CD2 3.27Å; L132-Y136 PolarHBondContact O-N 2.7Å; N133-Y136 PolarHBondContact O-N 3.13Å; L134-Y136 PolarHBondContact O-N 3.39Å; Y136-Y139 WeakPolarHBondContact O-CB 3.49Å; Y136-Y139 PolarHBondContact O-N 3.23Å; Y136-R140 PolarHBondContact O-N 3Å
137	Q	98.6	Very high	98.5	Very high	129 Å²	129	52.9 Å²	52.9	60%	0.603	25%	0.245	S	C	*	.	H	α-helix	trans	-62.8	-42.8	174	-74.2	171.4	3.6	0	0	111.3	N133 L134 Y139 R140 S141	N133-Q137 WeakPolarHBondContact O-CB 3.47Å; N133-Q137 VanDerWaalsContact O-CG 3.27Å; N133-Q137 WeakPolarHBondContact O-CG 3.5Å; N133-Q137 PolarHBondContact O-N 2.98Å; L134-Q137 PolarHBondContact O-N 3.23Å; Q137-Y139 VanDerWaalsContact C-N 3.35Å; Q137-R140 PolarHBondContact O-N 2.75Å; Q137-S141 PolarHBondContact O-N 3.17Å
138	Q	98.7	Very high	98.4	Very high	13 Å²	13	55.3 Å²	55.3	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-37.6	173.3	-68.7	173.4	35.9	0	0	112.4	L134 F135 R140 S141 Y188 A192 Y195 L196 I200	L134-Q138 HydrophobicContact CD1-CG 4.38Å; L134-Q138 WeakPolarHBondContact O-CG 3.46Å; L134-Q138 PolarHBondContact O-N 3.04Å; F135-Q138 PolarHBondContact O-N 3.38Å; Q138-R140 VanDerWaalsContact C-N 3.31Å; Q138-R140 PolarHBondContact O-N 2.97Å; Q138-S141 PolarHBondContact O-N 3.03Å; Q138-S141 PolarHBondContact O-OG 2.94Å; Q138-Y188 PolarHBondContact NE2-OH 3.48Å; Q138-A192 PolarHBondContact NE2-O 2.92Å; Q138-Y195 PolarHBondContact OE1-O 3.15Å; Q138-L196 HydrophobicContact CB-CD2 4.15Å; Q138-L196 HydrophobicContact CG-CD2 4.16Å; Q138-L196 VanDerWaalsContact OE1-C 3.26Å; Q138-L196 PolarHBondContact OE1-O 3.12Å; Q138-I200 HydrophobicContact CB-CG1 4.02Å
139	Y	98.8	Very high	98.2	Very high	59 Å²	59	60.8 Å²	60.8	23%	0.231	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-40	172.5	-178.1	-119.7	0	0	0	112.2	F135 Y136 Q137 S141 I142 P144 L177 I200 Q203	F135-Y139 PolarHBondContact O-N 2.89Å; F135-Y139 VanDerWaalsContact O-N 3.08Å; Y136-Y139 WeakPolarHBondContact O-CB 3.49Å; Y136-Y139 PolarHBondContact O-N 3.23Å; Q137-Y139 VanDerWaalsContact C-N 3.35Å; Y139-S141 VanDerWaalsContact C-N 3.35Å; Y139-I142 HydrophobicContact CD2-CD1 4.2Å; Y139-I142 HydrophobicContact CD2-CG1 4.49Å; Y139-I142 HydrophobicContact CE2-CD1 4.39Å; Y139-I142 WeakPolarHBondContact O-CG1 3.46Å; Y139-P144 HydrophobicContact CD1-CG 4.09Å; Y139-P144 HydrophobicContact CD2-CB 4.3Å; Y139-P144 HydrophobicContact CD2-CG 4.29Å; Y139-P144 HydrophobicContact CE1-CB 4.15Å; Y139-P144 HydrophobicContact CE1-CG 3.63Å; Y139-P144 HydrophobicContact CE2-CB 3.54Å; Y139-P144 HydrophobicContact CE2-CG 3.83Å; Y139-P144 HydrophobicContact CG-CG 4.41Å; Y139-P144 VanDerWaalsContact CZ-CB 3.46Å; Y139-P144 VanDerWaalsContact CZ-CG 3.49Å; Y139-P144 WeakPolarHBondContact O-CD 3.26Å; Y139-P144 WeakPolarHBondContact O-CG 3.49Å; Y139-P144 WeakPolarHBondContact OH-CB 3.44Å; Y139-L177 HydrophobicContact CD1-CD1 3.98Å; Y139-L177 HydrophobicContact CD2-CD1 4.48Å; Y139-L177 HydrophobicContact CD2-CD2 4.03Å; Y139-L177 HydrophobicContact CE1-CD1 3.68Å; Y139-L177 HydrophobicContact CE2-CD1 4.23Å; Y139-L177 HydrophobicContact CE2-CD2 4.1Å; Y139-L177 HydrophobicContact CG-CD1 4.36Å; Y139-L177 HydrophobicContact CG-CD2 4.4Å; Y139-I200 HydrophobicContact CD2-CD1 4.15Å; Y139-I200 HydrophobicContact CG-CD1 4.33Å; Y139-Q203 HydrophobicContact CD2-CB 4.34Å; Y139-Q203 HydrophobicContact CD2-CG 4.36Å; Y139-Q203 HydrophobicContact CE2-CB 3.93Å; Y139-Q203 HydrophobicContact CE2-CG 3.81Å
140	R	98.4	Very high	97.9	Very high	193 Å²	193	63.2 Å²	63.2	73%	0.728	29%	0.29	S	S	*	.	H	α-helix	trans	-66.8	-35.9	176.4	-172.9	176.3	179.5	176.2	-0.4	112.1	Y136 Q137 Q138 I142 E143	Y136-R140 PolarHBondContact O-N 3Å; Q137-R140 PolarHBondContact O-N 2.75Å; Q138-R140 VanDerWaalsContact C-N 3.31Å; Q138-R140 PolarHBondContact O-N 2.97Å; R140-I142 PolarHBondContact O-N 3.23Å; R140-E143 PolarHBondContact O-N 2.69Å; R140-E143 VanDerWaalsContact O-N 3.07Å
141	S	98.1	Very high	97.5	Very high	58 Å²	58	69 Å²	69	41%	0.406	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-24.7	-175.7	77.1	0	0	0	0	113.7	Q137 Q138 Y139 E143 R222	Q137-S141 PolarHBondContact O-N 3.17Å; Q138-S141 PolarHBondContact O-N 3.03Å; Q138-S141 PolarHBondContact O-OG 2.94Å; Y139-S141 VanDerWaalsContact C-N 3.35Å; S141-E143 PolarHBondContact O-N 3.26Å; S141-R222 WeakPolarHBondContact O-CD 3.34Å
142	I	98.2	Very high	97.2	Very high	6 Å²	6	71 Å²	71	3%	0.031	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-0.8	176.2	64.1	156.4	0	0	0	113.7	Y139 R140 P144 L196 I200 Q203 T204 R219	Y139-I142 HydrophobicContact CD2-CD1 4.2Å; Y139-I142 HydrophobicContact CD2-CG1 4.49Å; Y139-I142 HydrophobicContact CE2-CD1 4.39Å; Y139-I142 WeakPolarHBondContact O-CG1 3.46Å; R140-I142 PolarHBondContact O-N 3.23Å; I142-P144 HydrophobicContact CD1-CB 4.36Å; I142-P144 HydrophobicContact CG1-CB 4.36Å; I142-L196 HydrophobicContact CG2-CD1 4.09Å; I142-I200 HydrophobicContact CD1-CG2 4.09Å; I142-I200 HydrophobicContact CG1-CG2 4.2Å; I142-I200 HydrophobicContact CG2-CG2 3.55Å; I142-Q203 HydrophobicContact CD1-CB 3.69Å; I142-T204 WeakPolarHBondContact CG2-OG1 3.48Å; I142-R219 PolarHBondContact O-NH1 2.93Å
143	E	98.6	Very high	97	Very high	46 Å²	46	77.3 Å²	77.3	22%	0.215	36%	0.364	C	S	.	.			trans	53	68.7	-177.6	-60.3	-179.8	133.5	0	0	112.5	R140 S141 W145 K147 R219 R222	R140-E143 PolarHBondContact O-N 2.69Å; R140-E143 VanDerWaalsContact O-N 3.07Å; S141-E143 PolarHBondContact O-N 3.26Å; E143-W145 VanDerWaalsContact C-CE3 3.47Å; E143-W145 VanDerWaalsContact CA-CZ3 3.42Å; E143-W145 HydrophobicContact CB-CD2 4.25Å; E143-W145 HydrophobicContact CB-CE3 4.24Å; E143-W145 HydrophobicContact CB-CH2 3.54Å; E143-W145 HydrophobicContact CB-CZ2 3.52Å; E143-W145 HydrophobicContact CB-CZ3 3.92Å; E143-W145 HydrophobicContact CG-CH2 3.55Å; E143-W145 HydrophobicContact CG-CZ2 3.64Å; E143-W145 HydrophobicContact CG-CZ3 4.32Å; E143-W145 PolarHBondContact O-N 3.26Å; E143-K147 IonicContact OE1-NZ 2.75Å; E143-K147 IonicContact OE2-NZ 3.63Å; E143-K147 PolarHBondContact OE2-NZ 3.39Å; E143-R219 PolarHBondContact O-NH1 3.15Å; E143-R222 IonicContact OE1-NH2 3.49Å; E143-R222 IonicContact OE2-CZ 3.74Å; E143-R222 VanDerWaalsContact OE2-CZ 3.26Å; E143-R222 IonicContact OE2-NH1 3.66Å; E143-R222 PolarHBondContact OE2-NH1 2.92Å; E143-R222 IonicContact OE2-NH2 2.78Å; E143-R222 PolarHBondContact OE2-NH2 3.47Å
144	P	98.5	Very high	96.8	Very high	25 Å²	25	80.5 Å²	80.5	16%	0.162	38%	0.38	C	S	.	.			trans	-81.3	54.7	-167.2	35.3	-38	0	0	0	113	Y139 I142 W207	Y139-P144 HydrophobicContact CD1-CG 4.09Å; Y139-P144 HydrophobicContact CD2-CB 4.3Å; Y139-P144 HydrophobicContact CD2-CG 4.29Å; Y139-P144 HydrophobicContact CE1-CB 4.15Å; Y139-P144 HydrophobicContact CE1-CG 3.63Å; Y139-P144 HydrophobicContact CE2-CB 3.54Å; Y139-P144 HydrophobicContact CE2-CG 3.83Å; Y139-P144 HydrophobicContact CG-CG 4.41Å; Y139-P144 VanDerWaalsContact CZ-CB 3.46Å; Y139-P144 VanDerWaalsContact CZ-CG 3.49Å; Y139-P144 WeakPolarHBondContact O-CD 3.26Å; Y139-P144 WeakPolarHBondContact O-CG 3.49Å; Y139-P144 WeakPolarHBondContact OH-CB 3.44Å; I142-P144 HydrophobicContact CD1-CB 4.36Å; I142-P144 HydrophobicContact CG1-CB 4.36Å; P144-W207 WeakPolarHBondContact O-CZ2 3.47Å
145	W	98.5	Very high	96.5	Very high	127 Å²	127	80.9 Å²	80.9	48%	0.481	40%	0.401	S	S	.	.	S	Bend	trans	-139.8	163.2	174.6	58.7	87.1	0	0	0	110.4	E143 W207 R219	E143-W145 VanDerWaalsContact C-CE3 3.47Å; E143-W145 VanDerWaalsContact CA-CZ3 3.42Å; E143-W145 HydrophobicContact CB-CD2 4.25Å; E143-W145 HydrophobicContact CB-CE3 4.24Å; E143-W145 HydrophobicContact CB-CH2 3.54Å; E143-W145 HydrophobicContact CB-CZ2 3.52Å; E143-W145 HydrophobicContact CB-CZ3 3.92Å; E143-W145 HydrophobicContact CG-CH2 3.55Å; E143-W145 HydrophobicContact CG-CZ2 3.64Å; E143-W145 HydrophobicContact CG-CZ3 4.32Å; E143-W145 PolarHBondContact O-N 3.26Å; W145-W207 VanDerWaalsContact C-CZ3 3.41Å; W145-W207 VanDerWaalsContact CA-CZ2 3.49Å; W145-R219 PolarHBondContact O-NH2 3.01Å
146	L	98	Very high	96.4	Very high	57 Å²	57	87.5 Å²	87.5	30%	0.298	43%	0.432	S	S	.	.			trans	-69.3	129	-178.7	-175.6	65.1	0	0	0	110.8	R148 F159 W207 R212 D213	L146-R148 HydrophobicContact CG-CG 4.46Å; L146-F159 HydrophobicContact CD2-CD2 3.85Å; L146-F159 HydrophobicContact CD2-CE2 3.73Å; L146-W207 VanDerWaalsContact CA-CZ3 3.41Å; L146-W207 HydrophobicContact CB-CH2 4.3Å; L146-W207 HydrophobicContact CB-CZ3 3.82Å; L146-W207 HydrophobicContact CD1-CZ3 4.18Å; L146-W207 VanDerWaalsContact N-CH2 3.31Å; L146-R212 HydrophobicContact CD1-CB 3.79Å; L146-R212 WeakPolarHBondContact CD1-O 3.37Å; L146-R212 HydrophobicContact CD2-CB 4.39Å; L146-D213 HydrophobicContact CD1-CB 3.98Å
147	K	97.7	Very high	96.2	Very high	32 Å²	32	88.4 Å²	88.4	14%	0.139	44%	0.438	C	S	.	.			trans	-123.2	132.5	176.3	-59.3	177.3	70.5	177.6	0	110.7	E143 D213 H214 Y215	E143-K147 IonicContact OE1-NZ 2.75Å; E143-K147 IonicContact OE2-NZ 3.63Å; E143-K147 PolarHBondContact OE2-NZ 3.39Å; K147-D213 PolarHBondContact N-OD2 3.16Å; K147-D213 WeakPolarHBondContact O-CA 3.06Å; K147-H214 PolarHBondContact O-N 3.21Å; K147-Y215 HydrophobicContact CB-CD1 4.47Å; K147-Y215 HydrophobicContact CB-CD2 3.25Å; K147-Y215 HydrophobicContact CB-CE2 3.72Å; K147-Y215 HydrophobicContact CB-CG 3.67Å; K147-Y215 HydrophobicContact CD-CD1 4.23Å; K147-Y215 HydrophobicContact CD-CD2 4.46Å; K147-Y215 HydrophobicContact CD-CG 4.08Å; K147-Y215 VanDerWaalsContact CE-CD1 3.48Å; K147-Y215 HydrophobicContact CG-CD2 4.44Å
148	R	96	Very high	96	Very high	52 Å²	52	90.9 Å²	90.9	20%	0.196	45%	0.45	C	S	.	.			trans	-131.4	151.7	-175.7	-73.6	-171.9	74.2	79.6	-6	110.1	L146 D150 F152 R212 H214	L146-R148 HydrophobicContact CG-CG 4.46Å; R148-D150 WeakPolarHBondContact CB-OD1 3.47Å; R148-D150 IonicContact CZ-OD1 2.75Å; R148-D150 IonicContact CZ-OD2 3.65Å; R148-D150 VanDerWaalsContact CZ-OD2 3.3Å; R148-D150 IonicContact NE-OD1 2.91Å; R148-D150 PolarHBondContact NE-OD1 2.79Å; R148-D150 IonicContact NE-OD2 2.69Å; R148-D150 PolarHBondContact NE-OD2 3.27Å; R148-D150 VanDerWaalsContact NE-OD2 3.12Å; R148-D150 VanDerWaalsContact NH2-CG 3.32Å; R148-D150 IonicContact NH2-OD1 2.88Å; R148-D150 PolarHBondContact NH2-OD1 3.48Å; R148-D150 IonicContact NH2-OD2 3.62Å; R148-D150 PolarHBondContact NH2-OD2 3.31Å; R148-F152 HydrophobicContact CB-CD1 4.35Å; R148-F152 HydrophobicContact CB-CE1 3.76Å; R148-F152 HydrophobicContact CG-CE1 4.37Å; R148-R212 WeakPolarHBondContact CG-O 3.45Å; R148-R212 PolarHBondContact NH1-O 3.15Å; R148-H214 VanDerWaalsContact CZ-CE1 3.46Å; R148-H214 PolarHBondContact NH1-NE2 3.08Å; R148-H214 PolarHBondContact NH2-CE1 3.07Å
149	K	95.2	Very high	95.9	Very high	119 Å²	119	93.3 Å²	93.3	52%	0.517	46%	0.46	S	S	.	.	S	Bend	trans	-105.7	-21.6	-178.2	-69.2	-179	178.1	175.6	0	112.8	H214 Y215 E218	K149-H214 HydrophobicContact CB-CB 4.35Å; K149-H214 HydrophobicContact CD-CB 4.33Å; K149-H214 WeakPolarHBondContact CE-O 3.33Å; K149-H214 HydrophobicContact CG-CB 4.03Å; K149-H214 PolarHBondContact N-ND1 2.94Å; K149-Y215 HydrophobicContact CG-CD2 4.3Å; K149-Y215 HydrophobicContact CG-CE2 3.72Å; K149-E218 WeakPolarHBondContact CE-OE1 3.3Å; K149-E218 IonicContact NZ-OE1 2.69Å; K149-E218 PolarHBondContact NZ-OE1 2.86Å; K149-E218 IonicContact NZ-OE2 3.6Å
