A0A5K4EZE5_SCHMA Loading...

non-specific serine/threonine protein kinase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EZE5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 309 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35	Very low	32.3	Very low	247 Å²	247	145.8 Å²	145.8	100%	1.217	78%	0.781	S	S	*	*				0	91.8	0	-76.4	-177.3	151.8	0	0	107
2	S	37.8	Very low	32.1	Very low	119 Å²	119	139.2 Å²	139.2	83%	0.832	75%	0.754	S	S	*	*			trans	-97.3	115.1	-172.2	-33.3	0	0	0	0	107.4	P4	S2-P4 WeakPolarHBondContact O-CD 3.41Å
3	N	33.6	Very low	32.2	Very low	123 Å²	123	140.6 Å²	140.6	66%	0.658	76%	0.761	S	S	*	*			trans	-63.4	119.1	-171.2	-159.7	9.2	0	0	0	111.2	E5	N3-E5 PolarHBondContact O-N 3.21Å
4	P	34.2	Very low	32.4	Very low	120 Å²	120	136.2 Å²	136.2	78%	0.779	75%	0.746	S	S	*	*			trans	-87.1	21.9	-177.3	35.6	-32.8	0	0	0	113.6	S2	S2-P4 WeakPolarHBondContact O-CD 3.41Å
5	E	31.4	Very low	33.3	Very low	153 Å²	153	129.7 Å²	129.7	72%	0.715	71%	0.712	S	S	*	*			trans	-106.9	18.3	-175.3	-68.1	-167.5	160.5	0	0	115.1	N3	N3-E5 PolarHBondContact O-N 3.21Å
6	L	32	Very low	33.8	Very low	139 Å²	139	126.1 Å²	126.1	73%	0.728	70%	0.697	S	S	*	*	S	Bend	trans	-93.4	124.7	156.8	-88	97.3	0	0	0	108
7	F	31.5	Very low	34.3	Very low	178 Å²	178	127.8 Å²	127.8	78%	0.781	71%	0.705	S	S	*	*			trans	98.4	46	-177.2	-55.2	-73.6	0	0	0	118.6	L10	F7-L10 HydrophobicContact CD1-CD1 4.25Å; F7-L10 HydrophobicContact CE1-CD1 4.32Å
8	P	27.4	Very low	34.9	Very low	92 Å²	92	125.4 Å²	125.4	60%	0.597	69%	0.694	S	S	*	*	S	Bend	trans	-84.9	141.3	144.7	32.5	-21.7	0	0	0	109.3
9	D	30.1	Very low	35.8	Very low	132 Å²	132	121.3 Å²	121.3	71%	0.706	67%	0.671	S	S	*	*	S	Bend	trans	87.3	12.1	162	-57.4	-14.2	0	0	0	122.4
10	L	31.3	Very low	37.1	Very low	126 Å²	126	117 Å²	117	66%	0.66	65%	0.649	S	S	*	*	S	Bend	trans	-87.8	-3.7	167.8	-90.3	160.2	0	0	0	115	F7 S14	F7-L10 HydrophobicContact CD1-CD1 4.25Å; F7-L10 HydrophobicContact CE1-CD1 4.32Å; L10-S14 PolarHBondContact O-OG 3.01Å
11	L	30.9	Very low	39	Very low	175 Å²	175	119.4 Å²	119.4	92%	0.916	66%	0.66	S	S	*	*	S	Bend	trans	-122.9	3	-173.6	-72.3	170.4	0	0	0	115.1
12	S	29.6	Very low	41.6	Very low	66 Å²	66	110.2 Å²	110.2	46%	0.462	62%	0.615	S	S	.	*	S	Bend	trans	-107.1	118.5	171.1	48.3	0	0	0	0	109.7	S14	S12-S14 PolarHBondContact O-N 3.2Å
13	D	33.4	Very low	44.3	Very low	158 Å²	158	108.6 Å²	108.6	85%	0.845	60%	0.599	S	S	*	*	S	Bend	trans	74.9	8.3	169.9	-58.9	-26.4	0	0	0	120	V15	D13-V15 PolarHBondContact O-N 3.21Å
14	S	35.1	Very low	47.2	Very low	79 Å²	79	106.9 Å²	106.9	55%	0.552	59%	0.59	S	S	*	*			trans	-92.8	16.9	-177.5	63.1	0	0	0	0	117	L10 S12 P16	L10-S14 PolarHBondContact O-OG 3.01Å; S12-S14 PolarHBondContact O-N 3.2Å; S14-P16 WeakPolarHBondContact O-CD 3.39Å
15	V	45.7	Very low	49.9	Very low	38 Å²	38	105.7 Å²	105.7	23%	0.23	58%	0.576	C	S	.	*	S	Bend	trans	-86	99.1	156.9	-176.9	0	0	0	0	105.1	D13 N17	D13-V15 PolarHBondContact O-N 3.21Å; V15-N17 PolarHBondContact O-N 3.36Å
16	P	41.6	Very low	52.7	Low	72 Å²	72	101.1 Å²	101.1	47%	0.468	56%	0.561	S	S	.	*			trans	-61.8	133.8	-169.4	30.1	-35.6	0	0	0	108	S14 T18	S14-P16 WeakPolarHBondContact O-CD 3.39Å; P16-T18 HydrophobicContact CB-CG2 4.28Å; P16-T18 VanDerWaalsContact CB-OG1 3.22Å; P16-T18 WeakPolarHBondContact CB-OG1 3.4Å; P16-T18 WeakPolarHBondContact CG-OG1 3.47Å; P16-T18 PolarHBondContact O-N 3.32Å
17	N	42.9	Very low	55.5	Low	156 Å²	156	99.8 Å²	99.8	83%	0.834	55%	0.551	S	S	*	*	S	Bend	trans	-60.7	8.6	168	-89.3	-11.9	0	0	0	112.5	V15 L19	V15-N17 PolarHBondContact O-N 3.36Å; N17-L19 PolarHBondContact O-N 3.44Å
18	T	44.5	Very low	58.2	Low	84 Å²	84	93.4 Å²	93.4	52%	0.515	54%	0.535	S	S	.	.			trans	-85.4	37.8	172.8	64.9	0	0	0	0	111.9	P16 S20 F39	P16-T18 HydrophobicContact CB-CG2 4.28Å; P16-T18 VanDerWaalsContact CB-OG1 3.22Å; P16-T18 WeakPolarHBondContact CB-OG1 3.4Å; P16-T18 WeakPolarHBondContact CG-OG1 3.47Å; P16-T18 PolarHBondContact O-N 3.32Å; T18-S20 PolarHBondContact O-N 3.43Å; T18-F39 VanDerWaalsContact O-CD2 3.23Å; T18-F39 WeakPolarHBondContact O-CD2 3.36Å; T18-F39 WeakPolarHBondContact O-CE2 3.48Å
19	L	52.9	Low	60.9	Low	47 Å²	47	92.9 Å²	92.9	25%	0.246	54%	0.538	C	S	.	.			trans	-74.8	112.2	164	-77.9	158.4	0	0	0	106.5	N17 T36 W102	N17-L19 PolarHBondContact O-N 3.44Å; L19-T36 HydrophobicContact CD2-CG2 4.29Å; L19-W102 HydrophobicContact CD1-CZ2 4.28Å
20	S	60.3	Low	63.6	Low	35 Å²	35	88 Å²	88	25%	0.245	51%	0.511	C	S	.	.			trans	-47.8	150.2	167.5	50.4	0	0	0	0	110.6	T18 E22 T36 K37	T18-S20 PolarHBondContact O-N 3.43Å; S20-E22 PolarHBondContact O-N 3.44Å; S20-T36 PolarHBondContact O-OG1 3.49Å; S20-T36 PolarHBondContact OG-OG1 3.08Å; S20-K37 WeakPolarHBondContact OG-CB 3.42Å; S20-K37 PolarHBondContact OG-N 3.14Å; S20-K37 PolarHBondContact OG-O 3.37Å
21	L	78.7	Confident	66.5	Low	169 Å²	169	82.5 Å²	82.5	89%	0.885	48%	0.484	S	S	*	.			trans	-35.6	108.6	176.7	-111.8	137.1	0	0	0	111.7
22	E	89.9	Confident	69.6	Low	54 Å²	54	77.9 Å²	77.9	25%	0.252	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-75.7	127.6	178.6	-65	-176.3	162.4	0	0	108.5	S20 Y34 R100	S20-E22 PolarHBondContact O-N 3.44Å; E22-Y34 HydrophobicContact CB-CD1 4.1Å; E22-Y34 HydrophobicContact CB-CG 4.39Å; E22-R100 IonicContact OE1-NH1 2.61Å; E22-R100 PolarHBondContact OE1-NH1 3.11Å; E22-R100 IonicContact OE2-CZ 3.08Å; E22-R100 IonicContact OE2-NH1 3.94Å; E22-R100 PolarHBondContact OE2-NH1 3.15Å; E22-R100 IonicContact OE2-NH2 2.73Å
23	T	93.6	Very high	72.7	Confident	84 Å²	84	76.5 Å²	76.5	52%	0.515	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	120	175.6	-55.8	0	0	0	0	109.1	I25 Y34 H35	T23-I25 PolarHBondContact O-N 3.26Å; T23-Y34 CarbonylContact O-C 3.51Å; T23-Y34 VanDerWaalsContact O-CA 3.29Å; T23-Y34 WeakPolarHBondContact O-CA 3.45Å; T23-H35 PolarHBondContact N-O 3.43Å; T23-H35 PolarHBondContact O-N 2.97Å
24	L	94.4	Very high	75.6	Confident	88 Å²	88	70.6 Å²	70.6	46%	0.461	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	119.7	176.1	-177.4	71.4	0	0	0	109.7	S26 R32 Y34	L24-S26 WeakPolarHBondContact CD1-O 3.47Å; L24-R32 HydrophobicContact CD1-CB 3.85Å; L24-R32 HydrophobicContact CD1-CG 4.1Å; L24-Y34 HydrophobicContact CB-CD1 4.19Å; L24-Y34 HydrophobicContact CB-CE1 4.18Å; L24-Y34 HydrophobicContact CD1-CD1 4.04Å; L24-Y34 HydrophobicContact CD1-CE1 3.71Å
25	I	91.1	Very high	78.4	Confident	95 Å²	95	69.5 Å²	69.5	49%	0.487	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-49.1	176.3	-52	177	0	0	0	109.8	T23 I33 H35 I48	T23-I25 PolarHBondContact O-N 3.26Å; I25-I33 HydrophobicContact CB-CG2 4.42Å; I25-I33 HydrophobicContact CD1-CG2 4.15Å; I25-I33 PolarHBondContact N-O 3.48Å; I25-H35 HydrophobicContact CD1-CB 3.64Å; I25-H35 HydrophobicContact CG1-CB 3.78Å; I25-I48 HydrophobicContact CD1-CD1 3.47Å; I25-I48 VanDerWaalsContact CD1-CD1 3.47Å
26	S	90.2	Very high	80.6	Confident	56 Å²	56	67.8 Å²	67.8	39%	0.392	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	157.4	-175.4	71.8	0	0	0	0	112	L24 I33	L24-S26 WeakPolarHBondContact CD1-O 3.47Å; S26-I33 PolarHBondContact N-O 3.02Å; S26-I33 PolarHBondContact O-N 2.9Å; S26-I33 WeakPolarHBondContact OG-CB 3.24Å; S26-I33 VanDerWaalsContact OG-CG1 3.31Å; S26-I33 WeakPolarHBondContact OG-CG1 3.4Å
27	Q	90.9	Very high	83	Confident	112 Å²	112	69.3 Å²	69.3	52%	0.523	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	115.9	174.4	179.9	174.1	-57.6	0	0	109	R32	Q27-R32 HydrophobicContact CB-CG 4.21Å; Q27-R32 HydrophobicContact CG-CG 3.84Å
28	G	87	Confident	85	Confident	43 Å²	43	63.3 Å²	63.3	44%	0.443	35%	0.351	S	S	.	.			trans	-90.1	-172.4	171.6	0	0	0	0	0	112.4	E30 A31	G28-E30 PolarHBondContact O-N 3.35Å; G28-A31 PolarHBondContact N-O 3.42Å
29	A	85.4	Confident	86.7	Confident	81 Å²	81	64.4 Å²	64.4	67%	0.669	35%	0.348	S	S	*	.	S	Bend	trans	-63.2	-30.7	178.9	0	0	0	0	0	112.8	F53 K55	A29-F53 VanDerWaalsContact O-CZ 3.23Å; A29-F53 WeakPolarHBondContact O-CZ 3.4Å; A29-K55 WeakPolarHBondContact O-CE 3.02Å; A29-K55 PolarHBondContact O-NZ 3.44Å
30	E	86.3	Confident	87.6	Confident	30 Å²	30	67.1 Å²	67.1	14%	0.14	36%	0.36	C	S	.	.	S	Bend	trans	-131.1	-7.3	-173.8	-61.7	-163.9	162.4	0	0	115.1	G28 R52 F53 R58 R70	G28-E30 PolarHBondContact O-N 3.35Å; E30-R52 WeakPolarHBondContact O-CA 3.33Å; E30-R52 IonicContact OE2-CZ 3.59Å; E30-R52 IonicContact OE2-NH2 3.61Å; E30-R52 PolarHBondContact OE2-NH2 3.14Å; E30-F53 WeakPolarHBondContact O-CD1 3.31Å; E30-F53 PolarHBondContact O-N 2.99Å; E30-R58 IonicContact OE1-CZ 2.86Å; E30-R58 IonicContact OE1-NH1 3.86Å; E30-R58 PolarHBondContact OE1-NH1 3.45Å; E30-R58 IonicContact OE1-NH2 2.8Å; E30-R58 PolarHBondContact OE1-NH2 3.39Å; E30-R70 IonicContact OE1-CZ 3.54Å; E30-R70 IonicContact OE1-NH1 3.93Å; E30-R70 PolarHBondContact OE1-NH1 3Å; E30-R70 IonicContact OE2-CZ 2.77Å; E30-R70 IonicContact OE2-NE 3.83Å; E30-R70 IonicContact OE2-NH1 2.94Å; E30-R70 PolarHBondContact OE2-NH1 3.46Å
31	A	92.7	Very high	88.4	Confident	10 Å²	10	71 Å²	71	8%	0.083	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.1	-177.5	0	0	0	0	0	111.9	G28 K50 E51 R52	G28-A31 PolarHBondContact N-O 3.42Å; A31-K50 HydrophobicContact CB-CG 4.07Å; A31-E51 CarbonylContact C-O 3.47Å; A31-E51 WeakPolarHBondContact CA-O 3.46Å; A31-R52 HydrophobicContact CB-CG 4.42Å
32	R	94.6	Very high	88.2	Confident	78 Å²	78	69.3 Å²	69.3	29%	0.294	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.3	166.6	-71	179.2	-174.4	125	-0.2	108.9	L24 Q27 Y34 K50 E51 F53	L24-R32 HydrophobicContact CD1-CB 3.85Å; L24-R32 HydrophobicContact CD1-CG 4.1Å; Q27-R32 HydrophobicContact CB-CG 4.21Å; Q27-R32 HydrophobicContact CG-CG 3.84Å; R32-Y34 HydrophobicContact CB-CD2 4.29Å; R32-Y34 HydrophobicContact CB-CE2 3.48Å; R32-Y34 VanDerWaalsContact CB-CE2 3.48Å; R32-Y34 WeakPolarHBondContact CD-OH 3.4Å; R32-K50 WeakPolarHBondContact O-CA 3.48Å; R32-E51 PolarHBondContact N-O 3.42Å; R32-E51 PolarHBondContact O-N 2.92Å; R32-F53 HydrophobicContact CG-CD1 4.33Å
33	I	94.8	Very high	87.6	Confident	37 Å²	37	72.8 Å²	72.8	19%	0.19	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.3	179	-52.5	-58.9	0	0	0	107.7	I25 S26 I48 V49 K50	I25-I33 HydrophobicContact CB-CG2 4.42Å; I25-I33 HydrophobicContact CD1-CG2 4.15Å; I25-I33 PolarHBondContact N-O 3.48Å; S26-I33 PolarHBondContact N-O 3.02Å; S26-I33 PolarHBondContact O-N 2.9Å; S26-I33 WeakPolarHBondContact OG-CB 3.24Å; S26-I33 VanDerWaalsContact OG-CG1 3.31Å; S26-I33 WeakPolarHBondContact OG-CG1 3.4Å; I33-I48 HydrophobicContact CG2-CG2 3.3Å; I33-V49 CarbonylContact C-O 3.57Å; I33-V49 WeakPolarHBondContact CA-O 3.37Å; I33-K50 HydrophobicContact CD1-CB 3.77Å; I33-K50 HydrophobicContact CD1-CD 4.08Å; I33-K50 HydrophobicContact CD1-CG 3.58Å
34	Y	95.5	Very high	87.1	Confident	34 Å²	34	71.8 Å²	71.8	13%	0.133	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.6	179.4	-56.6	-90.5	0	0	0	110.4	E22 T23 L24 R32 I48 V49 E51	E22-Y34 HydrophobicContact CB-CD1 4.1Å; E22-Y34 HydrophobicContact CB-CG 4.39Å; T23-Y34 CarbonylContact O-C 3.51Å; T23-Y34 VanDerWaalsContact O-CA 3.29Å; T23-Y34 WeakPolarHBondContact O-CA 3.45Å; L24-Y34 HydrophobicContact CB-CD1 4.19Å; L24-Y34 HydrophobicContact CB-CE1 4.18Å; L24-Y34 HydrophobicContact CD1-CD1 4.04Å; L24-Y34 HydrophobicContact CD1-CE1 3.71Å; R32-Y34 HydrophobicContact CB-CD2 4.29Å; R32-Y34 HydrophobicContact CB-CE2 3.48Å; R32-Y34 VanDerWaalsContact CB-CE2 3.48Å; R32-Y34 WeakPolarHBondContact CD-OH 3.4Å; Y34-I48 CarbonylContact O-C 3.5Å; Y34-I48 VanDerWaalsContact O-CA 3.3Å; Y34-I48 WeakPolarHBondContact O-CA 3.42Å; Y34-V49 PolarHBondContact N-O 3.27Å; Y34-V49 PolarHBondContact O-N 3.49Å; Y34-E51 HydrophobicContact CD2-CB 4.46Å; Y34-E51 HydrophobicContact CE2-CB 3.93Å; Y34-E51 WeakPolarHBondContact CE2-OE2 3.29Å; Y34-E51 PolarHBondContact OH-OE2 2.93Å
35	H	93.8	Very high	86.7	Confident	57 Å²	57	70 Å²	70	26%	0.264	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.6	163.8	180	-98.6	0	0	0	108.6	T23 I25	T23-H35 PolarHBondContact N-O 3.43Å; T23-H35 PolarHBondContact O-N 2.97Å; I25-H35 HydrophobicContact CD1-CB 3.64Å; I25-H35 HydrophobicContact CG1-CB 3.78Å
36	T	92.5	Very high	86.6	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.012	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	177.9	174.8	-164.6	0	0	0	0	110.8	L19 S20 C47 V49	L19-T36 HydrophobicContact CD2-CG2 4.29Å; S20-T36 PolarHBondContact O-OG1 3.49Å; S20-T36 PolarHBondContact OG-OG1 3.08Å; T36-C47 WeakPolarHBondContact CG2-SG 3.45Å; T36-C47 PolarHBondContact N-O 3.28Å; T36-C47 PolarHBondContact O-N 3.35Å; T36-C47 PolarHBondContact O-SG 2.97Å; T36-V49 HydrophobicContact CG2-CG2 3.49Å; T36-V49 VanDerWaalsContact CG2-CG2 3.49Å
37	K	90.2	Very high	86.8	Confident	103 Å²	103	65.8 Å²	65.8	45%	0.448	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.1	171.2	-62.1	-177.7	179.3	-177.7	0	109.3	S20 F45	S20-K37 WeakPolarHBondContact OG-CB 3.42Å; S20-K37 PolarHBondContact OG-N 3.14Å; S20-K37 PolarHBondContact OG-O 3.37Å; K37-F45 WeakPolarHBondContact CA-O 3.46Å
38	L	85.8	Confident	87	Confident	31 Å²	31	61.9 Å²	61.9	16%	0.162	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.6	171.5	-168.4	61.2	0	0	0	108.7	T44 F45 L92	L38-T44 WeakPolarHBondContact O-CA 3.45Å; L38-F45 HydrophobicContact CB-CD2 4.22Å; L38-F45 HydrophobicContact CB-CE1 4.42Å; L38-F45 HydrophobicContact CB-CE2 3.77Å; L38-F45 HydrophobicContact CB-CZ 3.89Å; L38-F45 HydrophobicContact CD2-CE2 3.76Å; L38-F45 HydrophobicContact CD2-CZ 3.66Å; L38-F45 HydrophobicContact CG-CE2 4.18Å; L38-F45 HydrophobicContact CG-CZ 3.94Å; L38-F45 PolarHBondContact N-O 3.36Å; L38-F45 PolarHBondContact O-N 2.94Å; L38-L92 HydrophobicContact CD2-CB 4.02Å; L38-L92 HydrophobicContact CD2-CD1 4.41Å
39	F	79.7	Confident	87.4	Confident	107 Å²	107	59.8 Å²	59.8	47%	0.469	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.2	176	-72.6	-96.2	0	0	0	109.4	T18 T44	T18-F39 VanDerWaalsContact O-CD2 3.23Å; T18-F39 WeakPolarHBondContact O-CD2 3.36Å; T18-F39 WeakPolarHBondContact O-CE2 3.48Å; F39-T44 HydrophobicContact CD1-CG2 3.23Å; F39-T44 HydrophobicContact CD2-CG2 4.21Å; F39-T44 HydrophobicContact CE1-CG2 3.21Å; F39-T44 HydrophobicContact CE2-CG2 4.19Å; F39-T44 HydrophobicContact CG-CG2 3.76Å; F39-T44 HydrophobicContact CZ-CG2 3.72Å
40	H	71.4	Confident	87.8	Confident	104 Å²	104	56.2 Å²	56.2	48%	0.481	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	104.2	167.3	-170.9	68.3	0	0	0	110	T42 Y43 F45	H40-T42 PolarHBondContact O-N 3.45Å; H40-Y43 HydrophobicContact CB-CE1 4.29Å; H40-Y43 HydrophobicContact CB-CE2 4.05Å; H40-Y43 AromaticContact CD2-CE1 3.56Å; H40-Y43 AromaticContact CD2-CZ 3.44Å; H40-Y43 VanDerWaalsContact CD2-CZ 3.44Å; H40-Y43 PolarHBondContact CD2-OH 2.94Å; H40-Y43 PolarHBondContact N-O 3.28Å; H40-Y43 WeakPolarHBondContact O-CD1 3.36Å; H40-Y43 PolarHBondContact O-N 3.11Å; H40-F45 HydrophobicContact CB-CE1 3.73Å; H40-F45 HydrophobicContact CB-CZ 4.49Å
41	S	76.8	Confident	88.2	Confident	116 Å²	116	56.3 Å²	56.3	81%	0.811	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	-89	-178.3	-171.6	0	0	0	0	113.1
42	T	74.9	Confident	88.3	Confident	133 Å²	133	56.6 Å²	56.6	82%	0.816	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-8.5	-174.2	54	0	0	0	0	114.5	H40	H40-T42 PolarHBondContact O-N 3.45Å
43	Y	77.6	Confident	88.2	Confident	127 Å²	127	54.7 Å²	54.7	50%	0.498	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.3	-178.8	63.5	-87.4	0	0	0	112.1	H40 F45	H40-Y43 HydrophobicContact CB-CE1 4.29Å; H40-Y43 HydrophobicContact CB-CE2 4.05Å; H40-Y43 AromaticContact CD2-CE1 3.56Å; H40-Y43 AromaticContact CD2-CZ 3.44Å; H40-Y43 VanDerWaalsContact CD2-CZ 3.44Å; H40-Y43 PolarHBondContact CD2-OH 2.94Å; H40-Y43 PolarHBondContact N-O 3.28Å; H40-Y43 WeakPolarHBondContact O-CD1 3.36Å; H40-Y43 PolarHBondContact O-N 3.11Å; Y43-F45 AromaticContact CD2-CD1 3.67Å; Y43-F45 HydrophobicContact CD2-CD1 3.67Å; Y43-F45 HydrophobicContact CD2-CE1 4.16Å; Y43-F45 AromaticContact CE2-CD1 3.51Å; Y43-F45 HydrophobicContact CE2-CD1 3.51Å; Y43-F45 AromaticContact CE2-CE1 3.64Å; Y43-F45 HydrophobicContact CE2-CE1 3.64Å
44	T	83.3	Confident	88.1	Confident	64 Å²	64	56.1 Å²	56.1	39%	0.393	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.3	170.8	55.3	0	0	0	0	108.8	L38 F39	L38-T44 WeakPolarHBondContact O-CA 3.45Å; F39-T44 HydrophobicContact CD1-CG2 3.23Å; F39-T44 HydrophobicContact CD2-CG2 4.21Å; F39-T44 HydrophobicContact CE1-CG2 3.21Å; F39-T44 HydrophobicContact CE2-CG2 4.19Å; F39-T44 HydrophobicContact CG-CG2 3.76Å; F39-T44 HydrophobicContact CZ-CG2 3.72Å
45	F	85.3	Confident	87.9	Confident	50 Å²	50	56.4 Å²	56.4	22%	0.219	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.8	172.2	46.7	-81.6	0	0	0	109.5	K37 L38 H40 Y43 L92	K37-F45 WeakPolarHBondContact CA-O 3.46Å; L38-F45 HydrophobicContact CB-CD2 4.22Å; L38-F45 HydrophobicContact CB-CE1 4.42Å; L38-F45 HydrophobicContact CB-CE2 3.77Å; L38-F45 HydrophobicContact CB-CZ 3.89Å; L38-F45 HydrophobicContact CD2-CE2 3.76Å; L38-F45 HydrophobicContact CD2-CZ 3.66Å; L38-F45 HydrophobicContact CG-CE2 4.18Å; L38-F45 HydrophobicContact CG-CZ 3.94Å; L38-F45 PolarHBondContact N-O 3.36Å; L38-F45 PolarHBondContact O-N 2.94Å; H40-F45 HydrophobicContact CB-CE1 3.73Å; H40-F45 HydrophobicContact CB-CZ 4.49Å; Y43-F45 AromaticContact CD2-CD1 3.67Å; Y43-F45 HydrophobicContact CD2-CD1 3.67Å; Y43-F45 HydrophobicContact CD2-CE1 4.16Å; Y43-F45 AromaticContact CE2-CD1 3.51Å; Y43-F45 HydrophobicContact CE2-CD1 3.51Å; Y43-F45 AromaticContact CE2-CE1 3.64Å; Y43-F45 HydrophobicContact CE2-CE1 3.64Å; F45-L92 HydrophobicContact CD2-CD1 4.05Å; F45-L92 HydrophobicContact CE2-CD1 3.57Å; F45-L92 HydrophobicContact CE2-CD2 3.81Å; F45-L92 HydrophobicContact CE2-CG 4.14Å
46	P	90.2	Very high	87.7	Confident	62 Å²	62	65.4 Å²	65.4	40%	0.403	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	139.6	174.4	29.8	-34.4	0	0	0	109.4	E105	P46-E105 WeakPolarHBondContact CB-OE2 3.45Å
47	C	93.6	Very high	87.7	Confident	0 Å²	0	73 Å²	73	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	163.3	-180	69	0	0	0	0	110.8	T36 L92 L103	T36-C47 WeakPolarHBondContact CG2-SG 3.45Å; T36-C47 PolarHBondContact N-O 3.28Å; T36-C47 PolarHBondContact O-N 3.35Å; T36-C47 PolarHBondContact O-SG 2.97Å; C47-L92 HydrophobicContact CB-CD1 3.52Å; C47-L103 CarbonylContact C-O 3.56Å; C47-L103 WeakPolarHBondContact CA-O 3.29Å; C47-L103 WeakPolarHBondContact CB-O 3.32Å
48	I	94.9	Very high	87.7	Confident	30 Å²	30	71.4 Å²	71.4	15%	0.154	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.1	178.5	-57.6	-61	0	0	0	108.2	I25 I33 Y34 W102 L103	I25-I48 HydrophobicContact CD1-CD1 3.47Å; I25-I48 VanDerWaalsContact CD1-CD1 3.47Å; I33-I48 HydrophobicContact CG2-CG2 3.3Å; Y34-I48 CarbonylContact O-C 3.5Å; Y34-I48 VanDerWaalsContact O-CA 3.3Å; Y34-I48 WeakPolarHBondContact O-CA 3.42Å; I48-W102 CarbonylContact O-C 3.57Å; I48-W102 WeakPolarHBondContact O-CA 3.28Å; I48-L103 HydrophobicContact CB-CB 4.44Å; I48-L103 PolarHBondContact N-O 3.02Å; I48-L103 PolarHBondContact O-N 3.46Å
49	V	95.1	Very high	88.2	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.4	172.4	-173.3	0	0	0	0	108.9	I33 Y34 T36 R100 I101 W102	I33-V49 CarbonylContact C-O 3.57Å; I33-V49 WeakPolarHBondContact CA-O 3.37Å; Y34-V49 PolarHBondContact N-O 3.27Å; Y34-V49 PolarHBondContact O-N 3.49Å; T36-V49 HydrophobicContact CG2-CG2 3.49Å; T36-V49 VanDerWaalsContact CG2-CG2 3.49Å; V49-R100 HydrophobicContact CG1-CB 4.09Å; V49-R100 HydrophobicContact CG1-CG 4.07Å; V49-I101 WeakPolarHBondContact CA-O 3.42Å; V49-W102 HydrophobicContact CG1-CD2 4.36Å; V49-W102 HydrophobicContact CG1-CZ2 4.29Å; V49-W102 VanDerWaalsContact CG2-CD1 3.42Å; V49-W102 HydrophobicContact CG2-CD2 4.28Å; V49-W102 HydrophobicContact CG2-CG 4Å; V49-W102 VanDerWaalsContact CG2-NE1 3.3Å
50	K	95.2	Very high	88.8	Confident	6 Å²	6	74.6 Å²	74.6	3%	0.026	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112	168.7	-177.3	174.8	-167.9	-172.5	0	109.2	A31 R32 I33 E74 R100 I101 D191	A31-K50 HydrophobicContact CB-CG 4.07Å; R32-K50 WeakPolarHBondContact O-CA 3.48Å; I33-K50 HydrophobicContact CD1-CB 3.77Å; I33-K50 HydrophobicContact CD1-CD 4.08Å; I33-K50 HydrophobicContact CD1-CG 3.58Å; K50-E74 VanDerWaalsContact CD-OE1 3.31Å; K50-E74 WeakPolarHBondContact CD-OE1 3.42Å; K50-E74 IonicContact NZ-OE1 3.33Å; K50-E74 PolarHBondContact NZ-OE1 2.67Å; K50-E74 IonicContact NZ-OE2 3.91Å; K50-E74 PolarHBondContact NZ-OE2 2.64Å; K50-R100 CarbonylContact O-C 3.57Å; K50-R100 VanDerWaalsContact O-CA 3.29Å; K50-R100 WeakPolarHBondContact O-CA 3.3Å; K50-I101 PolarHBondContact N-O 3.4Å; K50-I101 PolarHBondContact O-N 3.45Å; K50-D191 IonicContact NZ-OD1 2.86Å; K50-D191 PolarHBondContact NZ-OD1 3.03Å; K50-D191 IonicContact NZ-OD2 2.93Å; K50-D191 PolarHBondContact NZ-OD2 3.01Å; K50-D191 VanDerWaalsContact NZ-OD2 3.16Å
51	E	95.3	Very high	89.8	Confident	31 Å²	31	73.8 Å²	73.8	15%	0.145	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.7	176.9	-176.7	173.9	-137.4	0	0	110.8	A31 R32 Y34 R99 R100	A31-E51 CarbonylContact C-O 3.47Å; A31-E51 WeakPolarHBondContact CA-O 3.46Å; R32-E51 PolarHBondContact N-O 3.42Å; R32-E51 PolarHBondContact O-N 2.92Å; Y34-E51 HydrophobicContact CD2-CB 4.46Å; Y34-E51 HydrophobicContact CE2-CB 3.93Å; Y34-E51 WeakPolarHBondContact CE2-OE2 3.29Å; Y34-E51 PolarHBondContact OH-OE2 2.93Å; E51-R99 WeakPolarHBondContact CA-O 3.4Å; E51-R100 HydrophobicContact CB-CG 3.86Å; E51-R100 VanDerWaalsContact CD-NE 3.32Å; E51-R100 VanDerWaalsContact CD-NH2 3.27Å; E51-R100 HydrophobicContact CG-CG 3.79Å; E51-R100 IonicContact OE1-CZ 3.17Å; E51-R100 IonicContact OE1-NE 3.94Å; E51-R100 PolarHBondContact OE1-NE 3.2Å; E51-R100 IonicContact OE1-NH2 3.9Å; E51-R100 PolarHBondContact OE1-NH2 3.41Å; E51-R100 IonicContact OE2-CZ 3.78Å; E51-R100 IonicContact OE2-NE 3.28Å; E51-R100 IonicContact OE2-NH2 2.91Å; E51-R100 PolarHBondContact OE2-NH2 2.95Å; E51-R100 VanDerWaalsContact OE2-NH2 3.17Å
52	R	94.3	Very high	90.6	Very high	16 Å²	16	73.9 Å²	73.9	6%	0.06	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.3	170	-53.1	-170	84.2	97	5.4	109.8	E30 A31 R99	E30-R52 WeakPolarHBondContact O-CA 3.33Å; E30-R52 IonicContact OE2-CZ 3.59Å; E30-R52 IonicContact OE2-NH2 3.61Å; E30-R52 PolarHBondContact OE2-NH2 3.14Å; A31-R52 HydrophobicContact CB-CG 4.42Å; R52-R99 HydrophobicContact CB-CB 4.19Å; R52-R99 PolarHBondContact N-O 3.18Å; R52-R99 WeakPolarHBondContact O-CB 3.4Å; R52-R99 WeakPolarHBondContact O-CD 3.29Å; R52-R99 PolarHBondContact O-NE 2.81Å
