A0A096NSQ6_PAPAN Loading...

Fibronectin type 3 and ankyrin repeat domains protein 1

Through the activation of JUN and AP-1-mediated transcription, may regulate apoptosis.

AlphaFold DB (A0A2K6BIN3), UniProt , Accession A0A096NSQ6, Species PAPAN (Papio anubis, Olive baboon), Gene FANK1, Length 345 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	39.4	Very low	43.9	Very low	246 Å²	246	151 Å²	151	100%	1.212	80%	0.795	S	S	*	*				0	94.2	0	-90.4	172.3	126.6	0	0	107.3
2	E	31.6	Very low	47.2	Very low	184 Å²	184	140 Å²	140	86%	0.86	74%	0.739	S	S	*	*			trans	-83.7	132.5	164.1	-74.4	-176	151.6	0	0	107.8	Q4	E2-Q4 PolarHBondContact O-N 2.97Å
3	P	38	Very low	50.2	Low	122 Å²	122	139.6 Å²	139.6	79%	0.792	73%	0.73	S	S	*	*			trans	-66.4	119.2	173.1	25.4	-29.1	0	0	0	108.4	K5	P3-K5 PolarHBondContact O-N 3.42Å
4	Q	35.7	Very low	53.1	Low	182 Å²	182	132.8 Å²	132.8	85%	0.85	70%	0.699	S	S	*	*			trans	-54.1	109.6	165.9	-78.8	-179.6	-16.1	0	0	107.4	E2 I6	E2-Q4 PolarHBondContact O-N 2.97Å; Q4-I6 PolarHBondContact O-N 2.9Å
5	K	34.9	Very low	55.7	Low	199 Å²	199	124.1 Å²	124.1	87%	0.865	65%	0.653	S	S	*	*			trans	-58.5	103.7	167.3	-88.2	178.8	174	175.8	0	107	P3 T7	P3-K5 PolarHBondContact O-N 3.42Å; K5-T7 VanDerWaalsContact C-N 3.26Å; K5-T7 PolarHBondContact O-N 3.28Å
6	I	39.2	Very low	58.1	Low	160 Å²	160	120.8 Å²	120.8	82%	0.821	64%	0.639	S	S	*	*			trans	-67.8	94.5	166.5	-58.1	171.4	0	0	0	105.1	Q4	Q4-I6 PolarHBondContact O-N 2.9Å
7	T	38.8	Very low	60.4	Low	119 Å²	119	116.5 Å²	116.5	73%	0.73	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-50.8	130.6	163.3	7.7	0	0	0	0	107.5	K5	K5-T7 VanDerWaalsContact C-N 3.26Å; K5-T7 PolarHBondContact O-N 3.28Å
8	P	37.1	Very low	62.3	Low	106 Å²	106	111.8 Å²	111.8	69%	0.688	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-54.5	140.4	178.6	23.5	-32.4	0	0	0	108.5	S10	P8-S10 PolarHBondContact O-N 2.98Å
9	P	48.4	Very low	64	Low	88 Å²	88	113.5 Å²	113.5	57%	0.571	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-51.9	116.6	175.3	21.2	-31.2	0	0	0	107.9	K11 E95	P9-K11 PolarHBondContact O-N 3.03Å; P9-K11 VanDerWaalsContact O-N 3.12Å; P9-E95 WeakPolarHBondContact CG-OE1 3.27Å
10	S	65.9	Low	65.6	Low	94 Å²	94	109.8 Å²	109.8	66%	0.657	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-61	119	173	54.7	0	0	0	0	106	P8	P8-S10 PolarHBondContact O-N 2.98Å
11	K	73.8	Confident	66.9	Low	161 Å²	161	105.7 Å²	105.7	70%	0.7	57%	0.565	S	S	*	*			trans	-38.3	137	177.2	-69.6	-178.6	177.9	-179.7	0	110.2	P9 H13	P9-K11 PolarHBondContact O-N 3.03Å; P9-K11 VanDerWaalsContact O-N 3.12Å; K11-H13 PolarHBondContact O-N 3.41Å
12	P	83	Confident	69.4	Low	19 Å²	19	96 Å²	96	12%	0.123	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-58.8	141.4	-175	24	-33.1	0	0	0	110.2	L85 V87 E95 S97	P12-L85 HydrophobicContact CB-CD2 4.45Å; P12-V87 HydrophobicContact CB-CG2 3.65Å; P12-V87 HydrophobicContact CG-CB 4.5Å; P12-V87 HydrophobicContact CG-CG2 3.9Å; P12-E95 WeakPolarHBondContact CD-OE2 3.39Å; P12-E95 HydrophobicContact CG-CB 4.13Å; P12-S97 VanDerWaalsContact O-CA 3.26Å; P12-S97 WeakPolarHBondContact O-CA 3.4Å; P12-S97 WeakPolarHBondContact O-CB 3.5Å
13	H	86.6	Confident	72.3	Confident	135 Å²	135	91.5 Å²	91.5	63%	0.625	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-62.8	148.2	173	-71.8	-74.3	0	0	0	110.3	K11 S97	K11-H13 PolarHBondContact O-N 3.41Å; H13-S97 WeakPolarHBondContact O-CB 3.29Å
14	P	90.3	Very high	75.1	Confident	44 Å²	44	86.3 Å²	86.3	29%	0.286	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-59.4	153.3	173.2	27	-34.2	0	0	0	110.8	V16 V100	P14-V16 PolarHBondContact O-N 2.67Å; P14-V100 HydrophobicContact CB-CB 4.34Å
15	P	93.1	Very high	78	Confident	2 Å²	2	77.6 Å²	77.6	1%	0.013	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-62.2	137.5	174.8	25	-27.8	0	0	0	109.6	L27 Y28 W29 I49 F83 L85 V100	P15-L27 HydrophobicContact CB-CB 4.25Å; P15-L27 HydrophobicContact CB-CD2 4.39Å; P15-Y28 CarbonylContact C-O 3.43Å; P15-Y28 WeakPolarHBondContact CA-O 3.42Å; P15-W29 HydrophobicContact CB-CE3 4.4Å; P15-I49 HydrophobicContact CB-CD1 4.3Å; P15-I49 HydrophobicContact CG-CD1 4.3Å; P15-F83 HydrophobicContact CG-CB 4.5Å; P15-L85 HydrophobicContact CG-CB 4.43Å; P15-V100 HydrophobicContact CG-CG1 3.8Å
16	V	94.4	Very high	81	Confident	72 Å²	72	70 Å²	70	44%	0.436	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	126.6	177.6	179.3	0	0	0	0	108.9	P14 L27 Y28 L31	P14-V16 PolarHBondContact O-N 2.67Å; V16-L27 WeakPolarHBondContact O-CA 3.46Å; V16-Y28 PolarHBondContact N-O 2.93Å; V16-Y28 PolarHBondContact O-N 3.01Å; V16-L31 HydrophobicContact CB-CD1 4.07Å; V16-L31 HydrophobicContact CG1-CD1 4.43Å; V16-L31 HydrophobicContact CG2-CD1 3.58Å
17	V	96.1	Very high	83.7	Confident	47 Å²	47	62.4 Å²	62.4	29%	0.285	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.5	177.3	176.9	0	0	0	0	109.2	V20 I25 L27 V100 V102	V17-V20 HydrophobicContact CG1-CG2 3.56Å; V17-I25 HydrophobicContact CG1-CG2 4.32Å; V17-L27 HydrophobicContact CG2-CD2 3.99Å; V17-V100 HydrophobicContact CG2-CG1 4.39Å; V17-V100 HydrophobicContact CG2-CG2 3.68Å; V17-V102 HydrophobicContact CG1-CB 4.29Å; V17-V102 HydrophobicContact CG1-CG2 3.76Å; V17-V102 HydrophobicContact CG2-CB 3.98Å; V17-V102 HydrophobicContact CG2-CG1 3.99Å; V17-V102 HydrophobicContact CG2-CG2 4.36Å
18	G	94.6	Very high	86.4	Confident	32 Å²	32	59.9 Å²	59.9	33%	0.33	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-130	172.2	0	0	0	0	0	112.1	V20 E26	G18-V20 PolarHBondContact O-N 3.33Å; G18-E26 PolarHBondContact N-O 3.43Å
19	K	95.9	Very high	89	Confident	145 Å²	145	55.1 Å²	55.1	63%	0.63	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.9	179.4	-172.2	179.4	179.4	-176.9	0	110.6	E26	K19-E26 HydrophobicContact CB-CG 4.07Å; K19-E26 PolarHBondContact O-N 3.47Å
20	V	95.3	Very high	90.4	Very high	39 Å²	39	53 Å²	53	24%	0.236	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.6	174.9	-179.9	0	0	0	0	108.9	V17 G18 I25 V102 S103 T105	V17-V20 HydrophobicContact CG1-CG2 3.56Å; G18-V20 PolarHBondContact O-N 3.33Å; V20-I25 HydrophobicContact CG1-CG1 4.11Å; V20-I25 HydrophobicContact CG2-CG1 4.43Å; V20-V102 HydrophobicContact CG1-CG2 4.39Å; V20-V102 HydrophobicContact CG2-CG2 3.7Å; V20-S103 WeakPolarHBondContact CG1-O 3.44Å; V20-T105 HydrophobicContact CG1-CG2 4.24Å
21	T	93.1	Very high	90.3	Very high	24 Å²	24	54 Å²	54	15%	0.147	28%	0.277	C	S	.	.			trans	-119.6	-172.6	171.2	79.7	0	0	0	0	110	H23 S24 T104 T105	T21-H23 VanDerWaalsContact C-N 3.28Å; T21-H23 PolarHBondContact OG1-N 2.89Å; T21-S24 PolarHBondContact N-O 2.73Å; T21-S24 PolarHBondContact OG1-N 3.46Å; T21-S24 PolarHBondContact OG1-O 2.99Å; T21-S24 PolarHBondContact OG1-OG 3.33Å; T21-T104 WeakPolarHBondContact O-CA 3.34Å; T21-T104 WeakPolarHBondContact O-CB 3.23Å; T21-T105 PolarHBondContact O-N 3.06Å
22	H	90.6	Very high	89.7	Confident	43 Å²	43	52.3 Å²	52.3	20%	0.199	27%	0.271	C	S	.	.	S	Bend	trans	-77.8	-15.1	175.7	57.7	-78.6	0	0	0	112.6	E76 P77 T105 E107 P108	H22-E76 CarbonylContact O-C 3.5Å; H22-P77 HydrophobicContact CB-CB 4.09Å; H22-P77 HydrophobicContact CB-CG 4.17Å; H22-P77 WeakPolarHBondContact O-CA 3.49Å; H22-P77 WeakPolarHBondContact O-CG 3.26Å; H22-T105 WeakPolarHBondContact CA-O 3.16Å; H22-T105 VanDerWaalsContact CB-O 3.29Å; H22-T105 WeakPolarHBondContact CB-O 3.15Å; H22-T105 PolarHBondContact N-OG1 3.3Å; H22-T105 VanDerWaalsContact N-OG1 3.09Å; H22-E107 HydrophobicContact CB-CB 4.43Å; H22-P108 VanDerWaalsContact ND1-CD 3.34Å; H22-P108 WeakPolarHBondContact ND1-CD 3.44Å
23	H	94	Very high	88.6	Confident	88 Å²	88	59.9 Å²	59.9	41%	0.407	30%	0.302	S	S	.	.	S	Bend	trans	-131.2	5	-179.4	68.8	65.8	0	0	0	113.9	T21 E73 G74 L75	T21-H23 VanDerWaalsContact C-N 3.28Å; T21-H23 PolarHBondContact OG1-N 2.89Å; H23-E73 CarbonylContact O-C 3.47Å; H23-G74 PolarHBondContact O-N 2.96Å; H23-L75 WeakPolarHBondContact CA-O 3.42Å; H23-L75 PolarHBondContact O-N 3.46Å; H23-L75 VanDerWaalsContact O-N 3.16Å
24	S	95.8	Very high	87	Confident	13 Å²	13	60.6 Å²	60.6	9%	0.091	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	151.3	-178.9	66.9	0	0	0	0	114.5	T21 V72	T21-S24 PolarHBondContact N-O 2.73Å; T21-S24 PolarHBondContact OG1-N 3.46Å; T21-S24 PolarHBondContact OG1-O 2.99Å; T21-S24 PolarHBondContact OG1-OG 3.33Å; S24-V72 CarbonylContact C-O 3.57Å; S24-V72 WeakPolarHBondContact CA-O 3.42Å; S24-V72 VanDerWaalsContact CB-O 3.25Å; S24-V72 WeakPolarHBondContact CB-O 3.48Å
25	I	97.6	Very high	85.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.2	174.9	-67.9	168.2	0	0	0	108.3	V17 V20 L27 V72 L75 Y81 F83 V102 T104	V17-I25 HydrophobicContact CG1-CG2 4.32Å; V20-I25 HydrophobicContact CG1-CG1 4.11Å; V20-I25 HydrophobicContact CG2-CG1 4.43Å; I25-L27 HydrophobicContact CG2-CD2 3.86Å; I25-L27 HydrophobicContact CG2-CG 4.15Å; I25-V72 PolarHBondContact N-O 2.86Å; I25-V72 PolarHBondContact O-N 3.29Å; I25-L75 HydrophobicContact CB-CD1 3.93Å; I25-L75 HydrophobicContact CD1-CD1 3.41Å; I25-L75 VanDerWaalsContact CD1-CD1 3.41Å; I25-L75 HydrophobicContact CG1-CD1 3.52Å; I25-Y81 HydrophobicContact CD1-CD2 4.19Å; I25-F83 HydrophobicContact CD1-CE2 3.92Å; I25-F83 HydrophobicContact CD1-CZ 4.35Å; I25-F83 HydrophobicContact CG2-CE2 4.3Å; I25-V102 HydrophobicContact CD1-CB 4.38Å; I25-V102 HydrophobicContact CD1-CG1 3.72Å; I25-V102 HydrophobicContact CD1-CG2 3.87Å; I25-V102 HydrophobicContact CG1-CG2 4.25Å; I25-V102 HydrophobicContact CG2-CG1 4.11Å; I25-V102 HydrophobicContact CG2-CG2 4.35Å; I25-T104 HydrophobicContact CD1-CG2 4.07Å; I25-T104 HydrophobicContact CG1-CG2 4.29Å
26	E	97.4	Very high	83.7	Confident	40 Å²	40	68.6 Å²	68.6	19%	0.187	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.4	169.8	-57.5	-165.1	141	0	0	111	G18 K19 Y28 K69 V71	G18-E26 PolarHBondContact N-O 3.43Å; K19-E26 HydrophobicContact CB-CG 4.07Å; K19-E26 PolarHBondContact O-N 3.47Å; E26-Y28 HydrophobicContact CB-CE2 3.74Å; E26-Y28 PolarHBondContact OE2-OH 3.37Å; E26-K69 IonicContact OE1-NZ 3.26Å; E26-K69 PolarHBondContact OE1-NZ 2.75Å; E26-K69 IonicContact OE2-NZ 2.78Å; E26-V71 HydrophobicContact CG-CG1 4.31Å; E26-V71 HydrophobicContact CG-CG2 3.97Å
27	L	96.6	Very high	82.4	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.9	177	-62.7	175.9	0	0	0	110.1	P15 V16 V17 I25 W29 I49 K69 H70 V72 F83	P15-L27 HydrophobicContact CB-CB 4.25Å; P15-L27 HydrophobicContact CB-CD2 4.39Å; V16-L27 WeakPolarHBondContact O-CA 3.46Å; V17-L27 HydrophobicContact CG2-CD2 3.99Å; I25-L27 HydrophobicContact CG2-CD2 3.86Å; I25-L27 HydrophobicContact CG2-CG 4.15Å; L27-W29 HydrophobicContact CB-CZ3 4.23Å; L27-I49 HydrophobicContact CD1-CG2 3.96Å; L27-K69 CarbonylContact O-C 3.55Å; L27-K69 VanDerWaalsContact O-CA 3.3Å; L27-K69 WeakPolarHBondContact O-CA 3.14Å; L27-H70 PolarHBondContact N-O 2.63Å; L27-H70 PolarHBondContact O-N 2.8Å; L27-V72 HydrophobicContact CD1-CG2 3.89Å; L27-V72 HydrophobicContact CG-CG2 4.49Å; L27-F83 HydrophobicContact CD1-CB 4.14Å; L27-F83 HydrophobicContact CD1-CD1 4.28Å; L27-F83 HydrophobicContact CD1-CD2 3.93Å; L27-F83 HydrophobicContact CD1-CE2 4.4Å; L27-F83 HydrophobicContact CD1-CG 3.85Å; L27-F83 HydrophobicContact CD2-CD2 4.24Å
28	Y	94.5	Very high	80.6	Confident	65 Å²	65	75.1 Å²	75.1	26%	0.255	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.3	179.7	-60.3	-99.9	0	0	0	110.8	P15 V16 E26 T68 K69	P15-Y28 CarbonylContact C-O 3.43Å; P15-Y28 WeakPolarHBondContact CA-O 3.42Å; V16-Y28 PolarHBondContact N-O 2.93Å; V16-Y28 PolarHBondContact O-N 3.01Å; E26-Y28 HydrophobicContact CB-CE2 3.74Å; E26-Y28 PolarHBondContact OE2-OH 3.37Å; Y28-T68 CarbonylContact C-O 3.59Å; Y28-T68 WeakPolarHBondContact CA-O 3.44Å; Y28-K69 HydrophobicContact CD1-CB 4Å; Y28-K69 HydrophobicContact CD1-CD 4.21Å; Y28-K69 HydrophobicContact CD1-CG 3.91Å; Y28-K69 HydrophobicContact CE1-CB 4.14Å; Y28-K69 HydrophobicContact CE1-CD 3.46Å; Y28-K69 VanDerWaalsContact CE1-CD 3.46Å; Y28-K69 HydrophobicContact CE1-CG 3.67Å; Y28-K69 WeakPolarHBondContact OH-CE 3.37Å; Y28-K69 PolarHBondContact OH-NZ 3.19Å
