A0A077Z850_TRITR Loading...

UvdE domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z850, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 256 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	68	Low	81.8	Confident	243 Å²	243	110.5 Å²	110.5	100%	1.197	57%	0.57	S	S	*	*				0	133.7	0	-170.9	-178.3	-71.5	0	0	107.7
2	I	80.7	Confident	82.1	Confident	153 Å²	153	115.8 Å²	115.8	79%	0.785	59%	0.59	S	S	*	*			trans	-73.2	133.3	-178.1	-62.5	173	0	0	0	109.5	L4	I2-L4 HydrophobicContact CG2-CD2 4.41Å
3	R	82.4	Confident	82.6	Confident	136 Å²	136	109.9 Å²	109.9	51%	0.513	56%	0.563	S	S	.	*			trans	-104.5	119.2	175.7	177.7	-176.7	-86.7	162.8	-5.1	109.5	G65 C66	R3-G65 WeakPolarHBondContact CD-O 3.28Å; R3-G65 PolarHBondContact NE-O 3.24Å; R3-C66 HydrophobicContact CG-CB 4.18Å
4	L	86.7	Confident	83.3	Confident	127 Å²	127	110.2 Å²	110.2	67%	0.665	58%	0.576	S	S	*	*			trans	-83.3	144.7	174.2	-60.5	178.9	0	0	0	110.7	I2 I64 G65 C66	I2-L4 HydrophobicContact CG2-CD2 4.41Å; L4-I64 WeakPolarHBondContact O-CG2 3.25Å; L4-G65 PolarHBondContact O-N 3.25Å; L4-C66 PolarHBondContact O-N 3.01Å; L4-C66 VanDerWaalsContact O-N 3.14Å
5	G	84.3	Confident	83.9	Confident	51 Å²	51	103.5 Å²	103.5	53%	0.526	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.3	180	0	0	0	0	0	114	C66	G5-C66 CarbonylContact C-O 3.52Å; G5-C66 WeakPolarHBondContact CA-O 3.48Å
6	L	86.1	Confident	84.5	Confident	44 Å²	44	109.9 Å²	109.9	23%	0.23	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.9	141.9	174.2	-174.2	68.9	0	0	0	110.8	F10 I64 C66 F67 R68	L6-F10 HydrophobicContact CD2-CD1 3.95Å; L6-F10 HydrophobicContact CD2-CE1 3.29Å; L6-F10 HydrophobicContact CD2-CZ 3.72Å; L6-I64 HydrophobicContact CB-CD1 4.33Å; L6-I64 HydrophobicContact CB-CG2 4.09Å; L6-I64 HydrophobicContact CD2-CD1 4.46Å; L6-C66 PolarHBondContact N-O 3.23Å; L6-F67 HydrophobicContact CB-CD2 4.23Å; L6-F67 HydrophobicContact CD2-CD2 4.47Å; L6-F67 HydrophobicContact CD2-CE2 4.42Å; L6-F67 WeakPolarHBondContact O-CA 3.48Å; L6-R68 PolarHBondContact O-N 3.43Å
7	C	84.1	Confident	85.2	Confident	58 Å²	58	106.5 Å²	106.5	39%	0.392	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	110.5	-178	-65	0	0	0	0	112.2	L9	C7-L9 PolarHBondContact O-N 3.18Å
8	C	75.2	Confident	85.8	Confident	34 Å²	34	105.1 Å²	105.1	23%	0.23	52%	0.524	C	S	.	.	S	Bend	trans	54.9	-41.4	161	-49.8	0	0	0	0	120.1	R68	C8-R68 PolarHBondContact N-O 3.43Å; C8-R68 PolarHBondContact SG-O 3.32Å; C8-R68 VanDerWaalsContact SG-O 3.32Å
9	L	79.7	Confident	86.3	Confident	141 Å²	141	102.9 Å²	102.9	74%	0.738	52%	0.517	S	S	*	.			trans	-122.5	137.5	-164.6	-64.4	175.3	0	0	0	112.2	C7	C7-L9 PolarHBondContact O-N 3.18Å
10	F	87.2	Confident	86.8	Confident	29 Å²	29	98.6 Å²	98.6	13%	0.127	50%	0.496	C	S	.	.			trans	-108.4	121.9	175	-60.8	-92	0	0	0	109.1	L6 V13 I15 F17 A55 Y58 F67	L6-F10 HydrophobicContact CD2-CD1 3.95Å; L6-F10 HydrophobicContact CD2-CE1 3.29Å; L6-F10 HydrophobicContact CD2-CZ 3.72Å; F10-V13 HydrophobicContact CB-CB 4.3Å; F10-I15 HydrophobicContact CB-CB 4.25Å; F10-I15 HydrophobicContact CD1-CD1 4.06Å; F10-I15 HydrophobicContact CD2-CB 3.6Å; F10-I15 HydrophobicContact CD2-CD1 4.36Å; F10-I15 HydrophobicContact CD2-CG2 3.57Å; F10-I15 HydrophobicContact CE1-CD1 4.05Å; F10-I15 HydrophobicContact CE2-CB 4.11Å; F10-I15 HydrophobicContact CE2-CD1 4.35Å; F10-I15 HydrophobicContact CE2-CG2 3.66Å; F10-I15 HydrophobicContact CG-CB 3.88Å; F10-I15 HydrophobicContact CG-CD1 4.23Å; F10-I15 HydrophobicContact CG-CG2 4.34Å; F10-I15 HydrophobicContact CZ-CD1 4.21Å; F10-I15 HydrophobicContact CZ-CG2 4.47Å; F10-F17 HydrophobicContact CE2-CE2 4.28Å; F10-A55 HydrophobicContact CE2-CB 3.55Å; F10-A55 HydrophobicContact CZ-CB 3.45Å; F10-A55 VanDerWaalsContact CZ-CB 3.45Å; F10-Y58 HydrophobicContact CD1-CD1 4.02Å; F10-Y58 HydrophobicContact CD1-CE1 4.16Å; F10-Y58 HydrophobicContact CD1-CG 4.48Å; F10-Y58 AromaticContact CE1-CD1 3.47Å; F10-Y58 HydrophobicContact CE1-CD1 3.47Å; F10-Y58 VanDerWaalsContact CE1-CD1 3.47Å; F10-Y58 AromaticContact CE1-CE1 3.97Å; F10-Y58 HydrophobicContact CE1-CE1 3.97Å; F10-Y58 HydrophobicContact CE1-CG 4.03Å; F10-F67 AromaticContact CE2-CE2 3.74Å; F10-F67 HydrophobicContact CE2-CE2 3.74Å; F10-F67 AromaticContact CE2-CZ 3.94Å; F10-F67 HydrophobicContact CE2-CZ 3.94Å; F10-F67 HydrophobicContact CZ-CD2 4.33Å; F10-F67 AromaticContact CZ-CE2 3.57Å; F10-F67 HydrophobicContact CZ-CE2 3.57Å; F10-F67 HydrophobicContact CZ-CZ 4.16Å
11	K	84.8	Confident	87.3	Confident	199 Å²	199	97.7 Å²	97.7	87%	0.865	50%	0.496	S	S	*	.	S	Bend	trans	-86.4	-40.6	-179.6	-172.1	-176.6	176.9	-169	0	112.4
12	E	86	Confident	88.7	Confident	174 Å²	174	88 Å²	88	81%	0.813	45%	0.45	S	S	*	.	S	Bend	trans	-108.8	-2	-168	-66.7	173.7	-175.1	0	0	113.2
13	V	88.6	Confident	89.6	Confident	40 Å²	40	90.8 Å²	90.8	24%	0.242	45%	0.451	C	S	.	.	S	Bend	trans	-124.5	139.3	-175.5	-173.9	0	0	0	0	107.8	F10 I15 Y58	F10-V13 HydrophobicContact CB-CB 4.3Å; V13-I15 HydrophobicContact CG1-CD1 3.76Å; V13-I15 HydrophobicContact CG1-CG1 3.93Å; V13-I15 PolarHBondContact O-N 2.93Å; V13-Y58 HydrophobicContact CB-CE2 4.42Å; V13-Y58 HydrophobicContact CG1-CD2 4.13Å; V13-Y58 HydrophobicContact CG1-CE2 4.31Å; V13-Y58 HydrophobicContact CG2-CD2 4.08Å; V13-Y58 HydrophobicContact CG2-CE2 3.45Å; V13-Y58 VanDerWaalsContact CG2-CE2 3.45Å
14	P	92	Very high	90.3	Very high	114 Å²	114	88.1 Å²	88.1	74%	0.74	44%	0.443	S	S	*	.	S	Bend	trans	-74.5	36.1	-173.7	32.4	-38.4	0	0	0	114.1
15	I	93.4	Very high	90.9	Very high	10 Å²	10	82.1 Å²	82.1	5%	0.051	41%	0.411	C	S	.	.			trans	-92.6	114.9	174	-59.8	162.8	0	0	0	107.8	F10 V13 F17 A51 Q54 A55 Y58	F10-I15 HydrophobicContact CB-CB 4.25Å; F10-I15 HydrophobicContact CD1-CD1 4.06Å; F10-I15 HydrophobicContact CD2-CB 3.6Å; F10-I15 HydrophobicContact CD2-CD1 4.36Å; F10-I15 HydrophobicContact CD2-CG2 3.57Å; F10-I15 HydrophobicContact CE1-CD1 4.05Å; F10-I15 HydrophobicContact CE2-CB 4.11Å; F10-I15 HydrophobicContact CE2-CD1 4.35Å; F10-I15 HydrophobicContact CE2-CG2 3.66Å; F10-I15 HydrophobicContact CG-CB 3.88Å; F10-I15 HydrophobicContact CG-CD1 4.23Å; F10-I15 HydrophobicContact CG-CG2 4.34Å; F10-I15 HydrophobicContact CZ-CD1 4.21Å; F10-I15 HydrophobicContact CZ-CG2 4.47Å; V13-I15 HydrophobicContact CG1-CD1 3.76Å; V13-I15 HydrophobicContact CG1-CG1 3.93Å; V13-I15 PolarHBondContact O-N 2.93Å; I15-F17 HydrophobicContact CG2-CE2 4.41Å; I15-A51 HydrophobicContact CG2-CB 4.32Å; I15-A51 WeakPolarHBondContact CG2-O 3.41Å; I15-Q54 HydrophobicContact CD1-CB 4.1Å; I15-Q54 HydrophobicContact CG1-CB 3.9Å; I15-Q54 HydrophobicContact CG2-CB 4.41Å; I15-A55 HydrophobicContact CG2-CB 4.26Å; I15-Y58 HydrophobicContact CD1-CG 4.29Å
16	R	93.5	Very high	91.5	Very high	205 Å²	205	81.6 Å²	81.6	77%	0.774	40%	0.398	S	S	*	.			trans	-131.2	131.7	-175.7	-63.7	-176.1	179.4	-176.7	1.3	110.6	A51	R16-A51 WeakPolarHBondContact O-CB 3.46Å
17	F	95.3	Very high	92.1	Very high	53 Å²	53	82.8 Å²	82.8	23%	0.232	40%	0.403	C	S	.	.			trans	-93.8	121.6	167.4	-62.4	-85.7	0	0	0	108.6	F10 I15 N48 A51 L52 A55 F67 L73	F10-F17 HydrophobicContact CE2-CE2 4.28Å; I15-F17 HydrophobicContact CG2-CE2 4.41Å; F17-N48 VanDerWaalsContact CA-OD1 3.29Å; F17-N48 WeakPolarHBondContact CA-OD1 3.37Å; F17-N48 HydrophobicContact CD1-CB 4.25Å; F17-N48 WeakPolarHBondContact CE1-O 3.12Å; F17-A51 HydrophobicContact CD1-CB 3.99Å; F17-A51 HydrophobicContact CE1-CB 3.83Å; F17-A51 HydrophobicContact CZ-CB 4.22Å; F17-L52 HydrophobicContact CE1-CB 4.08Å; F17-L52 HydrophobicContact CZ-CB 4.43Å; F17-A55 HydrophobicContact CZ-CB 4.24Å; F17-F67 HydrophobicContact CE2-CZ 4.1Å; F17-F67 HydrophobicContact CZ-CE1 4.29Å; F17-F67 HydrophobicContact CZ-CZ 4.17Å; F17-L73 HydrophobicContact CD1-CD1 4.12Å; F17-L73 HydrophobicContact CE1-CD1 4.02Å
18	R	95.7	Very high	92.8	Very high	80 Å²	80	80.5 Å²	80.5	30%	0.302	39%	0.386	S	S	.	.			trans	-78.8	151.4	175	-75.6	179	67.1	-163.8	-7.4	110.4	I44 E47 N48	R18-I44 HydrophobicContact CB-CG2 3.78Å; R18-E47 WeakPolarHBondContact CD-OE2 3.49Å; R18-E47 IonicContact CZ-OE1 3.49Å; R18-E47 IonicContact CZ-OE2 3.55Å; R18-E47 IonicContact NE-OE2 3.19Å; R18-E47 IonicContact NH1-OE1 2.62Å; R18-E47 PolarHBondContact NH1-OE1 3.47Å; R18-E47 IonicContact NH1-OE2 2.82Å; R18-E47 PolarHBondContact NH1-OE2 3.38Å; R18-N48 PolarHBondContact N-OD1 3.11Å; R18-N48 PolarHBondContact O-ND2 3.38Å; R18-N48 PolarHBondContact O-OD1 3.33Å
19	T	95.3	Very high	93.8	Very high	65 Å²	65	81.8 Å²	81.8	40%	0.399	39%	0.389	S	S	.	.			trans	-137.3	167	171.9	-170.5	0	0	0	0	108.5
20	T	97.1	Very high	94.7	Very high	16 Å²	16	80.9 Å²	80.9	10%	0.098	39%	0.385	C	S	.	.			trans	-135	-172.9	167.8	-167.9	0	0	0	0	109.7	L25 Y40 I44 P75	T20-L25 HydrophobicContact CG2-CD1 3.8Å; T20-L25 HydrophobicContact CG2-CD2 3.75Å; T20-L25 HydrophobicContact CG2-CG 3.74Å; T20-Y40 HydrophobicContact CG2-CE1 4.33Å; T20-I44 HydrophobicContact CG2-CD1 4.09Å; T20-P75 HydrophobicContact CG2-CB 4.09Å; T20-P75 HydrophobicContact CG2-CG 4.05Å
21	T	97.5	Very high	95.2	Very high	80 Å²	80	86.7 Å²	86.7	49%	0.491	41%	0.41	S	S	.	.			trans	-126.9	154.2	-179.3	64	0	0	0	0	110.2	R23 K24 L25	T21-R23 PolarHBondContact O-N 3.49Å; T21-K24 PolarHBondContact O-N 3.2Å; T21-K24 VanDerWaalsContact O-N 3.07Å; T21-K24 PolarHBondContact OG1-N 3.4Å; T21-L25 PolarHBondContact O-N 2.85Å
22	V	97.7	Very high	95.8	Very high	39 Å²	39	83.1 Å²	83.1	24%	0.236	40%	0.396	C	S	.	.	H	α-helix	trans	-52.5	-44.9	172.9	179.5	0	0	0	0	110.7	K24 L25 T26 H79 V82	V22-K24 VanDerWaalsContact C-N 3.34Å; V22-K24 PolarHBondContact O-N 3.32Å; V22-L25 PolarHBondContact O-N 2.78Å; V22-T26 WeakPolarHBondContact O-CB 3.4Å; V22-T26 PolarHBondContact O-N 2.87Å; V22-T26 PolarHBondContact O-OG1 3.08Å; V22-H79 HydrophobicContact CG2-CB 4.49Å; V22-V82 HydrophobicContact CB-CG2 4.31Å; V22-V82 HydrophobicContact CG1-CG1 4.23Å; V22-V82 HydrophobicContact CG1-CG2 4.01Å; V22-V82 HydrophobicContact CG2-CG2 4.1Å
23	R	98.1	Very high	96.4	Very high	212 Å²	212	75.9 Å²	75.9	80%	0.8	37%	0.369	S	S	*	.	H	α-helix	trans	-53.6	-47.9	177	-179.5	-179.5	175.4	-175.7	-0.2	112.3	T21 E27	T21-R23 PolarHBondContact O-N 3.49Å; R23-E27 WeakPolarHBondContact O-CB 3.44Å; R23-E27 PolarHBondContact O-N 3.25Å
24	K	98.1	Very high	96.8	Very high	80 Å²	80	78.4 Å²	78.4	35%	0.348	38%	0.38	S	S	.	.	H	α-helix	trans	-66.9	-41.6	-179.4	-179.4	57.7	177	174.4	0	111.5	T21 V22 E27 I28 Y40	T21-K24 PolarHBondContact O-N 3.2Å; T21-K24 VanDerWaalsContact O-N 3.07Å; T21-K24 PolarHBondContact OG1-N 3.4Å; V22-K24 VanDerWaalsContact C-N 3.34Å; V22-K24 PolarHBondContact O-N 3.32Å; K24-E27 IonicContact NZ-OE2 3.29Å; K24-E27 WeakPolarHBondContact O-CB 3.38Å; K24-E27 PolarHBondContact O-N 2.88Å; K24-I28 HydrophobicContact CD-CD1 4.34Å; K24-I28 HydrophobicContact CD-CG1 4.42Å; K24-I28 HydrophobicContact CG-CD1 4.19Å; K24-I28 WeakPolarHBondContact O-CG1 3.47Å; K24-I28 PolarHBondContact O-N 3.24Å; K24-Y40 HydrophobicContact CG-CE1 4.32Å
25	L	98.3	Very high	97.1	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-66.5	-41.6	178.9	-65.8	-173.5	0	0	0	112.4	T20 T21 V22 E27 I28 Q29 R37 Y40 V41 C76 V82	T20-L25 HydrophobicContact CG2-CD1 3.8Å; T20-L25 HydrophobicContact CG2-CD2 3.75Å; T20-L25 HydrophobicContact CG2-CG 3.74Å; T21-L25 PolarHBondContact O-N 2.85Å; V22-L25 PolarHBondContact O-N 2.78Å; L25-E27 VanDerWaalsContact C-N 3.33Å; L25-I28 PolarHBondContact O-N 2.83Å; L25-Q29 WeakPolarHBondContact O-CB 3.48Å; L25-Q29 PolarHBondContact O-N 3.32Å; L25-R37 HydrophobicContact CB-CG 4.17Å; L25-R37 HydrophobicContact CD2-CG 4.1Å; L25-Y40 HydrophobicContact CD2-CD1 3.71Å; L25-Y40 HydrophobicContact CD2-CE1 3.95Å; L25-V41 HydrophobicContact CD1-CG2 3.82Å; L25-V41 HydrophobicContact CD2-CG2 3.33Å; L25-V41 HydrophobicContact CG-CG2 4.22Å; L25-C76 HydrophobicContact CD1-CB 3.9Å; L25-V82 HydrophobicContact CB-CB 4.03Å; L25-V82 HydrophobicContact CB-CG1 3.97Å; L25-V82 HydrophobicContact CB-CG2 4.27Å; L25-V82 HydrophobicContact CD1-CB 4.22Å; L25-V82 HydrophobicContact CD1-CG2 3.95Å
26	T	98.2	Very high	97.3	Very high	41 Å²	41	80.5 Å²	80.5	25%	0.252	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-41.4	172.2	-58	0	0	0	0	111.3	V22 Q29 N30 V82	V22-T26 WeakPolarHBondContact O-CB 3.4Å; V22-T26 PolarHBondContact O-N 2.87Å; V22-T26 PolarHBondContact O-OG1 3.08Å; T26-Q29 PolarHBondContact O-N 3.01Å; T26-N30 WeakPolarHBondContact O-CB 3.05Å; T26-N30 PolarHBondContact O-N 2.94Å; T26-N30 PolarHBondContact O-OD1 2.89Å; T26-V82 WeakPolarHBondContact OG1-CG1 3.4Å
27	E	98.3	Very high	97.6	Very high	69 Å²	69	71.4 Å²	71.4	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-47	176.9	-174.6	-170	176.6	0	0	112.1	R23 K24 L25 N30 K31	R23-E27 WeakPolarHBondContact O-CB 3.44Å; R23-E27 PolarHBondContact O-N 3.25Å; K24-E27 IonicContact NZ-OE2 3.29Å; K24-E27 WeakPolarHBondContact O-CB 3.38Å; K24-E27 PolarHBondContact O-N 2.88Å; L25-E27 VanDerWaalsContact C-N 3.33Å; E27-N30 PolarHBondContact O-N 3.17Å; E27-K31 HydrophobicContact CG-CD 3.95Å; E27-K31 WeakPolarHBondContact O-CB 3.29Å; E27-K31 WeakPolarHBondContact O-CG 3.43Å; E27-K31 PolarHBondContact O-N 2.97Å; E27-K31 IonicContact OE1-NZ 3.83Å; E27-K31 PolarHBondContact OE1-NZ 3.32Å
28	I	98.3	Very high	97.7	Very high	10 Å²	10	70 Å²	70	5%	0.051	35%	0.352	C	S	.	.	H	α-helix	trans	-60.1	-48.3	176.8	-66.7	165.9	0	0	0	109.8	K24 L25 N30 K31 Q32 G33 D36 R37 Y40	K24-I28 HydrophobicContact CD-CD1 4.34Å; K24-I28 HydrophobicContact CD-CG1 4.42Å; K24-I28 HydrophobicContact CG-CD1 4.19Å; K24-I28 WeakPolarHBondContact O-CG1 3.47Å; K24-I28 PolarHBondContact O-N 3.24Å; L25-I28 PolarHBondContact O-N 2.83Å; I28-N30 VanDerWaalsContact C-N 3.34Å; I28-N30 PolarHBondContact O-N 3.12Å; I28-K31 PolarHBondContact O-N 3.32Å; I28-Q32 WeakPolarHBondContact O-CB 3.08Å; I28-Q32 PolarHBondContact O-N 2.92Å; I28-G33 PolarHBondContact O-N 2.92Å; I28-D36 HydrophobicContact CG2-CB 4.01Å; I28-R37 HydrophobicContact CG2-CB 4.03Å; I28-Y40 HydrophobicContact CD1-CD1 3.36Å; I28-Y40 HydrophobicContact CD1-CD2 4.12Å; I28-Y40 HydrophobicContact CD1-CE1 3.78Å; I28-Y40 HydrophobicContact CD1-CE2 4.49Å; I28-Y40 HydrophobicContact CD1-CG 3.54Å
29	Q	97.8	Very high	97.8	Very high	61 Å²	61	71.3 Å²	71.3	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-58.5	-44.9	179	178.9	172.6	-68.5	0	0	112.9	L25 T26 K31 G33 R37	L25-Q29 WeakPolarHBondContact O-CB 3.48Å; L25-Q29 PolarHBondContact O-N 3.32Å; T26-Q29 PolarHBondContact O-N 3.01Å; Q29-K31 VanDerWaalsContact C-N 3.32Å; Q29-K31 PolarHBondContact O-N 3.21Å; Q29-G33 WeakPolarHBondContact CA-O 3.31Å; Q29-G33 VanDerWaalsContact O-CA 3.24Å; Q29-G33 WeakPolarHBondContact O-CA 3.2Å; Q29-G33 PolarHBondContact O-N 3.44Å; Q29-G33 VanDerWaalsContact O-N 3.09Å; Q29-R37 HydrophobicContact CB-CB 4.35Å
30	N	98	Very high	98	Very high	122 Å²	122	71.4 Å²	71.4	65%	0.652	36%	0.355	S	S	*	.	H	α-helix	trans	-70.8	-29.6	-177.2	-69.5	-6.2	0	0	0	112.5	T26 E27 I28	T26-N30 WeakPolarHBondContact O-CB 3.05Å; T26-N30 PolarHBondContact O-N 2.94Å; T26-N30 PolarHBondContact O-OD1 2.89Å; E27-N30 PolarHBondContact O-N 3.17Å; I28-N30 VanDerWaalsContact C-N 3.34Å; I28-N30 PolarHBondContact O-N 3.12Å
31	K	98.1	Very high	98	Very high	150 Å²	150	70.8 Å²	70.8	65%	0.652	35%	0.351	S	S	*	.	H	α-helix	trans	-92.4	-35.4	-176.9	-71.1	-177.2	177.2	177.9	0	114	E27 I28 Q29	E27-K31 HydrophobicContact CG-CD 3.95Å; E27-K31 WeakPolarHBondContact O-CB 3.29Å; E27-K31 WeakPolarHBondContact O-CG 3.43Å; E27-K31 PolarHBondContact O-N 2.97Å; E27-K31 IonicContact OE1-NZ 3.83Å; E27-K31 PolarHBondContact OE1-NZ 3.32Å; I28-K31 PolarHBondContact O-N 3.32Å; Q29-K31 VanDerWaalsContact C-N 3.32Å; Q29-K31 PolarHBondContact O-N 3.21Å
32	Q	97.5	Very high	98.1	Very high	124 Å²	124	67 Å²	67	58%	0.579	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-37.3	-168.1	-62	173.3	-9.7	0	0	111.6	I28 D36	I28-Q32 WeakPolarHBondContact O-CB 3.08Å; I28-Q32 PolarHBondContact O-N 2.92Å; Q32-D36 HydrophobicContact CB-CB 3.63Å
33	G	97.7	Very high	98.1	Very high	23 Å²	23	67 Å²	67	24%	0.237	33%	0.329	C	S	.	.			trans	126.8	174.6	175.6	0	0	0	0	0	112.9	I28 Q29 C35 R37	I28-G33 PolarHBondContact O-N 2.92Å; Q29-G33 WeakPolarHBondContact CA-O 3.31Å; Q29-G33 VanDerWaalsContact O-CA 3.24Å; Q29-G33 WeakPolarHBondContact O-CA 3.2Å; Q29-G33 PolarHBondContact O-N 3.44Å; Q29-G33 VanDerWaalsContact O-N 3.09Å; G33-C35 VanDerWaalsContact C-N 3.32Å; G33-C35 PolarHBondContact O-N 3.38Å; G33-R37 PolarHBondContact O-N 2.96Å
34	I	97.5	Very high	98.1	Very high	93 Å²	93	56.9 Å²	56.9	48%	0.477	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-35.7	-179.5	-168.5	168.7	0	0	0	112.2	R37 L38	I34-R37 WeakPolarHBondContact O-CB 3.37Å; I34-R37 PolarHBondContact O-N 2.96Å; I34-L38 HydrophobicContact CG1-CD1 4.11Å; I34-L38 HydrophobicContact CG1-CG 4.37Å; I34-L38 WeakPolarHBondContact O-CG 3.26Å; I34-L38 PolarHBondContact O-N 3.17Å
35	C	97.9	Very high	98.1	Very high	94 Å²	94	53 Å²	53	64%	0.635	28%	0.275	S	S	*	.	H	α-helix	trans	-61.4	-51.2	178.3	-63.4	0	0	0	0	111.3	G33 R37 L38 E39	G33-C35 VanDerWaalsContact C-N 3.32Å; G33-C35 PolarHBondContact O-N 3.38Å; C35-R37 VanDerWaalsContact C-N 3.28Å; C35-R37 PolarHBondContact O-N 3.05Å; C35-L38 PolarHBondContact O-N 2.86Å; C35-L38 VanDerWaalsContact O-N 3.11Å; C35-E39 WeakPolarHBondContact O-CB 3.38Å; C35-E39 PolarHBondContact O-N 3.01Å
36	D	98.3	Very high	98.1	Very high	74 Å²	74	54.9 Å²	54.9	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-35	176.6	-64.3	-90.9	0	0	0	112.8	I28 Q32 Y40	I28-D36 HydrophobicContact CG2-CB 4.01Å; Q32-D36 HydrophobicContact CB-CB 3.63Å; D36-Y40 VanDerWaalsContact O-CB 3.32Å; D36-Y40 WeakPolarHBondContact O-CB 3.49Å; D36-Y40 PolarHBondContact O-N 3.4Å
37	R	98.3	Very high	98.1	Very high	14 Å²	14	57.1 Å²	57.1	5%	0.053	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-47.6	173.2	-177.3	-166	63.7	166.7	18.4	110.9	L25 I28 Q29 G33 I34 C35 Y40 V41 V82	L25-R37 HydrophobicContact CB-CG 4.17Å; L25-R37 HydrophobicContact CD2-CG 4.1Å; I28-R37 HydrophobicContact CG2-CB 4.03Å; Q29-R37 HydrophobicContact CB-CB 4.35Å; G33-R37 PolarHBondContact O-N 2.96Å; I34-R37 WeakPolarHBondContact O-CB 3.37Å; I34-R37 PolarHBondContact O-N 2.96Å; C35-R37 VanDerWaalsContact C-N 3.28Å; C35-R37 PolarHBondContact O-N 3.05Å; R37-Y40 PolarHBondContact O-N 2.91Å; R37-V41 WeakPolarHBondContact O-CG2 3.32Å; R37-V41 PolarHBondContact O-N 3.2Å; R37-V82 VanDerWaalsContact NH1-CA 3.32Å
38	L	98.5	Very high	98.1	Very high	24 Å²	24	53.8 Å²	53.8	13%	0.126	28%	0.276	C	S	.	.	H	α-helix	trans	-67.8	-38.6	-179.8	-69.7	171	0	0	0	111.7	I34 C35 V41 S42 Y84 D88	I34-L38 HydrophobicContact CG1-CD1 4.11Å; I34-L38 HydrophobicContact CG1-CG 4.37Å; I34-L38 WeakPolarHBondContact O-CG 3.26Å; I34-L38 PolarHBondContact O-N 3.17Å; C35-L38 PolarHBondContact O-N 2.86Å; C35-L38 VanDerWaalsContact O-N 3.11Å; L38-V41 PolarHBondContact O-N 3.35Å; L38-S42 WeakPolarHBondContact O-CB 3.35Å; L38-S42 PolarHBondContact O-N 2.83Å; L38-Y84 HydrophobicContact CD2-CG 4.33Å; L38-D88 HydrophobicContact CD1-CB 4.2Å; L38-D88 HydrophobicContact CD2-CB 3.97Å
39	E	98.3	Very high	98	Very high	106 Å²	106	53.3 Å²	53.3	50%	0.495	27%	0.274	S	S	.	.	H	α-helix	trans	-57.5	-50.5	172.1	-167.2	77.2	-151.5	0	0	110.7	C35 V41 S42 S43	C35-E39 WeakPolarHBondContact O-CB 3.38Å; C35-E39 PolarHBondContact O-N 3.01Å; E39-V41 PolarHBondContact O-N 3.38Å; E39-S42 WeakPolarHBondContact O-CB 3.33Å; E39-S42 PolarHBondContact O-N 3.01Å; E39-S43 PolarHBondContact O-N 3.48Å
40	Y	98.4	Very high	98	Very high	68 Å²	68	53.6 Å²	53.6	27%	0.267	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-46.5	179.1	174.5	-103.4	0	0	0	112.3	T20 K24 L25 I28 D36 R37 S43 I44	T20-Y40 HydrophobicContact CG2-CE1 4.33Å; K24-Y40 HydrophobicContact CG-CE1 4.32Å; L25-Y40 HydrophobicContact CD2-CD1 3.71Å; L25-Y40 HydrophobicContact CD2-CE1 3.95Å; I28-Y40 HydrophobicContact CD1-CD1 3.36Å; I28-Y40 HydrophobicContact CD1-CD2 4.12Å; I28-Y40 HydrophobicContact CD1-CE1 3.78Å; I28-Y40 HydrophobicContact CD1-CE2 4.49Å; I28-Y40 HydrophobicContact CD1-CG 3.54Å; D36-Y40 VanDerWaalsContact O-CB 3.32Å; D36-Y40 WeakPolarHBondContact O-CB 3.49Å; D36-Y40 PolarHBondContact O-N 3.4Å; R37-Y40 PolarHBondContact O-N 2.91Å; Y40-S43 PolarHBondContact O-N 2.92Å; Y40-S43 PolarHBondContact O-OG 3.22Å; Y40-I44 HydrophobicContact CD1-CD1 4.18Å; Y40-I44 HydrophobicContact CE1-CD1 3.61Å; Y40-I44 HydrophobicContact CE2-CD1 4.41Å; Y40-I44 PolarHBondContact O-N 2.87Å
41	V	98.2	Very high	98	Very high	2 Å²	2	48 Å²	48	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-42	176.7	172.4	0	0	0	0	111.2	L25 R37 L38 E39 S43 I44 V45 Y84 L89	L25-V41 HydrophobicContact CD1-CG2 3.82Å; L25-V41 HydrophobicContact CD2-CG2 3.33Å; L25-V41 HydrophobicContact CG-CG2 4.22Å; R37-V41 WeakPolarHBondContact O-CG2 3.32Å; R37-V41 PolarHBondContact O-N 3.2Å; L38-V41 PolarHBondContact O-N 3.35Å; E39-V41 PolarHBondContact O-N 3.38Å; V41-S43 VanDerWaalsContact C-N 3.27Å; V41-S43 PolarHBondContact O-N 3.46Å; V41-I44 WeakPolarHBondContact O-CB 3.33Å; V41-I44 PolarHBondContact O-N 3.26Å; V41-V45 HydrophobicContact CG1-CG2 4.14Å; V41-V45 WeakPolarHBondContact O-CG2 3.5Å; V41-V45 PolarHBondContact O-N 3.36Å; V41-Y84 HydrophobicContact CG1-CD1 4.26Å; V41-Y84 HydrophobicContact CG1-CD2 4.45Å; V41-Y84 HydrophobicContact CG1-CE1 3.54Å; V41-Y84 HydrophobicContact CG1-CE2 3.73Å; V41-Y84 VanDerWaalsContact CG1-OH 3.23Å; V41-Y84 WeakPolarHBondContact CG1-OH 3.48Å; V41-L89 HydrophobicContact CG1-CD2 4.11Å