53	F	92.5	Very high	91.4	Very high	38 Å²	38	67.9 Å²	67.9	17%	0.167	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-90.8	150.1	-180	58.5	-91.7	0	0	0	111.7	A29 E30 R32 K55	A29-F53 VanDerWaalsContact O-CZ 3.23Å; A29-F53 WeakPolarHBondContact O-CZ 3.4Å; E30-F53 WeakPolarHBondContact O-CD1 3.31Å; E30-F53 PolarHBondContact O-N 2.99Å; R32-F53 HydrophobicContact CG-CD1 4.33Å; F53-K55 HydrophobicContact CD2-CD 4.09Å; F53-K55 HydrophobicContact CE2-CD 3.59Å; F53-K55 VanDerWaalsContact CE2-NZ 3.27Å; F53-K55 HydrophobicContact CZ-CD 4.48Å; F53-K55 PolarHBondContact O-N 2.84Å
54	V	93.2	Very high	92.1	Very high	67 Å²	67	64.4 Å²	64.4	41%	0.406	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-68	127	178.7	-176.8	0	0	0	0	110	R56 D63 R99	V54-R56 PolarHBondContact O-N 3.29Å; V54-D63 WeakPolarHBondContact CA-OD2 3.24Å; V54-R99 VanDerWaalsContact CG2-NH2 3.29Å
55	K	90	Very high	92.6	Very high	40 Å²	40	64.7 Å²	64.7	17%	0.174	32%	0.323	C	S	.	.			trans	-85.1	102.6	168.9	-67.4	-57.1	-162.7	163.9	0	109.6	A29 F53 Y57 R58	A29-K55 WeakPolarHBondContact O-CE 3.02Å; A29-K55 PolarHBondContact O-NZ 3.44Å; F53-K55 HydrophobicContact CD2-CD 4.09Å; F53-K55 HydrophobicContact CE2-CD 3.59Å; F53-K55 VanDerWaalsContact CE2-NZ 3.27Å; F53-K55 HydrophobicContact CZ-CD 4.48Å; F53-K55 PolarHBondContact O-N 2.84Å; K55-Y57 HydrophobicContact CB-CD1 4.06Å; K55-Y57 HydrophobicContact CB-CE1 3.7Å; K55-Y57 HydrophobicContact CB-CE2 4.37Å; K55-Y57 HydrophobicContact CD-CD1 4.45Å; K55-Y57 HydrophobicContact CD-CE1 3.61Å; K55-Y57 HydrophobicContact CG-CE1 3.87Å; K55-Y57 PolarHBondContact O-N 3.37Å; K55-R58 HydrophobicContact CB-CB 4.42Å; K55-R58 HydrophobicContact CB-CG 3.96Å; K55-R58 PolarHBondContact O-N 3.01Å
56	R	90.8	Very high	92.9	Very high	246 Å²	246	64.7 Å²	64.7	93%	0.928	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.1	-178.2	-65.2	-173	-178.2	179.1	0.2	114.8	V54	V54-R56 PolarHBondContact O-N 3.29Å
57	Y	92.1	Very high	93	Very high	163 Å²	163	62.1 Å²	62.1	64%	0.639	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.6	174.5	67	-103.3	0	0	0	113.6	K55	K55-Y57 HydrophobicContact CB-CD1 4.06Å; K55-Y57 HydrophobicContact CB-CE1 3.7Å; K55-Y57 HydrophobicContact CB-CE2 4.37Å; K55-Y57 HydrophobicContact CD-CD1 4.45Å; K55-Y57 HydrophobicContact CD-CE1 3.61Å; K55-Y57 HydrophobicContact CG-CE1 3.87Å; K55-Y57 PolarHBondContact O-N 3.37Å
58	R	90.4	Very high	92.9	Very high	69 Å²	69	65 Å²	65	26%	0.26	32%	0.323	S	S	.	.	S	Bend	trans	-95.5	148	175.9	-62.6	-178.4	-178.2	161	-5.1	109.4	E30 K55 S60 D63	E30-R58 IonicContact OE1-CZ 2.86Å; E30-R58 IonicContact OE1-NH1 3.86Å; E30-R58 PolarHBondContact OE1-NH1 3.45Å; E30-R58 IonicContact OE1-NH2 2.8Å; E30-R58 PolarHBondContact OE1-NH2 3.39Å; K55-R58 HydrophobicContact CB-CB 4.42Å; K55-R58 HydrophobicContact CB-CG 3.96Å; K55-R58 PolarHBondContact O-N 3.01Å; R58-S60 PolarHBondContact O-N 2.96Å; R58-D63 HydrophobicContact CB-CB 4.05Å; R58-D63 IonicContact NH1-OD1 3.26Å
59	H	94.6	Very high	92.8	Very high	121 Å²	121	69.1 Å²	69.1	56%	0.56	34%	0.341	S	S	*	.			trans	-57.9	133	170.5	-172.1	-83.2	0	0	0	109.9	T61 L62 D63	H59-T61 VanDerWaalsContact C-N 3.32Å; H59-T61 PolarHBondContact CE1-OG1 2.99Å; H59-T61 PolarHBondContact ND1-N 3.32Å; H59-T61 PolarHBondContact O-N 3.5Å; H59-L62 HydrophobicContact CB-CB 4.32Å; H59-L62 HydrophobicContact CB-CD1 4.03Å; H59-L62 HydrophobicContact CB-CG 4.15Å; H59-L62 PolarHBondContact O-N 3.34Å; H59-D63 PolarHBondContact O-N 3.45Å
60	S	92.9	Very high	92.7	Very high	84 Å²	84	71.7 Å²	71.7	59%	0.587	35%	0.351	S	S	*	.	H	α-helix	trans	-54.2	-44.8	-171.3	55.3	0	0	0	0	113.1	R58 L62 D63 A64	R58-S60 PolarHBondContact O-N 2.96Å; S60-L62 PolarHBondContact O-N 3.36Å; S60-D63 PolarHBondContact O-N 3.31Å; S60-A64 WeakPolarHBondContact O-CB 3.42Å; S60-A64 PolarHBondContact O-N 3.34Å
61	T	93.5	Very high	92.7	Very high	86 Å²	86	71.5 Å²	71.5	53%	0.528	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-39.3	177.3	-45.6	0	0	0	0	112.6	H59 T65	H59-T61 VanDerWaalsContact C-N 3.32Å; H59-T61 PolarHBondContact CE1-OG1 2.99Å; H59-T61 PolarHBondContact ND1-N 3.32Å; H59-T61 PolarHBondContact O-N 3.5Å; T61-T65 WeakPolarHBondContact O-CB 3.44Å; T61-T65 PolarHBondContact O-N 3.45Å; T61-T65 PolarHBondContact O-OG1 3.33Å
62	L	92.2	Very high	92.6	Very high	118 Å²	118	77.3 Å²	77.3	62%	0.618	37%	0.371	S	S	*	.	H	α-helix	trans	-70.8	-42.5	179.1	-66.6	179	0	0	0	110.8	H59 S60 T65 L66	H59-L62 HydrophobicContact CB-CB 4.32Å; H59-L62 HydrophobicContact CB-CD1 4.03Å; H59-L62 HydrophobicContact CB-CG 4.15Å; H59-L62 PolarHBondContact O-N 3.34Å; S60-L62 PolarHBondContact O-N 3.36Å; L62-T65 PolarHBondContact O-N 3.33Å; L62-L66 VanDerWaalsContact O-CB 3.28Å; L62-L66 WeakPolarHBondContact O-CB 3.29Å; L62-L66 PolarHBondContact O-N 3.24Å
63	D	92.7	Very high	92.5	Very high	8 Å²	8	77.5 Å²	77.5	4%	0.043	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-44.8	176.7	-169.2	73.3	0	0	0	111.6	V54 R58 H59 S60 L66 S67	V54-D63 WeakPolarHBondContact CA-OD2 3.24Å; R58-D63 HydrophobicContact CB-CB 4.05Å; R58-D63 IonicContact NH1-OD1 3.26Å; H59-D63 PolarHBondContact O-N 3.45Å; S60-D63 PolarHBondContact O-N 3.31Å; D63-L66 PolarHBondContact O-N 3.09Å; D63-S67 WeakPolarHBondContact O-CB 3.3Å; D63-S67 PolarHBondContact O-N 3.45Å
64	A	92.2	Very high	92.6	Very high	54 Å²	54	75.8 Å²	75.8	45%	0.446	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176	0	0	0	0	0	111.9	S60 S67 M68	S60-A64 WeakPolarHBondContact O-CB 3.42Å; S60-A64 PolarHBondContact O-N 3.34Å; A64-S67 PolarHBondContact O-N 3.19Å; A64-M68 VanDerWaalsContact O-CB 3.3Å; A64-M68 WeakPolarHBondContact O-CB 3.45Å; A64-M68 PolarHBondContact O-N 3.21Å
65	T	93.1	Very high	92.7	Very high	69 Å²	69	73.8 Å²	73.8	42%	0.423	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-47.3	178.6	-57.4	0	0	0	0	111.3	T61 L62 M68 Q69	T61-T65 WeakPolarHBondContact O-CB 3.44Å; T61-T65 PolarHBondContact O-N 3.45Å; T61-T65 PolarHBondContact O-OG1 3.33Å; L62-T65 PolarHBondContact O-N 3.33Å; T65-M68 PolarHBondContact O-N 3.42Å; T65-Q69 WeakPolarHBondContact O-CG 3.15Å; T65-Q69 PolarHBondContact O-N 2.99Å
66	L	91.7	Very high	92.9	Very high	51 Å²	51	79.3 Å²	79.3	27%	0.267	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-45.1	178.8	-178.5	64.1	0	0	0	111.3	L62 D63 M68 Q69 R70	L62-L66 VanDerWaalsContact O-CB 3.28Å; L62-L66 WeakPolarHBondContact O-CB 3.29Å; L62-L66 PolarHBondContact O-N 3.24Å; D63-L66 PolarHBondContact O-N 3.09Å; L66-M68 PolarHBondContact O-N 3.36Å; L66-Q69 PolarHBondContact O-N 3.09Å; L66-R70 HydrophobicContact CD1-CG 4.34Å; L66-R70 WeakPolarHBondContact O-CG 3.46Å; L66-R70 PolarHBondContact O-N 2.91Å
67	S	91.9	Very high	93.1	Very high	7 Å²	7	67.8 Å²	67.8	5%	0.049	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-45.9	179	-169.4	0	0	0	0	111.6	D63 A64 Q69 R70 M71 R99	D63-S67 WeakPolarHBondContact O-CB 3.3Å; D63-S67 PolarHBondContact O-N 3.45Å; A64-S67 PolarHBondContact O-N 3.19Å; S67-Q69 PolarHBondContact O-N 3.28Å; S67-R70 PolarHBondContact O-N 3.38Å; S67-M71 WeakPolarHBondContact O-CB 3.27Å; S67-M71 VanDerWaalsContact O-CG 3.3Å; S67-M71 WeakPolarHBondContact O-CG 3.27Å; S67-M71 PolarHBondContact O-N 2.94Å; S67-R99 VanDerWaalsContact OG-CD 3.26Å; S67-R99 WeakPolarHBondContact OG-CD 3.45Å
68	M	92.6	Very high	93.3	Very high	60 Å²	60	60.2 Å²	60.2	30%	0.296	30%	0.303	S	S	.	.	H	α-helix	trans	-57.2	-47.8	173.9	176.2	75.3	71.4	0	0	112	A64 T65 L66 M71 R72 V96	A64-M68 VanDerWaalsContact O-CB 3.3Å; A64-M68 WeakPolarHBondContact O-CB 3.45Å; A64-M68 PolarHBondContact O-N 3.21Å; T65-M68 PolarHBondContact O-N 3.42Å; L66-M68 PolarHBondContact O-N 3.36Å; M68-M71 PolarHBondContact O-N 3.12Å; M68-R72 WeakPolarHBondContact O-CB 3.39Å; M68-R72 WeakPolarHBondContact O-CG 3.34Å; M68-R72 PolarHBondContact O-N 2.96Å; M68-R72 HydrophobicContact SD-CG 4.41Å; M68-R72 PolarHBondContact SD-NE 2.97Å; M68-R72 VanDerWaalsContact SD-NE 3.42Å; M68-V96 HydrophobicContact CE-CG1 3.07Å; M68-V96 HydrophobicContact SD-CG1 3.24Å; M68-V96 WeakPolarHBondContact SD-CG1 3.49Å
69	Q	92.8	Very high	93.5	Very high	117 Å²	117	61 Å²	61	55%	0.547	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-47.5	179.7	-77.1	176.4	-24	0	0	111.5	T65 L66 S67 R72 A73	T65-Q69 WeakPolarHBondContact O-CG 3.15Å; T65-Q69 PolarHBondContact O-N 2.99Å; L66-Q69 PolarHBondContact O-N 3.09Å; S67-Q69 PolarHBondContact O-N 3.28Å; Q69-R72 PolarHBondContact O-N 3.48Å; Q69-A73 WeakPolarHBondContact O-CB 3.42Å; Q69-A73 PolarHBondContact O-N 3.47Å
70	R	92.9	Very high	93.5	Very high	54 Å²	54	59.9 Å²	59.9	20%	0.204	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-42.1	179.5	-65.9	-172.8	179.4	-150.3	-10.3	112.2	E30 L66 S67 A73 E74 G193	E30-R70 IonicContact OE1-CZ 3.54Å; E30-R70 IonicContact OE1-NH1 3.93Å; E30-R70 PolarHBondContact OE1-NH1 3Å; E30-R70 IonicContact OE2-CZ 2.77Å; E30-R70 IonicContact OE2-NE 3.83Å; E30-R70 IonicContact OE2-NH1 2.94Å; E30-R70 PolarHBondContact OE2-NH1 3.46Å; L66-R70 HydrophobicContact CD1-CG 4.34Å; L66-R70 WeakPolarHBondContact O-CG 3.46Å; L66-R70 PolarHBondContact O-N 2.91Å; S67-R70 PolarHBondContact O-N 3.38Å; R70-A73 PolarHBondContact O-N 3.44Å; R70-E74 WeakPolarHBondContact O-CB 3.29Å; R70-E74 PolarHBondContact O-N 3.49Å; R70-G193 WeakPolarHBondContact CB-O 3.48Å; R70-G193 VanDerWaalsContact CG-O 3.29Å; R70-G193 WeakPolarHBondContact CG-O 3.27Å
71	M	94.5	Very high	93.7	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-42.9	175.6	-72.8	178.5	68	0	0	112.1	S67 M68 E74 V75 V94 R99 I101	S67-M71 WeakPolarHBondContact O-CB 3.27Å; S67-M71 VanDerWaalsContact O-CG 3.3Å; S67-M71 WeakPolarHBondContact O-CG 3.27Å; S67-M71 PolarHBondContact O-N 2.94Å; M68-M71 PolarHBondContact O-N 3.12Å; M71-E74 PolarHBondContact O-N 3.23Å; M71-V75 WeakPolarHBondContact O-CG2 3.18Å; M71-V75 PolarHBondContact O-N 3.21Å; M71-V94 HydrophobicContact CE-CG1 4.16Å; M71-R99 VanDerWaalsContact SD-CA 3.51Å; M71-R99 HydrophobicContact SD-CB 4Å; M71-R99 HydrophobicContact SD-CG 4.43Å; M71-I101 HydrophobicContact CB-CD1 4.27Å; M71-I101 HydrophobicContact CE-CD1 4.45Å; M71-I101 HydrophobicContact CE-CG1 3.83Å; M71-I101 HydrophobicContact CG-CD1 4.17Å
72	R	93.3	Very high	93.8	Very high	153 Å²	153	59 Å²	59	58%	0.577	28%	0.277	S	S	*	.	H	α-helix	trans	-64.5	-42.8	176.6	-76.2	178.1	177.1	174.1	-0.4	111.9	M68 Q69 R76	M68-R72 WeakPolarHBondContact O-CB 3.39Å; M68-R72 WeakPolarHBondContact O-CG 3.34Å; M68-R72 PolarHBondContact O-N 2.96Å; M68-R72 HydrophobicContact SD-CG 4.41Å; M68-R72 PolarHBondContact SD-NE 2.97Å; M68-R72 VanDerWaalsContact SD-NE 3.42Å; Q69-R72 PolarHBondContact O-N 3.48Å; R72-R76 WeakPolarHBondContact O-CB 3.4Å; R72-R76 PolarHBondContact O-N 3.17Å
73	A	92	Very high	93.9	Very high	20 Å²	20	59.7 Å²	59.7	17%	0.165	28%	0.277	C	S	.	.	H	α-helix	trans	-60.3	-49.2	176	0	0	0	0	0	110.6	Q69 R70 R76 Q77	Q69-A73 WeakPolarHBondContact O-CB 3.42Å; Q69-A73 PolarHBondContact O-N 3.47Å; R70-A73 PolarHBondContact O-N 3.44Å; A73-R76 PolarHBondContact O-N 3.23Å; A73-Q77 WeakPolarHBondContact O-CG 3.26Å; A73-Q77 PolarHBondContact O-N 2.87Å
74	E	94.5	Very high	94	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-52.2	-179	-177.8	165.3	-167.3	0	0	112.4	K50 R70 M71 R76 Q77 L78 I101 F192	K50-E74 VanDerWaalsContact CD-OE1 3.31Å; K50-E74 WeakPolarHBondContact CD-OE1 3.42Å; K50-E74 IonicContact NZ-OE1 3.33Å; K50-E74 PolarHBondContact NZ-OE1 2.67Å; K50-E74 IonicContact NZ-OE2 3.91Å; K50-E74 PolarHBondContact NZ-OE2 2.64Å; R70-E74 WeakPolarHBondContact O-CB 3.29Å; R70-E74 PolarHBondContact O-N 3.49Å; M71-E74 PolarHBondContact O-N 3.23Å; E74-R76 VanDerWaalsContact C-N 3.33Å; E74-R76 PolarHBondContact O-N 3.17Å; E74-Q77 PolarHBondContact O-N 2.8Å; E74-L78 HydrophobicContact CG-CD1 4.06Å; E74-L78 VanDerWaalsContact O-CG 3.27Å; E74-L78 WeakPolarHBondContact O-CG 3.09Å; E74-L78 PolarHBondContact O-N 3.49Å; E74-I101 HydrophobicContact CB-CD1 4.42Å; E74-I101 HydrophobicContact CG-CD1 4.27Å; E74-F192 HydrophobicContact CB-CB 4.43Å; E74-F192 HydrophobicContact CG-CB 4.33Å
75	V	95.8	Very high	94.1	Very high	24 Å²	24	60.7 Å²	60.7	15%	0.145	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-43.1	178.4	172.9	0	0	0	0	111.1	M71 Q77 L78 L79 V91 V94 I101	M71-V75 WeakPolarHBondContact O-CG2 3.18Å; M71-V75 PolarHBondContact O-N 3.21Å; V75-Q77 PolarHBondContact O-N 3.46Å; V75-L78 PolarHBondContact O-N 2.86Å; V75-L79 HydrophobicContact CG1-CD1 4.08Å; V75-L79 WeakPolarHBondContact O-CG 3.41Å; V75-L79 PolarHBondContact O-N 3.03Å; V75-V91 HydrophobicContact CG1-CG1 4.31Å; V75-V94 HydrophobicContact CG1-CG2 4.25Å; V75-V94 HydrophobicContact CG2-CG1 4.24Å; V75-V94 HydrophobicContact CG2-CG2 3.68Å; V75-I101 HydrophobicContact CG2-CD1 3.97Å; V75-I101 HydrophobicContact CG2-CG1 4.43Å; V75-I101 HydrophobicContact CG2-CG2 4.33Å
76	R	94.8	Very high	94.2	Very high	157 Å²	157	57.6 Å²	57.6	59%	0.592	27%	0.271	S	S	*	.	H	α-helix	trans	-62	-45	-179.8	-176	-177.7	-64.7	161.7	-1.6	111.7	R72 A73 E74 L79 R80	R72-R76 WeakPolarHBondContact O-CB 3.4Å; R72-R76 PolarHBondContact O-N 3.17Å; A73-R76 PolarHBondContact O-N 3.23Å; E74-R76 VanDerWaalsContact C-N 3.33Å; E74-R76 PolarHBondContact O-N 3.17Å; R76-L79 PolarHBondContact O-N 2.76Å; R76-R80 WeakPolarHBondContact O-CB 3.38Å; R76-R80 PolarHBondContact O-N 3.33Å
77	Q	94.1	Very high	94.4	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-72.3	-35.1	179.1	-58.7	-47.7	-17	0	0	112.9	A73 E74 V75 L79 R80 C81 F192 S195 S197	A73-Q77 WeakPolarHBondContact O-CG 3.26Å; A73-Q77 PolarHBondContact O-N 2.87Å; E74-Q77 PolarHBondContact O-N 2.8Å; V75-Q77 PolarHBondContact O-N 3.46Å; Q77-L79 VanDerWaalsContact C-N 3.27Å; Q77-L79 PolarHBondContact O-N 3.05Å; Q77-R80 PolarHBondContact O-N 3.1Å; Q77-C81 VanDerWaalsContact O-CB 3.3Å; Q77-C81 WeakPolarHBondContact O-CB 3.34Å; Q77-C81 PolarHBondContact O-N 2.88Å; Q77-C81 PolarHBondContact O-SG 3.21Å; Q77-F192 HydrophobicContact CB-CB 3.8Å; Q77-F192 HydrophobicContact CB-CD1 3.6Å; Q77-F192 HydrophobicContact CB-CD2 4.48Å; Q77-F192 HydrophobicContact CB-CE1 4.29Å; Q77-F192 HydrophobicContact CB-CG 3.71Å; Q77-F192 HydrophobicContact CG-CB 4.17Å; Q77-F192 HydrophobicContact CG-CD1 4.05Å; Q77-F192 HydrophobicContact CG-CG 4.38Å; Q77-S195 VanDerWaalsContact CG-CB 3.46Å; Q77-S195 WeakPolarHBondContact CG-OG 3.4Å; Q77-S197 PolarHBondContact NE2-OG 3.42Å; Q77-S197 PolarHBondContact OE1-OG 2.87Å
78	L	96.2	Very high	94.6	Very high	3 Å²	3	58 Å²	58	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-44.3	173.9	-71.5	170.6	0	0	0	110.6	E74 V75 R82 V88 V91 L103 F192	E74-L78 HydrophobicContact CG-CD1 4.06Å; E74-L78 VanDerWaalsContact O-CG 3.27Å; E74-L78 WeakPolarHBondContact O-CG 3.09Å; E74-L78 PolarHBondContact O-N 3.49Å; V75-L78 PolarHBondContact O-N 2.86Å; L78-R82 WeakPolarHBondContact O-CB 3.45Å; L78-R82 PolarHBondContact O-N 2.8Å; L78-R82 VanDerWaalsContact O-N 3.12Å; L78-V88 HydrophobicContact CD2-CB 3.79Å; L78-V88 HydrophobicContact CD2-CG1 4.2Å; L78-V88 HydrophobicContact CD2-CG2 4.24Å; L78-V88 VanDerWaalsContact O-CG2 3.31Å; L78-V88 WeakPolarHBondContact O-CG2 3.44Å; L78-V91 HydrophobicContact CB-CG2 3.76Å; L78-V91 HydrophobicContact CD1-CG2 3.71Å; L78-V91 HydrophobicContact CG-CG2 4.4Å; L78-L103 HydrophobicContact CD1-CD2 3.65Å; L78-F192 HydrophobicContact CD2-CD2 3.77Å; L78-F192 HydrophobicContact CD2-CE2 3.96Å; L78-F192 HydrophobicContact CG-CD2 4.16Å
79	L	96	Very high	94.8	Very high	85 Å²	85	55.6 Å²	55.6	45%	0.445	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-44.9	174.5	-65.8	175.1	0	0	0	111.5	V75 R76 Q77 R82 E83	V75-L79 HydrophobicContact CG1-CD1 4.08Å; V75-L79 WeakPolarHBondContact O-CG 3.41Å; V75-L79 PolarHBondContact O-N 3.03Å; R76-L79 PolarHBondContact O-N 2.76Å; Q77-L79 VanDerWaalsContact C-N 3.27Å; Q77-L79 PolarHBondContact O-N 3.05Å; L79-R82 WeakPolarHBondContact O-CB 3.37Å; L79-R82 PolarHBondContact O-N 3.47Å; L79-E83 WeakPolarHBondContact O-CG 3.45Å; L79-E83 PolarHBondContact O-N 3.35Å
80	R	94.6	Very high	94.9	Very high	98 Å²	98	52 Å²	52	37%	0.37	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-44.2	179.8	-176.8	58.6	-174.3	152.8	7	112.9	R76 Q77 R82 E83 V84 I161	R76-R80 WeakPolarHBondContact O-CB 3.38Å; R76-R80 PolarHBondContact O-N 3.33Å; Q77-R80 PolarHBondContact O-N 3.1Å; R80-R82 VanDerWaalsContact C-N 3.29Å; R80-R82 PolarHBondContact O-N 3.48Å; R80-E83 WeakPolarHBondContact CD-OE2 3.33Å; R80-E83 IonicContact CZ-OE2 2.63Å; R80-E83 IonicContact NH1-OE2 3.76Å; R80-E83 PolarHBondContact NH1-OE2 3.34Å; R80-E83 WeakPolarHBondContact O-CB 3.43Å; R80-E83 PolarHBondContact O-N 3.15Å; R80-V84 VanDerWaalsContact CZ-CG1 3.5Å; R80-V84 WeakPolarHBondContact O-CG2 3.5Å; R80-V84 PolarHBondContact O-N 2.97Å; R80-V84 VanDerWaalsContact O-N 3.17Å; R80-I161 HydrophobicContact CG-CD1 4.02Å; R80-I161 HydrophobicContact CG-CG1 4.28Å
81	C	95.7	Very high	95	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-55.7	-47.7	173.8	-76.3	0	0	0	0	110.3	Q77 E83 V84 G85 I86 V88	Q77-C81 VanDerWaalsContact O-CB 3.3Å; Q77-C81 WeakPolarHBondContact O-CB 3.34Å; Q77-C81 PolarHBondContact O-N 2.88Å; Q77-C81 PolarHBondContact O-SG 3.21Å; C81-E83 VanDerWaalsContact C-N 3.35Å; C81-E83 PolarHBondContact O-N 2.76Å; C81-V84 CarbonylContact O-C 3.47Å; C81-V84 VanDerWaalsContact O-CG2 3.28Å; C81-V84 WeakPolarHBondContact O-CG2 3.44Å; C81-V84 PolarHBondContact O-N 3.21Å; C81-G85 PolarHBondContact O-N 3.14Å; C81-I86 CarbonylContact C-O 3.55Å; C81-I86 HydrophobicContact CB-CB 3.92Å; C81-I86 HydrophobicContact CB-CG2 4.13Å; C81-I86 WeakPolarHBondContact O-CA 3.49Å; C81-I86 WeakPolarHBondContact O-CB 3.4Å; C81-I86 PolarHBondContact O-N 3.41Å; C81-V88 HydrophobicContact CB-CB 4.41Å; C81-V88 HydrophobicContact CB-CG1 3.54Å; C81-V88 HydrophobicContact CB-CG2 3.98Å
82	R	95.8	Very high	95	Very high	152 Å²	152	54.2 Å²	54.2	57%	0.574	27%	0.266	S	S	*	.	H	α-helix	trans	-63.3	-39	179	-170.2	177.3	-179.6	116.7	-4.1	112.6	L78 L79 R80 V84 G85 V88	L78-R82 WeakPolarHBondContact O-CB 3.45Å; L78-R82 PolarHBondContact O-N 2.8Å; L78-R82 VanDerWaalsContact O-N 3.12Å; L79-R82 WeakPolarHBondContact O-CB 3.37Å; L79-R82 PolarHBondContact O-N 3.47Å; R80-R82 VanDerWaalsContact C-N 3.29Å; R80-R82 PolarHBondContact O-N 3.48Å; R82-V84 VanDerWaalsContact C-N 3.29Å; R82-V84 PolarHBondContact O-N 3.14Å; R82-G85 PolarHBondContact O-N 3.28Å; R82-V88 HydrophobicContact CB-CG2 4.13Å
83	E	95.4	Very high	95	Very high	132 Å²	132	50 Å²	50	62%	0.617	25%	0.254	S	S	*	.	H	α-helix	trans	-59.9	-38.2	175.1	-73.7	170.9	-175	0	0	112.4	L79 R80 C81 G85	L79-E83 WeakPolarHBondContact O-CG 3.45Å; L79-E83 PolarHBondContact O-N 3.35Å; R80-E83 WeakPolarHBondContact CD-OE2 3.33Å; R80-E83 IonicContact CZ-OE2 2.63Å; R80-E83 IonicContact NH1-OE2 3.76Å; R80-E83 PolarHBondContact NH1-OE2 3.34Å; R80-E83 WeakPolarHBondContact O-CB 3.43Å; R80-E83 PolarHBondContact O-N 3.15Å; C81-E83 VanDerWaalsContact C-N 3.35Å; C81-E83 PolarHBondContact O-N 2.76Å; E83-G85 VanDerWaalsContact C-N 3.3Å
84	V	93.6	Very high	95.1	Very high	25 Å²	25	51.6 Å²	51.6	15%	0.152	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	12.7	-179.6	-55.8	0	0	0	0	113.3	R80 C81 R82 I86 N159 I161	R80-V84 VanDerWaalsContact CZ-CG1 3.5Å; R80-V84 WeakPolarHBondContact O-CG2 3.5Å; R80-V84 PolarHBondContact O-N 2.97Å; R80-V84 VanDerWaalsContact O-N 3.17Å; C81-V84 CarbonylContact O-C 3.47Å; C81-V84 VanDerWaalsContact O-CG2 3.28Å; C81-V84 WeakPolarHBondContact O-CG2 3.44Å; C81-V84 PolarHBondContact O-N 3.21Å; R82-V84 VanDerWaalsContact C-N 3.29Å; R82-V84 PolarHBondContact O-N 3.14Å; V84-I86 VanDerWaalsContact C-N 3.31Å; V84-I86 HydrophobicContact CG2-CB 4.44Å; V84-I86 HydrophobicContact CG2-CD1 3.67Å; V84-I86 HydrophobicContact CG2-CG1 3.88Å; V84-I86 PolarHBondContact O-N 3.4Å; V84-N159 HydrophobicContact CG1-CB 4.35Å; V84-N159 WeakPolarHBondContact CG1-OD1 3.29Å; V84-N159 HydrophobicContact CG2-CB 4.19Å; V84-I161 HydrophobicContact CG2-CD1 4.03Å
85	G	94.6	Very high	95.1	Very high	59 Å²	59	52.3 Å²	52.3	61%	0.608	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	15	177.4	0	0	0	0	0	115.1	C81 R82 E83	C81-G85 PolarHBondContact O-N 3.14Å; R82-G85 PolarHBondContact O-N 3.28Å; E83-G85 VanDerWaalsContact C-N 3.3Å
86	I	95.7	Very high	94.9	Very high	3 Å²	3	54 Å²	54	2%	0.015	28%	0.275	C	S	.	.			trans	-81.8	123.2	169.5	-62.8	167.4	0	0	0	108	C81 V84 V88 L152 Q155 L156 I161 P189	C81-I86 CarbonylContact C-O 3.55Å; C81-I86 HydrophobicContact CB-CB 3.92Å; C81-I86 HydrophobicContact CB-CG2 4.13Å; C81-I86 WeakPolarHBondContact O-CA 3.49Å; C81-I86 WeakPolarHBondContact O-CB 3.4Å; C81-I86 PolarHBondContact O-N 3.41Å; V84-I86 VanDerWaalsContact C-N 3.31Å; V84-I86 HydrophobicContact CG2-CB 4.44Å; V84-I86 HydrophobicContact CG2-CD1 3.67Å; V84-I86 HydrophobicContact CG2-CG1 3.88Å; V84-I86 PolarHBondContact O-N 3.4Å; I86-V88 HydrophobicContact CG2-CG1 4.29Å; I86-V88 PolarHBondContact O-N 3.21Å; I86-L152 HydrophobicContact CG2-CD1 3.81Å; I86-Q155 HydrophobicContact CD1-CB 3.9Å; I86-Q155 HydrophobicContact CG1-CB 3.84Å; I86-L156 HydrophobicContact CD1-CD2 3.84Å; I86-L156 HydrophobicContact CD1-CG 4.22Å; I86-I161 HydrophobicContact CD1-CD1 4.09Å; I86-P189 HydrophobicContact CG2-CG 4.23Å
87	D	95.4	Very high	94.7	Very high	62 Å²	62	55.2 Å²	55.2	33%	0.332	28%	0.28	S	S	.	.			trans	-71	126.5	-179.6	-172.3	29.8	0	0	0	111.2	R186 V188 P189	D87-R186 VanDerWaalsContact CG-NH2 3.34Å; D87-R186 IonicContact OD1-NH2 2.64Å; D87-R186 PolarHBondContact OD1-NH2 2.69Å; D87-R186 IonicContact OD2-CZ 2.83Å; D87-R186 IonicContact OD2-NE 2.74Å; D87-R186 PolarHBondContact OD2-NE 3.45Å; D87-R186 IonicContact OD2-NH2 3.19Å; D87-R186 PolarHBondContact OD2-NH2 3.17Å; D87-V188 HydrophobicContact CB-CG2 4.43Å; D87-V188 WeakPolarHBondContact OD2-CG2 3.43Å; D87-P189 WeakPolarHBondContact O-CD 3.36Å
88	V	96.8	Very high	94.6	Very high	6 Å²	6	58.9 Å²	58.9	4%	0.036	29%	0.294	C	S	.	.			trans	-147.9	157.7	-175.4	-71.1	0	0	0	0	109.8	L78 C81 R82 I86 P189 F192	L78-V88 HydrophobicContact CD2-CB 3.79Å; L78-V88 HydrophobicContact CD2-CG1 4.2Å; L78-V88 HydrophobicContact CD2-CG2 4.24Å; L78-V88 VanDerWaalsContact O-CG2 3.31Å; L78-V88 WeakPolarHBondContact O-CG2 3.44Å; C81-V88 HydrophobicContact CB-CB 4.41Å; C81-V88 HydrophobicContact CB-CG1 3.54Å; C81-V88 HydrophobicContact CB-CG2 3.98Å; R82-V88 HydrophobicContact CB-CG2 4.13Å; I86-V88 HydrophobicContact CG2-CG1 4.29Å; I86-V88 PolarHBondContact O-N 3.21Å; V88-P189 HydrophobicContact CG1-CG 4.01Å; V88-F192 HydrophobicContact CG1-CE2 4.18Å
89	P	96	Very high	94.6	Very high	8 Å²	8	61.9 Å²	61.9	5%	0.052	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-54.9	128.3	173.1	-23.2	33.3	0	0	0	110.7	V91 L103 V106 V188 V190	P89-V91 PolarHBondContact O-N 3.38Å; P89-L103 HydrophobicContact CB-CB 3.93Å; P89-L103 HydrophobicContact CB-CD1 4.38Å; P89-L103 HydrophobicContact CB-CD2 4.5Å; P89-L103 HydrophobicContact CB-CG 4.5Å; P89-V106 HydrophobicContact CB-CG2 4.34Å; P89-V106 HydrophobicContact CG-CG2 3.74Å; P89-V188 HydrophobicContact CG-CG1 4.35Å; P89-V190 HydrophobicContact CG-CG1 3.72Å