29	W	91.3	Very high	79.3	Confident	6 Å²	6	75.9 Å²	75.9	2%	0.023	37%	0.365	C	S	.	.			trans	-148	172.9	174.5	55.7	91.7	0	0	0	111.4	P15 L27 L31 F47 I49 Y63 A67 T68 H70 L85	P15-W29 HydrophobicContact CB-CE3 4.4Å; L27-W29 HydrophobicContact CB-CZ3 4.23Å; W29-L31 VanDerWaalsContact C-N 3.28Å; W29-L31 PolarHBondContact O-N 3.26Å; W29-F47 AromaticContact CD1-CD1 3.5Å; W29-F47 AromaticContact CD1-CE1 3.72Å; W29-F47 AromaticContact CD1-CG 3.7Å; W29-F47 HydrophobicContact CZ2-CB 3.96Å; W29-F47 AromaticContact NE1-CD1 3.38Å; W29-F47 AromaticContact NE1-CD2 3.35Å; W29-F47 AromaticContact NE1-CE1 3.94Å; W29-F47 AromaticContact NE1-CE2 3.92Å; W29-F47 AromaticContact NE1-CG 3.04Å; W29-I49 HydrophobicContact CD2-CD1 4.5Å; W29-I49 HydrophobicContact CE3-CD1 3.86Å; W29-I49 HydrophobicContact CE3-CG1 4.47Å; W29-I49 HydrophobicContact CH2-CD1 4.03Å; W29-I49 HydrophobicContact CH2-CG1 3.78Å; W29-I49 HydrophobicContact CZ3-CD1 3.61Å; W29-I49 HydrophobicContact CZ3-CG1 3.73Å; W29-Y63 AromaticContact CH2-CD1 3.85Å; W29-Y63 HydrophobicContact CH2-CD1 3.85Å; W29-Y63 AromaticContact CH2-CE1 3.89Å; W29-Y63 HydrophobicContact CH2-CE1 3.89Å; W29-Y63 HydrophobicContact CZ2-CD1 4.01Å; W29-Y63 AromaticContact CZ2-CE1 3.67Å; W29-Y63 HydrophobicContact CZ2-CE1 3.67Å; W29-A67 WeakPolarHBondContact CZ2-O 3.36Å; W29-A67 PolarHBondContact NE1-O 2.9Å; W29-T68 PolarHBondContact N-O 3.17Å; W29-T68 WeakPolarHBondContact O-CB 3.35Å; W29-H70 HydrophobicContact CH2-CB 3.6Å; W29-H70 HydrophobicContact CZ3-CB 3.9Å; W29-L85 HydrophobicContact CB-CD1 4.41Å; W29-L85 HydrophobicContact CB-CD2 3.65Å; W29-L85 HydrophobicContact CD2-CD1 3.89Å; W29-L85 HydrophobicContact CE3-CD1 4.44Å; W29-L85 HydrophobicContact CG-CD1 3.87Å; W29-L85 HydrophobicContact CG-CD2 3.9Å
30	D	78.8	Confident	78.3	Confident	44 Å²	44	72.5 Å²	72.5	24%	0.235	36%	0.358	C	S	.	.			trans	54	41.5	-177.8	-169.7	26.4	0	0	0	113.4	E32 K33 K34 A35 F47 T68	D30-E32 PolarHBondContact O-N 3.1Å; D30-K33 PolarHBondContact O-N 3.29Å; D30-K33 VanDerWaalsContact O-N 3.15Å; D30-K34 PolarHBondContact OD1-N 3.07Å; D30-A35 WeakPolarHBondContact OD2-CB 3.42Å; D30-F47 HydrophobicContact CB-CZ 4.35Å; D30-T68 HydrophobicContact CB-CG2 3.95Å
31	L	63.1	Low	77.1	Confident	115 Å²	115	75.7 Å²	75.7	60%	0.602	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.1	-175.8	-66	174.1	0	0	0	113.6	V16 W29 K33	V16-L31 HydrophobicContact CB-CD1 4.07Å; V16-L31 HydrophobicContact CG1-CD1 4.43Å; V16-L31 HydrophobicContact CG2-CD1 3.58Å; W29-L31 VanDerWaalsContact C-N 3.28Å; W29-L31 PolarHBondContact O-N 3.26Å; L31-K33 VanDerWaalsContact C-N 3.27Å; L31-K33 PolarHBondContact O-N 2.92Å
32	E	61.8	Low	76	Confident	125 Å²	125	81.5 Å²	81.5	58%	0.584	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	1.2	178.8	-63	-177.1	154.5	0	0	113.1	D30 K34	D30-E32 PolarHBondContact O-N 3.1Å; E32-K34 HydrophobicContact CB-CD 4.24Å; E32-K34 HydrophobicContact CB-CG 4Å; E32-K34 PolarHBondContact O-N 3.47Å; E32-K34 VanDerWaalsContact O-N 3.13Å; E32-K34 WeakPolarHBondContact OE2-CD 3.34Å; E32-K34 WeakPolarHBondContact OE2-CE 3.44Å; E32-K34 IonicContact OE2-NZ 2.76Å; E32-K34 PolarHBondContact OE2-NZ 2.97Å
33	K	58.9	Low	75.2	Confident	178 Å²	178	85.3 Å²	85.3	77%	0.774	41%	0.414	S	S	*	.			trans	50.4	34.7	-177.4	-58.9	-179	-179.5	176.9	0	112.8	D30 L31 A35	D30-K33 PolarHBondContact O-N 3.29Å; D30-K33 VanDerWaalsContact O-N 3.15Å; L31-K33 VanDerWaalsContact C-N 3.27Å; L31-K33 PolarHBondContact O-N 2.92Å; K33-A35 PolarHBondContact O-N 3.23Å
34	K	54.8	Low	74.6	Confident	150 Å²	150	84.1 Å²	84.1	65%	0.652	41%	0.405	S	S	*	.			trans	-69	-25.1	-176.6	-82.2	176.9	169.2	164.2	0	111.6	D30 E32 K36	D30-K34 PolarHBondContact OD1-N 3.07Å; E32-K34 HydrophobicContact CB-CD 4.24Å; E32-K34 HydrophobicContact CB-CG 4Å; E32-K34 PolarHBondContact O-N 3.47Å; E32-K34 VanDerWaalsContact O-N 3.13Å; E32-K34 WeakPolarHBondContact OE2-CD 3.34Å; E32-K34 WeakPolarHBondContact OE2-CE 3.44Å; E32-K34 IonicContact OE2-NZ 2.76Å; E32-K34 PolarHBondContact OE2-NZ 2.97Å; K34-K36 PolarHBondContact O-N 3.3Å; K34-K36 VanDerWaalsContact O-N 3.12Å
35	A	56.8	Low	73.9	Confident	30 Å²	30	88 Å²	88	25%	0.248	42%	0.421	C	S	.	.	S	Bend	trans	-77.6	92.6	173.1	0	0	0	0	0	111.3	D30 K33 R37	D30-A35 WeakPolarHBondContact OD2-CB 3.42Å; K33-A35 PolarHBondContact O-N 3.23Å; A35-R37 PolarHBondContact O-N 2.81Å
36	K	55.8	Low	73.5	Confident	185 Å²	185	93.1 Å²	93.1	80%	0.804	44%	0.44	S	S	*	.			trans	-64.6	101.5	166.2	-74.3	-177.4	179.9	177.7	0	109	K34 Q38	K34-K36 PolarHBondContact O-N 3.3Å; K34-K36 VanDerWaalsContact O-N 3.12Å; K36-Q38 PolarHBondContact O-N 3.32Å; K36-Q38 VanDerWaalsContact O-N 3.09Å
37	R	67.2	Low	73.2	Confident	107 Å²	107	91.7 Å²	91.7	40%	0.404	43%	0.434	S	S	.	.			trans	-77.3	89	176.6	-61.3	175.9	-171.5	-151.4	-12	109.6	A35 W44 Y66 T68	A35-R37 PolarHBondContact O-N 2.81Å; R37-W44 HydrophobicContact CB-CD2 4.3Å; R37-W44 HydrophobicContact CB-CH2 4.23Å; R37-W44 HydrophobicContact CB-CZ2 3.9Å; R37-W44 HydrophobicContact CG-CD2 4.31Å; R37-W44 HydrophobicContact CG-CE3 4.36Å; R37-Y66 PolarHBondContact NH1-O 3.3Å; R37-Y66 PolarHBondContact NH2-O 2.92Å; R37-T68 VanDerWaalsContact NH2-CG2 3.33Å
38	Q	59.2	Low	73.1	Confident	149 Å²	149	91.9 Å²	91.9	70%	0.696	44%	0.435	S	S	*	.			trans	-124.5	140.1	174.4	-65.1	-174.9	-6.9	0	0	108.8	K36	K36-Q38 PolarHBondContact O-N 3.32Å; K36-Q38 VanDerWaalsContact O-N 3.09Å
39	G	67.6	Low	73.2	Confident	48 Å²	48	88.8 Å²	88.8	50%	0.495	42%	0.423	S	S	.	.	S	Bend	trans	83.7	-175.4	-178	0	0	0	0	0	114.7	W44	G39-W44 PolarHBondContact O-NE1 3.17Å; G39-W44 VanDerWaalsContact O-NE1 3.11Å
40	P	74.4	Confident	73.4	Confident	73 Å²	73	89 Å²	89	47%	0.474	42%	0.424	S	S	.	.			trans	-70	157.6	-174.1	32.6	-37.6	0	0	0	112.6	E42 Q43 W44	P40-E42 WeakPolarHBondContact CB-OE2 3.44Å; P40-E42 PolarHBondContact O-N 2.88Å; P40-E42 VanDerWaalsContact O-N 3.16Å; P40-Q43 HydrophobicContact CG-CG 4.33Å; P40-Q43 WeakPolarHBondContact O-CB 3.31Å; P40-Q43 PolarHBondContact O-N 3.4Å; P40-Q43 VanDerWaalsContact O-N 3.09Å; P40-W44 PolarHBondContact O-NE1 3.37Å
41	Q	69.6	Low	74.2	Confident	107 Å²	107	89.2 Å²	89.2	50%	0.5	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-64.1	-24.1	-165.8	-71.4	-175.2	-6.7	0	0	114.1	Q43 W44	Q41-Q43 PolarHBondContact O-N 3.29Å; Q41-Q43 VanDerWaalsContact O-N 3.16Å; Q41-W44 HydrophobicContact CG-CE3 4.35Å; Q41-W44 HydrophobicContact CG-CH2 4.44Å; Q41-W44 HydrophobicContact CG-CZ3 4.29Å; Q41-W44 WeakPolarHBondContact O-CB 3.34Å; Q41-W44 PolarHBondContact O-N 3.24Å
42	E	70.9	Confident	75.7	Confident	146 Å²	146	85.2 Å²	85.2	68%	0.682	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-65.2	-15.8	177.8	-57.1	77	-167.9	0	0	112.3	P40	P40-E42 WeakPolarHBondContact CB-OE2 3.44Å; P40-E42 PolarHBondContact O-N 2.88Å; P40-E42 VanDerWaalsContact O-N 3.16Å
43	Q	73.4	Confident	77	Confident	122 Å²	122	81.9 Å²	81.9	57%	0.57	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-94.9	2.4	177.7	-59.4	-179.5	-2.3	0	0	112.7	P40 Q41 P90	P40-Q43 HydrophobicContact CG-CG 4.33Å; P40-Q43 WeakPolarHBondContact O-CB 3.31Å; P40-Q43 PolarHBondContact O-N 3.4Å; P40-Q43 VanDerWaalsContact O-N 3.09Å; Q41-Q43 PolarHBondContact O-N 3.29Å; Q41-Q43 VanDerWaalsContact O-N 3.16Å; Q43-P90 VanDerWaalsContact C-CG 3.44Å; Q43-P90 WeakPolarHBondContact O-CG 3.37Å
44	W	80.2	Confident	78.2	Confident	63 Å²	63	77.4 Å²	77.4	24%	0.239	38%	0.377	C	S	.	.	S	Bend	trans	-97.8	150.4	-175.6	-62	7.6	0	0	0	111.5	R37 G39 P40 Q41 R46 Y66	R37-W44 HydrophobicContact CB-CD2 4.3Å; R37-W44 HydrophobicContact CB-CH2 4.23Å; R37-W44 HydrophobicContact CB-CZ2 3.9Å; R37-W44 HydrophobicContact CG-CD2 4.31Å; R37-W44 HydrophobicContact CG-CE3 4.36Å; G39-W44 PolarHBondContact O-NE1 3.17Å; G39-W44 VanDerWaalsContact O-NE1 3.11Å; P40-W44 PolarHBondContact O-NE1 3.37Å; Q41-W44 HydrophobicContact CG-CE3 4.35Å; Q41-W44 HydrophobicContact CG-CH2 4.44Å; Q41-W44 HydrophobicContact CG-CZ3 4.29Å; Q41-W44 WeakPolarHBondContact O-CB 3.34Å; Q41-W44 PolarHBondContact O-N 3.24Å; W44-R46 PolarHBondContact O-N 3.46Å; W44-Y66 HydrophobicContact CB-CD1 4.07Å; W44-Y66 HydrophobicContact CB-CE1 4.18Å; W44-Y66 HydrophobicContact CE3-CD1 4.43Å; W44-Y66 HydrophobicContact CE3-CG 4.46Å
45	F	82.4	Confident	79.7	Confident	95 Å²	95	79.2 Å²	79.2	42%	0.417	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-65.1	131.1	168.1	-72	-89.5	0	0	0	110.1	F47 Y66 V87 T88	F45-F47 HydrophobicContact CB-CZ 4.25Å; F45-Y66 WeakPolarHBondContact O-CD1 3.17Å; F45-V87 HydrophobicContact CB-CG1 4.23Å; F45-V87 HydrophobicContact CD1-CG1 3.67Å; F45-V87 HydrophobicContact CE1-CG1 4.49Å; F45-V87 HydrophobicContact CG-CG1 4.32Å; F45-T88 WeakPolarHBondContact CA-O 3.37Å
46	R	87.9	Confident	81	Confident	107 Å²	107	84.8 Å²	84.8	40%	0.404	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.5	174.1	-172.7	178.2	66.1	-174.1	-3.5	109.3	W44 T64 Y66 T88	W44-R46 PolarHBondContact O-N 3.46Å; R46-T64 HydrophobicContact CG-CG2 4.04Å; R46-Y66 HydrophobicContact CB-CD1 4.43Å; R46-Y66 HydrophobicContact CB-CE1 3.98Å; R46-Y66 HydrophobicContact CG-CE1 4.3Å; R46-T88 PolarHBondContact N-O 3.24Å; R46-T88 PolarHBondContact O-N 3.28Å
47	F	92.5	Very high	82.3	Confident	11 Å²	11	83.1 Å²	83.1	5%	0.048	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.6	-179.7	-57.5	-75	0	0	0	110.1	W29 D30 F45 T64 G65 L85 K86 V87	W29-F47 AromaticContact CD1-CD1 3.5Å; W29-F47 AromaticContact CD1-CE1 3.72Å; W29-F47 AromaticContact CD1-CG 3.7Å; W29-F47 HydrophobicContact CZ2-CB 3.96Å; W29-F47 AromaticContact NE1-CD1 3.38Å; W29-F47 AromaticContact NE1-CD2 3.35Å; W29-F47 AromaticContact NE1-CE1 3.94Å; W29-F47 AromaticContact NE1-CE2 3.92Å; W29-F47 AromaticContact NE1-CG 3.04Å; D30-F47 HydrophobicContact CB-CZ 4.35Å; F45-F47 HydrophobicContact CB-CZ 4.25Å; F47-T64 CarbonylContact O-C 3.59Å; F47-T64 VanDerWaalsContact O-CA 3.29Å; F47-T64 WeakPolarHBondContact O-CA 3.46Å; F47-G65 PolarHBondContact N-O 3.47Å; F47-G65 PolarHBondContact O-N 2.85Å; F47-L85 HydrophobicContact CB-CD1 4.18Å; F47-L85 HydrophobicContact CD1-CD1 4.12Å; F47-K86 WeakPolarHBondContact CA-O 3.41Å; F47-V87 HydrophobicContact CD1-CG1 4.33Å; F47-V87 HydrophobicContact CD1-CG2 3.95Å; F47-V87 HydrophobicContact CE1-CG1 4.05Å; F47-V87 HydrophobicContact CE1-CG2 4.01Å
48	S	94.3	Very high	83.4	Confident	4 Å²	4	80.4 Å²	80.4	3%	0.028	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.5	168.3	-58	0	0	0	0	109.8	Y63 T64 K86	S48-Y63 CarbonylContact C-O 3.49Å; S48-Y63 WeakPolarHBondContact CA-O 3.31Å; S48-Y63 WeakPolarHBondContact CB-O 3.48Å; S48-T64 WeakPolarHBondContact CB-OG1 3.45Å; S48-T64 PolarHBondContact OG-OG1 3Å; S48-K86 PolarHBondContact N-O 2.79Å; S48-K86 PolarHBondContact O-N 3.44Å
49	I	96.2	Very high	85	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.8	170	-60.1	-65.3	0	0	0	107.8	P15 L27 W29 I62 Y63 F83 L85	P15-I49 HydrophobicContact CB-CD1 4.3Å; P15-I49 HydrophobicContact CG-CD1 4.3Å; L27-I49 HydrophobicContact CD1-CG2 3.96Å; W29-I49 HydrophobicContact CD2-CD1 4.5Å; W29-I49 HydrophobicContact CE3-CD1 3.86Å; W29-I49 HydrophobicContact CE3-CG1 4.47Å; W29-I49 HydrophobicContact CH2-CD1 4.03Å; W29-I49 HydrophobicContact CH2-CG1 3.78Å; W29-I49 HydrophobicContact CZ3-CD1 3.61Å; W29-I49 HydrophobicContact CZ3-CG1 3.73Å; I49-I62 HydrophobicContact CB-CD1 4.45Å; I49-I62 HydrophobicContact CB-CG1 3.98Å; I49-I62 HydrophobicContact CG2-CD1 3.74Å; I49-I62 HydrophobicContact CG2-CG1 3.72Å; I49-I62 WeakPolarHBondContact O-CG1 3.37Å; I49-I62 PolarHBondContact O-N 3.41Å; I49-Y63 HydrophobicContact CG1-CD1 4.3Å; I49-Y63 PolarHBondContact N-O 3.37Å; I49-Y63 PolarHBondContact O-N 3.02Å; I49-F83 HydrophobicContact CG2-CB 4.28Å; I49-F83 HydrophobicContact CG2-CD1 4.15Å; I49-L85 HydrophobicContact CD1-CB 4.38Å; I49-L85 HydrophobicContact CD1-CD1 3.64Å
50	E	96.1	Very high	86.2	Confident	10 Å²	10	76.3 Å²	76.3	5%	0.047	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.4	175.1	-72.1	178.2	-174.1	0	0	110.1	Y59 G60 I61 F83 R84 Y96	E50-Y59 HydrophobicContact CB-CD1 4.32Å; E50-G60 CarbonylContact C-O 3.54Å; E50-G60 VanDerWaalsContact CA-O 3.24Å; E50-G60 WeakPolarHBondContact CA-O 3.3Å; E50-I61 HydrophobicContact CG-CG1 3.84Å; E50-F83 CarbonylContact O-C 3.55Å; E50-F83 VanDerWaalsContact O-CA 3.28Å; E50-F83 WeakPolarHBondContact O-CA 3.48Å; E50-R84 HydrophobicContact CB-CG 3.92Å; E50-R84 PolarHBondContact N-O 2.66Å; E50-R84 PolarHBondContact O-N 3.09Å; E50-R84 IonicContact OE2-CZ 2.66Å; E50-R84 IonicContact OE2-NE 2.83Å; E50-R84 PolarHBondContact OE2-NE 2.82Å; E50-R84 IonicContact OE2-NH2 3.9Å; E50-R84 PolarHBondContact OE2-NH2 3.37Å; E50-Y96 WeakPolarHBondContact OE2-CE1 3.34Å
51	E	95.4	Very high	87.1	Confident	49 Å²	49	77.4 Å²	77.4	23%	0.229	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	135	172.5	-177.1	-179.8	162.5	0	0	109.6	Y59 G60 I62 Y81 F83	E51-Y59 CarbonylContact O-C 3.58Å; E51-Y59 WeakPolarHBondContact O-CA 3.4Å; E51-G60 PolarHBondContact N-O 3.3Å; E51-G60 PolarHBondContact O-N 3.24Å; E51-I62 HydrophobicContact CB-CD1 4.26Å; E51-I62 HydrophobicContact CB-CG2 3.87Å; E51-Y81 WeakPolarHBondContact OE1-CD1 3.25Å; E51-Y81 VanDerWaalsContact OE1-CE1 3.31Å; E51-Y81 WeakPolarHBondContact OE1-CE1 3.47Å; E51-F83 HydrophobicContact CB-CD1 3.96Å; E51-F83 HydrophobicContact CB-CE1 3.9Å; E51-F83 HydrophobicContact CG-CD1 4.17Å; E51-F83 HydrophobicContact CG-CE1 3.77Å