150	D	92.7	Very high	95.8	Very high	64 Å²	64	94.7 Å²	94.7	34%	0.342	47%	0.466	S	S	.	.	S	Bend	trans	-74.7	150.6	172.1	53.9	-50.5	0	0	0	111	R148 F152 H214	R148-D150 WeakPolarHBondContact CB-OD1 3.47Å; R148-D150 IonicContact CZ-OD1 2.75Å; R148-D150 IonicContact CZ-OD2 3.65Å; R148-D150 VanDerWaalsContact CZ-OD2 3.3Å; R148-D150 IonicContact NE-OD1 2.91Å; R148-D150 PolarHBondContact NE-OD1 2.79Å; R148-D150 IonicContact NE-OD2 2.69Å; R148-D150 PolarHBondContact NE-OD2 3.27Å; R148-D150 VanDerWaalsContact NE-OD2 3.12Å; R148-D150 VanDerWaalsContact NH2-CG 3.32Å; R148-D150 IonicContact NH2-OD1 2.88Å; R148-D150 PolarHBondContact NH2-OD1 3.48Å; R148-D150 IonicContact NH2-OD2 3.62Å; R148-D150 PolarHBondContact NH2-OD2 3.31Å; D150-F152 WeakPolarHBondContact O-CD1 3.3Å; D150-H214 IonicContact OD1-CE1 3.41Å; D150-H214 PolarHBondContact OD1-CE1 3.26Å; D150-H214 IonicContact OD1-ND1 2.71Å; D150-H214 PolarHBondContact OD1-ND1 2.83Å
151	S	90.6	Very high	95.8	Very high	127 Å²	127	87.3 Å²	87.3	89%	0.888	44%	0.439	S	S	*	.			trans	-76.4	133.4	170.8	-173.6	0	0	0	0	109.7
152	F	91.1	Very high	95.8	Very high	94 Å²	94	85.1 Å²	85.1	41%	0.412	42%	0.424	S	S	.	.			trans	-150	152.6	174.2	63.9	-83.9	0	0	0	109.7	R148 D150 L154 F159	R148-F152 HydrophobicContact CB-CD1 4.35Å; R148-F152 HydrophobicContact CB-CE1 3.76Å; R148-F152 HydrophobicContact CG-CE1 4.37Å; D150-F152 WeakPolarHBondContact O-CD1 3.3Å; F152-L154 HydrophobicContact CE2-CD1 4.45Å; F152-F159 HydrophobicContact CB-CE1 4.39Å; F152-F159 HydrophobicContact CD1-CZ 4.25Å; F152-F159 HydrophobicContact CD2-CE1 4.21Å; F152-F159 AromaticContact CD2-CZ 3.65Å; F152-F159 HydrophobicContact CD2-CZ 3.65Å; F152-F159 HydrophobicContact CE1-CZ 4.39Å; F152-F159 AromaticContact CE2-CZ 3.77Å; F152-F159 HydrophobicContact CE2-CZ 3.77Å; F152-F159 HydrophobicContact CG-CE1 4.14Å; F152-F159 AromaticContact CG-CZ 3.91Å; F152-F159 HydrophobicContact CG-CZ 3.91Å; F152-F159 HydrophobicContact CZ-CZ 4.16Å
153	K	94.3	Very high	95.8	Very high	151 Å²	151	91.6 Å²	91.6	66%	0.657	46%	0.457	S	S	*	.			trans	-89.7	122.5	170.6	-170.3	-178.8	-176.5	-178	0	109.3	G155 E156	K153-G155 PolarHBondContact O-N 3.04Å; K153-E156 HydrophobicContact CB-CB 3.94Å; K153-E156 VanDerWaalsContact CB-OE2 3.3Å; K153-E156 WeakPolarHBondContact CB-OE2 3.21Å; K153-E156 HydrophobicContact CD-CB 4.4Å; K153-E156 HydrophobicContact CG-CB 4.39Å; K153-E156 WeakPolarHBondContact O-CB 3.48Å; K153-E156 PolarHBondContact O-N 2.73Å
154	L	94.2	Very high	95.7	Very high	156 Å²	156	95.2 Å²	95.2	82%	0.817	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	128	178.5	-175.9	66.3	0	0	0	110.4	F152 E156	F152-L154 HydrophobicContact CE2-CD1 4.45Å; L154-E156 VanDerWaalsContact C-N 3.33Å; L154-E156 PolarHBondContact O-N 3.2Å
155	G	93.9	Very high	95.7	Very high	77 Å²	77	94.1 Å²	94.1	79%	0.794	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1.4	177.4	0	0	0	0	0	115.7	K153	K153-G155 PolarHBondContact O-N 3.04Å
156	E	95.4	Very high	95.7	Very high	139 Å²	139	92 Å²	92	65%	0.65	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-48.1	-179.6	178.2	177.5	-154.9	0	0	112.8	K153 L154	K153-E156 HydrophobicContact CB-CB 3.94Å; K153-E156 VanDerWaalsContact CB-OE2 3.3Å; K153-E156 WeakPolarHBondContact CB-OE2 3.21Å; K153-E156 HydrophobicContact CD-CB 4.4Å; K153-E156 HydrophobicContact CG-CB 4.39Å; K153-E156 WeakPolarHBondContact O-CB 3.48Å; K153-E156 PolarHBondContact O-N 2.73Å; L154-E156 VanDerWaalsContact C-N 3.33Å; L154-E156 PolarHBondContact O-N 3.2Å
157	K	94.2	Very high	95.8	Very high	132 Å²	132	91.5 Å²	91.5	57%	0.574	46%	0.463	S	S	*	.	S	Bend	trans	-144.7	160.2	175.3	69.4	169.7	-174	163.9	0	111.8	E271	K157-E271 IonicContact NZ-OE1 3.03Å; K157-E271 IonicContact NZ-OE2 3.34Å; K157-E271 PolarHBondContact NZ-OE2 3.32Å
158	Q	95.9	Very high	95.8	Very high	181 Å²	181	94.4 Å²	94.4	85%	0.846	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-71.7	146.8	171.4	-54.2	179.5	131.7	0	0	109.8
159	F	95.9	Very high	95.9	Very high	65 Å²	65	92 Å²	92	29%	0.285	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-78.4	134	171.2	-63.4	-50.2	0	0	0	110.8	L146 F152 R212	L146-F159 HydrophobicContact CD2-CD2 3.85Å; L146-F159 HydrophobicContact CD2-CE2 3.73Å; F152-F159 HydrophobicContact CB-CE1 4.39Å; F152-F159 HydrophobicContact CD1-CZ 4.25Å; F152-F159 HydrophobicContact CD2-CE1 4.21Å; F152-F159 AromaticContact CD2-CZ 3.65Å; F152-F159 HydrophobicContact CD2-CZ 3.65Å; F152-F159 HydrophobicContact CE1-CZ 4.39Å; F152-F159 AromaticContact CE2-CZ 3.77Å; F152-F159 HydrophobicContact CE2-CZ 3.77Å; F152-F159 HydrophobicContact CG-CE1 4.14Å; F152-F159 AromaticContact CG-CZ 3.91Å; F152-F159 HydrophobicContact CG-CZ 3.91Å; F152-F159 HydrophobicContact CZ-CZ 4.16Å; F159-R212 HydrophobicContact CB-CG 4.27Å
160	Y	96	Very high	96.1	Very high	87 Å²	87	90.5 Å²	90.5	34%	0.341	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-63.5	135.5	174	-173.8	-105.6	0	0	0	111	T162 I269 P270 E271 P272	Y160-T162 HydrophobicContact CE1-CG2 3.77Å; Y160-T162 WeakPolarHBondContact OH-CG2 3.22Å; Y160-I269 WeakPolarHBondContact CD1-O 3.33Å; Y160-I269 HydrophobicContact CE1-CG2 4.4Å; Y160-P270 WeakPolarHBondContact CE1-O 2.85Å; Y160-E271 HydrophobicContact CD1-CB 4.09Å; Y160-E271 HydrophobicContact CD2-CB 4.37Å; Y160-E271 HydrophobicContact CD2-CG 4.07Å; Y160-E271 HydrophobicContact CG-CB 3.84Å; Y160-E271 HydrophobicContact CG-CG 3.98Å; Y160-P272 VanDerWaalsContact CE2-CD 3.49Å; Y160-P272 HydrophobicContact CE2-CG 4.3Å; Y160-P272 WeakPolarHBondContact OH-CD 3.33Å
161	Q	98.2	Very high	96.3	Very high	38 Å²	38	88.8 Å²	88.8	18%	0.178	46%	0.459	C	S	.	.			trans	-155.9	126.6	172.8	177.1	166.4	74.9	0	0	107.6	E165 R166 D210 S211 R212	Q161-E165 HydrophobicContact CG-CB 3.85Å; Q161-R166 HydrophobicContact CG-CB 4.13Å; Q161-D210 PolarHBondContact NE2-OD1 3.07Å; Q161-D210 VanDerWaalsContact NE2-OD1 3.16Å; Q161-S211 PolarHBondContact NE2-OG 3.06Å; Q161-R212 HydrophobicContact CB-CG 4.35Å
162	T	98.1	Very high	96.7	Very high	12 Å²	12	83.3 Å²	83.3	7%	0.074	42%	0.419	C	S	.	.			trans	-70.6	161.2	176.9	57.6	0	0	0	0	111.7	Y160 E164 E165 R166 I269	Y160-T162 HydrophobicContact CE1-CG2 3.77Å; Y160-T162 WeakPolarHBondContact OH-CG2 3.22Å; T162-E164 WeakPolarHBondContact CB-OE2 3.35Å; T162-E164 PolarHBondContact O-N 3.04Å; T162-E165 PolarHBondContact N-OE2 3.12Å; T162-E165 PolarHBondContact O-N 3.28Å; T162-E165 WeakPolarHBondContact OG1-CB 3.39Å; T162-E165 VanDerWaalsContact OG1-CD 3.24Å; T162-E165 WeakPolarHBondContact OG1-CG 3.47Å; T162-E165 PolarHBondContact OG1-N 3Å; T162-E165 PolarHBondContact OG1-OE2 2.95Å; T162-R166 PolarHBondContact O-N 3.18Å; T162-I269 HydrophobicContact CG2-CB 3.88Å; T162-I269 HydrophobicContact CG2-CD1 3.78Å; T162-I269 HydrophobicContact CG2-CG1 4.39Å; T162-I269 HydrophobicContact CG2-CG2 3.93Å
163	I	98.4	Very high	97.1	Very high	142 Å²	142	84.2 Å²	84.2	73%	0.728	42%	0.421	S	S	*	.	H	α-helix	trans	-58.9	-41.1	174.8	-66.2	173.7	0	0	0	109.6	E165 R166 A167	I163-E165 PolarHBondContact O-N 3.32Å; I163-R166 PolarHBondContact O-N 3.29Å; I163-A167 VanDerWaalsContact O-CB 3.3Å; I163-A167 WeakPolarHBondContact O-CB 3.31Å; I163-A167 PolarHBondContact O-N 3.37Å
164	E	98.1	Very high	97.3	Very high	122 Å²	122	79.8 Å²	79.8	57%	0.57	40%	0.402	S	S	*	.	H	α-helix	trans	-65.6	-38.6	-179.6	-63.9	69.8	-153.1	0	0	112	T162 R168	T162-E164 WeakPolarHBondContact CB-OE2 3.35Å; T162-E164 PolarHBondContact O-N 3.04Å; E164-R168 WeakPolarHBondContact O-CG 3.49Å
165	E	98.4	Very high	97.5	Very high	2 Å²	2	73.7 Å²	73.7	1%	0.009	37%	0.372	C	S	.	.	H	α-helix	trans	-71	-42	174.6	-73.7	167.6	137.3	0	0	112.1	Q161 T162 I163 A167 R168 S211 P268 I269	Q161-E165 HydrophobicContact CG-CB 3.85Å; T162-E165 PolarHBondContact N-OE2 3.12Å; T162-E165 PolarHBondContact O-N 3.28Å; T162-E165 WeakPolarHBondContact OG1-CB 3.39Å; T162-E165 VanDerWaalsContact OG1-CD 3.24Å; T162-E165 WeakPolarHBondContact OG1-CG 3.47Å; T162-E165 PolarHBondContact OG1-N 3Å; T162-E165 PolarHBondContact OG1-OE2 2.95Å; I163-E165 PolarHBondContact O-N 3.32Å; E165-A167 VanDerWaalsContact C-N 3.33Å; E165-A167 PolarHBondContact O-N 3.44Å; E165-R168 WeakPolarHBondContact O-CB 3.49Å; E165-R168 PolarHBondContact O-N 3.2Å; E165-S211 VanDerWaalsContact CD-CB 3.48Å; E165-S211 WeakPolarHBondContact OE1-CB 3.28Å; E165-S211 PolarHBondContact OE2-OG 3.36Å; E165-P268 VanDerWaalsContact OE1-CA 3.26Å; E165-P268 WeakPolarHBondContact OE1-CA 3.37Å; E165-I269 PolarHBondContact OE1-N 2.7Å
166	R	98.5	Very high	97.7	Very high	83 Å²	83	71.1 Å²	71.1	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-40.8	176.5	172.6	56.9	-171.9	74.2	6.2	111.3	Q161 T162 I163 R168 L169 D170 Y173	Q161-R166 HydrophobicContact CG-CB 4.13Å; T162-R166 PolarHBondContact O-N 3.18Å; I163-R166 PolarHBondContact O-N 3.29Å; R166-R168 PolarHBondContact O-N 2.83Å; R166-L169 WeakPolarHBondContact O-CB 3.3Å; R166-L169 PolarHBondContact O-N 3.2Å; R166-D170 IonicContact CZ-OD1 3.73Å; R166-D170 IonicContact NH1-OD1 2.98Å; R166-D170 PolarHBondContact NH1-OD1 3.27Å; R166-D170 IonicContact NH2-OD1 2.69Å; R166-Y173 VanDerWaalsContact NH2-CZ 3.32Å; R166-Y173 PolarHBondContact NH2-OH 3.3Å
167	A	98.3	Very high	97.9	Very high	47 Å²	47	66.5 Å²	66.5	39%	0.388	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-24.9	179.4	0	0	0	0	0	112.8	I163 E165 L169 D170	I163-A167 VanDerWaalsContact O-CB 3.3Å; I163-A167 WeakPolarHBondContact O-CB 3.31Å; I163-A167 PolarHBondContact O-N 3.37Å; E165-A167 VanDerWaalsContact C-N 3.33Å; E165-A167 PolarHBondContact O-N 3.44Å; A167-L169 PolarHBondContact O-N 3.21Å; A167-D170 WeakPolarHBondContact O-CB 3.49Å; A167-D170 PolarHBondContact O-N 3.07Å; A167-D170 VanDerWaalsContact O-N 3.14Å
168	R	97.9	Very high	98.1	Very high	92 Å²	92	60.8 Å²	60.8	35%	0.347	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.8	174.1	-61.5	169.8	-170.1	170.8	2.6	112.9	E164 E165 R166 I209	E164-R168 WeakPolarHBondContact O-CG 3.49Å; E165-R168 WeakPolarHBondContact O-CB 3.49Å; E165-R168 PolarHBondContact O-N 3.2Å; R166-R168 PolarHBondContact O-N 2.83Å; R168-I209 HydrophobicContact CB-CD1 4.12Å; R168-I209 VanDerWaalsContact O-CD1 3.28Å; R168-I209 WeakPolarHBondContact O-CD1 3.49Å
169	L	98.7	Very high	98.3	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-15.3	179.2	-55.8	-178.1	0	0	0	112.9	R166 A167 L172 Y173 R206 I209 D210	R166-L169 WeakPolarHBondContact O-CB 3.3Å; R166-L169 PolarHBondContact O-N 3.2Å; A167-L169 PolarHBondContact O-N 3.21Å; L169-L172 VanDerWaalsContact O-CB 3.31Å; L169-L172 WeakPolarHBondContact O-CB 3.37Å; L169-L172 PolarHBondContact O-N 2.96Å; L169-Y173 HydrophobicContact CB-CD1 4.38Å; L169-Y173 WeakPolarHBondContact O-CD1 3.31Å; L169-Y173 PolarHBondContact O-N 3.43Å; L169-R206 WeakPolarHBondContact CD2-O 3.37Å; L169-I209 HydrophobicContact CD2-CG1 4.02Å; L169-D210 HydrophobicContact CD2-CB 4.14Å
170	D	98.6	Very high	98.4	Very high	87 Å²	87	49.1 Å²	49.1	47%	0.465	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	135.8	178.3	-62.5	-17.7	0	0	0	110.3	R166 A167 L172 Y173	R166-D170 IonicContact CZ-OD1 3.73Å; R166-D170 IonicContact NH1-OD1 2.98Å; R166-D170 PolarHBondContact NH1-OD1 3.27Å; R166-D170 IonicContact NH2-OD1 2.69Å; A167-D170 WeakPolarHBondContact O-CB 3.49Å; A167-D170 PolarHBondContact O-N 3.07Å; A167-D170 VanDerWaalsContact O-N 3.14Å; D170-L172 VanDerWaalsContact C-N 3.3Å; D170-Y173 WeakPolarHBondContact OD1-CE1 3.13Å
171	G	98.4	Very high	98.5	Very high	27 Å²	27	45.5 Å²	45.5	28%	0.278	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	2.6	-170.2	0	0	0	0	0	114.7	E174	G171-E174 VanDerWaalsContact C-OE2 3.27Å; G171-E174 VanDerWaalsContact CA-OE2 3.27Å; G171-E174 WeakPolarHBondContact CA-OE2 3.35Å; G171-E174 VanDerWaalsContact N-CD 3.27Å; G171-E174 PolarHBondContact N-OE1 3.18Å; G171-E174 PolarHBondContact N-OE2 3.14Å