42	S	98.3	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.7	-40.6	177.8	-174.8	0	0	0	0	111.7	L38 E39 I44 V45 L46 N91	L38-S42 WeakPolarHBondContact O-CB 3.35Å; L38-S42 PolarHBondContact O-N 2.83Å; E39-S42 WeakPolarHBondContact O-CB 3.33Å; E39-S42 PolarHBondContact O-N 3.01Å; S42-I44 PolarHBondContact O-N 2.92Å; S42-V45 PolarHBondContact O-N 3.47Å; S42-L46 WeakPolarHBondContact O-CB 3.3Å; S42-L46 PolarHBondContact O-N 3.5Å; S42-N91 VanDerWaalsContact OG-CB 3.31Å; S42-N91 WeakPolarHBondContact OG-CB 3.35Å; S42-N91 PolarHBondContact OG-N 2.99Å; S42-N91 VanDerWaalsContact OG-N 3.17Å; S42-N91 PolarHBondContact OG-ND2 3.3Å; S42-N91 VanDerWaalsContact OG-ND2 3.12Å
43	S	98.1	Very high	97.9	Very high	39 Å²	39	36 Å²	36	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-60.4	-41.9	174.2	78.4	0	0	0	0	112.7	E39 Y40 V41 E47	E39-S43 PolarHBondContact O-N 3.48Å; Y40-S43 PolarHBondContact O-N 2.92Å; Y40-S43 PolarHBondContact O-OG 3.22Å; V41-S43 VanDerWaalsContact C-N 3.27Å; V41-S43 PolarHBondContact O-N 3.46Å; S43-E47 WeakPolarHBondContact O-CG 3.49Å; S43-E47 PolarHBondContact O-N 3.1Å
44	I	98.3	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-46.2	178	-68.2	167.7	0	0	0	110.6	R18 T20 Y40 V41 S42 L46 E47 N48 P75	R18-I44 HydrophobicContact CB-CG2 3.78Å; T20-I44 HydrophobicContact CG2-CD1 4.09Å; Y40-I44 HydrophobicContact CD1-CD1 4.18Å; Y40-I44 HydrophobicContact CE1-CD1 3.61Å; Y40-I44 HydrophobicContact CE2-CD1 4.41Å; Y40-I44 PolarHBondContact O-N 2.87Å; V41-I44 WeakPolarHBondContact O-CB 3.33Å; V41-I44 PolarHBondContact O-N 3.26Å; S42-I44 PolarHBondContact O-N 2.92Å; I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 PolarHBondContact O-N 2.8Å; I44-E47 PolarHBondContact O-N 3.3Å; I44-N48 WeakPolarHBondContact O-CB 3.47Å; I44-N48 VanDerWaalsContact O-CG 3.23Å; I44-N48 PolarHBondContact O-N 3.26Å; I44-P75 HydrophobicContact CG2-CG 3.81Å
45	V	98.3	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-43.2	-179.7	172.8	0	0	0	0	110.8	V41 S42 N48 A49 F74 L89 V95	V41-V45 HydrophobicContact CG1-CG2 4.14Å; V41-V45 WeakPolarHBondContact O-CG2 3.5Å; V41-V45 PolarHBondContact O-N 3.36Å; S42-V45 PolarHBondContact O-N 3.47Å; V45-N48 WeakPolarHBondContact O-CB 3Å; V45-N48 PolarHBondContact O-N 3.4Å; V45-A49 PolarHBondContact O-N 3.32Å; V45-F74 HydrophobicContact CG1-CD1 3.81Å; V45-F74 HydrophobicContact CG1-CD2 4.07Å; V45-F74 HydrophobicContact CG1-CE1 3.44Å; V45-F74 VanDerWaalsContact CG1-CE1 3.44Å; V45-F74 HydrophobicContact CG1-CE2 3.68Å; V45-F74 HydrophobicContact CG1-CG 4.11Å; V45-F74 HydrophobicContact CG1-CZ 3.36Å; V45-F74 HydrophobicContact CG2-CB 4.37Å; V45-F74 HydrophobicContact CG2-CD1 3.94Å; V45-F74 HydrophobicContact CG2-CE1 4.37Å; V45-F74 HydrophobicContact CG2-CG 4.06Å; V45-L89 HydrophobicContact CB-CD1 4.13Å; V45-L89 HydrophobicContact CG1-CD1 3.99Å; V45-L89 HydrophobicContact CG2-CD1 4.06Å; V45-V95 HydrophobicContact CG1-CB 4.38Å; V45-V95 HydrophobicContact CG1-CG1 3.54Å; V45-V95 HydrophobicContact CG1-CG2 3.88Å
46	L	98	Very high	97.7	Very high	38 Å²	38	30.5 Å²	30.5	20%	0.199	15%	0.151	C	C	.	.	H	α-helix	trans	-63.1	-46.4	176.9	179.5	59.1	0	0	0	112	S42 I44 N48 A49 L50 T94 V95 K98	S42-L46 WeakPolarHBondContact O-CB 3.3Å; S42-L46 PolarHBondContact O-N 3.5Å; I44-L46 VanDerWaalsContact C-N 3.33Å; I44-L46 PolarHBondContact O-N 2.8Å; L46-N48 VanDerWaalsContact C-N 3.28Å; L46-N48 PolarHBondContact O-N 3.12Å; L46-A49 PolarHBondContact O-N 3.26Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 2.79Å; L46-L50 VanDerWaalsContact O-N 3.08Å; L46-T94 HydrophobicContact CD1-CG2 3.81Å; L46-V95 HydrophobicContact CB-CG2 4.07Å; L46-V95 HydrophobicContact CD1-CG2 4.34Å; L46-K98 HydrophobicContact CD1-CG 4.21Å
47	E	97.7	Very high	97.6	Very high	88 Å²	88	29.7 Å²	29.7	41%	0.411	15%	0.146	S	C	.	.	H	α-helix	trans	-61.1	-37.8	175.5	-75.2	176.7	-143.3	0	0	112.1	R18 S43 I44 L50 A51	R18-E47 WeakPolarHBondContact CD-OE2 3.49Å; R18-E47 IonicContact CZ-OE1 3.49Å; R18-E47 IonicContact CZ-OE2 3.55Å; R18-E47 IonicContact NE-OE2 3.19Å; R18-E47 IonicContact NH1-OE1 2.62Å; R18-E47 PolarHBondContact NH1-OE1 3.47Å; R18-E47 IonicContact NH1-OE2 2.82Å; R18-E47 PolarHBondContact NH1-OE2 3.38Å; S43-E47 WeakPolarHBondContact O-CG 3.49Å; S43-E47 PolarHBondContact O-N 3.1Å; I44-E47 PolarHBondContact O-N 3.3Å; E47-L50 PolarHBondContact O-N 3.46Å; E47-A51 WeakPolarHBondContact O-CB 3.4Å; E47-A51 PolarHBondContact O-N 2.72Å
48	N	97.9	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.2	-39	175.4	-77.3	-11.1	0	0	0	112.7	F17 R18 I44 V45 L46 A51 L52 R72 L73	F17-N48 VanDerWaalsContact CA-OD1 3.29Å; F17-N48 WeakPolarHBondContact CA-OD1 3.37Å; F17-N48 HydrophobicContact CD1-CB 4.25Å; F17-N48 WeakPolarHBondContact CE1-O 3.12Å; R18-N48 PolarHBondContact N-OD1 3.11Å; R18-N48 PolarHBondContact O-ND2 3.38Å; R18-N48 PolarHBondContact O-OD1 3.33Å; I44-N48 WeakPolarHBondContact O-CB 3.47Å; I44-N48 VanDerWaalsContact O-CG 3.23Å; I44-N48 PolarHBondContact O-N 3.26Å; V45-N48 WeakPolarHBondContact O-CB 3Å; V45-N48 PolarHBondContact O-N 3.4Å; L46-N48 VanDerWaalsContact C-N 3.28Å; L46-N48 PolarHBondContact O-N 3.12Å; N48-A51 PolarHBondContact O-N 3.46Å; N48-L52 PolarHBondContact O-N 3.22Å; N48-R72 PolarHBondContact ND2-O 2.85Å; N48-L73 HydrophobicContact CB-CD1 3.93Å; N48-L73 HydrophobicContact CB-CG 4.46Å; N48-L73 PolarHBondContact ND2-O 2.82Å
49	A	97.7	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-42.4	174.3	0	0	0	0	0	111.4	V45 L46 L52 Q53 K98 L99	V45-A49 PolarHBondContact O-N 3.32Å; L46-A49 PolarHBondContact O-N 3.26Å; A49-L52 WeakPolarHBondContact O-CB 3.11Å; A49-L52 PolarHBondContact O-N 2.52Å; A49-Q53 PolarHBondContact O-N 2.87Å; A49-K98 HydrophobicContact CB-CB 3.94Å; A49-L99 HydrophobicContact CB-CD2 3.8Å; A49-L99 HydrophobicContact CB-CG 3.96Å
50	L	97.1	Very high	97.1	Very high	66 Å²	66	27 Å²	27	35%	0.346	14%	0.137	S	C	.	.	H	α-helix	trans	-66.1	-40.3	174.6	-65.5	173.2	0	0	0	112.1	L46 E47 L52 Q53 Q54 K98	L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 2.79Å; L46-L50 VanDerWaalsContact O-N 3.08Å; E47-L50 PolarHBondContact O-N 3.46Å; L50-L52 VanDerWaalsContact C-N 3.29Å; L50-L52 PolarHBondContact O-N 2.89Å; L50-Q53 WeakPolarHBondContact O-CB 3.39Å; L50-Q53 PolarHBondContact O-N 3.19Å; L50-Q54 WeakPolarHBondContact O-CG 3.49Å; L50-Q54 PolarHBondContact O-N 2.97Å; L50-Q54 VanDerWaalsContact O-N 3.13Å; L50-K98 HydrophobicContact CD2-CD 4.1Å; L50-K98 HydrophobicContact CD2-CG 4.02Å
51	A	96.9	Very high	97	Very high	5 Å²	5	31 Å²	31	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-63.2	-35.5	175.1	0	0	0	0	0	112.1	I15 R16 F17 E47 N48 Q54 A55	I15-A51 HydrophobicContact CG2-CB 4.32Å; I15-A51 WeakPolarHBondContact CG2-O 3.41Å; R16-A51 WeakPolarHBondContact O-CB 3.46Å; F17-A51 HydrophobicContact CD1-CB 3.99Å; F17-A51 HydrophobicContact CE1-CB 3.83Å; F17-A51 HydrophobicContact CZ-CB 4.22Å; E47-A51 WeakPolarHBondContact O-CB 3.4Å; E47-A51 PolarHBondContact O-N 2.72Å; N48-A51 PolarHBondContact O-N 3.46Å; A51-Q54 PolarHBondContact O-N 3.44Å; A51-A55 WeakPolarHBondContact O-CB 3.48Å; A51-A55 PolarHBondContact O-N 3.19Å
52	L	97.6	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-43.1	174.1	-179.9	59.9	0	0	0	111.6	F17 N48 A49 L50 Q54 A55 I56 F67 I69 L99 A102 V148	F17-L52 HydrophobicContact CE1-CB 4.08Å; F17-L52 HydrophobicContact CZ-CB 4.43Å; N48-L52 PolarHBondContact O-N 3.22Å; A49-L52 WeakPolarHBondContact O-CB 3.11Å; A49-L52 PolarHBondContact O-N 2.52Å; L50-L52 VanDerWaalsContact C-N 3.29Å; L50-L52 PolarHBondContact O-N 2.89Å; L52-Q54 VanDerWaalsContact C-N 3.32Å; L52-Q54 PolarHBondContact O-N 3.2Å; L52-A55 WeakPolarHBondContact O-CB 2.97Å; L52-A55 PolarHBondContact O-N 3.5Å; L52-I56 HydrophobicContact CD1-CD1 4.14Å; L52-I56 HydrophobicContact CD1-CG1 4.38Å; L52-I56 HydrophobicContact CG-CD1 3.99Å; L52-I56 WeakPolarHBondContact O-CD1 3.46Å; L52-I56 VanDerWaalsContact O-CG1 3.3Å; L52-I56 WeakPolarHBondContact O-CG1 3.4Å; L52-I56 PolarHBondContact O-N 3.23Å; L52-F67 HydrophobicContact CD1-CD1 3.91Å; L52-F67 HydrophobicContact CD1-CE1 3.71Å; L52-I69 HydrophobicContact CD1-CD1 4.16Å; L52-I69 HydrophobicContact CD1-CG1 3.89Å; L52-I69 HydrophobicContact CD2-CD1 4.06Å; L52-L99 HydrophobicContact CD2-CD2 4.14Å; L52-A102 HydrophobicContact CD2-CB 4.05Å; L52-A102 HydrophobicContact CG-CB 4.08Å; L52-V148 HydrophobicContact CD2-CG1 3.89Å
53	Q	96.8	Very high	96.5	Very high	23 Å²	23	40.3 Å²	40.3	11%	0.107	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-45.3	174.3	-64.5	-174.4	11.4	0	0	111.5	A49 L50 A55 I56 L57 K98 E101 A102 F105	A49-Q53 PolarHBondContact O-N 2.87Å; L50-Q53 WeakPolarHBondContact O-CB 3.39Å; L50-Q53 PolarHBondContact O-N 3.19Å; Q53-A55 VanDerWaalsContact C-N 3.33Å; Q53-A55 PolarHBondContact O-N 3.41Å; Q53-I56 PolarHBondContact O-N 3.36Å; Q53-L57 WeakPolarHBondContact O-CG 3.49Å; Q53-L57 PolarHBondContact O-N 3.06Å; Q53-K98 PolarHBondContact NE2-O 3.25Å; Q53-E101 PolarHBondContact NE2-OE2 3.43Å; Q53-A102 HydrophobicContact CG-CB 3.71Å; Q53-F105 HydrophobicContact CB-CD2 4.47Å
54	Q	96.4	Very high	96.3	Very high	94 Å²	94	40.1 Å²	40.1	44%	0.439	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-39.6	177.4	-64.2	172.5	35.2	0	0	112	I15 L50 A51 L52 I56 L57 Y58	I15-Q54 HydrophobicContact CD1-CB 4.1Å; I15-Q54 HydrophobicContact CG1-CB 3.9Å; I15-Q54 HydrophobicContact CG2-CB 4.41Å; L50-Q54 WeakPolarHBondContact O-CG 3.49Å; L50-Q54 PolarHBondContact O-N 2.97Å; L50-Q54 VanDerWaalsContact O-N 3.13Å; A51-Q54 PolarHBondContact O-N 3.44Å; L52-Q54 VanDerWaalsContact C-N 3.32Å; L52-Q54 PolarHBondContact O-N 3.2Å; Q54-I56 PolarHBondContact O-N 3.45Å; Q54-L57 PolarHBondContact O-N 3.11Å; Q54-Y58 WeakPolarHBondContact O-CB 3.28Å; Q54-Y58 PolarHBondContact O-N 3.16Å
55	A	96.6	Very high	96	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-44	175.6	0	0	0	0	0	112.2	F10 I15 F17 A51 L52 Q53 Y58 C59 F67	F10-A55 HydrophobicContact CE2-CB 3.55Å; F10-A55 HydrophobicContact CZ-CB 3.45Å; F10-A55 VanDerWaalsContact CZ-CB 3.45Å; I15-A55 HydrophobicContact CG2-CB 4.26Å; F17-A55 HydrophobicContact CZ-CB 4.24Å; A51-A55 WeakPolarHBondContact O-CB 3.48Å; A51-A55 PolarHBondContact O-N 3.19Å; L52-A55 WeakPolarHBondContact O-CB 2.97Å; L52-A55 PolarHBondContact O-N 3.5Å; Q53-A55 VanDerWaalsContact C-N 3.33Å; Q53-A55 PolarHBondContact O-N 3.41Å; A55-Y58 PolarHBondContact O-N 3.35Å; A55-C59 PolarHBondContact O-N 2.96Å; A55-C59 PolarHBondContact O-SG 3.47Å; A55-F67 HydrophobicContact CB-CD1 4.42Å; A55-F67 HydrophobicContact CB-CD2 4.49Å; A55-F67 HydrophobicContact CB-CE1 3.9Å; A55-F67 HydrophobicContact CB-CE2 3.99Å; A55-F67 HydrophobicContact CB-CZ 3.66Å
56	I	96.6	Very high	95.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-48.5	177.8	-68.2	163.9	0	0	0	110.3	L52 Q53 Q54 Y58 C59 A60 A102 F105 A106 I111 L113	L52-I56 HydrophobicContact CD1-CD1 4.14Å; L52-I56 HydrophobicContact CD1-CG1 4.38Å; L52-I56 HydrophobicContact CG-CD1 3.99Å; L52-I56 WeakPolarHBondContact O-CD1 3.46Å; L52-I56 VanDerWaalsContact O-CG1 3.3Å; L52-I56 WeakPolarHBondContact O-CG1 3.4Å; L52-I56 PolarHBondContact O-N 3.23Å; Q53-I56 PolarHBondContact O-N 3.36Å; Q54-I56 PolarHBondContact O-N 3.45Å; I56-Y58 VanDerWaalsContact C-N 3.29Å; I56-Y58 PolarHBondContact O-N 3.17Å; I56-C59 WeakPolarHBondContact O-CB 3.42Å; I56-C59 PolarHBondContact O-N 3.08Å; I56-C59 VanDerWaalsContact O-N 3.14Å; I56-A60 PolarHBondContact O-N 2.92Å; I56-A102 HydrophobicContact CD1-CB 3.87Å; I56-A102 VanDerWaalsContact CD1-O 3.3Å; I56-A102 WeakPolarHBondContact CD1-O 3.38Å; I56-F105 HydrophobicContact CG2-CB 4.01Å; I56-A106 HydrophobicContact CD1-CB 4.14Å; I56-A106 HydrophobicContact CG2-CB 4.17Å; I56-I111 HydrophobicContact CB-CD1 4.46Å; I56-I111 HydrophobicContact CG2-CD1 3.64Å; I56-I111 WeakPolarHBondContact O-CD1 3.5Å; I56-L113 HydrophobicContact CD1-CD1 4.11Å; I56-L113 HydrophobicContact CD1-CD2 4.17Å; I56-L113 HydrophobicContact CG1-CD2 4.07Å
57	L	95.2	Very high	95.7	Very high	56 Å²	56	40 Å²	40	29%	0.293	22%	0.219	S	C	.	.	H	α-helix	trans	-60.1	-40.1	177.1	-68.9	174	0	0	0	111.9	Q53 Q54 A60 Q61 F105 Y109	Q53-L57 WeakPolarHBondContact O-CG 3.49Å; Q53-L57 PolarHBondContact O-N 3.06Å; Q54-L57 PolarHBondContact O-N 3.11Å; L57-A60 WeakPolarHBondContact O-CB 3.46Å; L57-A60 PolarHBondContact O-N 3.34Å; L57-Q61 VanDerWaalsContact O-CG 3.29Å; L57-Q61 WeakPolarHBondContact O-CG 3.41Å; L57-Q61 PolarHBondContact O-N 2.88Å; L57-F105 HydrophobicContact CD2-CD2 4.36Å; L57-F105 HydrophobicContact CG-CD2 4.48Å; L57-Y109 HydrophobicContact CD2-CD2 4.34Å; L57-Y109 HydrophobicContact CD2-CE2 3.61Å
58	Y	95.5	Very high	95.6	Very high	54 Å²	54	38 Å²	38	21%	0.212	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-45.1	174.5	179.8	-90.9	0	0	0	112	F10 V13 I15 Q54 A55 I56 A60 Q61 K62	F10-Y58 HydrophobicContact CD1-CD1 4.02Å; F10-Y58 HydrophobicContact CD1-CE1 4.16Å; F10-Y58 HydrophobicContact CD1-CG 4.48Å; F10-Y58 AromaticContact CE1-CD1 3.47Å; F10-Y58 HydrophobicContact CE1-CD1 3.47Å; F10-Y58 VanDerWaalsContact CE1-CD1 3.47Å; F10-Y58 AromaticContact CE1-CE1 3.97Å; F10-Y58 HydrophobicContact CE1-CE1 3.97Å; F10-Y58 HydrophobicContact CE1-CG 4.03Å; V13-Y58 HydrophobicContact CB-CE2 4.42Å; V13-Y58 HydrophobicContact CG1-CD2 4.13Å; V13-Y58 HydrophobicContact CG1-CE2 4.31Å; V13-Y58 HydrophobicContact CG2-CD2 4.08Å; V13-Y58 HydrophobicContact CG2-CE2 3.45Å; V13-Y58 VanDerWaalsContact CG2-CE2 3.45Å; I15-Y58 HydrophobicContact CD1-CG 4.29Å; Q54-Y58 WeakPolarHBondContact O-CB 3.28Å; Q54-Y58 PolarHBondContact O-N 3.16Å; A55-Y58 PolarHBondContact O-N 3.35Å; I56-Y58 VanDerWaalsContact C-N 3.29Å; I56-Y58 PolarHBondContact O-N 3.17Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 3.38Å; Y58-Q61 PolarHBondContact O-N 3.42Å; Y58-K62 HydrophobicContact CD1-CG 4.18Å; Y58-K62 HydrophobicContact CD2-CG 4.44Å; Y58-K62 HydrophobicContact CE1-CG 3.71Å; Y58-K62 HydrophobicContact CE2-CD 4.46Å; Y58-K62 HydrophobicContact CE2-CG 3.93Å; Y58-K62 WeakPolarHBondContact O-CG 3.44Å; Y58-K62 PolarHBondContact O-N 2.9Å
59	C	94.8	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-44	176.2	-69.9	0	0	0	0	111	A55 I56 Q61 K62 G63 I64 I111	A55-C59 PolarHBondContact O-N 2.96Å; A55-C59 PolarHBondContact O-SG 3.47Å; I56-C59 WeakPolarHBondContact O-CB 3.42Å; I56-C59 PolarHBondContact O-N 3.08Å; I56-C59 VanDerWaalsContact O-N 3.14Å; C59-Q61 PolarHBondContact O-N 3.37Å; C59-K62 CarbonylContact O-C 3.58Å; C59-K62 PolarHBondContact O-N 3.08Å; C59-G63 PolarHBondContact O-N 3.22Å; C59-G63 VanDerWaalsContact O-N 3.08Å; C59-I64 CarbonylContact C-O 3.57Å; C59-I64 HydrophobicContact CB-CB 3.94Å; C59-I64 HydrophobicContact CB-CG2 4.29Å; C59-I64 PolarHBondContact O-N 2.93Å; C59-I111 HydrophobicContact CB-CD1 3.81Å; C59-I111 HydrophobicContact CB-CG1 4.46Å
60	A	95.3	Very high	95.3	Very high	34 Å²	34	39.2 Å²	39.2	28%	0.281	22%	0.219	S	C	.	.	H	α-helix	trans	-59.2	-47.6	176.8	0	0	0	0	0	111.5	I56 L57 Y58 K62 G63 Y109 I111	I56-A60 PolarHBondContact O-N 2.92Å; L57-A60 WeakPolarHBondContact O-CB 3.46Å; L57-A60 PolarHBondContact O-N 3.34Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 3.38Å; A60-K62 VanDerWaalsContact C-N 3.25Å; A60-K62 PolarHBondContact O-N 3.29Å; A60-G63 PolarHBondContact O-N 2.87Å; A60-Y109 HydrophobicContact CB-CD1 3.91Å; A60-Y109 HydrophobicContact CB-CD2 4.14Å; A60-Y109 HydrophobicContact CB-CG 3.66Å; A60-I111 HydrophobicContact CB-CD1 3.89Å
61	Q	95.4	Very high	95	Very high	152 Å²	152	37.1 Å²	37.1	71%	0.71	21%	0.211	S	C	*	.	H	α-helix	trans	-64	-27.4	178.9	-71.6	171.3	9.9	0	0	113.5	L57 Y58 C59	L57-Q61 VanDerWaalsContact O-CG 3.29Å; L57-Q61 WeakPolarHBondContact O-CG 3.41Å; L57-Q61 PolarHBondContact O-N 2.88Å; Y58-Q61 PolarHBondContact O-N 3.42Å; C59-Q61 PolarHBondContact O-N 3.37Å
62	K	93.9	Very high	94.7	Very high	127 Å²	127	45.1 Å²	45.1	55%	0.552	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	3.2	179.4	-64.5	-58.3	-175.3	-178	0	113.9	Y58 C59 A60 I64	Y58-K62 HydrophobicContact CD1-CG 4.18Å; Y58-K62 HydrophobicContact CD2-CG 4.44Å; Y58-K62 HydrophobicContact CE1-CG 3.71Å; Y58-K62 HydrophobicContact CE2-CD 4.46Å; Y58-K62 HydrophobicContact CE2-CG 3.93Å; Y58-K62 WeakPolarHBondContact O-CG 3.44Å; Y58-K62 PolarHBondContact O-N 2.9Å; C59-K62 CarbonylContact O-C 3.58Å; C59-K62 PolarHBondContact O-N 3.08Å; A60-K62 VanDerWaalsContact C-N 3.25Å; A60-K62 PolarHBondContact O-N 3.29Å; K62-I64 HydrophobicContact CB-CD1 3.95Å; K62-I64 HydrophobicContact CB-CG1 3.98Å; K62-I64 PolarHBondContact O-N 3.35Å
63	G	92.9	Very high	94.6	Very high	70 Å²	70	45.2 Å²	45.2	72%	0.722	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	26.9	-176.2	0	0	0	0	0	113.5	C59 A60	C59-G63 PolarHBondContact O-N 3.22Å; C59-G63 VanDerWaalsContact O-N 3.08Å; A60-G63 PolarHBondContact O-N 2.87Å
64	I	92.5	Very high	94.7	Very high	35 Å²	35	44.4 Å²	44.4	18%	0.179	24%	0.236	C	C	.	.			trans	-90.2	119.6	175.5	-58.7	171.9	0	0	0	107.6	L4 L6 C59 K62 C66	L4-I64 WeakPolarHBondContact O-CG2 3.25Å; L6-I64 HydrophobicContact CB-CD1 4.33Å; L6-I64 HydrophobicContact CB-CG2 4.09Å; L6-I64 HydrophobicContact CD2-CD1 4.46Å; C59-I64 CarbonylContact C-O 3.57Å; C59-I64 HydrophobicContact CB-CB 3.94Å; C59-I64 HydrophobicContact CB-CG2 4.29Å; C59-I64 PolarHBondContact O-N 2.93Å; K62-I64 HydrophobicContact CB-CD1 3.95Å; K62-I64 HydrophobicContact CB-CG1 3.98Å; K62-I64 PolarHBondContact O-N 3.35Å; I64-C66 WeakPolarHBondContact CG2-O 3.38Å
65	G	92.9	Very high	94.7	Very high	16 Å²	16	40 Å²	40	17%	0.165	22%	0.216	C	C	.	.			trans	-94.5	2	-172.3	0	0	0	0	0	115.2	R3 L4 I111 R112	R3-G65 WeakPolarHBondContact CD-O 3.28Å; R3-G65 PolarHBondContact NE-O 3.24Å; L4-G65 PolarHBondContact O-N 3.25Å; G65-I111 CarbonylContact O-C 3.4Å; G65-I111 WeakPolarHBondContact O-CA 3.36Å; G65-R112 PolarHBondContact O-N 3.34Å
66	C	94.4	Very high	94.7	Very high	20 Å²	20	41.6 Å²	41.6	14%	0.135	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.2	177.8	176.8	0	0	0	0	111.8	R3 L4 G5 L6 I64 R112	R3-C66 HydrophobicContact CG-CB 4.18Å; L4-C66 PolarHBondContact O-N 3.01Å; L4-C66 VanDerWaalsContact O-N 3.14Å; G5-C66 CarbonylContact C-O 3.52Å; G5-C66 WeakPolarHBondContact CA-O 3.48Å; L6-C66 PolarHBondContact N-O 3.23Å; I64-C66 WeakPolarHBondContact CG2-O 3.38Å; C66-R112 CarbonylContact C-O 3.51Å; C66-R112 VanDerWaalsContact CA-O 3.25Å; C66-R112 WeakPolarHBondContact CA-O 3.25Å; C66-R112 HydrophobicContact CB-CB 4.34Å
67	F	94.7	Very high	94.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.2	173.9	-176	-104.9	0	0	0	111	L6 F10 F17 L52 A55 I69 I111 R112 L113 V114	L6-F67 HydrophobicContact CB-CD2 4.23Å; L6-F67 HydrophobicContact CD2-CD2 4.47Å; L6-F67 HydrophobicContact CD2-CE2 4.42Å; L6-F67 WeakPolarHBondContact O-CA 3.48Å; F10-F67 AromaticContact CE2-CE2 3.74Å; F10-F67 HydrophobicContact CE2-CE2 3.74Å; F10-F67 AromaticContact CE2-CZ 3.94Å; F10-F67 HydrophobicContact CE2-CZ 3.94Å; F10-F67 HydrophobicContact CZ-CD2 4.33Å; F10-F67 AromaticContact CZ-CE2 3.57Å; F10-F67 HydrophobicContact CZ-CE2 3.57Å; F10-F67 HydrophobicContact CZ-CZ 4.16Å; F17-F67 HydrophobicContact CE2-CZ 4.1Å; F17-F67 HydrophobicContact CZ-CE1 4.29Å; F17-F67 HydrophobicContact CZ-CZ 4.17Å; L52-F67 HydrophobicContact CD1-CD1 3.91Å; L52-F67 HydrophobicContact CD1-CE1 3.71Å; A55-F67 HydrophobicContact CB-CD1 4.42Å; A55-F67 HydrophobicContact CB-CD2 4.49Å; A55-F67 HydrophobicContact CB-CE1 3.9Å; A55-F67 HydrophobicContact CB-CE2 3.99Å; A55-F67 HydrophobicContact CB-CZ 3.66Å; F67-I69 HydrophobicContact CD1-CG1 4.19Å; F67-I69 HydrophobicContact CE1-CG1 4.41Å; F67-I111 HydrophobicContact CB-CG2 4.28Å; F67-R112 PolarHBondContact N-O 2.79Å; F67-L113 HydrophobicContact CB-CD2 4.01Å; F67-L113 HydrophobicContact CD1-CD2 4.3Å; F67-V114 PolarHBondContact O-N 2.79Å; F67-V114 VanDerWaalsContact O-N 3.12Å
68	R	96	Very high	94.8	Very high	47 Å²	47	42.2 Å²	42.2	18%	0.177	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.5	172.3	-176.6	-174.9	-70.5	176.2	-4.2	109.6	L6 C8 V114 H243	L6-R68 PolarHBondContact O-N 3.43Å; C8-R68 PolarHBondContact N-O 3.43Å; C8-R68 PolarHBondContact SG-O 3.32Å; C8-R68 VanDerWaalsContact SG-O 3.32Å; R68-V114 CarbonylContact C-O 3.56Å; R68-V114 VanDerWaalsContact CA-O 3.28Å; R68-V114 WeakPolarHBondContact CA-O 3.35Å; R68-V114 HydrophobicContact CB-CG2 3.82Å; R68-V114 HydrophobicContact CG-CG2 4.13Å; R68-H243 PolarHBondContact NH2-CE1 3.15Å; R68-H243 PolarHBondContact NH2-ND1 2.72Å; R68-H243 VanDerWaalsContact NH2-ND1 3.18Å