52	E	95.1	Very high	88.3	Confident	31 Å²	31	75.1 Å²	75.1	15%	0.145	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.2	172.6	-176.9	-177.4	-123.9	0	0	110.5	P54 S58 Y59 R82	E52-P54 VanDerWaalsContact O-CD 3.26Å; E52-P54 WeakPolarHBondContact O-CD 3.36Å; E52-S58 WeakPolarHBondContact CA-O 3.35Å; E52-Y59 HydrophobicContact CB-CD1 4.24Å; E52-Y59 HydrophobicContact CB-CE1 3.82Å; E52-Y59 HydrophobicContact CG-CE1 4.25Å; E52-R82 HydrophobicContact CB-CB 4.04Å; E52-R82 PolarHBondContact N-O 3.02Å; E52-R82 WeakPolarHBondContact OE2-CD 3.35Å; E52-R82 IonicContact OE2-CZ 3.22Å; E52-R82 IonicContact OE2-NE 3.99Å; E52-R82 IonicContact OE2-NH1 3.96Å; E52-R82 PolarHBondContact OE2-NH1 3.5Å
53	D	89.3	Confident	89.5	Confident	54 Å²	54	70.2 Å²	70.2	29%	0.289	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	109.7	163.4	-176.6	-31.9	0	0	0	108.7	K55 M56 H57 S58	D53-K55 PolarHBondContact O-N 3.04Å; D53-K55 WeakPolarHBondContact OD1-CA 3.32Å; D53-K55 WeakPolarHBondContact OD1-CB 3.35Å; D53-K55 PolarHBondContact OD1-N 2.9Å; D53-M56 HydrophobicContact CB-CB 4.26Å; D53-M56 PolarHBondContact O-N 3.47Å; D53-M56 PolarHBondContact OD1-N 3.46Å; D53-H57 WeakPolarHBondContact O-CA 3.08Å; D53-H57 PolarHBondContact O-N 3.23Å; D53-S58 PolarHBondContact N-O 2.94Å
54	P	82.3	Confident	90.5	Very high	84 Å²	84	67.7 Å²	67.7	55%	0.545	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.2	-176.5	27.5	-34.2	0	0	0	113.3	E52	E52-P54 VanDerWaalsContact O-CD 3.26Å; E52-P54 WeakPolarHBondContact O-CD 3.36Å
55	K	86.2	Confident	91	Very high	189 Å²	189	65.3 Å²	65.3	82%	0.822	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-45.1	177.9	-63	178.2	-177.8	171.3	0	110.5	D53	D53-K55 PolarHBondContact O-N 3.04Å; D53-K55 WeakPolarHBondContact OD1-CA 3.32Å; D53-K55 WeakPolarHBondContact OD1-CB 3.35Å; D53-K55 PolarHBondContact OD1-N 2.9Å
56	M	85	Confident	91.3	Very high	146 Å²	146	64.2 Å²	64.2	72%	0.719	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-8	-176.2	-63.4	-161.7	-176.8	0	0	114	D53 S58	D53-M56 HydrophobicContact CB-CB 4.26Å; D53-M56 PolarHBondContact O-N 3.47Å; D53-M56 PolarHBondContact OD1-N 3.46Å; M56-S58 WeakPolarHBondContact CB-OG 3.48Å; M56-S58 PolarHBondContact O-N 3.2Å; M56-S58 VanDerWaalsContact O-N 3.15Å
57	H	82.3	Confident	91.3	Very high	150 Å²	150	61.1 Å²	61.1	69%	0.694	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	32.6	-172	-60.3	73.5	0	0	0	112	D53	D53-H57 WeakPolarHBondContact O-CA 3.08Å; D53-H57 PolarHBondContact O-N 3.23Å
58	S	91.4	Very high	91.2	Very high	50 Å²	50	63 Å²	63	35%	0.35	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	169	-177.7	69.8	0	0	0	0	110.1	E52 D53 M56	E52-S58 WeakPolarHBondContact CA-O 3.35Å; D53-S58 PolarHBondContact N-O 2.94Å; M56-S58 WeakPolarHBondContact CB-OG 3.48Å; M56-S58 PolarHBondContact O-N 3.2Å; M56-S58 VanDerWaalsContact O-N 3.15Å
59	Y	92	Very high	91.1	Very high	74 Å²	74	66.7 Å²	66.7	29%	0.29	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.2	-178.2	-70.6	-86.2	0	0	0	110.1	E50 E51 E52 R84 L99	E50-Y59 HydrophobicContact CB-CD1 4.32Å; E51-Y59 CarbonylContact O-C 3.58Å; E51-Y59 WeakPolarHBondContact O-CA 3.4Å; E52-Y59 HydrophobicContact CB-CD1 4.24Å; E52-Y59 HydrophobicContact CB-CE1 3.82Å; E52-Y59 HydrophobicContact CG-CE1 4.25Å; Y59-R84 HydrophobicContact CD1-CG 4.38Å; Y59-R84 HydrophobicContact CE1-CG 4.4Å; Y59-L99 HydrophobicContact CE1-CD2 3.77Å
60	G	92.9	Very high	91.1	Very high	38 Å²	38	68.8 Å²	68.8	39%	0.392	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.6	174.6	0	0	0	0	0	111	E50 E51 I62	E50-G60 CarbonylContact C-O 3.54Å; E50-G60 VanDerWaalsContact CA-O 3.24Å; E50-G60 WeakPolarHBondContact CA-O 3.3Å; E51-G60 PolarHBondContact N-O 3.3Å; E51-G60 PolarHBondContact O-N 3.24Å; G60-I62 PolarHBondContact O-N 3.42Å
61	I	94.6	Very high	91.2	Very high	96 Å²	96	70.3 Å²	70.3	49%	0.492	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	117.7	174	-61.7	172	0	0	0	108.7	E50 Y63 T64	E50-I61 HydrophobicContact CG-CG1 3.84Å; I61-Y63 WeakPolarHBondContact CG2-O 3.4Å; I61-T64 VanDerWaalsContact CG2-OG1 3.31Å; I61-T64 WeakPolarHBondContact CG2-OG1 3.22Å
62	I	94.6	Very high	91.2	Very high	58 Å²	58	68.3 Å²	68.3	30%	0.297	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-16.6	179.6	61.1	166.3	0	0	0	113.2	I49 E51 G60 V72 F83	I49-I62 HydrophobicContact CB-CD1 4.45Å; I49-I62 HydrophobicContact CB-CG1 3.98Å; I49-I62 HydrophobicContact CG2-CD1 3.74Å; I49-I62 HydrophobicContact CG2-CG1 3.72Å; I49-I62 WeakPolarHBondContact O-CG1 3.37Å; I49-I62 PolarHBondContact O-N 3.41Å; E51-I62 HydrophobicContact CB-CD1 4.26Å; E51-I62 HydrophobicContact CB-CG2 3.87Å; G60-I62 PolarHBondContact O-N 3.42Å; I62-V72 HydrophobicContact CD1-CB 4.37Å; I62-V72 HydrophobicContact CD1-CG1 3.86Å; I62-V72 HydrophobicContact CD1-CG2 3.56Å; I62-F83 HydrophobicContact CD1-CD1 3.94Å; I62-F83 HydrophobicContact CD1-CE1 3.71Å
63	Y	95.7	Very high	91.2	Very high	43 Å²	43	73.9 Å²	73.9	17%	0.169	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	144.3	174.8	173.8	-98.8	0	0	0	110.1	W29 S48 I49 I61 G65 Y66 A67 H70	W29-Y63 AromaticContact CH2-CD1 3.85Å; W29-Y63 HydrophobicContact CH2-CD1 3.85Å; W29-Y63 AromaticContact CH2-CE1 3.89Å; W29-Y63 HydrophobicContact CH2-CE1 3.89Å; W29-Y63 HydrophobicContact CZ2-CD1 4.01Å; W29-Y63 AromaticContact CZ2-CE1 3.67Å; W29-Y63 HydrophobicContact CZ2-CE1 3.67Å; S48-Y63 CarbonylContact C-O 3.49Å; S48-Y63 WeakPolarHBondContact CA-O 3.31Å; S48-Y63 WeakPolarHBondContact CB-O 3.48Å; I49-Y63 HydrophobicContact CG1-CD1 4.3Å; I49-Y63 PolarHBondContact N-O 3.37Å; I49-Y63 PolarHBondContact O-N 3.02Å; I61-Y63 WeakPolarHBondContact CG2-O 3.4Å; Y63-G65 WeakPolarHBondContact OH-CA 3.2Å; Y63-Y66 PolarHBondContact OH-N 3.13Å; Y63-A67 WeakPolarHBondContact OH-CB 3.48Å; Y63-A67 PolarHBondContact OH-N 3.36Å; Y63-H70 HydrophobicContact CD1-CB 4.47Å; Y63-H70 HydrophobicContact CD2-CB 4.27Å; Y63-H70 AromaticContact CD2-CE1 3.9Å; Y63-H70 AromaticContact CD2-CG 3.85Å; Y63-H70 AromaticContact CD2-ND1 3.4Å; Y63-H70 WeakPolarHBondContact CD2-ND1 3.46Å; Y63-H70 HydrophobicContact CG-CB 4.14Å; Y63-H70 AromaticContact CG-CG 3.84Å; Y63-H70 AromaticContact CG-ND1 3.87Å
64	T	94.2	Very high	91.3	Very high	69 Å²	69	74.8 Å²	74.8	42%	0.423	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	131.1	164.9	-68.1	0	0	0	0	109.7	R46 F47 S48 I61	R46-T64 HydrophobicContact CG-CG2 4.04Å; F47-T64 CarbonylContact O-C 3.59Å; F47-T64 VanDerWaalsContact O-CA 3.29Å; F47-T64 WeakPolarHBondContact O-CA 3.46Å; S48-T64 WeakPolarHBondContact CB-OG1 3.45Å; S48-T64 PolarHBondContact OG-OG1 3Å; I61-T64 VanDerWaalsContact CG2-OG1 3.31Å; I61-T64 WeakPolarHBondContact CG2-OG1 3.22Å
65	G	90.8	Very high	91.9	Very high	13 Å²	13	71.5 Å²	71.5	13%	0.134	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-158.1	178.4	0	0	0	0	0	113	F47 Y63	F47-G65 PolarHBondContact N-O 3.47Å; F47-G65 PolarHBondContact O-N 2.85Å; Y63-G65 WeakPolarHBondContact OH-CA 3.2Å
66	Y	88.3	Confident	92.1	Very high	73 Å²	73	68.5 Å²	68.5	29%	0.286	37%	0.374	S	S	.	.	S	Bend	trans	-113.3	3.2	-174.9	-53.7	-79.6	0	0	0	113.2	R37 W44 F45 R46 Y63	R37-Y66 PolarHBondContact NH1-O 3.3Å; R37-Y66 PolarHBondContact NH2-O 2.92Å; W44-Y66 HydrophobicContact CB-CD1 4.07Å; W44-Y66 HydrophobicContact CB-CE1 4.18Å; W44-Y66 HydrophobicContact CE3-CD1 4.43Å; W44-Y66 HydrophobicContact CE3-CG 4.46Å; F45-Y66 WeakPolarHBondContact O-CD1 3.17Å; R46-Y66 HydrophobicContact CB-CD1 4.43Å; R46-Y66 HydrophobicContact CB-CE1 3.98Å; R46-Y66 HydrophobicContact CG-CE1 4.3Å; Y63-Y66 PolarHBondContact OH-N 3.13Å
67	A	88.6	Confident	92.4	Very high	41 Å²	41	64.1 Å²	64.1	34%	0.339	36%	0.357	S	S	.	.			trans	-69.7	157.5	174.9	0	0	0	0	0	110.1	W29 Y63	W29-A67 WeakPolarHBondContact CZ2-O 3.36Å; W29-A67 PolarHBondContact NE1-O 2.9Å; Y63-A67 WeakPolarHBondContact OH-CB 3.48Å; Y63-A67 PolarHBondContact OH-N 3.36Å
68	T	90.2	Very high	92.8	Very high	52 Å²	52	64.9 Å²	64.9	32%	0.319	35%	0.354	S	S	.	.	S	Bend	trans	-104.6	6.5	172.7	53.2	0	0	0	0	112.6	Y28 W29 D30 R37	Y28-T68 CarbonylContact C-O 3.59Å; Y28-T68 WeakPolarHBondContact CA-O 3.44Å; W29-T68 PolarHBondContact N-O 3.17Å; W29-T68 WeakPolarHBondContact O-CB 3.35Å; D30-T68 HydrophobicContact CB-CG2 3.95Å; R37-T68 VanDerWaalsContact NH2-CG2 3.33Å
69	K	92.9	Very high	92.9	Very high	81 Å²	81	64.4 Å²	64.4	35%	0.352	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.5	177.5	179.2	-174.3	178.6	165.7	0	108.4	E26 L27 Y28	E26-K69 IonicContact OE1-NZ 3.26Å; E26-K69 PolarHBondContact OE1-NZ 2.75Å; E26-K69 IonicContact OE2-NZ 2.78Å; L27-K69 CarbonylContact O-C 3.55Å; L27-K69 VanDerWaalsContact O-CA 3.3Å; L27-K69 WeakPolarHBondContact O-CA 3.14Å; Y28-K69 HydrophobicContact CD1-CB 4Å; Y28-K69 HydrophobicContact CD1-CD 4.21Å; Y28-K69 HydrophobicContact CD1-CG 3.91Å; Y28-K69 HydrophobicContact CE1-CB 4.14Å; Y28-K69 HydrophobicContact CE1-CD 3.46Å; Y28-K69 VanDerWaalsContact CE1-CD 3.46Å; Y28-K69 HydrophobicContact CE1-CG 3.67Å; Y28-K69 WeakPolarHBondContact OH-CE 3.37Å; Y28-K69 PolarHBondContact OH-NZ 3.19Å
70	H	95.9	Very high	93.1	Very high	44 Å²	44	64.8 Å²	64.8	20%	0.204	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.8	165.5	178.3	67.9	0	0	0	110	L27 W29 Y63	L27-H70 PolarHBondContact N-O 2.63Å; L27-H70 PolarHBondContact O-N 2.8Å; W29-H70 HydrophobicContact CH2-CB 3.6Å; W29-H70 HydrophobicContact CZ3-CB 3.9Å; Y63-H70 HydrophobicContact CD1-CB 4.47Å; Y63-H70 HydrophobicContact CD2-CB 4.27Å; Y63-H70 AromaticContact CD2-CE1 3.9Å; Y63-H70 AromaticContact CD2-CG 3.85Å; Y63-H70 AromaticContact CD2-ND1 3.4Å; Y63-H70 WeakPolarHBondContact CD2-ND1 3.46Å; Y63-H70 HydrophobicContact CG-CB 4.14Å; Y63-H70 AromaticContact CG-CG 3.84Å; Y63-H70 AromaticContact CG-ND1 3.87Å
71	V	97	Very high	93.2	Very high	42 Å²	42	64.1 Å²	64.1	26%	0.255	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.5	173.8	-174.5	0	0	0	0	106.7	E26 E73	E26-V71 HydrophobicContact CG-CG1 4.31Å; E26-V71 HydrophobicContact CG-CG2 3.97Å; V71-E73 HydrophobicContact CG1-CG 4.03Å
72	V	96.3	Very high	93.3	Very high	7 Å²	7	63.6 Å²	63.6	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120	172.8	-169.5	0	0	0	0	106.7	S24 I25 L27 I62 L75 F83	S24-V72 CarbonylContact C-O 3.57Å; S24-V72 WeakPolarHBondContact CA-O 3.42Å; S24-V72 VanDerWaalsContact CB-O 3.25Å; S24-V72 WeakPolarHBondContact CB-O 3.48Å; I25-V72 PolarHBondContact N-O 2.86Å; I25-V72 PolarHBondContact O-N 3.29Å; L27-V72 HydrophobicContact CD1-CG2 3.89Å; L27-V72 HydrophobicContact CG-CG2 4.49Å; I62-V72 HydrophobicContact CD1-CB 4.37Å; I62-V72 HydrophobicContact CD1-CG1 3.86Å; I62-V72 HydrophobicContact CD1-CG2 3.56Å; V72-L75 HydrophobicContact CB-CD1 4.33Å; V72-L75 HydrophobicContact CG1-CD1 4.19Å; V72-L75 HydrophobicContact CG1-CD2 3.61Å; V72-L75 HydrophobicContact CG1-CG 4.07Å; V72-F83 HydrophobicContact CG1-CE1 4.38Å; V72-F83 HydrophobicContact CG1-CZ 4.34Å; V72-F83 HydrophobicContact CG2-CE1 4.17Å; V72-F83 HydrophobicContact CG2-CZ 4.18Å
73	E	95.1	Very high	93.4	Very high	148 Å²	148	60.8 Å²	60.8	69%	0.692	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	165.1	-179.3	-63	-168.8	162.9	0	0	111.2	H23 V71 L75	H23-E73 CarbonylContact O-C 3.47Å; V71-E73 HydrophobicContact CG1-CG 4.03Å; E73-L75 VanDerWaalsContact C-N 3.34Å
74	G	91.9	Very high	93.3	Very high	73 Å²	73	61.2 Å²	61.2	75%	0.753	32%	0.32	S	S	*	.	S	Bend	trans	77.4	18.3	178.1	0	0	0	0	0	114.4	H23	H23-G74 PolarHBondContact O-N 2.96Å
75	L	93.8	Very high	93.4	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.073	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-74.3	154.4	179.4	-57.6	-178.1	0	0	0	112.1	H23 I25 V72 E73 Y81 T104	H23-L75 WeakPolarHBondContact CA-O 3.42Å; H23-L75 PolarHBondContact O-N 3.46Å; H23-L75 VanDerWaalsContact O-N 3.16Å; I25-L75 HydrophobicContact CB-CD1 3.93Å; I25-L75 HydrophobicContact CD1-CD1 3.41Å; I25-L75 VanDerWaalsContact CD1-CD1 3.41Å; I25-L75 HydrophobicContact CG1-CD1 3.52Å; V72-L75 HydrophobicContact CB-CD1 4.33Å; V72-L75 HydrophobicContact CG1-CD1 4.19Å; V72-L75 HydrophobicContact CG1-CD2 3.61Å; V72-L75 HydrophobicContact CG1-CG 4.07Å; E73-L75 VanDerWaalsContact C-N 3.34Å; L75-Y81 HydrophobicContact CB-CE2 3.82Å; L75-Y81 HydrophobicContact CD1-CD2 4.19Å; L75-Y81 HydrophobicContact CD1-CE2 4.22Å; L75-Y81 HydrophobicContact CD2-CD1 4.07Å; L75-Y81 HydrophobicContact CD2-CD2 4.43Å; L75-Y81 HydrophobicContact CD2-CE1 3.69Å; L75-Y81 HydrophobicContact CD2-CE2 4.07Å; L75-Y81 HydrophobicContact CD2-CG 4.43Å; L75-Y81 HydrophobicContact CG-CE2 4.27Å; L75-T104 HydrophobicContact CB-CG2 3.74Å; L75-T104 HydrophobicContact CD1-CG2 3.83Å; L75-T104 HydrophobicContact CG-CG2 4.47Å
76	E	91.2	Very high	93.5	Very high	126 Å²	126	59.3 Å²	59.3	59%	0.589	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-81.6	139.3	175	-66.3	-176.5	161.9	0	0	111	H22 T79 Y81 T104	H22-E76 CarbonylContact O-C 3.5Å; E76-T79 WeakPolarHBondContact CB-OG1 3.42Å; E76-T79 WeakPolarHBondContact O-CB 3.36Å; E76-Y81 PolarHBondContact N-OH 3.27Å; E76-T104 WeakPolarHBondContact O-CB 3.19Å; E76-T104 PolarHBondContact O-OG1 3.43Å