90	P	95	Very high	94.6	Very high	42 Å²	42	59.6 Å²	59.6	27%	0.273	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-64.8	133.7	177.2	25	-31.6	0	0	0	109.6	L92 L103 G104	P90-L92 HydrophobicContact CB-CD2 4.4Å; P90-L92 HydrophobicContact CG-CD2 4.37Å; P90-L92 PolarHBondContact O-N 3.48Å; P90-L103 CarbonylContact O-C 3.51Å; P90-L103 VanDerWaalsContact O-CA 3.25Å; P90-L103 WeakPolarHBondContact O-CA 3.47Å; P90-G104 PolarHBondContact O-N 2.73Å
91	V	95.6	Very high	94.6	Very high	42 Å²	42	55 Å²	55	26%	0.255	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.4	171.4	-177.1	0	0	0	0	108.6	V75 L78 P89 V94 I101 L103	V75-V91 HydrophobicContact CG1-CG1 4.31Å; L78-V91 HydrophobicContact CB-CG2 3.76Å; L78-V91 HydrophobicContact CD1-CG2 3.71Å; L78-V91 HydrophobicContact CG-CG2 4.4Å; P89-V91 PolarHBondContact O-N 3.38Å; V91-V94 HydrophobicContact CG1-CG2 3.62Å; V91-I101 HydrophobicContact CG1-CG2 4.49Å; V91-L103 HydrophobicContact CG2-CD2 3.99Å
92	L	93.9	Very high	94.6	Very high	61 Å²	61	55.1 Å²	55.1	32%	0.319	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-45.1	-174.9	-56.2	168.6	0	0	0	111.9	L38 F45 C47 P90 W102 L103	L38-L92 HydrophobicContact CD2-CB 4.02Å; L38-L92 HydrophobicContact CD2-CD1 4.41Å; F45-L92 HydrophobicContact CD2-CD1 4.05Å; F45-L92 HydrophobicContact CE2-CD1 3.57Å; F45-L92 HydrophobicContact CE2-CD2 3.81Å; F45-L92 HydrophobicContact CE2-CG 4.14Å; C47-L92 HydrophobicContact CB-CD1 3.52Å; P90-L92 HydrophobicContact CB-CD2 4.4Å; P90-L92 HydrophobicContact CG-CD2 4.37Å; P90-L92 PolarHBondContact O-N 3.48Å; L92-W102 HydrophobicContact CB-CB 4.11Å; L92-W102 WeakPolarHBondContact CB-O 3.35Å; L92-W102 PolarHBondContact N-O 2.81Å; L92-L103 VanDerWaalsContact CD1-C 3.46Å
93	L	93.6	Very high	94.6	Very high	64 Å²	64	48.6 Å²	48.6	34%	0.335	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	146.2	-179.4	179.6	66.3	0	0	0	109.4	W102	L93-W102 HydrophobicContact CB-CB 3.96Å; L93-W102 HydrophobicContact CB-CD2 4.1Å; L93-W102 HydrophobicContact CB-CE3 3.89Å; L93-W102 HydrophobicContact CB-CG 4.13Å; L93-W102 HydrophobicContact CD2-CD2 3.96Å; L93-W102 HydrophobicContact CD2-CE3 3.81Å; L93-W102 HydrophobicContact CD2-CH2 4.35Å; L93-W102 HydrophobicContact CD2-CZ2 4.49Å; L93-W102 HydrophobicContact CD2-CZ3 4.01Å; L93-W102 HydrophobicContact CG-CD2 4.3Å; L93-W102 HydrophobicContact CG-CE3 3.82Å; L93-W102 HydrophobicContact CG-CZ3 4.19Å; L93-W102 PolarHBondContact N-O 2.76Å; L93-W102 PolarHBondContact O-N 3.19Å
94	V	94.9	Very high	94.6	Very high	53 Å²	53	42.7 Å²	42.7	32%	0.321	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.8	174.6	-174.8	0	0	0	0	108.3	M71 V75 V91 V96 I101	M71-V94 HydrophobicContact CE-CG1 4.16Å; V75-V94 HydrophobicContact CG1-CG2 4.25Å; V75-V94 HydrophobicContact CG2-CG1 4.24Å; V75-V94 HydrophobicContact CG2-CG2 3.68Å; V91-V94 HydrophobicContact CG1-CG2 3.62Å; V94-V96 HydrophobicContact CG1-CG2 4.02Å; V94-I101 HydrophobicContact CG2-CG2 4.48Å
95	D	94.1	Very high	94.5	Very high	18 Å²	18	45.6 Å²	45.6	10%	0.096	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	96	170.9	-173.3	-22.6	0	0	0	108.9	R97 R98 R99 R100 W102	D95-R97 VanDerWaalsContact C-N 3.29Å; D95-R97 PolarHBondContact O-N 2.95Å; D95-R97 WeakPolarHBondContact OD1-CA 3.14Å; D95-R97 WeakPolarHBondContact OD1-CB 3.45Å; D95-R97 PolarHBondContact OD1-N 2.63Å; D95-R98 HydrophobicContact CB-CB 4.29Å; D95-R98 PolarHBondContact OD1-N 2.84Å; D95-R98 WeakPolarHBondContact OD2-CD 3.32Å; D95-R98 VanDerWaalsContact OD2-CG 3.24Å; D95-R98 WeakPolarHBondContact OD2-CG 3.35Å; D95-R98 IonicContact OD2-NE 3.87Å; D95-R99 WeakPolarHBondContact O-CA 3.17Å; D95-R99 PolarHBondContact O-N 3.31Å; D95-R100 PolarHBondContact N-O 2.9Å; D95-R100 PolarHBondContact O-N 3.19Å; D95-W102 HydrophobicContact CB-CH2 3.96Å; D95-W102 HydrophobicContact CB-CZ3 3.59Å
96	V	91.1	Very high	94.3	Very high	59 Å²	59	43.4 Å²	43.4	36%	0.358	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.2	179.7	177.8	0	0	0	0	112.1	M68 V94 R99	M68-V96 HydrophobicContact CE-CG1 3.07Å; M68-V96 HydrophobicContact SD-CG1 3.24Å; M68-V96 WeakPolarHBondContact SD-CG1 3.49Å; V94-V96 HydrophobicContact CG1-CG2 4.02Å; V96-R99 PolarHBondContact O-N 2.74Å
97	R	90.5	Very high	93.8	Very high	183 Å²	183	44.3 Å²	44.3	69%	0.691	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-42.8	-177.6	-178.2	-174.4	60.9	126.3	-3.8	110.7	D95 R99	D95-R97 VanDerWaalsContact C-N 3.29Å; D95-R97 PolarHBondContact O-N 2.95Å; D95-R97 WeakPolarHBondContact OD1-CA 3.14Å; D95-R97 WeakPolarHBondContact OD1-CB 3.45Å; D95-R97 PolarHBondContact OD1-N 2.63Å; R97-R99 VanDerWaalsContact C-N 3.27Å
98	R	92.9	Very high	93.2	Very high	81 Å²	81	45.8 Å²	45.8	31%	0.306	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-3.4	174.8	-65.4	-176	175.7	165.3	-3.5	113.3	D95 R100	D95-R98 HydrophobicContact CB-CB 4.29Å; D95-R98 PolarHBondContact OD1-N 2.84Å; D95-R98 WeakPolarHBondContact OD2-CD 3.32Å; D95-R98 VanDerWaalsContact OD2-CG 3.24Å; D95-R98 WeakPolarHBondContact OD2-CG 3.35Å; D95-R98 IonicContact OD2-NE 3.87Å; R98-R100 VanDerWaalsContact C-N 3.33Å; R98-R100 HydrophobicContact CB-CG 4.28Å
99	R	95.2	Very high	92.7	Very high	67 Å²	67	52.6 Å²	52.6	25%	0.253	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	42.1	-175.4	-58	177.7	-64.3	-85	-17.7	113.1	E51 R52 V54 S67 M71 D95 V96 R97	E51-R99 WeakPolarHBondContact CA-O 3.4Å; R52-R99 HydrophobicContact CB-CB 4.19Å; R52-R99 PolarHBondContact N-O 3.18Å; R52-R99 WeakPolarHBondContact O-CB 3.4Å; R52-R99 WeakPolarHBondContact O-CD 3.29Å; R52-R99 PolarHBondContact O-NE 2.81Å; V54-R99 VanDerWaalsContact CG2-NH2 3.29Å; S67-R99 VanDerWaalsContact OG-CD 3.26Å; S67-R99 WeakPolarHBondContact OG-CD 3.45Å; M71-R99 VanDerWaalsContact SD-CA 3.51Å; M71-R99 HydrophobicContact SD-CB 4Å; M71-R99 HydrophobicContact SD-CG 4.43Å; D95-R99 WeakPolarHBondContact O-CA 3.17Å; D95-R99 PolarHBondContact O-N 3.31Å; V96-R99 PolarHBondContact O-N 2.74Å; R97-R99 VanDerWaalsContact C-N 3.27Å
100	R	95.7	Very high	92.6	Very high	37 Å²	37	53.5 Å²	53.5	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.6	-176	-71.2	-179.9	178.8	-143.7	-7.3	112.1	E22 V49 K50 E51 D95 R98 W102	E22-R100 IonicContact OE1-NH1 2.61Å; E22-R100 PolarHBondContact OE1-NH1 3.11Å; E22-R100 IonicContact OE2-CZ 3.08Å; E22-R100 IonicContact OE2-NH1 3.94Å; E22-R100 PolarHBondContact OE2-NH1 3.15Å; E22-R100 IonicContact OE2-NH2 2.73Å; V49-R100 HydrophobicContact CG1-CB 4.09Å; V49-R100 HydrophobicContact CG1-CG 4.07Å; K50-R100 CarbonylContact O-C 3.57Å; K50-R100 VanDerWaalsContact O-CA 3.29Å; K50-R100 WeakPolarHBondContact O-CA 3.3Å; E51-R100 HydrophobicContact CB-CG 3.86Å; E51-R100 VanDerWaalsContact CD-NE 3.32Å; E51-R100 VanDerWaalsContact CD-NH2 3.27Å; E51-R100 HydrophobicContact CG-CG 3.79Å; E51-R100 IonicContact OE1-CZ 3.17Å; E51-R100 IonicContact OE1-NE 3.94Å; E51-R100 PolarHBondContact OE1-NE 3.2Å; E51-R100 IonicContact OE1-NH2 3.9Å; E51-R100 PolarHBondContact OE1-NH2 3.41Å; E51-R100 IonicContact OE2-CZ 3.78Å; E51-R100 IonicContact OE2-NE 3.28Å; E51-R100 IonicContact OE2-NH2 2.91Å; E51-R100 PolarHBondContact OE2-NH2 2.95Å; E51-R100 VanDerWaalsContact OE2-NH2 3.17Å; D95-R100 PolarHBondContact N-O 2.9Å; D95-R100 PolarHBondContact O-N 3.19Å; R98-R100 VanDerWaalsContact C-N 3.33Å; R98-R100 HydrophobicContact CB-CG 4.28Å; R100-W102 HydrophobicContact CB-CE3 4.07Å; R100-W102 HydrophobicContact CB-CH2 3.35Å; R100-W102 HydrophobicContact CB-CZ2 4.2Å; R100-W102 HydrophobicContact CB-CZ3 3.27Å; R100-W102 HydrophobicContact CG-CH2 4.14Å; R100-W102 HydrophobicContact CG-CZ3 4.48Å
101	I	95.8	Very high	92.6	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.5	171.7	-52.8	174.6	0	0	0	107.4	V49 K50 M71 E74 V75 V91 V94 L103	V49-I101 WeakPolarHBondContact CA-O 3.42Å; K50-I101 PolarHBondContact N-O 3.4Å; K50-I101 PolarHBondContact O-N 3.45Å; M71-I101 HydrophobicContact CB-CD1 4.27Å; M71-I101 HydrophobicContact CE-CD1 4.45Å; M71-I101 HydrophobicContact CE-CG1 3.83Å; M71-I101 HydrophobicContact CG-CD1 4.17Å; E74-I101 HydrophobicContact CB-CD1 4.42Å; E74-I101 HydrophobicContact CG-CD1 4.27Å; V75-I101 HydrophobicContact CG2-CD1 3.97Å; V75-I101 HydrophobicContact CG2-CG1 4.43Å; V75-I101 HydrophobicContact CG2-CG2 4.33Å; V91-I101 HydrophobicContact CG1-CG2 4.49Å; V94-I101 HydrophobicContact CG2-CG2 4.48Å; I101-L103 HydrophobicContact CG2-CD2 3.62Å; I101-L103 HydrophobicContact CG2-CG 3.97Å
102	W	95.4	Very high	92.6	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.2	172	-68.6	-112.9	0	0	0	108.4	L19 I48 V49 L92 L93 D95 R100	L19-W102 HydrophobicContact CD1-CZ2 4.28Å; I48-W102 CarbonylContact O-C 3.57Å; I48-W102 WeakPolarHBondContact O-CA 3.28Å; V49-W102 HydrophobicContact CG1-CD2 4.36Å; V49-W102 HydrophobicContact CG1-CZ2 4.29Å; V49-W102 VanDerWaalsContact CG2-CD1 3.42Å; V49-W102 HydrophobicContact CG2-CD2 4.28Å; V49-W102 HydrophobicContact CG2-CG 4Å; V49-W102 VanDerWaalsContact CG2-NE1 3.3Å; L92-W102 HydrophobicContact CB-CB 4.11Å; L92-W102 WeakPolarHBondContact CB-O 3.35Å; L92-W102 PolarHBondContact N-O 2.81Å; L93-W102 HydrophobicContact CB-CB 3.96Å; L93-W102 HydrophobicContact CB-CD2 4.1Å; L93-W102 HydrophobicContact CB-CE3 3.89Å; L93-W102 HydrophobicContact CB-CG 4.13Å; L93-W102 HydrophobicContact CD2-CD2 3.96Å; L93-W102 HydrophobicContact CD2-CE3 3.81Å; L93-W102 HydrophobicContact CD2-CH2 4.35Å; L93-W102 HydrophobicContact CD2-CZ2 4.49Å; L93-W102 HydrophobicContact CD2-CZ3 4.01Å; L93-W102 HydrophobicContact CG-CD2 4.3Å; L93-W102 HydrophobicContact CG-CE3 3.82Å; L93-W102 HydrophobicContact CG-CZ3 4.19Å; L93-W102 PolarHBondContact N-O 2.76Å; L93-W102 PolarHBondContact O-N 3.19Å; D95-W102 HydrophobicContact CB-CH2 3.96Å; D95-W102 HydrophobicContact CB-CZ3 3.59Å; R100-W102 HydrophobicContact CB-CE3 4.07Å; R100-W102 HydrophobicContact CB-CH2 3.35Å; R100-W102 HydrophobicContact CB-CZ2 4.2Å; R100-W102 HydrophobicContact CB-CZ3 3.27Å; R100-W102 HydrophobicContact CG-CH2 4.14Å; R100-W102 HydrophobicContact CG-CZ3 4.48Å
103	L	95.7	Very high	92.8	Very high	15 Å²	15	49.3 Å²	49.3	8%	0.079	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.1	-177.5	-60.1	176.1	0	0	0	109.2	C47 I48 L78 P89 P90 V91 L92 I101	C47-L103 CarbonylContact C-O 3.56Å; C47-L103 WeakPolarHBondContact CA-O 3.29Å; C47-L103 WeakPolarHBondContact CB-O 3.32Å; I48-L103 HydrophobicContact CB-CB 4.44Å; I48-L103 PolarHBondContact N-O 3.02Å; I48-L103 PolarHBondContact O-N 3.46Å; L78-L103 HydrophobicContact CD1-CD2 3.65Å; P89-L103 HydrophobicContact CB-CB 3.93Å; P89-L103 HydrophobicContact CB-CD1 4.38Å; P89-L103 HydrophobicContact CB-CD2 4.5Å; P89-L103 HydrophobicContact CB-CG 4.5Å; P90-L103 CarbonylContact O-C 3.51Å; P90-L103 VanDerWaalsContact O-CA 3.25Å; P90-L103 WeakPolarHBondContact O-CA 3.47Å; V91-L103 HydrophobicContact CG2-CD2 3.99Å; L92-L103 VanDerWaalsContact CD1-C 3.46Å; I101-L103 HydrophobicContact CG2-CD2 3.62Å; I101-L103 HydrophobicContact CG2-CG 3.97Å
104	G	94.3	Very high	92.9	Very high	8 Å²	8	49.1 Å²	49.1	8%	0.082	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	148.9	171.2	0	0	0	0	0	111.1	P90	P90-G104 PolarHBondContact O-N 2.73Å
105	E	92.9	Very high	92.9	Very high	87 Å²	87	49.5 Å²	49.5	41%	0.407	25%	0.253	S	S	.	.			trans	-69.9	141.3	176.1	-169.6	174.6	-162	0	0	111.2	P46 G107	P46-E105 WeakPolarHBondContact CB-OE2 3.45Å; E105-G107 PolarHBondContact O-N 2.83Å
106	V	90.6	Very high	92.9	Very high	12 Å²	12	49.9 Å²	49.9	7%	0.073	25%	0.253	C	S	.	.			trans	-83.6	63.3	179.9	-175.3	0	0	0	0	110	P89 A110 L172 V188	P89-V106 HydrophobicContact CB-CG2 4.34Å; P89-V106 HydrophobicContact CG-CG2 3.74Å; V106-A110 HydrophobicContact CB-CB 4.26Å; V106-A110 HydrophobicContact CG1-CB 4.15Å; V106-A110 WeakPolarHBondContact O-CB 3.43Å; V106-L172 HydrophobicContact CB-CD1 3.85Å; V106-L172 HydrophobicContact CG1-CD1 4.34Å; V106-L172 HydrophobicContact CG2-CD1 3.68Å; V106-V188 HydrophobicContact CG1-CB 3.81Å; V106-V188 HydrophobicContact CG1-CG1 3.99Å; V106-V188 HydrophobicContact CG1-CG2 3.58Å; V106-V188 HydrophobicContact CG2-CG1 3.89Å
107	G	85.3	Confident	93	Very high	22 Å²	22	47.5 Å²	47.5	23%	0.227	24%	0.238	C	C	.	.			trans	59.8	170.3	175	0	0	0	0	0	116.1	E105	E105-G107 PolarHBondContact O-N 2.83Å
108	P	82.1	Confident	93.2	Very high	93 Å²	93	43.8 Å²	43.8	60%	0.604	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	140.5	176.7	29.3	-33.7	0	0	0	110.6	A110 Q174	P108-A110 VanDerWaalsContact C-N 3.29Å; P108-A110 PolarHBondContact O-N 2.86Å; P108-Q174 PolarHBondContact O-NE2 2.95Å
109	N	87	Confident	93.1	Very high	149 Å²	149	45.4 Å²	45.4	80%	0.797	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	8.9	175.4	-46.3	-44.4	0	0	0	116.7	V111	N109-V111 PolarHBondContact O-N 2.86Å
110	A	94.1	Very high	92.8	Very high	28 Å²	28	42.8 Å²	42.8	23%	0.231	23%	0.227	C	C	.	.			trans	-64.7	135.4	167.9	0	0	0	0	0	110.3	V106 P108 V173 Q174	V106-A110 HydrophobicContact CB-CB 4.26Å; V106-A110 HydrophobicContact CG1-CB 4.15Å; V106-A110 WeakPolarHBondContact O-CB 3.43Å; P108-A110 VanDerWaalsContact C-N 3.29Å; P108-A110 PolarHBondContact O-N 2.86Å; A110-V173 WeakPolarHBondContact CA-O 2.91Å; A110-Q174 HydrophobicContact CB-CB 4.21Å
111	V	94.9	Very high	92.5	Very high	30 Å²	30	42 Å²	42	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	160.7	176.2	-67	0	0	0	0	109.8	N109 D115 W116 L172 V173	N109-V111 PolarHBondContact O-N 2.86Å; V111-D115 HydrophobicContact CB-CB 4.49Å; V111-W116 HydrophobicContact CG2-CB 4Å; V111-L172 CarbonylContact O-C 3.49Å; V111-L172 WeakPolarHBondContact O-CA 3.19Å; V111-V173 HydrophobicContact CG2-CG2 3.92Å; V111-V173 PolarHBondContact N-O 3.17Å; V111-V173 PolarHBondContact O-N 3.41Å
112	T	95.8	Very high	92.1	Very high	27 Å²	27	44.3 Å²	44.3	17%	0.166	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	147.5	170.7	71.1	0	0	0	0	109.8	Q114 D115 W116 I171 L172	T112-Q114 PolarHBondContact O-N 2.93Å; T112-D115 PolarHBondContact O-N 3.35Å; T112-D115 WeakPolarHBondContact OG1-CB 3.3Å; T112-D115 PolarHBondContact OG1-N 3.3Å; T112-D115 PolarHBondContact OG1-OD2 3.27Å; T112-W116 PolarHBondContact O-N 3.37Å; T112-I171 CarbonylContact C-O 3.52Å; T112-I171 WeakPolarHBondContact CA-O 3.35Å; T112-L172 HydrophobicContact CG2-CD2 3.99Å
113	L	96.7	Very high	91.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.2	-36.7	173.8	-179.2	63.8	0	0	0	110.1	W116 F117 L145 L149 M168 I171 V173 F217	L113-W116 PolarHBondContact O-N 2.9Å; L113-F117 HydrophobicContact CD1-CD2 3.96Å; L113-F117 HydrophobicContact CD1-CE2 3.66Å; L113-F117 HydrophobicContact CG-CD2 4.09Å; L113-F117 HydrophobicContact CG-CE2 4.04Å; L113-F117 WeakPolarHBondContact O-CD2 3.45Å; L113-F117 PolarHBondContact O-N 3.48Å; L113-L145 HydrophobicContact CD1-CD1 3.97Å; L113-L145 HydrophobicContact CD1-CD2 3.95Å; L113-L145 HydrophobicContact CD1-CG 4.38Å; L113-L149 HydrophobicContact CD1-CD1 4.33Å; L113-L149 HydrophobicContact CD2-CD1 4.04Å; L113-L149 HydrophobicContact CD2-CD2 3.84Å; L113-M168 WeakPolarHBondContact CB-O 3.43Å; L113-M168 HydrophobicContact CD1-CE 4.47Å; L113-M168 HydrophobicContact CD2-CE 3.71Å; L113-M168 HydrophobicContact CD2-SD 3.36Å; L113-M168 WeakPolarHBondContact CD2-SD 3.14Å; L113-M168 HydrophobicContact CG-CE 3.55Å; L113-M168 HydrophobicContact CG-SD 3.84Å; L113-M168 PolarHBondContact N-O 3.08Å; L113-I171 HydrophobicContact CB-CB 4.12Å; L113-I171 HydrophobicContact CB-CG2 4.23Å; L113-I171 HydrophobicContact CD2-CB 4.33Å; L113-I171 HydrophobicContact CD2-CD1 4.28Å; L113-I171 HydrophobicContact CD2-CG2 4.31Å; L113-I171 PolarHBondContact N-O 3.22Å; L113-V173 HydrophobicContact CB-CG1 4.05Å; L113-V173 HydrophobicContact CD1-CG1 3.7Å; L113-V173 HydrophobicContact CG-CG1 4.45Å; L113-F217 HydrophobicContact CD2-CE2 4.21Å; L113-F217 HydrophobicContact CD2-CZ 4.27Å
114	Q	95.3	Very high	90.9	Very high	60 Å²	60	48.1 Å²	48.1	28%	0.28	26%	0.263	S	S	.	.	H	α-helix	trans	-57.9	-49.2	172.9	-162.7	-172.3	51.4	0	0	112.1	T112 W116 F117 K118 M168	T112-Q114 PolarHBondContact O-N 2.93Å; Q114-W116 VanDerWaalsContact C-N 3.33Å; Q114-F117 PolarHBondContact O-N 3.48Å; Q114-K118 WeakPolarHBondContact O-CG 3.37Å; Q114-K118 PolarHBondContact O-N 3.01Å; Q114-M168 HydrophobicContact CB-CB 3.78Å; Q114-M168 HydrophobicContact CG-CB 4.32Å; Q114-M168 PolarHBondContact N-O 3.45Å
115	D	94.8	Very high	90.2	Very high	61 Å²	61	53 Å²	53	33%	0.326	29%	0.292	S	S	.	.	H	α-helix	trans	-71.5	-30.1	-179.1	-63	-34.9	0	0	0	112.3	V111 T112 K118 K119	V111-D115 HydrophobicContact CB-CB 4.49Å; T112-D115 PolarHBondContact O-N 3.35Å; T112-D115 WeakPolarHBondContact OG1-CB 3.3Å; T112-D115 PolarHBondContact OG1-N 3.3Å; T112-D115 PolarHBondContact OG1-OD2 3.27Å; D115-K118 PolarHBondContact O-N 3.41Å; D115-K118 IonicContact OD1-NZ 3.17Å; D115-K118 PolarHBondContact OD1-NZ 2.92Å; D115-K119 WeakPolarHBondContact O-CB 3.45Å; D115-K119 VanDerWaalsContact O-CG 3.29Å; D115-K119 WeakPolarHBondContact O-CG 3.44Å; D115-K119 PolarHBondContact O-N 3.5Å
116	W	94.9	Very high	89.4	Confident	25 Å²	25	57.4 Å²	57.4	10%	0.095	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-47.7	171	-171.2	93.1	0	0	0	111.2	V111 T112 L113 Q114 K119 L120 L142 L145 V173 F185	V111-W116 HydrophobicContact CG2-CB 4Å; T112-W116 PolarHBondContact O-N 3.37Å; L113-W116 PolarHBondContact O-N 2.9Å; Q114-W116 VanDerWaalsContact C-N 3.33Å; W116-K119 WeakPolarHBondContact O-CB 3.36Å; W116-K119 PolarHBondContact O-N 2.74Å; W116-L120 HydrophobicContact CH2-CD1 4.44Å; W116-L120 HydrophobicContact CH2-CD2 4.07Å; W116-L120 HydrophobicContact CZ3-CB 4.44Å; W116-L120 HydrophobicContact CZ3-CD2 3.79Å; W116-L120 PolarHBondContact O-N 2.85Å; W116-L142 HydrophobicContact CH2-CD2 3.95Å; W116-L142 HydrophobicContact CH2-CG 4.46Å; W116-L142 HydrophobicContact CZ3-CD2 3.86Å; W116-L145 HydrophobicContact CD2-CD2 4.27Å; W116-L145 HydrophobicContact CE3-CD2 3.67Å; W116-L145 HydrophobicContact CH2-CD2 3.84Å; W116-L145 HydrophobicContact CZ2-CD2 4.4Å; W116-L145 HydrophobicContact CZ3-CD2 3.42Å; W116-L145 VanDerWaalsContact CZ3-CD2 3.42Å; W116-V173 HydrophobicContact CB-CG2 3.58Å; W116-V173 HydrophobicContact CG-CG2 3.8Å; W116-F185 AromaticContact CE2-CE1 3.96Å; W116-F185 HydrophobicContact CZ2-CE1 4.08Å; W116-F185 AromaticContact CZ2-CZ 3.86Å; W116-F185 HydrophobicContact CZ2-CZ 3.86Å; W116-F185 AromaticContact NE1-CE1 3.75Å
117	F	93.9	Very high	88	Confident	10 Å²	10	58.7 Å²	58.7	4%	0.044	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-36.5	175.4	-83.8	-72.7	0	0	0	113	L113 Q114 K119 L120 S121 L142 L145 M168 L225 L246	L113-F117 HydrophobicContact CD1-CD2 3.96Å; L113-F117 HydrophobicContact CD1-CE2 3.66Å; L113-F117 HydrophobicContact CG-CD2 4.09Å; L113-F117 HydrophobicContact CG-CE2 4.04Å; L113-F117 WeakPolarHBondContact O-CD2 3.45Å; L113-F117 PolarHBondContact O-N 3.48Å; Q114-F117 PolarHBondContact O-N 3.48Å; F117-K119 VanDerWaalsContact C-N 3.32Å; F117-K119 PolarHBondContact O-N 2.77Å; F117-L120 HydrophobicContact CD1-CD2 4.06Å; F117-L120 HydrophobicContact CE1-CD2 4.3Å; F117-L120 WeakPolarHBondContact O-CB 3.3Å; F117-L120 PolarHBondContact O-N 3.14Å; F117-S121 PolarHBondContact O-N 3.01Å; F117-S121 PolarHBondContact O-OG 2.92Å; F117-L142 HydrophobicContact CE1-CD2 3.71Å; F117-L142 HydrophobicContact CZ-CD2 4.12Å; F117-L145 HydrophobicContact CE2-CD2 4.03Å; F117-L145 HydrophobicContact CZ-CD2 3.94Å; F117-M168 HydrophobicContact CD2-CE 3.26Å; F117-M168 HydrophobicContact CE2-CE 3.44Å; F117-M168 VanDerWaalsContact CE2-CE 3.44Å; F117-M168 HydrophobicContact CG-CE 4.29Å; F117-L225 HydrophobicContact CB-CD2 3.75Å; F117-L225 HydrophobicContact CD1-CD2 3.16Å; F117-L225 HydrophobicContact CD2-CD2 3.76Å; F117-L225 HydrophobicContact CE1-CD2 3.53Å; F117-L225 HydrophobicContact CE2-CD2 4.08Å; F117-L225 HydrophobicContact CG-CD2 3.28Å; F117-L225 HydrophobicContact CZ-CD2 3.97Å; F117-L246 HydrophobicContact CE1-CD1 4.21Å; F117-L246 HydrophobicContact CZ-CD1 4.27Å
118	K	93.3	Very high	86.9	Confident	104 Å²	104	64.7 Å²	64.7	45%	0.452	35%	0.346	S	S	.	.	H	α-helix	trans	-60.4	-42.6	172.3	-71.8	174.6	-165.1	149	0	111.7	Q114 D115 L120 S121 S122	Q114-K118 WeakPolarHBondContact O-CG 3.37Å; Q114-K118 PolarHBondContact O-N 3.01Å; D115-K118 PolarHBondContact O-N 3.41Å; D115-K118 IonicContact OD1-NZ 3.17Å; D115-K118 PolarHBondContact OD1-NZ 2.92Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-S121 PolarHBondContact O-N 3.42Å; K118-S122 WeakPolarHBondContact O-CB 3.49Å; K118-S122 PolarHBondContact O-N 3.32Å
119	K	91.2	Very high	85.7	Confident	116 Å²	116	60.8 Å²	60.8	50%	0.504	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-46.5	174.8	-73.9	173.9	-178	-172.5	0	110.2	D115 W116 F117 S121 S122 L123	D115-K119 WeakPolarHBondContact O-CB 3.45Å; D115-K119 VanDerWaalsContact O-CG 3.29Å; D115-K119 WeakPolarHBondContact O-CG 3.44Å; D115-K119 PolarHBondContact O-N 3.5Å; W116-K119 WeakPolarHBondContact O-CB 3.36Å; W116-K119 PolarHBondContact O-N 2.74Å; F117-K119 VanDerWaalsContact C-N 3.32Å; F117-K119 PolarHBondContact O-N 2.77Å; K119-S121 PolarHBondContact O-N 3.36Å; K119-S122 PolarHBondContact O-N 3.27Å; K119-S122 VanDerWaalsContact O-N 3.17Å; K119-S122 PolarHBondContact O-OG 3.02Å; K119-L123 WeakPolarHBondContact O-CG 3.35Å; K119-L123 PolarHBondContact O-N 3.01Å; K119-L123 VanDerWaalsContact O-N 3.13Å
120	L	89.1	Confident	84.2	Confident	11 Å²	11	58.2 Å²	58.2	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-56.1	-49.8	175.7	-170.3	68.5	0	0	0	111.8	W116 F117 K118 S122 L123 A124 T138 L142 I233	W116-L120 HydrophobicContact CH2-CD1 4.44Å; W116-L120 HydrophobicContact CH2-CD2 4.07Å; W116-L120 HydrophobicContact CZ3-CB 4.44Å; W116-L120 HydrophobicContact CZ3-CD2 3.79Å; W116-L120 PolarHBondContact O-N 2.85Å; F117-L120 HydrophobicContact CD1-CD2 4.06Å; F117-L120 HydrophobicContact CE1-CD2 4.3Å; F117-L120 WeakPolarHBondContact O-CB 3.3Å; F117-L120 PolarHBondContact O-N 3.14Å; K118-L120 VanDerWaalsContact C-N 3.34Å; L120-S122 VanDerWaalsContact C-N 3.29Å; L120-S122 PolarHBondContact O-N 2.83Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 3.35Å; L120-L123 VanDerWaalsContact O-N 3.11Å; L120-A124 PolarHBondContact O-N 3.33Å; L120-T138 HydrophobicContact CD1-CG2 3.59Å; L120-L142 HydrophobicContact CD2-CD1 4.38Å; L120-L142 HydrophobicContact CD2-CD2 4.04Å; L120-L142 HydrophobicContact CD2-CG 4.46Å; L120-I233 HydrophobicContact CD1-CD1 4.31Å; L120-I233 HydrophobicContact CG-CD1 3.89Å; L120-I233 WeakPolarHBondContact O-CD1 3.25Å