69	I	96.3	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.8	173.9	-53	175.9	0	0	0	108.2	L52 F67 L73 L113 V114 M115 V148	L52-I69 HydrophobicContact CD1-CD1 4.16Å; L52-I69 HydrophobicContact CD1-CG1 3.89Å; L52-I69 HydrophobicContact CD2-CD1 4.06Å; F67-I69 HydrophobicContact CD1-CG1 4.19Å; F67-I69 HydrophobicContact CE1-CG1 4.41Å; I69-L73 HydrophobicContact CG2-CB 4.47Å; I69-L73 HydrophobicContact CG2-CD1 4.34Å; I69-L73 HydrophobicContact CG2-CD2 4.19Å; I69-L113 HydrophobicContact CD1-CB 4.15Å; I69-L113 HydrophobicContact CD1-CD1 4.24Å; I69-L113 HydrophobicContact CD1-CD2 4.47Å; I69-L113 HydrophobicContact CG1-CD2 4.47Å; I69-V114 PolarHBondContact N-O 3.25Å; I69-M115 HydrophobicContact CB-CE 4.36Å; I69-M115 HydrophobicContact CB-CG 4.2Å; I69-M115 HydrophobicContact CG2-CE 4.09Å; I69-V148 HydrophobicContact CD1-CG2 3.64Å
70	G	93.1	Very high	94.7	Very high	24 Å²	24	47.3 Å²	47.3	25%	0.247	26%	0.264	C	S	.	.			trans	-76	144.3	176.4	0	0	0	0	0	112	R72 L73	G70-R72 PolarHBondContact O-N 3.13Å; G70-L73 PolarHBondContact O-N 3.49Å
71	S	92.2	Very high	94.8	Very high	23 Å²	23	51.6 Å²	51.6	16%	0.161	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.2	-19.4	-179.6	-52	0	0	0	0	114.6	L73 H116 P117 Y140 H141	S71-L73 PolarHBondContact O-N 2.87Å; S71-H116 PolarHBondContact OG-O 3.3Å; S71-P117 WeakPolarHBondContact OG-CA 3.29Å; S71-Y140 WeakPolarHBondContact O-CE1 3.49Å; S71-Y140 PolarHBondContact O-OH 3.35Å; S71-H141 VanDerWaalsContact CB-NE2 3.34Å; S71-H141 WeakPolarHBondContact CB-NE2 3.48Å; S71-H141 PolarHBondContact OG-NE2 3.35Å
72	R	90.3	Very high	94.9	Very high	173 Å²	173	44.3 Å²	44.3	65%	0.653	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-85.1	16	-178.7	-60	-178.1	-178	169.1	0.8	114.1	N48 G70 F74	N48-R72 PolarHBondContact ND2-O 2.85Å; G70-R72 PolarHBondContact O-N 3.13Å; R72-F74 PolarHBondContact O-N 2.85Å
73	L	95.6	Very high	95	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-54.1	-41.7	174.1	-164.4	75.6	0	0	0	110.4	F17 N48 I69 G70 S71 L99 I144	F17-L73 HydrophobicContact CD1-CD1 4.12Å; F17-L73 HydrophobicContact CE1-CD1 4.02Å; N48-L73 HydrophobicContact CB-CD1 3.93Å; N48-L73 HydrophobicContact CB-CG 4.46Å; N48-L73 PolarHBondContact ND2-O 2.82Å; I69-L73 HydrophobicContact CG2-CB 4.47Å; I69-L73 HydrophobicContact CG2-CD1 4.34Å; I69-L73 HydrophobicContact CG2-CD2 4.19Å; G70-L73 PolarHBondContact O-N 3.49Å; S71-L73 PolarHBondContact O-N 2.87Å; L73-L99 HydrophobicContact CD2-CD2 3.85Å; L73-I144 HydrophobicContact CD2-CD1 4.41Å; L73-I144 HydrophobicContact CD2-CG2 3.54Å
74	F	97.2	Very high	95.2	Very high	5 Å²	5	36.8 Å²	36.8	2%	0.022	20%	0.202	C	C	.	.	S	Bend	trans	-117	93.6	170.4	-69	-126.4	0	0	0	108.9	V45 R72 C76 Y77 Y84 L86 L89 V95 L99 Y140 I144	V45-F74 HydrophobicContact CG1-CD1 3.81Å; V45-F74 HydrophobicContact CG1-CD2 4.07Å; V45-F74 HydrophobicContact CG1-CE1 3.44Å; V45-F74 VanDerWaalsContact CG1-CE1 3.44Å; V45-F74 HydrophobicContact CG1-CE2 3.68Å; V45-F74 HydrophobicContact CG1-CG 4.11Å; V45-F74 HydrophobicContact CG1-CZ 3.36Å; V45-F74 HydrophobicContact CG2-CB 4.37Å; V45-F74 HydrophobicContact CG2-CD1 3.94Å; V45-F74 HydrophobicContact CG2-CE1 4.37Å; V45-F74 HydrophobicContact CG2-CG 4.06Å; R72-F74 PolarHBondContact O-N 2.85Å; F74-C76 PolarHBondContact O-N 2.98Å; F74-Y77 HydrophobicContact CB-CD2 3.99Å; F74-Y77 HydrophobicContact CB-CG 4.36Å; F74-Y77 AromaticContact CD1-CD2 3.88Å; F74-Y77 HydrophobicContact CD1-CD2 3.88Å; F74-Y77 HydrophobicContact CD1-CE2 4.11Å; F74-Y77 HydrophobicContact CG-CD2 4.36Å; F74-Y84 HydrophobicContact CD1-CE2 4.28Å; F74-L86 HydrophobicContact CE1-CD1 3.73Å; F74-L86 HydrophobicContact CZ-CD1 4.1Å; F74-L89 HydrophobicContact CD1-CD1 4.48Å; F74-L89 HydrophobicContact CE1-CD1 4.17Å; F74-V95 HydrophobicContact CE1-CG1 4.3Å; F74-V95 HydrophobicContact CZ-CG1 3.71Å; F74-L99 HydrophobicContact CE2-CD1 3.78Å; F74-L99 HydrophobicContact CZ-CD1 3.71Å; F74-Y140 HydrophobicContact CB-CE2 3.59Å; F74-Y140 HydrophobicContact CD2-CE2 4.2Å; F74-Y140 AromaticContact CG-CE2 3.95Å; F74-Y140 HydrophobicContact CG-CE2 3.95Å; F74-Y140 PolarHBondContact N-OH 3.42Å; F74-I144 HydrophobicContact CD2-CD1 3.44Å; F74-I144 VanDerWaalsContact CD2-CD1 3.44Å; F74-I144 HydrophobicContact CD2-CG1 4.3Å; F74-I144 HydrophobicContact CE1-CD1 4.36Å; F74-I144 HydrophobicContact CE2-CD1 3.22Å; F74-I144 HydrophobicContact CE2-CG1 4.43Å; F74-I144 HydrophobicContact CG-CD1 4.16Å; F74-I144 HydrophobicContact CZ-CD1 3.72Å
75	P	96.8	Very high	95.5	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.019	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	137.2	-173.7	27.8	-35.2	0	0	0	111.3	T20 I44 Y77 Y84	T20-P75 HydrophobicContact CG2-CB 4.09Å; T20-P75 HydrophobicContact CG2-CG 4.05Å; I44-P75 HydrophobicContact CG2-CG 3.81Å; P75-Y77 PolarHBondContact O-N 3.42Å; P75-Y84 WeakPolarHBondContact O-CE1 3.45Å; P75-Y84 PolarHBondContact O-OH 3.34Å
76	C	96.4	Very high	95.6	Very high	32 Å²	32	37.5 Å²	37.5	22%	0.216	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	18.8	177	-57.5	0	0	0	0	115.7	L25 F74 T78 H79 V82 G83	L25-C76 HydrophobicContact CD1-CB 3.9Å; F74-C76 PolarHBondContact O-N 2.98Å; C76-T78 VanDerWaalsContact C-N 3.34Å; C76-T78 PolarHBondContact O-N 3.49Å; C76-H79 HydrophobicContact CB-CB 4.22Å; C76-H79 WeakPolarHBondContact O-CB 3.4Å; C76-H79 PolarHBondContact O-N 3.18Å; C76-H79 VanDerWaalsContact O-N 3.09Å; C76-V82 HydrophobicContact CB-CG2 3.93Å; C76-G83 WeakPolarHBondContact O-CA 3.48Å
77	Y	97.5	Very high	95.8	Very high	28 Å²	28	42.8 Å²	42.8	11%	0.11	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-47.6	-174.2	-172.1	-94.8	0	0	0	113.8	F74 P75 G83 Y84 L86 Y140	F74-Y77 HydrophobicContact CB-CD2 3.99Å; F74-Y77 HydrophobicContact CB-CG 4.36Å; F74-Y77 AromaticContact CD1-CD2 3.88Å; F74-Y77 HydrophobicContact CD1-CD2 3.88Å; F74-Y77 HydrophobicContact CD1-CE2 4.11Å; F74-Y77 HydrophobicContact CG-CD2 4.36Å; P75-Y77 PolarHBondContact O-N 3.42Å; Y77-G83 WeakPolarHBondContact O-CA 3.3Å; Y77-Y84 AromaticContact CD2-CD2 3.98Å; Y77-Y84 HydrophobicContact CD2-CD2 3.98Å; Y77-Y84 AromaticContact CD2-CE2 3.6Å; Y77-Y84 HydrophobicContact CD2-CE2 3.6Å; Y77-Y84 AromaticContact CD2-CZ 3.98Å; Y77-Y84 WeakPolarHBondContact CD2-O 3.48Å; Y77-Y84 HydrophobicContact CE2-CD2 4.26Å; Y77-Y84 HydrophobicContact CE2-CE2 4.19Å; Y77-Y84 VanDerWaalsContact CE2-O 3.24Å; Y77-Y84 WeakPolarHBondContact CE2-O 3.41Å; Y77-Y84 PolarHBondContact O-N 3.41Å; Y77-Y84 VanDerWaalsContact O-N 3.13Å; Y77-L86 PolarHBondContact OH-N 3.29Å; Y77-Y140 AromaticContact CD1-CD2 3.49Å; Y77-Y140 HydrophobicContact CD1-CD2 3.49Å; Y77-Y140 VanDerWaalsContact CD1-CD2 3.49Å; Y77-Y140 HydrophobicContact CD1-CE2 4.4Å; Y77-Y140 AromaticContact CD1-CG 3.71Å; Y77-Y140 HydrophobicContact CD1-CG 3.71Å; Y77-Y140 HydrophobicContact CD2-CD2 4.27Å; Y77-Y140 AromaticContact CE1-CD2 3.92Å; Y77-Y140 HydrophobicContact CE1-CD2 3.92Å; Y77-Y140 HydrophobicContact CE1-CG 4.29Å; Y77-Y140 AromaticContact CG-CD2 3.69Å; Y77-Y140 HydrophobicContact CG-CD2 3.69Å; Y77-Y140 HydrophobicContact CG-CE2 4.15Å; Y77-Y140 HydrophobicContact CG-CG 4.18Å
78	T	96.5	Very high	95.9	Very high	42 Å²	42	46.4 Å²	46.4	26%	0.258	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	1.4	-176.8	69.5	0	0	0	0	114.2	C76 A136 E137 Y140	C76-T78 VanDerWaalsContact C-N 3.34Å; C76-T78 PolarHBondContact O-N 3.49Å; T78-A136 HydrophobicContact CG2-CB 4.28Å; T78-A136 WeakPolarHBondContact CG2-O 3.48Å; T78-E137 WeakPolarHBondContact CB-OE1 3.29Å; T78-E137 HydrophobicContact CG2-CG 4.23Å; T78-E137 VanDerWaalsContact CG2-OE1 3.27Å; T78-E137 WeakPolarHBondContact CG2-OE1 3.09Å; T78-E137 PolarHBondContact OG1-OE1 3.05Å; T78-Y140 HydrophobicContact CG2-CG 4.47Å
79	H	95.6	Very high	96	Very high	60 Å²	60	44.3 Å²	44.3	28%	0.278	24%	0.239	S	C	.	.			trans	-69.1	130	-168.3	-173.1	-84.1	0	0	0	111.3	V22 C76 L81 V82 G83	V22-H79 HydrophobicContact CG2-CB 4.49Å; C76-H79 HydrophobicContact CB-CB 4.22Å; C76-H79 WeakPolarHBondContact O-CB 3.4Å; C76-H79 PolarHBondContact O-N 3.18Å; C76-H79 VanDerWaalsContact O-N 3.09Å; H79-L81 PolarHBondContact ND1-N 3.45Å; H79-L81 PolarHBondContact O-N 3.44Å; H79-V82 HydrophobicContact CB-CG2 3.98Å; H79-V82 PolarHBondContact O-N 2.95Å; H79-V82 VanDerWaalsContact O-N 3.14Å; H79-G83 VanDerWaalsContact O-CA 3.29Å; H79-G83 WeakPolarHBondContact O-CA 3.46Å; H79-G83 PolarHBondContact O-N 2.88Å
80	P	94.2	Very high	96	Very high	101 Å²	101	47.7 Å²	47.7	66%	0.656	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.6	-171.4	-28.8	34.6	0	0	0	116.2
81	L	95.6	Very high	96.2	Very high	123 Å²	123	49 Å²	49	64%	0.644	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-28.6	-178.3	-60.7	179.4	0	0	0	114.5	H79	H79-L81 PolarHBondContact ND1-N 3.45Å; H79-L81 PolarHBondContact O-N 3.44Å
82	V	97.4	Very high	96.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.4	6.3	-167.8	-59.6	0	0	0	0	114.3	V22 L25 T26 R37 C76 H79	V22-V82 HydrophobicContact CB-CG2 4.31Å; V22-V82 HydrophobicContact CG1-CG1 4.23Å; V22-V82 HydrophobicContact CG1-CG2 4.01Å; V22-V82 HydrophobicContact CG2-CG2 4.1Å; L25-V82 HydrophobicContact CB-CB 4.03Å; L25-V82 HydrophobicContact CB-CG1 3.97Å; L25-V82 HydrophobicContact CB-CG2 4.27Å; L25-V82 HydrophobicContact CD1-CB 4.22Å; L25-V82 HydrophobicContact CD1-CG2 3.95Å; T26-V82 WeakPolarHBondContact OG1-CG1 3.4Å; R37-V82 VanDerWaalsContact NH1-CA 3.32Å; C76-V82 HydrophobicContact CB-CG2 3.93Å; H79-V82 HydrophobicContact CB-CG2 3.98Å; H79-V82 PolarHBondContact O-N 2.95Å; H79-V82 VanDerWaalsContact O-N 3.14Å
83	G	97.1	Very high	96.8	Very high	26 Å²	26	48 Å²	48	27%	0.268	26%	0.264	S	S	.	.			trans	-62.8	163.5	177.3	0	0	0	0	0	112.1	C76 Y77 H79	C76-G83 WeakPolarHBondContact O-CA 3.48Å; Y77-G83 WeakPolarHBondContact O-CA 3.3Å; H79-G83 VanDerWaalsContact O-CA 3.29Å; H79-G83 WeakPolarHBondContact O-CA 3.46Å; H79-G83 PolarHBondContact O-N 2.88Å
84	Y	97.9	Very high	96.9	Very high	12 Å²	12	50.6 Å²	50.6	5%	0.047	28%	0.281	C	S	.	.			trans	-160.7	162.6	-173.4	56.2	-82.8	0	0	0	108.2	L38 V41 F74 P75 Y77 L89	L38-Y84 HydrophobicContact CD2-CG 4.33Å; V41-Y84 HydrophobicContact CG1-CD1 4.26Å; V41-Y84 HydrophobicContact CG1-CD2 4.45Å; V41-Y84 HydrophobicContact CG1-CE1 3.54Å; V41-Y84 HydrophobicContact CG1-CE2 3.73Å; V41-Y84 VanDerWaalsContact CG1-OH 3.23Å; V41-Y84 WeakPolarHBondContact CG1-OH 3.48Å; F74-Y84 HydrophobicContact CD1-CE2 4.28Å; P75-Y84 WeakPolarHBondContact O-CE1 3.45Å; P75-Y84 PolarHBondContact O-OH 3.34Å; Y77-Y84 AromaticContact CD2-CD2 3.98Å; Y77-Y84 HydrophobicContact CD2-CD2 3.98Å; Y77-Y84 AromaticContact CD2-CE2 3.6Å; Y77-Y84 HydrophobicContact CD2-CE2 3.6Å; Y77-Y84 AromaticContact CD2-CZ 3.98Å; Y77-Y84 WeakPolarHBondContact CD2-O 3.48Å; Y77-Y84 HydrophobicContact CE2-CD2 4.26Å; Y77-Y84 HydrophobicContact CE2-CE2 4.19Å; Y77-Y84 VanDerWaalsContact CE2-O 3.24Å; Y77-Y84 WeakPolarHBondContact CE2-O 3.41Å; Y77-Y84 PolarHBondContact O-N 3.41Å; Y77-Y84 VanDerWaalsContact O-N 3.13Å; Y84-L89 HydrophobicContact CD2-CD2 3.63Å; Y84-L89 HydrophobicContact CD2-CG 4.11Å; Y84-L89 HydrophobicContact CE2-CD1 4.18Å; Y84-L89 HydrophobicContact CE2-CD2 3.76Å; Y84-L89 HydrophobicContact CE2-CG 4.23Å; Y84-L89 HydrophobicContact CG-CD2 4.48Å
85	T	97.2	Very high	96.9	Very high	58 Å²	58	50.4 Å²	50.4	36%	0.356	28%	0.279	S	S	.	.			trans	-100.7	163.3	171.6	66.2	0	0	0	0	110	Q87 D88	T85-Q87 PolarHBondContact O-N 2.94Å; T85-Q87 PolarHBondContact OG1-OE1 3.19Å; T85-D88 PolarHBondContact N-OD2 3.03Å; T85-D88 WeakPolarHBondContact O-CB 3.33Å; T85-D88 PolarHBondContact O-N 3.46Å; T85-D88 VanDerWaalsContact O-N 3.12Å; T85-D88 PolarHBondContact OG1-N 2.86Å; T85-D88 PolarHBondContact OG1-OD2 3.26Å
86	L	96.1	Very high	97	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.047	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56.2	-33.8	173.2	177.4	61.1	0	0	0	111.7	F74 Y77 D88 L89 N92 V95 I96 L147	F74-L86 HydrophobicContact CE1-CD1 3.73Å; F74-L86 HydrophobicContact CZ-CD1 4.1Å; Y77-L86 PolarHBondContact OH-N 3.29Å; L86-D88 VanDerWaalsContact C-N 3.31Å; L86-D88 PolarHBondContact O-N 3.14Å; L86-L89 HydrophobicContact CD1-CD1 4.39Å; L86-L89 PolarHBondContact O-N 3.36Å; L86-N92 WeakPolarHBondContact O-CB 3.04Å; L86-V95 HydrophobicContact CD1-CG1 3.93Å; L86-I96 HydrophobicContact CD1-CG1 4.25Å; L86-I96 HydrophobicContact CD2-CD1 3.8Å; L86-I96 HydrophobicContact CD2-CG1 3.64Å; L86-I96 HydrophobicContact CG-CD1 4.2Å; L86-I96 HydrophobicContact CG-CG1 4.22Å; L86-L147 HydrophobicContact CD2-CD1 3.93Å
87	Q	97.2	Very high	97.1	Very high	131 Å²	131	54.7 Å²	54.7	61%	0.612	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-68.2	-29.2	179.9	-67.5	72.5	19.9	0	0	112.7	T85 L89 N92	T85-Q87 PolarHBondContact O-N 2.94Å; T85-Q87 PolarHBondContact OG1-OE1 3.19Å; Q87-L89 PolarHBondContact O-N 3.08Å; Q87-N92 PolarHBondContact O-ND2 3.2Å; Q87-N92 VanDerWaalsContact O-ND2 3.08Å
88	D	97.5	Very high	97.1	Very high	76 Å²	76	55.6 Å²	55.6	41%	0.406	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-70.8	-17	179.4	-61.2	-42.7	0	0	0	113.1	L38 T85 L86	L38-D88 HydrophobicContact CD1-CB 4.2Å; L38-D88 HydrophobicContact CD2-CB 3.97Å; T85-D88 PolarHBondContact N-OD2 3.03Å; T85-D88 WeakPolarHBondContact O-CB 3.33Å; T85-D88 PolarHBondContact O-N 3.46Å; T85-D88 VanDerWaalsContact O-N 3.12Å; T85-D88 PolarHBondContact OG1-N 2.86Å; T85-D88 PolarHBondContact OG1-OD2 3.26Å; L86-D88 VanDerWaalsContact C-N 3.31Å; L86-D88 PolarHBondContact O-N 3.14Å
89	L	97.9	Very high	97.2	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	29%	0.289	C	S	.	.	S	Bend	trans	-77.5	128.4	-177.5	-60.1	-176	0	0	0	111.4	V41 V45 F74 Y84 L86 Q87 N91 N92	V41-L89 HydrophobicContact CG1-CD2 4.11Å; V45-L89 HydrophobicContact CB-CD1 4.13Å; V45-L89 HydrophobicContact CG1-CD1 3.99Å; V45-L89 HydrophobicContact CG2-CD1 4.06Å; F74-L89 HydrophobicContact CD1-CD1 4.48Å; F74-L89 HydrophobicContact CE1-CD1 4.17Å; Y84-L89 HydrophobicContact CD2-CD2 3.63Å; Y84-L89 HydrophobicContact CD2-CG 4.11Å; Y84-L89 HydrophobicContact CE2-CD1 4.18Å; Y84-L89 HydrophobicContact CE2-CD2 3.76Å; Y84-L89 HydrophobicContact CE2-CG 4.23Å; Y84-L89 HydrophobicContact CG-CD2 4.48Å; L86-L89 HydrophobicContact CD1-CD1 4.39Å; L86-L89 PolarHBondContact O-N 3.36Å; Q87-L89 PolarHBondContact O-N 3.08Å; L89-N91 VanDerWaalsContact C-N 3.26Å; L89-N91 PolarHBondContact O-N 3.23Å; L89-N92 HydrophobicContact CB-CB 4.28Å; L89-N92 WeakPolarHBondContact O-CB 3.48Å; L89-N92 PolarHBondContact O-N 2.95Å; L89-N92 PolarHBondContact O-ND2 3.32Å
90	P	97.6	Very high	97.3	Very high	71 Å²	71	56.3 Å²	56.3	46%	0.461	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.5	176.2	-29.6	36	0	0	0	114.3
91	N	95.5	Very high	97.5	Very high	53 Å²	53	53.9 Å²	53.9	28%	0.283	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	24.6	177	-57.7	-68	0	0	0	113.8	S42 L89 Q93 T94 V95	S42-N91 VanDerWaalsContact OG-CB 3.31Å; S42-N91 WeakPolarHBondContact OG-CB 3.35Å; S42-N91 PolarHBondContact OG-N 2.99Å; S42-N91 VanDerWaalsContact OG-N 3.17Å; S42-N91 PolarHBondContact OG-ND2 3.3Å; S42-N91 VanDerWaalsContact OG-ND2 3.12Å; L89-N91 VanDerWaalsContact C-N 3.26Å; L89-N91 PolarHBondContact O-N 3.23Å; N91-Q93 VanDerWaalsContact C-N 3.28Å; N91-Q93 PolarHBondContact O-N 3.09Å; N91-T94 PolarHBondContact O-N 3Å; N91-V95 WeakPolarHBondContact O-CG2 3.49Å; N91-V95 PolarHBondContact O-N 2.96Å
92	N	97.2	Very high	97.6	Very high	50 Å²	50	48 Å²	48	27%	0.267	25%	0.249	S	C	.	.	H	α-helix	trans	-51.8	-42.9	-172.7	61.5	34.9	0	0	0	113.6	L86 Q87 L89 V95 I96	L86-N92 WeakPolarHBondContact O-CB 3.04Å; Q87-N92 PolarHBondContact O-ND2 3.2Å; Q87-N92 VanDerWaalsContact O-ND2 3.08Å; L89-N92 HydrophobicContact CB-CB 4.28Å; L89-N92 WeakPolarHBondContact O-CB 3.48Å; L89-N92 PolarHBondContact O-N 2.95Å; L89-N92 PolarHBondContact O-ND2 3.32Å; N92-V95 PolarHBondContact O-N 3.3Å; N92-I96 WeakPolarHBondContact O-CB 3.24Å; N92-I96 VanDerWaalsContact O-CG1 3.26Å; N92-I96 WeakPolarHBondContact O-CG1 3.44Å; N92-I96 PolarHBondContact O-N 2.65Å
93	Q	98.1	Very high	97.7	Very high	124 Å²	124	48 Å²	48	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-65.8	-46.9	-177.4	-174.7	59.4	41.4	0	0	111.2	N91 V95 I96 E97	N91-Q93 VanDerWaalsContact C-N 3.28Å; N91-Q93 PolarHBondContact O-N 3.09Å; Q93-V95 VanDerWaalsContact C-N 3.34Å; Q93-V95 PolarHBondContact O-N 2.83Å; Q93-I96 PolarHBondContact O-N 3.13Å; Q93-E97 WeakPolarHBondContact O-CB 3.45Å; Q93-E97 PolarHBondContact O-N 3.25Å
94	T	98.1	Very high	97.7	Very high	57 Å²	57	50.1 Å²	50.1	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-63.8	-40.5	176.2	-49.2	0	0	0	0	111.1	L46 N91 E97 K98	L46-T94 HydrophobicContact CD1-CG2 3.81Å; N91-T94 PolarHBondContact O-N 3Å; T94-E97 PolarHBondContact O-N 3.41Å; T94-K98 HydrophobicContact CG2-CG 4.42Å; T94-K98 WeakPolarHBondContact O-CB 3.29Å; T94-K98 WeakPolarHBondContact O-CG 3.46Å; T94-K98 PolarHBondContact O-N 3.42Å
95	V	98	Very high	97.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-48.8	175.2	166.4	0	0	0	0	110.8	V45 L46 F74 L86 N91 N92 Q93 E97 K98 L99	V45-V95 HydrophobicContact CG1-CB 4.38Å; V45-V95 HydrophobicContact CG1-CG1 3.54Å; V45-V95 HydrophobicContact CG1-CG2 3.88Å; L46-V95 HydrophobicContact CB-CG2 4.07Å; L46-V95 HydrophobicContact CD1-CG2 4.34Å; F74-V95 HydrophobicContact CE1-CG1 4.3Å; F74-V95 HydrophobicContact CZ-CG1 3.71Å; L86-V95 HydrophobicContact CD1-CG1 3.93Å; N91-V95 WeakPolarHBondContact O-CG2 3.49Å; N91-V95 PolarHBondContact O-N 2.96Å; N92-V95 PolarHBondContact O-N 3.3Å; Q93-V95 VanDerWaalsContact C-N 3.34Å; Q93-V95 PolarHBondContact O-N 2.83Å; V95-E97 VanDerWaalsContact C-N 3.35Å; V95-E97 PolarHBondContact O-N 2.79Å; V95-K98 PolarHBondContact O-N 2.87Å; V95-L99 HydrophobicContact CG1-CD1 3.82Å; V95-L99 HydrophobicContact CG1-CG 4.5Å; V95-L99 VanDerWaalsContact O-CG 3.32Å; V95-L99 WeakPolarHBondContact O-CG 3.34Å; V95-L99 PolarHBondContact O-N 3.37Å
96	I	98.3	Very high	97.6	Very high	33 Å²	33	49.9 Å²	49.9	17%	0.169	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-47.5	177.7	-73	163.7	0	0	0	110.7	L86 N92 Q93 L99 K100 L147	L86-I96 HydrophobicContact CD1-CG1 4.25Å; L86-I96 HydrophobicContact CD2-CD1 3.8Å; L86-I96 HydrophobicContact CD2-CG1 3.64Å; L86-I96 HydrophobicContact CG-CD1 4.2Å; L86-I96 HydrophobicContact CG-CG1 4.22Å; N92-I96 WeakPolarHBondContact O-CB 3.24Å; N92-I96 VanDerWaalsContact O-CG1 3.26Å; N92-I96 WeakPolarHBondContact O-CG1 3.44Å; N92-I96 PolarHBondContact O-N 2.65Å; Q93-I96 PolarHBondContact O-N 3.13Å; I96-L99 PolarHBondContact O-N 2.94Å; I96-K100 HydrophobicContact CG2-CD 4.03Å; I96-K100 WeakPolarHBondContact O-CB 3.22Å; I96-K100 WeakPolarHBondContact O-CG 3.35Å; I96-K100 PolarHBondContact O-N 3.37Å; I96-L147 HydrophobicContact CG1-CD2 4.33Å; I96-L147 HydrophobicContact CG2-CD2 4.03Å
97	E	98.3	Very high	97.6	Very high	92 Å²	92	52.7 Å²	52.7	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-57.4	-50.2	177.8	-176.6	-175.5	161.5	0	0	111.2	Q93 T94 V95 L99 K100 E101	Q93-E97 WeakPolarHBondContact O-CB 3.45Å; Q93-E97 PolarHBondContact O-N 3.25Å; T94-E97 PolarHBondContact O-N 3.41Å; V95-E97 VanDerWaalsContact C-N 3.35Å; V95-E97 PolarHBondContact O-N 2.79Å; E97-L99 VanDerWaalsContact C-N 3.35Å; E97-L99 PolarHBondContact O-N 3.03Å; E97-K100 PolarHBondContact O-N 3.32Å; E97-E101 WeakPolarHBondContact O-CG 3.24Å; E97-E101 PolarHBondContact O-N 3.43Å
98	K	98.2	Very high	97.6	Very high	47 Å²	47	53.5 Å²	53.5	20%	0.204	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-33	-179.2	-65.3	-44.9	178.1	-163.5	0	113.7	L46 A49 L50 Q53 T94 V95 E101 A102	L46-K98 HydrophobicContact CD1-CG 4.21Å; A49-K98 HydrophobicContact CB-CB 3.94Å; L50-K98 HydrophobicContact CD2-CD 4.1Å; L50-K98 HydrophobicContact CD2-CG 4.02Å; Q53-K98 PolarHBondContact NE2-O 3.25Å; T94-K98 HydrophobicContact CG2-CG 4.42Å; T94-K98 WeakPolarHBondContact O-CB 3.29Å; T94-K98 WeakPolarHBondContact O-CG 3.46Å; T94-K98 PolarHBondContact O-N 3.42Å; V95-K98 PolarHBondContact O-N 2.87Å; K98-E101 WeakPolarHBondContact CD-OE2 3.35Å; K98-E101 IonicContact NZ-OE1 2.78Å; K98-E101 PolarHBondContact NZ-OE1 3.03Å; K98-E101 IonicContact NZ-OE2 2.85Å; K98-E101 PolarHBondContact NZ-OE2 2.8Å; K98-A102 WeakPolarHBondContact O-CB 3.38Å; K98-A102 PolarHBondContact O-N 3.48Å
99	L	98.3	Very high	97.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-70.7	-41.4	173.5	-69.5	170.6	0	0	0	112	A49 L52 L73 F74 V95 I96 E97 A102 G103 L147 V148	A49-L99 HydrophobicContact CB-CD2 3.8Å; A49-L99 HydrophobicContact CB-CG 3.96Å; L52-L99 HydrophobicContact CD2-CD2 4.14Å; L73-L99 HydrophobicContact CD2-CD2 3.85Å; F74-L99 HydrophobicContact CE2-CD1 3.78Å; F74-L99 HydrophobicContact CZ-CD1 3.71Å; V95-L99 HydrophobicContact CG1-CD1 3.82Å; V95-L99 HydrophobicContact CG1-CG 4.5Å; V95-L99 VanDerWaalsContact O-CG 3.32Å; V95-L99 WeakPolarHBondContact O-CG 3.34Å; V95-L99 PolarHBondContact O-N 3.37Å; I96-L99 PolarHBondContact O-N 2.94Å; E97-L99 VanDerWaalsContact C-N 3.35Å; E97-L99 PolarHBondContact O-N 3.03Å; L99-A102 WeakPolarHBondContact O-CB 3.32Å; L99-A102 PolarHBondContact O-N 3.04Å; L99-G103 PolarHBondContact O-N 3.33Å; L99-L147 CarbonylContact C-O 3.59Å; L99-L147 HydrophobicContact CB-CB 4.03Å; L99-L147 HydrophobicContact CD1-CB 4.46Å; L99-L147 HydrophobicContact CD1-CD1 3.8Å; L99-V148 HydrophobicContact CB-CG1 3.96Å; L99-V148 HydrophobicContact CD2-CG1 3.88Å; L99-V148 HydrophobicContact CG-CG1 4.47Å