77	P	90.5	Very high	93.6	Very high	54 Å²	54	57 Å²	57	35%	0.351	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	145	175.5	-21.7	32.2	0	0	0	113.3	H22 T79 T104 E107	H22-P77 HydrophobicContact CB-CB 4.09Å; H22-P77 HydrophobicContact CB-CG 4.17Å; H22-P77 WeakPolarHBondContact O-CA 3.49Å; H22-P77 WeakPolarHBondContact O-CG 3.26Å; P77-T79 PolarHBondContact O-N 3.11Å; P77-T104 WeakPolarHBondContact CA-OG1 3.31Å; P77-E107 HydrophobicContact CB-CB 4.41Å; P77-E107 HydrophobicContact CG-CB 4.31Å
78	R	91.1	Very high	93.7	Very high	167 Å²	167	55.5 Å²	55.5	63%	0.63	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	25.1	-178.3	-57.7	179.3	164.1	-169.9	-7	114.5	T104 T105 R106	R78-T104 PolarHBondContact N-OG1 2.91Å; R78-T105 PolarHBondContact N-O 2.86Å; R78-R106 HydrophobicContact CG-CB 4.36Å; R78-R106 VanDerWaalsContact NH2-CD 3.29Å
79	T	93.4	Very high	93.4	Very high	39 Å²	39	53.8 Å²	53.8	24%	0.239	27%	0.273	C	S	.	.			trans	-105.3	137.2	-179.7	-61.1	0	0	0	0	109.8	E76 P77 Y81 S103 T104	E76-T79 WeakPolarHBondContact CB-OG1 3.42Å; E76-T79 WeakPolarHBondContact O-CB 3.36Å; P77-T79 PolarHBondContact O-N 3.11Å; T79-Y81 HydrophobicContact CG2-CD2 4.27Å; T79-Y81 HydrophobicContact CG2-CE1 4.35Å; T79-Y81 HydrophobicContact CG2-CE2 3.63Å; T79-Y81 WeakPolarHBondContact O-CD2 3.37Å; T79-S103 VanDerWaalsContact O-CA 3.28Å; T79-S103 WeakPolarHBondContact O-CA 3.37Å; T79-T104 PolarHBondContact N-OG1 3.44Å; T79-T104 VanDerWaalsContact N-OG1 3.07Å; T79-T104 PolarHBondContact O-N 3.01Å; T79-T104 PolarHBondContact O-OG1 3.16Å
80	L	95.4	Very high	92.7	Very high	83 Å²	83	53.2 Å²	53.2	44%	0.435	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124	174.4	177.8	68.8	0	0	0	109.4	S103	L80-S103 WeakPolarHBondContact CD1-OG 3.01Å
81	Y	95.8	Very high	92.1	Very high	24 Å²	24	55.5 Å²	55.5	9%	0.094	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.2	174.3	-67.9	-85.5	0	0	0	110.5	I25 E51 L75 E76 T79 F83 S101 V102 T104	I25-Y81 HydrophobicContact CD1-CD2 4.19Å; E51-Y81 WeakPolarHBondContact OE1-CD1 3.25Å; E51-Y81 VanDerWaalsContact OE1-CE1 3.31Å; E51-Y81 WeakPolarHBondContact OE1-CE1 3.47Å; L75-Y81 HydrophobicContact CB-CE2 3.82Å; L75-Y81 HydrophobicContact CD1-CD2 4.19Å; L75-Y81 HydrophobicContact CD1-CE2 4.22Å; L75-Y81 HydrophobicContact CD2-CD1 4.07Å; L75-Y81 HydrophobicContact CD2-CD2 4.43Å; L75-Y81 HydrophobicContact CD2-CE1 3.69Å; L75-Y81 HydrophobicContact CD2-CE2 4.07Å; L75-Y81 HydrophobicContact CD2-CG 4.43Å; L75-Y81 HydrophobicContact CG-CE2 4.27Å; E76-Y81 PolarHBondContact N-OH 3.27Å; T79-Y81 HydrophobicContact CG2-CD2 4.27Å; T79-Y81 HydrophobicContact CG2-CE1 4.35Å; T79-Y81 HydrophobicContact CG2-CE2 3.63Å; T79-Y81 WeakPolarHBondContact O-CD2 3.37Å; Y81-F83 HydrophobicContact CD1-CZ 4.4Å; Y81-F83 HydrophobicContact CG-CZ 4.16Å; Y81-S101 WeakPolarHBondContact O-CA 3.41Å; Y81-V102 PolarHBondContact N-O 3.1Å; Y81-V102 PolarHBondContact O-N 3.38Å; Y81-T104 HydrophobicContact CD2-CG2 4.05Å; Y81-T104 HydrophobicContact CE2-CG2 3.85Å
82	R	96.4	Very high	91.2	Very high	84 Å²	84	55.8 Å²	55.8	32%	0.317	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.8	172.8	-54.9	-160.2	-176.2	84.6	0.8	110.6	E52 L99 V100 S101	E52-R82 HydrophobicContact CB-CB 4.04Å; E52-R82 PolarHBondContact N-O 3.02Å; E52-R82 WeakPolarHBondContact OE2-CD 3.35Å; E52-R82 IonicContact OE2-CZ 3.22Å; E52-R82 IonicContact OE2-NE 3.99Å; E52-R82 IonicContact OE2-NH1 3.96Å; E52-R82 PolarHBondContact OE2-NH1 3.5Å; R82-L99 HydrophobicContact CB-CD2 4.28Å; R82-V100 CarbonylContact C-O 3.6Å; R82-V100 VanDerWaalsContact CA-O 3.26Å; R82-V100 WeakPolarHBondContact CA-O 3.31Å; R82-S101 WeakPolarHBondContact CD-OG 3.32Å; R82-S101 PolarHBondContact NE-OG 2.66Å
83	F	96.3	Very high	90.7	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.2	-178.7	-54.2	-73.4	0	0	0	111.1	P15 I25 L27 I49 E50 E51 I62 V72 Y81 L99 V100 V102	P15-F83 HydrophobicContact CG-CB 4.5Å; I25-F83 HydrophobicContact CD1-CE2 3.92Å; I25-F83 HydrophobicContact CD1-CZ 4.35Å; I25-F83 HydrophobicContact CG2-CE2 4.3Å; L27-F83 HydrophobicContact CD1-CB 4.14Å; L27-F83 HydrophobicContact CD1-CD1 4.28Å; L27-F83 HydrophobicContact CD1-CD2 3.93Å; L27-F83 HydrophobicContact CD1-CE2 4.4Å; L27-F83 HydrophobicContact CD1-CG 3.85Å; L27-F83 HydrophobicContact CD2-CD2 4.24Å; I49-F83 HydrophobicContact CG2-CB 4.28Å; I49-F83 HydrophobicContact CG2-CD1 4.15Å; E50-F83 CarbonylContact O-C 3.55Å; E50-F83 VanDerWaalsContact O-CA 3.28Å; E50-F83 WeakPolarHBondContact O-CA 3.48Å; E51-F83 HydrophobicContact CB-CD1 3.96Å; E51-F83 HydrophobicContact CB-CE1 3.9Å; E51-F83 HydrophobicContact CG-CD1 4.17Å; E51-F83 HydrophobicContact CG-CE1 3.77Å; I62-F83 HydrophobicContact CD1-CD1 3.94Å; I62-F83 HydrophobicContact CD1-CE1 3.71Å; V72-F83 HydrophobicContact CG1-CE1 4.38Å; V72-F83 HydrophobicContact CG1-CZ 4.34Å; V72-F83 HydrophobicContact CG2-CE1 4.17Å; V72-F83 HydrophobicContact CG2-CZ 4.18Å; Y81-F83 HydrophobicContact CD1-CZ 4.4Å; Y81-F83 HydrophobicContact CG-CZ 4.16Å; F83-L99 CarbonylContact O-C 3.59Å; F83-L99 WeakPolarHBondContact O-CA 3.47Å; F83-V100 HydrophobicContact CB-CG1 3.95Å; F83-V100 HydrophobicContact CD2-CG1 4.44Å; F83-V100 PolarHBondContact N-O 3.1Å; F83-V100 PolarHBondContact O-N 2.8Å; F83-V102 HydrophobicContact CD2-CG1 3.92Å; F83-V102 HydrophobicContact CE2-CG1 3.76Å
84	R	95.2	Very high	90.3	Very high	52 Å²	52	57.7 Å²	57.7	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.7	165	64.9	-176.6	-172.2	-168.6	2.3	110.8	E50 Y59 L99	E50-R84 HydrophobicContact CB-CG 3.92Å; E50-R84 PolarHBondContact N-O 2.66Å; E50-R84 PolarHBondContact O-N 3.09Å; E50-R84 IonicContact OE2-CZ 2.66Å; E50-R84 IonicContact OE2-NE 2.83Å; E50-R84 PolarHBondContact OE2-NE 2.82Å; E50-R84 IonicContact OE2-NH2 3.9Å; E50-R84 PolarHBondContact OE2-NH2 3.37Å; Y59-R84 HydrophobicContact CD1-CG 4.38Å; Y59-R84 HydrophobicContact CE1-CG 4.4Å; R84-L99 HydrophobicContact CB-CD2 4.05Å; R84-L99 HydrophobicContact CG-CD2 4.46Å
85	L	94.8	Very high	90.2	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.4	173.2	-179.9	69.6	0	0	0	109.1	P12 P15 W29 F47 I49 V87 Y96 S97	P12-L85 HydrophobicContact CB-CD2 4.45Å; P15-L85 HydrophobicContact CG-CB 4.43Å; W29-L85 HydrophobicContact CB-CD1 4.41Å; W29-L85 HydrophobicContact CB-CD2 3.65Å; W29-L85 HydrophobicContact CD2-CD1 3.89Å; W29-L85 HydrophobicContact CE3-CD1 4.44Å; W29-L85 HydrophobicContact CG-CD1 3.87Å; W29-L85 HydrophobicContact CG-CD2 3.9Å; F47-L85 HydrophobicContact CB-CD1 4.18Å; F47-L85 HydrophobicContact CD1-CD1 4.12Å; I49-L85 HydrophobicContact CD1-CB 4.38Å; I49-L85 HydrophobicContact CD1-CD1 3.64Å; L85-V87 HydrophobicContact CD2-CG2 3.9Å; L85-V87 HydrophobicContact CG-CG2 3.99Å; L85-Y96 CarbonylContact O-C 3.58Å; L85-Y96 WeakPolarHBondContact O-CA 3.42Å; L85-S97 PolarHBondContact N-OG 2.92Å; L85-S97 PolarHBondContact O-N 3.43Å; L85-S97 PolarHBondContact O-OG 3.07Å
86	K	93.7	Very high	90.1	Very high	37 Å²	37	60.8 Å²	60.8	16%	0.161	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.8	166.4	176.8	-175.8	-175.8	165.5	0	108.7	F47 S48 C94 E95 Y96	F47-K86 WeakPolarHBondContact CA-O 3.41Å; S48-K86 PolarHBondContact N-O 2.79Å; S48-K86 PolarHBondContact O-N 3.44Å; K86-C94 VanDerWaalsContact CE-SG 3.58Å; K86-E95 CarbonylContact C-O 3.53Å; K86-E95 WeakPolarHBondContact CA-O 3.31Å; K86-Y96 HydrophobicContact CB-CD1 3.89Å; K86-Y96 HydrophobicContact CB-CE1 3.8Å; K86-Y96 HydrophobicContact CD-CE1 3.64Å; K86-Y96 WeakPolarHBondContact CE-OH 3.44Å; K86-Y96 HydrophobicContact CG-CD1 4.13Å; K86-Y96 HydrophobicContact CG-CE1 3.71Å; K86-Y96 PolarHBondContact NZ-OH 3.16Å; K86-Y96 VanDerWaalsContact NZ-OH 3.13Å
87	V	90.6	Very high	90.2	Very high	23 Å²	23	55.2 Å²	55.2	14%	0.139	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.1	175.8	-174.7	0	0	0	0	108	P12 F45 F47 L85 C94 E95	P12-V87 HydrophobicContact CB-CG2 3.65Å; P12-V87 HydrophobicContact CG-CB 4.5Å; P12-V87 HydrophobicContact CG-CG2 3.9Å; F45-V87 HydrophobicContact CB-CG1 4.23Å; F45-V87 HydrophobicContact CD1-CG1 3.67Å; F45-V87 HydrophobicContact CE1-CG1 4.49Å; F45-V87 HydrophobicContact CG-CG1 4.32Å; F47-V87 HydrophobicContact CD1-CG1 4.33Å; F47-V87 HydrophobicContact CD1-CG2 3.95Å; F47-V87 HydrophobicContact CE1-CG1 4.05Å; F47-V87 HydrophobicContact CE1-CG2 4.01Å; L85-V87 HydrophobicContact CD2-CG2 3.9Å; L85-V87 HydrophobicContact CG-CG2 3.99Å; V87-C94 WeakPolarHBondContact O-CA 3.31Å; V87-E95 PolarHBondContact N-O 3.03Å; V87-E95 PolarHBondContact O-N 2.83Å
88	T	89.3	Confident	90.4	Very high	10 Å²	10	56.3 Å²	56.3	6%	0.061	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.3	175.3	-57.1	0	0	0	0	109.3	F45 R46 E93 C94	F45-T88 WeakPolarHBondContact CA-O 3.37Å; R46-T88 PolarHBondContact N-O 3.24Å; R46-T88 PolarHBondContact O-N 3.28Å; T88-E93 CarbonylContact C-O 3.55Å; T88-E93 VanDerWaalsContact CA-O 3.31Å; T88-E93 WeakPolarHBondContact CA-O 3.44Å; T88-C94 PolarHBondContact OG1-SG 3.05Å
89	S	84	Confident	90.5	Very high	17 Å²	17	51.7 Å²	51.7	12%	0.119	29%	0.285	C	S	.	.			trans	-72.6	163.7	174.6	72.9	0	0	0	0	111.5	S91 G92 E93	S89-S91 PolarHBondContact O-N 3.41Å; S89-S91 PolarHBondContact OG-N 3.2Å; S89-S91 PolarHBondContact OG-OG 3.15Å; S89-G92 PolarHBondContact O-N 3.23Å; S89-G92 PolarHBondContact OG-N 3.27Å; S89-E93 PolarHBondContact N-O 3.45Å; S89-E93 WeakPolarHBondContact OG-CB 3.43Å; S89-E93 PolarHBondContact OG-N 3.39Å; S89-E93 VanDerWaalsContact OG-N 3.09Å; S89-E93 PolarHBondContact OG-O 3.01Å
90	P	79.7	Confident	90.6	Very high	69 Å²	69	51.2 Å²	51.2	45%	0.448	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.4	172.2	-26	36.3	0	0	0	113.9	Q43 G92	Q43-P90 VanDerWaalsContact C-CG 3.44Å; Q43-P90 WeakPolarHBondContact O-CG 3.37Å; P90-G92 PolarHBondContact O-N 2.71Å
91	S	81.8	Confident	90.6	Very high	91 Å²	91	50.5 Å²	50.5	64%	0.636	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-5.2	174.7	54	0	0	0	0	113.5	S89	S89-S91 PolarHBondContact O-N 3.41Å; S89-S91 PolarHBondContact OG-N 3.2Å; S89-S91 PolarHBondContact OG-OG 3.15Å
92	G	79.8	Confident	90.6	Very high	49 Å²	49	50.1 Å²	50.1	51%	0.505	28%	0.283	S	S	.	.	S	Bend	trans	89.8	-1	-179.8	0	0	0	0	0	114.7	S89 P90	S89-G92 PolarHBondContact O-N 3.23Å; S89-G92 PolarHBondContact OG-N 3.27Å; P90-G92 PolarHBondContact O-N 2.71Å
93	E	85.8	Confident	90.6	Very high	138 Å²	138	49.2 Å²	49.2	65%	0.645	29%	0.29	S	S	*	.			trans	-67.9	137	175.2	-61.8	175.2	158.3	0	0	110	T88 S89	T88-E93 CarbonylContact C-O 3.55Å; T88-E93 VanDerWaalsContact CA-O 3.31Å; T88-E93 WeakPolarHBondContact CA-O 3.44Å; S89-E93 PolarHBondContact N-O 3.45Å; S89-E93 WeakPolarHBondContact OG-CB 3.43Å; S89-E93 PolarHBondContact OG-N 3.39Å; S89-E93 VanDerWaalsContact OG-N 3.09Å; S89-E93 PolarHBondContact OG-O 3.01Å
94	C	86.6	Confident	90.6	Very high	56 Å²	56	49.5 Å²	49.5	38%	0.378	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.6	-176	-67.3	0	0	0	0	110.9	K86 V87 T88	K86-C94 VanDerWaalsContact CE-SG 3.58Å; V87-C94 WeakPolarHBondContact O-CA 3.31Å; T88-C94 PolarHBondContact OG1-SG 3.05Å
95	E	89.4	Confident	90.3	Very high	64 Å²	64	50.1 Å²	50.1	30%	0.299	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.2	173.1	-64	-168.7	173.8	0	0	111.5	P9 P12 K86 V87	P9-E95 WeakPolarHBondContact CG-OE1 3.27Å; P12-E95 WeakPolarHBondContact CD-OE2 3.39Å; P12-E95 HydrophobicContact CG-CB 4.13Å; K86-E95 CarbonylContact C-O 3.53Å; K86-E95 WeakPolarHBondContact CA-O 3.31Å; V87-E95 PolarHBondContact N-O 3.03Å; V87-E95 PolarHBondContact O-N 2.83Å
96	Y	91.9	Very high	89.8	Confident	89 Å²	89	57 Å²	57	35%	0.349	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.6	-179.3	-62.3	-92.5	0	0	0	110.8	E50 L85 K86	E50-Y96 WeakPolarHBondContact OE2-CE1 3.34Å; L85-Y96 CarbonylContact O-C 3.58Å; L85-Y96 WeakPolarHBondContact O-CA 3.42Å; K86-Y96 HydrophobicContact CB-CD1 3.89Å; K86-Y96 HydrophobicContact CB-CE1 3.8Å; K86-Y96 HydrophobicContact CD-CE1 3.64Å; K86-Y96 WeakPolarHBondContact CE-OH 3.44Å; K86-Y96 HydrophobicContact CG-CD1 4.13Å; K86-Y96 HydrophobicContact CG-CE1 3.71Å; K86-Y96 PolarHBondContact NZ-OH 3.16Å; K86-Y96 VanDerWaalsContact NZ-OH 3.13Å
97	S	93.4	Very high	89.2	Confident	9 Å²	9	59.8 Å²	59.8	6%	0.063	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-76.4	163.5	170	76.2	0	0	0	0	111.1	P12 H13 L85	P12-S97 VanDerWaalsContact O-CA 3.26Å; P12-S97 WeakPolarHBondContact O-CA 3.4Å; P12-S97 WeakPolarHBondContact O-CB 3.5Å; H13-S97 WeakPolarHBondContact O-CB 3.29Å; L85-S97 PolarHBondContact N-OG 2.92Å; L85-S97 PolarHBondContact O-N 3.43Å; L85-S97 PolarHBondContact O-OG 3.07Å
98	P	93.7	Very high	88.6	Confident	77 Å²	77	62.4 Å²	62.4	50%	0.5	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-54.5	164	157.5	-22.7	34.2	0	0	0	112.2
99	L	93.2	Very high	88.2	Confident	70 Å²	70	64.8 Å²	64.8	37%	0.366	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-74.5	142.2	174.9	-67.9	163.7	0	0	0	111	Y59 R82 F83 R84	Y59-L99 HydrophobicContact CE1-CD2 3.77Å; R82-L99 HydrophobicContact CB-CD2 4.28Å; F83-L99 CarbonylContact O-C 3.59Å; F83-L99 WeakPolarHBondContact O-CA 3.47Å; R84-L99 HydrophobicContact CB-CD2 4.05Å; R84-L99 HydrophobicContact CG-CD2 4.46Å