121	S	89.4	Confident	82.9	Confident	21 Å²	21	60.4 Å²	60.4	15%	0.147	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-36.3	177.6	-59.5	0	0	0	0	112.8	F117 K118 K119 L123 A124 V125	F117-S121 PolarHBondContact O-N 3.01Å; F117-S121 PolarHBondContact O-OG 2.92Å; K118-S121 PolarHBondContact O-N 3.42Å; K119-S121 PolarHBondContact O-N 3.36Å; S121-L123 VanDerWaalsContact C-N 3.26Å; S121-L123 PolarHBondContact O-N 2.9Å; S121-A124 WeakPolarHBondContact O-CB 3.45Å; S121-A124 PolarHBondContact O-N 3.49Å; S121-A124 VanDerWaalsContact O-N 3.13Å; S121-V125 PolarHBondContact O-N 3Å
122	S	88.6	Confident	82	Confident	51 Å²	51	65.6 Å²	65.6	36%	0.357	35%	0.348	S	S	.	.	H	α-helix	trans	-65.3	-30.8	176.8	80.2	0	0	0	0	112.9	K118 K119 L120 K126	K118-S122 WeakPolarHBondContact O-CB 3.49Å; K118-S122 PolarHBondContact O-N 3.32Å; K119-S122 PolarHBondContact O-N 3.27Å; K119-S122 VanDerWaalsContact O-N 3.17Å; K119-S122 PolarHBondContact O-OG 3.02Å; L120-S122 VanDerWaalsContact C-N 3.29Å; L120-S122 PolarHBondContact O-N 2.83Å; S122-K126 WeakPolarHBondContact O-CG 3.46Å; S122-K126 PolarHBondContact O-N 2.99Å
123	L	83.8	Confident	81.3	Confident	94 Å²	94	70.7 Å²	70.7	49%	0.492	37%	0.374	S	S	.	.	H	α-helix	trans	-67.7	-42.8	171.9	-64.3	169.8	0	0	0	110	K119 L120 S121 V125 K126 S127 L129	K119-L123 WeakPolarHBondContact O-CG 3.35Å; K119-L123 PolarHBondContact O-N 3.01Å; K119-L123 VanDerWaalsContact O-N 3.13Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 3.35Å; L120-L123 VanDerWaalsContact O-N 3.11Å; S121-L123 VanDerWaalsContact C-N 3.26Å; S121-L123 PolarHBondContact O-N 2.9Å; L123-V125 PolarHBondContact O-N 3.28Å; L123-V125 VanDerWaalsContact O-N 3.11Å; L123-K126 PolarHBondContact O-N 3.28Å; L123-K126 VanDerWaalsContact O-N 3.15Å; L123-S127 PolarHBondContact O-N 2.88Å; L123-S127 PolarHBondContact O-OG 3.27Å; L123-L129 VanDerWaalsContact C-CD1 3.45Å; L123-L129 HydrophobicContact CB-CD1 4.49Å; L123-L129 WeakPolarHBondContact O-CD1 3.21Å
124	A	80.4	Confident	80.6	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.008	39%	0.392	C	S	.	.	H	α-helix	trans	-51.1	-37.5	176.6	0	0	0	0	0	114	L120 S121 L129 A229 K232 I233	L120-A124 PolarHBondContact O-N 3.33Å; S121-A124 WeakPolarHBondContact O-CB 3.45Å; S121-A124 PolarHBondContact O-N 3.49Å; S121-A124 VanDerWaalsContact O-N 3.13Å; A124-L129 VanDerWaalsContact CA-CD1 3.44Å; A124-A229 HydrophobicContact CB-CB 3.72Å; A124-K232 PolarHBondContact O-NZ 2.73Å; A124-I233 HydrophobicContact CB-CD1 3.44Å; A124-I233 VanDerWaalsContact CB-CD1 3.44Å; A124-I233 HydrophobicContact CB-CG1 3.59Å
125	V	80.3	Confident	80	Confident	112 Å²	112	72.7 Å²	72.7	68%	0.679	39%	0.385	S	S	*	.	H	α-helix	trans	-81	-39.9	-176.9	178.1	0	0	0	0	111.6	S121 L123	S121-V125 PolarHBondContact O-N 3Å; L123-V125 PolarHBondContact O-N 3.28Å; L123-V125 VanDerWaalsContact O-N 3.11Å
126	K	77	Confident	79.7	Confident	178 Å²	178	74.5 Å²	74.5	77%	0.774	39%	0.392	S	S	*	.	H	α-helix	trans	-79.8	-35	-171	-74.2	178.6	-179.9	180	0	113.9	S122 L123	S122-K126 WeakPolarHBondContact O-CG 3.46Å; S122-K126 PolarHBondContact O-N 2.99Å; L123-K126 PolarHBondContact O-N 3.28Å; L123-K126 VanDerWaalsContact O-N 3.15Å
127	S	61.2	Low	79.3	Confident	40 Å²	40	79.5 Å²	79.5	28%	0.28	41%	0.414	S	S	.	.	S	Bend	trans	-103	141.7	-174.9	23.9	0	0	0	0	111.9	L123 L129	L123-S127 PolarHBondContact O-N 2.88Å; L123-S127 PolarHBondContact O-OG 3.27Å; S127-L129 PolarHBondContact O-N 3.44Å; S127-L129 WeakPolarHBondContact OG-CD1 3.49Å; S127-L129 VanDerWaalsContact OG-CG 3.25Å; S127-L129 WeakPolarHBondContact OG-CG 3.48Å
128	D	60.1	Low	79	Confident	148 Å²	148	79.6 Å²	79.6	79%	0.791	42%	0.415	S	S	*	.			trans	-62.7	74.9	149.1	-81.6	-28.6	0	0	0	107.6	S130	D128-S130 PolarHBondContact O-N 3.17Å
129	L	57	Low	78.9	Confident	11 Å²	11	74.6 Å²	74.6	6%	0.058	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	39.1	177.1	-91.9	149.6	0	0	0	112	L123 A124 S127 I134 Q135 I233	L123-L129 VanDerWaalsContact C-CD1 3.45Å; L123-L129 HydrophobicContact CB-CD1 4.49Å; L123-L129 WeakPolarHBondContact O-CD1 3.21Å; A124-L129 VanDerWaalsContact CA-CD1 3.44Å; S127-L129 PolarHBondContact O-N 3.44Å; S127-L129 WeakPolarHBondContact OG-CD1 3.49Å; S127-L129 VanDerWaalsContact OG-CG 3.25Å; S127-L129 WeakPolarHBondContact OG-CG 3.48Å; L129-I134 HydrophobicContact CD2-CB 3.82Å; L129-I134 HydrophobicContact CD2-CD1 4.35Å; L129-I134 HydrophobicContact CD2-CG2 3.22Å; L129-Q135 WeakPolarHBondContact O-CG 3.29Å; L129-Q135 PolarHBondContact O-NE2 3.41Å; L129-I233 HydrophobicContact CD1-CG1 4.29Å
130	S	55.5	Low	78.9	Confident	94 Å²	94	71.3 Å²	71.3	66%	0.657	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.9	176.6	54.2	0	0	0	0	113	D128 M132	D128-S130 PolarHBondContact O-N 3.17Å; S130-M132 PolarHBondContact O-N 2.97Å
131	T	68.7	Low	79	Confident	75 Å²	75	71.9 Å²	71.9	46%	0.46	39%	0.388	S	S	.	.			trans	-74.5	116.3	169	31.4	0	0	0	0	109.5	D133 I134 Q135	T131-D133 PolarHBondContact O-N 3.42Å; T131-D133 VanDerWaalsContact O-N 3.09Å; T131-I134 PolarHBondContact O-N 3.23Å; T131-I134 VanDerWaalsContact O-N 3.07Å; T131-I134 WeakPolarHBondContact OG1-CD1 3.46Å; T131-Q135 PolarHBondContact O-N 2.88Å
132	M	75.3	Confident	79.2	Confident	139 Å²	139	70.9 Å²	70.9	69%	0.685	38%	0.381	S	S	*	.	H	α-helix	trans	-50.2	-36.4	-178.4	-77.8	-165.4	87.3	0	0	112.4	S130 I134 Q135 E136	S130-M132 PolarHBondContact O-N 2.97Å; M132-I134 VanDerWaalsContact C-N 3.32Å; M132-I134 PolarHBondContact O-N 3.48Å; M132-Q135 PolarHBondContact O-N 3.43Å; M132-E136 WeakPolarHBondContact O-CB 3.29Å; M132-E136 PolarHBondContact O-N 3.11Å
133	D	81.2	Confident	79.5	Confident	134 Å²	134	72.1 Å²	72.1	72%	0.717	38%	0.378	S	S	*	.	H	α-helix	trans	-59.3	-39.3	-178.8	-59	-20.5	0	0	0	113.2	T131 K137	T131-D133 PolarHBondContact O-N 3.42Å; T131-D133 VanDerWaalsContact O-N 3.09Å; D133-K137 VanDerWaalsContact O-CB 3.3Å; D133-K137 WeakPolarHBondContact O-CB 3.36Å; D133-K137 PolarHBondContact O-N 3.37Å
134	I	81.1	Confident	80	Confident	73 Å²	73	69.8 Å²	69.8	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-74.3	-39.4	-179.8	-51.7	176.7	0	0	0	110.1	L129 T131 M132 E136 T138	L129-I134 HydrophobicContact CD2-CB 3.82Å; L129-I134 HydrophobicContact CD2-CD1 4.35Å; L129-I134 HydrophobicContact CD2-CG2 3.22Å; T131-I134 PolarHBondContact O-N 3.23Å; T131-I134 VanDerWaalsContact O-N 3.07Å; T131-I134 WeakPolarHBondContact OG1-CD1 3.46Å; M132-I134 VanDerWaalsContact C-N 3.32Å; M132-I134 PolarHBondContact O-N 3.48Å; I134-E136 VanDerWaalsContact C-N 3.31Å; I134-E136 PolarHBondContact O-N 3.32Å; I134-T138 VanDerWaalsContact O-CB 3.27Å; I134-T138 WeakPolarHBondContact O-CB 3.44Å; I134-T138 PolarHBondContact O-N 3.35Å; I134-T138 PolarHBondContact O-OG1 2.84Å
135	Q	83.4	Confident	80.8	Confident	29 Å²	29	69.7 Å²	69.7	14%	0.136	37%	0.365	C	S	.	.	H	α-helix	trans	-61.4	-43.9	175.6	-64.7	-171.1	-13.2	0	0	110.7	L129 T131 M132 T138 A139	L129-Q135 WeakPolarHBondContact O-CG 3.29Å; L129-Q135 PolarHBondContact O-NE2 3.41Å; T131-Q135 PolarHBondContact O-N 2.88Å; M132-Q135 PolarHBondContact O-N 3.43Å; Q135-T138 PolarHBondContact O-N 3.01Å; Q135-A139 VanDerWaalsContact O-CB 3.3Å; Q135-A139 WeakPolarHBondContact O-CB 3.46Å; Q135-A139 PolarHBondContact O-N 2.94Å
136	E	87.6	Confident	81.5	Confident	98 Å²	98	64.6 Å²	64.6	46%	0.458	33%	0.334	S	S	.	.	H	α-helix	trans	-67.7	-44.9	-179.6	-162.6	57.6	-149.1	0	0	111.9	M132 I134 T138 A139 S140 H237	M132-E136 WeakPolarHBondContact O-CB 3.29Å; M132-E136 PolarHBondContact O-N 3.11Å; I134-E136 VanDerWaalsContact C-N 3.31Å; I134-E136 PolarHBondContact O-N 3.32Å; E136-T138 VanDerWaalsContact C-N 3.28Å; E136-T138 PolarHBondContact O-N 2.93Å; E136-A139 PolarHBondContact O-N 3.14Å; E136-S140 WeakPolarHBondContact O-CB 3.39Å; E136-S140 PolarHBondContact O-N 3.18Å; E136-H237 IonicContact OE1-CE1 3.32Å; E136-H237 IonicContact OE1-NE2 3.91Å; E136-H237 IonicContact OE2-CE1 2.81Å; E136-H237 PolarHBondContact OE2-CE1 3.28Å; E136-H237 VanDerWaalsContact OE2-CE1 3.26Å; E136-H237 IonicContact OE2-NE2 2.84Å; E136-H237 PolarHBondContact OE2-NE2 2.95Å
137	K	87	Confident	82.4	Confident	130 Å²	130	58.9 Å²	58.9	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-58.4	-43.2	174	-175.9	172.6	-177.3	172	0	111.5	D133 S140 Q141	D133-K137 VanDerWaalsContact O-CB 3.3Å; D133-K137 WeakPolarHBondContact O-CB 3.36Å; D133-K137 PolarHBondContact O-N 3.37Å; K137-S140 PolarHBondContact O-N 2.96Å; K137-Q141 WeakPolarHBondContact O-CG 3.25Å; K137-Q141 PolarHBondContact O-N 3.49Å
138	T	88.4	Confident	84.1	Confident	12 Å²	12	57.6 Å²	57.6	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-69.9	-39.3	-179.3	-54.7	0	0	0	0	112	L120 I134 Q135 E136 S140 Q141 L142 I233	L120-T138 HydrophobicContact CD1-CG2 3.59Å; I134-T138 VanDerWaalsContact O-CB 3.27Å; I134-T138 WeakPolarHBondContact O-CB 3.44Å; I134-T138 PolarHBondContact O-N 3.35Å; I134-T138 PolarHBondContact O-OG1 2.84Å; Q135-T138 PolarHBondContact O-N 3.01Å; E136-T138 VanDerWaalsContact C-N 3.28Å; E136-T138 PolarHBondContact O-N 2.93Å; T138-S140 VanDerWaalsContact C-N 3.35Å; T138-Q141 PolarHBondContact O-N 2.94Å; T138-L142 HydrophobicContact CG2-CD1 4.41Å; T138-L142 WeakPolarHBondContact O-CG 3.38Å; T138-L142 PolarHBondContact O-N 3Å; T138-I233 HydrophobicContact CG2-CG2 3.38Å
139	A	90.5	Very high	85.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-45.2	174.2	0	0	0	0	0	111	Q135 E136 Q141 L142 R143 H237 L240	Q135-A139 VanDerWaalsContact O-CB 3.3Å; Q135-A139 WeakPolarHBondContact O-CB 3.46Å; Q135-A139 PolarHBondContact O-N 2.94Å; E136-A139 PolarHBondContact O-N 3.14Å; A139-Q141 PolarHBondContact O-N 2.89Å; A139-L142 PolarHBondContact O-N 3.39Å; A139-R143 WeakPolarHBondContact O-CG 3.45Å; A139-R143 PolarHBondContact O-N 2.97Å; A139-H237 VanDerWaalsContact CB-CD2 3.43Å; A139-H237 WeakPolarHBondContact CB-CD2 3.39Å; A139-H237 WeakPolarHBondContact CB-NE2 2.97Å; A139-L240 HydrophobicContact CB-CD1 3.68Å
140	S	91.1	Very high	87.8	Confident	46 Å²	46	50.1 Å²	50.1	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-58.7	-46	174	-178.6	0	0	0	0	111.9	E136 K137 T138 L142 R143 N144	E136-S140 WeakPolarHBondContact O-CB 3.39Å; E136-S140 PolarHBondContact O-N 3.18Å; K137-S140 PolarHBondContact O-N 2.96Å; T138-S140 VanDerWaalsContact C-N 3.35Å; S140-L142 PolarHBondContact O-N 3.4Å; S140-R143 PolarHBondContact O-N 3.37Å; S140-N144 PolarHBondContact O-N 3Å
141	Q	92	Very high	89.7	Confident	24 Å²	24	51.3 Å²	51.3	11%	0.112	26%	0.256	C	S	.	.	H	α-helix	trans	-59.4	-43.7	175.2	-74.2	177	-40.5	0	0	112.6	K137 T138 A139 N144 L145 F185	K137-Q141 WeakPolarHBondContact O-CG 3.25Å; K137-Q141 PolarHBondContact O-N 3.49Å; T138-Q141 PolarHBondContact O-N 2.94Å; A139-Q141 PolarHBondContact O-N 2.89Å; Q141-N144 PolarHBondContact O-N 3.32Å; Q141-L145 VanDerWaalsContact O-CB 3.3Å; Q141-L145 WeakPolarHBondContact O-CB 3.42Å; Q141-L145 PolarHBondContact O-N 2.86Å; Q141-F185 HydrophobicContact CB-CE2 4.37Å; Q141-F185 HydrophobicContact CB-CZ 4.28Å; Q141-F185 WeakPolarHBondContact O-CE2 3.42Å
142	L	93.6	Very high	91	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-38.5	177	-77	169.5	0	0	0	112.4	W116 F117 L120 T138 A139 S140 L145 T146 L230 T234 L240 L246	W116-L142 HydrophobicContact CH2-CD2 3.95Å; W116-L142 HydrophobicContact CH2-CG 4.46Å; W116-L142 HydrophobicContact CZ3-CD2 3.86Å; F117-L142 HydrophobicContact CE1-CD2 3.71Å; F117-L142 HydrophobicContact CZ-CD2 4.12Å; L120-L142 HydrophobicContact CD2-CD1 4.38Å; L120-L142 HydrophobicContact CD2-CD2 4.04Å; L120-L142 HydrophobicContact CD2-CG 4.46Å; T138-L142 HydrophobicContact CG2-CD1 4.41Å; T138-L142 WeakPolarHBondContact O-CG 3.38Å; T138-L142 PolarHBondContact O-N 3Å; A139-L142 PolarHBondContact O-N 3.39Å; S140-L142 PolarHBondContact O-N 3.4Å; L142-L145 PolarHBondContact O-N 3.22Å; L142-T146 WeakPolarHBondContact O-CB 3.3Å; L142-T146 VanDerWaalsContact O-CG2 3.3Å; L142-T146 WeakPolarHBondContact O-CG2 3.31Å; L142-T146 PolarHBondContact O-N 3.47Å; L142-T146 PolarHBondContact O-OG1 2.86Å; L142-L230 HydrophobicContact CD1-CD1 4.06Å; L142-T234 HydrophobicContact CD1-CG2 3.53Å; L142-L240 HydrophobicContact CB-CD1 4.26Å; L142-L240 HydrophobicContact CB-CD2 4.13Å; L142-L246 HydrophobicContact CD2-CD2 4.46Å
143	R	94.5	Very high	92.1	Very high	76 Å²	76	41.5 Å²	41.5	29%	0.287	20%	0.204	S	C	.	.	H	α-helix	trans	-62.8	-43.7	174.2	-70.9	175	-169.5	-68	-6.8	111.3	A139 S140 T146 T147 H237 D239 L240	A139-R143 WeakPolarHBondContact O-CG 3.45Å; A139-R143 PolarHBondContact O-N 2.97Å; S140-R143 PolarHBondContact O-N 3.37Å; R143-T146 WeakPolarHBondContact CA-OG1 3.48Å; R143-T146 PolarHBondContact O-OG1 2.99Å; R143-T147 VanDerWaalsContact O-CB 3.29Å; R143-T147 WeakPolarHBondContact O-CB 3.49Å; R143-T147 PolarHBondContact O-N 2.83Å; R143-T147 PolarHBondContact O-OG1 3.19Å; R143-H237 PolarHBondContact NH2-ND1 3.4Å; R143-H237 VanDerWaalsContact NH2-ND1 3.18Å; R143-D239 IonicContact CZ-OD1 2.62Å; R143-D239 IonicContact CZ-OD2 2.72Å; R143-D239 IonicContact NH1-OD1 3.02Å; R143-D239 IonicContact NH1-OD2 3.44Å; R143-D239 PolarHBondContact NH1-OD2 2.97Å; R143-D239 VanDerWaalsContact NH2-CG 3.28Å; R143-D239 IonicContact NH2-OD1 2.77Å; R143-D239 PolarHBondContact NH2-OD1 3.37Å; R143-D239 IonicContact NH2-OD2 3.16Å; R143-D239 PolarHBondContact NH2-OD2 3.2Å; R143-L240 HydrophobicContact CG-CD1 4.16Å; R143-L240 HydrophobicContact CG-CD2 4.26Å
144	N	94.8	Very high	92.8	Very high	45 Å²	45	35.1 Å²	35.1	24%	0.241	17%	0.17	C	C	.	.	H	α-helix	trans	-67.5	-39.7	178.2	-68	-11.8	0	0	0	111.5	S140 Q141 T147 A148 S183 F185	S140-N144 PolarHBondContact O-N 3Å; Q141-N144 PolarHBondContact O-N 3.32Å; N144-T147 PolarHBondContact O-N 3.01Å; N144-A148 WeakPolarHBondContact O-CB 3.4Å; N144-A148 PolarHBondContact O-N 3.25Å; N144-S183 WeakPolarHBondContact CB-O 3.44Å; N144-S183 PolarHBondContact ND2-O 2.95Å; N144-F185 HydrophobicContact CB-CD2 3.98Å; N144-F185 HydrophobicContact CB-CE2 4.09Å
145	L	95.5	Very high	93.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-50.8	175.7	178.2	62	0	0	0	111.9	L113 W116 F117 Q141 L142 T147 A148 L149 V173 F185 I187	L113-L145 HydrophobicContact CD1-CD1 3.97Å; L113-L145 HydrophobicContact CD1-CD2 3.95Å; L113-L145 HydrophobicContact CD1-CG 4.38Å; W116-L145 HydrophobicContact CD2-CD2 4.27Å; W116-L145 HydrophobicContact CE3-CD2 3.67Å; W116-L145 HydrophobicContact CH2-CD2 3.84Å; W116-L145 HydrophobicContact CZ2-CD2 4.4Å; W116-L145 HydrophobicContact CZ3-CD2 3.42Å; W116-L145 VanDerWaalsContact CZ3-CD2 3.42Å; F117-L145 HydrophobicContact CE2-CD2 4.03Å; F117-L145 HydrophobicContact CZ-CD2 3.94Å; Q141-L145 VanDerWaalsContact O-CB 3.3Å; Q141-L145 WeakPolarHBondContact O-CB 3.42Å; Q141-L145 PolarHBondContact O-N 2.86Å; L142-L145 PolarHBondContact O-N 3.22Å; L145-T147 VanDerWaalsContact C-N 3.27Å; L145-T147 PolarHBondContact O-N 2.9Å; L145-A148 PolarHBondContact O-N 3.22Å; L145-L149 HydrophobicContact CD1-CD1 4.14Å; L145-L149 HydrophobicContact CD1-CG 4.27Å; L145-L149 HydrophobicContact CG-CD1 3.97Å; L145-L149 WeakPolarHBondContact O-CB 3.49Å; L145-L149 VanDerWaalsContact O-CG 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.46Å; L145-L149 PolarHBondContact O-N 3.43Å; L145-V173 HydrophobicContact CD1-CG1 4.13Å; L145-F185 HydrophobicContact CB-CD2 4.01Å; L145-F185 HydrophobicContact CB-CE2 3.93Å; L145-F185 HydrophobicContact CB-CG 4.37Å; L145-F185 HydrophobicContact CB-CZ 4.19Å; L145-F185 HydrophobicContact CD1-CD1 3.94Å; L145-F185 HydrophobicContact CD1-CE1 4.28Å; L145-F185 HydrophobicContact CD1-CG 4.09Å; L145-I187 HydrophobicContact CD1-CD1 3.74Å
146	T	95.8	Very high	94	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-37.2	178.5	50.2	0	0	0	0	111.6	L142 R143 G150 L246 L249 I250	L142-T146 WeakPolarHBondContact O-CB 3.3Å; L142-T146 VanDerWaalsContact O-CG2 3.3Å; L142-T146 WeakPolarHBondContact O-CG2 3.31Å; L142-T146 PolarHBondContact O-N 3.47Å; L142-T146 PolarHBondContact O-OG1 2.86Å; R143-T146 WeakPolarHBondContact CA-OG1 3.48Å; R143-T146 PolarHBondContact O-OG1 2.99Å; T146-G150 PolarHBondContact O-N 3.41Å; T146-L246 HydrophobicContact CG2-CB 4.26Å; T146-L246 HydrophobicContact CG2-CD2 3.88Å; T146-L249 HydrophobicContact CG2-CB 4.4Å; T146-I250 HydrophobicContact CG2-CD1 4.19Å; T146-I250 HydrophobicContact CG2-CG1 3.81Å
147	T	96.1	Very high	94.3	Very high	58 Å²	58	27.9 Å²	27.9	36%	0.356	13%	0.134	S	C	.	.	H	α-helix	trans	-62.4	-49.2	173.1	-59.6	0	0	0	0	111.3	R143 N144 L145 L149 G150 R151 S253	R143-T147 VanDerWaalsContact O-CB 3.29Å; R143-T147 WeakPolarHBondContact O-CB 3.49Å; R143-T147 PolarHBondContact O-N 2.83Å; R143-T147 PolarHBondContact O-OG1 3.19Å; N144-T147 PolarHBondContact O-N 3.01Å; L145-T147 VanDerWaalsContact C-N 3.27Å; L145-T147 PolarHBondContact O-N 2.9Å; T147-L149 PolarHBondContact O-N 3.19Å; T147-G150 PolarHBondContact O-N 2.92Å; T147-R151 PolarHBondContact O-N 3.2Å; T147-S253 PolarHBondContact O-OG 3.11Å
148	A	96.2	Very high	94.5	Very high	14 Å²	14	22.1 Å²	22.1	12%	0.116	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-39	179.5	0	0	0	0	0	112.6	N144 L145 R151 L152 F185 I187	N144-A148 WeakPolarHBondContact O-CB 3.4Å; N144-A148 PolarHBondContact O-N 3.25Å; L145-A148 PolarHBondContact O-N 3.22Å; A148-R151 PolarHBondContact O-N 3.48Å; A148-L152 PolarHBondContact O-N 2.95Å; A148-F185 HydrophobicContact CB-CB 4.11Å; A148-I187 HydrophobicContact CB-CD1 4.16Å; A148-I187 HydrophobicContact CB-CG1 3.61Å
149	L	97.5	Very high	94.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-47.3	174.3	-72.5	167.7	0	0	0	111.7	L113 L145 T147 R151 L152 L153 I171 I187 F217 I250	L113-L149 HydrophobicContact CD1-CD1 4.33Å; L113-L149 HydrophobicContact CD2-CD1 4.04Å; L113-L149 HydrophobicContact CD2-CD2 3.84Å; L145-L149 HydrophobicContact CD1-CD1 4.14Å; L145-L149 HydrophobicContact CD1-CG 4.27Å; L145-L149 HydrophobicContact CG-CD1 3.97Å; L145-L149 WeakPolarHBondContact O-CB 3.49Å; L145-L149 VanDerWaalsContact O-CG 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.46Å; L145-L149 PolarHBondContact O-N 3.43Å; T147-L149 PolarHBondContact O-N 3.19Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 3.39Å; L149-L152 PolarHBondContact O-N 2.94Å; L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 3.35Å; L149-I171 HydrophobicContact CD2-CD1 4.15Å; L149-I171 HydrophobicContact CD2-CG2 4.16Å; L149-I187 HydrophobicContact CD2-CG2 3.93Å; L149-F217 HydrophobicContact CD1-CZ 4.4Å; L149-F217 HydrophobicContact CD2-CZ 4.39Å; L149-I250 HydrophobicContact CB-CD1 4.3Å; L149-I250 HydrophobicContact CB-CG1 4.24Å; L149-I250 HydrophobicContact CB-CG2 4.37Å; L149-I250 HydrophobicContact CD1-CD1 3.91Å
150	G	97.1	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.7	-41.7	176.7	0	0	0	0	0	112	T146 T147 L153 A154 I250 Y254	T146-G150 PolarHBondContact O-N 3.41Å; T147-G150 PolarHBondContact O-N 2.92Å; G150-L153 PolarHBondContact O-N 3.22Å; G150-A154 VanDerWaalsContact O-CB 3.29Å; G150-A154 WeakPolarHBondContact O-CB 3.44Å; G150-A154 PolarHBondContact O-N 3.4Å; G150-I250 WeakPolarHBondContact CA-O 3.3Å; G150-Y254 WeakPolarHBondContact O-CA 3.34Å
151	R	96.4	Very high	94.8	Very high	119 Å²	119	24.3 Å²	24.3	45%	0.449	12%	0.115	S	C	.	.	H	α-helix	trans	-60.8	-50.4	174.1	-173.2	-177	-64.1	147.7	1	111.7	T147 A148 L149 L153 A154 Q155 N257	T147-R151 PolarHBondContact O-N 3.2Å; A148-R151 PolarHBondContact O-N 3.48Å; L149-R151 VanDerWaalsContact C-N 3.28Å; L149-R151 PolarHBondContact O-N 3.39Å; R151-L153 PolarHBondContact O-N 2.92Å; R151-A154 WeakPolarHBondContact O-CB 3.3Å; R151-A154 PolarHBondContact O-N 3.42Å; R151-Q155 HydrophobicContact CG-CG 4.41Å; R151-Q155 VanDerWaalsContact O-CG 3.29Å; R151-Q155 WeakPolarHBondContact O-CG 3.46Å; R151-Q155 PolarHBondContact O-N 3.48Å; R151-N257 HydrophobicContact CB-CB 4.34Å; R151-N257 HydrophobicContact CG-CB 4.24Å; R151-N257 PolarHBondContact NE-OD1 2.88Å
152	L	96.6	Very high	94.9	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-56.9	-48.9	179.3	172.4	63.7	0	0	0	111.8	I86 A148 L149 A154 Q155 L156 I187 P189	I86-L152 HydrophobicContact CG2-CD1 3.81Å; A148-L152 PolarHBondContact O-N 2.95Å; L149-L152 PolarHBondContact O-N 2.94Å; L152-A154 VanDerWaalsContact C-N 3.27Å; L152-A154 PolarHBondContact O-N 2.9Å; L152-Q155 PolarHBondContact O-N 3.25Å; L152-Q155 VanDerWaalsContact O-N 3.14Å; L152-L156 HydrophobicContact CD1-CD1 4.3Å; L152-L156 HydrophobicContact CD1-CG 4.31Å; L152-L156 HydrophobicContact CG-CD1 4.2Å; L152-L156 PolarHBondContact O-N 2.8Å; L152-I187 HydrophobicContact CD2-CB 4.17Å; L152-I187 HydrophobicContact CD2-CG2 3.42Å; L152-I187 VanDerWaalsContact CD2-CG2 3.42Å; L152-P189 HydrophobicContact CD1-CG 3.98Å; L152-P189 HydrophobicContact CD2-CB 4.29Å; L152-P189 HydrophobicContact CD2-CG 4.24Å
153	L	97	Very high	95	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-39.6	179.9	-66.4	177.1	0	0	0	111.1	L149 G150 R151 Q155 L156 H157 L166 L214 F217 I250 Y254	L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 3.35Å; G150-L153 PolarHBondContact O-N 3.22Å; R151-L153 PolarHBondContact O-N 2.92Å; L153-Q155 VanDerWaalsContact C-N 3.35Å; L153-L156 PolarHBondContact O-N 3.42Å; L153-H157 WeakPolarHBondContact O-CB 3.48Å; L153-H157 PolarHBondContact O-N 2.8Å; L153-L166 HydrophobicContact CD2-CD1 3.56Å; L153-L166 HydrophobicContact CD2-CD2 4.26Å; L153-L214 HydrophobicContact CB-CD2 4.48Å; L153-L214 HydrophobicContact CD1-CD2 4.01Å; L153-F217 HydrophobicContact CD1-CD1 3.91Å; L153-F217 HydrophobicContact CD1-CE1 4.02Å; L153-I250 HydrophobicContact CD1-CG2 3.85Å; L153-Y254 VanDerWaalsContact C-CE2 3.49Å; L153-Y254 HydrophobicContact CB-CD2 3.68Å; L153-Y254 HydrophobicContact CB-CE2 4.09Å; L153-Y254 WeakPolarHBondContact O-CE2 2.94Å
154	A	96.1	Very high	94.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-42.2	175.2	0	0	0	0	0	111.4	G150 R151 L152 H157 S158 Y254 N257 Y258	G150-A154 VanDerWaalsContact O-CB 3.29Å; G150-A154 WeakPolarHBondContact O-CB 3.44Å; G150-A154 PolarHBondContact O-N 3.4Å; R151-A154 WeakPolarHBondContact O-CB 3.3Å; R151-A154 PolarHBondContact O-N 3.42Å; L152-A154 VanDerWaalsContact C-N 3.27Å; L152-A154 PolarHBondContact O-N 2.9Å; A154-H157 PolarHBondContact O-N 3.35Å; A154-S158 WeakPolarHBondContact O-CB 3.33Å; A154-S158 PolarHBondContact O-N 3.4Å; A154-S158 PolarHBondContact O-OG 2.97Å; A154-Y254 HydrophobicContact CB-CD2 3.89Å; A154-Y254 HydrophobicContact CB-CE2 4.29Å; A154-Y254 HydrophobicContact CB-CG 4.46Å; A154-Y254 WeakPolarHBondContact CB-O 3.19Å; A154-Y254 VanDerWaalsContact N-CD2 3.29Å; A154-N257 HydrophobicContact CB-CB 4Å; A154-Y258 HydrophobicContact CB-CD2 4.4Å