100	K	98.4	Very high	97.5	Very high	117 Å²	117	58.4 Å²	58.4	51%	0.509	31%	0.307	S	S	.	.	H	α-helix	trans	-64.9	-39.2	174.9	-74.2	-179.3	175.3	-177.7	0	112.6	I96 E97 A102 G103 S104 L147	I96-K100 HydrophobicContact CG2-CD 4.03Å; I96-K100 WeakPolarHBondContact O-CB 3.22Å; I96-K100 WeakPolarHBondContact O-CG 3.35Å; I96-K100 PolarHBondContact O-N 3.37Å; E97-K100 PolarHBondContact O-N 3.32Å; K100-A102 VanDerWaalsContact C-N 3.33Å; K100-G103 PolarHBondContact O-N 3.23Å; K100-S104 WeakPolarHBondContact O-CB 3.32Å; K100-S104 PolarHBondContact O-N 3.08Å; K100-S104 PolarHBondContact O-OG 2.92Å; K100-L147 WeakPolarHBondContact CA-O 3.41Å; K100-L147 HydrophobicContact CG-CD2 4.48Å
101	E	98	Very high	97.4	Very high	51 Å²	51	55.4 Å²	55.4	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-44.4	170.5	-77.3	175.7	-174.4	0	0	111.2	Q53 E97 K98 G103 S104 F105	Q53-E101 PolarHBondContact NE2-OE2 3.43Å; E97-E101 WeakPolarHBondContact O-CG 3.24Å; E97-E101 PolarHBondContact O-N 3.43Å; K98-E101 WeakPolarHBondContact CD-OE2 3.35Å; K98-E101 IonicContact NZ-OE1 2.78Å; K98-E101 PolarHBondContact NZ-OE1 3.03Å; K98-E101 IonicContact NZ-OE2 2.85Å; K98-E101 PolarHBondContact NZ-OE2 2.8Å; E101-G103 PolarHBondContact O-N 3.28Å; E101-S104 WeakPolarHBondContact O-CB 3.39Å; E101-S104 PolarHBondContact O-N 2.89Å; E101-F105 WeakPolarHBondContact O-CG 3.37Å; E101-F105 PolarHBondContact O-N 2.68Å
102	A	97.9	Very high	97.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-48	176.4	0	0	0	0	0	111.3	L52 Q53 I56 K98 L99 K100 S104 F105 A106	L52-A102 HydrophobicContact CD2-CB 4.05Å; L52-A102 HydrophobicContact CG-CB 4.08Å; Q53-A102 HydrophobicContact CG-CB 3.71Å; I56-A102 HydrophobicContact CD1-CB 3.87Å; I56-A102 VanDerWaalsContact CD1-O 3.3Å; I56-A102 WeakPolarHBondContact CD1-O 3.38Å; K98-A102 WeakPolarHBondContact O-CB 3.38Å; K98-A102 PolarHBondContact O-N 3.48Å; L99-A102 WeakPolarHBondContact O-CB 3.32Å; L99-A102 PolarHBondContact O-N 3.04Å; K100-A102 VanDerWaalsContact C-N 3.33Å; A102-S104 VanDerWaalsContact C-N 3.31Å; A102-S104 PolarHBondContact O-N 3.02Å; A102-F105 PolarHBondContact O-N 2.62Å; A102-A106 PolarHBondContact O-N 2.91Å
103	G	98.1	Very high	97.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-38.3	175.2	0	0	0	0	0	113.4	L99 K100 E101 A106 A107 V148	L99-G103 PolarHBondContact O-N 3.33Å; K100-G103 PolarHBondContact O-N 3.23Å; E101-G103 PolarHBondContact O-N 3.28Å; G103-A106 PolarHBondContact O-N 2.97Å; G103-A107 PolarHBondContact O-N 3.43Å; G103-V148 WeakPolarHBondContact CA-O 3.23Å
104	S	97.5	Very high	97.3	Very high	69 Å²	69	48.1 Å²	48.1	48%	0.483	25%	0.249	S	C	.	.	H	α-helix	trans	-66	-39.4	175.8	-58.3	0	0	0	0	112.1	K100 E101 A102 K108	K100-S104 WeakPolarHBondContact O-CB 3.32Å; K100-S104 PolarHBondContact O-N 3.08Å; K100-S104 PolarHBondContact O-OG 2.92Å; E101-S104 WeakPolarHBondContact O-CB 3.39Å; E101-S104 PolarHBondContact O-N 2.89Å; A102-S104 VanDerWaalsContact C-N 3.31Å; A102-S104 PolarHBondContact O-N 3.02Å; S104-K108 VanDerWaalsContact O-CB 3.29Å; S104-K108 WeakPolarHBondContact O-CB 3.43Å; S104-K108 PolarHBondContact O-N 2.87Å
105	F	96.7	Very high	97.2	Very high	62 Å²	62	45.5 Å²	45.5	27%	0.272	23%	0.232	S	C	.	.	H	α-helix	trans	-66	-42.7	173.5	-69.5	-8.8	0	0	0	111.7	Q53 I56 L57 E101 A102 A107 K108 Y109	Q53-F105 HydrophobicContact CB-CD2 4.47Å; I56-F105 HydrophobicContact CG2-CB 4.01Å; L57-F105 HydrophobicContact CD2-CD2 4.36Å; L57-F105 HydrophobicContact CG-CD2 4.48Å; E101-F105 WeakPolarHBondContact O-CG 3.37Å; E101-F105 PolarHBondContact O-N 2.68Å; A102-F105 PolarHBondContact O-N 2.62Å; F105-A107 PolarHBondContact O-N 3.05Å; F105-K108 PolarHBondContact O-N 3.3Å; F105-Y109 HydrophobicContact CB-CD2 4.32Å; F105-Y109 HydrophobicContact CB-CE2 4.39Å; F105-Y109 WeakPolarHBondContact O-CD2 3.45Å; F105-Y109 PolarHBondContact O-N 3.39Å
106	A	97.5	Very high	97.1	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-48.5	176.7	0	0	0	0	0	111.2	I56 A102 G103 Y109 S110 I111 L113	I56-A106 HydrophobicContact CD1-CB 4.14Å; I56-A106 HydrophobicContact CG2-CB 4.17Å; A102-A106 PolarHBondContact O-N 2.91Å; G103-A106 PolarHBondContact O-N 2.97Å; A106-Y109 CarbonylContact O-C 3.57Å; A106-Y109 PolarHBondContact O-N 2.84Å; A106-S110 PolarHBondContact O-N 3.13Å; A106-I111 HydrophobicContact CB-CB 4.37Å; A106-I111 WeakPolarHBondContact CB-O 3.47Å; A106-I111 PolarHBondContact O-N 3.01Å; A106-L113 HydrophobicContact CB-CD1 3.6Å; A106-L113 HydrophobicContact CB-CD2 4.25Å; A106-L113 HydrophobicContact CB-CG 3.75Å
107	A	96.6	Very high	96.9	Very high	69 Å²	69	45.7 Å²	45.7	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-59.2	-48.7	174.6	0	0	0	0	0	112.1	G103 F105 Y109 S110	G103-A107 PolarHBondContact O-N 3.43Å; F105-A107 PolarHBondContact O-N 3.05Å; A107-Y109 VanDerWaalsContact C-N 3.29Å; A107-Y109 PolarHBondContact O-N 2.72Å; A107-S110 PolarHBondContact O-N 2.9Å; A107-S110 VanDerWaalsContact O-N 3.1Å
108	K	97.1	Very high	96.4	Very high	147 Å²	147	45 Å²	45	64%	0.639	23%	0.232	S	C	*	.	H	α-helix	trans	-56.4	-40.8	178.8	179.1	-179.1	178	-177.7	0	112.8	S104 F105	S104-K108 VanDerWaalsContact O-CB 3.29Å; S104-K108 WeakPolarHBondContact O-CB 3.43Å; S104-K108 PolarHBondContact O-N 2.87Å; F105-K108 PolarHBondContact O-N 3.3Å
109	Y	96.1	Very high	95.9	Very high	98 Å²	98	50.1 Å²	50.1	38%	0.384	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	10	-178.8	-63.5	-64.4	0	0	0	113.5	L57 A60 F105 A106 A107 I111	L57-Y109 HydrophobicContact CD2-CD2 4.34Å; L57-Y109 HydrophobicContact CD2-CE2 3.61Å; A60-Y109 HydrophobicContact CB-CD1 3.91Å; A60-Y109 HydrophobicContact CB-CD2 4.14Å; A60-Y109 HydrophobicContact CB-CG 3.66Å; F105-Y109 HydrophobicContact CB-CD2 4.32Å; F105-Y109 HydrophobicContact CB-CE2 4.39Å; F105-Y109 WeakPolarHBondContact O-CD2 3.45Å; F105-Y109 PolarHBondContact O-N 3.39Å; A106-Y109 CarbonylContact O-C 3.57Å; A106-Y109 PolarHBondContact O-N 2.84Å; A107-Y109 VanDerWaalsContact C-N 3.29Å; A107-Y109 PolarHBondContact O-N 2.72Å; Y109-I111 PolarHBondContact O-N 2.9Å
110	S	95.7	Very high	95.6	Very high	83 Å²	83	57.1 Å²	57.1	58%	0.58	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	34.4	-178.8	-57.7	0	0	0	0	114	A106 A107	A106-S110 PolarHBondContact O-N 3.13Å; A107-S110 PolarHBondContact O-N 2.9Å; A107-S110 VanDerWaalsContact O-N 3.1Å
111	I	95.3	Very high	95.5	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.046	27%	0.265	C	S	.	.			trans	-92.4	121	175.9	-62.5	166.2	0	0	0	108.5	I56 C59 A60 G65 F67 A106 Y109 L113	I56-I111 HydrophobicContact CB-CD1 4.46Å; I56-I111 HydrophobicContact CG2-CD1 3.64Å; I56-I111 WeakPolarHBondContact O-CD1 3.5Å; C59-I111 HydrophobicContact CB-CD1 3.81Å; C59-I111 HydrophobicContact CB-CG1 4.46Å; A60-I111 HydrophobicContact CB-CD1 3.89Å; G65-I111 CarbonylContact O-C 3.4Å; G65-I111 WeakPolarHBondContact O-CA 3.36Å; F67-I111 HydrophobicContact CB-CG2 4.28Å; A106-I111 HydrophobicContact CB-CB 4.37Å; A106-I111 WeakPolarHBondContact CB-O 3.47Å; A106-I111 PolarHBondContact O-N 3.01Å; Y109-I111 PolarHBondContact O-N 2.9Å; I111-L113 HydrophobicContact CG2-CD2 4.29Å
112	R	95.9	Very high	95.4	Very high	55 Å²	55	50.4 Å²	50.4	21%	0.208	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.7	172.4	-167.7	177.4	-175.3	-158.7	2	110.4	G65 C66 F67 V114 D151 D241	G65-R112 PolarHBondContact O-N 3.34Å; C66-R112 CarbonylContact C-O 3.51Å; C66-R112 VanDerWaalsContact CA-O 3.25Å; C66-R112 WeakPolarHBondContact CA-O 3.25Å; C66-R112 HydrophobicContact CB-CB 4.34Å; F67-R112 PolarHBondContact N-O 2.79Å; R112-V114 HydrophobicContact CG-CG1 4.12Å; R112-D151 WeakPolarHBondContact CG-OD1 3.34Å; R112-D151 IonicContact CZ-OD1 3.89Å; R112-D151 IonicContact CZ-OD2 2.69Å; R112-D151 VanDerWaalsContact NE-CG 3.33Å; R112-D151 IonicContact NE-OD1 3.63Å; R112-D151 PolarHBondContact NE-OD1 3.19Å; R112-D151 IonicContact NE-OD2 3.7Å; R112-D151 PolarHBondContact NE-OD2 3.32Å; R112-D151 IonicContact NH2-OD1 3.17Å; R112-D151 IonicContact NH2-OD2 3.35Å; R112-D151 PolarHBondContact NH2-OD2 3.33Å; R112-D241 IonicContact CZ-OD1 3.99Å; R112-D241 IonicContact CZ-OD2 3.62Å; R112-D241 IonicContact NH1-OD1 3.81Å; R112-D241 PolarHBondContact NH1-OD1 2.73Å; R112-D241 IonicContact NH1-OD2 3.65Å; R112-D241 PolarHBondContact NH1-OD2 3.28Å; R112-D241 IonicContact NH2-OD1 2.73Å; R112-D241 IonicContact NH2-OD2 2.79Å; R112-D241 PolarHBondContact NH2-OD2 3.45Å
113	L	96.2	Very high	95.4	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.2	175.4	-63.6	-179.4	0	0	0	109.3	I56 F67 I69 A106 I111 V148 A150 D151	I56-L113 HydrophobicContact CD1-CD1 4.11Å; I56-L113 HydrophobicContact CD1-CD2 4.17Å; I56-L113 HydrophobicContact CG1-CD2 4.07Å; F67-L113 HydrophobicContact CB-CD2 4.01Å; F67-L113 HydrophobicContact CD1-CD2 4.3Å; I69-L113 HydrophobicContact CD1-CB 4.15Å; I69-L113 HydrophobicContact CD1-CD1 4.24Å; I69-L113 HydrophobicContact CD1-CD2 4.47Å; I69-L113 HydrophobicContact CG1-CD2 4.47Å; A106-L113 HydrophobicContact CB-CD1 3.6Å; A106-L113 HydrophobicContact CB-CD2 4.25Å; A106-L113 HydrophobicContact CB-CG 3.75Å; I111-L113 HydrophobicContact CG2-CD2 4.29Å; L113-V148 HydrophobicContact CD1-CB 4.02Å; L113-V148 HydrophobicContact CD1-CG2 4Å; L113-V148 WeakPolarHBondContact CD1-O 3.45Å; L113-A150 HydrophobicContact CB-CB 3.89Å; L113-A150 VanDerWaalsContact O-CA 3.29Å; L113-A150 WeakPolarHBondContact O-CA 3.35Å; L113-A150 VanDerWaalsContact O-CB 3.27Å; L113-A150 WeakPolarHBondContact O-CB 3.27Å; L113-D151 PolarHBondContact O-N 2.77Å
114	V	96.4	Very high	95.3	Very high	16 Å²	16	50.4 Å²	50.4	10%	0.097	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158.7	-179.5	-54.2	0	0	0	0	110	F67 R68 I69 R112 V152	F67-V114 PolarHBondContact O-N 2.79Å; F67-V114 VanDerWaalsContact O-N 3.12Å; R68-V114 CarbonylContact C-O 3.56Å; R68-V114 VanDerWaalsContact CA-O 3.28Å; R68-V114 WeakPolarHBondContact CA-O 3.35Å; R68-V114 HydrophobicContact CB-CG2 3.82Å; R68-V114 HydrophobicContact CG-CG2 4.13Å; I69-V114 PolarHBondContact N-O 3.25Å; R112-V114 HydrophobicContact CG-CG1 4.12Å; V114-V152 HydrophobicContact CB-CB 4.02Å; V114-V152 HydrophobicContact CB-CG1 4.34Å; V114-V152 HydrophobicContact CG1-CB 3.86Å; V114-V152 HydrophobicContact CG1-CG1 4.47Å; V114-V152 HydrophobicContact CG1-CG2 4.3Å
115	M	96.7	Very high	95.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.1	174.6	-56.5	-172.7	88.1	0	0	110	I69 H141 I144 V152 N154	I69-M115 HydrophobicContact CB-CE 4.36Å; I69-M115 HydrophobicContact CB-CG 4.2Å; I69-M115 HydrophobicContact CG2-CE 4.09Å; M115-H141 VanDerWaalsContact CE-CD2 3.46Å; M115-H141 WeakPolarHBondContact CE-CD2 3.42Å; M115-H141 HydrophobicContact SD-CB 4.14Å; M115-I144 HydrophobicContact CE-CB 4.01Å; M115-I144 HydrophobicContact CE-CG2 3.72Å; M115-I144 HydrophobicContact SD-CB 4.16Å; M115-I144 HydrophobicContact SD-CG2 4.06Å; M115-V152 PolarHBondContact N-O 2.82Å; M115-N154 PolarHBondContact O-N 3.42Å
116	H	95.4	Very high	95.3	Very high	36 Å²	36	48.1 Å²	48.1	17%	0.167	25%	0.249	C	C	.	.			trans	-139.4	95.7	170.6	-166.9	-32.9	0	0	0	107.3	S71 N154 E189	S71-H116 PolarHBondContact OG-O 3.3Å; H116-N154 WeakPolarHBondContact CA-O 3.46Å; H116-N154 PolarHBondContact CD2-ND2 3.24Å; H116-N154 PolarHBondContact CE1-O 2.7Å; H116-N154 PolarHBondContact ND1-O 2.92Å; H116-N154 PolarHBondContact NE2-ND2 2.99Å; H116-N154 VanDerWaalsContact NE2-ND2 3.11Å; H116-E189 IonicContact CD2-OE2 3.6Å; H116-E189 IonicContact NE2-OE2 3.14Å; H116-E189 PolarHBondContact NE2-OE2 3.43Å
117	P	95.1	Very high	95.2	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.013	27%	0.269	C	S	.	.			trans	-50.9	157.6	171.9	-22.5	30.4	0	0	0	112	S71 V121 L138 I153 N154 I155	S71-P117 WeakPolarHBondContact OG-CA 3.29Å; P117-V121 HydrophobicContact CB-CB 4.13Å; P117-V121 HydrophobicContact CB-CG1 4.47Å; P117-V121 HydrophobicContact CB-CG2 3.64Å; P117-L138 HydrophobicContact CG-CD2 4.12Å; P117-I153 HydrophobicContact CG-CG2 3.75Å; P117-N154 VanDerWaalsContact CD-O 3.27Å; P117-N154 WeakPolarHBondContact CD-O 3.29Å; P117-I155 HydrophobicContact CB-CG2 4.23Å; P117-I155 HydrophobicContact CG-CG2 3.89Å
118	D	88.4	Confident	95.2	Very high	78 Å²	78	51.3 Å²	51.3	42%	0.417	27%	0.268	S	S	.	.			trans	-71.1	169.9	-178.1	70.5	36.3	0	0	0	113	F120 V121	D118-F120 HydrophobicContact CB-CD2 4.48Å; D118-F120 PolarHBondContact O-N 3.35Å; D118-F120 WeakPolarHBondContact OD1-CA 2.84Å; D118-F120 VanDerWaalsContact OD1-CB 3.24Å; D118-F120 WeakPolarHBondContact OD1-CB 3.5Å; D118-F120 VanDerWaalsContact OD1-CD2 3.3Å; D118-F120 WeakPolarHBondContact OD1-CD2 3.27Å; D118-F120 PolarHBondContact OD1-N 3.32Å; D118-V121 PolarHBondContact O-N 2.73Å; D118-V121 VanDerWaalsContact O-N 3.15Å
119	Q	87.9	Confident	95.2	Very high	153 Å²	153	51.8 Å²	51.8	72%	0.715	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-7.9	-178.7	68.5	-174.9	6.9	0	0	114.8	V122	Q119-V122 WeakPolarHBondContact O-CG2 3.41Å
120	F	90.6	Very high	95.2	Very high	147 Å²	147	49.3 Å²	49.3	65%	0.645	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-10.6	178.1	-51.6	-64.2	0	0	0	112.1	D118 V122	D118-F120 HydrophobicContact CB-CD2 4.48Å; D118-F120 PolarHBondContact O-N 3.35Å; D118-F120 WeakPolarHBondContact OD1-CA 2.84Å; D118-F120 VanDerWaalsContact OD1-CB 3.24Å; D118-F120 WeakPolarHBondContact OD1-CB 3.5Å; D118-F120 VanDerWaalsContact OD1-CD2 3.3Å; D118-F120 WeakPolarHBondContact OD1-CD2 3.27Å; D118-F120 PolarHBondContact OD1-N 3.32Å; F120-V122 PolarHBondContact O-N 2.9Å
121	V	95.7	Very high	95.3	Very high	8 Å²	8	45.5 Å²	45.5	5%	0.048	24%	0.239	C	C	.	.			trans	-77	89.7	171.1	-177.1	0	0	0	0	109.2	P117 D118 A134 E137 L138 I155	P117-V121 HydrophobicContact CB-CB 4.13Å; P117-V121 HydrophobicContact CB-CG1 4.47Å; P117-V121 HydrophobicContact CB-CG2 3.64Å; D118-V121 PolarHBondContact O-N 2.73Å; D118-V121 VanDerWaalsContact O-N 3.15Å; V121-A134 HydrophobicContact CG1-CB 4.02Å; V121-E137 HydrophobicContact CG2-CB 3.77Å; V121-E137 HydrophobicContact CG2-CG 4.21Å; V121-L138 HydrophobicContact CG1-CD1 4.06Å; V121-L138 HydrophobicContact CG1-CD2 3.99Å; V121-L138 HydrophobicContact CG1-CG 3.74Å; V121-I155 HydrophobicContact CG1-CG2 4.44Å
122	V	96.5	Very high	95.4	Very high	20 Å²	20	48.7 Å²	48.7	12%	0.121	26%	0.256	C	S	.	.			trans	-119.2	93.4	-174	-173.4	0	0	0	0	111.3	Q119 F120 N124 S125 T130 Y161	Q119-V122 WeakPolarHBondContact O-CG2 3.41Å; F120-V122 PolarHBondContact O-N 2.9Å; V122-N124 VanDerWaalsContact C-N 3.32Å; V122-N124 VanDerWaalsContact CG1-OD1 3.23Å; V122-N124 WeakPolarHBondContact CG1-OD1 3.28Å; V122-N124 PolarHBondContact O-N 3.03Å; V122-S125 PolarHBondContact O-N 2.81Å; V122-T130 HydrophobicContact CB-CG2 4.35Å; V122-Y161 WeakPolarHBondContact CG1-OH 3.29Å
123	L	97.2	Very high	95.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.5	-178.7	-94.5	162.6	0	0	0	113.8	S125 V135 L138 I155 F171 N174 L178	L123-S125 VanDerWaalsContact C-N 3.34Å; L123-V135 HydrophobicContact CD2-CG2 4.3Å; L123-L138 HydrophobicContact CD1-CD1 3.48Å; L123-L138 VanDerWaalsContact CD1-CD1 3.48Å; L123-L138 HydrophobicContact CD2-CD1 4.47Å; L123-L138 HydrophobicContact CG-CD1 3.97Å; L123-I155 HydrophobicContact CD1-CD1 3.73Å; L123-F171 HydrophobicContact CB-CD2 3.95Å; L123-F171 HydrophobicContact CB-CE2 3.81Å; L123-F171 HydrophobicContact CB-CZ 4.38Å; L123-F171 HydrophobicContact CD1-CE2 4.13Å; L123-F171 HydrophobicContact CD1-CZ 3.92Å; L123-N174 HydrophobicContact CD2-CB 3.79Å; L123-N174 VanDerWaalsContact O-CB 3.31Å; L123-N174 WeakPolarHBondContact O-CB 3.36Å; L123-N174 PolarHBondContact O-ND2 3.33Å; L123-L178 HydrophobicContact CD1-CD1 3.9Å; L123-L178 HydrophobicContact CD2-CD1 4.42Å; L123-L178 HydrophobicContact CD2-CD2 4.22Å; L123-L178 HydrophobicContact CD2-CG 4.44Å
124	N	97.2	Very high	95.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	13.7	-177.6	74.6	-10.8	0	0	0	114.6	V122 V157 G158 G159 Y161 A167 R170 F171 Y195	V122-N124 VanDerWaalsContact C-N 3.32Å; V122-N124 VanDerWaalsContact CG1-OD1 3.23Å; V122-N124 WeakPolarHBondContact CG1-OD1 3.28Å; V122-N124 PolarHBondContact O-N 3.03Å; N124-V157 PolarHBondContact ND2-O 3.36Å; N124-V157 PolarHBondContact OD1-O 3.12Å; N124-G158 WeakPolarHBondContact OD1-CA 3.45Å; N124-G159 PolarHBondContact ND2-N 2.82Å; N124-G159 PolarHBondContact ND2-O 3.12Å; N124-G159 PolarHBondContact OD1-N 3.38Å; N124-Y161 WeakPolarHBondContact O-CE2 3.49Å; N124-A167 VanDerWaalsContact CB-O 3.29Å; N124-A167 WeakPolarHBondContact CB-O 3.25Å; N124-R170 HydrophobicContact CB-CB 4.45Å; N124-R170 PolarHBondContact O-NE 2.93Å; N124-F171 HydrophobicContact CB-CB 3.93Å; N124-F171 HydrophobicContact CB-CD2 4.13Å; N124-Y195 PolarHBondContact ND2-OH 2.98Å; N124-Y195 VanDerWaalsContact ND2-OH 3.08Å
125	S	96.9	Very high	95.6	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.042	27%	0.27	C	S	.	.			trans	-59.3	139.8	179.1	-174	0	0	0	0	111.7	V122 L123 T127 T130 V131	V122-S125 PolarHBondContact O-N 2.81Å; L123-S125 VanDerWaalsContact C-N 3.34Å; S125-T127 PolarHBondContact O-N 2.87Å; S125-T127 PolarHBondContact OG-N 2.71Å; S125-T127 PolarHBondContact OG-OG1 3.25Å; S125-T130 WeakPolarHBondContact OG-CB 3.09Å; S125-V131 WeakPolarHBondContact O-CG2 3.49Å
126	P	96.5	Very high	95.7	Very high	77 Å²	77	52.7 Å²	52.7	50%	0.5	29%	0.286	S	S	.	.	S	Bend	trans	-72.2	-14.7	172.4	31	-35.9	0	0	0	112.1	Y161	P126-Y161 VanDerWaalsContact CD-CD1 3.49Å; P126-Y161 HydrophobicContact CG-CD1 3.75Å; P126-Y161 HydrophobicContact CG-CE1 4.01Å; P126-Y161 HydrophobicContact CG-CG 4.01Å
127	T	96.5	Very high	95.8	Very high	70 Å²	70	52.8 Å²	52.8	43%	0.429	29%	0.286	S	S	.	.	S	Bend	trans	-95.1	118.2	-178.7	59.3	0	0	0	0	111.3	S125 K129 T130 V131	S125-T127 PolarHBondContact O-N 2.87Å; S125-T127 PolarHBondContact OG-N 2.71Å; S125-T127 PolarHBondContact OG-OG1 3.25Å; T127-K129 VanDerWaalsContact C-N 3.28Å; T127-K129 PolarHBondContact O-N 2.69Å; T127-T130 PolarHBondContact O-N 2.86Å; T127-T130 WeakPolarHBondContact OG1-CB 3.35Å; T127-T130 PolarHBondContact OG1-OG1 3.06Å; T127-V131 PolarHBondContact O-N 2.8Å
128	A	96.5	Very high	95.9	Very high	68 Å²	68	52.7 Å²	52.7	56%	0.562	29%	0.286	S	S	*	.	H	α-helix	trans	-52.1	-43.9	-179.2	0	0	0	0	0	113.1	T130 V131 D132	A128-T130 VanDerWaalsContact C-N 3.32Å; A128-T130 PolarHBondContact O-N 2.93Å; A128-V131 WeakPolarHBondContact O-CB 3.18Å; A128-V131 PolarHBondContact O-N 3.14Å; A128-V131 VanDerWaalsContact O-N 3.07Å; A128-D132 PolarHBondContact O-N 3.48Å
129	K	96.7	Very high	96.4	Very high	157 Å²	157	51.5 Å²	51.5	68%	0.683	28%	0.278	S	S	*	.	H	α-helix	trans	-56	-42.1	177.8	-177.4	-179.2	177.8	-177.5	0	113.4	T127 D132 M133	T127-K129 VanDerWaalsContact C-N 3.28Å; T127-K129 PolarHBondContact O-N 2.69Å; K129-D132 PolarHBondContact O-N 3.4Å; K129-M133 WeakPolarHBondContact O-CG 3.46Å; K129-M133 PolarHBondContact O-N 2.91Å; K129-M133 VanDerWaalsContact O-N 3.12Å
130	T	96.7	Very high	96.8	Very high	47 Å²	47	44.4 Å²	44.4	29%	0.288	24%	0.244	S	C	.	.	H	α-helix	trans	-68.3	-39.7	178.2	-58.8	0	0	0	0	110.6	V122 S125 T127 A128 M133 A134	V122-T130 HydrophobicContact CB-CG2 4.35Å; S125-T130 WeakPolarHBondContact OG-CB 3.09Å; T127-T130 PolarHBondContact O-N 2.86Å; T127-T130 WeakPolarHBondContact OG1-CB 3.35Å; T127-T130 PolarHBondContact OG1-OG1 3.06Å; A128-T130 VanDerWaalsContact C-N 3.32Å; A128-T130 PolarHBondContact O-N 2.93Å; T130-M133 PolarHBondContact O-N 3.27Å; T130-A134 WeakPolarHBondContact O-CB 3.36Å; T130-A134 PolarHBondContact O-N 3.37Å
131	V	97.6	Very high	97.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-43.7	175.6	-174.6	0	0	0	0	110.8	S125 T127 A128 M133 A134 V135 N174	S125-V131 WeakPolarHBondContact O-CG2 3.49Å; T127-V131 PolarHBondContact O-N 2.8Å; A128-V131 WeakPolarHBondContact O-CB 3.18Å; A128-V131 PolarHBondContact O-N 3.14Å; A128-V131 VanDerWaalsContact O-N 3.07Å; V131-M133 VanDerWaalsContact C-N 3.3Å; V131-M133 PolarHBondContact O-N 3.05Å; V131-A134 PolarHBondContact O-N 3.39Å; V131-A134 VanDerWaalsContact O-N 3.13Å; V131-V135 HydrophobicContact CG1-CG2 4.31Å; V131-V135 WeakPolarHBondContact O-CG2 3.38Å; V131-V135 PolarHBondContact O-N 3.42Å; V131-N174 HydrophobicContact CG1-CB 3.87Å; V131-N174 VanDerWaalsContact CG1-CG 3.44Å
132	D	97.5	Very high	97.3	Very high	77 Å²	77	37.1 Å²	37.1	41%	0.412	21%	0.212	S	C	.	.	H	α-helix	trans	-60.5	-41.2	178.7	-61.6	-20.4	0	0	0	111.6	A128 K129 A136 R177	A128-D132 PolarHBondContact O-N 3.48Å; K129-D132 PolarHBondContact O-N 3.4Å; D132-A136 WeakPolarHBondContact O-CB 3.26Å; D132-A136 PolarHBondContact O-N 2.99Å; D132-R177 IonicContact OD1-CZ 3.18Å; D132-R177 IonicContact OD1-NH1 2.87Å; D132-R177 PolarHBondContact OD1-NH1 3.4Å; D132-R177 IonicContact OD1-NH2 3.71Å; D132-R177 PolarHBondContact OD1-NH2 2.98Å