100	V	95.6	Very high	88.3	Confident	28 Å²	28	65.8 Å²	65.8	17%	0.17	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.1	159.9	69.6	0	0	0	0	108.8	P14 P15 V17 R82 F83	P14-V100 HydrophobicContact CB-CB 4.34Å; P15-V100 HydrophobicContact CG-CG1 3.8Å; V17-V100 HydrophobicContact CG2-CG1 4.39Å; V17-V100 HydrophobicContact CG2-CG2 3.68Å; R82-V100 CarbonylContact C-O 3.6Å; R82-V100 VanDerWaalsContact CA-O 3.26Å; R82-V100 WeakPolarHBondContact CA-O 3.31Å; F83-V100 HydrophobicContact CB-CG1 3.95Å; F83-V100 HydrophobicContact CD2-CG1 4.44Å; F83-V100 PolarHBondContact N-O 3.1Å; F83-V100 PolarHBondContact O-N 2.8Å
101	S	96.2	Very high	88.6	Confident	69 Å²	69	64.2 Å²	64.2	48%	0.483	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.3	177.6	-64.9	0	0	0	0	109.4	Y81 R82	Y81-S101 WeakPolarHBondContact O-CA 3.41Å; R82-S101 WeakPolarHBondContact CD-OG 3.32Å; R82-S101 PolarHBondContact NE-OG 2.66Å
102	V	96.3	Very high	89	Confident	15 Å²	15	64.9 Å²	64.9	9%	0.091	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	136.7	-177.3	45.2	0	0	0	0	109.8	V17 V20 I25 Y81 F83	V17-V102 HydrophobicContact CG1-CB 4.29Å; V17-V102 HydrophobicContact CG1-CG2 3.76Å; V17-V102 HydrophobicContact CG2-CB 3.98Å; V17-V102 HydrophobicContact CG2-CG1 3.99Å; V17-V102 HydrophobicContact CG2-CG2 4.36Å; V20-V102 HydrophobicContact CG1-CG2 4.39Å; V20-V102 HydrophobicContact CG2-CG2 3.7Å; I25-V102 HydrophobicContact CD1-CB 4.38Å; I25-V102 HydrophobicContact CD1-CG1 3.72Å; I25-V102 HydrophobicContact CD1-CG2 3.87Å; I25-V102 HydrophobicContact CG1-CG2 4.25Å; I25-V102 HydrophobicContact CG2-CG1 4.11Å; I25-V102 HydrophobicContact CG2-CG2 4.35Å; Y81-V102 PolarHBondContact N-O 3.1Å; Y81-V102 PolarHBondContact O-N 3.38Å; F83-V102 HydrophobicContact CD2-CG1 3.92Å; F83-V102 HydrophobicContact CE2-CG1 3.76Å
103	S	96.4	Very high	89.6	Confident	66 Å²	66	64.5 Å²	64.5	46%	0.462	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.2	176.8	-61.5	0	0	0	0	111.1	V20 T79 L80	V20-S103 WeakPolarHBondContact CG1-O 3.44Å; T79-S103 VanDerWaalsContact O-CA 3.28Å; T79-S103 WeakPolarHBondContact O-CA 3.37Å; L80-S103 WeakPolarHBondContact CD1-OG 3.01Å
104	T	94.4	Very high	90	Very high	5 Å²	5	58 Å²	58	3%	0.031	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63.4	151.8	170.7	53.7	0	0	0	0	111.1	T21 I25 L75 E76 P77 R78 T79 Y81	T21-T104 WeakPolarHBondContact O-CA 3.34Å; T21-T104 WeakPolarHBondContact O-CB 3.23Å; I25-T104 HydrophobicContact CD1-CG2 4.07Å; I25-T104 HydrophobicContact CG1-CG2 4.29Å; L75-T104 HydrophobicContact CB-CG2 3.74Å; L75-T104 HydrophobicContact CD1-CG2 3.83Å; L75-T104 HydrophobicContact CG-CG2 4.47Å; E76-T104 WeakPolarHBondContact O-CB 3.19Å; E76-T104 PolarHBondContact O-OG1 3.43Å; P77-T104 WeakPolarHBondContact CA-OG1 3.31Å; R78-T104 PolarHBondContact N-OG1 2.91Å; T79-T104 PolarHBondContact N-OG1 3.44Å; T79-T104 VanDerWaalsContact N-OG1 3.07Å; T79-T104 PolarHBondContact O-N 3.01Å; T79-T104 PolarHBondContact O-OG1 3.16Å; Y81-T104 HydrophobicContact CD2-CG2 4.05Å; Y81-T104 HydrophobicContact CE2-CG2 3.85Å
105	T	89.6	Confident	90.4	Very high	65 Å²	65	55.8 Å²	55.8	40%	0.399	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-73.5	167.5	179	65.2	0	0	0	0	111.5	V20 T21 H22 R78	V20-T105 HydrophobicContact CG1-CG2 4.24Å; T21-T105 PolarHBondContact O-N 3.06Å; H22-T105 WeakPolarHBondContact CA-O 3.16Å; H22-T105 VanDerWaalsContact CB-O 3.29Å; H22-T105 WeakPolarHBondContact CB-O 3.15Å; H22-T105 PolarHBondContact N-OG1 3.3Å; H22-T105 VanDerWaalsContact N-OG1 3.09Å; R78-T105 PolarHBondContact N-O 2.86Å
106	R	84.6	Confident	90.7	Very high	151 Å²	151	59.7 Å²	59.7	57%	0.57	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-62.9	143.6	166.8	-170.9	-171.8	-168.2	168.7	0.4	109.7	R78	R78-R106 HydrophobicContact CG-CB 4.36Å; R78-R106 VanDerWaalsContact NH2-CD 3.29Å
107	E	80.4	Confident	90.9	Very high	95 Å²	95	55.4 Å²	55.4	44%	0.444	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-58	127	167.3	-169.4	172.8	-174.3	0	0	110.6	H22 P77 I109	H22-E107 HydrophobicContact CB-CB 4.43Å; P77-E107 HydrophobicContact CB-CB 4.41Å; P77-E107 HydrophobicContact CG-CB 4.31Å; E107-I109 PolarHBondContact O-N 2.81Å
108	P	77.8	Confident	91.1	Very high	78 Å²	78	55 Å²	55	51%	0.506	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-61.1	136.6	176.7	-20.5	31	0	0	0	110.6	H22 S110	H22-P108 VanDerWaalsContact ND1-CD 3.34Å; H22-P108 WeakPolarHBondContact ND1-CD 3.44Å; P108-S110 PolarHBondContact O-N 3.31Å; P108-S110 VanDerWaalsContact O-N 3.15Å
109	I	82.1	Confident	91.3	Very high	59 Å²	59	54.6 Å²	54.6	30%	0.303	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-66.5	118.5	172.7	-56.2	178.7	0	0	0	107.8	E107 H113 I129 V135	E107-I109 PolarHBondContact O-N 2.81Å; I109-H113 HydrophobicContact CG2-CB 4.14Å; I109-I129 HydrophobicContact CG2-CB 4.12Å; I109-I129 HydrophobicContact CG2-CD1 4.42Å; I109-I129 HydrophobicContact CG2-CG1 3.72Å; I109-I129 HydrophobicContact CG2-CG2 3.74Å; I109-V135 HydrophobicContact CB-CG2 4.27Å; I109-V135 HydrophobicContact CG2-CG2 3.74Å; I109-V135 WeakPolarHBondContact O-CG2 3.37Å
110	S	85.5	Confident	91.4	Very high	39 Å²	39	55.9 Å²	55.9	27%	0.273	30%	0.296	S	S	.	.			trans	-106.5	170	-177.8	73.4	0	0	0	0	112.2	P108 E112 H113 L114	P108-S110 PolarHBondContact O-N 3.31Å; P108-S110 VanDerWaalsContact O-N 3.15Å; S110-E112 PolarHBondContact O-N 2.99Å; S110-E112 PolarHBondContact OG-N 3.4Å; S110-H113 PolarHBondContact N-ND1 3.18Å; S110-H113 VanDerWaalsContact N-ND1 3.2Å; S110-H113 WeakPolarHBondContact O-CB 2.89Å; S110-H113 PolarHBondContact O-N 3.32Å; S110-H113 VanDerWaalsContact O-N 3.1Å; S110-H113 PolarHBondContact OG-ND1 3.21Å; S110-L114 PolarHBondContact O-N 3.5Å
111	S	86.3	Confident	91.5	Very high	36 Å²	36	57.4 Å²	57.4	25%	0.252	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-26.2	170.7	53.8	0	0	0	0	112.6	H113 L114 H115	S111-H113 VanDerWaalsContact C-N 3.29Å; S111-H113 PolarHBondContact O-N 3.16Å; S111-L114 WeakPolarHBondContact O-CB 3.32Å; S111-L114 PolarHBondContact O-N 3.06Å; S111-H115 PolarHBondContact O-CD2 3.22Å; S111-H115 PolarHBondContact O-N 3.32Å
112	E	89.6	Confident	91.6	Very high	105 Å²	105	56.8 Å²	56.8	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-35.6	174.6	-62.4	-166.7	149.7	0	0	112	S110 L114 H115 R116 K142	S110-E112 PolarHBondContact O-N 2.99Å; S110-E112 PolarHBondContact OG-N 3.4Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-H115 PolarHBondContact O-N 3.4Å; E112-R116 WeakPolarHBondContact O-CB 3.39Å; E112-R116 PolarHBondContact O-N 2.84Å; E112-K142 IonicContact OE1-NZ 2.68Å
113	H	91.9	Very high	91.6	Very high	41 Å²	41	59.4 Å²	59.4	19%	0.19	31%	0.306	C	S	.	.	H	α-helix	trans	-65.6	-39.4	174.2	-64.8	88.4	0	0	0	111.2	I109 S110 S111 R116 A117 I129	I109-H113 HydrophobicContact CG2-CB 4.14Å; S110-H113 PolarHBondContact N-ND1 3.18Å; S110-H113 VanDerWaalsContact N-ND1 3.2Å; S110-H113 WeakPolarHBondContact O-CB 2.89Å; S110-H113 PolarHBondContact O-N 3.32Å; S110-H113 VanDerWaalsContact O-N 3.1Å; S110-H113 PolarHBondContact OG-ND1 3.21Å; S111-H113 VanDerWaalsContact C-N 3.29Å; S111-H113 PolarHBondContact O-N 3.16Å; H113-R116 PolarHBondContact O-N 3.4Å; H113-A117 PolarHBondContact O-N 3.3Å; H113-I129 VanDerWaalsContact C-CD1 3.49Å; H113-I129 HydrophobicContact CB-CD1 3.81Å; H113-I129 WeakPolarHBondContact O-CD1 3.45Å
114	L	94.8	Very high	91.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-50.4	175	-175.9	77.9	0	0	0	110.9	S110 S111 E112 R116 A117 V118 L126 I129 L130 V135 A147	S110-L114 PolarHBondContact O-N 3.5Å; S111-L114 WeakPolarHBondContact O-CB 3.32Å; S111-L114 PolarHBondContact O-N 3.06Å; E112-L114 VanDerWaalsContact C-N 3.34Å; L114-R116 VanDerWaalsContact C-N 3.32Å; L114-R116 PolarHBondContact O-N 2.85Å; L114-A117 PolarHBondContact O-N 3.27Å; L114-V118 PolarHBondContact O-N 3.47Å; L114-V118 VanDerWaalsContact O-N 3.11Å; L114-L126 HydrophobicContact CD1-CD1 3.29Å; L114-L126 HydrophobicContact CG-CD1 4.34Å; L114-I129 HydrophobicContact CB-CG2 4.24Å; L114-I129 HydrophobicContact CD1-CG2 3.84Å; L114-L130 HydrophobicContact CD1-CD2 3.82Å; L114-L130 HydrophobicContact CD1-CG 4.28Å; L114-V135 HydrophobicContact CB-CG1 4.14Å; L114-V135 HydrophobicContact CD2-CG1 4.17Å; L114-A147 HydrophobicContact CD2-CB 3.88Å; L114-A147 HydrophobicContact CG-CB 4.16Å
115	H	96	Very high	91.6	Very high	11 Å²	11	64 Å²	64	5%	0.051	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-39.1	177.2	-77.9	-67.3	0	0	0	112.4	S111 E112 V118 N119 V139 N141 F145 A147	S111-H115 PolarHBondContact O-CD2 3.22Å; S111-H115 PolarHBondContact O-N 3.32Å; E112-H115 PolarHBondContact O-N 3.4Å; H115-V118 PolarHBondContact O-N 3.03Å; H115-N119 VanDerWaalsContact O-CB 3.3Å; H115-N119 WeakPolarHBondContact O-CB 3.31Å; H115-N119 VanDerWaalsContact O-CG 3.29Å; H115-N119 PolarHBondContact O-N 3.03Å; H115-N119 PolarHBondContact O-ND2 3.48Å; H115-N119 VanDerWaalsContact O-ND2 3.12Å; H115-V139 PolarHBondContact CE1-O 3.3Å; H115-V139 PolarHBondContact NE2-O 2.87Å; H115-N141 PolarHBondContact NE2-N 3.14Å; H115-F145 PolarHBondContact CE1-O 3.33Å; H115-A147 PolarHBondContact CE1-N 2.99Å
116	R	95.1	Very high	91.9	Very high	145 Å²	145	61 Å²	61	55%	0.547	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-48.4	175.8	-173	-179.1	-61.3	165.3	4.4	111.2	E112 H113 L114 V118 N119 V120	E112-R116 WeakPolarHBondContact O-CB 3.39Å; E112-R116 PolarHBondContact O-N 2.84Å; H113-R116 PolarHBondContact O-N 3.4Å; L114-R116 VanDerWaalsContact C-N 3.32Å; L114-R116 PolarHBondContact O-N 2.85Å; R116-V118 VanDerWaalsContact C-N 3.32Å; R116-V118 PolarHBondContact O-N 3.23Å; R116-N119 PolarHBondContact O-N 3.28Å; R116-V120 WeakPolarHBondContact O-CG2 3.48Å; R116-V120 PolarHBondContact O-N 3.49Å
117	A	96.5	Very high	92.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.4	-46.6	178.5	0	0	0	0	0	111.4	H113 L114 N121 D122 L125 L126 I129	H113-A117 PolarHBondContact O-N 3.3Å; L114-A117 PolarHBondContact O-N 3.27Å; A117-N121 PolarHBondContact O-N 2.74Å; A117-D122 PolarHBondContact O-N 2.99Å; A117-L125 HydrophobicContact CB-CB 4.1Å; A117-L125 HydrophobicContact CB-CD2 3.84Å; A117-L125 HydrophobicContact CB-CG 3.82Å; A117-L126 HydrophobicContact CB-CB 4.24Å; A117-I129 HydrophobicContact CB-CD1 4.13Å
118	V	97.8	Very high	92.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-41.8	177.3	175.1	0	0	0	0	112.3	L114 H115 R116 V120 N121 L126 A147 V150 A151 Y156 L159 L163	L114-V118 PolarHBondContact O-N 3.47Å; L114-V118 VanDerWaalsContact O-N 3.11Å; H115-V118 PolarHBondContact O-N 3.03Å; R116-V118 VanDerWaalsContact C-N 3.32Å; R116-V118 PolarHBondContact O-N 3.23Å; V118-V120 VanDerWaalsContact C-N 3.27Å; V118-V120 PolarHBondContact O-N 2.99Å; V118-N121 PolarHBondContact O-N 3.34Å; V118-N121 VanDerWaalsContact O-N 3.13Å; V118-L126 HydrophobicContact CG2-CD1 4.23Å; V118-L126 HydrophobicContact CG2-CD2 4.43Å; V118-A147 HydrophobicContact CG2-CB 4.1Å; V118-V150 HydrophobicContact CG1-CB 4.07Å; V118-V150 HydrophobicContact CG1-CG1 3.95Å; V118-A151 HydrophobicContact CG1-CB 3.83Å; V118-Y156 WeakPolarHBondContact O-CE2 3.39Å; V118-L159 HydrophobicContact CB-CD1 4.27Å; V118-L159 HydrophobicContact CG1-CD1 4.15Å; V118-L159 HydrophobicContact CG2-CD1 4.27Å; V118-L163 HydrophobicContact CG2-CD1 4.23Å
119	N	96.5	Very high	93.6	Very high	68 Å²	68	55.1 Å²	55.1	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-35.7	-177.6	-87.3	-37.1	0	0	0	113.5	H115 R116 V150 K154	H115-N119 VanDerWaalsContact O-CB 3.3Å; H115-N119 WeakPolarHBondContact O-CB 3.31Å; H115-N119 VanDerWaalsContact O-CG 3.29Å; H115-N119 PolarHBondContact O-N 3.03Å; H115-N119 PolarHBondContact O-ND2 3.48Å; H115-N119 VanDerWaalsContact O-ND2 3.12Å; R116-N119 PolarHBondContact O-N 3.28Å; N119-V150 WeakPolarHBondContact OD1-CG1 3.11Å; N119-K154 PolarHBondContact O-NZ 3.02Å
120	V	96.8	Very high	94.1	Very high	98 Å²	98	53 Å²	53	59%	0.594	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	6.8	179.4	-53.7	0	0	0	0	113.3	R116 V118 D122	R116-V120 WeakPolarHBondContact O-CG2 3.48Å; R116-V120 PolarHBondContact O-N 3.49Å; V118-V120 VanDerWaalsContact C-N 3.27Å; V118-V120 PolarHBondContact O-N 2.99Å; V120-D122 VanDerWaalsContact C-N 3.32Å; V120-D122 HydrophobicContact CG2-CB 3.78Å; V120-D122 PolarHBondContact O-N 3.28Å