172	L	98.7	Very high	98.6	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.063	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-47.9	177.4	-51.2	177.6	0	0	0	112.7	L169 D170 E174 L202 Q203 Y205 R206 I209 A251	L169-L172 VanDerWaalsContact O-CB 3.31Å; L169-L172 WeakPolarHBondContact O-CB 3.37Å; L169-L172 PolarHBondContact O-N 2.96Å; D170-L172 VanDerWaalsContact C-N 3.3Å; L172-E174 VanDerWaalsContact C-N 3.27Å; L172-E174 PolarHBondContact N-OE2 3.3Å; L172-E174 PolarHBondContact O-N 3.38Å; L172-L202 HydrophobicContact CD2-CD1 4.41Å; L172-L202 HydrophobicContact CD2-CG 4.05Å; L172-L202 VanDerWaalsContact O-CD2 3.3Å; L172-L202 WeakPolarHBondContact O-CD2 3.47Å; L172-Q203 PolarHBondContact O-NE2 2.96Å; L172-Y205 HydrophobicContact CD1-CD1 3.7Å; L172-Y205 HydrophobicContact CD1-CE1 4.09Å; L172-Y205 HydrophobicContact CD2-CD1 3.93Å; L172-R206 HydrophobicContact CB-CB 3.92Å; L172-R206 HydrophobicContact CB-CG 4.2Å; L172-R206 HydrophobicContact CD1-CB 4.32Å; L172-I209 HydrophobicContact CD1-CD1 3.45Å; L172-I209 VanDerWaalsContact CD1-CD1 3.45Å; L172-I209 HydrophobicContact CD1-CG1 4.24Å; L172-A251 HydrophobicContact CD2-CB 4.21Å
173	Y	98.5	Very high	98.6	Very high	114 Å²	114	43.2 Å²	43.2	45%	0.447	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.5	-174.3	78.7	-91.8	0	0	0	113.4	R166 L169 D170 C175	R166-Y173 VanDerWaalsContact NH2-CZ 3.32Å; R166-Y173 PolarHBondContact NH2-OH 3.3Å; L169-Y173 HydrophobicContact CB-CD1 4.38Å; L169-Y173 WeakPolarHBondContact O-CD1 3.31Å; L169-Y173 PolarHBondContact O-N 3.43Å; D170-Y173 WeakPolarHBondContact OD1-CE1 3.13Å; Y173-C175 PolarHBondContact O-N 3.17Å
174	E	98.8	Very high	98.6	Very high	57 Å²	57	36.9 Å²	36.9	27%	0.266	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-1.2	-179.4	-53.5	90.3	147.5	0	0	112.8	G171 L172 I176 L246	G171-E174 VanDerWaalsContact C-OE2 3.27Å; G171-E174 VanDerWaalsContact CA-OE2 3.27Å; G171-E174 WeakPolarHBondContact CA-OE2 3.35Å; G171-E174 VanDerWaalsContact N-CD 3.27Å; G171-E174 PolarHBondContact N-OE1 3.18Å; G171-E174 PolarHBondContact N-OE2 3.14Å; L172-E174 VanDerWaalsContact C-N 3.27Å; L172-E174 PolarHBondContact N-OE2 3.3Å; L172-E174 PolarHBondContact O-N 3.38Å; E174-I176 PolarHBondContact O-N 2.86Å; E174-L246 HydrophobicContact CB-CD2 4.06Å
175	C	98.8	Very high	98.7	Very high	28 Å²	28	31.6 Å²	31.6	19%	0.189	16%	0.164	C	C	.	.			trans	-61.8	121.1	175.2	-177.1	0	0	0	0	110.7	Y173 L177 L202 Q203 L246	Y173-C175 PolarHBondContact O-N 3.17Å; C175-L177 VanDerWaalsContact C-N 3.32Å; C175-L177 PolarHBondContact O-N 2.87Å; C175-L202 HydrophobicContact CB-CD2 3.77Å; C175-Q203 VanDerWaalsContact CB-NE2 3.31Å; C175-L246 HydrophobicContact CB-CD1 3.93Å
176	I	98.8	Very high	98.7	Very high	24 Å²	24	33 Å²	33	12%	0.123	17%	0.173	C	C	.	.			trans	-92.8	13.2	-178.2	64.7	173.1	0	0	0	113.3	I86 L100 E174 C178 K244	I86-I176 HydrophobicContact CD1-CG2 4.3Å; I86-I176 WeakPolarHBondContact O-CB 3.5Å; I86-I176 WeakPolarHBondContact O-CG2 3.35Å; L100-I176 HydrophobicContact CD1-CD1 3.63Å; L100-I176 HydrophobicContact CD2-CD1 4.37Å; E174-I176 PolarHBondContact O-N 2.86Å; I176-C178 HydrophobicContact CD1-CB 4.01Å; I176-C178 HydrophobicContact CG1-CB 3.88Å; I176-C178 PolarHBondContact O-N 3.49Å; I176-C178 VanDerWaalsContact O-N 3.07Å; I176-K244 HydrophobicContact CD1-CD 4.14Å; I176-K244 HydrophobicContact CD1-CG 4.04Å; I176-K244 HydrophobicContact CG1-CG 4.12Å; I176-K244 HydrophobicContact CG2-CD 4.23Å; I176-K244 HydrophobicContact CG2-CG 4.16Å
177	L	98.9	Very high	98.7	Very high	41 Å²	41	29.3 Å²	29.3	22%	0.215	16%	0.16	C	C	.	.			trans	50.1	35.2	-179.2	-63.2	175.2	0	0	0	115	F135 Y139 C175 A179 Q203	F135-L177 HydrophobicContact CE1-CB 4.29Å; F135-L177 WeakPolarHBondContact CE1-O 3.37Å; F135-L177 HydrophobicContact CZ-CD2 4.44Å; Y139-L177 HydrophobicContact CD1-CD1 3.98Å; Y139-L177 HydrophobicContact CD2-CD1 4.48Å; Y139-L177 HydrophobicContact CD2-CD2 4.03Å; Y139-L177 HydrophobicContact CE1-CD1 3.68Å; Y139-L177 HydrophobicContact CE2-CD1 4.23Å; Y139-L177 HydrophobicContact CE2-CD2 4.1Å; Y139-L177 HydrophobicContact CG-CD1 4.36Å; Y139-L177 HydrophobicContact CG-CD2 4.4Å; C175-L177 VanDerWaalsContact C-N 3.32Å; C175-L177 PolarHBondContact O-N 2.87Å; L177-A179 VanDerWaalsContact C-N 3.28Å; L177-A179 PolarHBondContact O-N 3.34Å; L177-Q203 HydrophobicContact CD2-CG 4.27Å
178	C	98.8	Very high	98.7	Very high	13 Å²	13	27.3 Å²	27.3	9%	0.088	14%	0.143	C	C	.	.			trans	-75.8	-6.5	-178	65.9	0	0	0	0	115.6	A91 L100 I176 C180	A91-C178 HydrophobicContact CB-CB 4.07Å; A91-C178 WeakPolarHBondContact CB-O 3.38Å; L100-C178 HydrophobicContact CD2-CB 3.92Å; I176-C178 HydrophobicContact CD1-CB 4.01Å; I176-C178 HydrophobicContact CG1-CB 3.88Å; I176-C178 PolarHBondContact O-N 3.49Å; I176-C178 VanDerWaalsContact O-N 3.07Å; C178-C180 PolarHBondContact O-N 3.28Å
179	A	98.9	Very high	98.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.14	C	C	.	.			trans	60	2.2	-176.3	0	0	0	0	0	117.4	L119 L132 F135 L177 C181 S182 T183	L119-A179 HydrophobicContact CD1-CB 4.07Å; L132-A179 HydrophobicContact CD2-CB 4.05Å; F135-A179 HydrophobicContact CD1-CB 4.26Å; F135-A179 HydrophobicContact CD2-CB 3.82Å; F135-A179 HydrophobicContact CE1-CB 4.09Å; F135-A179 HydrophobicContact CE2-CB 3.61Å; F135-A179 HydrophobicContact CG-CB 4.14Å; F135-A179 HydrophobicContact CZ-CB 3.77Å; L177-A179 VanDerWaalsContact C-N 3.28Å; L177-A179 PolarHBondContact O-N 3.34Å; A179-C181 VanDerWaalsContact C-N 3.27Å; A179-C181 PolarHBondContact O-N 3.19Å; A179-S182 PolarHBondContact O-N 2.96Å; A179-T183 HydrophobicContact CB-CG2 4.32Å; A179-T183 WeakPolarHBondContact O-CB 3.21Å; A179-T183 WeakPolarHBondContact O-CG2 2.96Å; A179-T183 PolarHBondContact O-N 3.49Å; A179-T183 PolarHBondContact O-OG1 2.75Å
180	C	98.9	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-44.1	177.2	-71.1	0	0	0	0	112.6	N98 C178 T183 S184	N98-C180 HydrophobicContact CB-CB 3.92Å; N98-C180 PolarHBondContact ND2-O 3.37Å; C178-C180 PolarHBondContact O-N 3.28Å; C180-T183 PolarHBondContact O-OG1 3Å; C180-S184 VanDerWaalsContact O-CB 3.3Å; C180-S184 WeakPolarHBondContact O-CB 3.46Å; C180-S184 PolarHBondContact O-N 3.01Å; C180-S184 VanDerWaalsContact O-N 3.13Å; C180-S184 PolarHBondContact O-OG 3.46Å
181	C	98.9	Very high	98.7	Very high	11 Å²	11	33.5 Å²	33.5	7%	0.074	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-46.8	-179.6	55.2	0	0	0	0	112.1	A179 S184 C185 P198 C238 P248	A179-C181 VanDerWaalsContact C-N 3.27Å; A179-C181 PolarHBondContact O-N 3.19Å; C181-S184 PolarHBondContact O-N 2.9Å; C181-S184 PolarHBondContact O-OG 3.2Å; C181-C185 PolarHBondContact O-N 3.49Å; C181-P198 VanDerWaalsContact C-CG 3.47Å; C181-P198 HydrophobicContact CB-CB 4.37Å; C181-P198 HydrophobicContact CB-CG 4.01Å; C181-P198 WeakPolarHBondContact O-CG 3.14Å; C181-C238 HydrophobicContact CB-CB 3.84Å; C181-C238 WeakPolarHBondContact CB-O 3.2Å; C181-P248 HydrophobicContact CB-CG 4.3Å
182	S	98.9	Very high	98.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-64.7	-44.3	180	-62.9	0	0	0	0	111.9	A179 S184 C185 Y188 P198 A199	A179-S182 PolarHBondContact O-N 2.96Å; S182-S184 PolarHBondContact O-N 3.01Å; S182-C185 WeakPolarHBondContact O-CB 3.16Å; S182-C185 PolarHBondContact O-N 3.42Å; S182-C185 VanDerWaalsContact O-N 3.07Å; S182-Y188 WeakPolarHBondContact O-CB 3.17Å; S182-Y188 WeakPolarHBondContact O-CD1 3.45Å; S182-P198 WeakPolarHBondContact OG-CD 3.47Å; S182-A199 WeakPolarHBondContact OG-CB 3.46Å; S182-A199 PolarHBondContact OG-N 3.2Å
183	T	98.8	Very high	98.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-77	0.6	178.7	59.8	0	0	0	0	113.6	N98 L119 P120 M122 A179 C180 W189	N98-T183 PolarHBondContact ND2-O 3.36Å; N98-T183 PolarHBondContact ND2-OG1 3.15Å; L119-T183 HydrophobicContact CB-CG2 3.92Å; L119-T183 HydrophobicContact CD1-CG2 4.08Å; L119-T183 WeakPolarHBondContact CD2-OG1 3.48Å; P120-T183 WeakPolarHBondContact CD-O 3.13Å; M122-T183 HydrophobicContact CG-CG2 3.82Å; M122-T183 HydrophobicContact SD-CG2 3.56Å; M122-T183 VanDerWaalsContact SD-CG2 3.56Å; A179-T183 HydrophobicContact CB-CG2 4.32Å; A179-T183 WeakPolarHBondContact O-CB 3.21Å; A179-T183 WeakPolarHBondContact O-CG2 2.96Å; A179-T183 PolarHBondContact O-N 3.49Å; A179-T183 PolarHBondContact O-OG1 2.75Å; C180-T183 PolarHBondContact O-OG1 3Å; T183-W189 PolarHBondContact O-NE1 2.78Å
184	S	98.8	Very high	98.6	Very high	10 Å²	10	37 Å²	37	7%	0.07	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-98.8	-7.6	168.1	73.9	0	0	0	0	113	N98 C180 C181 S182 P186 N237	N98-S184 PolarHBondContact ND2-N 3.11Å; C180-S184 VanDerWaalsContact O-CB 3.3Å; C180-S184 WeakPolarHBondContact O-CB 3.46Å; C180-S184 PolarHBondContact O-N 3.01Å; C180-S184 VanDerWaalsContact O-N 3.13Å; C180-S184 PolarHBondContact O-OG 3.46Å; C181-S184 PolarHBondContact O-N 2.9Å; C181-S184 PolarHBondContact O-OG 3.2Å; S182-S184 PolarHBondContact O-N 3.01Å; S184-P186 WeakPolarHBondContact O-CD 3.45Å; S184-N237 WeakPolarHBondContact O-CB 3.29Å; S184-N237 PolarHBondContact O-ND2 3.04Å; S184-N237 PolarHBondContact OG-O 3.49Å
185	C	98.8	Very high	98.6	Very high	10 Å²	10	34.3 Å²	34.3	7%	0.068	17%	0.168	C	C	.	.			trans	-93.7	115.8	-172.9	-177.9	0	0	0	0	110.7	C181 S182 S187 Y188 W189 P198	C181-C185 PolarHBondContact O-N 3.49Å; S182-C185 WeakPolarHBondContact O-CB 3.16Å; S182-C185 PolarHBondContact O-N 3.42Å; S182-C185 VanDerWaalsContact O-N 3.07Å; C185-S187 VanDerWaalsContact C-N 3.28Å; C185-S187 PolarHBondContact O-N 3.19Å; C185-Y188 WeakPolarHBondContact O-CA 3.49Å; C185-Y188 WeakPolarHBondContact O-CB 3.37Å; C185-Y188 PolarHBondContact O-N 3.49Å; C185-W189 PolarHBondContact O-N 2.77Å; C185-W189 VanDerWaalsContact O-N 3.1Å; C185-P198 HydrophobicContact CB-CG 4.38Å
186	P	98.6	Very high	98.6	Very high	31 Å²	31	33.7 Å²	33.7	20%	0.201	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-38.4	177.3	-27.1	36.1	0	0	0	113.4	S184 Y188 W189 W190 I235	S184-P186 WeakPolarHBondContact O-CD 3.45Å; P186-Y188 PolarHBondContact O-N 3.27Å; P186-W189 HydrophobicContact CB-CE3 4.15Å; P186-W189 HydrophobicContact CB-CZ3 4.48Å; P186-W189 HydrophobicContact CG-CE3 4.36Å; P186-W189 HydrophobicContact CG-CZ3 4.26Å; P186-W189 WeakPolarHBondContact O-CB 3.37Å; P186-W189 PolarHBondContact O-N 2.87Å; P186-W189 VanDerWaalsContact O-N 3.08Å; P186-W190 PolarHBondContact O-N 3Å; P186-W190 VanDerWaalsContact O-N 3.12Å; P186-I235 HydrophobicContact CB-CD1 4.05Å; P186-I235 HydrophobicContact CG-CD1 4.02Å; P186-I235 HydrophobicContact CG-CG2 4.29Å
187	S	98.6	Very high	98.6	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-57.5	-34.6	175.1	-59.7	0	0	0	0	113	C185 N191 R231	C185-S187 VanDerWaalsContact C-N 3.28Å; C185-S187 PolarHBondContact O-N 3.19Å; S187-N191 PolarHBondContact O-N 2.7Å; S187-N191 VanDerWaalsContact O-N 3.15Å; S187-N191 PolarHBondContact O-ND2 3.16Å; S187-R231 WeakPolarHBondContact CB-O 3.08Å; S187-R231 PolarHBondContact OG-O 3.41Å
188	Y	98.8	Very high	98.6	Very high	5 Å²	5	30.6 Å²	30.6	2%	0.02	15%	0.147	C	C	.	.	H	α-helix	trans	-75.4	-37	177	-167.3	-98	0	0	0	111.4	Q138 S182 C185 P186 W190 N191 A192 Y195	Q138-Y188 PolarHBondContact NE2-OH 3.48Å; S182-Y188 WeakPolarHBondContact O-CB 3.17Å; S182-Y188 WeakPolarHBondContact O-CD1 3.45Å; C185-Y188 WeakPolarHBondContact O-CA 3.49Å; C185-Y188 WeakPolarHBondContact O-CB 3.37Å; C185-Y188 PolarHBondContact O-N 3.49Å; P186-Y188 PolarHBondContact O-N 3.27Å; Y188-W190 VanDerWaalsContact C-N 3.27Å; Y188-W190 PolarHBondContact O-N 3.27Å; Y188-N191 PolarHBondContact O-N 3.31Å; Y188-A192 HydrophobicContact CD1-CB 4.1Å; Y188-A192 HydrophobicContact CD2-CB 4.38Å; Y188-A192 HydrophobicContact CE1-CB 3.82Å; Y188-A192 HydrophobicContact CE2-CB 4.14Å; Y188-A192 HydrophobicContact CG-CB 4.37Å; Y188-A192 WeakPolarHBondContact O-CA 3.18Å; Y188-A192 WeakPolarHBondContact O-CB 3.27Å; Y188-A192 PolarHBondContact O-N 2.93Å; Y188-Y195 HydrophobicContact CD2-CD1 4.07Å; Y188-Y195 WeakPolarHBondContact CD2-O 3.31Å; Y188-Y195 WeakPolarHBondContact CE2-O 3.46Å