133	M	96.8	Very high	97.3	Very high	96 Å²	96	39 Å²	39	47%	0.473	22%	0.221	S	C	.	.	H	α-helix	trans	-65.7	-41.5	173.6	-73.7	178.3	48.1	0	0	112.4	K129 T130 V131 A136 E137	K129-M133 WeakPolarHBondContact O-CG 3.46Å; K129-M133 PolarHBondContact O-N 2.91Å; K129-M133 VanDerWaalsContact O-N 3.12Å; T130-M133 PolarHBondContact O-N 3.27Å; V131-M133 VanDerWaalsContact C-N 3.3Å; V131-M133 PolarHBondContact O-N 3.05Å; M133-A136 PolarHBondContact O-N 3.14Å; M133-E137 PolarHBondContact O-N 3.09Å
134	A	97.8	Very high	97.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-42.4	177.4	0	0	0	0	0	111.6	V121 T130 V131 E137 L138	V121-A134 HydrophobicContact CG1-CB 4.02Å; T130-A134 WeakPolarHBondContact O-CB 3.36Å; T130-A134 PolarHBondContact O-N 3.37Å; V131-A134 PolarHBondContact O-N 3.39Å; V131-A134 VanDerWaalsContact O-N 3.13Å; A134-E137 PolarHBondContact O-N 2.85Å; A134-L138 WeakPolarHBondContact O-CG 3.39Å; A134-L138 PolarHBondContact O-N 3.39Å
135	V	98	Very high	97.4	Very high	21 Å²	21	39.1 Å²	39.1	13%	0.127	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-50.9	173.4	171.5	0	0	0	0	109.8	L123 V131 E137 L138 E139 R177 L178	L123-V135 HydrophobicContact CD2-CG2 4.3Å; V131-V135 HydrophobicContact CG1-CG2 4.31Å; V131-V135 WeakPolarHBondContact O-CG2 3.38Å; V131-V135 PolarHBondContact O-N 3.42Å; V135-E137 VanDerWaalsContact C-N 3.32Å; V135-E137 PolarHBondContact O-N 3.44Å; V135-L138 PolarHBondContact O-N 2.73Å; V135-L138 VanDerWaalsContact O-N 3.12Å; V135-E139 HydrophobicContact CG1-CG 4.32Å; V135-E139 WeakPolarHBondContact O-CG 3.49Å; V135-E139 PolarHBondContact O-N 3.3Å; V135-R177 HydrophobicContact CG2-CB 4.48Å; V135-L178 HydrophobicContact CB-CD2 4.34Å; V135-L178 HydrophobicContact CG1-CD2 4.25Å; V135-L178 HydrophobicContact CG2-CD2 3.98Å
136	A	97.3	Very high	97.4	Very high	41 Å²	41	43.7 Å²	43.7	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-58.9	-40.7	179.4	0	0	0	0	0	113.1	T78 D132 M133 Y140	T78-A136 HydrophobicContact CG2-CB 4.28Å; T78-A136 WeakPolarHBondContact CG2-O 3.48Å; D132-A136 WeakPolarHBondContact O-CB 3.26Å; D132-A136 PolarHBondContact O-N 2.99Å; M133-A136 PolarHBondContact O-N 3.14Å; A136-Y140 PolarHBondContact O-N 3.11Å
137	E	97.5	Very high	97.5	Very high	38 Å²	38	41 Å²	41	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-42.3	174.7	-84.6	-65.5	141.1	0	0	112.3	T78 V121 M133 A134 V135 Y140 H141	T78-E137 WeakPolarHBondContact CB-OE1 3.29Å; T78-E137 HydrophobicContact CG2-CG 4.23Å; T78-E137 VanDerWaalsContact CG2-OE1 3.27Å; T78-E137 WeakPolarHBondContact CG2-OE1 3.09Å; T78-E137 PolarHBondContact OG1-OE1 3.05Å; V121-E137 HydrophobicContact CG2-CB 3.77Å; V121-E137 HydrophobicContact CG2-CG 4.21Å; M133-E137 PolarHBondContact O-N 3.09Å; A134-E137 PolarHBondContact O-N 2.85Å; V135-E137 VanDerWaalsContact C-N 3.32Å; V135-E137 PolarHBondContact O-N 3.44Å; E137-Y140 WeakPolarHBondContact O-CB 3.49Å; E137-Y140 PolarHBondContact O-N 3.04Å; E137-H141 PolarHBondContact O-N 2.92Å; E137-H141 PolarHBondContact O-ND1 3.18Å; E137-H141 IonicContact OE2-CE1 3.86Å; E137-H141 PolarHBondContact OE2-CE1 2.95Å; E137-H141 IonicContact OE2-ND1 3.03Å
138	L	98.4	Very high	97.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67	-41.3	177.9	-72.5	171.2	0	0	0	112.1	P117 V121 L123 A134 V135 Y140 H141 A142 I153 I155 L178 V182 L186	P117-L138 HydrophobicContact CG-CD2 4.12Å; V121-L138 HydrophobicContact CG1-CD1 4.06Å; V121-L138 HydrophobicContact CG1-CD2 3.99Å; V121-L138 HydrophobicContact CG1-CG 3.74Å; L123-L138 HydrophobicContact CD1-CD1 3.48Å; L123-L138 VanDerWaalsContact CD1-CD1 3.48Å; L123-L138 HydrophobicContact CD2-CD1 4.47Å; L123-L138 HydrophobicContact CG-CD1 3.97Å; A134-L138 WeakPolarHBondContact O-CG 3.39Å; A134-L138 PolarHBondContact O-N 3.39Å; V135-L138 PolarHBondContact O-N 2.73Å; V135-L138 VanDerWaalsContact O-N 3.12Å; L138-Y140 VanDerWaalsContact C-N 3.3Å; L138-Y140 PolarHBondContact O-N 3.35Å; L138-H141 PolarHBondContact O-N 3.33Å; L138-H141 VanDerWaalsContact O-N 3.13Å; L138-A142 PolarHBondContact O-N 3.12Å; L138-I153 HydrophobicContact CD2-CG2 3.78Å; L138-I155 HydrophobicContact CD2-CG2 4.07Å; L138-L178 HydrophobicContact CB-CD2 4.16Å; L138-L178 HydrophobicContact CD1-CD1 4.12Å; L138-L178 HydrophobicContact CD1-CD2 3.74Å; L138-V182 HydrophobicContact CB-CG1 3.87Å; L138-V182 HydrophobicContact CB-CG2 4.29Å; L138-V182 HydrophobicContact CD1-CG1 4.47Å; L138-V182 WeakPolarHBondContact O-CG2 3.48Å; L138-L186 HydrophobicContact CD1-CD1 4.42Å; L138-L186 HydrophobicContact CD2-CD1 3.87Å
139	E	97.9	Very high	97.5	Very high	53 Å²	53	39.7 Å²	39.7	25%	0.248	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-40.4	173.7	-65.1	-55.3	151	0	0	111.5	V135 H141 A142 I143 S179 V182	V135-E139 HydrophobicContact CG1-CG 4.32Å; V135-E139 WeakPolarHBondContact O-CG 3.49Å; V135-E139 PolarHBondContact O-N 3.3Å; E139-H141 PolarHBondContact O-N 2.99Å; E139-A142 PolarHBondContact O-N 2.62Å; E139-I143 WeakPolarHBondContact O-CG1 3.41Å; E139-I143 PolarHBondContact O-N 3.06Å; E139-S179 WeakPolarHBondContact OE1-CB 3.44Å; E139-S179 PolarHBondContact OE1-N 3.34Å; E139-S179 PolarHBondContact OE1-OG 2.71Å; E139-S179 WeakPolarHBondContact OE2-CB 3.37Å; E139-S179 PolarHBondContact OE2-OG 3.35Å; E139-V182 HydrophobicContact CG-CG2 4.49Å
140	Y	97.3	Very high	97.5	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-57.7	-47.6	171.5	155.1	-117.3	0	0	0	111.9	S71 F74 Y77 T78 A136 E137 L138 A142 I143 I144	S71-Y140 WeakPolarHBondContact O-CE1 3.49Å; S71-Y140 PolarHBondContact O-OH 3.35Å; F74-Y140 HydrophobicContact CB-CE2 3.59Å; F74-Y140 HydrophobicContact CD2-CE2 4.2Å; F74-Y140 AromaticContact CG-CE2 3.95Å; F74-Y140 HydrophobicContact CG-CE2 3.95Å; F74-Y140 PolarHBondContact N-OH 3.42Å; Y77-Y140 AromaticContact CD1-CD2 3.49Å; Y77-Y140 HydrophobicContact CD1-CD2 3.49Å; Y77-Y140 VanDerWaalsContact CD1-CD2 3.49Å; Y77-Y140 HydrophobicContact CD1-CE2 4.4Å; Y77-Y140 AromaticContact CD1-CG 3.71Å; Y77-Y140 HydrophobicContact CD1-CG 3.71Å; Y77-Y140 HydrophobicContact CD2-CD2 4.27Å; Y77-Y140 AromaticContact CE1-CD2 3.92Å; Y77-Y140 HydrophobicContact CE1-CD2 3.92Å; Y77-Y140 HydrophobicContact CE1-CG 4.29Å; Y77-Y140 AromaticContact CG-CD2 3.69Å; Y77-Y140 HydrophobicContact CG-CD2 3.69Å; Y77-Y140 HydrophobicContact CG-CE2 4.15Å; Y77-Y140 HydrophobicContact CG-CG 4.18Å; T78-Y140 HydrophobicContact CG2-CG 4.47Å; A136-Y140 PolarHBondContact O-N 3.11Å; E137-Y140 WeakPolarHBondContact O-CB 3.49Å; E137-Y140 PolarHBondContact O-N 3.04Å; L138-Y140 VanDerWaalsContact C-N 3.3Å; L138-Y140 PolarHBondContact O-N 3.35Å; Y140-A142 VanDerWaalsContact C-N 3.29Å; Y140-A142 PolarHBondContact O-N 2.49Å; Y140-I143 WeakPolarHBondContact O-CB 3.31Å; Y140-I143 PolarHBondContact O-N 2.74Å; Y140-I144 HydrophobicContact CD2-CD1 4.49Å; Y140-I144 HydrophobicContact CD2-CG1 4Å; Y140-I144 HydrophobicContact CE2-CD1 3.86Å; Y140-I144 HydrophobicContact CE2-CG1 3.4Å; Y140-I144 VanDerWaalsContact CE2-CG1 3.4Å; Y140-I144 PolarHBondContact O-N 3.11Å; Y140-I144 VanDerWaalsContact O-N 3.16Å
141	H	98.1	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-35.6	178.3	-73.7	78.5	0	0	0	111.8	S71 M115 E137 L138 E139 I144 A145 I153	S71-H141 VanDerWaalsContact CB-NE2 3.34Å; S71-H141 WeakPolarHBondContact CB-NE2 3.48Å; S71-H141 PolarHBondContact OG-NE2 3.35Å; M115-H141 VanDerWaalsContact CE-CD2 3.46Å; M115-H141 WeakPolarHBondContact CE-CD2 3.42Å; M115-H141 HydrophobicContact SD-CB 4.14Å; E137-H141 PolarHBondContact O-N 2.92Å; E137-H141 PolarHBondContact O-ND1 3.18Å; E137-H141 IonicContact OE2-CE1 3.86Å; E137-H141 PolarHBondContact OE2-CE1 2.95Å; E137-H141 IonicContact OE2-ND1 3.03Å; L138-H141 PolarHBondContact O-N 3.33Å; L138-H141 VanDerWaalsContact O-N 3.13Å; E139-H141 PolarHBondContact O-N 2.99Å; H141-I144 PolarHBondContact O-N 2.84Å; H141-A145 VanDerWaalsContact O-CB 3.25Å; H141-A145 WeakPolarHBondContact O-CB 3.38Å; H141-A145 PolarHBondContact O-N 3.4Å; H141-I153 HydrophobicContact CB-CD1 3.9Å; H141-I153 HydrophobicContact CB-CG1 4.29Å; H141-I153 HydrophobicContact CB-CG2 4.15Å
142	A	97.9	Very high	97.3	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-41.7	174	0	0	0	0	0	112.6	L138 E139 Y140 I144 A145 E146 I153 V182	L138-A142 PolarHBondContact O-N 3.12Å; E139-A142 PolarHBondContact O-N 2.62Å; Y140-A142 VanDerWaalsContact C-N 3.29Å; Y140-A142 PolarHBondContact O-N 2.49Å; A142-I144 VanDerWaalsContact C-N 3.32Å; A142-I144 PolarHBondContact O-N 3.24Å; A142-A145 PolarHBondContact O-N 3.21Å; A142-E146 WeakPolarHBondContact O-CG 3.27Å; A142-E146 PolarHBondContact O-N 3.46Å; A142-I153 HydrophobicContact CB-CD1 4.24Å; A142-V182 HydrophobicContact CB-CB 4.48Å; A142-V182 HydrophobicContact CB-CG2 3.55Å
143	I	97.1	Very high	97.3	Very high	60 Å²	60	30.2 Å²	30.2	31%	0.308	16%	0.16	S	C	.	.	H	α-helix	trans	-57.3	-46.9	174.1	-67.3	165.4	0	0	0	110.6	E139 Y140 E146 L147	E139-I143 WeakPolarHBondContact O-CG1 3.41Å; E139-I143 PolarHBondContact O-N 3.06Å; Y140-I143 WeakPolarHBondContact O-CB 3.31Å; Y140-I143 PolarHBondContact O-N 2.74Å; I143-E146 PolarHBondContact O-N 3.41Å; I143-L147 HydrophobicContact CG2-CD1 4.28Å; I143-L147 WeakPolarHBondContact O-CG 3.37Å; I143-L147 PolarHBondContact O-N 3.28Å
144	I	97.7	Very high	97.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-43.9	177.6	-59.7	-48.5	0	0	0	110.9	L73 F74 M115 Y140 H141 A142 E146 L147 V148	L73-I144 HydrophobicContact CD2-CD1 4.41Å; L73-I144 HydrophobicContact CD2-CG2 3.54Å; F74-I144 HydrophobicContact CD2-CD1 3.44Å; F74-I144 VanDerWaalsContact CD2-CD1 3.44Å; F74-I144 HydrophobicContact CD2-CG1 4.3Å; F74-I144 HydrophobicContact CE1-CD1 4.36Å; F74-I144 HydrophobicContact CE2-CD1 3.22Å; F74-I144 HydrophobicContact CE2-CG1 4.43Å; F74-I144 HydrophobicContact CG-CD1 4.16Å; F74-I144 HydrophobicContact CZ-CD1 3.72Å; M115-I144 HydrophobicContact CE-CB 4.01Å; M115-I144 HydrophobicContact CE-CG2 3.72Å; M115-I144 HydrophobicContact SD-CB 4.16Å; M115-I144 HydrophobicContact SD-CG2 4.06Å; Y140-I144 HydrophobicContact CD2-CD1 4.49Å; Y140-I144 HydrophobicContact CD2-CG1 4Å; Y140-I144 HydrophobicContact CE2-CD1 3.86Å; Y140-I144 HydrophobicContact CE2-CG1 3.4Å; Y140-I144 VanDerWaalsContact CE2-CG1 3.4Å; Y140-I144 PolarHBondContact O-N 3.11Å; Y140-I144 VanDerWaalsContact O-N 3.16Å; H141-I144 PolarHBondContact O-N 2.84Å; A142-I144 VanDerWaalsContact C-N 3.32Å; A142-I144 PolarHBondContact O-N 3.24Å; I144-E146 VanDerWaalsContact C-N 3.32Å; I144-E146 PolarHBondContact O-N 2.92Å; I144-L147 PolarHBondContact O-N 3.46Å; I144-V148 VanDerWaalsContact O-CG2 3.28Å; I144-V148 WeakPolarHBondContact O-CG2 3.47Å; I144-V148 PolarHBondContact O-N 3.02Å; I144-V148 VanDerWaalsContact O-N 3.08Å
145	A	98	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-39.8	-179.4	0	0	0	0	0	112.4	H141 A142 N149 A150 I153	H141-A145 VanDerWaalsContact O-CB 3.25Å; H141-A145 WeakPolarHBondContact O-CB 3.38Å; H141-A145 PolarHBondContact O-N 3.4Å; A142-A145 PolarHBondContact O-N 3.21Å; A145-N149 CarbonylContact O-C 3.51Å; A145-N149 VanDerWaalsContact O-CA 3.25Å; A145-N149 WeakPolarHBondContact O-CA 3.45Å; A145-N149 PolarHBondContact O-N 3.19Å; A145-A150 HydrophobicContact CB-CB 3.93Å; A145-A150 PolarHBondContact O-N 2.96Å; A145-I153 HydrophobicContact CB-CD1 4.42Å
146	E	97.6	Very high	97.2	Very high	102 Å²	102	27.5 Å²	27.5	48%	0.477	15%	0.145	S	C	.	.	H	α-helix	trans	-63	-43.4	173.2	-75.1	177.7	-177.6	0	0	112.5	A142 I143 I144 V148 S181	A142-E146 WeakPolarHBondContact O-CG 3.27Å; A142-E146 PolarHBondContact O-N 3.46Å; I143-E146 PolarHBondContact O-N 3.41Å; I144-E146 VanDerWaalsContact C-N 3.32Å; I144-E146 PolarHBondContact O-N 2.92Å; E146-V148 VanDerWaalsContact C-N 3.33Å; E146-V148 PolarHBondContact O-N 2.99Å; E146-S181 VanDerWaalsContact OE1-CB 3.28Å; E146-S181 WeakPolarHBondContact OE1-CB 3.32Å; E146-S181 PolarHBondContact OE1-OG 3.18Å
147	L	97.6	Very high	97.1	Very high	22 Å²	22	25.6 Å²	25.6	12%	0.115	13%	0.129	C	C	.	.	H	α-helix	trans	-66.7	-34.6	-178.6	-71.3	171.2	0	0	0	112.9	L86 I96 L99 K100 I143 I144	L86-L147 HydrophobicContact CD2-CD1 3.93Å; I96-L147 HydrophobicContact CG1-CD2 4.33Å; I96-L147 HydrophobicContact CG2-CD2 4.03Å; L99-L147 CarbonylContact C-O 3.59Å; L99-L147 HydrophobicContact CB-CB 4.03Å; L99-L147 HydrophobicContact CD1-CB 4.46Å; L99-L147 HydrophobicContact CD1-CD1 3.8Å; K100-L147 WeakPolarHBondContact CA-O 3.41Å; K100-L147 HydrophobicContact CG-CD2 4.48Å; I143-L147 HydrophobicContact CG2-CD1 4.28Å; I143-L147 WeakPolarHBondContact O-CG 3.37Å; I143-L147 PolarHBondContact O-N 3.28Å; I144-L147 PolarHBondContact O-N 3.46Å
148	V	97.9	Very high	97	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-106.4	0.7	-174.7	-51.4	0	0	0	0	113.6	L52 I69 L99 G103 L113 I144 E146 A150	L52-V148 HydrophobicContact CD2-CG1 3.89Å; I69-V148 HydrophobicContact CD1-CG2 3.64Å; L99-V148 HydrophobicContact CB-CG1 3.96Å; L99-V148 HydrophobicContact CD2-CG1 3.88Å; L99-V148 HydrophobicContact CG-CG1 4.47Å; G103-V148 WeakPolarHBondContact CA-O 3.23Å; L113-V148 HydrophobicContact CD1-CB 4.02Å; L113-V148 HydrophobicContact CD1-CG2 4Å; L113-V148 WeakPolarHBondContact CD1-O 3.45Å; I144-V148 VanDerWaalsContact O-CG2 3.28Å; I144-V148 WeakPolarHBondContact O-CG2 3.47Å; I144-V148 PolarHBondContact O-N 3.02Å; I144-V148 VanDerWaalsContact O-N 3.08Å; E146-V148 VanDerWaalsContact C-N 3.33Å; E146-V148 PolarHBondContact O-N 2.99Å; V148-A150 HydrophobicContact CG2-CB 3.9Å
149	N	97	Very high	96.8	Very high	109 Å²	109	25.2 Å²	25.2	58%	0.583	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	42.1	-171.4	-55.3	-48.8	0	0	0	113.7	A145	A145-N149 CarbonylContact O-C 3.51Å; A145-N149 VanDerWaalsContact O-CA 3.25Å; A145-N149 WeakPolarHBondContact O-CA 3.45Å; A145-N149 PolarHBondContact O-N 3.19Å
150	A	96.7	Very high	96.6	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.017	14%	0.135	C	C	.	.			trans	-77.2	140.2	166.2	0	0	0	0	0	110	L113 A145 V148 R185	L113-A150 HydrophobicContact CB-CB 3.89Å; L113-A150 VanDerWaalsContact O-CA 3.29Å; L113-A150 WeakPolarHBondContact O-CA 3.35Å; L113-A150 VanDerWaalsContact O-CB 3.27Å; L113-A150 WeakPolarHBondContact O-CB 3.27Å; A145-A150 HydrophobicContact CB-CB 3.93Å; A145-A150 PolarHBondContact O-N 2.96Å; V148-A150 HydrophobicContact CG2-CB 3.9Å; A150-R185 WeakPolarHBondContact O-CD 3.4Å; A150-R185 PolarHBondContact O-NE 3.44Å; A150-R185 VanDerWaalsContact O-NE 3.11Å
151	D	93.7	Very high	96.3	Very high	75 Å²	75	28.5 Å²	28.5	40%	0.401	15%	0.15	S	C	.	.			trans	-109.7	-8.5	-173	64.4	-12.4	0	0	0	113.5	R112 L113	R112-D151 WeakPolarHBondContact CG-OD1 3.34Å; R112-D151 IonicContact CZ-OD1 3.89Å; R112-D151 IonicContact CZ-OD2 2.69Å; R112-D151 VanDerWaalsContact NE-CG 3.33Å; R112-D151 IonicContact NE-OD1 3.63Å; R112-D151 PolarHBondContact NE-OD1 3.19Å; R112-D151 IonicContact NE-OD2 3.7Å; R112-D151 PolarHBondContact NE-OD2 3.32Å; R112-D151 IonicContact NH2-OD1 3.17Å; R112-D151 IonicContact NH2-OD2 3.35Å; R112-D151 PolarHBondContact NH2-OD2 3.33Å; L113-D151 PolarHBondContact O-N 2.77Å
152	V	95.8	Very high	95.8	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.9	-177.8	171.8	0	0	0	0	111.4	V114 M115 N154 R185 T187	V114-V152 HydrophobicContact CB-CB 4.02Å; V114-V152 HydrophobicContact CB-CG1 4.34Å; V114-V152 HydrophobicContact CG1-CB 3.86Å; V114-V152 HydrophobicContact CG1-CG1 4.47Å; V114-V152 HydrophobicContact CG1-CG2 4.3Å; M115-V152 PolarHBondContact N-O 2.82Å; V152-N154 HydrophobicContact CG1-CB 3.96Å; V152-R185 CarbonylContact C-O 3.57Å; V152-R185 WeakPolarHBondContact CA-O 3.46Å; V152-T187 HydrophobicContact CB-CG2 4.45Å; V152-T187 HydrophobicContact CG1-CG2 3.83Å; V152-T187 WeakPolarHBondContact CG1-OG1 3.26Å; V152-T187 HydrophobicContact CG2-CG2 4.13Å
153	I	97.7	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	98.1	164.5	-58.7	171.3	0	0	0	106.5	P117 L138 H141 A142 A145 R185 L186 T187	P117-I153 HydrophobicContact CG-CG2 3.75Å; L138-I153 HydrophobicContact CD2-CG2 3.78Å; H141-I153 HydrophobicContact CB-CD1 3.9Å; H141-I153 HydrophobicContact CB-CG1 4.29Å; H141-I153 HydrophobicContact CB-CG2 4.15Å; A142-I153 HydrophobicContact CB-CD1 4.24Å; A145-I153 HydrophobicContact CB-CD1 4.42Å; I153-R185 HydrophobicContact CD1-CB 4.08Å; I153-R185 HydrophobicContact CG1-CB 4.08Å; I153-R185 PolarHBondContact N-O 2.98Å; I153-L186 HydrophobicContact CG2-CD1 4.3Å; I153-L186 WeakPolarHBondContact O-CA 3.19Å; I153-T187 PolarHBondContact O-N 3.22Å
154	N	96.9	Very high	95.4	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.4	-173.4	-173.6	65.1	0	0	0	112.2	M115 H116 P117 V152 T187 E189 V212	M115-N154 PolarHBondContact O-N 3.42Å; H116-N154 WeakPolarHBondContact CA-O 3.46Å; H116-N154 PolarHBondContact CD2-ND2 3.24Å; H116-N154 PolarHBondContact CE1-O 2.7Å; H116-N154 PolarHBondContact ND1-O 2.92Å; H116-N154 PolarHBondContact NE2-ND2 2.99Å; H116-N154 VanDerWaalsContact NE2-ND2 3.11Å; P117-N154 VanDerWaalsContact CD-O 3.27Å; P117-N154 WeakPolarHBondContact CD-O 3.29Å; V152-N154 HydrophobicContact CG1-CB 3.96Å; N154-T187 WeakPolarHBondContact CA-O 3.4Å; N154-T187 VanDerWaalsContact CA-OG1 3.29Å; N154-T187 WeakPolarHBondContact CA-OG1 3.49Å; N154-T187 VanDerWaalsContact CB-OG1 3.27Å; N154-T187 WeakPolarHBondContact CB-OG1 3.26Å; N154-T187 PolarHBondContact OD1-O 3.42Å; N154-T187 PolarHBondContact OD1-OG1 2.75Å; N154-E189 WeakPolarHBondContact ND2-CB 3.23Å; N154-E189 PolarHBondContact ND2-OE2 3.06Å; N154-V212 WeakPolarHBondContact OD1-CB 3.45Å; N154-V212 WeakPolarHBondContact OD1-CG2 3.31Å
155	I	97.2	Very high	95.3	Very high	3 Å²	3	44 Å²	44	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	162	176.1	61.5	169.2	0	0	0	111.5	P117 V121 L123 L138 F171 L186 T187 L188 E189	P117-I155 HydrophobicContact CB-CG2 4.23Å; P117-I155 HydrophobicContact CG-CG2 3.89Å; V121-I155 HydrophobicContact CG1-CG2 4.44Å; L123-I155 HydrophobicContact CD1-CD1 3.73Å; L138-I155 HydrophobicContact CD2-CG2 4.07Å; I155-F171 HydrophobicContact CD1-CE2 4.13Å; I155-F171 HydrophobicContact CD1-CZ 3.95Å; I155-L186 HydrophobicContact CD1-CD1 3.9Å; I155-L186 HydrophobicContact CD1-CD2 4.2Å; I155-L186 HydrophobicContact CD1-CG 4.41Å; I155-L186 HydrophobicContact CG1-CD1 4.01Å; I155-L186 HydrophobicContact CG1-CG 4.41Å; I155-T187 PolarHBondContact N-O 3.22Å; I155-L188 HydrophobicContact CD1-CD2 4.31Å; I155-L188 HydrophobicContact CG1-CD2 3.85Å; I155-L188 CarbonylContact O-C 3.54Å; I155-L188 WeakPolarHBondContact O-CA 3.27Å; I155-E189 PolarHBondContact O-N 2.67Å
156	H	95.7	Very high	95.2	Very high	52 Å²	52	46.9 Å²	46.9	24%	0.241	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	165.1	164	-63.5	-60.9	0	0	0	110.7	G158 E189 H217	H156-G158 VanDerWaalsContact C-N 3.33Å; H156-G158 PolarHBondContact O-N 3.39Å; H156-E189 IonicContact CE1-OE1 3.98Å; H156-E189 PolarHBondContact CE1-OE1 3.09Å; H156-E189 VanDerWaalsContact CE1-OE1 3.29Å; H156-E189 PolarHBondContact ND1-O 3.06Å; H156-H217 AromaticContact CE1-CE1 3.55Å; H156-H217 AromaticContact CE1-ND1 3.74Å; H156-H217 AromaticContact NE2-CE1 3.87Å
157	V	96.5	Very high	95.2	Very high	1 Å²	1	42 Å²	42	1%	0.006	23%	0.229	C	C	.	.			trans	-65	-37.7	177.9	-178.1	0	0	0	0	111.5	N124 F171 Y195 V200 L203	N124-V157 PolarHBondContact ND2-O 3.36Å; N124-V157 PolarHBondContact OD1-O 3.12Å; V157-F171 HydrophobicContact CG1-CD2 3.93Å; V157-F171 HydrophobicContact CG1-CG 4.43Å; V157-F171 VanDerWaalsContact O-CD2 3.26Å; V157-F171 WeakPolarHBondContact O-CD2 3.33Å; V157-F171 WeakPolarHBondContact O-CE2 3.34Å; V157-Y195 HydrophobicContact CB-CD1 4.09Å; V157-Y195 HydrophobicContact CB-CD2 3.64Å; V157-Y195 HydrophobicContact CB-CE1 4.25Å; V157-Y195 HydrophobicContact CB-CE2 3.82Å; V157-Y195 HydrophobicContact CB-CG 3.78Å; V157-Y195 HydrophobicContact CG1-CD1 3.96Å; V157-Y195 HydrophobicContact CG1-CD2 4.09Å; V157-Y195 HydrophobicContact CG1-CE1 3.68Å; V157-Y195 HydrophobicContact CG1-CE2 3.82Å; V157-Y195 HydrophobicContact CG1-CG 4.14Å; V157-Y195 HydrophobicContact CG2-CD1 4.28Å; V157-Y195 HydrophobicContact CG2-CD2 4.34Å; V157-Y195 HydrophobicContact CG2-CG 4.02Å; V157-V200 HydrophobicContact CG2-CG2 3.82Å; V157-L203 HydrophobicContact CG1-CD2 3.84Å; V157-L203 HydrophobicContact CG2-CD2 3.89Å
158	G	95.3	Very high	95.2	Very high	20 Å²	20	42.1 Å²	42.1	21%	0.206	23%	0.229	C	C	.	.			trans	120.4	-130.3	176.2	0	0	0	0	0	112.8	N124 H156 Q194	N124-G158 WeakPolarHBondContact OD1-CA 3.45Å; H156-G158 VanDerWaalsContact C-N 3.33Å; H156-G158 PolarHBondContact O-N 3.39Å; G158-Q194 PolarHBondContact O-OE1 3.48Å