155	Q	94.5	Very high	94.8	Very high	48 Å²	48	21.9 Å²	21.9	22%	0.224	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-44.4	177.1	-66.1	-179.1	-60.3	0	0	112.2	I86 R151 L152 L153 S158 N159 T261	I86-Q155 HydrophobicContact CD1-CB 3.9Å; I86-Q155 HydrophobicContact CG1-CB 3.84Å; R151-Q155 HydrophobicContact CG-CG 4.41Å; R151-Q155 VanDerWaalsContact O-CG 3.29Å; R151-Q155 WeakPolarHBondContact O-CG 3.46Å; R151-Q155 PolarHBondContact O-N 3.48Å; L152-Q155 PolarHBondContact O-N 3.25Å; L152-Q155 VanDerWaalsContact O-N 3.14Å; L153-Q155 VanDerWaalsContact C-N 3.35Å; Q155-S158 PolarHBondContact O-OG 3.43Å; Q155-N159 WeakPolarHBondContact O-CB 3.3Å; Q155-N159 PolarHBondContact O-N 3.26Å; Q155-N159 PolarHBondContact O-ND2 3.31Å; Q155-T261 HydrophobicContact CB-CG2 4.14Å; Q155-T261 HydrophobicContact CG-CG2 3.61Å
156	L	94.6	Very high	94.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.1	-53.7	175.7	-72.3	169.2	0	0	0	110.9	I86 L152 L153 N159 H160 I161 F192	I86-L156 HydrophobicContact CD1-CD2 3.84Å; I86-L156 HydrophobicContact CD1-CG 4.22Å; L152-L156 HydrophobicContact CD1-CD1 4.3Å; L152-L156 HydrophobicContact CD1-CG 4.31Å; L152-L156 HydrophobicContact CG-CD1 4.2Å; L152-L156 PolarHBondContact O-N 2.8Å; L153-L156 PolarHBondContact O-N 3.42Å; L156-N159 CarbonylContact O-C 3.54Å; L156-N159 PolarHBondContact O-N 3.26Å; L156-H160 PolarHBondContact O-N 3.45Å; L156-I161 CarbonylContact C-O 3.6Å; L156-I161 HydrophobicContact CB-CB 4.46Å; L156-I161 HydrophobicContact CD2-CB 4.05Å; L156-I161 HydrophobicContact CD2-CD1 4.49Å; L156-I161 HydrophobicContact CD2-CG2 3.71Å; L156-I161 WeakPolarHBondContact O-CB 3.27Å; L156-I161 PolarHBondContact O-N 3.24Å; L156-F192 HydrophobicContact CD2-CE1 4.25Å; L156-F192 HydrophobicContact CD2-CZ 4.32Å
157	H	94.4	Very high	94.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-74	-36.4	-172.3	-69.6	178.8	0	0	0	113.4	L153 A154 N159 H160 K210 D213 Y254 Y258	L153-H157 WeakPolarHBondContact O-CB 3.48Å; L153-H157 PolarHBondContact O-N 2.8Å; A154-H157 PolarHBondContact O-N 3.35Å; H157-N159 PolarHBondContact O-N 3.2Å; H157-H160 PolarHBondContact O-N 2.8Å; H157-K210 HydrophobicContact CB-CD 4.02Å; H157-K210 HydrophobicContact CB-CG 4.14Å; H157-K210 PolarHBondContact CE1-O 3.31Å; H157-K210 WeakPolarHBondContact O-CE 3.31Å; H157-K210 PolarHBondContact O-NZ 3.13Å; H157-D213 IonicContact NE2-OD2 3.74Å; H157-Y254 HydrophobicContact CB-CE2 4.07Å; H157-Y254 VanDerWaalsContact CB-OH 3.24Å; H157-Y254 WeakPolarHBondContact CB-OH 3.26Å; H157-Y254 AromaticContact ND1-CE2 3.63Å; H157-Y254 AromaticContact ND1-CZ 3.73Å; H157-Y254 PolarHBondContact ND1-OH 3.22Å; H157-Y254 VanDerWaalsContact ND1-OH 3.1Å; H157-Y258 HydrophobicContact CB-CE2 3.86Å; H157-Y258 PolarHBondContact O-OH 3.29Å
158	S	92.4	Very high	94.6	Very high	8 Å²	8	20.5 Å²	20.5	6%	0.056	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-29.9	173.5	58.5	0	0	0	0	111.9	A154 Q155 H160	A154-S158 WeakPolarHBondContact O-CB 3.33Å; A154-S158 PolarHBondContact O-N 3.4Å; A154-S158 PolarHBondContact O-OG 2.97Å; Q155-S158 PolarHBondContact O-OG 3.43Å; S158-H160 VanDerWaalsContact C-N 3.34Å
159	N	91.1	Very high	94.5	Very high	17 Å²	17	22.4 Å²	22.4	9%	0.091	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	10.8	174.2	-73	-73.9	0	0	0	114.4	V84 Q155 L156 H157 I161 M262	V84-N159 HydrophobicContact CG1-CB 4.35Å; V84-N159 WeakPolarHBondContact CG1-OD1 3.29Å; V84-N159 HydrophobicContact CG2-CB 4.19Å; Q155-N159 WeakPolarHBondContact O-CB 3.3Å; Q155-N159 PolarHBondContact O-N 3.26Å; Q155-N159 PolarHBondContact O-ND2 3.31Å; L156-N159 CarbonylContact O-C 3.54Å; L156-N159 PolarHBondContact O-N 3.26Å; H157-N159 PolarHBondContact O-N 3.2Å; N159-I161 HydrophobicContact CB-CD1 4.09Å; N159-I161 HydrophobicContact CB-CG1 4.19Å; N159-I161 PolarHBondContact O-N 3.44Å; N159-M262 WeakPolarHBondContact OD1-CE 3.4Å
160	H	91.6	Very high	94.4	Very high	85 Å²	85	23 Å²	23	39%	0.394	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	31.8	179.9	-51.3	-31.5	0	0	0	114	L156 H157 S158 L206 K210 E287	L156-H160 PolarHBondContact O-N 3.45Å; H157-H160 PolarHBondContact O-N 2.8Å; S158-H160 VanDerWaalsContact C-N 3.34Å; H160-L206 HydrophobicContact CB-CD1 4.43Å; H160-K210 PolarHBondContact ND1-NZ 3.21Å; H160-E287 IonicContact CE1-OE1 2.76Å
161	I	92.8	Very high	94.4	Very high	3 Å²	3	23 Å²	23	2%	0.015	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.6	174.8	-56.8	172.7	0	0	0	107.4	R80 V84 I86 L156 N159 F192	R80-I161 HydrophobicContact CG-CD1 4.02Å; R80-I161 HydrophobicContact CG-CG1 4.28Å; V84-I161 HydrophobicContact CG2-CD1 4.03Å; I86-I161 HydrophobicContact CD1-CD1 4.09Å; L156-I161 CarbonylContact C-O 3.6Å; L156-I161 HydrophobicContact CB-CB 4.46Å; L156-I161 HydrophobicContact CD2-CB 4.05Å; L156-I161 HydrophobicContact CD2-CD1 4.49Å; L156-I161 HydrophobicContact CD2-CG2 3.71Å; L156-I161 WeakPolarHBondContact O-CB 3.27Å; L156-I161 PolarHBondContact O-N 3.24Å; N159-I161 HydrophobicContact CB-CD1 4.09Å; N159-I161 HydrophobicContact CB-CG1 4.19Å; N159-I161 PolarHBondContact O-N 3.44Å; I161-F192 HydrophobicContact CG2-CE1 4.1Å
162	I	94.4	Very high	94.4	Very high	7 Å²	7	19 Å²	19	4%	0.036	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.1	172.5	-48.9	-57.3	0	0	0	107.5	S195 S196 S198 D209 K210 D213	I162-S195 WeakPolarHBondContact O-CA 3.42Å; I162-S195 VanDerWaalsContact O-CB 3.3Å; I162-S195 WeakPolarHBondContact O-CB 3.18Å; I162-S196 PolarHBondContact O-N 2.84Å; I162-S198 WeakPolarHBondContact CG1-OG 3.4Å; I162-D209 HydrophobicContact CD1-CB 4.4Å; I162-D209 HydrophobicContact CG1-CB 4.21Å; I162-K210 HydrophobicContact CD1-CB 4.24Å; I162-K210 HydrophobicContact CD1-CG 3.37Å; I162-D213 HydrophobicContact CG2-CB 4.14Å
163	H	95.1	Very high	94.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.			trans	-73.3	-41.4	-179.3	-176.7	-59.6	0	0	0	110.8	D165 L166 V190 D191 F192 L194 S195 D213	H163-D165 VanDerWaalsContact C-N 3.25Å; H163-D165 PolarHBondContact CE1-O 3.35Å; H163-D165 PolarHBondContact ND1-N 3.47Å; H163-D165 PolarHBondContact ND1-O 2.97Å; H163-D165 PolarHBondContact O-N 3.21Å; H163-L166 HydrophobicContact CB-CD1 4.49Å; H163-L166 HydrophobicContact CB-CD2 3.63Å; H163-L166 HydrophobicContact CB-CG 3.72Å; H163-V190 PolarHBondContact NE2-O 3.28Å; H163-D191 PolarHBondContact CE1-O 3.4Å; H163-F192 HydrophobicContact CB-CE1 4.38Å; H163-F192 AromaticContact CD2-CE1 3.75Å; H163-L194 CarbonylContact O-C 3.56Å; H163-S195 WeakPolarHBondContact O-CA 3.32Å; H163-S195 PolarHBondContact O-N 2.93Å; H163-D213 WeakPolarHBondContact CB-OD2 3.16Å; H163-D213 PolarHBondContact N-OD2 3.27Å
164	G	92.5	Very high	94.2	Very high	36 Å²	36	20 Å²	20	37%	0.371	12%	0.116	S	C	.	.	S	Bend	trans	79.5	1.1	175.4	0	0	0	0	0	115	D213	G164-D213 WeakPolarHBondContact CA-OD1 3.35Å; G164-D213 PolarHBondContact N-OD1 2.88Å; G164-D213 PolarHBondContact N-OD2 3.33Å
165	D	93.3	Very high	93.9	Very high	51 Å²	51	23 Å²	23	27%	0.273	13%	0.13	S	C	.	.			trans	-158.3	47.4	178.1	-165.9	29.4	0	0	0	110.8	H163 T167 N170 L194	H163-D165 VanDerWaalsContact C-N 3.25Å; H163-D165 PolarHBondContact CE1-O 3.35Å; H163-D165 PolarHBondContact ND1-N 3.47Å; H163-D165 PolarHBondContact ND1-O 2.97Å; H163-D165 PolarHBondContact O-N 3.21Å; D165-T167 VanDerWaalsContact C-N 3.29Å; D165-T167 PolarHBondContact O-N 3.17Å; D165-N170 PolarHBondContact O-ND2 3.29Å; D165-N170 PolarHBondContact OD2-ND2 3.41Å; D165-L194 HydrophobicContact CB-CB 4.45Å; D165-L194 HydrophobicContact CB-CD1 4.05Å
166	L	94.1	Very high	93.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.			trans	-68.3	85.6	179.5	-73.6	174.1	0	0	0	111.5	L153 H163 D213 F217	L153-L166 HydrophobicContact CD2-CD1 3.56Å; L153-L166 HydrophobicContact CD2-CD2 4.26Å; H163-L166 HydrophobicContact CB-CD1 4.49Å; H163-L166 HydrophobicContact CB-CD2 3.63Å; H163-L166 HydrophobicContact CB-CG 3.72Å; L166-D213 HydrophobicContact CD1-CB 4.02Å; L166-D213 WeakPolarHBondContact CD1-OD2 3.17Å; L166-D213 WeakPolarHBondContact CG-OD1 3.39Å; L166-F217 HydrophobicContact CB-CB 3.89Å; L166-F217 HydrophobicContact CB-CD2 4.27Å; L166-F217 HydrophobicContact CB-CG 4.46Å; L166-F217 WeakPolarHBondContact O-CA 3.29Å; L166-F217 PolarHBondContact O-N 2.95Å
167	T	93.9	Very high	92.6	Very high	30 Å²	30	30.2 Å²	30.2	18%	0.184	17%	0.17	C	C	.	.			trans	-108.4	162	173.6	66.7	0	0	0	0	111.1	D165 S169 N170	D165-T167 VanDerWaalsContact C-N 3.29Å; D165-T167 PolarHBondContact O-N 3.17Å; T167-S169 PolarHBondContact O-N 3Å; T167-S169 PolarHBondContact OG1-OG 2.95Å; T167-N170 PolarHBondContact O-N 2.8Å; T167-N170 VanDerWaalsContact OG1-CG 3.25Å; T167-N170 PolarHBondContact OG1-N 3.28Å; T167-N170 PolarHBondContact OG1-ND2 3.43Å; T167-N170 VanDerWaalsContact OG1-ND2 3.15Å
168	M	95.1	Very high	91.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.1	177.3	-57.8	-71.5	-82.3	0	0	112.9	L113 Q114 F117 F217 A220 L221 L225	L113-M168 WeakPolarHBondContact CB-O 3.43Å; L113-M168 HydrophobicContact CD1-CE 4.47Å; L113-M168 HydrophobicContact CD2-CE 3.71Å; L113-M168 HydrophobicContact CD2-SD 3.36Å; L113-M168 WeakPolarHBondContact CD2-SD 3.14Å; L113-M168 HydrophobicContact CG-CE 3.55Å; L113-M168 HydrophobicContact CG-SD 3.84Å; L113-M168 PolarHBondContact N-O 3.08Å; Q114-M168 HydrophobicContact CB-CB 3.78Å; Q114-M168 HydrophobicContact CG-CB 4.32Å; Q114-M168 PolarHBondContact N-O 3.45Å; F117-M168 HydrophobicContact CD2-CE 3.26Å; F117-M168 HydrophobicContact CE2-CE 3.44Å; F117-M168 VanDerWaalsContact CE2-CE 3.44Å; F117-M168 HydrophobicContact CG-CE 4.29Å; M168-F217 HydrophobicContact SD-CE2 3.92Å; M168-F217 HydrophobicContact SD-CZ 4.35Å; M168-A220 HydrophobicContact CG-CB 4.09Å; M168-L221 HydrophobicContact CE-CD2 3.46Å; M168-L221 VanDerWaalsContact CE-CD2 3.46Å; M168-L221 HydrophobicContact CE-CG 4.45Å; M168-L221 HydrophobicContact SD-CD2 3.44Å; M168-L221 WeakPolarHBondContact SD-CD2 3.4Å; M168-L221 HydrophobicContact SD-CG 3.84Å; M168-L225 HydrophobicContact CE-CD2 4.45Å
169	S	93.6	Very high	89.4	Confident	54 Å²	54	40.1 Å²	40.1	38%	0.378	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-21.3	174.6	44.7	0	0	0	0	113.2	T167 I171	T167-S169 PolarHBondContact O-N 3Å; T167-S169 PolarHBondContact OG1-OG 2.95Å; S169-I171 VanDerWaalsContact C-N 3.32Å
170	N	94.8	Very high	87.7	Confident	15 Å²	15	46 Å²	46	8%	0.08	26%	0.262	C	S	.	.	S	Bend	trans	-93.9	9.9	-179	-68	-11.1	0	0	0	112.6	D165 T167 V190	D165-N170 PolarHBondContact O-ND2 3.29Å; D165-N170 PolarHBondContact OD2-ND2 3.41Å; T167-N170 PolarHBondContact O-N 2.8Å; T167-N170 VanDerWaalsContact OG1-CG 3.25Å; T167-N170 PolarHBondContact OG1-N 3.28Å; T167-N170 PolarHBondContact OG1-ND2 3.43Å; T167-N170 VanDerWaalsContact OG1-ND2 3.15Å; N170-V190 WeakPolarHBondContact CB-O 3.35Å; N170-V190 WeakPolarHBondContact O-CG2 3.22Å; N170-V190 PolarHBondContact O-N 3.4Å
171	I	97.2	Very high	86	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.4	173.4	-62	178.4	0	0	0	107.7	T112 L113 L149 S169 V173 I187 F217	T112-I171 CarbonylContact C-O 3.52Å; T112-I171 WeakPolarHBondContact CA-O 3.35Å; L113-I171 HydrophobicContact CB-CB 4.12Å; L113-I171 HydrophobicContact CB-CG2 4.23Å; L113-I171 HydrophobicContact CD2-CB 4.33Å; L113-I171 HydrophobicContact CD2-CD1 4.28Å; L113-I171 HydrophobicContact CD2-CG2 4.31Å; L113-I171 PolarHBondContact N-O 3.22Å; L149-I171 HydrophobicContact CD2-CD1 4.15Å; L149-I171 HydrophobicContact CD2-CG2 4.16Å; S169-I171 VanDerWaalsContact C-N 3.32Å; I171-V173 HydrophobicContact CG2-CG1 4.31Å; I171-I187 HydrophobicContact CG2-CG2 3.33Å; I171-F217 HydrophobicContact CD1-CD2 4.23Å; I171-F217 HydrophobicContact CD1-CE2 3.64Å; I171-F217 HydrophobicContact CD1-CZ 4.32Å
172	L	96.7	Very high	84.6	Confident	35 Å²	35	57.2 Å²	57.2	18%	0.183	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.6	170.6	-62.3	178.7	0	0	0	109.7	V106 V111 T112 I187 V188 V190	V106-L172 HydrophobicContact CB-CD1 3.85Å; V106-L172 HydrophobicContact CG1-CD1 4.34Å; V106-L172 HydrophobicContact CG2-CD1 3.68Å; V111-L172 CarbonylContact O-C 3.49Å; V111-L172 WeakPolarHBondContact O-CA 3.19Å; T112-L172 HydrophobicContact CG2-CD2 3.99Å; L172-I187 WeakPolarHBondContact O-CA 3.26Å; L172-V188 HydrophobicContact CB-CB 4.32Å; L172-V188 PolarHBondContact N-O 2.91Å; L172-V188 PolarHBondContact O-N 3.18Å; L172-V190 HydrophobicContact CD1-CG1 3.74Å; L172-V190 HydrophobicContact CG-CG1 4Å; L172-V190 HydrophobicContact CG-CG2 4.34Å
173	V	96.3	Very high	83.5	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.3	176.7	-59.2	0	0	0	0	110	A110 V111 L113 W116 L145 I171 R186 I187	A110-V173 WeakPolarHBondContact CA-O 2.91Å; V111-V173 HydrophobicContact CG2-CG2 3.92Å; V111-V173 PolarHBondContact N-O 3.17Å; V111-V173 PolarHBondContact O-N 3.41Å; L113-V173 HydrophobicContact CB-CG1 4.05Å; L113-V173 HydrophobicContact CD1-CG1 3.7Å; L113-V173 HydrophobicContact CG-CG1 4.45Å; W116-V173 HydrophobicContact CB-CG2 3.58Å; W116-V173 HydrophobicContact CG-CG2 3.8Å; L145-V173 HydrophobicContact CD1-CG1 4.13Å; I171-V173 HydrophobicContact CG2-CG1 4.31Å; V173-R186 WeakPolarHBondContact CA-O 3.46Å; V173-I187 HydrophobicContact CB-CD1 4.22Å; V173-I187 HydrophobicContact CG1-CD1 3.57Å
174	Q	93.9	Very high	83.2	Confident	26 Å²	26	59.3 Å²	59.3	12%	0.121	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	113.4	172.7	-173.4	-178.2	29.9	0	0	107.4	P108 A110 R186	P108-Q174 PolarHBondContact O-NE2 2.95Å; A110-Q174 HydrophobicContact CB-CB 4.21Å; Q174-R186 HydrophobicContact CB-CB 4.25Å; Q174-R186 PolarHBondContact N-O 3.25Å; Q174-R186 PolarHBondContact O-N 2.76Å; Q174-R186 VanDerWaalsContact OE1-CD 3.25Å
175	Q	90.1	Very high	83.2	Confident	65 Å²	65	58.6 Å²	58.6	30%	0.304	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.9	173.8	-171.9	-179.4	-33.4	0	0	108.4	D177 S183 F185	Q175-D177 PolarHBondContact NE2-OD1 2.95Å; Q175-S183 PolarHBondContact NE2-OG 3.18Å; Q175-F185 HydrophobicContact CB-CD1 4.36Å; Q175-F185 HydrophobicContact CB-CE1 4.03Å; Q175-F185 HydrophobicContact CG-CE1 4.14Å; Q175-F185 HydrophobicContact CG-CZ 4.27Å
176	L	86.2	Confident	83.3	Confident	69 Å²	69	60 Å²	60	36%	0.361	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.1	173.7	-64.7	123.2	0	0	0	108	N178 S184 R186	L176-N178 PolarHBondContact O-N 3.43Å; L176-N178 VanDerWaalsContact O-N 3.13Å; L176-S184 PolarHBondContact N-O 3.27Å; L176-S184 PolarHBondContact O-N 3.29Å; L176-S184 VanDerWaalsContact O-N 3.16Å; L176-R186 HydrophobicContact CD1-CB 3.65Å
177	D	75.5	Confident	83.4	Confident	130 Å²	130	60.9 Å²	60.9	70%	0.695	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	97.9	171.3	-63.5	-30.1	0	0	0	107.6	Q175	Q175-D177 PolarHBondContact NE2-OD1 2.95Å
178	N	64.9	Low	83.5	Confident	83 Å²	83	59.5 Å²	59.5	44%	0.444	31%	0.314	S	S	.	.			trans	-79	149.9	173	-71.8	-21.1	0	0	0	109.6	L176 N180 E181 S184	L176-N178 PolarHBondContact O-N 3.43Å; L176-N178 VanDerWaalsContact O-N 3.13Å; N178-N180 PolarHBondContact O-N 2.87Å; N178-E181 PolarHBondContact O-N 3.47Å; N178-S184 PolarHBondContact ND2-OG 3.49Å
179	C	54.5	Low	83.6	Confident	133 Å²	133	59.4 Å²	59.4	90%	0.899	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-11.9	177	-54.4	0	0	0	0	113.9
180	N	56	Low	83.7	Confident	139 Å²	139	58.1 Å²	58.1	74%	0.743	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	22.5	-175.4	-62.3	-4.4	0	0	0	113.7	N178 E182	N178-N180 PolarHBondContact O-N 2.87Å; N180-E182 PolarHBondContact O-N 2.97Å
181	E	56	Low	83.6	Confident	187 Å²	187	59.5 Å²	59.5	87%	0.874	31%	0.311	S	S	*	.	S	Bend	trans	63.3	-20.6	-178.7	-56.9	-169.5	160.6	0	0	116.7	N178 S183	N178-E181 PolarHBondContact O-N 3.47Å; E181-S183 PolarHBondContact O-N 3.04Å
182	E	62.7	Low	83.4	Confident	138 Å²	138	59.5 Å²	59.5	65%	0.645	31%	0.311	S	S	*	.			trans	-76.7	106.4	174.2	-74.4	-174.2	171.3	0	0	111.3	N180 S184	N180-E182 PolarHBondContact O-N 2.97Å; E182-S184 PolarHBondContact O-N 3.26Å
183	S	71.5	Confident	82.8	Confident	10 Å²	10	58 Å²	58	7%	0.07	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	115.1	172.5	-58.1	0	0	0	0	109.6	N144 Q175 E181	N144-S183 WeakPolarHBondContact CB-O 3.44Å; N144-S183 PolarHBondContact ND2-O 2.95Å; Q175-S183 PolarHBondContact NE2-OG 3.18Å; E181-S183 PolarHBondContact O-N 3.04Å
184	S	88.4	Confident	82.3	Confident	41 Å²	41	61.8 Å²	61.8	29%	0.287	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	155	173.7	67.3	0	0	0	0	110.4	L176 N178 E182	L176-S184 PolarHBondContact N-O 3.27Å; L176-S184 PolarHBondContact O-N 3.29Å; L176-S184 VanDerWaalsContact O-N 3.16Å; N178-S184 PolarHBondContact ND2-OG 3.49Å; E182-S184 PolarHBondContact O-N 3.26Å
185	F	93.1	Very high	81.8	Confident	20 Å²	20	61 Å²	61	9%	0.088	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.2	-179.2	-71.5	-91.1	0	0	0	110.7	W116 Q141 N144 L145 A148 Q175 I187	W116-F185 AromaticContact CE2-CE1 3.96Å; W116-F185 HydrophobicContact CZ2-CE1 4.08Å; W116-F185 AromaticContact CZ2-CZ 3.86Å; W116-F185 HydrophobicContact CZ2-CZ 3.86Å; W116-F185 AromaticContact NE1-CE1 3.75Å; Q141-F185 HydrophobicContact CB-CE2 4.37Å; Q141-F185 HydrophobicContact CB-CZ 4.28Å; Q141-F185 WeakPolarHBondContact O-CE2 3.42Å; N144-F185 HydrophobicContact CB-CD2 3.98Å; N144-F185 HydrophobicContact CB-CE2 4.09Å; L145-F185 HydrophobicContact CB-CD2 4.01Å; L145-F185 HydrophobicContact CB-CE2 3.93Å; L145-F185 HydrophobicContact CB-CG 4.37Å; L145-F185 HydrophobicContact CB-CZ 4.19Å; L145-F185 HydrophobicContact CD1-CD1 3.94Å; L145-F185 HydrophobicContact CD1-CE1 4.28Å; L145-F185 HydrophobicContact CD1-CG 4.09Å; A148-F185 HydrophobicContact CB-CB 4.11Å; Q175-F185 HydrophobicContact CB-CD1 4.36Å; Q175-F185 HydrophobicContact CB-CE1 4.03Å; Q175-F185 HydrophobicContact CG-CE1 4.14Å; Q175-F185 HydrophobicContact CG-CZ 4.27Å; F185-I187 HydrophobicContact CB-CD1 3.7Å; F185-I187 HydrophobicContact CB-CG1 4.38Å
186	R	94.6	Very high	81.1	Confident	82 Å²	82	60.5 Å²	60.5	31%	0.309	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	120.5	162.6	177.4	-171.7	-173	-159	-2.7	107.7	D87 V173 Q174 L176 V188	D87-R186 VanDerWaalsContact CG-NH2 3.34Å; D87-R186 IonicContact OD1-NH2 2.64Å; D87-R186 PolarHBondContact OD1-NH2 2.69Å; D87-R186 IonicContact OD2-CZ 2.83Å; D87-R186 IonicContact OD2-NE 2.74Å; D87-R186 PolarHBondContact OD2-NE 3.45Å; D87-R186 IonicContact OD2-NH2 3.19Å; D87-R186 PolarHBondContact OD2-NH2 3.17Å; V173-R186 WeakPolarHBondContact CA-O 3.46Å; Q174-R186 HydrophobicContact CB-CB 4.25Å; Q174-R186 PolarHBondContact N-O 3.25Å; Q174-R186 PolarHBondContact O-N 2.76Å; Q174-R186 VanDerWaalsContact OE1-CD 3.25Å; L176-R186 HydrophobicContact CD1-CB 3.65Å; R186-V188 HydrophobicContact CG-CG2 4.08Å
187	I	96.1	Very high	80.2	Confident	17 Å²	17	59.7 Å²	59.7	9%	0.087	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.7	-178	-47.1	-62.2	0	0	0	108.1	L145 A148 L149 L152 I171 L172 V173 F185	L145-I187 HydrophobicContact CD1-CD1 3.74Å; A148-I187 HydrophobicContact CB-CD1 4.16Å; A148-I187 HydrophobicContact CB-CG1 3.61Å; L149-I187 HydrophobicContact CD2-CG2 3.93Å; L152-I187 HydrophobicContact CD2-CB 4.17Å; L152-I187 HydrophobicContact CD2-CG2 3.42Å; L152-I187 VanDerWaalsContact CD2-CG2 3.42Å; I171-I187 HydrophobicContact CG2-CG2 3.33Å; L172-I187 WeakPolarHBondContact O-CA 3.26Å; V173-I187 HydrophobicContact CB-CD1 4.22Å; V173-I187 HydrophobicContact CG1-CD1 3.57Å; F185-I187 HydrophobicContact CB-CD1 3.7Å; F185-I187 HydrophobicContact CB-CG1 4.38Å
188	V	97.3	Very high	79.8	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	110.9	-174.8	177.3	0	0	0	0	109.5	D87 P89 V106 L172 R186 V190	D87-V188 HydrophobicContact CB-CG2 4.43Å; D87-V188 WeakPolarHBondContact OD2-CG2 3.43Å; P89-V188 HydrophobicContact CG-CG1 4.35Å; V106-V188 HydrophobicContact CG1-CB 3.81Å; V106-V188 HydrophobicContact CG1-CG1 3.99Å; V106-V188 HydrophobicContact CG1-CG2 3.58Å; V106-V188 HydrophobicContact CG2-CG1 3.89Å; L172-V188 HydrophobicContact CB-CB 4.32Å; L172-V188 PolarHBondContact N-O 2.91Å; L172-V188 PolarHBondContact O-N 3.18Å; R186-V188 HydrophobicContact CG-CG2 4.08Å; V188-V190 HydrophobicContact CG1-CG1 4.39Å
189	P	97.1	Very high	79.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.9	173.8	31.6	-34.6	0	0	0	110.7	I86 D87 V88 L152 F192	I86-P189 HydrophobicContact CG2-CG 4.23Å; D87-P189 WeakPolarHBondContact O-CD 3.36Å; V88-P189 HydrophobicContact CG1-CG 4.01Å; L152-P189 HydrophobicContact CD1-CG 3.98Å; L152-P189 HydrophobicContact CD2-CB 4.29Å; L152-P189 HydrophobicContact CD2-CG 4.24Å; P189-F192 HydrophobicContact CB-CE2 4.13Å; P189-F192 HydrophobicContact CB-CZ 3.81Å; P189-F192 HydrophobicContact CG-CE2 4.16Å; P189-F192 HydrophobicContact CG-CZ 3.78Å
190	V	95.2	Very high	79.7	Confident	27 Å²	27	52.7 Å²	52.7	16%	0.164	31%	0.308	C	S	.	.			trans	-137.8	163.3	179	-59.2	0	0	0	0	110.4	P89 H163 N170 L172 V188	P89-V190 HydrophobicContact CG-CG1 3.72Å; H163-V190 PolarHBondContact NE2-O 3.28Å; N170-V190 WeakPolarHBondContact CB-O 3.35Å; N170-V190 WeakPolarHBondContact O-CG2 3.22Å; N170-V190 PolarHBondContact O-N 3.4Å; L172-V190 HydrophobicContact CD1-CG1 3.74Å; L172-V190 HydrophobicContact CG-CG1 4Å; L172-V190 HydrophobicContact CG-CG2 4.34Å; V188-V190 HydrophobicContact CG1-CG1 4.39Å
191	D	92.7	Very high	80.4	Confident	45 Å²	45	48.7 Å²	48.7	24%	0.241	29%	0.286	C	S	.	.			trans	64.3	65.5	-179.4	-155.3	-14.6	0	0	0	115.3	K50 H163 G193	K50-D191 IonicContact NZ-OD1 2.86Å; K50-D191 PolarHBondContact NZ-OD1 3.03Å; K50-D191 IonicContact NZ-OD2 2.93Å; K50-D191 PolarHBondContact NZ-OD2 3.01Å; K50-D191 VanDerWaalsContact NZ-OD2 3.16Å; H163-D191 PolarHBondContact CE1-O 3.4Å; D191-G193 PolarHBondContact O-N 3.18Å; D191-G193 VanDerWaalsContact O-N 3.09Å; D191-G193 PolarHBondContact OD1-N 3.07Å
192	F	92.1	Very high	81.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-79.5	24.7	170.8	-69.1	-89.3	0	0	0	113	E74 Q77 L78 V88 L156 I161 H163 P189 L194 S195	E74-F192 HydrophobicContact CB-CB 4.43Å; E74-F192 HydrophobicContact CG-CB 4.33Å; Q77-F192 HydrophobicContact CB-CB 3.8Å; Q77-F192 HydrophobicContact CB-CD1 3.6Å; Q77-F192 HydrophobicContact CB-CD2 4.48Å; Q77-F192 HydrophobicContact CB-CE1 4.29Å; Q77-F192 HydrophobicContact CB-CG 3.71Å; Q77-F192 HydrophobicContact CG-CB 4.17Å; Q77-F192 HydrophobicContact CG-CD1 4.05Å; Q77-F192 HydrophobicContact CG-CG 4.38Å; L78-F192 HydrophobicContact CD2-CD2 3.77Å; L78-F192 HydrophobicContact CD2-CE2 3.96Å; L78-F192 HydrophobicContact CG-CD2 4.16Å; V88-F192 HydrophobicContact CG1-CE2 4.18Å; L156-F192 HydrophobicContact CD2-CE1 4.25Å; L156-F192 HydrophobicContact CD2-CZ 4.32Å; I161-F192 HydrophobicContact CG2-CE1 4.1Å; H163-F192 HydrophobicContact CB-CE1 4.38Å; H163-F192 AromaticContact CD2-CE1 3.75Å; P189-F192 HydrophobicContact CB-CE2 4.13Å; P189-F192 HydrophobicContact CB-CZ 3.81Å; P189-F192 HydrophobicContact CG-CE2 4.16Å; P189-F192 HydrophobicContact CG-CZ 3.78Å; F192-L194 PolarHBondContact O-N 3.43Å; F192-S195 VanDerWaalsContact O-CB 3.26Å; F192-S195 WeakPolarHBondContact O-CB 3.41Å; F192-S195 PolarHBondContact O-N 3.21Å; F192-S195 VanDerWaalsContact O-N 3.14Å; F192-S195 PolarHBondContact O-OG 3.12Å