189	W	98.6	Very high	98.6	Very high	76 Å²	76	30.1 Å²	30.1	29%	0.288	14%	0.143	S	C	.	.	H	α-helix	trans	-55	-46.9	172.5	-57.6	-16.2	0	0	0	111.2	P120 H121 T183 C185 P186	P120-W189 HydrophobicContact CB-CZ2 3.95Å; P120-W189 HydrophobicContact CG-CZ2 4.47Å; H121-W189 HydrophobicContact CB-CB 3.91Å; H121-W189 HydrophobicContact CB-CD2 4.4Å; H121-W189 HydrophobicContact CB-CG 3.7Å; H121-W189 PolarHBondContact CE1-O 2.95Å; H121-W189 PolarHBondContact ND1-O 3.3Å; H121-W189 PolarHBondContact NE2-O 2.95Å; T183-W189 PolarHBondContact O-NE1 2.78Å; C185-W189 PolarHBondContact O-N 2.77Å; C185-W189 VanDerWaalsContact O-N 3.1Å; P186-W189 HydrophobicContact CB-CE3 4.15Å; P186-W189 HydrophobicContact CB-CZ3 4.48Å; P186-W189 HydrophobicContact CG-CE3 4.36Å; P186-W189 HydrophobicContact CG-CZ3 4.26Å; P186-W189 WeakPolarHBondContact O-CB 3.37Å; P186-W189 PolarHBondContact O-N 2.87Å; P186-W189 VanDerWaalsContact O-N 3.08Å
190	W	98.4	Very high	98.6	Very high	191 Å²	191	30 Å²	30	72%	0.723	14%	0.143	S	C	*	.	H	α-helix	trans	-81.1	-21.6	-175	-56.7	120.4	0	0	0	115.2	P186 Y188	P186-W190 PolarHBondContact O-N 3Å; P186-W190 VanDerWaalsContact O-N 3.12Å; Y188-W190 VanDerWaalsContact C-N 3.27Å; Y188-W190 PolarHBondContact O-N 3.27Å
191	N	98.2	Very high	98.6	Very high	44 Å²	44	30 Å²	30	24%	0.235	14%	0.143	C	C	.	.	H	α-helix	trans	-142.3	31.7	-170.3	-54.9	-92.5	0	0	0	112.9	S187 Y188 D193 K194 Y195	S187-N191 PolarHBondContact O-N 2.7Å; S187-N191 VanDerWaalsContact O-N 3.15Å; S187-N191 PolarHBondContact O-ND2 3.16Å; Y188-N191 PolarHBondContact O-N 3.31Å; N191-D193 VanDerWaalsContact C-OD1 3.28Å; N191-D193 PolarHBondContact O-N 2.96Å; N191-D193 VanDerWaalsContact O-N 3.1Å; N191-K194 PolarHBondContact O-N 3.21Å; N191-Y195 WeakPolarHBondContact O-CB 3.32Å; N191-Y195 PolarHBondContact O-N 3.37Å
192	A	98	Very high	98.6	Very high	19 Å²	19	29.6 Å²	29.6	16%	0.157	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.7	-176.6	0	0	0	0	0	113.3	L134 Q138 Y188 K194	L134-A192 HydrophobicContact CD2-CB 3.99Å; Q138-A192 PolarHBondContact NE2-O 2.92Å; Y188-A192 HydrophobicContact CD1-CB 4.1Å; Y188-A192 HydrophobicContact CD2-CB 4.38Å; Y188-A192 HydrophobicContact CE1-CB 3.82Å; Y188-A192 HydrophobicContact CE2-CB 4.14Å; Y188-A192 HydrophobicContact CG-CB 4.37Å; Y188-A192 WeakPolarHBondContact O-CA 3.18Å; Y188-A192 WeakPolarHBondContact O-CB 3.27Å; Y188-A192 PolarHBondContact O-N 2.93Å; A192-K194 VanDerWaalsContact C-N 3.26Å; A192-K194 PolarHBondContact O-N 2.96Å
193	D	96.9	Very high	98.6	Very high	106 Å²	106	30.1 Å²	30.1	57%	0.567	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.8	177.8	62.8	-44	0	0	0	113.6	N191	N191-D193 VanDerWaalsContact C-OD1 3.28Å; N191-D193 PolarHBondContact O-N 2.96Å; N191-D193 VanDerWaalsContact O-N 3.1Å
194	K	97.9	Very high	98.6	Very high	102 Å²	102	30.3 Å²	30.3	44%	0.443	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-37.5	-176.1	-59.1	169.6	-164.7	169.7	0	113.9	N191 A192 L196 F227	N191-K194 PolarHBondContact O-N 3.21Å; A192-K194 VanDerWaalsContact C-N 3.26Å; A192-K194 PolarHBondContact O-N 2.96Å; K194-L196 PolarHBondContact O-N 3.27Å; K194-F227 HydrophobicContact CB-CB 3.58Å; K194-F227 HydrophobicContact CB-CD1 3.74Å; K194-F227 HydrophobicContact CB-CG 3.7Å; K194-F227 HydrophobicContact CD-CD1 3.77Å; K194-F227 HydrophobicContact CD-CD2 4.1Å; K194-F227 HydrophobicContact CD-CE1 3.83Å; K194-F227 HydrophobicContact CD-CE2 4.17Å; K194-F227 HydrophobicContact CD-CG 3.91Å; K194-F227 HydrophobicContact CD-CZ 4.04Å; K194-F227 HydrophobicContact CG-CD1 4.4Å; K194-F227 HydrophobicContact CG-CG 4.42Å
195	Y	98.7	Very high	98.6	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	15%	0.147	C	C	.	.			trans	-80.1	118.9	177.3	175.4	-130.9	0	0	0	110	Q138 Y188 N191 G197 L201 S228 R231 C232	Q138-Y195 PolarHBondContact OE1-O 3.15Å; Y188-Y195 HydrophobicContact CD2-CD1 4.07Å; Y188-Y195 WeakPolarHBondContact CD2-O 3.31Å; Y188-Y195 WeakPolarHBondContact CE2-O 3.46Å; N191-Y195 WeakPolarHBondContact O-CB 3.32Å; N191-Y195 PolarHBondContact O-N 3.37Å; Y195-G197 PolarHBondContact O-N 3.08Å; Y195-G197 VanDerWaalsContact O-N 3.12Å; Y195-L201 HydrophobicContact CE2-CD1 3.61Å; Y195-S228 VanDerWaalsContact CD2-O 3.3Å; Y195-S228 WeakPolarHBondContact CD2-O 3.39Å; Y195-R231 HydrophobicContact CD1-CB 4.31Å; Y195-R231 HydrophobicContact CD2-CB 3.74Å; Y195-R231 HydrophobicContact CE2-CB 4.34Å; Y195-R231 HydrophobicContact CG-CB 3.74Å; Y195-R231 HydrophobicContact CG-CG 4.49Å; Y195-C232 HydrophobicContact CE2-CB 4.34Å
196	L	98.7	Very high	98.6	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.073	15%	0.15	C	C	.	.			trans	-64	-21.6	-176	-64.5	178.9	0	0	0	113.7	Q138 I142 K194 I200 L201 I223 S228	Q138-L196 HydrophobicContact CB-CD2 4.15Å; Q138-L196 HydrophobicContact CG-CD2 4.16Å; Q138-L196 VanDerWaalsContact OE1-C 3.26Å; Q138-L196 PolarHBondContact OE1-O 3.12Å; I142-L196 HydrophobicContact CG2-CD1 4.09Å; K194-L196 PolarHBondContact O-N 3.27Å; L196-I200 HydrophobicContact CB-CB 4.13Å; L196-I200 HydrophobicContact CB-CG2 4.06Å; L196-I200 HydrophobicContact CD1-CG2 4.4Å; L196-I200 HydrophobicContact CD2-CG2 4.5Å; L196-I200 VanDerWaalsContact O-CB 3.27Å; L196-I200 WeakPolarHBondContact O-CB 3.38Å; L196-I200 WeakPolarHBondContact O-CG1 3.38Å; L196-L201 HydrophobicContact CB-CD2 4.31Å; L196-L201 HydrophobicContact CB-CG 4.18Å; L196-L201 HydrophobicContact CD1-CD2 4.12Å; L196-I223 HydrophobicContact CD1-CG2 3.61Å; L196-S228 PolarHBondContact N-O 3.37Å
197	G	98.8	Very high	98.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	77.1	164.8	-179.3	0	0	0	0	0	114.6	Y195 A199 I200 L201	Y195-G197 PolarHBondContact O-N 3.08Å; Y195-G197 VanDerWaalsContact O-N 3.12Å; G197-A199 PolarHBondContact O-N 2.85Å; G197-I200 PolarHBondContact O-N 3.1Å; G197-L201 WeakPolarHBondContact O-CB 3.2Å; G197-L201 VanDerWaalsContact O-CG 3.31Å; G197-L201 WeakPolarHBondContact O-CG 3.45Å; G197-L201 PolarHBondContact O-N 3.31Å
198	P	98.9	Very high	98.6	Very high	1 Å²	1	32 Å²	32	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-63.9	-36.6	-173.2	24.5	-37.2	0	0	0	115.1	C181 S182 C185 L202 C238 P248 I252	C181-P198 VanDerWaalsContact C-CG 3.47Å; C181-P198 HydrophobicContact CB-CB 4.37Å; C181-P198 HydrophobicContact CB-CG 4.01Å; C181-P198 WeakPolarHBondContact O-CG 3.14Å; S182-P198 WeakPolarHBondContact OG-CD 3.47Å; C185-P198 HydrophobicContact CB-CG 4.38Å; P198-L202 VanDerWaalsContact O-CB 3.31Å; P198-L202 WeakPolarHBondContact O-CB 3.31Å; P198-L202 PolarHBondContact O-N 3.34Å; P198-C238 HydrophobicContact CB-CB 3.49Å; P198-C238 VanDerWaalsContact CB-CB 3.49Å; P198-C238 HydrophobicContact CG-CB 3.6Å; P198-P248 HydrophobicContact CB-CB 3.66Å; P198-P248 HydrophobicContact CB-CG 4.45Å; P198-I252 HydrophobicContact CB-CD1 4.1Å
199	A	98.9	Very high	98.5	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-46.1	179.6	0	0	0	0	0	111.4	F135 S182 G197 L202 Q203	F135-A199 HydrophobicContact CE2-CB 3.56Å; F135-A199 HydrophobicContact CZ-CB 3.71Å; S182-A199 WeakPolarHBondContact OG-CB 3.46Å; S182-A199 PolarHBondContact OG-N 3.2Å; G197-A199 PolarHBondContact O-N 2.85Å; A199-L202 PolarHBondContact O-N 3.03Å; A199-Q203 PolarHBondContact O-N 3.41Å
200	I	98.8	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-71.7	-43.5	-176.5	-53.4	-46.3	0	0	0	109.6	F135 Q138 Y139 I142 L196 G197 L202 Q203 T204	F135-I200 HydrophobicContact CD2-CD1 4.49Å; F135-I200 HydrophobicContact CE2-CD1 4.14Å; F135-I200 HydrophobicContact CZ-CD1 4.23Å; Q138-I200 HydrophobicContact CB-CG1 4.02Å; Y139-I200 HydrophobicContact CD2-CD1 4.15Å; Y139-I200 HydrophobicContact CG-CD1 4.33Å; I142-I200 HydrophobicContact CD1-CG2 4.09Å; I142-I200 HydrophobicContact CG1-CG2 4.2Å; I142-I200 HydrophobicContact CG2-CG2 3.55Å; L196-I200 HydrophobicContact CB-CB 4.13Å; L196-I200 HydrophobicContact CB-CG2 4.06Å; L196-I200 HydrophobicContact CD1-CG2 4.4Å; L196-I200 HydrophobicContact CD2-CG2 4.5Å; L196-I200 VanDerWaalsContact O-CB 3.27Å; L196-I200 WeakPolarHBondContact O-CB 3.38Å; L196-I200 WeakPolarHBondContact O-CG1 3.38Å; G197-I200 PolarHBondContact O-N 3.1Å; I200-L202 VanDerWaalsContact C-N 3.32Å; I200-L202 PolarHBondContact O-N 3.44Å; I200-Q203 CarbonylContact O-C 3.51Å; I200-Q203 WeakPolarHBondContact O-CA 3.49Å; I200-Q203 WeakPolarHBondContact O-CB 3.37Å; I200-Q203 PolarHBondContact O-N 3.12Å; I200-T204 PolarHBondContact O-N 2.92Å; I200-T204 PolarHBondContact O-OG1 2.93Å; I200-T204 VanDerWaalsContact O-OG1 3.06Å
201	L	98.9	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.8	-33.4	176.4	-67.9	169.3	0	0	0	112.9	Y195 L196 G197 Q203 T204 Y205 I223 A229 I252 I255	Y195-L201 HydrophobicContact CE2-CD1 3.61Å; L196-L201 HydrophobicContact CB-CD2 4.31Å; L196-L201 HydrophobicContact CB-CG 4.18Å; L196-L201 HydrophobicContact CD1-CD2 4.12Å; G197-L201 WeakPolarHBondContact O-CB 3.2Å; G197-L201 VanDerWaalsContact O-CG 3.31Å; G197-L201 WeakPolarHBondContact O-CG 3.45Å; G197-L201 PolarHBondContact O-N 3.31Å; L201-Q203 VanDerWaalsContact C-N 3.33Å; L201-T204 WeakPolarHBondContact O-CB 3.26Å; L201-T204 PolarHBondContact O-N 3.39Å; L201-Y205 PolarHBondContact O-N 3.47Å; L201-I223 HydrophobicContact CD2-CD1 4.49Å; L201-A229 HydrophobicContact CD2-CB 4.03Å; L201-I252 HydrophobicContact CB-CD1 4.44Å; L201-I252 HydrophobicContact CB-CG1 3.71Å; L201-I252 HydrophobicContact CD1-CD1 4.13Å; L201-I252 HydrophobicContact CD1-CG1 3.87Å; L201-I252 HydrophobicContact CD1-CG2 4.39Å; L201-I252 HydrophobicContact CG-CG1 4.44Å; L201-I255 HydrophobicContact CB-CD1 4.09Å; L201-I255 HydrophobicContact CD2-CD1 4.3Å; L201-I255 WeakPolarHBondContact O-CD1 3.19Å
202	L	98.9	Very high	98.5	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-42.2	170.8	176.1	149.6	0	0	0	111.2	L172 C175 P198 A199 I200 Y205 R206 L246 P248 A251	L172-L202 HydrophobicContact CD2-CD1 4.41Å; L172-L202 HydrophobicContact CD2-CG 4.05Å; L172-L202 VanDerWaalsContact O-CD2 3.3Å; L172-L202 WeakPolarHBondContact O-CD2 3.47Å; C175-L202 HydrophobicContact CB-CD2 3.77Å; P198-L202 VanDerWaalsContact O-CB 3.31Å; P198-L202 WeakPolarHBondContact O-CB 3.31Å; P198-L202 PolarHBondContact O-N 3.34Å; A199-L202 PolarHBondContact O-N 3.03Å; I200-L202 VanDerWaalsContact C-N 3.32Å; I200-L202 PolarHBondContact O-N 3.44Å; L202-Y205 PolarHBondContact O-N 3.15Å; L202-R206 PolarHBondContact O-N 3.2Å; L202-L246 HydrophobicContact CD1-CB 4.18Å; L202-L246 HydrophobicContact CD1-CD1 4.47Å; L202-P248 HydrophobicContact CB-CB 4.32Å; L202-P248 HydrophobicContact CD1-CB 4.14Å; L202-P248 HydrophobicContact CD1-CG 3.89Å; L202-A251 HydrophobicContact CB-CB 4.28Å; L202-A251 HydrophobicContact CG-CB 4.39Å
203	Q	98.9	Very high	98.5	Very high	11 Å²	11	20.3 Å²	20.3	5%	0.051	9%	0.092	C	C	.	.	H	α-helix	trans	-69.4	-34.1	174.6	-71.3	-61.1	-51.5	0	0	112.8	Y139 I142 L172 C175 L177 A199 I200 L201 Y205 R206 W207	Y139-Q203 HydrophobicContact CD2-CB 4.34Å; Y139-Q203 HydrophobicContact CD2-CG 4.36Å; Y139-Q203 HydrophobicContact CE2-CB 3.93Å; Y139-Q203 HydrophobicContact CE2-CG 3.81Å; I142-Q203 HydrophobicContact CD1-CB 3.69Å; L172-Q203 PolarHBondContact O-NE2 2.96Å; C175-Q203 VanDerWaalsContact CB-NE2 3.31Å; L177-Q203 HydrophobicContact CD2-CG 4.27Å; A199-Q203 PolarHBondContact O-N 3.41Å; I200-Q203 CarbonylContact O-C 3.51Å; I200-Q203 WeakPolarHBondContact O-CA 3.49Å; I200-Q203 WeakPolarHBondContact O-CB 3.37Å; I200-Q203 PolarHBondContact O-N 3.12Å; L201-Q203 VanDerWaalsContact C-N 3.33Å; Q203-Y205 VanDerWaalsContact C-N 3.33Å; Q203-Y205 PolarHBondContact O-N 3.11Å; Q203-R206 WeakPolarHBondContact O-CB 3.47Å; Q203-R206 PolarHBondContact O-N 3.12Å; Q203-W207 PolarHBondContact O-N 3.4Å