159	G	94.4	Very high	95.1	Very high	10 Å²	10	48.3 Å²	48.3	10%	0.103	26%	0.258	C	S	.	.			trans	-103.3	145.7	-175.8	0	0	0	0	0	113.9	N124 Y161 A167 Y195	N124-G159 PolarHBondContact ND2-N 2.82Å; N124-G159 PolarHBondContact ND2-O 3.12Å; N124-G159 PolarHBondContact OD1-N 3.38Å; G159-Y161 VanDerWaalsContact C-CD2 3.42Å; G159-Y161 VanDerWaalsContact CA-CE2 3.48Å; G159-Y161 WeakPolarHBondContact O-CD2 3.42Å; G159-Y161 WeakPolarHBondContact O-CE2 3.27Å; G159-A167 WeakPolarHBondContact O-CB 3.43Å; G159-Y195 PolarHBondContact O-OH 3.33Å
160	V	93.3	Very high	95.1	Very high	41 Å²	41	45.5 Å²	45.5	25%	0.248	24%	0.24	C	C	.	.			trans	-76.1	-30.8	173.6	-65.8	0	0	0	0	114.5	D162 D163 K164 A167 Q194 Y195	V160-D162 PolarHBondContact O-N 3.47Å; V160-D163 CarbonylContact O-C 3.53Å; V160-D163 PolarHBondContact O-N 2.84Å; V160-D163 VanDerWaalsContact O-O 3.13Å; V160-K164 HydrophobicContact CG1-CB 4.37Å; V160-K164 HydrophobicContact CG1-CG 4.48Å; V160-A167 WeakPolarHBondContact O-CB 3.42Å; V160-Q194 HydrophobicContact CG1-CB 3.86Å; V160-Q194 HydrophobicContact CG1-CG 4.07Å; V160-Q194 VanDerWaalsContact N-OE1 3.1Å; V160-Y195 HydrophobicContact CG1-CE2 4.11Å
161	Y	89.9	Confident	95.2	Very high	84 Å²	84	45.4 Å²	45.4	33%	0.329	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	56.6	179.5	-48.3	-80.6	0	0	0	113.6	V122 N124 P126 G159 D163	V122-Y161 WeakPolarHBondContact CG1-OH 3.29Å; N124-Y161 WeakPolarHBondContact O-CE2 3.49Å; P126-Y161 VanDerWaalsContact CD-CD1 3.49Å; P126-Y161 HydrophobicContact CG-CD1 3.75Å; P126-Y161 HydrophobicContact CG-CE1 4.01Å; P126-Y161 HydrophobicContact CG-CG 4.01Å; G159-Y161 VanDerWaalsContact C-CD2 3.42Å; G159-Y161 VanDerWaalsContact CA-CE2 3.48Å; G159-Y161 WeakPolarHBondContact O-CD2 3.42Å; G159-Y161 WeakPolarHBondContact O-CE2 3.27Å; Y161-D163 PolarHBondContact O-N 3.01Å
162	D	88	Confident	95.4	Very high	174 Å²	174	44.3 Å²	44.3	93%	0.93	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	-27.2	179.1	-49.6	-44.3	0	0	0	117.1	V160	V160-D162 PolarHBondContact O-N 3.47Å
163	D	93.2	Very high	95.5	Very high	68 Å²	68	49.5 Å²	49.5	36%	0.364	26%	0.262	S	S	.	.			trans	-136.9	107.8	179.2	-174.8	61.4	0	0	0	112.4	V160 Y161 P165 T166 A167	V160-D163 CarbonylContact O-C 3.53Å; V160-D163 PolarHBondContact O-N 2.84Å; V160-D163 VanDerWaalsContact O-O 3.13Å; Y161-D163 PolarHBondContact O-N 3.01Å; D163-P165 WeakPolarHBondContact OD1-CD 3.27Å; D163-T166 PolarHBondContact O-N 3.27Å; D163-T166 WeakPolarHBondContact OD2-CB 3.39Å; D163-T166 PolarHBondContact OD2-N 2.97Å; D163-T166 PolarHBondContact OD2-OG1 2.69Å; D163-A167 WeakPolarHBondContact O-CB 3.45Å; D163-A167 PolarHBondContact O-N 2.94Å
164	K	94.4	Very high	95.5	Very high	70 Å²	70	50.3 Å²	50.3	30%	0.304	27%	0.266	S	S	.	.	H	α-helix	trans	-60.6	-48	-176.7	-177.5	-169.2	-68.3	-167.6	0	112.2	V160 A167 M168 Q194 Y195 D199	V160-K164 HydrophobicContact CG1-CB 4.37Å; V160-K164 HydrophobicContact CG1-CG 4.48Å; K164-A167 WeakPolarHBondContact O-CB 3.37Å; K164-A167 PolarHBondContact O-N 3.46Å; K164-M168 HydrophobicContact CG-SD 4.26Å; K164-M168 WeakPolarHBondContact O-CG 3.31Å; K164-M168 PolarHBondContact O-N 3.42Å; K164-Q194 WeakPolarHBondContact CE-O 3.03Å; K164-Q194 PolarHBondContact NZ-O 3.48Å; K164-Y195 HydrophobicContact CD-CD1 4.44Å; K164-Y195 HydrophobicContact CD-CE1 4.37Å; K164-Y195 HydrophobicContact CG-CD1 4.3Å; K164-Y195 HydrophobicContact CG-CE1 3.75Å; K164-D199 IonicContact NZ-OD1 3.36Å; K164-D199 IonicContact NZ-OD2 2.67Å; K164-D199 PolarHBondContact NZ-OD2 3.02Å
165	P	95.1	Very high	95.6	Very high	77 Å²	77	50.8 Å²	50.8	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-56.3	-51	175.9	-27	36.2	0	0	0	113.4	D163 A167 M168 E169	D163-P165 WeakPolarHBondContact OD1-CD 3.27Å; P165-A167 PolarHBondContact O-N 3.45Å; P165-M168 PolarHBondContact O-N 3.45Å; P165-E169 PolarHBondContact O-N 2.81Å
166	T	96.4	Very high	95.6	Very high	60 Å²	60	54.4 Å²	54.4	37%	0.368	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-35	177.9	-55.7	0	0	0	0	111.1	D163 E169 R170	D163-T166 PolarHBondContact O-N 3.27Å; D163-T166 WeakPolarHBondContact OD2-CB 3.39Å; D163-T166 PolarHBondContact OD2-N 2.97Å; D163-T166 PolarHBondContact OD2-OG1 2.69Å; T166-E169 PolarHBondContact O-N 3.33Å; T166-R170 VanDerWaalsContact CG2-NH1 3.34Å; T166-R170 WeakPolarHBondContact O-CG 3.34Å; T166-R170 PolarHBondContact O-N 2.85Å
167	A	97.1	Very high	95.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-38.9	174.4	0	0	0	0	0	113.1	N124 G159 V160 D163 K164 P165 R170 F171 Y195	N124-A167 VanDerWaalsContact CB-O 3.29Å; N124-A167 WeakPolarHBondContact CB-O 3.25Å; G159-A167 WeakPolarHBondContact O-CB 3.43Å; V160-A167 WeakPolarHBondContact O-CB 3.42Å; D163-A167 WeakPolarHBondContact O-CB 3.45Å; D163-A167 PolarHBondContact O-N 2.94Å; K164-A167 WeakPolarHBondContact O-CB 3.37Å; K164-A167 PolarHBondContact O-N 3.46Å; P165-A167 PolarHBondContact O-N 3.45Å; A167-R170 VanDerWaalsContact CA-NH2 3.28Å; A167-R170 VanDerWaalsContact CB-NH2 3.29Å; A167-R170 PolarHBondContact O-N 3.13Å; A167-F171 PolarHBondContact O-N 3.21Å; A167-Y195 VanDerWaalsContact CB-OH 3.31Å; A167-Y195 WeakPolarHBondContact CB-OH 3.48Å
168	M	96.4	Very high	95.8	Very high	24 Å²	24	57.5 Å²	57.5	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-67.9	-39.7	174.6	-66.7	174	73.3	0	0	111.5	K164 P165 R170 F171 V172 Y195 D199 L203	K164-M168 HydrophobicContact CG-SD 4.26Å; K164-M168 WeakPolarHBondContact O-CG 3.31Å; K164-M168 PolarHBondContact O-N 3.42Å; P165-M168 PolarHBondContact O-N 3.45Å; M168-R170 VanDerWaalsContact C-N 3.34Å; M168-R170 PolarHBondContact O-N 2.98Å; M168-F171 WeakPolarHBondContact O-CA 3.4Å; M168-F171 VanDerWaalsContact O-CB 3.26Å; M168-F171 WeakPolarHBondContact O-CB 3.39Å; M168-F171 PolarHBondContact O-N 3.07Å; M168-F171 VanDerWaalsContact O-N 3.09Å; M168-V172 WeakPolarHBondContact O-CG2 3.44Å; M168-V172 PolarHBondContact O-N 3.15Å; M168-Y195 HydrophobicContact CG-CE1 3.85Å; M168-Y195 HydrophobicContact SD-CE1 4.4Å; M168-D199 WeakPolarHBondContact CE-O 3.23Å; M168-L203 HydrophobicContact CE-CB 3.94Å
169	E	96.8	Very high	95.9	Very high	132 Å²	132	58.4 Å²	58.4	62%	0.617	31%	0.307	S	S	*	.	H	α-helix	trans	-60.7	-42.2	174	-70	177.3	-178.7	0	0	112.1	P165 T166 F171 V172 L173	P165-E169 PolarHBondContact O-N 2.81Å; T166-E169 PolarHBondContact O-N 3.33Å; E169-F171 VanDerWaalsContact C-N 3.29Å; E169-F171 PolarHBondContact O-N 3.24Å; E169-V172 PolarHBondContact O-N 2.95Å; E169-L173 PolarHBondContact O-N 2.89Å
170	R	97.5	Very high	96.1	Very high	50 Å²	50	64.3 Å²	64.3	19%	0.189	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-39.4	172.7	-73.9	-168.5	-56.7	-88	-1.2	112	N124 T166 A167 M168 L173 N174	N124-R170 HydrophobicContact CB-CB 4.45Å; N124-R170 PolarHBondContact O-NE 2.93Å; T166-R170 VanDerWaalsContact CG2-NH1 3.34Å; T166-R170 WeakPolarHBondContact O-CG 3.34Å; T166-R170 PolarHBondContact O-N 2.85Å; A167-R170 VanDerWaalsContact CA-NH2 3.28Å; A167-R170 VanDerWaalsContact CB-NH2 3.29Å; A167-R170 PolarHBondContact O-N 3.13Å; M168-R170 VanDerWaalsContact C-N 3.34Å; M168-R170 PolarHBondContact O-N 2.98Å; R170-L173 PolarHBondContact O-N 3.08Å; R170-N174 WeakPolarHBondContact O-CB 3.48Å; R170-N174 PolarHBondContact O-N 3.15Å; R170-N174 PolarHBondContact O-ND2 2.99Å
171	F	98.1	Very high	96.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.7	-49.9	174.7	-166.1	-77.5	0	0	0	110.5	L123 N124 I155 V157 A167 M168 E169 L173 N174 F175 L186 L188 L203 L207	L123-F171 HydrophobicContact CB-CD2 3.95Å; L123-F171 HydrophobicContact CB-CE2 3.81Å; L123-F171 HydrophobicContact CB-CZ 4.38Å; L123-F171 HydrophobicContact CD1-CE2 4.13Å; L123-F171 HydrophobicContact CD1-CZ 3.92Å; N124-F171 HydrophobicContact CB-CB 3.93Å; N124-F171 HydrophobicContact CB-CD2 4.13Å; I155-F171 HydrophobicContact CD1-CE2 4.13Å; I155-F171 HydrophobicContact CD1-CZ 3.95Å; V157-F171 HydrophobicContact CG1-CD2 3.93Å; V157-F171 HydrophobicContact CG1-CG 4.43Å; V157-F171 VanDerWaalsContact O-CD2 3.26Å; V157-F171 WeakPolarHBondContact O-CD2 3.33Å; V157-F171 WeakPolarHBondContact O-CE2 3.34Å; A167-F171 PolarHBondContact O-N 3.21Å; M168-F171 WeakPolarHBondContact O-CA 3.4Å; M168-F171 VanDerWaalsContact O-CB 3.26Å; M168-F171 WeakPolarHBondContact O-CB 3.39Å; M168-F171 PolarHBondContact O-N 3.07Å; M168-F171 VanDerWaalsContact O-N 3.09Å; E169-F171 VanDerWaalsContact C-N 3.29Å; E169-F171 PolarHBondContact O-N 3.24Å; F171-L173 PolarHBondContact O-N 3.46Å; F171-N174 PolarHBondContact O-N 3.44Å; F171-F175 HydrophobicContact CD1-CB 4.48Å; F171-F175 HydrophobicContact CE1-CB 4.42Å; F171-F175 HydrophobicContact CE1-CD2 4.41Å; F171-F175 WeakPolarHBondContact O-CB 3.37Å; F171-F175 PolarHBondContact O-N 2.81Å; F171-L186 HydrophobicContact CZ-CD2 4.44Å; F171-L188 HydrophobicContact CE1-CD1 4.14Å; F171-L188 HydrophobicContact CE1-CD2 3.99Å; F171-L188 HydrophobicContact CE2-CD2 4.28Å; F171-L188 HydrophobicContact CZ-CD1 4.29Å; F171-L188 HydrophobicContact CZ-CD2 3.43Å; F171-L188 VanDerWaalsContact CZ-CD2 3.43Å; F171-L203 HydrophobicContact CB-CD2 4.28Å; F171-L203 HydrophobicContact CD1-CD1 4.24Å; F171-L203 HydrophobicContact CD1-CD2 3.82Å; F171-L203 HydrophobicContact CD1-CG 4.32Å; F171-L203 HydrophobicContact CD2-CD2 4.45Å; F171-L203 HydrophobicContact CE1-CD2 4.29Å; F171-L203 HydrophobicContact CG-CD2 3.93Å; F171-L207 HydrophobicContact CD1-CD1 3.76Å; F171-L207 HydrophobicContact CE1-CD1 3.56Å
172	V	97.8	Very high	96.7	Very high	52 Å²	52	59.3 Å²	59.3	32%	0.315	31%	0.309	S	S	.	.	H	α-helix	trans	-59.4	-46.1	179.7	176.4	0	0	0	0	111.4	M168 E169 N174 F175 S176 L203 T206 L207	M168-V172 WeakPolarHBondContact O-CG2 3.44Å; M168-V172 PolarHBondContact O-N 3.15Å; E169-V172 PolarHBondContact O-N 2.95Å; V172-N174 PolarHBondContact O-N 3.04Å; V172-F175 PolarHBondContact O-N 2.88Å; V172-S176 PolarHBondContact O-N 3.37Å; V172-L203 HydrophobicContact CG2-CD1 3.54Å; V172-T206 HydrophobicContact CG2-CG2 4.17Å; V172-L207 HydrophobicContact CB-CD2 4.26Å; V172-L207 HydrophobicContact CG1-CD2 4.06Å; V172-L207 HydrophobicContact CG2-CD2 4.01Å
173	L	97.7	Very high	97.1	Very high	116 Å²	116	53.3 Å²	53.3	61%	0.607	28%	0.275	S	S	*	.	H	α-helix	trans	-59.5	-46.6	177.1	-179	65.3	0	0	0	111.4	E169 R170 F171 S176	E169-L173 PolarHBondContact O-N 2.89Å; R170-L173 PolarHBondContact O-N 3.08Å; F171-L173 PolarHBondContact O-N 3.46Å; L173-S176 WeakPolarHBondContact O-CB 3.3Å; L173-S176 PolarHBondContact O-N 3.42Å; L173-S176 PolarHBondContact O-OG 3.43Å
174	N	98.2	Very high	97.3	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-76.9	-26.3	-177	-70	-37.9	0	0	0	113.4	L123 V131 R170 F171 V172 S176 R177	L123-N174 HydrophobicContact CD2-CB 3.79Å; L123-N174 VanDerWaalsContact O-CB 3.31Å; L123-N174 WeakPolarHBondContact O-CB 3.36Å; L123-N174 PolarHBondContact O-ND2 3.33Å; V131-N174 HydrophobicContact CG1-CB 3.87Å; V131-N174 VanDerWaalsContact CG1-CG 3.44Å; R170-N174 WeakPolarHBondContact O-CB 3.48Å; R170-N174 PolarHBondContact O-N 3.15Å; R170-N174 PolarHBondContact O-ND2 2.99Å; F171-N174 PolarHBondContact O-N 3.44Å; V172-N174 PolarHBondContact O-N 3.04Å; N174-S176 PolarHBondContact O-N 3.01Å; N174-R177 VanDerWaalsContact O-CB 3.26Å; N174-R177 WeakPolarHBondContact O-CB 3.24Å; N174-R177 PolarHBondContact O-N 2.91Å; N174-R177 WeakPolarHBondContact OD1-CD 3.44Å
175	F	98.3	Very high	97.4	Very high	16 Å²	16	54.1 Å²	54.1	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-57.3	-38.2	170	178.2	-91.2	0	0	0	111.3	F171 V172 R177 L178 Q183 L186 L207 V209	F171-F175 HydrophobicContact CD1-CB 4.48Å; F171-F175 HydrophobicContact CE1-CB 4.42Å; F171-F175 HydrophobicContact CE1-CD2 4.41Å; F171-F175 WeakPolarHBondContact O-CB 3.37Å; F171-F175 PolarHBondContact O-N 2.81Å; V172-F175 PolarHBondContact O-N 2.88Å; F175-R177 PolarHBondContact O-N 3.02Å; F175-R177 VanDerWaalsContact O-N 3.11Å; F175-L178 HydrophobicContact CD2-CD1 3.87Å; F175-L178 HydrophobicContact CE2-CD1 4.42Å; F175-L178 HydrophobicContact CG-CD1 4.4Å; F175-L178 VanDerWaalsContact O-CB 3.31Å; F175-L178 WeakPolarHBondContact O-CB 3.46Å; F175-L178 WeakPolarHBondContact O-CG 3.5Å; F175-L178 PolarHBondContact O-N 2.79Å; F175-Q183 HydrophobicContact CD1-CG 4.34Å; F175-Q183 HydrophobicContact CE1-CB 4.19Å; F175-Q183 HydrophobicContact CE1-CG 3.71Å; F175-Q183 HydrophobicContact CE2-CB 4.31Å; F175-Q183 HydrophobicContact CE2-CG 4.07Å; F175-Q183 HydrophobicContact CZ-CB 3.68Å; F175-Q183 HydrophobicContact CZ-CG 3.56Å; F175-Q183 PolarHBondContact O-NE2 3.29Å; F175-L186 HydrophobicContact CD2-CD2 3.58Å; F175-L186 HydrophobicContact CE2-CB 4.27Å; F175-L186 HydrophobicContact CE2-CD2 3.53Å; F175-L207 HydrophobicContact CB-CD1 4.5Å; F175-L207 HydrophobicContact CB-CD2 4.06Å; F175-L207 HydrophobicContact CD1-CD2 3.7Å; F175-L207 HydrophobicContact CD2-CD1 4.12Å; F175-L207 HydrophobicContact CE1-CB 4.46Å; F175-L207 HydrophobicContact CE1-CD2 4.24Å; F175-L207 HydrophobicContact CG-CD1 4.2Å; F175-L207 HydrophobicContact CG-CD2 3.85Å; F175-L207 HydrophobicContact CZ-CB 4.48Å; F175-V209 HydrophobicContact CE2-CG1 3.79Å; F175-V209 HydrophobicContact CZ-CG1 3.68Å
176	S	97.1	Very high	97.5	Very high	79 Å²	79	50.4 Å²	50.4	55%	0.552	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16	176.9	78.8	0	0	0	0	114.3	V172 L173 N174	V172-S176 PolarHBondContact O-N 3.37Å; L173-S176 WeakPolarHBondContact O-CB 3.3Å; L173-S176 PolarHBondContact O-N 3.42Å; L173-S176 PolarHBondContact O-OG 3.43Å; N174-S176 PolarHBondContact O-N 3.01Å
177	R	97.8	Very high	97.6	Very high	110 Å²	110	47.7 Å²	47.7	42%	0.415	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.4	176.7	-55.9	174.1	57.1	-172.4	-5.9	113.1	D132 V135 N174 F175	D132-R177 IonicContact OD1-CZ 3.18Å; D132-R177 IonicContact OD1-NH1 2.87Å; D132-R177 PolarHBondContact OD1-NH1 3.4Å; D132-R177 IonicContact OD1-NH2 3.71Å; D132-R177 PolarHBondContact OD1-NH2 2.98Å; V135-R177 HydrophobicContact CG2-CB 4.48Å; N174-R177 VanDerWaalsContact O-CB 3.26Å; N174-R177 WeakPolarHBondContact O-CB 3.24Å; N174-R177 PolarHBondContact O-N 2.91Å; N174-R177 WeakPolarHBondContact OD1-CD 3.44Å; F175-R177 PolarHBondContact O-N 3.02Å; F175-R177 VanDerWaalsContact O-N 3.11Å
178	L	98.5	Very high	97.6	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.037	24%	0.238	C	C	.	.	S	Bend	trans	-76.6	146.5	-178.9	-57.8	172	0	0	0	110.4	L123 V135 L138 F175 V182 Q183 L186	L123-L178 HydrophobicContact CD1-CD1 3.9Å; L123-L178 HydrophobicContact CD2-CD1 4.42Å; L123-L178 HydrophobicContact CD2-CD2 4.22Å; L123-L178 HydrophobicContact CD2-CG 4.44Å; V135-L178 HydrophobicContact CB-CD2 4.34Å; V135-L178 HydrophobicContact CG1-CD2 4.25Å; V135-L178 HydrophobicContact CG2-CD2 3.98Å; L138-L178 HydrophobicContact CB-CD2 4.16Å; L138-L178 HydrophobicContact CD1-CD1 4.12Å; L138-L178 HydrophobicContact CD1-CD2 3.74Å; F175-L178 HydrophobicContact CD2-CD1 3.87Å; F175-L178 HydrophobicContact CE2-CD1 4.42Å; F175-L178 HydrophobicContact CG-CD1 4.4Å; F175-L178 VanDerWaalsContact O-CB 3.31Å; F175-L178 WeakPolarHBondContact O-CB 3.46Å; F175-L178 WeakPolarHBondContact O-CG 3.5Å; F175-L178 PolarHBondContact O-N 2.79Å; L178-V182 HydrophobicContact CB-CB 4.07Å; L178-V182 HydrophobicContact CB-CG1 4.06Å; L178-V182 HydrophobicContact CD1-CG1 3.82Å; L178-V182 HydrophobicContact CD2-CG1 4.19Å; L178-V182 HydrophobicContact CG-CG1 4.24Å; L178-Q183 HydrophobicContact CB-CG 4Å; L178-Q183 PolarHBondContact O-NE2 3.22Å; L178-L186 HydrophobicContact CD1-CD2 4.18Å
179	S	98.2	Very high	97.5	Very high	40 Å²	40	46.7 Å²	46.7	28%	0.28	23%	0.233	S	C	.	.			trans	-62.2	157.1	171.8	75.1	0	0	0	0	111.2	E139 S181 V182 Q183	E139-S179 WeakPolarHBondContact OE1-CB 3.44Å; E139-S179 PolarHBondContact OE1-N 3.34Å; E139-S179 PolarHBondContact OE1-OG 2.71Å; E139-S179 WeakPolarHBondContact OE2-CB 3.37Å; E139-S179 PolarHBondContact OE2-OG 3.35Å; S179-S181 PolarHBondContact O-N 2.89Å; S179-V182 PolarHBondContact O-N 3.31Å; S179-V182 VanDerWaalsContact O-N 3.08Å; S179-V182 PolarHBondContact OG-N 3.11Å; S179-Q183 WeakPolarHBondContact O-CG 3.38Å; S179-Q183 PolarHBondContact O-N 3.25Å
180	K	97.6	Very high	97.3	Very high	133 Å²	133	40.4 Å²	40.4	58%	0.578	20%	0.204	S	C	*	.	H	α-helix	trans	-57.1	-33.6	175.7	-173.1	52.2	169.7	162	0	111.9	V182 Q183 D184	K180-V182 VanDerWaalsContact C-N 3.34Å; K180-V182 PolarHBondContact O-N 3.13Å; K180-Q183 PolarHBondContact O-N 3.07Å; K180-D184 WeakPolarHBondContact CD-OD1 3.32Å; K180-D184 WeakPolarHBondContact CE-OD1 3.05Å; K180-D184 WeakPolarHBondContact CE-OD2 3.45Å; K180-D184 WeakPolarHBondContact CG-OD2 3.35Å; K180-D184 IonicContact NZ-OD1 3.96Å; K180-D184 PolarHBondContact NZ-OD1 2.85Å; K180-D184 IonicContact NZ-OD2 3.93Å; K180-D184 WeakPolarHBondContact O-CB 3.47Å; K180-D184 VanDerWaalsContact O-CG 3.22Å; K180-D184 PolarHBondContact O-N 3.04Å
181	S	97.3	Very high	97	Very high	21 Å²	21	38.7 Å²	38.7	15%	0.147	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-38.8	177.6	-170.1	0	0	0	0	113.1	E146 S179 R185	E146-S181 VanDerWaalsContact OE1-CB 3.28Å; E146-S181 WeakPolarHBondContact OE1-CB 3.32Å; E146-S181 PolarHBondContact OE1-OG 3.18Å; S179-S181 PolarHBondContact O-N 2.89Å; S181-R185 PolarHBondContact O-NH1 3.01Å; S181-R185 PolarHBondContact OG-NH1 3.19Å
182	V	98.3	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.9	-51.2	172	177.2	0	0	0	0	110.3	L138 E139 A142 L178 S179 K180 D184 R185 L186	L138-V182 HydrophobicContact CB-CG1 3.87Å; L138-V182 HydrophobicContact CB-CG2 4.29Å; L138-V182 HydrophobicContact CD1-CG1 4.47Å; L138-V182 WeakPolarHBondContact O-CG2 3.48Å; E139-V182 HydrophobicContact CG-CG2 4.49Å; A142-V182 HydrophobicContact CB-CB 4.48Å; A142-V182 HydrophobicContact CB-CG2 3.55Å; L178-V182 HydrophobicContact CB-CB 4.07Å; L178-V182 HydrophobicContact CB-CG1 4.06Å; L178-V182 HydrophobicContact CD1-CG1 3.82Å; L178-V182 HydrophobicContact CD2-CG1 4.19Å; L178-V182 HydrophobicContact CG-CG1 4.24Å; S179-V182 PolarHBondContact O-N 3.31Å; S179-V182 VanDerWaalsContact O-N 3.08Å; S179-V182 PolarHBondContact OG-N 3.11Å; K180-V182 VanDerWaalsContact C-N 3.34Å; K180-V182 PolarHBondContact O-N 3.13Å; V182-D184 VanDerWaalsContact C-N 3.25Å; V182-D184 PolarHBondContact O-N 3.2Å; V182-R185 PolarHBondContact O-N 3.05Å; V182-L186 HydrophobicContact CG1-CD1 4.28Å; V182-L186 WeakPolarHBondContact O-CB 3.4Å; V182-L186 PolarHBondContact O-N 3.17Å
183	Q	98	Very high	95.7	Very high	48 Å²	48	45 Å²	45	22%	0.224	22%	0.223	C	C	.	.	H	α-helix	trans	-56.1	-39.6	-176	-67.2	-178	17.3	0	0	112.5	F175 L178 S179 K180 R185	F175-Q183 HydrophobicContact CD1-CG 4.34Å; F175-Q183 HydrophobicContact CE1-CB 4.19Å; F175-Q183 HydrophobicContact CE1-CG 3.71Å; F175-Q183 HydrophobicContact CE2-CB 4.31Å; F175-Q183 HydrophobicContact CE2-CG 4.07Å; F175-Q183 HydrophobicContact CZ-CB 3.68Å; F175-Q183 HydrophobicContact CZ-CG 3.56Å; F175-Q183 PolarHBondContact O-NE2 3.29Å; L178-Q183 HydrophobicContact CB-CG 4Å; L178-Q183 PolarHBondContact O-NE2 3.22Å; S179-Q183 WeakPolarHBondContact O-CG 3.38Å; S179-Q183 PolarHBondContact O-N 3.25Å; K180-Q183 PolarHBondContact O-N 3.07Å; Q183-R185 PolarHBondContact O-N 2.74Å
184	D	96.6	Very high	95.3	Very high	101 Å²	101	42.8 Å²	42.8	54%	0.54	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.2	-179.6	-72.7	-17.9	0	0	0	114.2	K180 V182	K180-D184 WeakPolarHBondContact CD-OD1 3.32Å; K180-D184 WeakPolarHBondContact CE-OD1 3.05Å; K180-D184 WeakPolarHBondContact CE-OD2 3.45Å; K180-D184 WeakPolarHBondContact CG-OD2 3.35Å; K180-D184 IonicContact NZ-OD1 3.96Å; K180-D184 PolarHBondContact NZ-OD1 2.85Å; K180-D184 IonicContact NZ-OD2 3.93Å; K180-D184 WeakPolarHBondContact O-CB 3.47Å; K180-D184 VanDerWaalsContact O-CG 3.22Å; K180-D184 PolarHBondContact O-N 3.04Å; V182-D184 VanDerWaalsContact C-N 3.25Å; V182-D184 PolarHBondContact O-N 3.2Å
185	R	97.2	Very high	95	Very high	53 Å²	53	42.1 Å²	42.1	20%	0.2	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-13.4	-179.2	-65.2	179.1	178.3	80.1	-3.6	113.2	A150 V152 I153 S181 V182 Q183 T187	A150-R185 WeakPolarHBondContact O-CD 3.4Å; A150-R185 PolarHBondContact O-NE 3.44Å; A150-R185 VanDerWaalsContact O-NE 3.11Å; V152-R185 CarbonylContact C-O 3.57Å; V152-R185 WeakPolarHBondContact CA-O 3.46Å; I153-R185 HydrophobicContact CD1-CB 4.08Å; I153-R185 HydrophobicContact CG1-CB 4.08Å; I153-R185 PolarHBondContact N-O 2.98Å; S181-R185 PolarHBondContact O-NH1 3.01Å; S181-R185 PolarHBondContact OG-NH1 3.19Å; V182-R185 PolarHBondContact O-N 3.05Å; Q183-R185 PolarHBondContact O-N 2.74Å; R185-T187 PolarHBondContact O-N 3.44Å
186	L	97.4	Very high	94.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.6	-174.9	-160.7	76.6	0	0	0	109.6	L138 I153 I155 F171 F175 L178 V182 L188 V209	L138-L186 HydrophobicContact CD1-CD1 4.42Å; L138-L186 HydrophobicContact CD2-CD1 3.87Å; I153-L186 HydrophobicContact CG2-CD1 4.3Å; I153-L186 WeakPolarHBondContact O-CA 3.19Å; I155-L186 HydrophobicContact CD1-CD1 3.9Å; I155-L186 HydrophobicContact CD1-CD2 4.2Å; I155-L186 HydrophobicContact CD1-CG 4.41Å; I155-L186 HydrophobicContact CG1-CD1 4.01Å; I155-L186 HydrophobicContact CG1-CG 4.41Å; F171-L186 HydrophobicContact CZ-CD2 4.44Å; F175-L186 HydrophobicContact CD2-CD2 3.58Å; F175-L186 HydrophobicContact CE2-CB 4.27Å; F175-L186 HydrophobicContact CE2-CD2 3.53Å; L178-L186 HydrophobicContact CD1-CD2 4.18Å; V182-L186 HydrophobicContact CG1-CD1 4.28Å; V182-L186 WeakPolarHBondContact O-CB 3.4Å; V182-L186 PolarHBondContact O-N 3.17Å; L186-L188 HydrophobicContact CD2-CD2 4.27Å; L186-V209 WeakPolarHBondContact O-CB 3.34Å