193	G	84.1	Confident	82	Confident	4 Å²	4	41.9 Å²	41.9	4%	0.041	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-65.3	-21.8	-175	0	0	0	0	0	114.7	R70 D191	R70-G193 WeakPolarHBondContact CB-O 3.48Å; R70-G193 VanDerWaalsContact CG-O 3.29Å; R70-G193 WeakPolarHBondContact CG-O 3.27Å; D191-G193 PolarHBondContact O-N 3.18Å; D191-G193 VanDerWaalsContact O-N 3.09Å; D191-G193 PolarHBondContact OD1-N 3.07Å
194	L	85.9	Confident	82.4	Confident	80 Å²	80	47.2 Å²	47.2	42%	0.419	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-109.4	6.6	177	-66.4	178.4	0	0	0	113.3	H163 D165 F192	H163-L194 CarbonylContact O-C 3.56Å; D165-L194 HydrophobicContact CB-CB 4.45Å; D165-L194 HydrophobicContact CB-CD1 4.05Å; F192-L194 PolarHBondContact O-N 3.43Å
195	S	83.5	Confident	82.2	Confident	11 Å²	11	52.5 Å²	52.5	8%	0.077	31%	0.308	C	S	.	.			trans	-68.9	153.6	-176.4	66	0	0	0	0	112.4	Q77 I162 H163 F192	Q77-S195 VanDerWaalsContact CG-CB 3.46Å; Q77-S195 WeakPolarHBondContact CG-OG 3.4Å; I162-S195 WeakPolarHBondContact O-CA 3.42Å; I162-S195 VanDerWaalsContact O-CB 3.3Å; I162-S195 WeakPolarHBondContact O-CB 3.18Å; H163-S195 WeakPolarHBondContact O-CA 3.32Å; H163-S195 PolarHBondContact O-N 2.93Å; F192-S195 VanDerWaalsContact O-CB 3.26Å; F192-S195 WeakPolarHBondContact O-CB 3.41Å; F192-S195 PolarHBondContact O-N 3.21Å; F192-S195 VanDerWaalsContact O-N 3.14Å; F192-S195 PolarHBondContact O-OG 3.12Å
196	S	76.2	Confident	82	Confident	54 Å²	54	52.2 Å²	52.2	38%	0.378	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.3	173.5	64.9	0	0	0	0	110.2	I162	I162-S196 PolarHBondContact O-N 2.84Å
197	S	66.6	Low	81.9	Confident	51 Å²	51	48.3 Å²	48.3	36%	0.357	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.9	167.7	-61.7	0	0	0	0	107.2	Q77 S199	Q77-S197 PolarHBondContact NE2-OG 3.42Å; Q77-S197 PolarHBondContact OE1-OG 2.87Å; S197-S199 PolarHBondContact O-N 2.91Å
198	S	66.8	Low	81.7	Confident	8 Å²	8	50.4 Å²	50.4	6%	0.056	30%	0.302	C	S	.	.			trans	-80.6	23.7	-173.8	-46.7	0	0	0	0	113.9	I162 G200 L201	I162-S198 WeakPolarHBondContact CG1-OG 3.4Å; S198-G200 PolarHBondContact O-N 3.29Å; S198-L201 PolarHBondContact O-N 2.83Å; S198-L201 VanDerWaalsContact O-N 3.12Å
199	S	56.8	Low	81.5	Confident	109 Å²	109	52.5 Å²	52.5	76%	0.762	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	107	-178.4	57.3	0	0	0	0	110.2	S197	S197-S199 PolarHBondContact O-N 2.91Å
200	G	60.3	Low	81.4	Confident	83 Å²	83	52.5 Å²	52.5	86%	0.856	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.4	2.7	179.8	0	0	0	0	0	115.2	S198	S198-G200 PolarHBondContact O-N 3.29Å
201	L	70.4	Confident	81.4	Confident	55 Å²	55	51.2 Å²	51.2	29%	0.288	31%	0.305	S	S	.	.			trans	-73.5	150	168.4	-86.2	78.1	0	0	0	111.3	S198 R205 L206 D209	S198-L201 PolarHBondContact O-N 2.83Å; S198-L201 VanDerWaalsContact O-N 3.12Å; L201-R205 HydrophobicContact CB-CB 4.41Å; L201-R205 HydrophobicContact CD2-CB 3.91Å; L201-R205 VanDerWaalsContact CD2-CD 3.49Å; L201-R205 HydrophobicContact CD2-CG 3.53Å; L201-R205 HydrophobicContact CG-CB 4.42Å; L201-R205 HydrophobicContact CG-CG 4.33Å; L201-L206 HydrophobicContact CB-CB 4.49Å; L201-D209 WeakPolarHBondContact CD2-OD2 3.33Å
202	T	76.7	Confident	81.6	Confident	93 Å²	93	52 Å²	52	57%	0.571	31%	0.312	S	S	*	.			trans	-61.5	147.1	166.3	58.4	0	0	0	0	109.4	Q204 R205 L206	T202-Q204 PolarHBondContact O-N 2.88Å; T202-Q204 VanDerWaalsContact O-N 3.11Å; T202-R205 PolarHBondContact O-N 3.3Å; T202-R205 WeakPolarHBondContact OG1-CB 3.36Å; T202-R205 PolarHBondContact OG1-N 3.33Å; T202-L206 PolarHBondContact O-N 2.67Å
203	S	77.3	Confident	81.7	Confident	89 Å²	89	52.1 Å²	52.1	62%	0.622	31%	0.312	S	S	*	.	H	α-helix	trans	-51	-38.7	178.4	-58	0	0	0	0	112.3	L206 A207	S203-L206 PolarHBondContact O-N 3.34Å; S203-A207 WeakPolarHBondContact O-CB 3.47Å; S203-A207 PolarHBondContact O-N 2.83Å
204	Q	78.3	Confident	82.3	Confident	121 Å²	121	52.1 Å²	52.1	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-64.3	-42.1	178	-164.9	-179.8	19.8	0	0	113.2	T202 A207 E208 E290	T202-Q204 PolarHBondContact O-N 2.88Å; T202-Q204 VanDerWaalsContact O-N 3.11Å; Q204-A207 PolarHBondContact O-N 3.16Å; Q204-E208 PolarHBondContact O-N 2.95Å; Q204-E208 VanDerWaalsContact O-N 3.09Å; Q204-E290 WeakPolarHBondContact CA-OE1 3.42Å
205	R	85	Confident	82.8	Confident	152 Å²	152	50.1 Å²	50.1	57%	0.574	30%	0.299	S	S	*	.	H	α-helix	trans	-72.7	-35.7	179	-165.4	-178.3	171.4	175	1.2	111.1	L201 T202 E208 D209	L201-R205 HydrophobicContact CB-CB 4.41Å; L201-R205 HydrophobicContact CD2-CB 3.91Å; L201-R205 VanDerWaalsContact CD2-CD 3.49Å; L201-R205 HydrophobicContact CD2-CG 3.53Å; L201-R205 HydrophobicContact CG-CB 4.42Å; L201-R205 HydrophobicContact CG-CG 4.33Å; T202-R205 PolarHBondContact O-N 3.3Å; T202-R205 WeakPolarHBondContact OG1-CB 3.36Å; T202-R205 PolarHBondContact OG1-N 3.33Å; R205-E208 PolarHBondContact O-N 2.92Å; R205-D209 PolarHBondContact O-N 2.87Å
206	L	88.1	Confident	83.3	Confident	14 Å²	14	51.9 Å²	51.9	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-43.2	173.2	-179.7	66.1	0	0	0	111.9	H160 L201 T202 S203 E208 D209 K210	H160-L206 HydrophobicContact CB-CD1 4.43Å; L201-L206 HydrophobicContact CB-CB 4.49Å; T202-L206 PolarHBondContact O-N 2.67Å; S203-L206 PolarHBondContact O-N 3.34Å; L206-E208 VanDerWaalsContact C-N 3.3Å; L206-E208 PolarHBondContact O-N 2.96Å; L206-D209 PolarHBondContact O-N 3.2Å; L206-K210 HydrophobicContact CG-CD 4.38Å; L206-K210 VanDerWaalsContact O-CG 3.29Å; L206-K210 WeakPolarHBondContact O-CG 3.36Å; L206-K210 PolarHBondContact O-N 2.91Å
207	A	92.5	Very high	84.2	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-37.9	175.3	0	0	0	0	0	111.8	S203 Q204 A211 E290 I291 K294	S203-A207 WeakPolarHBondContact O-CB 3.47Å; S203-A207 PolarHBondContact O-N 2.83Å; Q204-A207 PolarHBondContact O-N 3.16Å; A207-A211 VanDerWaalsContact O-CB 3.29Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 3.21Å; A207-E290 HydrophobicContact CB-CB 4.45Å; A207-E290 HydrophobicContact CB-CG 3.84Å; A207-I291 HydrophobicContact CB-CG1 4.11Å; A207-K294 HydrophobicContact CB-CG 4.28Å
208	E	93	Very high	85.6	Confident	61 Å²	61	47.6 Å²	47.6	29%	0.285	28%	0.277	S	S	.	.	H	α-helix	trans	-64.4	-46.3	173.5	-175.7	164.8	-154.1	0	0	112.2	Q204 R205 L206 K210 A211 V212 R301	Q204-E208 PolarHBondContact O-N 2.95Å; Q204-E208 VanDerWaalsContact O-N 3.09Å; R205-E208 PolarHBondContact O-N 2.92Å; L206-E208 VanDerWaalsContact C-N 3.3Å; L206-E208 PolarHBondContact O-N 2.96Å; E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.5Å; E208-A211 WeakPolarHBondContact O-CB 3.34Å; E208-A211 PolarHBondContact O-N 3.22Å; E208-A211 VanDerWaalsContact O-N 3.14Å; E208-V212 HydrophobicContact CG-CG2 4.48Å; E208-V212 WeakPolarHBondContact O-CG2 3.49Å; E208-V212 PolarHBondContact O-N 3.33Å; E208-R301 IonicContact OE1-CZ 3.68Å; E208-R301 VanDerWaalsContact OE1-CZ 3.32Å; E208-R301 IonicContact OE1-NH1 2.67Å; E208-R301 PolarHBondContact OE1-NH1 3.17Å; E208-R301 IonicContact OE1-NH2 2.64Å; E208-R301 PolarHBondContact OE1-NH2 2.91Å
209	D	93	Very high	86.9	Confident	45 Å²	45	51.2 Å²	51.2	24%	0.241	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-42.4	179.2	-70.9	-16.7	0	0	0	111.7	I162 L201 R205 L206 A211 V212 D213	I162-D209 HydrophobicContact CD1-CB 4.4Å; I162-D209 HydrophobicContact CG1-CB 4.21Å; L201-D209 WeakPolarHBondContact CD2-OD2 3.33Å; R205-D209 PolarHBondContact O-N 2.87Å; L206-D209 PolarHBondContact O-N 3.2Å; D209-A211 VanDerWaalsContact C-N 3.34Å; D209-A211 PolarHBondContact O-N 3.14Å; D209-V212 PolarHBondContact O-N 3.49Å; D209-D213 PolarHBondContact O-N 3.48Å
210	K	95.2	Very high	88.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-41.9	173.6	-68.9	171.6	177.4	-172.1	0	112.1	H157 H160 I162 L206 E208 D213 L214 Y258 E287 I291	H157-K210 HydrophobicContact CB-CD 4.02Å; H157-K210 HydrophobicContact CB-CG 4.14Å; H157-K210 PolarHBondContact CE1-O 3.31Å; H157-K210 WeakPolarHBondContact O-CE 3.31Å; H157-K210 PolarHBondContact O-NZ 3.13Å; H160-K210 PolarHBondContact ND1-NZ 3.21Å; I162-K210 HydrophobicContact CD1-CB 4.24Å; I162-K210 HydrophobicContact CD1-CG 3.37Å; L206-K210 HydrophobicContact CG-CD 4.38Å; L206-K210 VanDerWaalsContact O-CG 3.29Å; L206-K210 WeakPolarHBondContact O-CG 3.36Å; L206-K210 PolarHBondContact O-N 2.91Å; E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.5Å; K210-D213 PolarHBondContact O-N 3.07Å; K210-L214 WeakPolarHBondContact O-CG 3.32Å; K210-L214 PolarHBondContact O-N 3.09Å; K210-Y258 PolarHBondContact NZ-OH 3.31Å; K210-E287 IonicContact NZ-OE1 2.68Å; K210-E287 PolarHBondContact NZ-OE1 2.87Å; K210-I291 HydrophobicContact CB-CD1 4.48Å; K210-I291 HydrophobicContact CB-CG1 4.2Å; K210-I291 HydrophobicContact CB-CG2 3.93Å; K210-I291 HydrophobicContact CD-CD1 3.44Å; K210-I291 VanDerWaalsContact CD-CD1 3.44Å; K210-I291 HydrophobicContact CD-CG1 3.79Å
211	A	95.9	Very high	90.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.4	-38	177.6	0	0	0	0	0	112.3	A207 E208 D209 D213 L214 Y215 K294 L295 V298	A207-A211 VanDerWaalsContact O-CB 3.29Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 3.21Å; E208-A211 WeakPolarHBondContact O-CB 3.34Å; E208-A211 PolarHBondContact O-N 3.22Å; E208-A211 VanDerWaalsContact O-N 3.14Å; D209-A211 VanDerWaalsContact C-N 3.34Å; D209-A211 PolarHBondContact O-N 3.14Å; A211-D213 VanDerWaalsContact C-N 3.35Å; A211-L214 PolarHBondContact O-N 3.37Å; A211-Y215 WeakPolarHBondContact O-CB 3.25Å; A211-Y215 PolarHBondContact O-N 2.81Å; A211-K294 HydrophobicContact CB-CB 3.56Å; A211-L295 HydrophobicContact CB-CB 4.24Å; A211-L295 WeakPolarHBondContact O-CD1 3.5Å; A211-V298 HydrophobicContact CB-CG2 4.26Å
212	V	95.1	Very high	91.3	Very high	62 Å²	62	41.6 Å²	41.6	38%	0.376	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-42.5	173.5	174.6	0	0	0	0	110.5	E208 D209 Y215 V216 V298	E208-V212 HydrophobicContact CG-CG2 4.48Å; E208-V212 WeakPolarHBondContact O-CG2 3.49Å; E208-V212 PolarHBondContact O-N 3.33Å; D209-V212 PolarHBondContact O-N 3.49Å; V212-Y215 WeakPolarHBondContact O-CB 3.33Å; V212-Y215 PolarHBondContact O-N 2.81Å; V212-V216 HydrophobicContact CG1-CG2 4.41Å; V212-V216 WeakPolarHBondContact O-CG2 3.41Å; V212-V216 PolarHBondContact O-N 3.3Å; V212-V298 HydrophobicContact CG2-CG2 4.07Å
213	D	95.2	Very high	91.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.011	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-44.8	178.4	-140.4	14.1	0	0	0	111.5	H157 I162 H163 G164 L166 D209 K210 A211 Y215 V216 F217	H157-D213 IonicContact NE2-OD2 3.74Å; I162-D213 HydrophobicContact CG2-CB 4.14Å; H163-D213 WeakPolarHBondContact CB-OD2 3.16Å; H163-D213 PolarHBondContact N-OD2 3.27Å; G164-D213 WeakPolarHBondContact CA-OD1 3.35Å; G164-D213 PolarHBondContact N-OD1 2.88Å; G164-D213 PolarHBondContact N-OD2 3.33Å; L166-D213 HydrophobicContact CD1-CB 4.02Å; L166-D213 WeakPolarHBondContact CD1-OD2 3.17Å; L166-D213 WeakPolarHBondContact CG-OD1 3.39Å; D209-D213 PolarHBondContact O-N 3.48Å; K210-D213 PolarHBondContact O-N 3.07Å; A211-D213 VanDerWaalsContact C-N 3.35Å; D213-Y215 VanDerWaalsContact C-N 3.32Å; D213-Y215 PolarHBondContact O-N 3.07Å; D213-V216 PolarHBondContact O-N 3.19Å; D213-F217 PolarHBondContact O-N 3.28Å; D213-F217 VanDerWaalsContact O-N 3.08Å
214	L	96.7	Very high	92.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-39.2	172.9	-69.5	-179.1	0	0	0	112.2	L153 K210 A211 F217 E218 I251 Y254 I291 L295	L153-L214 HydrophobicContact CB-CD2 4.48Å; L153-L214 HydrophobicContact CD1-CD2 4.01Å; K210-L214 WeakPolarHBondContact O-CG 3.32Å; K210-L214 PolarHBondContact O-N 3.09Å; A211-L214 PolarHBondContact O-N 3.37Å; L214-F217 PolarHBondContact O-N 3.45Å; L214-E218 PolarHBondContact O-N 2.79Å; L214-I251 HydrophobicContact CD1-CD1 4.17Å; L214-I251 HydrophobicContact CD2-CD1 4.49Å; L214-Y254 HydrophobicContact CD1-CE1 4.35Å; L214-Y254 HydrophobicContact CD2-CE2 4.4Å; L214-I291 HydrophobicContact CD1-CG2 4.04Å; L214-L295 HydrophobicContact CB-CD1 4.03Å; L214-L295 HydrophobicContact CB-CD2 4.27Å; L214-L295 HydrophobicContact CD1-CD2 4.24Å
215	Y	95.9	Very high	93	Very high	38 Å²	38	35.2 Å²	35.2	15%	0.149	18%	0.184	C	C	.	.	H	α-helix	trans	-67.6	-39.9	178.5	-179.6	-105.6	0	0	0	112.3	A211 V212 D213 F217 E218 R219 V298 R299	A211-Y215 WeakPolarHBondContact O-CB 3.25Å; A211-Y215 PolarHBondContact O-N 2.81Å; V212-Y215 WeakPolarHBondContact O-CB 3.33Å; V212-Y215 PolarHBondContact O-N 2.81Å; D213-Y215 VanDerWaalsContact C-N 3.32Å; D213-Y215 PolarHBondContact O-N 3.07Å; Y215-F217 VanDerWaalsContact C-N 3.29Å; Y215-F217 PolarHBondContact O-N 2.93Å; Y215-E218 WeakPolarHBondContact O-CB 3.36Å; Y215-E218 PolarHBondContact O-N 3.1Å; Y215-R219 HydrophobicContact CD1-CG 4.33Å; Y215-R219 HydrophobicContact CE1-CG 3.88Å; Y215-R219 HydrophobicContact CE2-CG 4.23Å; Y215-R219 WeakPolarHBondContact O-CG 3.33Å; Y215-R219 PolarHBondContact O-N 3.3Å; Y215-V298 HydrophobicContact CD1-CG1 3.58Å; Y215-V298 HydrophobicContact CD2-CG1 3.98Å; Y215-V298 HydrophobicContact CE1-CG1 4.22Å; Y215-V298 HydrophobicContact CG-CB 4.49Å; Y215-V298 HydrophobicContact CG-CG1 3.43Å; Y215-V298 VanDerWaalsContact CG-CG1 3.43Å; Y215-R299 HydrophobicContact CD2-CG 3.95Å; Y215-R299 HydrophobicContact CE2-CG 4.07Å
216	V	94.3	Very high	93.2	Very high	48 Å²	48	31.5 Å²	31.5	29%	0.291	18%	0.175	S	C	.	.	H	α-helix	trans	-59.9	-44.3	173.7	170.9	0	0	0	0	110	V212 D213 R219 A220	V212-V216 HydrophobicContact CG1-CG2 4.41Å; V212-V216 WeakPolarHBondContact O-CG2 3.41Å; V212-V216 PolarHBondContact O-N 3.3Å; D213-V216 PolarHBondContact O-N 3.19Å; V216-R219 PolarHBondContact O-N 3.01Å; V216-A220 PolarHBondContact O-N 2.61Å
217	F	96.1	Very high	93.2	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-43.4	176.9	-174.5	-114	0	0	0	113.1	L113 L149 L153 L166 M168 I171 D213 L214 Y215 R219 A220 L221 I250	L113-F217 HydrophobicContact CD2-CE2 4.21Å; L113-F217 HydrophobicContact CD2-CZ 4.27Å; L149-F217 HydrophobicContact CD1-CZ 4.4Å; L149-F217 HydrophobicContact CD2-CZ 4.39Å; L153-F217 HydrophobicContact CD1-CD1 3.91Å; L153-F217 HydrophobicContact CD1-CE1 4.02Å; L166-F217 HydrophobicContact CB-CB 3.89Å; L166-F217 HydrophobicContact CB-CD2 4.27Å; L166-F217 HydrophobicContact CB-CG 4.46Å; L166-F217 WeakPolarHBondContact O-CA 3.29Å; L166-F217 PolarHBondContact O-N 2.95Å; M168-F217 HydrophobicContact SD-CE2 3.92Å; M168-F217 HydrophobicContact SD-CZ 4.35Å; I171-F217 HydrophobicContact CD1-CD2 4.23Å; I171-F217 HydrophobicContact CD1-CE2 3.64Å; I171-F217 HydrophobicContact CD1-CZ 4.32Å; D213-F217 PolarHBondContact O-N 3.28Å; D213-F217 VanDerWaalsContact O-N 3.08Å; L214-F217 PolarHBondContact O-N 3.45Å; Y215-F217 VanDerWaalsContact C-N 3.29Å; Y215-F217 PolarHBondContact O-N 2.93Å; F217-R219 VanDerWaalsContact C-N 3.34Å; F217-R219 PolarHBondContact O-N 3.16Å; F217-A220 WeakPolarHBondContact O-CB 3.41Å; F217-A220 PolarHBondContact O-N 2.92Å; F217-L221 HydrophobicContact CD1-CD1 3.93Å; F217-L221 HydrophobicContact CE1-CD1 3.45Å; F217-L221 VanDerWaalsContact CE1-CD1 3.45Å; F217-L221 HydrophobicContact CE1-CG 4.18Å; F217-L221 HydrophobicContact CE2-CG 4.49Å; F217-L221 HydrophobicContact CZ-CD1 3.82Å; F217-L221 HydrophobicContact CZ-CD2 4.45Å; F217-L221 HydrophobicContact CZ-CG 4.1Å; F217-L221 PolarHBondContact O-N 3.03Å; F217-I250 HydrophobicContact CE1-CD1 3.95Å; F217-I250 HydrophobicContact CE1-CG2 4.33Å; F217-I250 HydrophobicContact CZ-CD1 4.43Å
218	E	95.6	Very high	92.9	Very high	14 Å²	14	43.1 Å²	43.1	7%	0.065	23%	0.226	C	C	.	.	H	α-helix	trans	-55.3	-48.8	172.7	163.2	175.3	169.8	0	0	111.5	L214 Y215 A220 L221 T222 L247 R299	L214-E218 PolarHBondContact O-N 2.79Å; Y215-E218 WeakPolarHBondContact O-CB 3.36Å; Y215-E218 PolarHBondContact O-N 3.1Å; E218-A220 VanDerWaalsContact C-N 3.29Å; E218-A220 PolarHBondContact O-N 3.03Å; E218-L221 WeakPolarHBondContact O-CB 3.33Å; E218-L221 PolarHBondContact O-N 3.21Å; E218-T222 PolarHBondContact O-N 2.92Å; E218-T222 PolarHBondContact O-OG1 3.27Å; E218-L247 HydrophobicContact CB-CD1 4.25Å; E218-L247 HydrophobicContact CB-CD2 3.6Å; E218-L247 VanDerWaalsContact CD-CD2 3.47Å; E218-L247 HydrophobicContact CG-CD2 3.42Å; E218-L247 VanDerWaalsContact CG-CD2 3.42Å; E218-R299 IonicContact OE1-NE 2.95Å; E218-R299 IonicContact OE1-NH2 3.37Å; E218-R299 IonicContact OE2-CZ 3.62Å; E218-R299 IonicContact OE2-NE 3.21Å; E218-R299 PolarHBondContact OE2-NE 3.4Å; E218-R299 IonicContact OE2-NH2 3.83Å; E218-R299 PolarHBondContact OE2-NH2 3.27Å
219	R	94.3	Very high	92.7	Very high	83 Å²	83	40.4 Å²	40.4	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-62.3	-39.9	178.6	-68.3	-60.1	93.9	-178.4	2.2	111.2	Y215 V216 F217 L221 T222 C223	Y215-R219 HydrophobicContact CD1-CG 4.33Å; Y215-R219 HydrophobicContact CE1-CG 3.88Å; Y215-R219 HydrophobicContact CE2-CG 4.23Å; Y215-R219 WeakPolarHBondContact O-CG 3.33Å; Y215-R219 PolarHBondContact O-N 3.3Å; V216-R219 PolarHBondContact O-N 3.01Å; F217-R219 VanDerWaalsContact C-N 3.34Å; F217-R219 PolarHBondContact O-N 3.16Å; R219-L221 VanDerWaalsContact C-N 3.33Å; R219-L221 PolarHBondContact O-N 3.04Å; R219-T222 PolarHBondContact O-N 3.39Å; R219-C223 VanDerWaalsContact O-CB 3.29Å; R219-C223 WeakPolarHBondContact O-CB 3.37Å; R219-C223 PolarHBondContact O-N 2.96Å; R219-C223 PolarHBondContact O-SG 3.48Å
220	A	93.2	Very high	92.5	Very high	14 Å²	14	38.5 Å²	38.5	12%	0.116	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-40.6	176.7	0	0	0	0	0	112.1	M168 V216 F217 E218 S224	M168-A220 HydrophobicContact CG-CB 4.09Å; V216-A220 PolarHBondContact O-N 2.61Å; F217-A220 WeakPolarHBondContact O-CB 3.41Å; F217-A220 PolarHBondContact O-N 2.92Å; E218-A220 VanDerWaalsContact C-N 3.29Å; E218-A220 PolarHBondContact O-N 3.03Å; A220-S224 WeakPolarHBondContact O-CB 3.34Å; A220-S224 PolarHBondContact O-N 3.44Å; A220-S224 PolarHBondContact O-OG 3.4Å
221	L	93.6	Very high	92.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-54.9	174	-80	167.5	0	0	0	111.5	M168 F217 E218 R219 C223 S224 L225 L247 I250	M168-L221 HydrophobicContact CE-CD2 3.46Å; M168-L221 VanDerWaalsContact CE-CD2 3.46Å; M168-L221 HydrophobicContact CE-CG 4.45Å; M168-L221 HydrophobicContact SD-CD2 3.44Å; M168-L221 WeakPolarHBondContact SD-CD2 3.4Å; M168-L221 HydrophobicContact SD-CG 3.84Å; F217-L221 HydrophobicContact CD1-CD1 3.93Å; F217-L221 HydrophobicContact CE1-CD1 3.45Å; F217-L221 VanDerWaalsContact CE1-CD1 3.45Å; F217-L221 HydrophobicContact CE1-CG 4.18Å; F217-L221 HydrophobicContact CE2-CG 4.49Å; F217-L221 HydrophobicContact CZ-CD1 3.82Å; F217-L221 HydrophobicContact CZ-CD2 4.45Å; F217-L221 HydrophobicContact CZ-CG 4.1Å; F217-L221 PolarHBondContact O-N 3.03Å; E218-L221 WeakPolarHBondContact O-CB 3.33Å; E218-L221 PolarHBondContact O-N 3.21Å; R219-L221 VanDerWaalsContact C-N 3.33Å; R219-L221 PolarHBondContact O-N 3.04Å; L221-C223 VanDerWaalsContact C-N 3.28Å; L221-C223 PolarHBondContact O-N 2.98Å; L221-S224 PolarHBondContact O-N 3.35Å; L221-L225 HydrophobicContact CB-CD1 4.3Å; L221-L225 HydrophobicContact CD2-CD1 3.82Å; L221-L225 HydrophobicContact CD2-CG 4.45Å; L221-L225 WeakPolarHBondContact O-CB 3.33Å; L221-L225 VanDerWaalsContact O-CG 3.22Å; L221-L225 WeakPolarHBondContact O-CG 3.31Å; L221-L225 PolarHBondContact O-N 2.85Å; L221-L225 VanDerWaalsContact O-N 3.1Å; L221-L247 HydrophobicContact CD1-CD1 4.15Å; L221-I250 HydrophobicContact CD1-CD1 3.9Å
222	T	91.9	Very high	91.7	Very high	30 Å²	30	46.1 Å²	46.1	18%	0.184	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-38	-178	-54.5	0	0	0	0	112.1	E218 R219	E218-T222 PolarHBondContact O-N 2.92Å; E218-T222 PolarHBondContact O-OG1 3.27Å; R219-T222 PolarHBondContact O-N 3.39Å
223	C	89.7	Confident	91.2	Very high	106 Å²	106	43.3 Å²	43.3	72%	0.716	23%	0.227	S	C	*	.	H	α-helix	trans	-80.4	-28.5	-178.6	-68.3	0	0	0	0	114	R219 L221	R219-C223 VanDerWaalsContact O-CB 3.29Å; R219-C223 WeakPolarHBondContact O-CB 3.37Å; R219-C223 PolarHBondContact O-N 2.96Å; R219-C223 PolarHBondContact O-SG 3.48Å; L221-C223 VanDerWaalsContact C-N 3.28Å; L221-C223 PolarHBondContact O-N 2.98Å
224	S	88.4	Confident	90.7	Very high	51 Å²	51	43.2 Å²	43.2	36%	0.357	23%	0.227	S	C	.	.	H	α-helix	trans	-95.6	-21.5	-172.8	-56	0	0	0	0	113.9	A220 L221	A220-S224 WeakPolarHBondContact O-CB 3.34Å; A220-S224 PolarHBondContact O-N 3.44Å; A220-S224 PolarHBondContact O-OG 3.4Å; L221-S224 PolarHBondContact O-N 3.35Å
225	L	89.8	Confident	90.1	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	25%	0.252	C	S	.	.	S	Bend	trans	-83.8	132.2	-175.9	-69.5	175.6	0	0	0	111.8	F117 M168 L221 H227 P243 L246	F117-L225 HydrophobicContact CB-CD2 3.75Å; F117-L225 HydrophobicContact CD1-CD2 3.16Å; F117-L225 HydrophobicContact CD2-CD2 3.76Å; F117-L225 HydrophobicContact CE1-CD2 3.53Å; F117-L225 HydrophobicContact CE2-CD2 4.08Å; F117-L225 HydrophobicContact CG-CD2 3.28Å; F117-L225 HydrophobicContact CZ-CD2 3.97Å; M168-L225 HydrophobicContact CE-CD2 4.45Å; L221-L225 HydrophobicContact CB-CD1 4.3Å; L221-L225 HydrophobicContact CD2-CD1 3.82Å; L221-L225 HydrophobicContact CD2-CG 4.45Å; L221-L225 WeakPolarHBondContact O-CB 3.33Å; L221-L225 VanDerWaalsContact O-CG 3.22Å; L221-L225 WeakPolarHBondContact O-CG 3.31Å; L221-L225 PolarHBondContact O-N 2.85Å; L221-L225 VanDerWaalsContact O-N 3.1Å; L225-H227 PolarHBondContact O-N 3.36Å; L225-P243 HydrophobicContact CB-CG 3.92Å; L225-P243 HydrophobicContact CD1-CB 3.89Å; L225-P243 HydrophobicContact CD1-CG 3.91Å; L225-L246 HydrophobicContact CD1-CD1 3.89Å
226	D	89.1	Confident	89.6	Confident	73 Å²	73	47.6 Å²	47.6	39%	0.39	27%	0.271	S	S	.	.			trans	-77.9	100.9	169.8	-177.6	-14.7	0	0	0	109.5	K228 A229 L230	D226-K228 PolarHBondContact O-N 2.84Å; D226-K228 WeakPolarHBondContact OD1-CB 3.43Å; D226-K228 PolarHBondContact OD1-N 2.87Å; D226-A229 HydrophobicContact CB-CB 3.88Å; D226-A229 PolarHBondContact O-N 2.79Å; D226-A229 PolarHBondContact OD1-N 2.91Å; D226-A229 VanDerWaalsContact OD1-N 3.16Å; D226-L230 WeakPolarHBondContact O-CB 3.5Å; D226-L230 PolarHBondContact O-N 3.06Å