121	N	97.7	Very high	94.2	Very high	60 Å²	60	58.6 Å²	58.6	32%	0.321	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	36.3	-177.3	-161.9	43	0	0	0	114.8	A117 V118 E123 Y156 L159	A117-N121 PolarHBondContact O-N 2.74Å; V118-N121 PolarHBondContact O-N 3.34Å; V118-N121 VanDerWaalsContact O-N 3.13Å; N121-E123 PolarHBondContact O-N 2.89Å; N121-Y156 HydrophobicContact CB-CD1 4.3Å; N121-Y156 HydrophobicContact CB-CD2 3.98Å; N121-Y156 HydrophobicContact CB-CE1 4.03Å; N121-Y156 HydrophobicContact CB-CE2 3.66Å; N121-Y156 HydrophobicContact CB-CG 4.28Å; N121-Y156 WeakPolarHBondContact OD1-CB 3.45Å; N121-Y156 WeakPolarHBondContact OD1-CD2 3.37Å; N121-L159 WeakPolarHBondContact OD1-CD1 3.34Å; N121-L159 WeakPolarHBondContact OD1-CG 3.29Å
122	D	97.7	Very high	94.1	Very high	55 Å²	55	58.3 Å²	58.3	29%	0.294	29%	0.289	S	S	.	.			trans	-88.9	97.3	180	-174.2	-18.7	0	0	0	110.5	A117 V120 D124 L125 L126	A117-D122 PolarHBondContact O-N 2.99Å; V120-D122 VanDerWaalsContact C-N 3.32Å; V120-D122 HydrophobicContact CG2-CB 3.78Å; V120-D122 PolarHBondContact O-N 3.28Å; D122-D124 PolarHBondContact OD1-N 3.36Å; D122-L125 HydrophobicContact CB-CB 4.02Å; D122-L125 WeakPolarHBondContact OD1-CB 3.34Å; D122-L125 PolarHBondContact OD1-N 2.97Å; D122-L125 VanDerWaalsContact OD2-CB 3.22Å; D122-L125 WeakPolarHBondContact OD2-CB 3.4Å; D122-L126 WeakPolarHBondContact O-CB 3.4Å; D122-L126 PolarHBondContact O-N 2.96Å; D122-L126 VanDerWaalsContact O-N 3.08Å
123	E	97	Very high	93.4	Very high	71 Å²	71	56.5 Å²	56.5	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-42.5	-179.6	-51.5	-166.7	177.6	0	0	112.2	N121 L126 V127 R158 L159 I162	N121-E123 PolarHBondContact O-N 2.89Å; E123-L126 WeakPolarHBondContact O-CB 3.44Å; E123-L126 PolarHBondContact O-N 3.47Å; E123-V127 WeakPolarHBondContact O-CG2 3.37Å; E123-V127 PolarHBondContact O-N 3.44Å; E123-R158 HydrophobicContact CG-CG 4.39Å; E123-R158 VanDerWaalsContact OE1-CB 3.24Å; E123-R158 WeakPolarHBondContact OE1-CB 3.42Å; E123-R158 WeakPolarHBondContact OE1-CG 3.34Å; E123-R158 WeakPolarHBondContact OE2-CG 3.26Å; E123-R158 IonicContact OE2-NE 3.18Å; E123-L159 HydrophobicContact CB-CD2 4.1Å; E123-L159 HydrophobicContact CG-CD2 3.68Å; E123-I162 HydrophobicContact CB-CD1 4.46Å
124	D	95.5	Very high	92.7	Very high	123 Å²	123	63 Å²	63	66%	0.658	33%	0.329	S	S	*	.	H	α-helix	trans	-69.5	-40.6	-175.5	-71.1	-35.2	0	0	0	111.3	D122 R128	D122-D124 PolarHBondContact OD1-N 3.36Å; D124-R128 WeakPolarHBondContact O-CB 3.3Å; D124-R128 VanDerWaalsContact O-CG 3.26Å; D124-R128 WeakPolarHBondContact O-CG 3.42Å; D124-R128 PolarHBondContact O-N 3.45Å; D124-R128 PolarHBondContact O-NE 3.39Å
125	L	93.8	Very high	92.2	Very high	45 Å²	45	64 Å²	64	24%	0.236	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-43.3	172.1	-177.9	59.6	0	0	0	110.9	A117 D122 V127 R128 I129	A117-L125 HydrophobicContact CB-CB 4.1Å; A117-L125 HydrophobicContact CB-CD2 3.84Å; A117-L125 HydrophobicContact CB-CG 3.82Å; D122-L125 HydrophobicContact CB-CB 4.02Å; D122-L125 WeakPolarHBondContact OD1-CB 3.34Å; D122-L125 PolarHBondContact OD1-N 2.97Å; D122-L125 VanDerWaalsContact OD2-CB 3.22Å; D122-L125 WeakPolarHBondContact OD2-CB 3.4Å; L125-V127 PolarHBondContact O-N 3.11Å; L125-R128 PolarHBondContact O-N 3.42Å; L125-I129 HydrophobicContact CD1-CD1 3.95Å; L125-I129 HydrophobicContact CD1-CG1 4.14Å; L125-I129 HydrophobicContact CD2-CD1 4.49Å; L125-I129 HydrophobicContact CG-CD1 3.77Å; L125-I129 HydrophobicContact CG-CG1 4.38Å; L125-I129 WeakPolarHBondContact O-CB 3.5Å; L125-I129 WeakPolarHBondContact O-CG1 3.32Å; L125-I129 PolarHBondContact O-N 3.43Å
126	L	95.9	Very high	91.9	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-57.6	-49.7	176.8	177.8	62.2	0	0	0	111.2	L114 A117 V118 D122 E123 R128 I129 L130 L159 I162 L163	L114-L126 HydrophobicContact CD1-CD1 3.29Å; L114-L126 HydrophobicContact CG-CD1 4.34Å; A117-L126 HydrophobicContact CB-CB 4.24Å; V118-L126 HydrophobicContact CG2-CD1 4.23Å; V118-L126 HydrophobicContact CG2-CD2 4.43Å; D122-L126 WeakPolarHBondContact O-CB 3.4Å; D122-L126 PolarHBondContact O-N 2.96Å; D122-L126 VanDerWaalsContact O-N 3.08Å; E123-L126 WeakPolarHBondContact O-CB 3.44Å; E123-L126 PolarHBondContact O-N 3.47Å; L126-R128 PolarHBondContact O-N 3.42Å; L126-I129 PolarHBondContact O-N 2.95Å; L126-L130 HydrophobicContact CD1-CD1 3.79Å; L126-L130 HydrophobicContact CD1-CG 4.07Å; L126-L130 HydrophobicContact CD2-CD1 4.49Å; L126-L130 HydrophobicContact CG-CD1 3.84Å; L126-L130 HydrophobicContact CG-CG 4.46Å; L126-L130 VanDerWaalsContact O-CG 3.28Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.11Å; L126-L159 HydrophobicContact CB-CD2 4.47Å; L126-L159 HydrophobicContact CD2-CB 4.14Å; L126-L159 HydrophobicContact CD2-CD2 3.61Å; L126-L159 HydrophobicContact CD2-CG 4.33Å; L126-I162 HydrophobicContact CD2-CB 4.08Å; L126-I162 HydrophobicContact CD2-CD1 4.49Å; L126-I162 HydrophobicContact CD2-CG2 3.72Å; L126-I162 HydrophobicContact CG-CG2 4.03Å; L126-L163 HydrophobicContact CD1-CD2 4.03Å; L126-L163 HydrophobicContact CD2-CD2 4.3Å; L126-L163 HydrophobicContact CD2-CG 4.15Å
127	V	95.3	Very high	91.7	Very high	49 Å²	49	65.4 Å²	65.4	30%	0.297	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-45.2	179.3	170.9	0	0	0	0	111.3	E123 L125 I129 L130 Q131 I162	E123-V127 WeakPolarHBondContact O-CG2 3.37Å; E123-V127 PolarHBondContact O-N 3.44Å; L125-V127 PolarHBondContact O-N 3.11Å; V127-I129 VanDerWaalsContact C-N 3.31Å; V127-I129 PolarHBondContact O-N 3Å; V127-L130 PolarHBondContact O-N 3.34Å; V127-Q131 HydrophobicContact CG1-CG 4.19Å; V127-Q131 WeakPolarHBondContact O-CB 3.45Å; V127-Q131 VanDerWaalsContact O-CG 3.32Å; V127-Q131 WeakPolarHBondContact O-CG 3.45Å; V127-Q131 PolarHBondContact O-N 3.17Å; V127-I162 HydrophobicContact CG2-CD1 4.02Å; V127-I162 HydrophobicContact CG2-CG2 4.31Å
128	R	92.1	Very high	91.6	Very high	149 Å²	149	67.6 Å²	67.6	56%	0.562	36%	0.358	S	S	*	.	H	α-helix	trans	-60.8	-39.2	177.2	-75.6	-177.9	-64.2	162.5	-0.9	112.6	D124 L125 L126 G132	D124-R128 WeakPolarHBondContact O-CB 3.3Å; D124-R128 VanDerWaalsContact O-CG 3.26Å; D124-R128 WeakPolarHBondContact O-CG 3.42Å; D124-R128 PolarHBondContact O-N 3.45Å; D124-R128 PolarHBondContact O-NE 3.39Å; L125-R128 PolarHBondContact O-N 3.42Å; L126-R128 PolarHBondContact O-N 3.42Å; R128-G132 PolarHBondContact O-N 3.48Å
129	I	92.3	Very high	91.5	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.015	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-47.2	177	-72	170.5	0	0	0	110.5	I109 H113 L114 A117 L125 L126 V127 G132 V135	I109-I129 HydrophobicContact CG2-CB 4.12Å; I109-I129 HydrophobicContact CG2-CD1 4.42Å; I109-I129 HydrophobicContact CG2-CG1 3.72Å; I109-I129 HydrophobicContact CG2-CG2 3.74Å; H113-I129 VanDerWaalsContact C-CD1 3.49Å; H113-I129 HydrophobicContact CB-CD1 3.81Å; H113-I129 WeakPolarHBondContact O-CD1 3.45Å; L114-I129 HydrophobicContact CB-CG2 4.24Å; L114-I129 HydrophobicContact CD1-CG2 3.84Å; A117-I129 HydrophobicContact CB-CD1 4.13Å; L125-I129 HydrophobicContact CD1-CD1 3.95Å; L125-I129 HydrophobicContact CD1-CG1 4.14Å; L125-I129 HydrophobicContact CD2-CD1 4.49Å; L125-I129 HydrophobicContact CG-CD1 3.77Å; L125-I129 HydrophobicContact CG-CG1 4.38Å; L125-I129 WeakPolarHBondContact O-CB 3.5Å; L125-I129 WeakPolarHBondContact O-CG1 3.32Å; L125-I129 PolarHBondContact O-N 3.43Å; L126-I129 PolarHBondContact O-N 2.95Å; V127-I129 VanDerWaalsContact C-N 3.31Å; V127-I129 PolarHBondContact O-N 3Å; I129-G132 PolarHBondContact O-N 3.2Å; I129-V135 HydrophobicContact CG2-CB 4.19Å; I129-V135 HydrophobicContact CG2-CG1 4.41Å; I129-V135 HydrophobicContact CG2-CG2 3.91Å
130	L	91.8	Very high	91.4	Very high	16 Å²	16	70 Å²	70	8%	0.084	38%	0.377	C	S	.	.	H	α-helix	trans	-69.6	-40.4	-177.1	-65.7	173.4	0	0	0	112.5	L114 L126 V127 G132 G133 V137 I162 N166	L114-L130 HydrophobicContact CD1-CD2 3.82Å; L114-L130 HydrophobicContact CD1-CG 4.28Å; L126-L130 HydrophobicContact CD1-CD1 3.79Å; L126-L130 HydrophobicContact CD1-CG 4.07Å; L126-L130 HydrophobicContact CD2-CD1 4.49Å; L126-L130 HydrophobicContact CG-CD1 3.84Å; L126-L130 HydrophobicContact CG-CG 4.46Å; L126-L130 VanDerWaalsContact O-CG 3.28Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.11Å; V127-L130 PolarHBondContact O-N 3.34Å; L130-G132 PolarHBondContact O-N 2.91Å; L130-G133 PolarHBondContact O-N 3.34Å; L130-V137 HydrophobicContact CD2-CG1 3.39Å; L130-I162 HydrophobicContact CD1-CG2 3.56Å; L130-N166 HydrophobicContact CD1-CB 4.08Å; L130-N166 HydrophobicContact CD2-CB 4.4Å
131	Q	89.1	Confident	91.3	Very high	155 Å²	155	67 Å²	67	72%	0.724	36%	0.357	S	S	*	.	H	α-helix	trans	-60.7	-25.4	173.3	-75.6	176.8	-13.4	0	0	112.9	V127 G133	V127-Q131 HydrophobicContact CG1-CG 4.19Å; V127-Q131 WeakPolarHBondContact O-CB 3.45Å; V127-Q131 VanDerWaalsContact O-CG 3.32Å; V127-Q131 WeakPolarHBondContact O-CG 3.45Å; V127-Q131 PolarHBondContact O-N 3.17Å; Q131-G133 PolarHBondContact O-N 3.48Å
132	G	82.1	Confident	91.1	Very high	31 Å²	31	72.9 Å²	72.9	32%	0.32	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.7	173.3	0	0	0	0	0	113.2	R128 I129 L130 H134	R128-G132 PolarHBondContact O-N 3.48Å; I129-G132 PolarHBondContact O-N 3.2Å; L130-G132 PolarHBondContact O-N 2.91Å; G132-H134 PolarHBondContact O-CE1 3.29Å; G132-H134 PolarHBondContact O-N 2.95Å; G132-H134 VanDerWaalsContact O-N 3.09Å; G132-H134 PolarHBondContact O-ND1 2.7Å
133	G	75.1	Confident	90.8	Very high	67 Å²	67	78.6 Å²	78.6	69%	0.691	40%	0.402	S	S	*	.	S	Bend	trans	72.5	-6.1	172.6	0	0	0	0	0	116.8	L130 Q131	L130-G133 PolarHBondContact O-N 3.34Å; Q131-G133 PolarHBondContact O-N 3.48Å
134	H	77.1	Confident	90.7	Very high	177 Å²	177	76.3 Å²	76.3	82%	0.819	40%	0.398	S	S	*	.			trans	-95.1	-13.4	-176.5	-64.2	78	0	0	0	113.6	G132	G132-H134 PolarHBondContact O-CE1 3.29Å; G132-H134 PolarHBondContact O-N 2.95Å; G132-H134 VanDerWaalsContact O-N 3.09Å; G132-H134 PolarHBondContact O-ND1 2.7Å
135	V	85.2	Confident	90.8	Very high	20 Å²	20	72.7 Å²	72.7	12%	0.121	38%	0.377	C	S	.	.	S	Bend	trans	-97.7	121.4	-174.3	-175.4	0	0	0	0	110.6	I109 L114 I129 V137	I109-V135 HydrophobicContact CB-CG2 4.27Å; I109-V135 HydrophobicContact CG2-CG2 3.74Å; I109-V135 WeakPolarHBondContact O-CG2 3.37Å; L114-V135 HydrophobicContact CB-CG1 4.14Å; L114-V135 HydrophobicContact CD2-CG1 4.17Å; I129-V135 HydrophobicContact CG2-CB 4.19Å; I129-V135 HydrophobicContact CG2-CG1 4.41Å; I129-V135 HydrophobicContact CG2-CG2 3.91Å; V135-V137 PolarHBondContact O-N 3.02Å
136	K	89.2	Confident	91	Very high	167 Å²	167	70.9 Å²	70.9	73%	0.726	37%	0.367	S	S	*	.			trans	-69.6	123.9	170	-68.9	-177.5	-179	-176.1	0	109.8	D138 V139	K136-D138 VanDerWaalsContact C-N 3.33Å; K136-D138 PolarHBondContact O-N 2.84Å; K136-V139 HydrophobicContact CB-CG2 3.51Å; K136-V139 HydrophobicContact CD-CG2 4.49Å; K136-V139 WeakPolarHBondContact O-CG2 3.26Å
137	V	91.3	Very high	91.1	Very high	19 Å²	19	70.9 Å²	70.9	12%	0.115	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-26.6	-174.5	-67	0	0	0	0	114.2	L130 V135 N166 T168	L130-V137 HydrophobicContact CD2-CG1 3.39Å; V135-V137 PolarHBondContact O-N 3.02Å; V137-N166 HydrophobicContact CG1-CB 4.48Å; V137-T168 WeakPolarHBondContact CG2-OG1 3.05Å
138	D	95.2	Very high	91.3	Very high	47 Å²	47	68.5 Å²	68.5	25%	0.251	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	17.2	-171.9	-70	-12.6	0	0	0	113.7	K136 P140 T168 D169 L172	K136-D138 VanDerWaalsContact C-N 3.33Å; K136-D138 PolarHBondContact O-N 2.84Å; D138-P140 WeakPolarHBondContact O-CD 3.09Å; D138-T168 VanDerWaalsContact OD1-CA 3.29Å; D138-T168 WeakPolarHBondContact OD1-CA 3.42Å; D138-T168 VanDerWaalsContact OD1-CB 3.26Å; D138-T168 WeakPolarHBondContact OD1-CB 3.49Å; D138-T168 WeakPolarHBondContact OD1-CG2 3.3Å; D138-T168 PolarHBondContact OD1-OG1 3.36Å; D138-D169 PolarHBondContact OD2-N 3.45Å; D138-L172 HydrophobicContact CB-CD1 3.42Å; D138-L172 VanDerWaalsContact CB-CD1 3.42Å; D138-L172 WeakPolarHBondContact OD2-CD1 3.24Å
139	V	94.1	Very high	91.6	Very high	44 Å²	44	61.4 Å²	61.4	27%	0.267	33%	0.327	S	S	.	.			trans	-76	120.8	177.4	178.7	0	0	0	0	109.3	H115 K136	H115-V139 PolarHBondContact CE1-O 3.3Å; H115-V139 PolarHBondContact NE2-O 2.87Å; K136-V139 HydrophobicContact CB-CG2 3.51Å; K136-V139 HydrophobicContact CD-CG2 4.49Å; K136-V139 WeakPolarHBondContact O-CG2 3.26Å
140	P	95.4	Very high	91.9	Very high	74 Å²	74	61.8 Å²	61.8	48%	0.481	33%	0.329	S	S	.	.			trans	-68.9	148.1	176.3	28.2	-33.4	0	0	0	111.3	D138 F145	D138-P140 WeakPolarHBondContact O-CD 3.09Å; P140-F145 CarbonylContact C-O 3.55Å; P140-F145 WeakPolarHBondContact CA-O 3.11Å
141	N	94.1	Very high	92.2	Very high	35 Å²	35	61 Å²	61	19%	0.187	33%	0.325	C	S	.	.			trans	-74.9	-177.2	168.6	66.3	23.3	0	0	0	111.2	H115 F143 G144 F145	H115-N141 PolarHBondContact NE2-N 3.14Å; N141-F143 PolarHBondContact O-N 3.49Å; N141-F143 WeakPolarHBondContact OD1-CA 3.41Å; N141-F143 WeakPolarHBondContact OD1-CB 3.5Å; N141-F143 PolarHBondContact OD1-N 2.96Å; N141-G144 PolarHBondContact O-N 3.4Å; N141-G144 PolarHBondContact OD1-N 3.43Å; N141-F145 PolarHBondContact N-O 3.3Å; N141-F145 PolarHBondContact OD1-N 3.21Å; N141-F145 VanDerWaalsContact OD1-N 3.07Å