187	T	97	Very high	94.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.3	169.7	67.8	0	0	0	0	109.3	V152 I153 N154 I155 R185 P210 V212	V152-T187 HydrophobicContact CB-CG2 4.45Å; V152-T187 HydrophobicContact CG1-CG2 3.83Å; V152-T187 WeakPolarHBondContact CG1-OG1 3.26Å; V152-T187 HydrophobicContact CG2-CG2 4.13Å; I153-T187 PolarHBondContact O-N 3.22Å; N154-T187 WeakPolarHBondContact CA-O 3.4Å; N154-T187 VanDerWaalsContact CA-OG1 3.29Å; N154-T187 WeakPolarHBondContact CA-OG1 3.49Å; N154-T187 VanDerWaalsContact CB-OG1 3.27Å; N154-T187 WeakPolarHBondContact CB-OG1 3.26Å; N154-T187 PolarHBondContact OD1-O 3.42Å; N154-T187 PolarHBondContact OD1-OG1 2.75Å; I155-T187 PolarHBondContact N-O 3.22Å; R185-T187 PolarHBondContact O-N 3.44Å; T187-P210 WeakPolarHBondContact CA-O 3.44Å; T187-P210 HydrophobicContact CG2-CB 3.82Å; T187-P210 HydrophobicContact CG2-CG 4.01Å; T187-V212 HydrophobicContact CG2-CG2 4.43Å; T187-V212 VanDerWaalsContact OG1-CG2 3.27Å; T187-V212 WeakPolarHBondContact OG1-CG2 3.29Å
188	L	96.7	Very high	94.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.3	-179.5	-52.7	-178.7	0	0	0	111.1	I155 F171 L186 V200 L203 L207 V209 P210 F211 V212	I155-L188 HydrophobicContact CD1-CD2 4.31Å; I155-L188 HydrophobicContact CG1-CD2 3.85Å; I155-L188 CarbonylContact O-C 3.54Å; I155-L188 WeakPolarHBondContact O-CA 3.27Å; F171-L188 HydrophobicContact CE1-CD1 4.14Å; F171-L188 HydrophobicContact CE1-CD2 3.99Å; F171-L188 HydrophobicContact CE2-CD2 4.28Å; F171-L188 HydrophobicContact CZ-CD1 4.29Å; F171-L188 HydrophobicContact CZ-CD2 3.43Å; F171-L188 VanDerWaalsContact CZ-CD2 3.43Å; L186-L188 HydrophobicContact CD2-CD2 4.27Å; L188-V200 HydrophobicContact CB-CG1 3.53Å; L188-L203 HydrophobicContact CD1-CB 4.28Å; L188-L203 HydrophobicContact CD1-CD2 3.71Å; L188-L203 HydrophobicContact CD1-CG 3.75Å; L188-L207 HydrophobicContact CD1-CD1 4.16Å; L188-V209 HydrophobicContact CD1-CG2 4.11Å; L188-V209 HydrophobicContact CG-CG2 4Å; L188-P210 PolarHBondContact N-O 2.93Å; L188-F211 VanDerWaalsContact O-CD2 3.32Å; L188-F211 WeakPolarHBondContact O-CD2 3.43Å; L188-V212 PolarHBondContact O-N 2.97Å
189	E	94.4	Very high	93.9	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.9	178.7	-169.5	-171.2	130.5	0	0	111.8	H116 N154 I155 H156 V212 D214 H217	H116-E189 IonicContact CD2-OE2 3.6Å; H116-E189 IonicContact NE2-OE2 3.14Å; H116-E189 PolarHBondContact NE2-OE2 3.43Å; N154-E189 WeakPolarHBondContact ND2-CB 3.23Å; N154-E189 PolarHBondContact ND2-OE2 3.06Å; I155-E189 PolarHBondContact O-N 2.67Å; H156-E189 IonicContact CE1-OE1 3.98Å; H156-E189 PolarHBondContact CE1-OE1 3.09Å; H156-E189 VanDerWaalsContact CE1-OE1 3.29Å; H156-E189 PolarHBondContact ND1-O 3.06Å; E189-V212 VanDerWaalsContact CA-O 3.28Å; E189-V212 WeakPolarHBondContact CA-O 3.44Å; E189-V212 HydrophobicContact CB-CB 4.16Å; E189-V212 HydrophobicContact CG-CB 4.32Å; E189-V212 HydrophobicContact CG-CG1 4.21Å; E189-V212 WeakPolarHBondContact CG-O 3.44Å; E189-D214 HydrophobicContact CG-CB 3.84Å; E189-D214 VanDerWaalsContact OE1-CB 3.24Å; E189-D214 WeakPolarHBondContact OE1-CB 3.48Å; E189-H217 IonicContact OE1-CE1 3.41Å; E189-H217 PolarHBondContact OE1-CE1 3.25Å; E189-H217 IonicContact OE1-ND1 3.76Å; E189-H217 PolarHBondContact OE1-ND1 3.49Å; E189-H217 VanDerWaalsContact OE1-ND1 3.14Å
190	N	93.5	Very high	93.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.			trans	-64.4	148.4	170.6	66.9	-78.9	0	0	0	111.3	P197 V200 F211 Y213 D214 H217 H218	N190-P197 HydrophobicContact CB-CG 4.18Å; N190-V200 HydrophobicContact CB-CG2 4.19Å; N190-F211 HydrophobicContact CB-CE2 4.09Å; N190-F211 HydrophobicContact CB-CZ 4.18Å; N190-Y213 WeakPolarHBondContact OD1-CA 3.39Å; N190-D214 PolarHBondContact ND2-O 3.45Å; N190-D214 VanDerWaalsContact ND2-O 3.09Å; N190-D214 PolarHBondContact OD1-N 2.95Å; N190-H217 PolarHBondContact O-ND1 3.01Å; N190-H218 PolarHBondContact ND2-N 2.97Å
191	D	91	Very high	93.5	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.07	15%	0.146	C	C	.	.			trans	-115.7	176.2	179.5	73.1	68.2	0	0	0	111.8	K193 Q194 Y195	D191-K193 WeakPolarHBondContact OD1-CA 3.19Å; D191-K193 PolarHBondContact OD1-N 3.33Å; D191-Q194 PolarHBondContact OD1-N 3.36Å; D191-Y195 PolarHBondContact N-O 3.48Å; D191-Y195 VanDerWaalsContact N-O 3.16Å; D191-Y195 PolarHBondContact OD1-N 3.47Å; D191-Y195 WeakPolarHBondContact OD2-CD2 3.47Å; D191-Y195 PolarHBondContact OD2-N 3.48Å
192	D	84.3	Confident	93.3	Very high	29 Å²	29	35.1 Å²	35.1	16%	0.155	17%	0.166	C	C	.	.	S	Bend	trans	-89.6	3.2	-173.3	69.7	-35.7	0	0	0	114.2	H217 Q220 K224	D192-H217 HydrophobicContact CB-CB 4.28Å; D192-Q220 HydrophobicContact CB-CB 3.9Å; D192-Q220 PolarHBondContact OD2-OE1 3.18Å; D192-K224 PolarHBondContact O-NZ 3.18Å
193	K	85.1	Confident	93.2	Very high	157 Å²	157	35.3 Å²	35.3	68%	0.683	17%	0.167	S	C	*	.	S	Bend	trans	-139.1	-43.5	-164.8	-72.9	168.4	-167.7	172.7	0	115.7	D191	D191-K193 WeakPolarHBondContact OD1-CA 3.19Å; D191-K193 PolarHBondContact OD1-N 3.33Å
194	Q	89.3	Confident	93.1	Very high	69 Å²	69	33.1 Å²	33.1	32%	0.322	16%	0.157	S	C	.	.	S	Bend	trans	-121.4	-48.3	-160.6	-70.1	-168.4	1.7	0	0	112.5	G158 V160 K164 D191	G158-Q194 PolarHBondContact O-OE1 3.48Å; V160-Q194 HydrophobicContact CG1-CB 3.86Å; V160-Q194 HydrophobicContact CG1-CG 4.07Å; V160-Q194 VanDerWaalsContact N-OE1 3.1Å; K164-Q194 WeakPolarHBondContact CE-O 3.03Å; K164-Q194 PolarHBondContact NZ-O 3.48Å; D191-Q194 PolarHBondContact OD1-N 3.36Å
195	Y	92.1	Very high	93	Very high	2 Å²	2	35 Å²	35	1%	0.008	16%	0.162	C	C	.	.			trans	-119.6	108.9	-176	-61.8	-84.2	0	0	0	111.1	N124 V157 G159 V160 K164 A167 M168 D191 D199	N124-Y195 PolarHBondContact ND2-OH 2.98Å; N124-Y195 VanDerWaalsContact ND2-OH 3.08Å; V157-Y195 HydrophobicContact CB-CD1 4.09Å; V157-Y195 HydrophobicContact CB-CD2 3.64Å; V157-Y195 HydrophobicContact CB-CE1 4.25Å; V157-Y195 HydrophobicContact CB-CE2 3.82Å; V157-Y195 HydrophobicContact CB-CG 3.78Å; V157-Y195 HydrophobicContact CG1-CD1 3.96Å; V157-Y195 HydrophobicContact CG1-CD2 4.09Å; V157-Y195 HydrophobicContact CG1-CE1 3.68Å; V157-Y195 HydrophobicContact CG1-CE2 3.82Å; V157-Y195 HydrophobicContact CG1-CG 4.14Å; V157-Y195 HydrophobicContact CG2-CD1 4.28Å; V157-Y195 HydrophobicContact CG2-CD2 4.34Å; V157-Y195 HydrophobicContact CG2-CG 4.02Å; G159-Y195 PolarHBondContact O-OH 3.33Å; V160-Y195 HydrophobicContact CG1-CE2 4.11Å; K164-Y195 HydrophobicContact CD-CD1 4.44Å; K164-Y195 HydrophobicContact CD-CE1 4.37Å; K164-Y195 HydrophobicContact CG-CD1 4.3Å; K164-Y195 HydrophobicContact CG-CE1 3.75Å; A167-Y195 VanDerWaalsContact CB-OH 3.31Å; A167-Y195 WeakPolarHBondContact CB-OH 3.48Å; M168-Y195 HydrophobicContact CG-CE1 3.85Å; M168-Y195 HydrophobicContact SD-CE1 4.4Å; D191-Y195 PolarHBondContact N-O 3.48Å; D191-Y195 VanDerWaalsContact N-O 3.16Å; D191-Y195 PolarHBondContact OD1-N 3.47Å; D191-Y195 WeakPolarHBondContact OD2-CD2 3.47Å; D191-Y195 PolarHBondContact OD2-N 3.48Å; Y195-D199 HydrophobicContact CD1-CB 4.15Å
196	C	91.5	Very high	92.9	Very high	11 Å²	11	36.6 Å²	36.6	7%	0.074	18%	0.178	C	C	.	.			trans	-72.2	168.3	177.6	76.1	0	0	0	0	111.1	E198 D199 V200 E221 C227	C196-E198 PolarHBondContact O-N 2.91Å; C196-E198 PolarHBondContact SG-N 3.43Å; C196-E198 VanDerWaalsContact SG-N 3.43Å; C196-D199 PolarHBondContact N-OD2 3.29Å; C196-D199 PolarHBondContact O-N 2.89Å; C196-D199 PolarHBondContact SG-N 3.04Å; C196-D199 PolarHBondContact SG-OD2 3.09Å; C196-V200 WeakPolarHBondContact O-CG2 3.27Å; C196-V200 PolarHBondContact O-N 3.14Å; C196-V200 VanDerWaalsContact O-N 3.09Å; C196-E221 WeakPolarHBondContact CA-OE2 3.28Å; C196-E221 VanDerWaalsContact CB-CD 3.49Å; C196-E221 WeakPolarHBondContact CB-OE1 3.24Å; C196-C227 HydrophobicContact CB-CB 4.22Å; C196-C227 VanDerWaalsContact SG-SG 3.69Å
197	P	90.7	Very high	92.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-53.5	-36.5	174.2	-28.4	35.5	0	0	0	114.2	N190 L201 F211 Y213 H218 E221 I233	N190-P197 HydrophobicContact CB-CG 4.18Å; P197-L201 WeakPolarHBondContact O-CB 3.45Å; P197-L201 PolarHBondContact O-N 3.1Å; P197-F211 HydrophobicContact CB-CE1 4.32Å; P197-F211 HydrophobicContact CB-CZ 3.96Å; P197-Y213 HydrophobicContact CB-CD2 4.48Å; P197-Y213 HydrophobicContact CB-CE2 4.41Å; P197-Y213 HydrophobicContact CG-CD2 4.27Å; P197-Y213 HydrophobicContact CG-CE2 3.89Å; P197-H218 HydrophobicContact CG-CB 4.16Å; P197-E221 VanDerWaalsContact CD-OE2 3.27Å; P197-E221 WeakPolarHBondContact CD-OE2 3.27Å; P197-I233 HydrophobicContact CB-CD1 3.73Å; P197-I233 HydrophobicContact CB-CG1 4.23Å; P197-I233 HydrophobicContact CG-CD1 4.3Å
198	E	91.2	Very high	92.8	Very high	98 Å²	98	41 Å²	41	46%	0.458	22%	0.218	S	C	.	.	H	α-helix	trans	-67.7	-45.4	178.8	-177.1	172.9	-172.1	0	0	112	C196 V200 L201 Q202 L232	C196-E198 PolarHBondContact O-N 2.91Å; C196-E198 PolarHBondContact SG-N 3.43Å; C196-E198 VanDerWaalsContact SG-N 3.43Å; E198-V200 PolarHBondContact O-N 3.09Å; E198-L201 PolarHBondContact O-N 3.48Å; E198-Q202 PolarHBondContact O-N 3.38Å; E198-L232 HydrophobicContact CB-CD2 4.3Å; E198-L232 HydrophobicContact CG-CD2 3.8Å
199	D	93.5	Very high	92.7	Very high	25 Å²	25	41.3 Å²	41.3	13%	0.134	22%	0.219	C	C	.	.	H	α-helix	trans	-56.8	-49.6	175.8	-62.8	-48.4	0	0	0	110.8	K164 M168 Y195 C196 Q202 L203	K164-D199 IonicContact NZ-OD1 3.36Å; K164-D199 IonicContact NZ-OD2 2.67Å; K164-D199 PolarHBondContact NZ-OD2 3.02Å; M168-D199 WeakPolarHBondContact CE-O 3.23Å; Y195-D199 HydrophobicContact CD1-CB 4.15Å; C196-D199 PolarHBondContact N-OD2 3.29Å; C196-D199 PolarHBondContact O-N 2.89Å; C196-D199 PolarHBondContact SG-N 3.04Å; C196-D199 PolarHBondContact SG-OD2 3.09Å; D199-Q202 PolarHBondContact O-N 3.17Å; D199-L203 PolarHBondContact O-N 2.85Å
200	V	94.7	Very high	92.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-40	-177.5	-178.1	0	0	0	0	110.9	V157 L188 N190 C196 E198 Q202 L203 C204 F211	V157-V200 HydrophobicContact CG2-CG2 3.82Å; L188-V200 HydrophobicContact CB-CG1 3.53Å; N190-V200 HydrophobicContact CB-CG2 4.19Å; C196-V200 WeakPolarHBondContact O-CG2 3.27Å; C196-V200 PolarHBondContact O-N 3.14Å; C196-V200 VanDerWaalsContact O-N 3.09Å; E198-V200 PolarHBondContact O-N 3.09Å; V200-Q202 PolarHBondContact O-N 2.86Å; V200-L203 WeakPolarHBondContact O-CB 3.5Å; V200-L203 PolarHBondContact O-N 2.69Å; V200-C204 WeakPolarHBondContact O-CB 3.28Å; V200-C204 PolarHBondContact O-N 3.33Å; V200-C204 PolarHBondContact O-SG 2.98Å; V200-F211 HydrophobicContact CB-CD2 4.2Å; V200-F211 HydrophobicContact CB-CE2 3.89Å; V200-F211 HydrophobicContact CG1-CD2 3.56Å; V200-F211 HydrophobicContact CG1-CE2 3.65Å
201	L	93.4	Very high	92.8	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-39.7	179.7	-175.2	61.2	0	0	0	112	P197 E198 L203 C204 H205 F211 L236 V238	P197-L201 WeakPolarHBondContact O-CB 3.45Å; P197-L201 PolarHBondContact O-N 3.1Å; E198-L201 PolarHBondContact O-N 3.48Å; L201-L203 VanDerWaalsContact C-N 3.32Å; L201-L203 PolarHBondContact O-N 2.77Å; L201-C204 PolarHBondContact O-N 2.96Å; L201-H205 PolarHBondContact O-N 3.19Å; L201-F211 HydrophobicContact CD1-CB 4.25Å; L201-F211 HydrophobicContact CD1-CD1 4.06Å; L201-F211 HydrophobicContact CD1-CG 4.37Å; L201-L236 HydrophobicContact CD1-CB 4.45Å; L201-L236 HydrophobicContact CD1-CD1 3.89Å; L201-L236 HydrophobicContact CD2-CB 4.49Å; L201-L236 HydrophobicContact CD2-CD1 3.29Å; L201-L236 HydrophobicContact CD2-CG 4.03Å; L201-L236 HydrophobicContact CG-CD1 3.39Å; L201-L236 HydrophobicContact CG-CG 4.47Å; L201-V238 HydrophobicContact CD1-CB 4.31Å; L201-V238 HydrophobicContact CD1-CG2 4Å
202	Q	94	Very high	92.8	Very high	123 Å²	123	43 Å²	43	58%	0.575	23%	0.231	S	C	*	.	H	α-helix	trans	-60.7	-42.2	172.3	-177.9	-179.8	-4.2	0	0	111.7	E198 D199 V200 H205 T206	E198-Q202 PolarHBondContact O-N 3.38Å; D199-Q202 PolarHBondContact O-N 3.17Å; V200-Q202 PolarHBondContact O-N 2.86Å; Q202-H205 PolarHBondContact O-N 3.47Å; Q202-T206 PolarHBondContact O-N 3.1Å; Q202-T206 VanDerWaalsContact O-N 3.08Å; Q202-T206 PolarHBondContact O-OG1 3.14Å
203	L	95.2	Very high	93.2	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-43.7	177.2	-173.3	57.9	0	0	0	111.7	V157 M168 F171 V172 L188 D199 V200 L201 H205 T206 L207	V157-L203 HydrophobicContact CG1-CD2 3.84Å; V157-L203 HydrophobicContact CG2-CD2 3.89Å; M168-L203 HydrophobicContact CE-CB 3.94Å; F171-L203 HydrophobicContact CB-CD2 4.28Å; F171-L203 HydrophobicContact CD1-CD1 4.24Å; F171-L203 HydrophobicContact CD1-CD2 3.82Å; F171-L203 HydrophobicContact CD1-CG 4.32Å; F171-L203 HydrophobicContact CD2-CD2 4.45Å; F171-L203 HydrophobicContact CE1-CD2 4.29Å; F171-L203 HydrophobicContact CG-CD2 3.93Å; V172-L203 HydrophobicContact CG2-CD1 3.54Å; L188-L203 HydrophobicContact CD1-CB 4.28Å; L188-L203 HydrophobicContact CD1-CD2 3.71Å; L188-L203 HydrophobicContact CD1-CG 3.75Å; D199-L203 PolarHBondContact O-N 2.85Å; V200-L203 WeakPolarHBondContact O-CB 3.5Å; V200-L203 PolarHBondContact O-N 2.69Å; L201-L203 VanDerWaalsContact C-N 3.32Å; L201-L203 PolarHBondContact O-N 2.77Å; L203-H205 VanDerWaalsContact C-N 3.33Å; L203-H205 PolarHBondContact O-N 2.73Å; L203-T206 WeakPolarHBondContact O-CB 3.42Å; L203-T206 PolarHBondContact O-N 3.4Å; L203-T206 VanDerWaalsContact O-N 3.15Å; L203-L207 HydrophobicContact CD1-CD1 3.93Å; L203-L207 HydrophobicContact CD1-CG 4.2Å; L203-L207 HydrophobicContact CG-CD1 3.92Å; L203-L207 WeakPolarHBondContact O-CG 3.07Å; L203-L207 PolarHBondContact O-N 3.28Å
204	C	96.1	Very high	93.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-56.3	-46	174.6	-75.9	0	0	0	0	112	V200 L201 T206 L207 G208 V209 F211	V200-C204 WeakPolarHBondContact O-CB 3.28Å; V200-C204 PolarHBondContact O-N 3.33Å; V200-C204 PolarHBondContact O-SG 2.98Å; L201-C204 PolarHBondContact O-N 2.96Å; C204-T206 VanDerWaalsContact C-N 3.34Å; C204-T206 PolarHBondContact O-N 3.27Å; C204-L207 PolarHBondContact O-N 3.36Å; C204-G208 WeakPolarHBondContact O-CA 3.41Å; C204-G208 PolarHBondContact O-N 2.91Å; C204-V209 HydrophobicContact CB-CG2 4.32Å; C204-V209 VanDerWaalsContact CB-O 3.27Å; C204-V209 WeakPolarHBondContact CB-O 3.21Å; C204-V209 PolarHBondContact O-N 3.42Å; C204-V209 VanDerWaalsContact O-N 3.11Å; C204-F211 HydrophobicContact CB-CB 4.38Å
205	H	94.4	Very high	93.1	Very high	141 Å²	141	32.7 Å²	32.7	65%	0.653	19%	0.185	S	C	*	.	H	α-helix	trans	-61.1	-42.6	176	-179.1	-86.2	0	0	0	111.9	L201 Q202 L203 L207	L201-H205 PolarHBondContact O-N 3.19Å; Q202-H205 PolarHBondContact O-N 3.47Å; L203-H205 VanDerWaalsContact C-N 3.33Å; L203-H205 PolarHBondContact O-N 2.73Å; H205-L207 VanDerWaalsContact C-N 3.33Å; H205-L207 PolarHBondContact O-N 3.2Å
206	T	95.6	Very high	92.4	Very high	87 Å²	87	34.3 Å²	34.3	53%	0.534	19%	0.192	S	C	.	.	H	α-helix	trans	-63.3	-38.4	178.9	-57.9	0	0	0	0	112.3	V172 Q202 L203 C204	V172-T206 HydrophobicContact CG2-CG2 4.17Å; Q202-T206 PolarHBondContact O-N 3.1Å; Q202-T206 VanDerWaalsContact O-N 3.08Å; Q202-T206 PolarHBondContact O-OG1 3.14Å; L203-T206 WeakPolarHBondContact O-CB 3.42Å; L203-T206 PolarHBondContact O-N 3.4Å; L203-T206 VanDerWaalsContact O-N 3.15Å; C204-T206 VanDerWaalsContact C-N 3.34Å; C204-T206 PolarHBondContact O-N 3.27Å
207	L	96.5	Very high	91.8	Very high	28 Å²	28	35.3 Å²	35.3	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-91.1	-15.6	-176.4	-63	176	0	0	0	113.8	F171 V172 F175 L188 L203 C204 H205 V209	F171-L207 HydrophobicContact CD1-CD1 3.76Å; F171-L207 HydrophobicContact CE1-CD1 3.56Å; V172-L207 HydrophobicContact CB-CD2 4.26Å; V172-L207 HydrophobicContact CG1-CD2 4.06Å; V172-L207 HydrophobicContact CG2-CD2 4.01Å; F175-L207 HydrophobicContact CB-CD1 4.5Å; F175-L207 HydrophobicContact CB-CD2 4.06Å; F175-L207 HydrophobicContact CD1-CD2 3.7Å; F175-L207 HydrophobicContact CD2-CD1 4.12Å; F175-L207 HydrophobicContact CE1-CB 4.46Å; F175-L207 HydrophobicContact CE1-CD2 4.24Å; F175-L207 HydrophobicContact CG-CD1 4.2Å; F175-L207 HydrophobicContact CG-CD2 3.85Å; F175-L207 HydrophobicContact CZ-CB 4.48Å; L188-L207 HydrophobicContact CD1-CD1 4.16Å; L203-L207 HydrophobicContact CD1-CD1 3.93Å; L203-L207 HydrophobicContact CD1-CG 4.2Å; L203-L207 HydrophobicContact CG-CD1 3.92Å; L203-L207 WeakPolarHBondContact O-CG 3.07Å; L203-L207 PolarHBondContact O-N 3.28Å; C204-L207 PolarHBondContact O-N 3.36Å; H205-L207 VanDerWaalsContact C-N 3.33Å; H205-L207 PolarHBondContact O-N 3.2Å; L207-V209 HydrophobicContact CB-CG1 4.13Å; L207-V209 HydrophobicContact CB-CG2 4Å; L207-V209 HydrophobicContact CD1-CG2 4.41Å
208	G	95.4	Very high	91	Very high	68 Å²	68	35.4 Å²	35.4	70%	0.701	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	31.2	-172.3	0	0	0	0	0	113.4	C204	C204-G208 WeakPolarHBondContact O-CA 3.41Å; C204-G208 PolarHBondContact O-N 2.91Å
209	V	95.3	Very high	90.1	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.036	20%	0.195	C	C	.	.			trans	-109.6	151.8	-179.9	-60.4	0	0	0	0	112.1	F175 L186 L188 C204 L207	F175-V209 HydrophobicContact CE2-CG1 3.79Å; F175-V209 HydrophobicContact CZ-CG1 3.68Å; L186-V209 WeakPolarHBondContact O-CB 3.34Å; L188-V209 HydrophobicContact CD1-CG2 4.11Å; L188-V209 HydrophobicContact CG-CG2 4Å; C204-V209 HydrophobicContact CB-CG2 4.32Å; C204-V209 VanDerWaalsContact CB-O 3.27Å; C204-V209 WeakPolarHBondContact CB-O 3.21Å; C204-V209 PolarHBondContact O-N 3.42Å; C204-V209 VanDerWaalsContact O-N 3.11Å; L207-V209 HydrophobicContact CB-CG1 4.13Å; L207-V209 HydrophobicContact CB-CG2 4Å; L207-V209 HydrophobicContact CD1-CG2 4.41Å
210	P	94.9	Very high	88.9	Confident	41 Å²	41	37.8 Å²	37.8	27%	0.266	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-64.7	149.9	176.2	-22	33.5	0	0	0	113.9	T187 L188 P239	T187-P210 WeakPolarHBondContact CA-O 3.44Å; T187-P210 HydrophobicContact CG2-CB 3.82Å; T187-P210 HydrophobicContact CG2-CG 4.01Å; L188-P210 PolarHBondContact N-O 2.93Å; P210-P239 HydrophobicContact CB-CB 4.34Å; P210-P239 WeakPolarHBondContact CB-O 3Å
211	F	94.3	Very high	87.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.2	173.9	175.1	-136	0	0	0	110.6	L188 N190 P197 V200 L201 C204 Y213 I233 V238 P239 M240 D241	L188-F211 VanDerWaalsContact O-CD2 3.32Å; L188-F211 WeakPolarHBondContact O-CD2 3.43Å; N190-F211 HydrophobicContact CB-CE2 4.09Å; N190-F211 HydrophobicContact CB-CZ 4.18Å; P197-F211 HydrophobicContact CB-CE1 4.32Å; P197-F211 HydrophobicContact CB-CZ 3.96Å; V200-F211 HydrophobicContact CB-CD2 4.2Å; V200-F211 HydrophobicContact CB-CE2 3.89Å; V200-F211 HydrophobicContact CG1-CD2 3.56Å; V200-F211 HydrophobicContact CG1-CE2 3.65Å; L201-F211 HydrophobicContact CD1-CB 4.25Å; L201-F211 HydrophobicContact CD1-CD1 4.06Å; L201-F211 HydrophobicContact CD1-CG 4.37Å; C204-F211 HydrophobicContact CB-CB 4.38Å; F211-Y213 HydrophobicContact CE1-CD2 4.06Å; F211-Y213 HydrophobicContact CE1-CG 4.37Å; F211-Y213 AromaticContact CZ-CD2 3.92Å; F211-Y213 HydrophobicContact CZ-CD2 3.92Å; F211-Y213 HydrophobicContact CZ-CG 4.47Å; F211-I233 HydrophobicContact CE1-CG1 4.46Å; F211-V238 HydrophobicContact CB-CG1 4.04Å; F211-P239 PolarHBondContact N-O 3.05Å; F211-M240 HydrophobicContact CD1-CE 4.43Å; F211-M240 WeakPolarHBondContact O-CA 3.43Å; F211-D241 PolarHBondContact O-N 3.25Å
212	V	92.3	Very high	85.7	Confident	9 Å²	9	41.7 Å²	41.7	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	116.1	170	-177.5	0	0	0	0	108.6	N154 T187 L188 E189 D241 H243	N154-V212 WeakPolarHBondContact OD1-CB 3.45Å; N154-V212 WeakPolarHBondContact OD1-CG2 3.31Å; T187-V212 HydrophobicContact CG2-CG2 4.43Å; T187-V212 VanDerWaalsContact OG1-CG2 3.27Å; T187-V212 WeakPolarHBondContact OG1-CG2 3.29Å; L188-V212 PolarHBondContact O-N 2.97Å; E189-V212 VanDerWaalsContact CA-O 3.28Å; E189-V212 WeakPolarHBondContact CA-O 3.44Å; E189-V212 HydrophobicContact CB-CB 4.16Å; E189-V212 HydrophobicContact CG-CB 4.32Å; E189-V212 HydrophobicContact CG-CG1 4.21Å; E189-V212 WeakPolarHBondContact CG-O 3.44Å; V212-D241 CarbonylContact C-O 3.59Å; V212-D241 WeakPolarHBondContact CA-O 3.25Å; V212-D241 HydrophobicContact CG1-CB 4.34Å; V212-D241 HydrophobicContact CG2-CB 4.16Å; V212-H243 HydrophobicContact CG1-CB 4.49Å