227	H	88.6	Confident	89.4	Confident	80 Å²	80	46.4 Å²	46.4	37%	0.37	26%	0.262	S	S	.	.	H	α-helix	trans	-55.2	-37.6	179.5	-72.2	-104.1	0	0	0	113	L225 S231 P243	L225-H227 PolarHBondContact O-N 3.36Å; H227-S231 VanDerWaalsContact O-CB 3.25Å; H227-S231 WeakPolarHBondContact O-CB 3.38Å; H227-S231 PolarHBondContact O-N 2.77Å; H227-P243 WeakPolarHBondContact CE1-CD 3.31Å; H227-P243 WeakPolarHBondContact CE1-CG 3.46Å; H227-P243 VanDerWaalsContact ND1-CD 3.29Å; H227-P243 WeakPolarHBondContact ND1-CD 3.4Å
228	K	87.3	Confident	89.1	Confident	179 Å²	179	50.8 Å²	50.8	78%	0.778	29%	0.293	S	S	*	.	H	α-helix	trans	-71.4	-44.6	-177.7	-66.8	-178.1	179.7	179.1	0	110.3	D226 K232	D226-K228 PolarHBondContact O-N 2.84Å; D226-K228 WeakPolarHBondContact OD1-CB 3.43Å; D226-K228 PolarHBondContact OD1-N 2.87Å; K228-K232 WeakPolarHBondContact O-CB 3.29Å; K228-K232 PolarHBondContact O-N 2.8Å
229	A	86.9	Confident	88.9	Confident	5 Å²	5	52.6 Å²	52.6	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-46.5	177.4	0	0	0	0	0	111.4	A124 D226 K232 I233	A124-A229 HydrophobicContact CB-CB 3.72Å; D226-A229 HydrophobicContact CB-CB 3.88Å; D226-A229 PolarHBondContact O-N 2.79Å; D226-A229 PolarHBondContact OD1-N 2.91Å; D226-A229 VanDerWaalsContact OD1-N 3.16Å; A229-K232 PolarHBondContact O-N 2.8Å; A229-I233 WeakPolarHBondContact O-CD1 3.49Å; A229-I233 VanDerWaalsContact O-CG1 3.32Å; A229-I233 WeakPolarHBondContact O-CG1 3.15Å; A229-I233 PolarHBondContact O-N 2.61Å; A229-I233 VanDerWaalsContact O-N 3.07Å
230	L	88.8	Confident	88.8	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-59.4	-52.1	178.5	-175.1	64	0	0	0	111.1	L142 D226 K232 I233 T234 L240 L246	L142-L230 HydrophobicContact CD1-CD1 4.06Å; D226-L230 WeakPolarHBondContact O-CB 3.5Å; D226-L230 PolarHBondContact O-N 3.06Å; L230-K232 VanDerWaalsContact C-N 3.25Å; L230-K232 PolarHBondContact O-N 3.17Å; L230-I233 PolarHBondContact O-N 3.06Å; L230-T234 HydrophobicContact CD1-CG2 4.43Å; L230-T234 PolarHBondContact O-N 3.48Å; L230-T234 PolarHBondContact O-OG1 3.34Å; L230-L240 WeakPolarHBondContact CD2-O 3.24Å; L230-L240 WeakPolarHBondContact CG-O 3.28Å; L230-L246 HydrophobicContact CD1-CD1 4.19Å; L230-L246 HydrophobicContact CD2-CD1 3.71Å; L230-L246 HydrophobicContact CD2-CG 4.33Å
231	S	88.1	Confident	88.6	Confident	57 Å²	57	50 Å²	50	40%	0.399	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-32.6	179.6	-180	0	0	0	0	113.3	H227 A235	H227-S231 VanDerWaalsContact O-CB 3.25Å; H227-S231 WeakPolarHBondContact O-CB 3.38Å; H227-S231 PolarHBondContact O-N 2.77Å; S231-A235 WeakPolarHBondContact O-CA 3.48Å; S231-A235 PolarHBondContact O-N 2.99Å
232	K	86	Confident	88.5	Confident	103 Å²	103	52 Å²	52	45%	0.448	31%	0.306	S	S	.	.	H	α-helix	trans	-70.3	-42.8	177.3	-173	-176.1	176.6	-164.3	0	111.3	A124 K228 A229 L230	A124-K232 PolarHBondContact O-NZ 2.73Å; K228-K232 WeakPolarHBondContact O-CB 3.29Å; K228-K232 PolarHBondContact O-N 2.8Å; A229-K232 PolarHBondContact O-N 2.8Å; L230-K232 VanDerWaalsContact C-N 3.25Å; L230-K232 PolarHBondContact O-N 3.17Å
233	I	84.5	Confident	88.5	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-70.9	-39	-177.6	-67.5	162.4	0	0	0	111.4	L120 A124 L129 T138 A229 L230	L120-I233 HydrophobicContact CD1-CD1 4.31Å; L120-I233 HydrophobicContact CG-CD1 3.89Å; L120-I233 WeakPolarHBondContact O-CD1 3.25Å; A124-I233 HydrophobicContact CB-CD1 3.44Å; A124-I233 VanDerWaalsContact CB-CD1 3.44Å; A124-I233 HydrophobicContact CB-CG1 3.59Å; L129-I233 HydrophobicContact CD1-CG1 4.29Å; T138-I233 HydrophobicContact CG2-CG2 3.38Å; A229-I233 WeakPolarHBondContact O-CD1 3.49Å; A229-I233 VanDerWaalsContact O-CG1 3.32Å; A229-I233 WeakPolarHBondContact O-CG1 3.15Å; A229-I233 PolarHBondContact O-N 2.61Å; A229-I233 VanDerWaalsContact O-N 3.07Å; L230-I233 PolarHBondContact O-N 3.06Å
234	T	86.4	Confident	88.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	34.8	-175.2	67.7	0	0	0	0	111.7	L142 L230 A236 H237 L240 N241	L142-T234 HydrophobicContact CD1-CG2 3.53Å; L230-T234 HydrophobicContact CD1-CG2 4.43Å; L230-T234 PolarHBondContact O-N 3.48Å; L230-T234 PolarHBondContact O-OG1 3.34Å; T234-A236 PolarHBondContact O-N 2.9Å; T234-H237 CarbonylContact O-C 3.54Å; T234-H237 PolarHBondContact O-N 3.46Å; T234-H237 VanDerWaalsContact O-O 3.13Å; T234-L240 HydrophobicContact CG2-CB 3.91Å; T234-L240 PolarHBondContact OG1-O 3.39Å; T234-N241 WeakPolarHBondContact OG1-CA 3.3Å; T234-N241 PolarHBondContact OG1-N 3.45Å
235	A	84.3	Confident	88.9	Confident	67 Å²	67	48 Å²	48	55%	0.554	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.5	-176.3	0	0	0	0	0	112.9	S231 H237	S231-A235 WeakPolarHBondContact O-CA 3.48Å; S231-A235 PolarHBondContact O-N 2.99Å; A235-H237 VanDerWaalsContact C-N 3.33Å
236	A	85.2	Confident	89.2	Confident	67 Å²	67	47.6 Å²	47.6	55%	0.554	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.8	176	0	0	0	0	0	114.3	T234	T234-A236 PolarHBondContact O-N 2.9Å
237	H	89.7	Confident	89.5	Confident	23 Å²	23	44.5 Å²	44.5	11%	0.106	25%	0.253	C	S	.	.			trans	-121.5	88.7	-172.5	-66.7	-90	0	0	0	110.4	E136 A139 R143 T234 A235 D239 L240 N241	E136-H237 IonicContact OE1-CE1 3.32Å; E136-H237 IonicContact OE1-NE2 3.91Å; E136-H237 IonicContact OE2-CE1 2.81Å; E136-H237 PolarHBondContact OE2-CE1 3.28Å; E136-H237 VanDerWaalsContact OE2-CE1 3.26Å; E136-H237 IonicContact OE2-NE2 2.84Å; E136-H237 PolarHBondContact OE2-NE2 2.95Å; A139-H237 VanDerWaalsContact CB-CD2 3.43Å; A139-H237 WeakPolarHBondContact CB-CD2 3.39Å; A139-H237 WeakPolarHBondContact CB-NE2 2.97Å; R143-H237 PolarHBondContact NH2-ND1 3.4Å; R143-H237 VanDerWaalsContact NH2-ND1 3.18Å; T234-H237 CarbonylContact O-C 3.54Å; T234-H237 PolarHBondContact O-N 3.46Å; T234-H237 VanDerWaalsContact O-O 3.13Å; A235-H237 VanDerWaalsContact C-N 3.33Å; H237-D239 PolarHBondContact O-N 3.46Å; H237-D239 VanDerWaalsContact O-N 3.14Å; H237-L240 HydrophobicContact CB-CB 4.22Å; H237-L240 HydrophobicContact CB-CD1 3.93Å; H237-L240 HydrophobicContact CB-CG 4.25Å; H237-L240 PolarHBondContact O-N 3.02Å; H237-N241 PolarHBondContact O-N 2.92Å
238	S	88.6	Confident	89.8	Confident	92 Å²	92	45.3 Å²	45.3	64%	0.643	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.8	-176.5	58.8	0	0	0	0	114.1	L240 N241 S245	S238-L240 VanDerWaalsContact C-N 3.33Å; S238-N241 PolarHBondContact O-OD1 3.01Å; S238-S245 PolarHBondContact O-OG 3.48Å
239	D	91.5	Very high	90.2	Very high	53 Å²	53	38.4 Å²	38.4	28%	0.283	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1	176.6	63.7	-28.5	0	0	0	113.8	R143 H237 S245 L249	R143-D239 IonicContact CZ-OD1 2.62Å; R143-D239 IonicContact CZ-OD2 2.72Å; R143-D239 IonicContact NH1-OD1 3.02Å; R143-D239 IonicContact NH1-OD2 3.44Å; R143-D239 PolarHBondContact NH1-OD2 2.97Å; R143-D239 VanDerWaalsContact NH2-CG 3.28Å; R143-D239 IonicContact NH2-OD1 2.77Å; R143-D239 PolarHBondContact NH2-OD1 3.37Å; R143-D239 IonicContact NH2-OD2 3.16Å; R143-D239 PolarHBondContact NH2-OD2 3.2Å; H237-D239 PolarHBondContact O-N 3.46Å; H237-D239 VanDerWaalsContact O-N 3.14Å; D239-S245 VanDerWaalsContact C-CB 3.44Å; D239-S245 CarbonylContact O-C 3.52Å; D239-S245 WeakPolarHBondContact O-CB 3.47Å; D239-L249 WeakPolarHBondContact O-CD1 3.34Å
240	L	92.5	Very high	90.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-9.2	178.2	-61.8	174.9	0	0	0	113.8	A139 L142 R143 L230 T234 H237 S238 T242 L246 L249	A139-L240 HydrophobicContact CB-CD1 3.68Å; L142-L240 HydrophobicContact CB-CD1 4.26Å; L142-L240 HydrophobicContact CB-CD2 4.13Å; R143-L240 HydrophobicContact CG-CD1 4.16Å; R143-L240 HydrophobicContact CG-CD2 4.26Å; L230-L240 WeakPolarHBondContact CD2-O 3.24Å; L230-L240 WeakPolarHBondContact CG-O 3.28Å; T234-L240 HydrophobicContact CG2-CB 3.91Å; T234-L240 PolarHBondContact OG1-O 3.39Å; H237-L240 HydrophobicContact CB-CB 4.22Å; H237-L240 HydrophobicContact CB-CD1 3.93Å; H237-L240 HydrophobicContact CB-CG 4.25Å; H237-L240 PolarHBondContact O-N 3.02Å; S238-L240 VanDerWaalsContact C-N 3.33Å; L240-T242 VanDerWaalsContact C-N 3.31Å; L240-T242 PolarHBondContact O-N 3.22Å; L240-L246 HydrophobicContact CB-CD2 4.31Å; L240-L246 HydrophobicContact CD2-CD2 3.62Å; L240-L249 HydrophobicContact CD2-CD1 3.31Å; L240-L249 HydrophobicContact CG-CD1 4.39Å
241	N	89.1	Confident	91.1	Very high	43 Å²	43	39.3 Å²	39.3	23%	0.23	24%	0.235	C	C	.	.	S	Bend	trans	-79.4	-4.6	-168.1	68.3	-1.1	0	0	0	115.8	T234 H237 S238	T234-N241 WeakPolarHBondContact OG1-CA 3.3Å; T234-N241 PolarHBondContact OG1-N 3.45Å; H237-N241 PolarHBondContact O-N 2.92Å; S238-N241 PolarHBondContact O-OD1 3.01Å
242	T	92	Very high	91.5	Very high	42 Å²	42	42.9 Å²	42.9	26%	0.258	24%	0.243	S	C	.	.	S	Bend	trans	-135.6	153	175.8	67.8	0	0	0	0	111.4	L240 E244 S245 L246	L240-T242 VanDerWaalsContact C-N 3.31Å; L240-T242 PolarHBondContact O-N 3.22Å; T242-E244 PolarHBondContact O-N 2.76Å; T242-S245 PolarHBondContact O-N 3.15Å; T242-S245 VanDerWaalsContact O-N 3.11Å; T242-S245 WeakPolarHBondContact OG1-CB 3.3Å; T242-S245 PolarHBondContact OG1-N 3.09Å; T242-S245 PolarHBondContact OG1-OG 2.68Å; T242-L246 PolarHBondContact O-N 2.96Å
243	P	91.9	Very high	92	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-53.5	-36.5	170.2	-29.3	39.5	0	0	0	113	L225 H227 L246 L247	L225-P243 HydrophobicContact CB-CG 3.92Å; L225-P243 HydrophobicContact CD1-CB 3.89Å; L225-P243 HydrophobicContact CD1-CG 3.91Å; H227-P243 WeakPolarHBondContact CE1-CD 3.31Å; H227-P243 WeakPolarHBondContact CE1-CG 3.46Å; H227-P243 VanDerWaalsContact ND1-CD 3.29Å; H227-P243 WeakPolarHBondContact ND1-CD 3.4Å; P243-L246 PolarHBondContact O-N 3Å; P243-L247 WeakPolarHBondContact O-CB 3.36Å; P243-L247 PolarHBondContact O-N 3.22Å
244	E	92.5	Very high	92.6	Very high	82 Å²	82	38.1 Å²	38.1	38%	0.383	22%	0.223	S	C	.	.	H	α-helix	trans	-64.5	-44.3	176.3	-66.6	72.2	-160.5	0	0	111.4	T242 L247 N248	T242-E244 PolarHBondContact O-N 2.76Å; E244-L247 PolarHBondContact O-N 2.72Å; E244-N248 VanDerWaalsContact O-CG 3.22Å; E244-N248 PolarHBondContact O-N 3.16Å; E244-N248 PolarHBondContact O-ND2 2.76Å
245	S	94	Very high	93	Very high	22 Å²	22	45.8 Å²	45.8	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-43.2	175.9	-54.4	0	0	0	0	111.5	S238 D239 T242 L247 N248 L249	S238-S245 PolarHBondContact O-OG 3.48Å; D239-S245 VanDerWaalsContact C-CB 3.44Å; D239-S245 CarbonylContact O-C 3.52Å; D239-S245 WeakPolarHBondContact O-CB 3.47Å; T242-S245 PolarHBondContact O-N 3.15Å; T242-S245 VanDerWaalsContact O-N 3.11Å; T242-S245 WeakPolarHBondContact OG1-CB 3.3Å; T242-S245 PolarHBondContact OG1-N 3.09Å; T242-S245 PolarHBondContact OG1-OG 2.68Å; S245-L247 PolarHBondContact O-N 2.98Å; S245-N248 WeakPolarHBondContact O-CB 3.33Å; S245-N248 PolarHBondContact O-N 3.02Å; S245-L249 PolarHBondContact O-N 2.89Å; S245-L249 VanDerWaalsContact O-N 3.14Å
246	L	95.5	Very high	93.4	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-44.5	174.5	-66.6	178.9	0	0	0	111.8	F117 L142 T146 L225 L230 L240 T242 P243 N248 L249 I250	F117-L246 HydrophobicContact CE1-CD1 4.21Å; F117-L246 HydrophobicContact CZ-CD1 4.27Å; L142-L246 HydrophobicContact CD2-CD2 4.46Å; T146-L246 HydrophobicContact CG2-CB 4.26Å; T146-L246 HydrophobicContact CG2-CD2 3.88Å; L225-L246 HydrophobicContact CD1-CD1 3.89Å; L230-L246 HydrophobicContact CD1-CD1 4.19Å; L230-L246 HydrophobicContact CD2-CD1 3.71Å; L230-L246 HydrophobicContact CD2-CG 4.33Å; L240-L246 HydrophobicContact CB-CD2 4.31Å; L240-L246 HydrophobicContact CD2-CD2 3.62Å; T242-L246 PolarHBondContact O-N 2.96Å; P243-L246 PolarHBondContact O-N 3Å; L246-N248 VanDerWaalsContact C-N 3.3Å; L246-N248 PolarHBondContact O-N 3.25Å; L246-L249 PolarHBondContact O-N 3.26Å; L246-I250 WeakPolarHBondContact O-CG1 3.47Å; L246-I250 PolarHBondContact O-N 3.45Å
247	L	95.3	Very high	93.8	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-40	177.1	-178.3	66.3	0	0	0	111.4	E218 L221 P243 E244 S245 L249 I250 I251	E218-L247 HydrophobicContact CB-CD1 4.25Å; E218-L247 HydrophobicContact CB-CD2 3.6Å; E218-L247 VanDerWaalsContact CD-CD2 3.47Å; E218-L247 HydrophobicContact CG-CD2 3.42Å; E218-L247 VanDerWaalsContact CG-CD2 3.42Å; L221-L247 HydrophobicContact CD1-CD1 4.15Å; P243-L247 WeakPolarHBondContact O-CB 3.36Å; P243-L247 PolarHBondContact O-N 3.22Å; E244-L247 PolarHBondContact O-N 2.72Å; S245-L247 PolarHBondContact O-N 2.98Å; L247-L249 VanDerWaalsContact C-N 3.3Å; L247-L249 PolarHBondContact O-N 2.9Å; L247-I250 PolarHBondContact O-N 3.37Å; L247-I250 VanDerWaalsContact O-N 3.17Å; L247-I251 HydrophobicContact CD1-CG1 4.14Å; L247-I251 HydrophobicContact CG-CG1 4.18Å; L247-I251 WeakPolarHBondContact O-CB 3.36Å; L247-I251 VanDerWaalsContact O-CG1 3.27Å; L247-I251 WeakPolarHBondContact O-CG1 3.35Å; L247-I251 PolarHBondContact O-N 2.95Å
248	N	95.7	Very high	93.8	Very high	96 Å²	96	44.1 Å²	44.1	51%	0.513	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-39.3	176.6	-71.4	-29.4	0	0	0	112	E244 S245 L246 I251 K252	E244-N248 VanDerWaalsContact O-CG 3.22Å; E244-N248 PolarHBondContact O-N 3.16Å; E244-N248 PolarHBondContact O-ND2 2.76Å; S245-N248 WeakPolarHBondContact O-CB 3.33Å; S245-N248 PolarHBondContact O-N 3.02Å; L246-N248 VanDerWaalsContact C-N 3.3Å; L246-N248 PolarHBondContact O-N 3.25Å; N248-I251 PolarHBondContact O-N 3.34Å; N248-K252 WeakPolarHBondContact O-CB 3.35Å; N248-K252 PolarHBondContact O-N 3.17Å
249	L	96.6	Very high	93.3	Very high	35 Å²	35	41 Å²	41	18%	0.183	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-41.2	173.2	-68.9	174.7	0	0	0	112.3	T146 D239 L240 S245 L246 L247 K252 S253	T146-L249 HydrophobicContact CG2-CB 4.4Å; D239-L249 WeakPolarHBondContact O-CD1 3.34Å; L240-L249 HydrophobicContact CD2-CD1 3.31Å; L240-L249 HydrophobicContact CG-CD1 4.39Å; S245-L249 PolarHBondContact O-N 2.89Å; S245-L249 VanDerWaalsContact O-N 3.14Å; L246-L249 PolarHBondContact O-N 3.26Å; L247-L249 VanDerWaalsContact C-N 3.3Å; L247-L249 PolarHBondContact O-N 2.9Å; L249-K252 PolarHBondContact O-N 3.16Å; L249-S253 PolarHBondContact O-N 2.86Å
250	I	97.4	Very high	92.1	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-45	175.7	-66.9	169.3	0	0	0	110.4	T146 L149 G150 L153 F217 L221 L246 L247 S253 Y254	T146-I250 HydrophobicContact CG2-CD1 4.19Å; T146-I250 HydrophobicContact CG2-CG1 3.81Å; L149-I250 HydrophobicContact CB-CD1 4.3Å; L149-I250 HydrophobicContact CB-CG1 4.24Å; L149-I250 HydrophobicContact CB-CG2 4.37Å; L149-I250 HydrophobicContact CD1-CD1 3.91Å; G150-I250 WeakPolarHBondContact CA-O 3.3Å; L153-I250 HydrophobicContact CD1-CG2 3.85Å; F217-I250 HydrophobicContact CE1-CD1 3.95Å; F217-I250 HydrophobicContact CE1-CG2 4.33Å; F217-I250 HydrophobicContact CZ-CD1 4.43Å; L221-I250 HydrophobicContact CD1-CD1 3.9Å; L246-I250 WeakPolarHBondContact O-CG1 3.47Å; L246-I250 PolarHBondContact O-N 3.45Å; L247-I250 PolarHBondContact O-N 3.37Å; L247-I250 VanDerWaalsContact O-N 3.17Å; I250-S253 PolarHBondContact O-N 2.95Å; I250-Y254 VanDerWaalsContact O-CB 3.27Å; I250-Y254 WeakPolarHBondContact O-CB 3.22Å; I250-Y254 PolarHBondContact O-N 3.34Å
251	I	96.8	Very high	90.4	Very high	27 Å²	27	43 Å²	43	14%	0.138	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-35.9	178.8	-67	-63.9	0	0	0	111.5	L214 L247 N248 Y254 R255 L292 L295	L214-I251 HydrophobicContact CD1-CD1 4.17Å; L214-I251 HydrophobicContact CD2-CD1 4.49Å; L247-I251 HydrophobicContact CD1-CG1 4.14Å; L247-I251 HydrophobicContact CG-CG1 4.18Å; L247-I251 WeakPolarHBondContact O-CB 3.36Å; L247-I251 VanDerWaalsContact O-CG1 3.27Å; L247-I251 WeakPolarHBondContact O-CG1 3.35Å; L247-I251 PolarHBondContact O-N 2.95Å; N248-I251 PolarHBondContact O-N 3.34Å; I251-Y254 WeakPolarHBondContact O-CB 3.45Å; I251-Y254 PolarHBondContact O-N 2.93Å; I251-R255 PolarHBondContact O-N 3.33Å; I251-L292 HydrophobicContact CD1-CD2 4.4Å; I251-L292 HydrophobicContact CG2-CD1 4.4Å; I251-L292 HydrophobicContact CG2-CD2 3.79Å; I251-L295 HydrophobicContact CD1-CD2 4.16Å
252	K	95.8	Very high	88.5	Confident	131 Å²	131	43.5 Å²	43.5	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-60.7	-53.3	171.2	-176.6	-176.6	175.7	-173.8	0	110.7	N248 L249 Y254 R255 D256	N248-K252 WeakPolarHBondContact O-CB 3.35Å; N248-K252 PolarHBondContact O-N 3.17Å; L249-K252 PolarHBondContact O-N 3.16Å; K252-Y254 VanDerWaalsContact C-N 3.28Å; K252-Y254 PolarHBondContact O-N 3.36Å; K252-R255 WeakPolarHBondContact O-CB 3.47Å; K252-R255 PolarHBondContact O-N 3.11Å; K252-R255 VanDerWaalsContact O-N 3.15Å; K252-D256 VanDerWaalsContact O-CG 3.22Å; K252-D256 PolarHBondContact O-N 3.38Å
253	S	96	Very high	86.1	Confident	7 Å²	7	46 Å²	46	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-38.3	176.6	176.3	0	0	0	0	112.2	T147 L249 I250 R255 D256 N257	T147-S253 PolarHBondContact O-OG 3.11Å; L249-S253 PolarHBondContact O-N 2.86Å; I250-S253 PolarHBondContact O-N 2.95Å; S253-R255 PolarHBondContact O-N 3.13Å; S253-D256 PolarHBondContact O-N 2.87Å; S253-N257 WeakPolarHBondContact O-CB 3.5Å; S253-N257 PolarHBondContact O-N 2.85Å; S253-N257 PolarHBondContact O-ND2 3.46Å; S253-N257 PolarHBondContact OG-ND2 3.2Å
254	Y	97.1	Very high	83.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-50.1	174.5	173.9	-93.1	0	0	0	111.1	G150 L153 A154 H157 L214 I250 I251 K252 D256 N257 Y258 V288	G150-Y254 WeakPolarHBondContact O-CA 3.34Å; L153-Y254 VanDerWaalsContact C-CE2 3.49Å; L153-Y254 HydrophobicContact CB-CD2 3.68Å; L153-Y254 HydrophobicContact CB-CE2 4.09Å; L153-Y254 WeakPolarHBondContact O-CE2 2.94Å; A154-Y254 HydrophobicContact CB-CD2 3.89Å; A154-Y254 HydrophobicContact CB-CE2 4.29Å; A154-Y254 HydrophobicContact CB-CG 4.46Å; A154-Y254 WeakPolarHBondContact CB-O 3.19Å; A154-Y254 VanDerWaalsContact N-CD2 3.29Å; H157-Y254 HydrophobicContact CB-CE2 4.07Å; H157-Y254 VanDerWaalsContact CB-OH 3.24Å; H157-Y254 WeakPolarHBondContact CB-OH 3.26Å; H157-Y254 AromaticContact ND1-CE2 3.63Å; H157-Y254 AromaticContact ND1-CZ 3.73Å; H157-Y254 PolarHBondContact ND1-OH 3.22Å; H157-Y254 VanDerWaalsContact ND1-OH 3.1Å; L214-Y254 HydrophobicContact CD1-CE1 4.35Å; L214-Y254 HydrophobicContact CD2-CE2 4.4Å; I250-Y254 VanDerWaalsContact O-CB 3.27Å; I250-Y254 WeakPolarHBondContact O-CB 3.22Å; I250-Y254 PolarHBondContact O-N 3.34Å; I251-Y254 WeakPolarHBondContact O-CB 3.45Å; I251-Y254 PolarHBondContact O-N 2.93Å; K252-Y254 VanDerWaalsContact C-N 3.28Å; K252-Y254 PolarHBondContact O-N 3.36Å; Y254-D256 PolarHBondContact O-N 3.41Å; Y254-N257 PolarHBondContact O-N 3.4Å; Y254-Y258 HydrophobicContact CE1-CD2 4.01Å; Y254-Y258 HydrophobicContact CE1-CE2 4.46Å; Y254-Y258 HydrophobicContact CE2-CD2 4.15Å; Y254-Y258 AromaticContact CZ-CD2 3.67Å; Y254-Y258 AromaticContact CZ-CE2 3.87Å; Y254-Y258 WeakPolarHBondContact O-CB 3.38Å; Y254-Y258 PolarHBondContact O-N 3.17Å; Y254-Y258 VanDerWaalsContact OH-CE2 3.3Å; Y254-Y258 WeakPolarHBondContact OH-CE2 3.23Å; Y254-V288 HydrophobicContact CE1-CG1 4.4Å
255	R	95	Very high	81.4	Confident	161 Å²	161	54.3 Å²	54.3	61%	0.608	28%	0.28	S	S	*	.	H	α-helix	trans	-60	-47.3	177.2	179.8	178	-176.8	-173.1	-1.7	111.7	I251 K252 S253 N257 Y258 V288	I251-R255 PolarHBondContact O-N 3.33Å; K252-R255 WeakPolarHBondContact O-CB 3.47Å; K252-R255 PolarHBondContact O-N 3.11Å; K252-R255 VanDerWaalsContact O-N 3.15Å; S253-R255 PolarHBondContact O-N 3.13Å; R255-N257 VanDerWaalsContact C-N 3.31Å; R255-N257 PolarHBondContact O-N 2.83Å; R255-Y258 PolarHBondContact O-N 3.15Å; R255-V288 HydrophobicContact CB-CG1 4.28Å; R255-V288 HydrophobicContact CG-CG1 4.09Å
256	D	93.3	Very high	78.8	Confident	92 Å²	92	59.8 Å²	59.8	49%	0.492	30%	0.303	S	S	.	.	H	α-helix	trans	-66.4	-32.5	-175.5	-62.9	-16.4	0	0	0	112.3	K252 S253 Y254	K252-D256 VanDerWaalsContact O-CG 3.22Å; K252-D256 PolarHBondContact O-N 3.38Å; S253-D256 PolarHBondContact O-N 2.87Å; Y254-D256 PolarHBondContact O-N 3.41Å
257	N	92.8	Very high	76	Confident	28 Å²	28	68 Å²	68	15%	0.15	34%	0.341	C	S	.	.	H	α-helix	trans	-95.4	-11.8	-178	-69.8	-92.5	0	0	0	113.9	R151 A154 S253 Y254 R255 V259 S260 T261	R151-N257 HydrophobicContact CB-CB 4.34Å; R151-N257 HydrophobicContact CG-CB 4.24Å; R151-N257 PolarHBondContact NE-OD1 2.88Å; A154-N257 HydrophobicContact CB-CB 4Å; S253-N257 WeakPolarHBondContact O-CB 3.5Å; S253-N257 PolarHBondContact O-N 2.85Å; S253-N257 PolarHBondContact O-ND2 3.46Å; S253-N257 PolarHBondContact OG-ND2 3.2Å; Y254-N257 PolarHBondContact O-N 3.4Å; R255-N257 VanDerWaalsContact C-N 3.31Å; R255-N257 PolarHBondContact O-N 2.83Å; N257-V259 VanDerWaalsContact C-N 3.28Å; N257-V259 PolarHBondContact O-N 2.96Å; N257-S260 PolarHBondContact O-N 3.45Å; N257-T261 PolarHBondContact O-N 2.68Å; N257-T261 PolarHBondContact O-OG1 3.13Å
258	Y	91.3	Very high	73.2	Confident	1 Å²	1	75.3 Å²	75.3	0%	0.004	38%	0.379	C	S	.	.	H	α-helix	trans	-62.9	-37.8	-178.5	-162	-85.9	0	0	0	112.4	A154 H157 K210 Y254 R255 E287 V288 I291	A154-Y258 HydrophobicContact CB-CD2 4.4Å; H157-Y258 HydrophobicContact CB-CE2 3.86Å; H157-Y258 PolarHBondContact O-OH 3.29Å; K210-Y258 PolarHBondContact NZ-OH 3.31Å; Y254-Y258 HydrophobicContact CE1-CD2 4.01Å; Y254-Y258 HydrophobicContact CE1-CE2 4.46Å; Y254-Y258 HydrophobicContact CE2-CD2 4.15Å; Y254-Y258 AromaticContact CZ-CD2 3.67Å; Y254-Y258 AromaticContact CZ-CE2 3.87Å; Y254-Y258 WeakPolarHBondContact O-CB 3.38Å; Y254-Y258 PolarHBondContact O-N 3.17Å; Y254-Y258 VanDerWaalsContact OH-CE2 3.3Å; Y254-Y258 WeakPolarHBondContact OH-CE2 3.23Å; R255-Y258 PolarHBondContact O-N 3.15Å; Y258-E287 WeakPolarHBondContact CE1-OE2 3.21Å; Y258-E287 PolarHBondContact OH-OE1 3.41Å; Y258-E287 PolarHBondContact OH-OE2 2.66Å; Y258-V288 VanDerWaalsContact CB-CG2 3.49Å; Y258-V288 HydrophobicContact CD1-CG2 3.14Å; Y258-V288 HydrophobicContact CD2-CG2 3.83Å; Y258-V288 HydrophobicContact CE1-CG2 3.72Å; Y258-V288 HydrophobicContact CE2-CG2 4.33Å; Y258-V288 HydrophobicContact CG-CG2 3.2Å; Y258-I291 HydrophobicContact CE2-CD1 4.03Å
259	V	77.2	Confident	70	Confident	26 Å²	26	79.8 Å²	79.8	16%	0.158	39%	0.393	C	S	.	.	H	α-helix	trans	-76.3	-43.9	-179.2	178.1	0	0	0	0	111.5	N257 T261 L281 Q284 E285	N257-V259 VanDerWaalsContact C-N 3.28Å; N257-V259 PolarHBondContact O-N 2.96Å; V259-T261 VanDerWaalsContact C-N 3.29Å; V259-T261 PolarHBondContact O-N 3.33Å; V259-L281 HydrophobicContact CG1-CD2 3.23Å; V259-Q284 HydrophobicContact CG2-CB 4.39Å; V259-Q284 PolarHBondContact O-OE1 2.83Å; V259-E285 HydrophobicContact CG2-CG 4.31Å
260	S	67	Low	66.7	Low	69 Å²	69	83.9 Å²	83.9	48%	0.483	42%	0.422	S	S	.	.	H	α-helix	trans	-69.4	-24	-172.3	-59	0	0	0	0	113.9	N257 M262 L263	N257-S260 PolarHBondContact O-N 3.45Å; S260-M262 VanDerWaalsContact C-N 3.35Å; S260-M262 PolarHBondContact O-N 2.76Å; S260-L263 PolarHBondContact O-N 3.45Å