142	K	92.9	Very high	92.7	Very high	184 Å²	184	53.6 Å²	53.6	80%	0.8	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.5	179.4	-62.8	-179	-177.2	175.2	0	114.2	E112	E112-K142 IonicContact OE1-NZ 2.68Å
143	F	92.3	Very high	93.5	Very high	174 Å²	174	55.6 Å²	55.6	76%	0.763	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	3.6	176.6	-54.6	-72.2	0	0	0	112.9	N141 F145	N141-F143 PolarHBondContact O-N 3.49Å; N141-F143 WeakPolarHBondContact OD1-CA 3.41Å; N141-F143 WeakPolarHBondContact OD1-CB 3.5Å; N141-F143 PolarHBondContact OD1-N 2.96Å; F143-F145 HydrophobicContact CB-CD2 3.73Å; F143-F145 HydrophobicContact CB-CE2 4.08Å; F143-F145 VanDerWaalsContact O-CD2 3.3Å; F143-F145 WeakPolarHBondContact O-CD2 3.33Å
144	G	95.5	Very high	94.6	Very high	24 Å²	24	56.6 Å²	56.6	25%	0.247	28%	0.276	C	S	.	.	S	Bend	trans	83	8.7	-179.9	0	0	0	0	0	115	N141 N174	N141-G144 PolarHBondContact O-N 3.4Å; N141-G144 PolarHBondContact OD1-N 3.43Å; G144-N174 WeakPolarHBondContact O-CB 3.33Å
145	F	97.7	Very high	95.6	Very high	46 Å²	46	49 Å²	49	20%	0.202	25%	0.247	C	C	.	.			trans	-96.1	134.6	-179.4	-67.5	-99.4	0	0	0	111.4	H115 P140 N141 F143 M149 V150 N174 L183	H115-F145 PolarHBondContact CE1-O 3.33Å; P140-F145 CarbonylContact C-O 3.55Å; P140-F145 WeakPolarHBondContact CA-O 3.11Å; N141-F145 PolarHBondContact N-O 3.3Å; N141-F145 PolarHBondContact OD1-N 3.21Å; N141-F145 VanDerWaalsContact OD1-N 3.07Å; F143-F145 HydrophobicContact CB-CD2 3.73Å; F143-F145 HydrophobicContact CB-CE2 4.08Å; F143-F145 VanDerWaalsContact O-CD2 3.3Å; F143-F145 WeakPolarHBondContact O-CD2 3.33Å; F145-M149 HydrophobicContact CB-CB 4.28Å; F145-M149 HydrophobicContact CB-SD 4.42Å; F145-M149 HydrophobicContact CD1-CB 3.96Å; F145-M149 HydrophobicContact CD1-SD 4.31Å; F145-V150 HydrophobicContact CB-CG2 3.94Å; F145-N174 WeakPolarHBondContact CE1-ND2 3.12Å; F145-L183 HydrophobicContact CD1-CD1 3.86Å; F145-L183 HydrophobicContact CE1-CD1 3.73Å; F145-L183 HydrophobicContact CE1-CD2 4.12Å
146	T	97.9	Very high	96.3	Very high	7 Å²	7	51 Å²	51	4%	0.043	25%	0.252	C	S	.	.			trans	-75.2	164.9	168.5	68.3	0	0	0	0	110.9	L148 M149 V150 L172	T146-L148 PolarHBondContact O-N 3.05Å; T146-M149 HydrophobicContact CG2-CE 4.19Å; T146-M149 HydrophobicContact CG2-SD 4.24Å; T146-M149 PolarHBondContact N-SD 3.46Å; T146-M149 VanDerWaalsContact N-SD 3.42Å; T146-M149 PolarHBondContact O-N 3.15Å; T146-M149 WeakPolarHBondContact OG1-CG 3.47Å; T146-M149 PolarHBondContact OG1-N 3.09Å; T146-V150 PolarHBondContact O-N 2.93Å; T146-L172 HydrophobicContact CG2-CD1 4.33Å
147	A	97.9	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.2	-41.2	175.7	0	0	0	0	0	111.6	L114 H115 V118 V150 A151 L163	L114-A147 HydrophobicContact CD2-CB 3.88Å; L114-A147 HydrophobicContact CG-CB 4.16Å; H115-A147 PolarHBondContact CE1-N 2.99Å; V118-A147 HydrophobicContact CG2-CB 4.1Å; A147-V150 PolarHBondContact O-N 3.02Å; A147-A151 WeakPolarHBondContact O-CB 3.38Å; A147-A151 PolarHBondContact O-N 3.48Å; A147-L163 HydrophobicContact CB-CD1 4.05Å; A147-L163 HydrophobicContact CB-CD2 3.88Å
148	L	98.7	Very high	97.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-39.7	178.1	-179.6	67.7	0	0	0	112.2	T146 V150 A151 A152 V160 L163 V164 T168 V170 S180 L196	T146-L148 PolarHBondContact O-N 3.05Å; L148-V150 VanDerWaalsContact C-N 3.34Å; L148-V150 PolarHBondContact O-N 2.93Å; L148-A151 PolarHBondContact O-N 3.34Å; L148-A152 WeakPolarHBondContact O-CB 3.45Å; L148-A152 PolarHBondContact O-N 3.38Å; L148-V160 HydrophobicContact CD1-CB 4.24Å; L148-V160 HydrophobicContact CD1-CG1 3.96Å; L148-V160 HydrophobicContact CD1-CG2 4.15Å; L148-L163 HydrophobicContact CB-CD1 4.33Å; L148-L163 HydrophobicContact CD1-CB 4.28Å; L148-L163 HydrophobicContact CD1-CD1 4.48Å; L148-V164 HydrophobicContact CD1-CG2 3.89Å; L148-V164 HydrophobicContact CD2-CG2 4.17Å; L148-T168 HydrophobicContact CB-CG2 3.7Å; L148-T168 HydrophobicContact CD2-CG2 3.37Å; L148-T168 HydrophobicContact CG-CG2 4.09Å; L148-V170 HydrophobicContact CD2-CB 4.39Å; L148-V170 HydrophobicContact CD2-CG1 4.14Å; L148-S180 WeakPolarHBondContact CG-OG 3.14Å; L148-L196 HydrophobicContact CD1-CD2 4.22Å; L148-L196 HydrophobicContact CD2-CD2 4.05Å; L148-L196 HydrophobicContact CG-CD2 4.46Å
149	M	98.8	Very high	97.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-43.7	177.2	-71.9	169	-175.5	0	0	112	F145 T146 A152 Q153 L172 N174 S180 L183	F145-M149 HydrophobicContact CB-CB 4.28Å; F145-M149 HydrophobicContact CB-SD 4.42Å; F145-M149 HydrophobicContact CD1-CB 3.96Å; F145-M149 HydrophobicContact CD1-SD 4.31Å; T146-M149 HydrophobicContact CG2-CE 4.19Å; T146-M149 HydrophobicContact CG2-SD 4.24Å; T146-M149 PolarHBondContact N-SD 3.46Å; T146-M149 VanDerWaalsContact N-SD 3.42Å; T146-M149 PolarHBondContact O-N 3.15Å; T146-M149 WeakPolarHBondContact OG1-CG 3.47Å; T146-M149 PolarHBondContact OG1-N 3.09Å; M149-A152 PolarHBondContact O-N 3.37Å; M149-Q153 WeakPolarHBondContact O-CB 3.5Å; M149-Q153 PolarHBondContact O-N 2.97Å; M149-L172 VanDerWaalsContact CE-C 3.48Å; M149-L172 HydrophobicContact CE-CB 4.31Å; M149-L172 WeakPolarHBondContact CE-O 3.16Å; M149-N174 HydrophobicContact CE-CB 4.2Å; M149-N174 HydrophobicContact SD-CB 3.88Å; M149-S180 WeakPolarHBondContact CA-OG 3.37Å; M149-S180 WeakPolarHBondContact CG-OG 3.49Å; M149-S180 PolarHBondContact N-OG 3.09Å; M149-L183 HydrophobicContact CB-CD1 3.61Å; M149-L183 HydrophobicContact CG-CD1 3.95Å
150	V	98.6	Very high	97.4	Very high	10 Å²	10	46.3 Å²	46.3	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-48.3	177	178.2	0	0	0	0	110.8	V118 N119 F145 T146 A147 L148 A152 Q153 K154	V118-V150 HydrophobicContact CG1-CB 4.07Å; V118-V150 HydrophobicContact CG1-CG1 3.95Å; N119-V150 WeakPolarHBondContact OD1-CG1 3.11Å; F145-V150 HydrophobicContact CB-CG2 3.94Å; T146-V150 PolarHBondContact O-N 2.93Å; A147-V150 PolarHBondContact O-N 3.02Å; L148-V150 VanDerWaalsContact C-N 3.34Å; L148-V150 PolarHBondContact O-N 2.93Å; V150-A152 VanDerWaalsContact C-N 3.26Å; V150-A152 PolarHBondContact O-N 3.09Å; V150-Q153 PolarHBondContact O-N 3.03Å; V150-K154 HydrophobicContact CG1-CD 4.34Å; V150-K154 WeakPolarHBondContact O-CB 3.41Å; V150-K154 WeakPolarHBondContact O-CG 3.36Å; V150-K154 PolarHBondContact O-N 3.05Å
151	A	98.8	Very high	97.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-39.3	178.3	0	0	0	0	0	111.8	V118 A147 L148 G155 Y156 L159 V160 L163	V118-A151 HydrophobicContact CG1-CB 3.83Å; A147-A151 WeakPolarHBondContact O-CB 3.38Å; A147-A151 PolarHBondContact O-N 3.48Å; L148-A151 PolarHBondContact O-N 3.34Å; A151-G155 PolarHBondContact O-N 3.02Å; A151-Y156 PolarHBondContact O-N 3.01Å; A151-L159 HydrophobicContact CB-CB 4.1Å; A151-V160 HydrophobicContact CB-CG2 3.82Å; A151-L163 HydrophobicContact CB-CD1 4Å
152	A	98.8	Very high	97.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.2	-43.7	179.4	0	0	0	0	0	112.3	L148 M149 V150 K154 G155 V160 S180 A184 H189 V192 L196	L148-A152 WeakPolarHBondContact O-CB 3.45Å; L148-A152 PolarHBondContact O-N 3.38Å; M149-A152 PolarHBondContact O-N 3.37Å; V150-A152 VanDerWaalsContact C-N 3.26Å; V150-A152 PolarHBondContact O-N 3.09Å; A152-K154 VanDerWaalsContact C-N 3.31Å; A152-K154 PolarHBondContact O-N 3.39Å; A152-G155 PolarHBondContact O-N 3.28Å; A152-V160 HydrophobicContact CB-CG2 4.43Å; A152-S180 WeakPolarHBondContact CB-O 3.16Å; A152-A184 HydrophobicContact CB-CB 4.24Å; A152-H189 PolarHBondContact O-CD2 3.09Å; A152-V192 HydrophobicContact CB-CG1 3.82Å; A152-L196 HydrophobicContact CB-CD1 4.21Å
153	Q	98.6	Very high	98	Very high	73 Å²	73	37 Å²	37	34%	0.341	18%	0.175	S	C	.	.	H	α-helix	trans	-65.3	-32.6	176.2	-169.2	178.3	36.8	0	0	112.8	M149 V150 L183 A187 H189	M149-Q153 WeakPolarHBondContact O-CB 3.5Å; M149-Q153 PolarHBondContact O-N 2.97Å; V150-Q153 PolarHBondContact O-N 3.03Å; Q153-L183 HydrophobicContact CB-CB 4.06Å; Q153-L183 HydrophobicContact CG-CB 4.42Å; Q153-A187 WeakPolarHBondContact O-CB 3.41Å; Q153-H189 PolarHBondContact O-CD2 3.3Å; Q153-H189 VanDerWaalsContact O-CD2 3.31Å; Q153-H189 PolarHBondContact O-NE2 3.38Å
154	K	98.6	Very high	98.3	Very high	87 Å²	87	29.6 Å²	29.6	38%	0.378	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.7	178.5	-69.2	-166.1	170.7	-155	0	114.3	N119 V150 A152 Y156 H189	N119-K154 PolarHBondContact O-NZ 3.02Å; V150-K154 HydrophobicContact CG1-CD 4.34Å; V150-K154 WeakPolarHBondContact O-CB 3.41Å; V150-K154 WeakPolarHBondContact O-CG 3.36Å; V150-K154 PolarHBondContact O-N 3.05Å; A152-K154 VanDerWaalsContact C-N 3.31Å; A152-K154 PolarHBondContact O-N 3.39Å; K154-Y156 VanDerWaalsContact C-N 3.34Å; K154-Y156 HydrophobicContact CB-CD1 4.15Å; K154-Y156 HydrophobicContact CB-CD2 3.8Å; K154-Y156 HydrophobicContact CB-CE1 3.99Å; K154-Y156 HydrophobicContact CB-CE2 3.64Å; K154-Y156 HydrophobicContact CB-CG 4.06Å; K154-Y156 HydrophobicContact CD-CD2 4.17Å; K154-Y156 HydrophobicContact CD-CE2 3.32Å; K154-Y156 HydrophobicContact CG-CE2 4.13Å; K154-Y156 PolarHBondContact O-N 2.99Å; K154-H189 VanDerWaalsContact C-NE2 3.28Å
155	G	98.6	Very high	98.4	Very high	19 Å²	19	32.8 Å²	32.8	20%	0.196	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	20.9	178.8	0	0	0	0	0	114.3	A151 A152 T157 H189	A151-G155 PolarHBondContact O-N 3.02Å; A152-G155 PolarHBondContact O-N 3.28Å; G155-T157 PolarHBondContact O-N 3.3Å; G155-T157 PolarHBondContact O-OG1 3.43Å; G155-H189 WeakPolarHBondContact CA-CD2 3.46Å; G155-H189 PolarHBondContact N-CD2 3.04Å; G155-H189 PolarHBondContact N-NE2 3.44Å
156	Y	98.7	Very high	98.3	Very high	60 Å²	60	34.3 Å²	34.3	24%	0.235	17%	0.172	C	C	.	.			trans	-77.9	72.1	-179.9	-60.4	-24.9	0	0	0	110.7	V118 N121 A151 K154 R158 L159 V160	V118-Y156 WeakPolarHBondContact O-CE2 3.39Å; N121-Y156 HydrophobicContact CB-CD1 4.3Å; N121-Y156 HydrophobicContact CB-CD2 3.98Å; N121-Y156 HydrophobicContact CB-CE1 4.03Å; N121-Y156 HydrophobicContact CB-CE2 3.66Å; N121-Y156 HydrophobicContact CB-CG 4.28Å; N121-Y156 WeakPolarHBondContact OD1-CB 3.45Å; N121-Y156 WeakPolarHBondContact OD1-CD2 3.37Å; A151-Y156 PolarHBondContact O-N 3.01Å; K154-Y156 VanDerWaalsContact C-N 3.34Å; K154-Y156 HydrophobicContact CB-CD1 4.15Å; K154-Y156 HydrophobicContact CB-CD2 3.8Å; K154-Y156 HydrophobicContact CB-CE1 3.99Å; K154-Y156 HydrophobicContact CB-CE2 3.64Å; K154-Y156 HydrophobicContact CB-CG 4.06Å; K154-Y156 HydrophobicContact CD-CD2 4.17Å; K154-Y156 HydrophobicContact CD-CE2 3.32Å; K154-Y156 HydrophobicContact CG-CE2 4.13Å; K154-Y156 PolarHBondContact O-N 2.99Å; Y156-R158 PolarHBondContact O-N 3.13Å; Y156-R158 VanDerWaalsContact O-N 3.09Å; Y156-L159 HydrophobicContact CD2-CD1 3.96Å; Y156-L159 HydrophobicContact CG-CD1 4.4Å; Y156-L159 PolarHBondContact O-N 3.42Å; Y156-V160 WeakPolarHBondContact O-CG2 3.46Å; Y156-V160 PolarHBondContact O-N 3.5Å
157	T	98.6	Very high	98.1	Very high	38 Å²	38	36.8 Å²	36.8	23%	0.233	20%	0.199	C	C	.	.	H	α-helix	trans	-51.5	-36.7	-174.5	-58.7	0	0	0	0	113.1	G155 K161 D191	G155-T157 PolarHBondContact O-N 3.3Å; G155-T157 PolarHBondContact O-OG1 3.43Å; T157-K161 HydrophobicContact CG2-CD 4.45Å; T157-K161 VanDerWaalsContact O-CG 3.32Å; T157-K161 WeakPolarHBondContact O-CG 3.34Å; T157-K161 PolarHBondContact O-N 3.3Å; T157-K161 VanDerWaalsContact O-N 3.09Å; T157-D191 HydrophobicContact CG2-CB 4.31Å
158	R	98.6	Very high	97.9	Very high	142 Å²	142	37.2 Å²	37.2	54%	0.536	20%	0.202	S	C	.	.	H	α-helix	trans	-71.6	-42.4	179.2	-173.9	50.1	177.6	172.4	2.3	112.3	E123 Y156 K161 I162	E123-R158 HydrophobicContact CG-CG 4.39Å; E123-R158 VanDerWaalsContact OE1-CB 3.24Å; E123-R158 WeakPolarHBondContact OE1-CB 3.42Å; E123-R158 WeakPolarHBondContact OE1-CG 3.34Å; E123-R158 WeakPolarHBondContact OE2-CG 3.26Å; E123-R158 IonicContact OE2-NE 3.18Å; Y156-R158 PolarHBondContact O-N 3.13Å; Y156-R158 VanDerWaalsContact O-N 3.09Å; R158-K161 WeakPolarHBondContact O-CB 3.37Å; R158-K161 PolarHBondContact O-N 3.03Å; R158-I162 HydrophobicContact CG-CD1 4.28Å; R158-I162 WeakPolarHBondContact O-CG1 3.4Å; R158-I162 PolarHBondContact O-N 2.99Å
159	L	98.7	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-40.7	173.4	-59.1	-166.2	0	0	0	112.2	V118 N121 E123 L126 A151 Y156 K161 I162 L163	V118-L159 HydrophobicContact CB-CD1 4.27Å; V118-L159 HydrophobicContact CG1-CD1 4.15Å; V118-L159 HydrophobicContact CG2-CD1 4.27Å; N121-L159 WeakPolarHBondContact OD1-CD1 3.34Å; N121-L159 WeakPolarHBondContact OD1-CG 3.29Å; E123-L159 HydrophobicContact CB-CD2 4.1Å; E123-L159 HydrophobicContact CG-CD2 3.68Å; L126-L159 HydrophobicContact CB-CD2 4.47Å; L126-L159 HydrophobicContact CD2-CB 4.14Å; L126-L159 HydrophobicContact CD2-CD2 3.61Å; L126-L159 HydrophobicContact CD2-CG 4.33Å; A151-L159 HydrophobicContact CB-CB 4.1Å; Y156-L159 HydrophobicContact CD2-CD1 3.96Å; Y156-L159 HydrophobicContact CG-CD1 4.4Å; Y156-L159 PolarHBondContact O-N 3.42Å; L159-K161 VanDerWaalsContact C-N 3.3Å; L159-K161 PolarHBondContact O-N 3.29Å; L159-I162 HydrophobicContact CD2-CD1 4.38Å; L159-I162 PolarHBondContact O-N 3.33Å; L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 VanDerWaalsContact O-CG 3.3Å; L159-L163 WeakPolarHBondContact O-CG 3.23Å; L159-L163 PolarHBondContact O-N 3.49Å