213	Y	91.5	Very high	84	Confident	19 Å²	19	42.9 Å²	42.9	8%	0.075	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.6	-179.8	176	-116.6	0	0	0	110.7	N190 P197 F211 V215 H218 I233 D241 L242 H243	N190-Y213 WeakPolarHBondContact OD1-CA 3.39Å; P197-Y213 HydrophobicContact CB-CD2 4.48Å; P197-Y213 HydrophobicContact CB-CE2 4.41Å; P197-Y213 HydrophobicContact CG-CD2 4.27Å; P197-Y213 HydrophobicContact CG-CE2 3.89Å; F211-Y213 HydrophobicContact CE1-CD2 4.06Å; F211-Y213 HydrophobicContact CE1-CG 4.37Å; F211-Y213 AromaticContact CZ-CD2 3.92Å; F211-Y213 HydrophobicContact CZ-CD2 3.92Å; F211-Y213 HydrophobicContact CZ-CG 4.47Å; Y213-V215 HydrophobicContact CD1-CG2 3.82Å; Y213-V215 HydrophobicContact CE1-CB 4.35Å; Y213-V215 HydrophobicContact CE1-CG2 3.45Å; Y213-V215 VanDerWaalsContact CE1-CG2 3.45Å; Y213-H218 HydrophobicContact CE2-CB 3.75Å; Y213-H218 AromaticContact CE2-CG 3.88Å; Y213-H218 AromaticContact CE2-ND1 3.28Å; Y213-H218 VanDerWaalsContact CE2-ND1 3.28Å; Y213-H218 WeakPolarHBondContact CE2-ND1 3.44Å; Y213-H218 AromaticContact CZ-ND1 3.4Å; Y213-H218 PolarHBondContact OH-ND1 3.19Å; Y213-I233 HydrophobicContact CD2-CD1 3.74Å; Y213-I233 HydrophobicContact CE2-CD1 3.52Å; Y213-I233 HydrophobicContact CG-CD1 4.4Å; Y213-D241 PolarHBondContact N-O 3.06Å; Y213-L242 HydrophobicContact CD1-CD2 3.62Å; Y213-L242 HydrophobicContact CG-CD2 4.39Å; Y213-H243 PolarHBondContact O-N 3.27Å
214	D	88.7	Confident	82.2	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	109.4	169.8	-172.9	-44.5	0	0	0	110.4	E189 N190 H216 H217 H218 H243	E189-D214 HydrophobicContact CG-CB 3.84Å; E189-D214 VanDerWaalsContact OE1-CB 3.24Å; E189-D214 WeakPolarHBondContact OE1-CB 3.48Å; N190-D214 PolarHBondContact ND2-O 3.45Å; N190-D214 VanDerWaalsContact ND2-O 3.09Å; N190-D214 PolarHBondContact OD1-N 2.95Å; D214-H216 VanDerWaalsContact C-N 3.28Å; D214-H216 PolarHBondContact O-N 3.08Å; D214-H216 VanDerWaalsContact OD1-CA 3.27Å; D214-H216 WeakPolarHBondContact OD1-CA 3.47Å; D214-H216 VanDerWaalsContact OD1-CB 3.23Å; D214-H216 WeakPolarHBondContact OD1-CB 3.41Å; D214-H216 PolarHBondContact OD1-N 3.47Å; D214-H217 HydrophobicContact CB-CB 4.01Å; D214-H217 PolarHBondContact O-N 3.03Å; D214-H217 IonicContact OD1-CG 2.7Å; D214-H217 PolarHBondContact OD1-N 2.95Å; D214-H217 IonicContact OD2-CE1 3.82Å; D214-H217 IonicContact OD2-CG 3.86Å; D214-H217 IonicContact OD2-ND1 3.47Å; D214-H218 PolarHBondContact O-N 2.81Å; D214-H218 VanDerWaalsContact O-N 3.1Å; D214-H243 HydrophobicContact CB-CB 4.17Å; D214-H243 IonicContact OD2-CD2 2.71Å; D214-H243 PolarHBondContact OD2-CD2 2.7Å; D214-H243 IonicContact OD2-CG 2.69Å
215	V	83.5	Confident	80.3	Confident	18 Å²	18	55.2 Å²	55.2	11%	0.109	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-31.8	-179.4	175	0	0	0	0	112.2	Y213 R219 H243 F244	Y213-V215 HydrophobicContact CD1-CG2 3.82Å; Y213-V215 HydrophobicContact CE1-CB 4.35Å; Y213-V215 HydrophobicContact CE1-CG2 3.45Å; Y213-V215 VanDerWaalsContact CE1-CG2 3.45Å; V215-R219 WeakPolarHBondContact O-CB 3.21Å; V215-R219 WeakPolarHBondContact O-CG 3.22Å; V215-R219 PolarHBondContact O-N 3.2Å; V215-H243 PolarHBondContact N-O 2.82Å; V215-F244 HydrophobicContact CB-CD1 4.26Å; V215-F244 HydrophobicContact CB-CE1 4.25Å; V215-F244 HydrophobicContact CG1-CE1 4.43Å; V215-F244 HydrophobicContact CG2-CD1 4.09Å; V215-F244 HydrophobicContact CG2-CE1 3.67Å; V215-F244 HydrophobicContact CG2-CZ 4.18Å
216	H	77.4	Confident	78.4	Confident	35 Å²	35	52.9 Å²	52.9	16%	0.162	29%	0.288	C	S	.	.	H	α-helix	trans	-76.7	-42.1	-179.8	-177.8	54.7	0	0	0	112.3	D214 R219 Q220 P245 V248	D214-H216 VanDerWaalsContact C-N 3.28Å; D214-H216 PolarHBondContact O-N 3.08Å; D214-H216 VanDerWaalsContact OD1-CA 3.27Å; D214-H216 WeakPolarHBondContact OD1-CA 3.47Å; D214-H216 VanDerWaalsContact OD1-CB 3.23Å; D214-H216 WeakPolarHBondContact OD1-CB 3.41Å; D214-H216 PolarHBondContact OD1-N 3.47Å; H216-R219 PolarHBondContact O-N 3.16Å; H216-Q220 PolarHBondContact CD2-NE2 3.45Å; H216-Q220 VanDerWaalsContact CD2-NE2 3.31Å; H216-Q220 PolarHBondContact CE1-NE2 2.7Å; H216-Q220 PolarHBondContact NE2-NE2 2.8Å; H216-Q220 WeakPolarHBondContact O-CG 3.45Å; H216-Q220 PolarHBondContact O-N 3.2Å; H216-P245 HydrophobicContact CB-CG 3.07Å; H216-P245 VanDerWaalsContact CD2-CG 3.48Å; H216-P245 WeakPolarHBondContact CD2-CG 2.81Å; H216-P245 VanDerWaalsContact CG-CG 3.41Å; H216-V248 HydrophobicContact CB-CG2 4.21Å
217	H	78.9	Confident	76.3	Confident	33 Å²	33	49.8 Å²	49.8	15%	0.153	27%	0.27	C	S	.	.	H	α-helix	trans	-58.5	-49.9	172.6	-71.2	161.3	0	0	0	110.4	H156 E189 N190 D192 D214 R219 Q220 E221	H156-H217 AromaticContact CE1-CE1 3.55Å; H156-H217 AromaticContact CE1-ND1 3.74Å; H156-H217 AromaticContact NE2-CE1 3.87Å; E189-H217 IonicContact OE1-CE1 3.41Å; E189-H217 PolarHBondContact OE1-CE1 3.25Å; E189-H217 IonicContact OE1-ND1 3.76Å; E189-H217 PolarHBondContact OE1-ND1 3.49Å; E189-H217 VanDerWaalsContact OE1-ND1 3.14Å; N190-H217 PolarHBondContact O-ND1 3.01Å; D192-H217 HydrophobicContact CB-CB 4.28Å; D214-H217 HydrophobicContact CB-CB 4.01Å; D214-H217 PolarHBondContact O-N 3.03Å; D214-H217 IonicContact OD1-CG 2.7Å; D214-H217 PolarHBondContact OD1-N 2.95Å; D214-H217 IonicContact OD2-CE1 3.82Å; D214-H217 IonicContact OD2-CG 3.86Å; D214-H217 IonicContact OD2-ND1 3.47Å; H217-R219 VanDerWaalsContact C-N 3.31Å; H217-R219 PolarHBondContact O-N 3.32Å; H217-Q220 PolarHBondContact O-N 3.22Å; H217-E221 WeakPolarHBondContact O-CB 3.45Å; H217-E221 PolarHBondContact O-N 3.43Å
218	H	74.3	Confident	74.1	Confident	1 Å²	1	55 Å²	55	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-38	176.9	-171.4	-173.4	0	0	0	112.1	N190 P197 Y213 D214 Q220 E221 I222	N190-H218 PolarHBondContact ND2-N 2.97Å; P197-H218 HydrophobicContact CG-CB 4.16Å; Y213-H218 HydrophobicContact CE2-CB 3.75Å; Y213-H218 AromaticContact CE2-CG 3.88Å; Y213-H218 AromaticContact CE2-ND1 3.28Å; Y213-H218 VanDerWaalsContact CE2-ND1 3.28Å; Y213-H218 WeakPolarHBondContact CE2-ND1 3.44Å; Y213-H218 AromaticContact CZ-ND1 3.4Å; Y213-H218 PolarHBondContact OH-ND1 3.19Å; D214-H218 PolarHBondContact O-N 2.81Å; D214-H218 VanDerWaalsContact O-N 3.1Å; H218-Q220 PolarHBondContact O-N 2.97Å; H218-E221 IonicContact CD2-OE2 3.52Å; H218-E221 WeakPolarHBondContact O-CB 3.48Å; H218-E221 PolarHBondContact O-N 2.04Å; H218-I222 VanDerWaalsContact O-CG1 3.27Å; H218-I222 WeakPolarHBondContact O-CG1 3.46Å; H218-I222 PolarHBondContact O-N 3.31Å
219	R	73.2	Confident	72.2	Confident	114 Å²	114	52.2 Å²	52.2	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-40.5	173.7	-81.5	176.3	-178.3	-158.7	3.1	113	V215 H216 H217 E221 L223	V215-R219 WeakPolarHBondContact O-CB 3.21Å; V215-R219 WeakPolarHBondContact O-CG 3.22Å; V215-R219 PolarHBondContact O-N 3.2Å; H216-R219 PolarHBondContact O-N 3.16Å; H217-R219 VanDerWaalsContact C-N 3.31Å; H217-R219 PolarHBondContact O-N 3.32Å; R219-E221 VanDerWaalsContact C-N 3.27Å; R219-L223 VanDerWaalsContact O-CG 3.25Å; R219-L223 WeakPolarHBondContact O-CG 3.47Å; R219-L223 PolarHBondContact O-N 3.31Å
220	Q	68	Low	70.1	Confident	59 Å²	59	57 Å²	57	28%	0.276	30%	0.301	S	S	.	.	H	α-helix	trans	-68.7	-31.5	177.8	-72.6	-169.6	45.1	0	0	111.8	D192 H216 H217 H218 K224	D192-Q220 HydrophobicContact CB-CB 3.9Å; D192-Q220 PolarHBondContact OD2-OE1 3.18Å; H216-Q220 PolarHBondContact CD2-NE2 3.45Å; H216-Q220 VanDerWaalsContact CD2-NE2 3.31Å; H216-Q220 PolarHBondContact CE1-NE2 2.7Å; H216-Q220 PolarHBondContact NE2-NE2 2.8Å; H216-Q220 WeakPolarHBondContact O-CG 3.45Å; H216-Q220 PolarHBondContact O-N 3.2Å; H217-Q220 PolarHBondContact O-N 3.22Å; H218-Q220 PolarHBondContact O-N 2.97Å; Q220-K224 WeakPolarHBondContact O-CG 3.27Å
221	E	59.4	Low	67.7	Low	11 Å²	11	62 Å²	62	5%	0.051	33%	0.326	C	S	.	.	H	α-helix	trans	-71	-47.7	174.1	-174.6	-164.4	166.1	0	0	112.4	C196 P197 H217 H218 R219 L223 K224 T226 C227	C196-E221 WeakPolarHBondContact CA-OE2 3.28Å; C196-E221 VanDerWaalsContact CB-CD 3.49Å; C196-E221 WeakPolarHBondContact CB-OE1 3.24Å; P197-E221 VanDerWaalsContact CD-OE2 3.27Å; P197-E221 WeakPolarHBondContact CD-OE2 3.27Å; H217-E221 WeakPolarHBondContact O-CB 3.45Å; H217-E221 PolarHBondContact O-N 3.43Å; H218-E221 IonicContact CD2-OE2 3.52Å; H218-E221 WeakPolarHBondContact O-CB 3.48Å; H218-E221 PolarHBondContact O-N 2.04Å; R219-E221 VanDerWaalsContact C-N 3.27Å; E221-L223 PolarHBondContact O-N 2.92Å; E221-K224 CarbonylContact O-C 3.57Å; E221-K224 VanDerWaalsContact O-CA 3.32Å; E221-K224 WeakPolarHBondContact O-CA 3.22Å; E221-K224 VanDerWaalsContact O-CB 3.31Å; E221-K224 WeakPolarHBondContact O-CB 3.38Å; E221-K224 PolarHBondContact O-N 3.06Å; E221-T226 WeakPolarHBondContact CG-OG1 3.14Å; E221-T226 PolarHBondContact O-OG1 3.02Å; E221-C227 VanDerWaalsContact OE1-CB 3.29Å; E221-C227 WeakPolarHBondContact OE1-CB 3.29Å
222	I	60.4	Low	65.5	Low	74 Å²	74	65.5 Å²	65.5	38%	0.379	34%	0.344	S	S	.	.	H	α-helix	trans	-56.8	-38.9	176.5	-69.8	162.4	0	0	0	110.7	H218 K224 D225	H218-I222 VanDerWaalsContact O-CG1 3.27Å; H218-I222 WeakPolarHBondContact O-CG1 3.46Å; H218-I222 PolarHBondContact O-N 3.31Å; I222-K224 PolarHBondContact O-N 3.23Å; I222-K224 VanDerWaalsContact O-N 3.07Å; I222-D225 PolarHBondContact O-N 2.84Å
223	L	58.4	Low	63.6	Low	149 Å²	149	65.6 Å²	65.6	78%	0.78	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-8.8	175.7	-70.4	171.3	0	0	0	113.6	R219 E221	R219-L223 VanDerWaalsContact O-CG 3.25Å; R219-L223 WeakPolarHBondContact O-CG 3.47Å; R219-L223 PolarHBondContact O-N 3.31Å; E221-L223 PolarHBondContact O-N 2.92Å
224	K	57.5	Low	61.4	Low	106 Å²	106	71.6 Å²	71.6	46%	0.461	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	13.5	173.6	-59.2	170.5	-172.9	170.9	0	112.4	D192 Q220 E221 I222 T226	D192-K224 PolarHBondContact O-NZ 3.18Å; Q220-K224 WeakPolarHBondContact O-CG 3.27Å; E221-K224 CarbonylContact O-C 3.57Å; E221-K224 VanDerWaalsContact O-CA 3.32Å; E221-K224 WeakPolarHBondContact O-CA 3.22Å; E221-K224 VanDerWaalsContact O-CB 3.31Å; E221-K224 WeakPolarHBondContact O-CB 3.38Å; E221-K224 PolarHBondContact O-N 3.06Å; I222-K224 PolarHBondContact O-N 3.23Å; I222-K224 VanDerWaalsContact O-N 3.07Å; K224-T226 VanDerWaalsContact C-N 3.34Å; K224-T226 PolarHBondContact O-N 3.42Å
225	D	56.9	Low	59	Low	158 Å²	158	75.3 Å²	75.3	85%	0.845	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	35.6	178.7	-69.9	-29.2	0	0	0	115.1	I222	I222-D225 PolarHBondContact O-N 2.84Å
226	T	53.7	Low	57.2	Low	91 Å²	91	77.8 Å²	77.8	56%	0.558	41%	0.414	S	S	*	.			trans	-106.2	-13.3	-171.2	32.9	0	0	0	0	116.7	E221 K224	E221-T226 WeakPolarHBondContact CG-OG1 3.14Å; E221-T226 PolarHBondContact O-OG1 3.02Å; K224-T226 VanDerWaalsContact C-N 3.34Å; K224-T226 PolarHBondContact O-N 3.42Å
227	C	53	Low	56.1	Low	23 Å²	23	84.6 Å²	84.6	16%	0.155	45%	0.452	C	S	.	.			trans	-162.2	143.7	177.2	-149.2	0	0	0	0	112.7	C196 E221 C229	C196-C227 HydrophobicContact CB-CB 4.22Å; C196-C227 VanDerWaalsContact SG-SG 3.69Å; E221-C227 VanDerWaalsContact OE1-CB 3.29Å; E221-C227 WeakPolarHBondContact OE1-CB 3.29Å; C227-C229 HydrophobicContact CB-CB 4.15Å; C227-C229 WeakPolarHBondContact CB-SG 3.31Å; C227-C229 WeakPolarHBondContact SG-CB 3.15Å; C227-C229 CovalentContact SG-SG 2.04Å; C227-C229 PolarHBondContact SG-SG 3.27Å
228	C	50.2	Low	54.8	Low	136 Å²	136	84.1 Å²	84.1	92%	0.919	45%	0.451	S	S	*	.			trans	-115.5	72.2	173.8	-162.1	0	0	0	0	110.5
229	C	53.7	Low	54.1	Low	11 Å²	11	88.5 Å²	88.5	7%	0.074	48%	0.48	C	S	.	.			trans	-121.2	12.4	-148.9	-61.9	0	0	0	0	116.4	C227 N231 I233	C227-C229 HydrophobicContact CB-CB 4.15Å; C227-C229 WeakPolarHBondContact CB-SG 3.31Å; C227-C229 WeakPolarHBondContact SG-CB 3.15Å; C227-C229 CovalentContact SG-SG 2.04Å; C227-C229 PolarHBondContact SG-SG 3.27Å; C229-N231 PolarHBondContact O-N 3.47Å; C229-I233 WeakPolarHBondContact O-CD1 3.47Å; C229-I233 WeakPolarHBondContact O-CG1 3.32Å
230	L	52.1	Low	53.4	Low	106 Å²	106	86.4 Å²	86.4	56%	0.555	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-31	-178.6	-129.5	100.1	0	0	0	114.2
231	N	44.9	Very low	53.2	Low	146 Å²	146	85.9 Å²	85.9	78%	0.781	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-27.6	-175	-73.4	-12.5	0	0	0	113.3	C229	C229-N231 PolarHBondContact O-N 3.47Å
232	L	48.4	Very low	53.5	Low	74 Å²	74	90.1 Å²	90.1	39%	0.387	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-37.3	-176.8	-158.5	76.4	0	0	0	111.9	E198 I234 S235	E198-L232 HydrophobicContact CB-CD2 4.3Å; E198-L232 HydrophobicContact CG-CD2 3.8Å; L232-I234 PolarHBondContact O-N 2.93Å; L232-I234 VanDerWaalsContact O-N 3.17Å; L232-S235 PolarHBondContact O-N 2.52Å; L232-S235 PolarHBondContact O-OG 2.81Å
233	I	50.8	Low	53.8	Low	11 Å²	11	88.4 Å²	88.4	6%	0.056	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.8	-176.7	-68	173.4	0	0	0	112.3	P197 F211 Y213 C229 M240	P197-I233 HydrophobicContact CB-CD1 3.73Å; P197-I233 HydrophobicContact CB-CG1 4.23Å; P197-I233 HydrophobicContact CG-CD1 4.3Å; F211-I233 HydrophobicContact CE1-CG1 4.46Å; Y213-I233 HydrophobicContact CD2-CD1 3.74Å; Y213-I233 HydrophobicContact CE2-CD1 3.52Å; Y213-I233 HydrophobicContact CG-CD1 4.4Å; C229-I233 WeakPolarHBondContact O-CD1 3.47Å; C229-I233 WeakPolarHBondContact O-CG1 3.32Å; I233-M240 HydrophobicContact CG2-CE 3.3Å; I233-M240 HydrophobicContact CG2-SD 3.52Å; I233-M240 VanDerWaalsContact CG2-SD 3.52Å; I233-M240 WeakPolarHBondContact O-CE 3.37Å
234	I	45.9	Very low	53.8	Low	145 Å²	145	86.3 Å²	86.3	74%	0.744	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-17.7	-177.5	-61.4	173.5	0	0	0	112.2	L232	L232-I234 PolarHBondContact O-N 2.93Å; L232-I234 VanDerWaalsContact O-N 3.17Å
235	S	39.3	Very low	53.8	Low	80 Å²	80	82.6 Å²	82.6	56%	0.559	46%	0.459	S	S	*	.	S	Bend	trans	-89.5	-11.7	-170	68.9	0	0	0	0	115.5	L232	L232-S235 PolarHBondContact O-N 2.52Å; L232-S235 PolarHBondContact O-OG 2.81Å
236	L	45.9	Very low	53.3	Low	70 Å²	70	83.1 Å²	83.1	37%	0.366	45%	0.454	S	S	.	.	S	Bend	trans	-105.2	135.5	-175.9	-57.1	-170.6	0	0	0	111.4	L201 V238	L201-L236 HydrophobicContact CD1-CB 4.45Å; L201-L236 HydrophobicContact CD1-CD1 3.89Å; L201-L236 HydrophobicContact CD2-CB 4.49Å; L201-L236 HydrophobicContact CD2-CD1 3.29Å; L201-L236 HydrophobicContact CD2-CG 4.03Å; L201-L236 HydrophobicContact CG-CD1 3.39Å; L201-L236 HydrophobicContact CG-CG 4.47Å; L236-V238 HydrophobicContact CB-CG2 4.25Å; L236-V238 PolarHBondContact O-N 3.29Å
237	D	52.7	Low	52.6	Low	179 Å²	179	86.4 Å²	86.4	96%	0.957	46%	0.461	S	S	*	.			trans	-72.7	53	176.9	-79.5	-31	0	0	0	112.3
238	V	52.3	Low	52.1	Low	22 Å²	22	86.2 Å²	86.2	13%	0.133	46%	0.459	C	S	.	.			trans	-108.6	124.9	174.8	-174.5	0	0	0	0	108.5	L201 F211 L236 M240	L201-V238 HydrophobicContact CD1-CB 4.31Å; L201-V238 HydrophobicContact CD1-CG2 4Å; F211-V238 HydrophobicContact CB-CG1 4.04Å; L236-V238 HydrophobicContact CB-CG2 4.25Å; L236-V238 PolarHBondContact O-N 3.29Å; V238-M240 PolarHBondContact O-N 3.03Å
239	P	60.3	Low	51.5	Low	94 Å²	94	85.2 Å²	85.2	61%	0.61	44%	0.444	S	S	*	.			trans	-55.3	132.6	173.3	-23.4	32.8	0	0	0	110.6	P210 F211	P210-P239 HydrophobicContact CB-CB 4.34Å; P210-P239 WeakPolarHBondContact CB-O 3Å; F211-P239 PolarHBondContact N-O 3.05Å
240	M	57.9	Low	50.6	Low	69 Å²	69	93 Å²	93	34%	0.34	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.2	-171.1	-165.9	174.8	-53.5	0	0	112.4	F211 I233 V238 L242	F211-M240 HydrophobicContact CD1-CE 4.43Å; F211-M240 WeakPolarHBondContact O-CA 3.43Å; I233-M240 HydrophobicContact CG2-CE 3.3Å; I233-M240 HydrophobicContact CG2-SD 3.52Å; I233-M240 VanDerWaalsContact CG2-SD 3.52Å; I233-M240 WeakPolarHBondContact O-CE 3.37Å; V238-M240 PolarHBondContact O-N 3.03Å; M240-L242 HydrophobicContact SD-CD2 4.29Å
241	D	63.4	Low	49.8	Very low	48 Å²	48	97 Å²	97	26%	0.257	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.6	165.5	-75	-36.9	0	0	0	109.8	R112 F211 V212 Y213	R112-D241 IonicContact CZ-OD1 3.99Å; R112-D241 IonicContact CZ-OD2 3.62Å; R112-D241 IonicContact NH1-OD1 3.81Å; R112-D241 PolarHBondContact NH1-OD1 2.73Å; R112-D241 IonicContact NH1-OD2 3.65Å; R112-D241 PolarHBondContact NH1-OD2 3.28Å; R112-D241 IonicContact NH2-OD1 2.73Å; R112-D241 IonicContact NH2-OD2 2.79Å; R112-D241 PolarHBondContact NH2-OD2 3.45Å; F211-D241 PolarHBondContact O-N 3.25Å; V212-D241 CarbonylContact C-O 3.59Å; V212-D241 WeakPolarHBondContact CA-O 3.25Å; V212-D241 HydrophobicContact CG1-CB 4.34Å; V212-D241 HydrophobicContact CG2-CB 4.16Å; Y213-D241 PolarHBondContact N-O 3.06Å
242	L	65.5	Low	49.1	Very low	100 Å²	100	97.1 Å²	97.1	52%	0.524	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.2	-179.6	-63.3	173.3	0	0	0	110.3	Y213 M240 F244	Y213-L242 HydrophobicContact CD1-CD2 3.62Å; Y213-L242 HydrophobicContact CG-CD2 4.39Å; M240-L242 HydrophobicContact SD-CD2 4.29Å; L242-F244 HydrophobicContact CB-CD2 4.26Å; L242-F244 HydrophobicContact CB-CE2 3.58Å; L242-F244 HydrophobicContact CB-CZ 4.18Å; L242-F244 HydrophobicContact CD1-CE2 4.12Å; L242-F244 HydrophobicContact CD1-CZ 4.18Å; L242-F244 HydrophobicContact CG-CE2 4.46Å
243	H	66.9	Low	48	Very low	39 Å²	39	102.7 Å²	102.7	18%	0.181	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.7	170.1	-158.8	61.3	0	0	0	111.8	R68 V212 Y213 D214 V215	R68-H243 PolarHBondContact NH2-CE1 3.15Å; R68-H243 PolarHBondContact NH2-ND1 2.72Å; R68-H243 VanDerWaalsContact NH2-ND1 3.18Å; V212-H243 HydrophobicContact CG1-CB 4.49Å; Y213-H243 PolarHBondContact O-N 3.27Å; D214-H243 HydrophobicContact CB-CB 4.17Å; D214-H243 IonicContact OD2-CD2 2.71Å; D214-H243 PolarHBondContact OD2-CD2 2.7Å; D214-H243 IonicContact OD2-CG 2.69Å; V215-H243 PolarHBondContact N-O 2.82Å
244	F	58.3	Low	47	Very low	104 Å²	104	111.7 Å²	111.7	46%	0.456	54%	0.538	S	S	.	.			trans	-126.9	102.1	177.2	-64.8	-83.9	0	0	0	110.1	V215 L242	V215-F244 HydrophobicContact CB-CD1 4.26Å; V215-F244 HydrophobicContact CB-CE1 4.25Å; V215-F244 HydrophobicContact CG1-CE1 4.43Å; V215-F244 HydrophobicContact CG2-CD1 4.09Å; V215-F244 HydrophobicContact CG2-CE1 3.67Å; V215-F244 HydrophobicContact CG2-CZ 4.18Å; L242-F244 HydrophobicContact CB-CD2 4.26Å; L242-F244 HydrophobicContact CB-CE2 3.58Å; L242-F244 HydrophobicContact CB-CZ 4.18Å; L242-F244 HydrophobicContact CD1-CE2 4.12Å; L242-F244 HydrophobicContact CD1-CZ 4.18Å; L242-F244 HydrophobicContact CG-CE2 4.46Å
245	P	57.6	Low	45.9	Very low	28 Å²	28	113.6 Å²	113.6	18%	0.182	54%	0.544	C	S	.	.			trans	-76	153.3	175.8	27.2	-31.1	0	0	0	112.1	H216 K247 V248	H216-P245 HydrophobicContact CB-CG 3.07Å; H216-P245 VanDerWaalsContact CD2-CG 3.48Å; H216-P245 WeakPolarHBondContact CD2-CG 2.81Å; H216-P245 VanDerWaalsContact CG-CG 3.41Å; P245-K247 PolarHBondContact O-N 2.85Å; P245-V248 PolarHBondContact O-N 3.01Å
246	K	45.8	Very low	45.6	Very low	170 Å²	170	122.3 Å²	122.3	74%	0.739	58%	0.576	S	S	*	*	H	α-helix	trans	-50.1	-29.8	-174.4	-77.6	-174.3	175.9	-178.9	0	115.2	V248 L249	K246-V248 PolarHBondContact O-N 2.8Å; K246-L249 PolarHBondContact O-N 3.24Å
247	K	39.9	Very low	45.5	Very low	160 Å²	160	124.9 Å²	124.9	70%	0.696	59%	0.586	S	S	*	*	H	α-helix	trans	-61.5	-24	179.2	-75.1	-174.1	179.3	177.7	0	113.1	P245	P245-K247 PolarHBondContact O-N 2.85Å
248	V	42.7	Very low	45.2	Very low	19 Å²	19	122.1 Å²	122.1	12%	0.115	57%	0.567	C	S	.	*	H	α-helix	trans	-79.8	-32.8	178.6	-178	0	0	0	0	111.8	H216 P245 K246	H216-V248 HydrophobicContact CB-CG2 4.21Å; P245-V248 PolarHBondContact O-N 3.01Å; K246-V248 PolarHBondContact O-N 2.8Å
249	L	36.7	Very low	44.8	Very low	115 Å²	115	127.6 Å²	127.6	60%	0.602	59%	0.591	S	S	*	*	H	α-helix	trans	-73.6	-34.5	-175.2	-67.6	171.6	0	0	0	113	K246 K251 R252	K246-L249 PolarHBondContact O-N 3.24Å; L249-K251 VanDerWaalsContact C-N 3.26Å; L249-K251 PolarHBondContact O-N 3.3Å; L249-R252 PolarHBondContact O-N 3.23Å
250	H	35.9	Very low	43.9	Very low	175 Å²	175	129.6 Å²	129.6	81%	0.81	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-12.9	-179.4	-85.9	-70.1	0	0	0	114.9
251	K	34.8	Very low	43	Very low	189 Å²	189	133.4 Å²	133.4	82%	0.822	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	0.8	177.5	-79.4	-167.8	175.8	-172.4	0	114.4	L249	L249-K251 VanDerWaalsContact C-N 3.26Å; L249-K251 PolarHBondContact O-N 3.3Å
252	R	30.3	Very low	41.6	Very low	149 Å²	149	139.1 Å²	139.1	56%	0.562	63%	0.628	S	S	*	*			trans	-119.1	91.6	172.7	-73.1	-172.3	177.2	-169.7	-0	110	L249 W254	L249-R252 PolarHBondContact O-N 3.23Å; R252-W254 VanDerWaalsContact C-N 3.34Å; R252-W254 PolarHBondContact O-N 3.34Å; R252-W254 VanDerWaalsContact O-N 3.1Å
253	Q	25.6	Very low	39.9	Very low	190 Å²	190	141.9 Å²	141.9	89%	0.888	64%	0.636	S	S	*	*			trans	-60.1	105.5	147.4	-83.2	178.7	-26.5	0	0	106.1	Q255	Q253-Q255 PolarHBondContact O-N 2.97Å; Q253-Q255 VanDerWaalsContact O-N 3.14Å
254	W	28.4	Very low	37.8	Very low	200 Å²	200	149.8 Å²	149.8	76%	0.758	67%	0.671	S	S	*	*			trans	-71.6	101.1	165.6	-70.4	92	0	0	0	106.5	R252 Q256	R252-W254 VanDerWaalsContact C-N 3.34Å; R252-W254 PolarHBondContact O-N 3.34Å; R252-W254 VanDerWaalsContact O-N 3.1Å; W254-Q256 PolarHBondContact O-N 3.07Å
255	Q	22.8	Very low	36.1	Very low	186 Å²	186	153.6 Å²	153.6	87%	0.869	69%	0.689	S	S	*	*			trans	-66	108.9	154.9	-77.5	180	-25.9	0	0	106.5	Q253	Q253-Q255 PolarHBondContact O-N 2.97Å; Q253-Q255 VanDerWaalsContact O-N 3.14Å
256	Q	33.1	Very low	34.2	Very low	262 Å²	262	165 Å²	165	100%	1.224	74%	0.735	S	S	*	*			trans	-90.9	0	138.3	-80.6	-175	-8.4	0	0	107.4	W254	W254-Q256 PolarHBondContact O-N 3.07Å

Retrieved 256 of 256 residues in 95.8 ms (Link to these results)

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