204	T	98.8	Very high	98.6	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.031	8%	0.079	C	C	.	.	H	α-helix	trans	-59.2	-48.3	170.7	-55	0	0	0	0	110	I142 I200 L201 R206 W207 L208 I223	I142-T204 WeakPolarHBondContact CG2-OG1 3.48Å; I200-T204 PolarHBondContact O-N 2.92Å; I200-T204 PolarHBondContact O-OG1 2.93Å; I200-T204 VanDerWaalsContact O-OG1 3.06Å; L201-T204 WeakPolarHBondContact O-CB 3.26Å; L201-T204 PolarHBondContact O-N 3.39Å; T204-R206 VanDerWaalsContact C-N 3.33Å; T204-R206 PolarHBondContact O-N 3.25Å; T204-W207 PolarHBondContact O-N 3.32Å; T204-W207 VanDerWaalsContact O-N 3.12Å; T204-L208 HydrophobicContact CG2-CD1 4Å; T204-L208 HydrophobicContact CG2-CG 4.27Å; T204-L208 VanDerWaalsContact O-CG 3.31Å; T204-L208 WeakPolarHBondContact O-CG 3.47Å; T204-L208 PolarHBondContact O-N 2.9Å; T204-I223 HydrophobicContact CG2-CD1 4.13Å
205	Y	98.8	Very high	98.6	Very high	36 Å²	36	16.4 Å²	16.4	14%	0.141	7%	0.07	C	C	.	.	H	α-helix	trans	-60.9	-41.1	178.1	-169.8	-121.9	0	0	0	112.4	L172 L201 L202 Q203 W207 L208 I209 A251 N254 I255 L258	L172-Y205 HydrophobicContact CD1-CD1 3.7Å; L172-Y205 HydrophobicContact CD1-CE1 4.09Å; L172-Y205 HydrophobicContact CD2-CD1 3.93Å; L201-Y205 PolarHBondContact O-N 3.47Å; L202-Y205 PolarHBondContact O-N 3.15Å; Q203-Y205 VanDerWaalsContact C-N 3.33Å; Q203-Y205 PolarHBondContact O-N 3.11Å; Y205-W207 PolarHBondContact O-N 2.99Å; Y205-L208 PolarHBondContact O-N 3.37Å; Y205-L208 VanDerWaalsContact O-N 3.13Å; Y205-I209 HydrophobicContact CD1-CD1 4.16Å; Y205-I209 HydrophobicContact CD2-CG2 3.9Å; Y205-I209 HydrophobicContact CE1-CD1 3.69Å; Y205-I209 HydrophobicContact CE1-CG2 4.25Å; Y205-I209 HydrophobicContact CE2-CG2 3.3Å; Y205-I209 VanDerWaalsContact CZ-CG2 3.49Å; Y205-I209 WeakPolarHBondContact O-CG1 3.46Å; Y205-I209 PolarHBondContact O-N 3.49Å; Y205-I209 VanDerWaalsContact O-N 3.11Å; Y205-A251 HydrophobicContact CD1-CB 3.82Å; Y205-A251 HydrophobicContact CG-CB 4.17Å; Y205-N254 HydrophobicContact CD2-CB 4.08Å; Y205-N254 HydrophobicContact CE1-CB 3.99Å; Y205-N254 HydrophobicContact CE2-CB 3.38Å; Y205-N254 WeakPolarHBondContact OH-CB 3.43Å; Y205-N254 PolarHBondContact OH-ND2 3.12Å; Y205-N254 VanDerWaalsContact OH-ND2 3.16Å; Y205-I255 HydrophobicContact CD2-CG1 3.87Å; Y205-I255 HydrophobicContact CG-CG1 4.26Å; Y205-L258 HydrophobicContact CD2-CD1 4.4Å; Y205-L258 HydrophobicContact CE2-CD1 4.12Å
206	R	98.8	Very high	98.5	Very high	34 Å²	34	17.3 Å²	17.3	13%	0.128	8%	0.076	C	C	.	.	H	α-helix	trans	-52.6	-36.5	173.9	176.9	-95.3	176.8	-89.1	6.5	113.1	L169 L172 L202 Q203 T204 D210	L169-R206 WeakPolarHBondContact CD2-O 3.37Å; L172-R206 HydrophobicContact CB-CB 3.92Å; L172-R206 HydrophobicContact CB-CG 4.2Å; L172-R206 HydrophobicContact CD1-CB 4.32Å; L202-R206 PolarHBondContact O-N 3.2Å; Q203-R206 WeakPolarHBondContact O-CB 3.47Å; Q203-R206 PolarHBondContact O-N 3.12Å; T204-R206 VanDerWaalsContact C-N 3.33Å; T204-R206 PolarHBondContact O-N 3.25Å; R206-D210 IonicContact CZ-OD2 3.85Å; R206-D210 IonicContact NH1-OD2 3.11Å; R206-D210 PolarHBondContact NH1-OD2 3.13Å; R206-D210 IonicContact NH2-OD2 3.69Å
207	W	98.8	Very high	98.4	Very high	22 Å²	22	23.3 Å²	23.3	8%	0.083	10%	0.101	C	C	.	.	H	α-helix	trans	-86.7	-33.8	177.4	-71.1	108.8	0	0	0	112.8	P144 W145 L146 Q203 T204 Y205 I209	P144-W207 WeakPolarHBondContact O-CZ2 3.47Å; W145-W207 VanDerWaalsContact C-CZ3 3.41Å; W145-W207 VanDerWaalsContact CA-CZ2 3.49Å; L146-W207 VanDerWaalsContact CA-CZ3 3.41Å; L146-W207 HydrophobicContact CB-CH2 4.3Å; L146-W207 HydrophobicContact CB-CZ3 3.82Å; L146-W207 HydrophobicContact CD1-CZ3 4.18Å; L146-W207 VanDerWaalsContact N-CH2 3.31Å; Q203-W207 PolarHBondContact O-N 3.4Å; T204-W207 PolarHBondContact O-N 3.32Å; T204-W207 VanDerWaalsContact O-N 3.12Å; Y205-W207 PolarHBondContact O-N 2.99Å; W207-I209 VanDerWaalsContact C-N 3.29Å; W207-I209 PolarHBondContact O-N 3.33Å
208	L	98.5	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-40.4	176.7	-72.2	171.9	0	0	0	112.2	T204 Y205 T216 R219 L220 I255 L258 K265	T204-L208 HydrophobicContact CG2-CD1 4Å; T204-L208 HydrophobicContact CG2-CG 4.27Å; T204-L208 VanDerWaalsContact O-CG 3.31Å; T204-L208 WeakPolarHBondContact O-CG 3.47Å; T204-L208 PolarHBondContact O-N 2.9Å; Y205-L208 PolarHBondContact O-N 3.37Å; Y205-L208 VanDerWaalsContact O-N 3.13Å; L208-T216 HydrophobicContact CD2-CG2 3.86Å; L208-T216 WeakPolarHBondContact CD2-O 3.47Å; L208-T216 PolarHBondContact O-OG1 3.48Å; L208-R219 HydrophobicContact CD2-CB 3.56Å; L208-R219 HydrophobicContact CG-CB 4.5Å; L208-L220 HydrophobicContact CD1-CD2 3.75Å; L208-L220 HydrophobicContact CD1-CG 4.45Å; L208-L220 HydrophobicContact CD2-CD2 3.97Å; L208-L220 HydrophobicContact CD2-CG 3.74Å; L208-I255 HydrophobicContact CD1-CG1 3.89Å; L208-L258 HydrophobicContact CB-CD1 4.3Å; L208-L258 HydrophobicContact CD1-CD1 4.11Å; L208-K265 WeakPolarHBondContact O-CD 3.31Å; L208-K265 VanDerWaalsContact O-CE 3.29Å; L208-K265 WeakPolarHBondContact O-CE 3.34Å; L208-K265 PolarHBondContact O-NZ 3.34Å; L208-K265 VanDerWaalsContact O-NZ 3.17Å
209	I	98.3	Very high	98.4	Very high	19 Å²	19	26 Å²	26	10%	0.097	11%	0.113	C	C	.	.	S	Bend	trans	-98	-5.3	-174.3	71.8	178.6	0	0	0	115	R168 L169 L172 Y205 W207 S211	R168-I209 HydrophobicContact CB-CD1 4.12Å; R168-I209 VanDerWaalsContact O-CD1 3.28Å; R168-I209 WeakPolarHBondContact O-CD1 3.49Å; L169-I209 HydrophobicContact CD2-CG1 4.02Å; L172-I209 HydrophobicContact CD1-CD1 3.45Å; L172-I209 VanDerWaalsContact CD1-CD1 3.45Å; L172-I209 HydrophobicContact CD1-CG1 4.24Å; Y205-I209 HydrophobicContact CD1-CD1 4.16Å; Y205-I209 HydrophobicContact CD2-CG2 3.9Å; Y205-I209 HydrophobicContact CE1-CD1 3.69Å; Y205-I209 HydrophobicContact CE1-CG2 4.25Å; Y205-I209 HydrophobicContact CE2-CG2 3.3Å; Y205-I209 VanDerWaalsContact CZ-CG2 3.49Å; Y205-I209 WeakPolarHBondContact O-CG1 3.46Å; Y205-I209 PolarHBondContact O-N 3.49Å; Y205-I209 VanDerWaalsContact O-N 3.11Å; W207-I209 VanDerWaalsContact C-N 3.29Å; W207-I209 PolarHBondContact O-N 3.33Å; I209-S211 PolarHBondContact O-N 2.94Å; I209-S211 VanDerWaalsContact O-N 3.15Å
210	D	98.7	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.119	C	C	.	.			trans	-64.8	116	175.4	-166.4	-35.1	0	0	0	108.6	Q161 L169 R206 R212 D213 K265	Q161-D210 PolarHBondContact NE2-OD1 3.07Å; Q161-D210 VanDerWaalsContact NE2-OD1 3.16Å; L169-D210 HydrophobicContact CD2-CB 4.14Å; R206-D210 IonicContact CZ-OD2 3.85Å; R206-D210 IonicContact NH1-OD2 3.11Å; R206-D210 PolarHBondContact NH1-OD2 3.13Å; R206-D210 IonicContact NH2-OD2 3.69Å; D210-R212 PolarHBondContact O-N 2.7Å; D210-R212 WeakPolarHBondContact OD1-CB 3.15Å; D210-R212 IonicContact OD1-CZ 3.28Å; D210-R212 PolarHBondContact OD1-N 3.38Å; D210-R212 VanDerWaalsContact OD1-N 3.13Å; D210-R212 IonicContact OD1-NE 3.38Å; D210-R212 PolarHBondContact OD1-NE 3.49Å; D210-R212 IonicContact OD1-NH2 2.74Å; D210-R212 PolarHBondContact OD1-NH2 3.01Å; D210-R212 IonicContact OD2-CZ 3Å; D210-R212 IonicContact OD2-NE 3.69Å; D210-R212 IonicContact OD2-NH2 3.66Å; D210-R212 PolarHBondContact OD2-NH2 2.9Å; D210-D213 HydrophobicContact CB-CB 4.39Å; D210-D213 PolarHBondContact O-N 2.77Å; D210-K265 WeakPolarHBondContact O-CE 3.4Å; D210-K265 PolarHBondContact O-NZ 3.17Å
211	S	98.4	Very high	98.3	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.035	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.8	-176.4	57.7	0	0	0	0	113	Q161 E165 I209 P268	Q161-S211 PolarHBondContact NE2-OG 3.06Å; E165-S211 VanDerWaalsContact CD-CB 3.48Å; E165-S211 WeakPolarHBondContact OE1-CB 3.28Å; E165-S211 PolarHBondContact OE2-OG 3.36Å; I209-S211 PolarHBondContact O-N 2.94Å; I209-S211 VanDerWaalsContact O-N 3.15Å; S211-P268 WeakPolarHBondContact O-CG 3.27Å
212	R	97.7	Very high	98.2	Very high	64 Å²	64	36.3 Å²	36.3	24%	0.242	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-13.9	-179.6	-56.4	167.3	-62.1	177.5	1.7	113.4	L146 R148 F159 Q161 D210	L146-R212 HydrophobicContact CD1-CB 3.79Å; L146-R212 WeakPolarHBondContact CD1-O 3.37Å; L146-R212 HydrophobicContact CD2-CB 4.39Å; R148-R212 WeakPolarHBondContact CG-O 3.45Å; R148-R212 PolarHBondContact NH1-O 3.15Å; F159-R212 HydrophobicContact CB-CG 4.27Å; Q161-R212 HydrophobicContact CB-CG 4.35Å; D210-R212 PolarHBondContact O-N 2.7Å; D210-R212 WeakPolarHBondContact OD1-CB 3.15Å; D210-R212 IonicContact OD1-CZ 3.28Å; D210-R212 PolarHBondContact OD1-N 3.38Å; D210-R212 VanDerWaalsContact OD1-N 3.13Å; D210-R212 IonicContact OD1-NE 3.38Å; D210-R212 PolarHBondContact OD1-NE 3.49Å; D210-R212 IonicContact OD1-NH2 2.74Å; D210-R212 PolarHBondContact OD1-NH2 3.01Å; D210-R212 IonicContact OD2-CZ 3Å; D210-R212 IonicContact OD2-NE 3.69Å; D210-R212 IonicContact OD2-NH2 3.66Å; D210-R212 PolarHBondContact OD2-NH2 2.9Å
213	D	98.3	Very high	98.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.011	16%	0.158	C	C	.	.			trans	-92.4	126.8	-178.5	-167.2	-86.3	0	0	0	111.7	L146 K147 D210 Y215 R219 K265	L146-D213 HydrophobicContact CD1-CB 3.98Å; K147-D213 PolarHBondContact N-OD2 3.16Å; K147-D213 WeakPolarHBondContact O-CA 3.06Å; D210-D213 HydrophobicContact CB-CB 4.39Å; D210-D213 PolarHBondContact O-N 2.77Å; D213-Y215 PolarHBondContact OD1-N 3.13Å; D213-R219 IonicContact OD1-CZ 3.61Å; D213-R219 IonicContact OD1-NE 3.69Å; D213-R219 PolarHBondContact OD1-NE 3.02Å; D213-R219 IonicContact OD1-NH2 3.26Å; D213-R219 IonicContact OD2-CZ 3.19Å; D213-R219 IonicContact OD2-NE 3.12Å; D213-R219 PolarHBondContact OD2-NE 3.01Å; D213-R219 IonicContact OD2-NH2 3.3Å; D213-R219 PolarHBondContact OD2-NH2 3.46Å; D213-K265 PolarHBondContact O-NZ 3.22Å
214	H	97.6	Very high	98	Very high	62 Å²	62	41.8 Å²	41.8	29%	0.287	18%	0.183	S	C	.	.			trans	-102.5	7.8	-175	-59.4	179.7	0	0	0	113.3	K147 R148 K149 D150	K147-H214 PolarHBondContact O-N 3.21Å; R148-H214 VanDerWaalsContact CZ-CE1 3.46Å; R148-H214 PolarHBondContact NH1-NE2 3.08Å; R148-H214 PolarHBondContact NH2-CE1 3.07Å; K149-H214 HydrophobicContact CB-CB 4.35Å; K149-H214 HydrophobicContact CD-CB 4.33Å; K149-H214 WeakPolarHBondContact CE-O 3.33Å; K149-H214 HydrophobicContact CG-CB 4.03Å; K149-H214 PolarHBondContact N-ND1 2.94Å; D150-H214 IonicContact OD1-CE1 3.41Å; D150-H214 PolarHBondContact OD1-CE1 3.26Å; D150-H214 IonicContact OD1-ND1 2.71Å; D150-H214 PolarHBondContact OD1-ND1 2.83Å
215	Y	97.9	Very high	97.9	Very high	64 Å²	64	44 Å²	44	25%	0.251	20%	0.195	S	C	.	.			trans	-106.5	26.2	-173.9	-83.9	-106.9	0	0	0	112.7	K147 K149 D213 K217 E218 R219	K147-Y215 HydrophobicContact CB-CD1 4.47Å; K147-Y215 HydrophobicContact CB-CD2 3.25Å; K147-Y215 HydrophobicContact CB-CE2 3.72Å; K147-Y215 HydrophobicContact CB-CG 3.67Å; K147-Y215 HydrophobicContact CD-CD1 4.23Å; K147-Y215 HydrophobicContact CD-CD2 4.46Å; K147-Y215 HydrophobicContact CD-CG 4.08Å; K147-Y215 VanDerWaalsContact CE-CD1 3.48Å; K147-Y215 HydrophobicContact CG-CD2 4.44Å; K149-Y215 HydrophobicContact CG-CD2 4.3Å; K149-Y215 HydrophobicContact CG-CE2 3.72Å; D213-Y215 PolarHBondContact OD1-N 3.13Å; Y215-K217 VanDerWaalsContact C-N 3.3Å; Y215-K217 PolarHBondContact O-N 2.99Å; Y215-E218 VanDerWaalsContact C-OE2 3.32Å; Y215-E218 VanDerWaalsContact CA-OE2 3.27Å; Y215-E218 WeakPolarHBondContact CA-OE2 3.42Å; Y215-E218 HydrophobicContact CD1-CB 3.97Å; Y215-E218 HydrophobicContact CD1-CG 3.9Å; Y215-E218 HydrophobicContact CE1-CG 4.43Å; Y215-E218 PolarHBondContact O-N 2.87Å; Y215-R219 WeakPolarHBondContact O-CB 3.46Å; Y215-R219 WeakPolarHBondContact O-CG 3.45Å; Y215-R219 PolarHBondContact O-N 3.29Å