261	T	56	Low	63.4	Low	27 Å²	27	93.7 Å²	93.7	17%	0.166	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-67.7	-30.5	-169.1	-59.9	0	0	0	0	113.7	Q155 N257 V259	Q155-T261 HydrophobicContact CB-CG2 4.14Å; Q155-T261 HydrophobicContact CG-CG2 3.61Å; N257-T261 PolarHBondContact O-N 2.68Å; N257-T261 PolarHBondContact O-OG1 3.13Å; V259-T261 VanDerWaalsContact C-N 3.29Å; V259-T261 PolarHBondContact O-N 3.33Å
262	M	50	Low	60.4	Low	53 Å²	53	100.9 Å²	100.9	26%	0.261	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-82	-15.3	-175.5	-68.2	-109.1	106.9	0	0	113.8	N159 S260 N264 D265	N159-M262 WeakPolarHBondContact OD1-CE 3.4Å; S260-M262 VanDerWaalsContact C-N 3.35Å; S260-M262 PolarHBondContact O-N 2.76Å; M262-N264 VanDerWaalsContact C-N 3.26Å; M262-N264 PolarHBondContact O-N 2.72Å; M262-D265 PolarHBondContact O-N 2.88Å
263	L	41.9	Very low	57.6	Low	96 Å²	96	99.9 Å²	99.9	50%	0.503	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-70.7	-20.5	-174.2	-75.1	166.9	0	0	0	113.5	S260 D265 Q266	S260-L263 PolarHBondContact O-N 3.45Å; L263-D265 PolarHBondContact O-N 3.41Å; L263-Q266 PolarHBondContact O-N 2.95Å
264	N	41.5	Very low	54.9	Low	136 Å²	136	107.7 Å²	107.7	73%	0.727	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-71.7	-15.9	178.5	-78.9	-10.9	0	0	0	113.8	M262	M262-N264 VanDerWaalsContact C-N 3.26Å; M262-N264 PolarHBondContact O-N 2.72Å
265	D	44.2	Very low	52.5	Low	121 Å²	121	113.7 Å²	113.7	65%	0.647	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-83.7	-9.9	178.5	-90.6	-13.2	0	0	0	114.1	M262 L263	M262-D265 PolarHBondContact O-N 2.88Å; L263-D265 PolarHBondContact O-N 3.41Å
266	Q	38.3	Very low	50.2	Low	136 Å²	136	114 Å²	114	64%	0.636	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-92.7	1.2	-176.4	-68.6	-162.5	-8.5	0	0	115.4	L263 I268	L263-Q266 PolarHBondContact O-N 2.95Å; Q266-I268 PolarHBondContact O-N 3.38Å
267	Q	36.9	Very low	48.1	Very low	175 Å²	175	112.8 Å²	112.8	82%	0.818	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-78	7.2	179.1	-69.9	-163.7	2.4	0	0	115.3
268	I	37.7	Very low	46.4	Very low	163 Å²	163	113.7 Å²	113.7	84%	0.836	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-108.4	6.3	177.1	-57.4	178.5	0	0	0	113.5	Q266	Q266-I268 PolarHBondContact O-N 3.38Å
269	K	27.5	Very low	45.1	Very low	189 Å²	189	116 Å²	116	82%	0.822	62%	0.621	S	S	*	*	S	Bend	trans	-124	135.4	172.1	-84.6	-177	176.6	177.3	0	113.7
270	P	27.6	Very low	44.7	Very low	122 Å²	122	119 Å²	119	79%	0.792	63%	0.634	S	S	*	*			trans	-71.5	144.7	-177.4	31.2	-33.1	0	0	0	110.7	H272	P270-H272 PolarHBondContact O-N 2.98Å
271	K	28.9	Very low	45.1	Very low	207 Å²	207	119.3 Å²	119.3	90%	0.9	63%	0.629	S	S	*	*			trans	-32.8	112.6	176.8	-65	173.1	176.3	177	0	113.7
272	H	33.2	Very low	46.2	Very low	179 Å²	179	123.9 Å²	123.9	83%	0.829	65%	0.649	S	S	*	*			trans	-150.7	125.9	149.4	-109.7	-75.2	0	0	0	110.1	P270	P270-H272 PolarHBondContact O-N 2.98Å
273	D	35.6	Very low	47.7	Very low	110 Å²	110	128.7 Å²	128.7	59%	0.588	67%	0.668	S	S	*	*			trans	72.2	96.9	170.7	-64.1	-8.9	0	0	0	120.3	T275	D273-T275 PolarHBondContact O-N 3.44Å
274	N	39.6	Very low	49.5	Very low	171 Å²	171	124.8 Å²	124.8	91%	0.914	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	4.3	171.5	-95.8	-6.3	0	0	0	115.4
275	T	46.7	Very low	51.6	Low	125 Å²	125	124.1 Å²	124.1	77%	0.767	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-9.1	-175.4	46.7	0	0	0	0	114.5	D273	D273-T275 PolarHBondContact O-N 3.44Å
276	K	47.2	Very low	53.7	Low	167 Å²	167	122.6 Å²	122.6	73%	0.726	63%	0.632	S	S	*	*	S	Bend	trans	-93.8	-7.5	-179.6	-72.7	-177.4	179.3	173	0	115.2
277	S	50	Low	56.2	Low	67 Å²	67	118.2 Å²	118.2	47%	0.469	61%	0.611	S	S	.	*	H	α-helix	trans	-71.2	-36.1	-173.4	-155.7	0	0	0	0	113.1	G279 H280 L281	S277-G279 PolarHBondContact O-N 3.02Å; S277-H280 PolarHBondContact O-N 2.97Å; S277-L281 PolarHBondContact O-N 2.62Å
278	G	57	Low	58.9	Low	48 Å²	48	110.1 Å²	110.1	50%	0.495	57%	0.574	S	S	.	*	H	α-helix	trans	-62.7	-41.8	-178.4	0	0	0	0	0	114.1	H280 L281 E282	G278-H280 VanDerWaalsContact C-N 3.29Å; G278-H280 PolarHBondContact O-N 3.49Å; G278-L281 PolarHBondContact O-N 2.77Å; G278-E282 PolarHBondContact O-N 2.93Å
279	G	63.7	Low	61.5	Low	50 Å²	50	108.8 Å²	108.8	52%	0.515	56%	0.562	S	S	.	*	H	α-helix	trans	-69.5	-25	-179.3	0	0	0	0	0	113.9	S277 K283	S277-G279 PolarHBondContact O-N 3.02Å; G279-K283 WeakPolarHBondContact O-CB 3.48Å; G279-K283 PolarHBondContact O-N 3.42Å
280	H	69.2	Low	64.6	Low	89 Å²	89	102.9 Å²	102.9	41%	0.412	54%	0.537	S	S	.	.	H	α-helix	trans	-75.3	-41.2	177.7	-163.9	32.6	0	0	0	111.9	S277 G278 K283 Q284	S277-H280 PolarHBondContact O-N 2.97Å; G278-H280 VanDerWaalsContact C-N 3.29Å; G278-H280 PolarHBondContact O-N 3.49Å; H280-K283 PolarHBondContact O-N 2.64Å; H280-Q284 PolarHBondContact NE2-NE2 3.47Å; H280-Q284 WeakPolarHBondContact O-CG 3.48Å; H280-Q284 PolarHBondContact O-N 2.85Å; H280-Q284 VanDerWaalsContact O-N 3.08Å
281	L	74.3	Confident	67.9	Low	74 Å²	74	97.1 Å²	97.1	39%	0.387	50%	0.5	S	S	.	.	H	α-helix	trans	-59.1	-50.2	174.6	-71	161.2	0	0	0	111	V259 S277 G278 K283 Q284 E285	V259-L281 HydrophobicContact CG1-CD2 3.23Å; S277-L281 PolarHBondContact O-N 2.62Å; G278-L281 PolarHBondContact O-N 2.77Å; L281-K283 VanDerWaalsContact C-N 3.31Å; L281-K283 PolarHBondContact O-N 2.86Å; L281-Q284 PolarHBondContact O-N 2.94Å; L281-Q284 VanDerWaalsContact O-N 3.14Å; L281-E285 PolarHBondContact O-N 3.41Å
282	E	79.8	Confident	71	Confident	123 Å²	123	89 Å²	89	58%	0.575	47%	0.466	S	S	*	.	H	α-helix	trans	-62.1	-38.6	179.8	-169.1	177.7	-173.9	0	0	112.1	G278 Q284 N286	G278-E282 PolarHBondContact O-N 2.93Å; E282-Q284 PolarHBondContact O-N 3.31Å; E282-N286 WeakPolarHBondContact O-CB 3.38Å; E282-N286 VanDerWaalsContact O-CG 3.25Å; E282-N286 PolarHBondContact O-N 3.08Å; E282-N286 PolarHBondContact O-ND2 3.23Å
283	K	81.6	Confident	74	Confident	154 Å²	154	85 Å²	85	67%	0.67	45%	0.451	S	S	*	.	H	α-helix	trans	-63.5	-40.8	175.3	-172.4	179	178.9	-176.7	0	112.1	G279 H280 L281 N286 E287	G279-K283 WeakPolarHBondContact O-CB 3.48Å; G279-K283 PolarHBondContact O-N 3.42Å; H280-K283 PolarHBondContact O-N 2.64Å; L281-K283 VanDerWaalsContact C-N 3.31Å; L281-K283 PolarHBondContact O-N 2.86Å; K283-N286 PolarHBondContact O-N 3.32Å; K283-E287 PolarHBondContact O-N 2.93Å
284	Q	78.7	Confident	76.8	Confident	14 Å²	14	81.7 Å²	81.7	7%	0.065	43%	0.431	C	S	.	.	H	α-helix	trans	-71.5	-40.2	179.4	-73.8	175.8	-12.9	0	0	112.1	V259 H280 L281 E282 N286 E287 V288	V259-Q284 HydrophobicContact CG2-CB 4.39Å; V259-Q284 PolarHBondContact O-OE1 2.83Å; H280-Q284 PolarHBondContact NE2-NE2 3.47Å; H280-Q284 WeakPolarHBondContact O-CG 3.48Å; H280-Q284 PolarHBondContact O-N 2.85Å; H280-Q284 VanDerWaalsContact O-N 3.08Å; L281-Q284 PolarHBondContact O-N 2.94Å; L281-Q284 VanDerWaalsContact O-N 3.14Å; E282-Q284 PolarHBondContact O-N 3.31Å; Q284-N286 VanDerWaalsContact C-N 3.28Å; Q284-N286 PolarHBondContact O-N 2.97Å; Q284-E287 WeakPolarHBondContact O-CB 3.4Å; Q284-E287 PolarHBondContact O-N 2.93Å; Q284-E287 VanDerWaalsContact O-N 3.14Å; Q284-V288 WeakPolarHBondContact O-CG2 3.29Å; Q284-V288 PolarHBondContact O-N 2.83Å
285	E	86.1	Confident	79.5	Confident	123 Å²	123	73.7 Å²	73.7	58%	0.575	39%	0.388	S	S	*	.	H	α-helix	trans	-60.2	-41.2	173.2	-73.4	-169.5	160.2	0	0	111.6	V259 L281 E287 V288 K289	V259-E285 HydrophobicContact CG2-CG 4.31Å; L281-E285 PolarHBondContact O-N 3.41Å; E285-E287 VanDerWaalsContact C-N 3.34Å; E285-V288 PolarHBondContact O-N 2.78Å; E285-K289 WeakPolarHBondContact O-CB 3.48Å; E285-K289 PolarHBondContact O-N 2.77Å
286	N	88.3	Confident	81.8	Confident	89 Å²	89	71.4 Å²	71.4	48%	0.476	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-40	174	-75.6	-36.4	0	0	0	112	E282 K283 Q284 K289 E290	E282-N286 WeakPolarHBondContact O-CB 3.38Å; E282-N286 VanDerWaalsContact O-CG 3.25Å; E282-N286 PolarHBondContact O-N 3.08Å; E282-N286 PolarHBondContact O-ND2 3.23Å; K283-N286 PolarHBondContact O-N 3.32Å; Q284-N286 VanDerWaalsContact C-N 3.28Å; Q284-N286 PolarHBondContact O-N 2.97Å; N286-K289 PolarHBondContact O-N 3.47Å; N286-E290 WeakPolarHBondContact O-CB 3.38Å; N286-E290 PolarHBondContact O-N 3.32Å
287	E	90.5	Very high	84.1	Confident	44 Å²	44	66.7 Å²	66.7	21%	0.206	35%	0.352	C	S	.	.	H	α-helix	trans	-63.4	-46.6	176.5	-165.1	-173.3	-173.3	0	0	111.6	H160 K210 Y258 K283 Q284 E285 K289 E290 I291	H160-E287 IonicContact CE1-OE1 2.76Å; K210-E287 IonicContact NZ-OE1 2.68Å; K210-E287 PolarHBondContact NZ-OE1 2.87Å; Y258-E287 WeakPolarHBondContact CE1-OE2 3.21Å; Y258-E287 PolarHBondContact OH-OE1 3.41Å; Y258-E287 PolarHBondContact OH-OE2 2.66Å; K283-E287 PolarHBondContact O-N 2.93Å; Q284-E287 WeakPolarHBondContact O-CB 3.4Å; Q284-E287 PolarHBondContact O-N 2.93Å; Q284-E287 VanDerWaalsContact O-N 3.14Å; E285-E287 VanDerWaalsContact C-N 3.34Å; E287-K289 VanDerWaalsContact C-N 3.3Å; E287-K289 PolarHBondContact O-N 3.3Å; E287-E290 PolarHBondContact O-N 2.98Å; E287-I291 HydrophobicContact CG-CD1 4.04Å; E287-I291 WeakPolarHBondContact O-CD1 3.46Å; E287-I291 VanDerWaalsContact O-CG1 3.24Å; E287-I291 WeakPolarHBondContact O-CG1 3.18Å; E287-I291 PolarHBondContact O-N 2.89Å
288	V	92.7	Very high	86.1	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.03	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-44.4	175.8	176.6	0	0	0	0	110.8	Y254 R255 Y258 Q284 E285 E290 I291 L292	Y254-V288 HydrophobicContact CE1-CG1 4.4Å; R255-V288 HydrophobicContact CB-CG1 4.28Å; R255-V288 HydrophobicContact CG-CG1 4.09Å; Y258-V288 VanDerWaalsContact CB-CG2 3.49Å; Y258-V288 HydrophobicContact CD1-CG2 3.14Å; Y258-V288 HydrophobicContact CD2-CG2 3.83Å; Y258-V288 HydrophobicContact CE1-CG2 3.72Å; Y258-V288 HydrophobicContact CE2-CG2 4.33Å; Y258-V288 HydrophobicContact CG-CG2 3.2Å; Q284-V288 WeakPolarHBondContact O-CG2 3.29Å; Q284-V288 PolarHBondContact O-N 2.83Å; E285-V288 PolarHBondContact O-N 2.78Å; V288-E290 VanDerWaalsContact C-N 3.3Å; V288-E290 PolarHBondContact O-N 2.88Å; V288-I291 PolarHBondContact O-N 2.84Å; V288-L292 HydrophobicContact CG1-CD1 3.9Å; V288-L292 HydrophobicContact CG1-CG 4.24Å; V288-L292 WeakPolarHBondContact O-CG 3.24Å; V288-L292 PolarHBondContact O-N 3.34Å
289	K	93	Very high	87.8	Confident	134 Å²	134	63.6 Å²	63.6	58%	0.583	32%	0.316	S	S	*	.	H	α-helix	trans	-61.1	-41.3	178.1	-169.9	178.2	-178.9	-179	0	111.4	E285 N286 E287 L292 N293	E285-K289 WeakPolarHBondContact O-CB 3.48Å; E285-K289 PolarHBondContact O-N 2.77Å; N286-K289 PolarHBondContact O-N 3.47Å; E287-K289 VanDerWaalsContact C-N 3.3Å; E287-K289 PolarHBondContact O-N 3.3Å; K289-L292 PolarHBondContact O-N 3.27Å; K289-N293 WeakPolarHBondContact O-CB 3.29Å; K289-N293 PolarHBondContact O-N 2.83Å; K289-N293 PolarHBondContact O-ND2 2.86Å
290	E	93.9	Very high	89.1	Confident	66 Å²	66	65.7 Å²	65.7	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-46	175.4	-169.1	178.7	-179.8	0	0	111.8	Q204 A207 N286 E287 V288 L292 N293 K294	Q204-E290 WeakPolarHBondContact CA-OE1 3.42Å; A207-E290 HydrophobicContact CB-CB 4.45Å; A207-E290 HydrophobicContact CB-CG 3.84Å; N286-E290 WeakPolarHBondContact O-CB 3.38Å; N286-E290 PolarHBondContact O-N 3.32Å; E287-E290 PolarHBondContact O-N 2.98Å; V288-E290 VanDerWaalsContact C-N 3.3Å; V288-E290 PolarHBondContact O-N 2.88Å; E290-L292 PolarHBondContact O-N 2.94Å; E290-N293 PolarHBondContact O-N 3.43Å; E290-K294 WeakPolarHBondContact O-CG 3.4Å; E290-K294 PolarHBondContact O-N 2.88Å
291	I	95.3	Very high	89.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-46.2	177.2	-65.7	157.7	0	0	0	110.9	A207 K210 L214 Y258 E287 V288 K294 L295	A207-I291 HydrophobicContact CB-CG1 4.11Å; K210-I291 HydrophobicContact CB-CD1 4.48Å; K210-I291 HydrophobicContact CB-CG1 4.2Å; K210-I291 HydrophobicContact CB-CG2 3.93Å; K210-I291 HydrophobicContact CD-CD1 3.44Å; K210-I291 VanDerWaalsContact CD-CD1 3.44Å; K210-I291 HydrophobicContact CD-CG1 3.79Å; L214-I291 HydrophobicContact CD1-CG2 4.04Å; Y258-I291 HydrophobicContact CE2-CD1 4.03Å; E287-I291 HydrophobicContact CG-CD1 4.04Å; E287-I291 WeakPolarHBondContact O-CD1 3.46Å; E287-I291 VanDerWaalsContact O-CG1 3.24Å; E287-I291 WeakPolarHBondContact O-CG1 3.18Å; E287-I291 PolarHBondContact O-N 2.89Å; V288-I291 PolarHBondContact O-N 2.84Å; I291-K294 CarbonylContact O-C 3.39Å; I291-K294 PolarHBondContact O-N 2.87Å; I291-L295 PolarHBondContact O-N 2.84Å
292	L	95.5	Very high	90.1	Very high	37 Å²	37	63.9 Å²	63.9	19%	0.194	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-35.7	-178.9	-65.8	179.3	0	0	0	112.4	I251 V288 K289 E290 K294 L295 E296	I251-L292 HydrophobicContact CD1-CD2 4.4Å; I251-L292 HydrophobicContact CG2-CD1 4.4Å; I251-L292 HydrophobicContact CG2-CD2 3.79Å; V288-L292 HydrophobicContact CG1-CD1 3.9Å; V288-L292 HydrophobicContact CG1-CG 4.24Å; V288-L292 WeakPolarHBondContact O-CG 3.24Å; V288-L292 PolarHBondContact O-N 3.34Å; K289-L292 PolarHBondContact O-N 3.27Å; E290-L292 PolarHBondContact O-N 2.94Å; L292-K294 VanDerWaalsContact C-N 3.31Å; L292-K294 PolarHBondContact O-N 2.86Å; L292-L295 HydrophobicContact CD2-CD2 4.37Å; L292-L295 WeakPolarHBondContact O-CB 3.39Å; L292-L295 PolarHBondContact O-N 2.82Å; L292-E296 PolarHBondContact O-N 3.25Å
293	N	95.6	Very high	89.7	Confident	95 Å²	95	64.5 Å²	64.5	51%	0.508	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-42.1	170.9	-72.1	-19.7	0	0	0	111	K289 E290 L295 E296 D297	K289-N293 WeakPolarHBondContact O-CB 3.29Å; K289-N293 PolarHBondContact O-N 2.83Å; K289-N293 PolarHBondContact O-ND2 2.86Å; E290-N293 PolarHBondContact O-N 3.43Å; N293-L295 VanDerWaalsContact C-N 3.3Å; N293-L295 PolarHBondContact O-N 3.35Å; N293-E296 PolarHBondContact O-N 3.31Å; N293-D297 PolarHBondContact O-N 2.96Å; N293-D297 VanDerWaalsContact O-N 3.09Å
294	K	95.1	Very high	88.8	Confident	40 Å²	40	64.3 Å²	64.3	17%	0.174	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-33.3	175	-73.2	-69.3	165.5	-152.1	0	112.7	A207 A211 E290 I291 L292 E296 D297 V298	A207-K294 HydrophobicContact CB-CG 4.28Å; A211-K294 HydrophobicContact CB-CB 3.56Å; E290-K294 WeakPolarHBondContact O-CG 3.4Å; E290-K294 PolarHBondContact O-N 2.88Å; I291-K294 CarbonylContact O-C 3.39Å; I291-K294 PolarHBondContact O-N 2.87Å; L292-K294 VanDerWaalsContact C-N 3.31Å; L292-K294 PolarHBondContact O-N 2.86Å; K294-E296 VanDerWaalsContact C-N 3.31Å; K294-E296 PolarHBondContact O-N 2.79Å; K294-D297 IonicContact NZ-OD2 3.37Å; K294-D297 PolarHBondContact NZ-OD2 3.17Å; K294-D297 WeakPolarHBondContact O-CB 3.2Å; K294-D297 PolarHBondContact O-N 2.85Å; K294-V298 VanDerWaalsContact O-CG2 3.26Å; K294-V298 WeakPolarHBondContact O-CG2 3.38Å; K294-V298 PolarHBondContact O-N 2.79Å
295	L	95.6	Very high	87.8	Confident	3 Å²	3	73.5 Å²	73.5	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-42.2	173.6	178.4	60.1	0	0	0	111	A211 L214 I251 I291 L292 N293 V298 R299	A211-L295 HydrophobicContact CB-CB 4.24Å; A211-L295 WeakPolarHBondContact O-CD1 3.5Å; L214-L295 HydrophobicContact CB-CD1 4.03Å; L214-L295 HydrophobicContact CB-CD2 4.27Å; L214-L295 HydrophobicContact CD1-CD2 4.24Å; I251-L295 HydrophobicContact CD1-CD2 4.16Å; I291-L295 PolarHBondContact O-N 2.84Å; L292-L295 HydrophobicContact CD2-CD2 4.37Å; L292-L295 WeakPolarHBondContact O-CB 3.39Å; L292-L295 PolarHBondContact O-N 2.82Å; N293-L295 VanDerWaalsContact C-N 3.3Å; N293-L295 PolarHBondContact O-N 3.35Å; L295-V298 PolarHBondContact O-N 3.05Å; L295-R299 VanDerWaalsContact O-CG 3.31Å; L295-R299 WeakPolarHBondContact O-CG 3.39Å; L295-R299 PolarHBondContact O-N 3.03Å
296	E	95	Very high	86.4	Confident	78 Å²	78	73.8 Å²	73.8	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-42.6	173.9	-67.1	-54.9	145.3	0	0	112.6	L292 N293 K294 V298 R299 L300	L292-E296 PolarHBondContact O-N 3.25Å; N293-E296 PolarHBondContact O-N 3.31Å; K294-E296 VanDerWaalsContact C-N 3.31Å; K294-E296 PolarHBondContact O-N 2.79Å; E296-V298 VanDerWaalsContact C-N 3.28Å; E296-V298 PolarHBondContact O-N 2.79Å; E296-R299 WeakPolarHBondContact O-CB 3.06Å; E296-R299 PolarHBondContact O-N 2.97Å; E296-R299 IonicContact OE1-CZ 3.78Å; E296-R299 IonicContact OE1-NH1 2.99Å; E296-R299 PolarHBondContact OE1-NH1 3.38Å; E296-L300 WeakPolarHBondContact O-CG 3.35Å; E296-L300 PolarHBondContact O-N 3.49Å
297	D	94.2	Very high	84.7	Confident	68 Å²	68	77.6 Å²	77.6	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-57	-43.2	173.5	-70.8	-16.9	0	0	0	111.3	N293 K294 R301	N293-D297 PolarHBondContact O-N 2.96Å; N293-D297 VanDerWaalsContact O-N 3.09Å; K294-D297 IonicContact NZ-OD2 3.37Å; K294-D297 PolarHBondContact NZ-OD2 3.17Å; K294-D297 WeakPolarHBondContact O-CB 3.2Å; K294-D297 PolarHBondContact O-N 2.85Å; D297-R301 WeakPolarHBondContact O-CG 3.23Å; D297-R301 PolarHBondContact O-N 2.93Å; D297-R301 VanDerWaalsContact O-N 3.11Å; D297-R301 PolarHBondContact O-NE 2.91Å
298	V	93.1	Very high	82.8	Confident	12 Å²	12	82.7 Å²	82.7	7%	0.073	38%	0.382	C	S	.	.	H	α-helix	trans	-66.4	-44.3	177.3	177	0	0	0	0	110.8	A211 V212 Y215 K294 L295 E296 L300 R301 G302	A211-V298 HydrophobicContact CB-CG2 4.26Å; V212-V298 HydrophobicContact CG2-CG2 4.07Å; Y215-V298 HydrophobicContact CD1-CG1 3.58Å; Y215-V298 HydrophobicContact CD2-CG1 3.98Å; Y215-V298 HydrophobicContact CE1-CG1 4.22Å; Y215-V298 HydrophobicContact CG-CB 4.49Å; Y215-V298 HydrophobicContact CG-CG1 3.43Å; Y215-V298 VanDerWaalsContact CG-CG1 3.43Å; K294-V298 VanDerWaalsContact O-CG2 3.26Å; K294-V298 WeakPolarHBondContact O-CG2 3.38Å; K294-V298 PolarHBondContact O-N 2.79Å; L295-V298 PolarHBondContact O-N 3.05Å; E296-V298 VanDerWaalsContact C-N 3.28Å; E296-V298 PolarHBondContact O-N 2.79Å; V298-L300 VanDerWaalsContact C-N 3.31Å; V298-L300 PolarHBondContact O-N 3.37Å; V298-R301 VanDerWaalsContact CG2-NH2 3.3Å; V298-R301 PolarHBondContact O-N 2.86Å; V298-G302 PolarHBondContact O-N 2.92Å
299	R	93.2	Very high	80.3	Confident	37 Å²	37	88.3 Å²	88.3	14%	0.14	44%	0.442	C	S	.	.	H	α-helix	trans	-57.5	-42.5	176.1	-76.2	170.4	168.5	176.1	-2.5	112.1	Y215 E218 L295 E296 G302 R303	Y215-R299 HydrophobicContact CD2-CG 3.95Å; Y215-R299 HydrophobicContact CE2-CG 4.07Å; E218-R299 IonicContact OE1-NE 2.95Å; E218-R299 IonicContact OE1-NH2 3.37Å; E218-R299 IonicContact OE2-CZ 3.62Å; E218-R299 IonicContact OE2-NE 3.21Å; E218-R299 PolarHBondContact OE2-NE 3.4Å; E218-R299 IonicContact OE2-NH2 3.83Å; E218-R299 PolarHBondContact OE2-NH2 3.27Å; L295-R299 VanDerWaalsContact O-CG 3.31Å; L295-R299 WeakPolarHBondContact O-CG 3.39Å; L295-R299 PolarHBondContact O-N 3.03Å; E296-R299 WeakPolarHBondContact O-CB 3.06Å; E296-R299 PolarHBondContact O-N 2.97Å; E296-R299 IonicContact OE1-CZ 3.78Å; E296-R299 IonicContact OE1-NH1 2.99Å; E296-R299 PolarHBondContact OE1-NH1 3.38Å; R299-G302 PolarHBondContact O-N 3.28Å; R299-R303 WeakPolarHBondContact O-CG 3.22Å; R299-R303 PolarHBondContact O-N 3.43Å
300	L	89.9	Confident	79.6	Confident	95 Å²	95	86.1 Å²	86.1	50%	0.497	43%	0.434	S	S	.	.	H	α-helix	trans	-65.3	-43.3	177.5	-72.2	169.7	0	0	0	111.7	E296 V298 R303 K304	E296-L300 WeakPolarHBondContact O-CG 3.35Å; E296-L300 PolarHBondContact O-N 3.49Å; V298-L300 VanDerWaalsContact C-N 3.31Å; V298-L300 PolarHBondContact O-N 3.37Å; L300-R303 PolarHBondContact O-N 3.49Å; L300-K304 PolarHBondContact O-N 3.23Å; L300-K304 VanDerWaalsContact O-N 3.15Å
301	R	87.3	Confident	78.9	Confident	112 Å²	112	87.1 Å²	87.1	42%	0.423	44%	0.441	S	S	.	.	H	α-helix	trans	-64.1	-41.7	176	-72.4	-178.4	-73.7	178.3	0.8	112	E208 D297 V298 K304 R305	E208-R301 IonicContact OE1-CZ 3.68Å; E208-R301 VanDerWaalsContact OE1-CZ 3.32Å; E208-R301 IonicContact OE1-NH1 2.67Å; E208-R301 PolarHBondContact OE1-NH1 3.17Å; E208-R301 IonicContact OE1-NH2 2.64Å; E208-R301 PolarHBondContact OE1-NH2 2.91Å; D297-R301 WeakPolarHBondContact O-CG 3.23Å; D297-R301 PolarHBondContact O-N 2.93Å; D297-R301 VanDerWaalsContact O-N 3.11Å; D297-R301 PolarHBondContact O-NE 2.91Å; V298-R301 VanDerWaalsContact CG2-NH2 3.3Å; V298-R301 PolarHBondContact O-N 2.86Å; R301-K304 PolarHBondContact O-N 2.9Å; R301-R305 PolarHBondContact O-N 3.49Å
302	G	77	Confident	78	Confident	12 Å²	12	91.9 Å²	91.9	12%	0.124	47%	0.466	C	S	.	.	H	α-helix	trans	-63	-43.8	176.5	0	0	0	0	0	112.9	V298 R299 K304 R305 L306	V298-G302 PolarHBondContact O-N 2.92Å; R299-G302 PolarHBondContact O-N 3.28Å; G302-K304 PolarHBondContact O-N 2.83Å; G302-R305 PolarHBondContact O-N 3.03Å; G302-L306 PolarHBondContact O-N 2.97Å
303	R	71.9	Confident	77	Confident	137 Å²	137	95.2 Å²	95.2	52%	0.517	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-39.2	175.8	-78.7	-175.6	-94.6	-171	-6.3	112.9	R299 L300 R305 L306 M307	R299-R303 WeakPolarHBondContact O-CG 3.22Å; R299-R303 PolarHBondContact O-N 3.43Å; L300-R303 PolarHBondContact O-N 3.49Å; R303-R305 VanDerWaalsContact C-N 3.3Å; R303-R305 PolarHBondContact O-N 3Å; R303-L306 PolarHBondContact O-N 2.96Å; R303-M307 PolarHBondContact O-N 3.25Å
304	K	62.8	Low	75.8	Confident	149 Å²	149	95.2 Å²	95.2	65%	0.648	48%	0.48	S	S	*	.	H	α-helix	trans	-62.1	-36.2	175.7	-76.5	-177.3	178.4	-177.6	0	112.8	L300 R301 G302 L306 M307 I308	L300-K304 PolarHBondContact O-N 3.23Å; L300-K304 VanDerWaalsContact O-N 3.15Å; R301-K304 PolarHBondContact O-N 2.9Å; G302-K304 PolarHBondContact O-N 2.83Å; K304-L306 VanDerWaalsContact C-N 3.29Å; K304-L306 PolarHBondContact O-N 3.3Å; K304-M307 PolarHBondContact O-N 3.29Å; K304-I308 WeakPolarHBondContact O-CG1 3.45Å
305	R	58.9	Low	74.5	Confident	208 Å²	208	98.9 Å²	98.9	79%	0.785	50%	0.5	S	S	*	.	H	α-helix	trans	-66.2	-30.8	177.7	-71.1	-179.5	-179.9	172	0.4	112.9	R301 G302 R303 M307	R301-R305 PolarHBondContact O-N 3.49Å; G302-R305 PolarHBondContact O-N 3.03Å; R303-R305 VanDerWaalsContact C-N 3.3Å; R303-R305 PolarHBondContact O-N 3Å; R305-M307 VanDerWaalsContact C-N 3.35Å
306	L	55.5	Low	73	Confident	129 Å²	129	105.7 Å²	105.7	68%	0.675	54%	0.535	S	S	*	.	H	α-helix	trans	-74.7	-21.5	176.1	-75.2	163.6	0	0	0	113.6	G302 R303 K304	G302-L306 PolarHBondContact O-N 2.97Å; R303-L306 PolarHBondContact O-N 2.96Å; K304-L306 VanDerWaalsContact C-N 3.29Å; K304-L306 PolarHBondContact O-N 3.3Å
307	M	52.2	Low	71.3	Confident	169 Å²	169	107.8 Å²	107.8	83%	0.833	55%	0.548	S	S	*	.	H	α-helix	trans	-88.5	-10.2	177.8	-70	-164.7	-180	0	0	113.7	R303 K304 R305	R303-M307 PolarHBondContact O-N 3.25Å; K304-M307 PolarHBondContact O-N 3.29Å; R305-M307 VanDerWaalsContact C-N 3.35Å
308	I	50.9	Low	69.4	Low	150 Å²	150	111.2 Å²	111.2	77%	0.769	56%	0.563	S	S	*	*	H	α-helix	trans	-111.1	-7.3	-175.6	-59	168.5	0	0	0	111.6	K304	K304-I308 WeakPolarHBondContact O-CG1 3.45Å
309	G	40	Very low	67.2	Low	124 Å²	124	120.2 Å²	120.2	100%	1.278	61%	0.608	S	S	*	*			trans	-98.2	0	175.4	0	0	0	0	0	111.9

Retrieved 309 of 309 residues in 276.8 ms (Link to these results)

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