216	T	97.8	Very high	97.8	Very high	20 Å²	20	46.5 Å²	46.5	12%	0.123	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-41.4	-175.4	-56	0	0	0	0	112.2	L208 L220 K265	L208-T216 HydrophobicContact CD2-CG2 3.86Å; L208-T216 WeakPolarHBondContact CD2-O 3.47Å; L208-T216 PolarHBondContact O-OG1 3.48Å; T216-L220 HydrophobicContact CG2-CD1 4.3Å; T216-L220 VanDerWaalsContact O-CG 3.31Å; T216-L220 WeakPolarHBondContact O-CG 3.49Å; T216-L220 PolarHBondContact O-N 2.98Å; T216-L220 VanDerWaalsContact O-N 3.08Å; T216-K265 HydrophobicContact CG2-CB 4.13Å; T216-K265 HydrophobicContact CG2-CD 4.04Å; T216-K265 VanDerWaalsContact OG1-CD 3.25Å; T216-K265 WeakPolarHBondContact OG1-CD 3.49Å; T216-K265 PolarHBondContact OG1-NZ 2.9Å; T216-K265 VanDerWaalsContact OG1-NZ 3.12Å
217	K	97.1	Very high	97.8	Very high	141 Å²	141	47.9 Å²	47.9	61%	0.613	22%	0.223	S	C	*	.	H	α-helix	trans	-63	-52.3	177.9	178.5	177.8	169.2	-179.9	0	111	Y215 R219 L220 E221	Y215-K217 VanDerWaalsContact C-N 3.3Å; Y215-K217 PolarHBondContact O-N 2.99Å; K217-R219 VanDerWaalsContact C-N 3.3Å; K217-R219 PolarHBondContact O-N 3.31Å; K217-L220 WeakPolarHBondContact O-CB 3.47Å; K217-L220 PolarHBondContact O-N 2.82Å; K217-L220 VanDerWaalsContact O-N 3.08Å; K217-E221 WeakPolarHBondContact CE-OE1 3.5Å; K217-E221 HydrophobicContact CG-CG 4.48Å; K217-E221 WeakPolarHBondContact CG-OE1 3.47Å; K217-E221 IonicContact NZ-OE1 3.91Å; K217-E221 WeakPolarHBondContact O-CG 3.27Å; K217-E221 PolarHBondContact O-N 3.23Å
218	E	98.2	Very high	97.8	Very high	51 Å²	51	47.6 Å²	47.6	24%	0.238	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-36.4	-178.3	-62.6	85.7	162.1	0	0	112	K149 Y215 R222	K149-E218 WeakPolarHBondContact CE-OE1 3.3Å; K149-E218 IonicContact NZ-OE1 2.69Å; K149-E218 PolarHBondContact NZ-OE1 2.86Å; K149-E218 IonicContact NZ-OE2 3.6Å; Y215-E218 VanDerWaalsContact C-OE2 3.32Å; Y215-E218 VanDerWaalsContact CA-OE2 3.27Å; Y215-E218 WeakPolarHBondContact CA-OE2 3.42Å; Y215-E218 HydrophobicContact CD1-CB 3.97Å; Y215-E218 HydrophobicContact CD1-CG 3.9Å; Y215-E218 HydrophobicContact CE1-CG 4.43Å; Y215-E218 PolarHBondContact O-N 2.87Å; E218-R222 PolarHBondContact O-N 2.96Å
219	R	98.5	Very high	97.7	Very high	6 Å²	6	47.6 Å²	47.6	2%	0.023	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-36.3	174.6	-72.2	174.3	-171.5	-73.3	4.4	112.4	I142 E143 W145 L208 D213 Y215 K217	I142-R219 PolarHBondContact O-NH1 2.93Å; E143-R219 PolarHBondContact O-NH1 3.15Å; W145-R219 PolarHBondContact O-NH2 3.01Å; L208-R219 HydrophobicContact CD2-CB 3.56Å; L208-R219 HydrophobicContact CG-CB 4.5Å; D213-R219 IonicContact OD1-CZ 3.61Å; D213-R219 IonicContact OD1-NE 3.69Å; D213-R219 PolarHBondContact OD1-NE 3.02Å; D213-R219 IonicContact OD1-NH2 3.26Å; D213-R219 IonicContact OD2-CZ 3.19Å; D213-R219 IonicContact OD2-NE 3.12Å; D213-R219 PolarHBondContact OD2-NE 3.01Å; D213-R219 IonicContact OD2-NH2 3.3Å; D213-R219 PolarHBondContact OD2-NH2 3.46Å; Y215-R219 WeakPolarHBondContact O-CB 3.46Å; Y215-R219 WeakPolarHBondContact O-CG 3.45Å; Y215-R219 PolarHBondContact O-N 3.29Å; K217-R219 VanDerWaalsContact C-N 3.3Å; K217-R219 PolarHBondContact O-N 3.31Å
220	L	98.3	Very high	97.7	Very high	26 Å²	26	50.7 Å²	50.7	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-70.7	-44.6	174.9	-72.6	169.6	0	0	0	111.4	L208 T216 K217 R222 I223 Q224 L258 L259	L208-L220 HydrophobicContact CD1-CD2 3.75Å; L208-L220 HydrophobicContact CD1-CG 4.45Å; L208-L220 HydrophobicContact CD2-CD2 3.97Å; L208-L220 HydrophobicContact CD2-CG 3.74Å; T216-L220 HydrophobicContact CG2-CD1 4.3Å; T216-L220 VanDerWaalsContact O-CG 3.31Å; T216-L220 WeakPolarHBondContact O-CG 3.49Å; T216-L220 PolarHBondContact O-N 2.98Å; T216-L220 VanDerWaalsContact O-N 3.08Å; K217-L220 WeakPolarHBondContact O-CB 3.47Å; K217-L220 PolarHBondContact O-N 2.82Å; K217-L220 VanDerWaalsContact O-N 3.08Å; L220-R222 PolarHBondContact O-N 2.81Å; L220-I223 WeakPolarHBondContact O-CG1 3.46Å; L220-I223 PolarHBondContact O-N 2.86Å; L220-Q224 PolarHBondContact O-N 2.73Å; L220-L258 HydrophobicContact CD1-CB 4.08Å; L220-L258 HydrophobicContact CD2-CB 3.85Å; L220-L258 HydrophobicContact CD2-CD1 4.49Å; L220-L259 HydrophobicContact CB-CD2 4.03Å; L220-L259 HydrophobicContact CD2-CD2 3.86Å; L220-L259 HydrophobicContact CD2-CG 3.98Å
221	E	97.6	Very high	97.7	Very high	97 Å²	97	54.4 Å²	54.4	45%	0.453	25%	0.251	S	S	.	.	H	α-helix	trans	-56.1	-39	178.4	-73.9	170.1	170.2	0	0	111.7	K217 I223 Q224	K217-E221 WeakPolarHBondContact CE-OE1 3.5Å; K217-E221 HydrophobicContact CG-CG 4.48Å; K217-E221 WeakPolarHBondContact CG-OE1 3.47Å; K217-E221 IonicContact NZ-OE1 3.91Å; K217-E221 WeakPolarHBondContact O-CG 3.27Å; K217-E221 PolarHBondContact O-N 3.23Å; E221-I223 PolarHBondContact O-N 3.23Å; E221-Q224 PolarHBondContact O-N 3.13Å
222	R	96.9	Very high	97.7	Very high	95 Å²	95	54.9 Å²	54.9	36%	0.358	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.3	178	-175.2	174.1	-62.6	135.7	2.1	114.6	S141 E143 E218 L220	S141-R222 WeakPolarHBondContact O-CD 3.34Å; E143-R222 IonicContact OE1-NH2 3.49Å; E143-R222 IonicContact OE2-CZ 3.74Å; E143-R222 VanDerWaalsContact OE2-CZ 3.26Å; E143-R222 IonicContact OE2-NH1 3.66Å; E143-R222 PolarHBondContact OE2-NH1 2.92Å; E143-R222 IonicContact OE2-NH2 2.78Å; E143-R222 PolarHBondContact OE2-NH2 3.47Å; E218-R222 PolarHBondContact O-N 2.96Å; L220-R222 PolarHBondContact O-N 2.81Å
223	I	97.7	Very high	97.7	Very high	2 Å²	2	57 Å²	57	1%	0.01	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	9.9	-177.7	62.7	167.4	0	0	0	112.5	L196 L201 T204 L220 E221 D225 A229 I255 L259	L196-I223 HydrophobicContact CD1-CG2 3.61Å; L201-I223 HydrophobicContact CD2-CD1 4.49Å; T204-I223 HydrophobicContact CG2-CD1 4.13Å; L220-I223 WeakPolarHBondContact O-CG1 3.46Å; L220-I223 PolarHBondContact O-N 2.86Å; E221-I223 PolarHBondContact O-N 3.23Å; I223-D225 PolarHBondContact O-N 3.28Å; I223-D225 VanDerWaalsContact O-N 3.14Å; I223-A229 HydrophobicContact CB-CB 4.47Å; I223-A229 HydrophobicContact CD1-CB 4.21Å; I223-I255 HydrophobicContact CD1-CG2 3.52Å; I223-L259 HydrophobicContact CD1-CD1 4.18Å; I223-L259 HydrophobicContact CG1-CD1 4.37Å; I223-L259 HydrophobicContact CG1-CD2 4.22Å
224	Q	95.5	Very high	97.7	Very high	126 Å²	126	61.4 Å²	61.4	59%	0.589	29%	0.293	S	S	*	.			trans	-87.7	54.1	-179.5	-163.3	177.8	3.1	0	0	111.2	L220 E221 L259	L220-Q224 PolarHBondContact O-N 2.73Å; E221-Q224 PolarHBondContact O-N 3.13Å; Q224-L259 HydrophobicContact CB-CD2 4.16Å; Q224-L259 HydrophobicContact CG-CD2 4.32Å
225	D	97.1	Very high	97.7	Very high	53 Å²	53	61.8 Å²	61.8	28%	0.283	30%	0.297	S	S	.	.	S	Bend	trans	-129.6	166.6	175.5	70.9	84.8	0	0	0	110.2	I223 F227 S228 F230	I223-D225 PolarHBondContact O-N 3.28Å; I223-D225 VanDerWaalsContact O-N 3.14Å; D225-F227 PolarHBondContact O-N 3.04Å; D225-F227 WeakPolarHBondContact OD1-CA 3.45Å; D225-F227 WeakPolarHBondContact OD1-CB 3.45Å; D225-F227 PolarHBondContact OD1-N 3.23Å; D225-S228 PolarHBondContact OD1-N 3.48Å; D225-S228 WeakPolarHBondContact OD2-CB 3.3Å; D225-S228 PolarHBondContact OD2-OG 3.15Å; D225-F230 VanDerWaalsContact O-CD2 3.27Å; D225-F230 WeakPolarHBondContact O-CD2 3.38Å
226	P	97.3	Very high	97.8	Very high	87 Å²	87	63.1 Å²	63.1	57%	0.565	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15	-175.6	-25.9	35.8	0	0	0	115.8	R231	P226-R231 PolarHBondContact O-NE 3.41Å; P226-R231 VanDerWaalsContact O-NE 3.07Å; P226-R231 PolarHBondContact O-NH2 3.1Å
227	F	98.3	Very high	97.8	Very high	63 Å²	63	65.1 Å²	65.1	28%	0.276	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-59.7	-172.2	-68.4	-93.8	0	0	0	114.2	K194 D225 A229 F230 R231	K194-F227 HydrophobicContact CB-CB 3.58Å; K194-F227 HydrophobicContact CB-CD1 3.74Å; K194-F227 HydrophobicContact CB-CG 3.7Å; K194-F227 HydrophobicContact CD-CD1 3.77Å; K194-F227 HydrophobicContact CD-CD2 4.1Å; K194-F227 HydrophobicContact CD-CE1 3.83Å; K194-F227 HydrophobicContact CD-CE2 4.17Å; K194-F227 HydrophobicContact CD-CG 3.91Å; K194-F227 HydrophobicContact CD-CZ 4.04Å; K194-F227 HydrophobicContact CG-CD1 4.4Å; K194-F227 HydrophobicContact CG-CG 4.42Å; D225-F227 PolarHBondContact O-N 3.04Å; D225-F227 WeakPolarHBondContact OD1-CA 3.45Å; D225-F227 WeakPolarHBondContact OD1-CB 3.45Å; D225-F227 PolarHBondContact OD1-N 3.23Å; F227-A229 VanDerWaalsContact C-N 3.32Å; F227-A229 PolarHBondContact O-N 3.06Å; F227-F230 PolarHBondContact O-N 2.95Å; F227-R231 HydrophobicContact CB-CG 4.42Å; F227-R231 HydrophobicContact CD1-CG 3.86Å; F227-R231 HydrophobicContact CG-CG 4.46Å; F227-R231 PolarHBondContact O-N 2.85Å
228	S	97.8	Very high	97.9	Very high	16 Å²	16	58.9 Å²	58.9	11%	0.112	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-49.6	-161	-69	0	0	0	0	114.1	Y195 L196 D225	Y195-S228 VanDerWaalsContact CD2-O 3.3Å; Y195-S228 WeakPolarHBondContact CD2-O 3.39Å; L196-S228 PolarHBondContact N-O 3.37Å; D225-S228 PolarHBondContact OD1-N 3.48Å; D225-S228 WeakPolarHBondContact OD2-CB 3.3Å; D225-S228 PolarHBondContact OD2-OG 3.15Å
229	A	97.6	Very high	97.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-28.6	175.4	0	0	0	0	0	113.7	L201 I223 F227 C232 I255 L259	L201-A229 HydrophobicContact CD2-CB 4.03Å; I223-A229 HydrophobicContact CB-CB 4.47Å; I223-A229 HydrophobicContact CD1-CB 4.21Å; F227-A229 VanDerWaalsContact C-N 3.32Å; F227-A229 PolarHBondContact O-N 3.06Å; A229-C232 PolarHBondContact O-N 3.29Å; A229-I255 HydrophobicContact CB-CG2 4.37Å; A229-L259 HydrophobicContact CB-CD1 4.02Å
230	F	97.6	Very high	97.9	Very high	84 Å²	84	65.7 Å²	65.7	37%	0.368	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.7	-165.8	-70.5	-80.3	0	0	0	115.4	D225 F227 C232 L259	D225-F230 VanDerWaalsContact O-CD2 3.27Å; D225-F230 WeakPolarHBondContact O-CD2 3.38Å; F227-F230 PolarHBondContact O-N 2.95Å; F230-C232 PolarHBondContact O-N 3.23Å; F230-L259 HydrophobicContact CE2-CD1 3.82Å; F230-L259 HydrophobicContact CZ-CB 4.16Å; F230-L259 HydrophobicContact CZ-CD1 3.83Å
231	R	98	Very high	97.9	Very high	79 Å²	79	64.8 Å²	64.8	30%	0.298	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-2.3	166.8	-66.3	-55.1	89.8	-166.3	5	114.1	S187 Y195 P226 F227 H233	S187-R231 WeakPolarHBondContact CB-O 3.08Å; S187-R231 PolarHBondContact OG-O 3.41Å; Y195-R231 HydrophobicContact CD1-CB 4.31Å; Y195-R231 HydrophobicContact CD2-CB 3.74Å; Y195-R231 HydrophobicContact CE2-CB 4.34Å; Y195-R231 HydrophobicContact CG-CB 3.74Å; Y195-R231 HydrophobicContact CG-CG 4.49Å; P226-R231 PolarHBondContact O-NE 3.41Å; P226-R231 VanDerWaalsContact O-NE 3.07Å; P226-R231 PolarHBondContact O-NH2 3.1Å; F227-R231 HydrophobicContact CB-CG 4.42Å; F227-R231 HydrophobicContact CD1-CG 3.86Å; F227-R231 HydrophobicContact CG-CG 4.46Å; F227-R231 PolarHBondContact O-N 2.85Å; R231-H233 PolarHBondContact O-CD2 3.37Å; R231-H233 PolarHBondContact O-N 3.45Å; R231-H233 VanDerWaalsContact O-N 3.15Å; R231-H233 PolarHBondContact O-NE2 3.26Å
232	C	98.6	Very high	97.9	Very high	15 Å²	15	61 Å²	61	10%	0.101	31%	0.305	C	S	.	.			trans	-71.4	108.4	170.2	-179.4	0	0	0	0	110.3	Y195 A229 F230 I252 K256	Y195-C232 HydrophobicContact CE2-CB 4.34Å; A229-C232 PolarHBondContact O-N 3.29Å; F230-C232 PolarHBondContact O-N 3.23Å; C232-I252 HydrophobicContact CB-CD1 4.42Å; C232-I252 HydrophobicContact CB-CG2 3.67Å; C232-K256 PolarHBondContact O-NZ 3.39Å
233	H	98.2	Very high	98	Very high	109 Å²	109	57.5 Å²	57.5	51%	0.505	30%	0.295	S	S	.	.			trans	-100.5	28.9	177.2	-58.2	-60.4	0	0	0	112.8	R231 I235	R231-H233 PolarHBondContact O-CD2 3.37Å; R231-H233 PolarHBondContact O-N 3.45Å; R231-H233 VanDerWaalsContact O-N 3.15Å; R231-H233 PolarHBondContact O-NE2 3.26Å; H233-I235 VanDerWaalsContact C-N 3.27Å; H233-I235 HydrophobicContact CB-CG1 4.44Å; H233-I235 PolarHBondContact O-N 3.43Å
234	T	98.2	Very high	98.1	Very high	93 Å²	93	60.7 Å²	60.7	57%	0.571	31%	0.308	S	S	*	.			trans	52.7	43.2	175.3	-41.5	0	0	0	0	113.1	L236	T234-L236 VanDerWaalsContact C-N 3.29Å; T234-L236 HydrophobicContact CG2-CD2 3.89Å; T234-L236 HydrophobicContact CG2-CG 4.23Å
235	I	98.5	Very high	98.2	Very high	71 Å²	71	63.9 Å²	63.9	36%	0.364	32%	0.321	S	S	.	.			trans	-73.8	-22.7	178.7	-61.7	167.8	0	0	0	111.8	P186 H233 N237	P186-I235 HydrophobicContact CB-CD1 4.05Å; P186-I235 HydrophobicContact CG-CD1 4.02Å; P186-I235 HydrophobicContact CG-CG2 4.29Å; H233-I235 VanDerWaalsContact C-N 3.27Å; H233-I235 HydrophobicContact CB-CG1 4.44Å; H233-I235 PolarHBondContact O-N 3.43Å; I235-N237 HydrophobicContact CG2-CB 4.39Å; I235-N237 PolarHBondContact O-N 3.27Å
236	L	98.3	Very high	98.3	Very high	92 Å²	92	62 Å²	62	48%	0.482	31%	0.311	S	S	.	.			trans	65	-1.6	174.8	-54	177.5	0	0	0	117.3	T234 C238 T239 K240 A249	T234-L236 VanDerWaalsContact C-N 3.29Å; T234-L236 HydrophobicContact CG2-CD2 3.89Å; T234-L236 HydrophobicContact CG2-CG 4.23Å; L236-C238 PolarHBondContact O-N 3.42Å; L236-C238 VanDerWaalsContact O-N 3.12Å; L236-T239 PolarHBondContact O-N 3.06Å; L236-K240 PolarHBondContact O-N 3.1Å; L236-A249 HydrophobicContact CD2-CB 3.4Å
237	N	98.6	Very high	98.3	Very high	61 Å²	61	61 Å²	61	33%	0.326	30%	0.301	S	S	.	.	H	α-helix	trans	-52.3	-35.2	171.4	-82	5.2	0	0	0	113	S184 I235 T239 K240 A241	S184-N237 WeakPolarHBondContact O-CB 3.29Å; S184-N237 PolarHBondContact O-ND2 3.04Å; S184-N237 PolarHBondContact OG-O 3.49Å; I235-N237 HydrophobicContact CG2-CB 4.39Å; I235-N237 PolarHBondContact O-N 3.27Å; N237-T239 PolarHBondContact O-N 3.48Å; N237-K240 PolarHBondContact O-N 2.72Å; N237-A241 WeakPolarHBondContact O-CB 3.25Å; N237-A241 PolarHBondContact O-N 2.78Å
238	C	98.7	Very high	98.4	Very high	10 Å²	10	58.2 Å²	58.2	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-43.4	-179.1	52.3	0	0	0	0	113.6	C181 P198 L236 C242 P248	C181-C238 HydrophobicContact CB-CB 3.84Å; C181-C238 WeakPolarHBondContact CB-O 3.2Å; P198-C238 HydrophobicContact CB-CB 3.49Å; P198-C238 VanDerWaalsContact CB-CB 3.49Å; P198-C238 HydrophobicContact CG-CB 3.6Å; L236-C238 PolarHBondContact O-N 3.42Å; L236-C238 VanDerWaalsContact O-N 3.12Å; C238-C242 PolarHBondContact O-N 3.12Å; C238-P248 HydrophobicContact CB-CB 4.28Å; C238-P248 HydrophobicContact CB-CG 4.42Å
239	T	98.6	Very high	98.4	Very high	43 Å²	43	58 Å²	58	26%	0.264	29%	0.288	S	S	.	.	H	α-helix	trans	-71.1	-42.8	176.9	-57.8	0	0	0	0	110.1	L236 N237 A241 C242 D247 A249	L236-T239 PolarHBondContact O-N 3.06Å; N237-T239 PolarHBondContact O-N 3.48Å; T239-A241 VanDerWaalsContact C-N 3.3Å; T239-A241 PolarHBondContact O-N 3.41Å; T239-C242 PolarHBondContact O-N 3.17Å; T239-D247 HydrophobicContact CG2-CB 4.15Å; T239-D247 WeakPolarHBondContact CG2-OD1 3.44Å; T239-D247 PolarHBondContact OG1-OD1 2.72Å; T239-A249 WeakPolarHBondContact OG1-CB 3.45Å; T239-A249 PolarHBondContact OG1-N 3.05Å
240	K	98.4	Very high	98.5	Very high	157 Å²	157	64.3 Å²	64.3	68%	0.683	32%	0.315	S	S	*	.	H	α-helix	trans	-61.5	-34.7	175.7	-177.4	176.5	178.3	-179.4	0	113.4	Q97 L236 N237	Q97-K240 PolarHBondContact NE2-O 2.73Å; L236-K240 PolarHBondContact O-N 3.1Å; N237-K240 PolarHBondContact O-N 2.72Å
241	A	98.5	Very high	98.5	Very high	8 Å²	8	60.4 Å²	60.4	7%	0.066	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	0.9	-176.6	0	0	0	0	0	113.8	N98 N237 T239 P243	N98-A241 HydrophobicContact CB-CB 4.35Å; N237-A241 WeakPolarHBondContact O-CB 3.25Å; N237-A241 PolarHBondContact O-N 2.78Å; T239-A241 VanDerWaalsContact C-N 3.3Å; T239-A241 PolarHBondContact O-N 3.41Å; A241-P243 WeakPolarHBondContact O-CD 3.39Å
242	C	98.8	Very high	98.5	Very high	18 Å²	18	56.7 Å²	56.7	12%	0.122	29%	0.285	C	S	.	.			trans	-76.1	112.9	-178.4	-172.2	0	0	0	0	110.9	C238 T239 K244 F245 L246	C238-C242 PolarHBondContact O-N 3.12Å; T239-C242 PolarHBondContact O-N 3.17Å; C242-K244 PolarHBondContact O-N 3.31Å; C242-K244 VanDerWaalsContact O-N 3.13Å; C242-F245 PolarHBondContact O-N 2.9Å; C242-F245 VanDerWaalsContact O-N 3.13Å; C242-L246 PolarHBondContact SG-N 2.75Å; C242-L246 VanDerWaalsContact SG-N 3.36Å
243	P	98.5	Very high	98.5	Very high	21 Å²	21	58 Å²	58	14%	0.136	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.7	179.9	31.7	-37.2	0	0	0	113.1	L100 A241	L100-P243 HydrophobicContact CD1-CB 3.96Å; L100-P243 HydrophobicContact CD1-CG 3.93Å; L100-P243 HydrophobicContact CD2-CG 4.13Å; L100-P243 HydrophobicContact CG-CB 3.72Å; L100-P243 HydrophobicContact CG-CG 3.69Å; A241-P243 WeakPolarHBondContact O-CD 3.39Å
244	K	98.6	Very high	98.5	Very high	68 Å²	68	54.1 Å²	54.1	30%	0.296	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	6.7	177.3	-60.2	-57.1	-63.1	-175	0	112.7	G85 I176 C242 L246	G85-K244 PolarHBondContact O-NZ 2.86Å; I176-K244 HydrophobicContact CD1-CD 4.14Å; I176-K244 HydrophobicContact CD1-CG 4.04Å; I176-K244 HydrophobicContact CG1-CG 4.12Å; I176-K244 HydrophobicContact CG2-CD 4.23Å; I176-K244 HydrophobicContact CG2-CG 4.16Å; C242-K244 PolarHBondContact O-N 3.31Å; C242-K244 VanDerWaalsContact O-N 3.13Å; K244-L246 HydrophobicContact CB-CD1 4.23Å; K244-L246 HydrophobicContact CB-CD2 4.35Å; K244-L246 HydrophobicContact CB-CG 3.9Å; K244-L246 PolarHBondContact O-N 3.46Å
245	F	98.1	Very high	98.6	Very high	194 Å²	194	49.7 Å²	49.7	85%	0.851	25%	0.253	S	S	*	.			trans	57.7	31.9	179.5	-48.4	-79.5	0	0	0	113.7	C242	C242-F245 PolarHBondContact O-N 2.9Å; C242-F245 VanDerWaalsContact O-N 3.13Å
246	L	98.7	Very high	98.5	Very high	14 Å²	14	49 Å²	49	7%	0.073	25%	0.247	C	C	.	.			trans	-85.4	164.2	174	-46.5	178.9	0	0	0	110.5	E174 C175 L202 C242 K244 P248	E174-L246 HydrophobicContact CB-CD2 4.06Å; C175-L246 HydrophobicContact CB-CD1 3.93Å; L202-L246 HydrophobicContact CD1-CB 4.18Å; L202-L246 HydrophobicContact CD1-CD1 4.47Å; C242-L246 PolarHBondContact SG-N 2.75Å; C242-L246 VanDerWaalsContact SG-N 3.36Å; K244-L246 HydrophobicContact CB-CD1 4.23Å; K244-L246 HydrophobicContact CB-CD2 4.35Å; K244-L246 HydrophobicContact CB-CG 3.9Å; K244-L246 PolarHBondContact O-N 3.46Å; L246-P248 VanDerWaalsContact C-CD 3.45Å; L246-P248 VanDerWaalsContact O-CD 3.23Å; L246-P248 WeakPolarHBondContact O-CD 3.47Å
247	D	98.7	Very high	98.5	Very high	66 Å²	66	47 Å²	47	35%	0.353	24%	0.235	S	C	.	.			trans	-119.5	76.7	-179.4	-166.1	-7.3	0	0	0	113.2	T239 A249 K250 A251	T239-D247 HydrophobicContact CG2-CB 4.15Å; T239-D247 WeakPolarHBondContact CG2-OD1 3.44Å; T239-D247 PolarHBondContact OG1-OD1 2.72Å; D247-A249 PolarHBondContact O-N 3.03Å; D247-A249 PolarHBondContact OD1-N 2.82Å; D247-K250 HydrophobicContact CB-CB 4.04Å; D247-K250 PolarHBondContact O-N 3.37Å; D247-K250 PolarHBondContact OD1-N 3.07Å; D247-K250 WeakPolarHBondContact OD2-CB 3.11Å; D247-A251 PolarHBondContact O-N 2.98Å
248	P	98.8	Very high	98.5	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.019	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-33.3	174.2	-21.1	29.9	0	0	0	113.4	C181 P198 L202 C238 L246 A251 I252	C181-P248 HydrophobicContact CB-CG 4.3Å; P198-P248 HydrophobicContact CB-CB 3.66Å; P198-P248 HydrophobicContact CB-CG 4.45Å; L202-P248 HydrophobicContact CB-CB 4.32Å; L202-P248 HydrophobicContact CD1-CB 4.14Å; L202-P248 HydrophobicContact CD1-CG 3.89Å; C238-P248 HydrophobicContact CB-CB 4.28Å; C238-P248 HydrophobicContact CB-CG 4.42Å; L246-P248 VanDerWaalsContact C-CD 3.45Å; L246-P248 VanDerWaalsContact O-CD 3.23Å; L246-P248 WeakPolarHBondContact O-CD 3.47Å; P248-A251 PolarHBondContact O-N 2.69Å; P248-I252 WeakPolarHBondContact O-CD1 3.39Å; P248-I252 WeakPolarHBondContact O-CG1 3.45Å; P248-I252 PolarHBondContact O-N 3.05Å
249	A	98.8	Very high	98.5	Very high	13 Å²	13	45.8 Å²	45.8	11%	0.107	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-44.9	179.4	0	0	0	0	0	111.6	L236 T239 D247 I252 A253	L236-A249 HydrophobicContact CD2-CB 3.4Å; T239-A249 WeakPolarHBondContact OG1-CB 3.45Å; T239-A249 PolarHBondContact OG1-N 3.05Å; D247-A249 PolarHBondContact O-N 3.03Å; D247-A249 PolarHBondContact OD1-N 2.82Å; A249-I252 PolarHBondContact O-N 3Å; A249-A253 PolarHBondContact O-N 3.03Å
250	K	98.6	Very high	98.4	Very high	131 Å²	131	47.7 Å²	47.7	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-62.5	-41	174.5	-178.3	177.6	-178.8	-178.9	0	112.3	D247 I252 A253 N254	D247-K250 HydrophobicContact CB-CB 4.04Å; D247-K250 PolarHBondContact O-N 3.37Å; D247-K250 PolarHBondContact OD1-N 3.07Å; D247-K250 WeakPolarHBondContact OD2-CB 3.11Å; K250-I252 PolarHBondContact O-N 2.87Å; K250-A253 PolarHBondContact O-N 3.19Å; K250-N254 PolarHBondContact O-N 3.28Å; K250-N254 PolarHBondContact O-ND2 3.34Å
251	A	98.7	Very high	98.2	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-44.4	174.8	0	0	0	0	0	112	L172 L202 Y205 D247 P248 A253 N254 I255	L172-A251 HydrophobicContact CD2-CB 4.21Å; L202-A251 HydrophobicContact CB-CB 4.28Å; L202-A251 HydrophobicContact CG-CB 4.39Å; Y205-A251 HydrophobicContact CD1-CB 3.82Å; Y205-A251 HydrophobicContact CG-CB 4.17Å; D247-A251 PolarHBondContact O-N 2.98Å; P248-A251 PolarHBondContact O-N 2.69Å; A251-A253 PolarHBondContact O-N 3.12Å; A251-N254 PolarHBondContact O-N 3.41Å; A251-I255 WeakPolarHBondContact O-CG1 3.2Å; A251-I255 PolarHBondContact O-N 3.28Å
252	I	98.7	Very high	98.1	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-40.5	176.2	-61.9	161.2	0	0	0	111.4	P198 L201 C232 P248 A249 K250 N254 I255 K256	P198-I252 HydrophobicContact CB-CD1 4.1Å; L201-I252 HydrophobicContact CB-CD1 4.44Å; L201-I252 HydrophobicContact CB-CG1 3.71Å; L201-I252 HydrophobicContact CD1-CD1 4.13Å; L201-I252 HydrophobicContact CD1-CG1 3.87Å; L201-I252 HydrophobicContact CD1-CG2 4.39Å; L201-I252 HydrophobicContact CG-CG1 4.44Å; C232-I252 HydrophobicContact CB-CD1 4.42Å; C232-I252 HydrophobicContact CB-CG2 3.67Å; P248-I252 WeakPolarHBondContact O-CD1 3.39Å; P248-I252 WeakPolarHBondContact O-CG1 3.45Å; P248-I252 PolarHBondContact O-N 3.05Å; A249-I252 PolarHBondContact O-N 3Å; K250-I252 PolarHBondContact O-N 2.87Å; I252-N254 VanDerWaalsContact C-N 3.31Å; I252-N254 PolarHBondContact O-N 3.3Å; I252-I255 WeakPolarHBondContact O-CB 3.2Å; I252-I255 PolarHBondContact O-N 2.96Å; I252-K256 WeakPolarHBondContact O-CG 3.21Å; I252-K256 PolarHBondContact O-N 3.41Å
253	A	98.5	Very high	98	Very high	43 Å²	43	53.8 Å²	53.8	36%	0.355	28%	0.279	S	S	.	.	H	α-helix	trans	-61	-41.1	175.8	0	0	0	0	0	111.6	A249 K250 A251 K256 Q257	A249-A253 PolarHBondContact O-N 3.03Å; K250-A253 PolarHBondContact O-N 3.19Å; A251-A253 PolarHBondContact O-N 3.12Å; A253-K256 PolarHBondContact O-N 2.94Å; A253-Q257 WeakPolarHBondContact O-CG 3.03Å; A253-Q257 PolarHBondContact O-N 3.38Å
254	N	98.4	Very high	97.9	Very high	28 Å²	28	61.2 Å²	61.2	15%	0.15	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-38.4	174.6	-70.2	-29.7	0	0	0	112.3	Y205 K250 A251 I252 K256 Q257 L258	Y205-N254 HydrophobicContact CD2-CB 4.08Å; Y205-N254 HydrophobicContact CE1-CB 3.99Å; Y205-N254 HydrophobicContact CE2-CB 3.38Å; Y205-N254 WeakPolarHBondContact OH-CB 3.43Å; Y205-N254 PolarHBondContact OH-ND2 3.12Å; Y205-N254 VanDerWaalsContact OH-ND2 3.16Å; K250-N254 PolarHBondContact O-N 3.28Å; K250-N254 PolarHBondContact O-ND2 3.34Å; A251-N254 PolarHBondContact O-N 3.41Å; I252-N254 VanDerWaalsContact C-N 3.31Å; I252-N254 PolarHBondContact O-N 3.3Å; N254-K256 VanDerWaalsContact C-N 3.33Å; N254-K256 PolarHBondContact O-N 3.36Å; N254-Q257 PolarHBondContact O-N 3.1Å; N254-L258 WeakPolarHBondContact O-CG 3.35Å; N254-L258 PolarHBondContact O-N 3.32Å
255	I	98.6	Very high	97.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57.9	-46.3	171.5	-73.8	167.1	0	0	0	110.7	L201 Y205 L208 I223 A229 A251 I252 Q257 L258 L259	L201-I255 HydrophobicContact CB-CD1 4.09Å; L201-I255 HydrophobicContact CD2-CD1 4.3Å; L201-I255 WeakPolarHBondContact O-CD1 3.19Å; Y205-I255 HydrophobicContact CD2-CG1 3.87Å; Y205-I255 HydrophobicContact CG-CG1 4.26Å; L208-I255 HydrophobicContact CD1-CG1 3.89Å; I223-I255 HydrophobicContact CD1-CG2 3.52Å; A229-I255 HydrophobicContact CB-CG2 4.37Å; A251-I255 WeakPolarHBondContact O-CG1 3.2Å; A251-I255 PolarHBondContact O-N 3.28Å; I252-I255 WeakPolarHBondContact O-CB 3.2Å; I252-I255 PolarHBondContact O-N 2.96Å; I255-Q257 VanDerWaalsContact C-N 3.29Å; I255-Q257 PolarHBondContact O-N 3.28Å; I255-L258 WeakPolarHBondContact O-CB 3.39Å; I255-L258 PolarHBondContact O-N 3.13Å; I255-L258 VanDerWaalsContact O-N 3.1Å; I255-L259 HydrophobicContact CG2-CD1 3.67Å; I255-L259 HydrophobicContact CG2-CG 4.16Å; I255-L259 WeakPolarHBondContact O-CG 3.27Å; I255-L259 PolarHBondContact O-N 3.48Å
256	K	98.1	Very high	97.6	Very high	55 Å²	55	53.9 Å²	53.9	24%	0.239	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-39	177.6	-71	176.5	176.7	-177.1	0	112	C232 I252 A253 N254 L258 L259 S260	C232-K256 PolarHBondContact O-NZ 3.39Å; I252-K256 WeakPolarHBondContact O-CG 3.21Å; I252-K256 PolarHBondContact O-N 3.41Å; A253-K256 PolarHBondContact O-N 2.94Å; N254-K256 VanDerWaalsContact C-N 3.33Å; N254-K256 PolarHBondContact O-N 3.36Å; K256-L258 VanDerWaalsContact C-N 3.33Å; K256-L258 PolarHBondContact O-N 3.2Å; K256-L259 PolarHBondContact O-N 3.22Å; K256-S260 WeakPolarHBondContact O-CB 3.33Å; K256-S260 PolarHBondContact O-N 3.14Å; K256-S260 PolarHBondContact O-OG 2.8Å; K256-S260 VanDerWaalsContact O-OG 3.13Å
257	Q	98.2	Very high	97.4	Very high	52 Å²	52	61.2 Å²	61.2	24%	0.243	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-38.5	174.5	-69.7	173.2	24	0	0	112.1	A253 N254 I255 S260 G261 F262 K263	A253-Q257 WeakPolarHBondContact O-CG 3.03Å; A253-Q257 PolarHBondContact O-N 3.38Å; N254-Q257 PolarHBondContact O-N 3.1Å; I255-Q257 VanDerWaalsContact C-N 3.29Å; I255-Q257 PolarHBondContact O-N 3.28Å; Q257-S260 PolarHBondContact O-OG 2.96Å; Q257-G261 PolarHBondContact O-N 3.07Å; Q257-F262 HydrophobicContact CB-CD1 4.3Å; Q257-F262 HydrophobicContact CG-CD1 4.07Å; Q257-F262 PolarHBondContact O-N 3.08Å; Q257-F262 VanDerWaalsContact O-N 3.12Å; Q257-K263 HydrophobicContact CB-CB 4.21Å; Q257-K263 HydrophobicContact CB-CD 4.41Å; Q257-K263 HydrophobicContact CB-CG 4.28Å; Q257-K263 PolarHBondContact O-N 3.27Å; Q257-K263 VanDerWaalsContact O-N 3.1Å
258	L	98.1	Very high	97.3	Very high	20 Å²	20	60.3 Å²	60.3	11%	0.105	32%	0.316	C	S	.	.	H	α-helix	trans	-67.9	-46.2	173.7	-65.6	173.1	0	0	0	112.2	Y205 L208 L220 N254 I255 K256 S260 G261 K263	Y205-L258 HydrophobicContact CD2-CD1 4.4Å; Y205-L258 HydrophobicContact CE2-CD1 4.12Å; L208-L258 HydrophobicContact CB-CD1 4.3Å; L208-L258 HydrophobicContact CD1-CD1 4.11Å; L220-L258 HydrophobicContact CD1-CB 4.08Å; L220-L258 HydrophobicContact CD2-CB 3.85Å; L220-L258 HydrophobicContact CD2-CD1 4.49Å; N254-L258 WeakPolarHBondContact O-CG 3.35Å; N254-L258 PolarHBondContact O-N 3.32Å; I255-L258 WeakPolarHBondContact O-CB 3.39Å; I255-L258 PolarHBondContact O-N 3.13Å; I255-L258 VanDerWaalsContact O-N 3.1Å; K256-L258 VanDerWaalsContact C-N 3.33Å; K256-L258 PolarHBondContact O-N 3.2Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 2.93Å; L258-G261 PolarHBondContact O-N 2.55Å; L258-G261 VanDerWaalsContact O-N 3.1Å; L258-K263 HydrophobicContact CD2-CB 4.31Å
259	L	97.6	Very high	97.1	Very high	24 Å²	24	63.9 Å²	63.9	13%	0.126	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-35.9	179.1	-73.7	169.2	0	0	0	112.7	L220 I223 Q224 A229 F230 I255 K256 G261	L220-L259 HydrophobicContact CB-CD2 4.03Å; L220-L259 HydrophobicContact CD2-CD2 3.86Å; L220-L259 HydrophobicContact CD2-CG 3.98Å; I223-L259 HydrophobicContact CD1-CD1 4.18Å; I223-L259 HydrophobicContact CG1-CD1 4.37Å; I223-L259 HydrophobicContact CG1-CD2 4.22Å; Q224-L259 HydrophobicContact CB-CD2 4.16Å; Q224-L259 HydrophobicContact CG-CD2 4.32Å; A229-L259 HydrophobicContact CB-CD1 4.02Å; F230-L259 HydrophobicContact CE2-CD1 3.82Å; F230-L259 HydrophobicContact CZ-CB 4.16Å; F230-L259 HydrophobicContact CZ-CD1 3.83Å; I255-L259 HydrophobicContact CG2-CD1 3.67Å; I255-L259 HydrophobicContact CG2-CG 4.16Å; I255-L259 WeakPolarHBondContact O-CG 3.27Å; I255-L259 PolarHBondContact O-N 3.48Å; K256-L259 PolarHBondContact O-N 3.22Å; L259-G261 VanDerWaalsContact C-N 3.27Å; L259-G261 PolarHBondContact O-N 3.33Å
260	S	96.2	Very high	96.8	Very high	84 Å²	84	68.4 Å²	68.4	59%	0.587	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.7	176.4	67.4	0	0	0	0	114.3	K256 Q257 L258 F262	K256-S260 WeakPolarHBondContact O-CB 3.33Å; K256-S260 PolarHBondContact O-N 3.14Å; K256-S260 PolarHBondContact O-OG 2.8Å; K256-S260 VanDerWaalsContact O-OG 3.13Å; Q257-S260 PolarHBondContact O-OG 2.96Å; L258-S260 VanDerWaalsContact C-N 3.31Å; L258-S260 PolarHBondContact O-N 2.93Å; S260-F262 PolarHBondContact O-N 2.92Å; S260-F262 WeakPolarHBondContact OG-CB 3.4Å; S260-F262 PolarHBondContact OG-N 3.06Å
261	G	95.8	Very high	96.5	Very high	47 Å²	47	66.9 Å²	66.9	49%	0.485	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-1	-171.6	0	0	0	0	0	115.1	Q257 L258 L259 K263	Q257-G261 PolarHBondContact O-N 3.07Å; L258-G261 PolarHBondContact O-N 2.55Å; L258-G261 VanDerWaalsContact O-N 3.1Å; L259-G261 VanDerWaalsContact C-N 3.27Å; L259-G261 PolarHBondContact O-N 3.33Å; G261-K263 VanDerWaalsContact C-N 3.26Å; G261-K263 PolarHBondContact O-N 3.08Å
262	F	96.5	Very high	96.1	Very high	161 Å²	161	70.6 Å²	70.6	71%	0.706	38%	0.381	S	S	*	.	S	Bend	trans	-60.9	-34.5	176.4	-179	-101.8	0	0	0	112.7	Q257 S260	Q257-F262 HydrophobicContact CB-CD1 4.3Å; Q257-F262 HydrophobicContact CG-CD1 4.07Å; Q257-F262 PolarHBondContact O-N 3.08Å; Q257-F262 VanDerWaalsContact O-N 3.12Å; S260-F262 PolarHBondContact O-N 2.92Å; S260-F262 WeakPolarHBondContact OG-CB 3.4Å; S260-F262 PolarHBondContact OG-N 3.06Å
263	K	96.5	Very high	95.3	Very high	102 Å²	102	79.5 Å²	79.5	44%	0.443	42%	0.423	S	S	.	.	S	Bend	trans	-123.3	156.5	168.6	-73.9	-170.5	-177.4	160.5	0	110.6	Q257 L258 G261	Q257-K263 HydrophobicContact CB-CB 4.21Å; Q257-K263 HydrophobicContact CB-CD 4.41Å; Q257-K263 HydrophobicContact CB-CG 4.28Å; Q257-K263 PolarHBondContact O-N 3.27Å; Q257-K263 VanDerWaalsContact O-N 3.1Å; L258-K263 HydrophobicContact CD2-CB 4.31Å; G261-K263 VanDerWaalsContact C-N 3.26Å; G261-K263 PolarHBondContact O-N 3.08Å
264	K	95.7	Very high	93.8	Very high	178 Å²	178	83.8 Å²	83.8	77%	0.774	45%	0.445	S	S	*	.			trans	-124.7	153.4	169.4	-63.5	-178	-178.6	178.5	0	109.3
265	K	96.1	Very high	91.6	Very high	37 Å²	37	87 Å²	87	16%	0.161	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-63	129.7	169.1	-177.3	-168.1	-174.9	160.3	0	108.2	L208 D210 D213 T216	L208-K265 WeakPolarHBondContact O-CD 3.31Å; L208-K265 VanDerWaalsContact O-CE 3.29Å; L208-K265 WeakPolarHBondContact O-CE 3.34Å; L208-K265 PolarHBondContact O-NZ 3.34Å; L208-K265 VanDerWaalsContact O-NZ 3.17Å; D210-K265 WeakPolarHBondContact O-CE 3.4Å; D210-K265 PolarHBondContact O-NZ 3.17Å; D213-K265 PolarHBondContact O-NZ 3.22Å; T216-K265 HydrophobicContact CG2-CB 4.13Å; T216-K265 HydrophobicContact CG2-CD 4.04Å; T216-K265 VanDerWaalsContact OG1-CD 3.25Å; T216-K265 WeakPolarHBondContact OG1-CD 3.49Å; T216-K265 PolarHBondContact OG1-NZ 2.9Å; T216-K265 VanDerWaalsContact OG1-NZ 3.12Å
266	P	94.3	Very high	89.3	Confident	71 Å²	71	90 Å²	90	46%	0.461	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-61.8	142.3	171.3	-21.1	32.9	0	0	0	110.7
267	E	95.1	Very high	86.6	Confident	167 Å²	167	94.3 Å²	94.3	78%	0.78	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-60.3	145.4	170.9	-68.7	-56	138.5	0	0	110.6
268	P	95.3	Very high	83.7	Confident	48 Å²	48	103.6 Å²	103.6	31%	0.312	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-61.9	142.2	178.2	-22.3	35.1	0	0	0	111.7	E165 S211 P270	E165-P268 VanDerWaalsContact OE1-CA 3.26Å; E165-P268 WeakPolarHBondContact OE1-CA 3.37Å; S211-P268 WeakPolarHBondContact O-CG 3.27Å; P268-P270 WeakPolarHBondContact O-CD 3.16Å
269	I	95.5	Very high	81	Confident	78 Å²	78	110.7 Å²	110.7	40%	0.4	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-67.7	126.4	174.1	-63.5	173.4	0	0	0	108.3	Y160 T162 E165	Y160-I269 WeakPolarHBondContact CD1-O 3.33Å; Y160-I269 HydrophobicContact CE1-CG2 4.4Å; T162-I269 HydrophobicContact CG2-CB 3.88Å; T162-I269 HydrophobicContact CG2-CD1 3.78Å; T162-I269 HydrophobicContact CG2-CG1 4.39Å; T162-I269 HydrophobicContact CG2-CG2 3.93Å; E165-I269 PolarHBondContact OE1-N 2.7Å
270	P	93.1	Very high	80.2	Confident	107 Å²	107	115 Å²	115	70%	0.695	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-59.6	143.5	-179.7	-24	33.7	0	0	0	112.3	Y160 P268 P272	Y160-P270 WeakPolarHBondContact CE1-O 2.85Å; P268-P270 WeakPolarHBondContact O-CD 3.16Å; P270-P272 WeakPolarHBondContact O-CD 3.49Å
271	E	92.2	Very high	79.3	Confident	99 Å²	99	116.6 Å²	116.6	46%	0.463	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-57.8	125.7	169.7	-174.8	170.2	-160.5	0	0	108.7	K157 Y160 Q273	K157-E271 IonicContact NZ-OE1 3.03Å; K157-E271 IonicContact NZ-OE2 3.34Å; K157-E271 PolarHBondContact NZ-OE2 3.32Å; Y160-E271 HydrophobicContact CD1-CB 4.09Å; Y160-E271 HydrophobicContact CD2-CB 4.37Å; Y160-E271 HydrophobicContact CD2-CG 4.07Å; Y160-E271 HydrophobicContact CG-CB 3.84Å; Y160-E271 HydrophobicContact CG-CG 3.98Å; E271-Q273 PolarHBondContact O-N 2.91Å; E271-Q273 VanDerWaalsContact O-N 3.15Å
272	P	89.6	Confident	78.4	Confident	80 Å²	80	120.5 Å²	120.5	52%	0.519	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-55.1	124.3	175	-25	32.8	0	0	0	108.9	Y160 P270 T274	Y160-P272 VanDerWaalsContact CE2-CD 3.49Å; Y160-P272 HydrophobicContact CE2-CG 4.3Å; Y160-P272 WeakPolarHBondContact OH-CD 3.33Å; P270-P272 WeakPolarHBondContact O-CD 3.49Å; P272-T274 PolarHBondContact O-N 2.75Å
273	Q	81.2	Confident	77.3	Confident	189 Å²	189	118.1 Å²	118.1	88%	0.883	67%	0.668	S	S	*	*			trans	-60.2	115.1	169.8	-65.9	-179.3	3.8	0	0	106.3	E271 A275	E271-Q273 PolarHBondContact O-N 2.91Å; E271-Q273 VanDerWaalsContact O-N 3.15Å; Q273-A275 PolarHBondContact O-N 3.49Å
274	T	67.2	Low	76.1	Confident	132 Å²	132	119.1 Å²	119.1	81%	0.81	68%	0.682	S	S	*	*			trans	-54.8	113.4	167.8	38.1	0	0	0	0	105.8	P272 G276	P272-T274 PolarHBondContact O-N 2.75Å; T274-G276 PolarHBondContact O-N 3.1Å
275	A	52.7	Low	74.8	Confident	97 Å²	97	115.2 Å²	115.2	80%	0.802	68%	0.676	S	S	*	*			trans	-50.9	113.2	171.3	0	0	0	0	0	105.4	Q273 T277	Q273-A275 PolarHBondContact O-N 3.49Å; A275-T277 PolarHBondContact O-N 2.71Å
276	G	49.4	Very low	73.3	Confident	61 Å²	61	120.8 Å²	120.8	63%	0.629	71%	0.713	S	S	*	*			trans	-45.6	132.5	-172.7	0	0	0	0	0	108.7	T274 R278	T274-G276 PolarHBondContact O-N 3.1Å; G276-R278 PolarHBondContact O-N 3.47Å
277	T	42.3	Very low	71.7	Confident	146 Å²	146	124.6 Å²	124.6	90%	0.896	73%	0.732	S	S	*	*			trans	-39.6	106.4	164.1	27.9	0	0	0	0	107.6	A275 A279	A275-T277 PolarHBondContact O-N 2.71Å; T277-A279 VanDerWaalsContact C-N 3.25Å; T277-A279 PolarHBondContact O-N 2.69Å
278	R	37.7	Very low	69.7	Low	247 Å²	247	121.1 Å²	121.1	93%	0.932	73%	0.728	S	S	*	*			trans	-59.7	100.4	161.3	-75.2	-177.1	178.4	-173.4	-1.1	104.7	G276	G276-R278 PolarHBondContact O-N 3.47Å
279	A	40.7	Very low	67.4	Low	169 Å²	169	127.7 Å²	127.7	100%	1.397	77%	0.766	S	S	*	*			trans	-66.9	0	146.1	0	0	0	0	0	107.8	T277	T277-A279 VanDerWaalsContact C-N 3.25Å; T277-A279 PolarHBondContact O-N 2.69Å

Retrieved 279 of 279 residues in 562.2 ms (Link to these results)

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