160	V	98.8	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.5	-48.1	173.3	166.4	0	0	0	0	110.5	L148 A151 A152 Y156 I162 L163 V164 V192 Y195 L196	L148-V160 HydrophobicContact CD1-CB 4.24Å; L148-V160 HydrophobicContact CD1-CG1 3.96Å; L148-V160 HydrophobicContact CD1-CG2 4.15Å; A151-V160 HydrophobicContact CB-CG2 3.82Å; A152-V160 HydrophobicContact CB-CG2 4.43Å; Y156-V160 WeakPolarHBondContact O-CG2 3.46Å; Y156-V160 PolarHBondContact O-N 3.5Å; V160-I162 PolarHBondContact O-N 2.76Å; V160-L163 PolarHBondContact O-N 3.33Å; V160-V164 WeakPolarHBondContact O-CB 3.44Å; V160-V164 VanDerWaalsContact O-CG2 3.3Å; V160-V164 WeakPolarHBondContact O-CG2 3.42Å; V160-V164 PolarHBondContact O-N 3.4Å; V160-V192 HydrophobicContact CG1-CG1 4.39Å; V160-V192 HydrophobicContact CG2-CG1 4.06Å; V160-V192 HydrophobicContact CG2-CG2 4.14Å; V160-Y195 HydrophobicContact CG1-CD1 3.66Å; V160-Y195 HydrophobicContact CG1-CE1 4.14Å; V160-L196 HydrophobicContact CG1-CD2 4.19Å
161	K	98.6	Very high	97.8	Very high	81 Å²	81	43.7 Å²	43.7	35%	0.352	24%	0.237	S	C	.	.	H	α-helix	trans	-59.2	-46.1	176.7	-75.1	169.4	179.6	-178.6	0	112.3	T157 R158 L159 S165 Y195	T157-K161 HydrophobicContact CG2-CD 4.45Å; T157-K161 VanDerWaalsContact O-CG 3.32Å; T157-K161 WeakPolarHBondContact O-CG 3.34Å; T157-K161 PolarHBondContact O-N 3.3Å; T157-K161 VanDerWaalsContact O-N 3.09Å; R158-K161 WeakPolarHBondContact O-CB 3.37Å; R158-K161 PolarHBondContact O-N 3.03Å; L159-K161 VanDerWaalsContact C-N 3.3Å; L159-K161 PolarHBondContact O-N 3.29Å; K161-S165 WeakPolarHBondContact O-CB 3.41Å; K161-S165 PolarHBondContact O-N 3.41Å; K161-S165 PolarHBondContact O-OG 2.84Å; K161-Y195 HydrophobicContact CB-CE2 4.49Å; K161-Y195 HydrophobicContact CD-CE2 4.29Å; K161-Y195 HydrophobicContact CG-CD2 3.95Å; K161-Y195 HydrophobicContact CG-CE1 4.09Å; K161-Y195 HydrophobicContact CG-CE2 3.49Å; K161-Y195 VanDerWaalsContact CG-CE2 3.49Å; K161-Y195 HydrophobicContact CG-CG 4.42Å
162	I	98.1	Very high	97.8	Very high	16 Å²	16	46.2 Å²	46.2	8%	0.082	25%	0.25	C	S	.	.	H	α-helix	trans	-61.7	-49.2	179.5	-68.8	163.7	0	0	0	110.5	E123 L126 V127 L130 R158 L159 V160 S165 N166	E123-I162 HydrophobicContact CB-CD1 4.46Å; L126-I162 HydrophobicContact CD2-CB 4.08Å; L126-I162 HydrophobicContact CD2-CD1 4.49Å; L126-I162 HydrophobicContact CD2-CG2 3.72Å; L126-I162 HydrophobicContact CG-CG2 4.03Å; V127-I162 HydrophobicContact CG2-CD1 4.02Å; V127-I162 HydrophobicContact CG2-CG2 4.31Å; L130-I162 HydrophobicContact CD1-CG2 3.56Å; R158-I162 HydrophobicContact CG-CD1 4.28Å; R158-I162 WeakPolarHBondContact O-CG1 3.4Å; R158-I162 PolarHBondContact O-N 2.99Å; L159-I162 HydrophobicContact CD2-CD1 4.38Å; L159-I162 PolarHBondContact O-N 3.33Å; V160-I162 PolarHBondContact O-N 2.76Å; I162-S165 PolarHBondContact O-N 3.19Å; I162-N166 PolarHBondContact O-N 3.02Å; I162-N166 VanDerWaalsContact O-N 3.14Å; I162-N166 PolarHBondContact O-ND2 2.85Å
163	L	98.1	Very high	97.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-48	-178	-70.4	165.5	0	0	0	112	V118 L126 A147 L148 A151 L159 V160 S165 N166 G167 T168	V118-L163 HydrophobicContact CG2-CD1 4.23Å; L126-L163 HydrophobicContact CD1-CD2 4.03Å; L126-L163 HydrophobicContact CD2-CD2 4.3Å; L126-L163 HydrophobicContact CD2-CG 4.15Å; A147-L163 HydrophobicContact CB-CD1 4.05Å; A147-L163 HydrophobicContact CB-CD2 3.88Å; L148-L163 HydrophobicContact CB-CD1 4.33Å; L148-L163 HydrophobicContact CD1-CB 4.28Å; L148-L163 HydrophobicContact CD1-CD1 4.48Å; A151-L163 HydrophobicContact CB-CD1 4Å; L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 VanDerWaalsContact O-CG 3.3Å; L159-L163 WeakPolarHBondContact O-CG 3.23Å; L159-L163 PolarHBondContact O-N 3.49Å; V160-L163 PolarHBondContact O-N 3.33Å; L163-S165 VanDerWaalsContact C-N 3.3Å; L163-S165 PolarHBondContact O-N 3.38Å; L163-N166 CarbonylContact O-C 3.6Å; L163-N166 PolarHBondContact O-N 3.07Å; L163-G167 PolarHBondContact O-N 3.35Å; L163-T168 PolarHBondContact O-N 3.49Å
164	V	98.1	Very high	97.7	Very high	19 Å²	19	48.3 Å²	48.3	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-38.8	177.3	174	0	0	0	0	111.4	L148 V160 N166 G167 V170 Y195 L196 H199	L148-V164 HydrophobicContact CD1-CG2 3.89Å; L148-V164 HydrophobicContact CD2-CG2 4.17Å; V160-V164 WeakPolarHBondContact O-CB 3.44Å; V160-V164 VanDerWaalsContact O-CG2 3.3Å; V160-V164 WeakPolarHBondContact O-CG2 3.42Å; V160-V164 PolarHBondContact O-N 3.4Å; V164-N166 PolarHBondContact O-N 3.26Å; V164-G167 PolarHBondContact O-N 3.32Å; V164-V170 HydrophobicContact CG1-CG1 4.3Å; V164-V170 HydrophobicContact CG2-CG1 3.88Å; V164-Y195 HydrophobicContact CB-CE1 3.9Å; V164-Y195 HydrophobicContact CG1-CE1 4.04Å; V164-Y195 HydrophobicContact CG2-CE1 3.99Å; V164-L196 HydrophobicContact CG2-CD2 4.48Å; V164-H199 HydrophobicContact CG1-CB 4.06Å
165	S	96.7	Very high	97.6	Very high	91 Å²	91	47.7 Å²	47.7	64%	0.636	28%	0.277	S	S	*	.	H	α-helix	trans	-68.1	-16.6	176.3	-54.2	0	0	0	0	113.4	K161 I162 L163	K161-S165 WeakPolarHBondContact O-CB 3.41Å; K161-S165 PolarHBondContact O-N 3.41Å; K161-S165 PolarHBondContact O-OG 2.84Å; I162-S165 PolarHBondContact O-N 3.19Å; L163-S165 VanDerWaalsContact C-N 3.3Å; L163-S165 PolarHBondContact O-N 3.38Å
166	N	95.6	Very high	97.5	Very high	77 Å²	77	48.7 Å²	48.7	41%	0.412	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	22.6	176.5	-76.3	-92.3	0	0	0	112.4	L130 V137 I162 L163 V164	L130-N166 HydrophobicContact CD1-CB 4.08Å; L130-N166 HydrophobicContact CD2-CB 4.4Å; V137-N166 HydrophobicContact CG1-CB 4.48Å; I162-N166 PolarHBondContact O-N 3.02Å; I162-N166 VanDerWaalsContact O-N 3.14Å; I162-N166 PolarHBondContact O-ND2 2.85Å; L163-N166 CarbonylContact O-C 3.6Å; L163-N166 PolarHBondContact O-N 3.07Å; V164-N166 PolarHBondContact O-N 3.26Å
167	G	93.5	Very high	97.5	Very high	59 Å²	59	46.1 Å²	46.1	61%	0.608	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	20.5	166.4	0	0	0	0	0	115.7	L163 V164 D169	L163-G167 PolarHBondContact O-N 3.35Å; V164-G167 PolarHBondContact O-N 3.32Å; G167-D169 PolarHBondContact O-N 3.44Å
168	T	95.7	Very high	97.5	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.055	27%	0.27	C	S	.	.			trans	-62.5	135.2	168.4	-80.2	0	0	0	0	111.1	V137 D138 L148 L163 V170	V137-T168 WeakPolarHBondContact CG2-OG1 3.05Å; D138-T168 VanDerWaalsContact OD1-CA 3.29Å; D138-T168 WeakPolarHBondContact OD1-CA 3.42Å; D138-T168 VanDerWaalsContact OD1-CB 3.26Å; D138-T168 WeakPolarHBondContact OD1-CB 3.49Å; D138-T168 WeakPolarHBondContact OD1-CG2 3.3Å; D138-T168 PolarHBondContact OD1-OG1 3.36Å; L148-T168 HydrophobicContact CB-CG2 3.7Å; L148-T168 HydrophobicContact CD2-CG2 3.37Å; L148-T168 HydrophobicContact CG-CG2 4.09Å; L163-T168 PolarHBondContact O-N 3.49Å; T168-V170 PolarHBondContact O-N 2.91Å
169	D	97.3	Very high	97.5	Very high	74 Å²	74	39.5 Å²	39.5	40%	0.396	25%	0.245	S	C	.	.			trans	-72.8	111.3	164.8	177.5	6.2	0	0	0	111.1	D138 G167 N171 L172	D138-D169 PolarHBondContact OD2-N 3.45Å; G167-D169 PolarHBondContact O-N 3.44Å; D169-N171 PolarHBondContact O-N 3.34Å; D169-N171 PolarHBondContact OD1-N 2.9Å; D169-L172 HydrophobicContact CB-CD1 3.94Å; D169-L172 HydrophobicContact CB-CG 3.77Å; D169-L172 PolarHBondContact O-N 3.01Å
170	V	97.9	Very high	97.5	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.055	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18	-179.2	-60.9	0	0	0	0	113.9	L148 V164 T168 L196 H199 A201	L148-V170 HydrophobicContact CD2-CB 4.39Å; L148-V170 HydrophobicContact CD2-CG1 4.14Å; V164-V170 HydrophobicContact CG1-CG1 4.3Å; V164-V170 HydrophobicContact CG2-CG1 3.88Å; T168-V170 PolarHBondContact O-N 2.91Å; V170-L196 HydrophobicContact CG1-CD2 4.28Å; V170-H199 HydrophobicContact CG1-CB 4.29Å; V170-H199 VanDerWaalsContact CG2-O 3.31Å; V170-H199 WeakPolarHBondContact CG2-O 3.31Å; V170-A201 HydrophobicContact CG2-CB 4.47Å
171	N	98.1	Very high	97.5	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	4.1	-175.2	-68.3	-59.5	0	0	0	113.1	D169 G200 A201	D169-N171 PolarHBondContact O-N 3.34Å; D169-N171 PolarHBondContact OD1-N 2.9Å; N171-G200 PolarHBondContact ND2-O 3.09Å; N171-G200 VanDerWaalsContact ND2-O 3.11Å; N171-G200 PolarHBondContact OD1-O 3.33Å; N171-A201 WeakPolarHBondContact OD1-CA 3.46Å
172	L	98	Very high	97.5	Very high	54 Å²	54	35.8 Å²	35.8	28%	0.283	23%	0.229	S	C	.	.			trans	-60.1	145.3	174.5	-78.2	172.7	0	0	0	111.4	D138 T146 M149 D169 D179	D138-L172 HydrophobicContact CB-CD1 3.42Å; D138-L172 VanDerWaalsContact CB-CD1 3.42Å; D138-L172 WeakPolarHBondContact OD2-CD1 3.24Å; T146-L172 HydrophobicContact CG2-CD1 4.33Å; M149-L172 VanDerWaalsContact CE-C 3.48Å; M149-L172 HydrophobicContact CE-CB 4.31Å; M149-L172 WeakPolarHBondContact CE-O 3.16Å; D169-L172 HydrophobicContact CB-CD1 3.94Å; D169-L172 HydrophobicContact CB-CG 3.77Å; D169-L172 PolarHBondContact O-N 3.01Å; L172-D179 VanDerWaalsContact O-CA 3.31Å; L172-D179 WeakPolarHBondContact O-CA 3.48Å; L172-D179 WeakPolarHBondContact O-CB 3.38Å
173	K	98.1	Very high	97.6	Very high	102 Å²	102	35.5 Å²	35.5	44%	0.443	23%	0.227	S	C	.	.			trans	-117.4	140.6	-177.6	-68.6	177.9	175.6	-176.8	0	111.1	G177 K178 D179 R206	K173-G177 VanDerWaalsContact CD-O 3.23Å; K173-G177 WeakPolarHBondContact CD-O 3.33Å; K173-G177 WeakPolarHBondContact CG-O 3.4Å; K173-K178 CarbonylContact C-O 3.5Å; K173-K178 WeakPolarHBondContact CA-O 3.44Å; K173-D179 HydrophobicContact CG-CB 4.33Å; K173-R206 PolarHBondContact NZ-O 3.28Å
174	N	97.6	Very high	97.6	Very high	15 Å²	15	35.5 Å²	35.5	8%	0.08	23%	0.227	C	C	.	.			trans	-76.7	-179.1	172.2	71.7	11.3	0	0	0	111.4	G144 F145 M149 S176 G177 K178	G144-N174 WeakPolarHBondContact O-CB 3.33Å; F145-N174 WeakPolarHBondContact CE1-ND2 3.12Å; M149-N174 HydrophobicContact CE-CB 4.2Å; M149-N174 HydrophobicContact SD-CB 3.88Å; N174-S176 PolarHBondContact O-N 3.5Å; N174-S176 WeakPolarHBondContact OD1-CA 3.48Å; N174-S176 PolarHBondContact OD1-N 2.88Å; N174-S176 PolarHBondContact OD1-OG 3.24Å; N174-G177 PolarHBondContact O-N 2.99Å; N174-G177 PolarHBondContact OD1-N 2.71Å; N174-K178 PolarHBondContact N-O 2.92Å; N174-K178 PolarHBondContact OD1-N 3Å
175	G	97	Very high	97.6	Very high	73 Å²	73	34.6 Å²	34.6	75%	0.753	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-14.8	179.2	0	0	0	0	0	115.4	L208	G175-L208 WeakPolarHBondContact O-CD1 3.14Å
176	S	96.8	Very high	97.7	Very high	40 Å²	40	35.3 Å²	35.3	28%	0.28	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	3.5	173.3	71.1	0	0	0	0	113.7	N174 K178 L208	N174-S176 PolarHBondContact O-N 3.5Å; N174-S176 WeakPolarHBondContact OD1-CA 3.48Å; N174-S176 PolarHBondContact OD1-N 2.88Å; N174-S176 PolarHBondContact OD1-OG 3.24Å; S176-K178 VanDerWaalsContact C-N 3.34Å; S176-K178 WeakPolarHBondContact OG-CG 3.38Å; S176-K178 PolarHBondContact OG-NZ 2.71Å; S176-L208 WeakPolarHBondContact O-CG 3.42Å; S176-L208 PolarHBondContact O-N 2.93Å; S176-L208 VanDerWaalsContact O-N 3.11Å
177	G	97.9	Very high	97.9	Very high	7 Å²	7	32.8 Å²	32.8	7%	0.072	20%	0.201	C	C	.	.	S	Bend	trans	82.1	5.1	-177	0	0	0	0	0	114.7	K173 N174 D207	K173-G177 VanDerWaalsContact CD-O 3.23Å; K173-G177 WeakPolarHBondContact CD-O 3.33Å; K173-G177 WeakPolarHBondContact CG-O 3.4Å; N174-G177 PolarHBondContact O-N 2.99Å; N174-G177 PolarHBondContact OD1-N 2.71Å; G177-D207 VanDerWaalsContact O-CA 3.31Å; G177-D207 WeakPolarHBondContact O-CA 3.45Å
178	K	98.6	Very high	98.1	Very high	40 Å²	40	30.8 Å²	30.8	17%	0.174	18%	0.181	C	C	.	.			trans	-84.8	136.6	-178.4	-61.9	-178.8	-175.3	86.7	0	111.2	K173 N174 S176 M182 L183 D207 W216	K173-K178 CarbonylContact C-O 3.5Å; K173-K178 WeakPolarHBondContact CA-O 3.44Å; N174-K178 PolarHBondContact N-O 2.92Å; N174-K178 PolarHBondContact OD1-N 3Å; S176-K178 VanDerWaalsContact C-N 3.34Å; S176-K178 WeakPolarHBondContact OG-CG 3.38Å; S176-K178 PolarHBondContact OG-NZ 2.71Å; K178-M182 HydrophobicContact CB-SD 4.26Å; K178-M182 HydrophobicContact CG-SD 4.3Å; K178-L183 HydrophobicContact CD-CD2 4.11Å; K178-D207 HydrophobicContact CG-CB 3.98Å; K178-W216 HydrophobicContact CD-CH2 4.47Å; K178-W216 HydrophobicContact CD-CZ2 4.11Å; K178-W216 VanDerWaalsContact CE-CE2 3.49Å
179	D	98.6	Very high	98.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.191	C	C	.	.			trans	-97.7	177	171	63.1	33.8	0	0	0	112.2	L172 K173 L181 M182 L183 A205	L172-D179 VanDerWaalsContact O-CA 3.31Å; L172-D179 WeakPolarHBondContact O-CA 3.48Å; L172-D179 WeakPolarHBondContact O-CB 3.38Å; K173-D179 HydrophobicContact CG-CB 4.33Å; D179-L181 VanDerWaalsContact C-N 3.27Å; D179-L181 PolarHBondContact O-N 2.85Å; D179-L181 WeakPolarHBondContact OD1-CA 3.48Å; D179-L181 WeakPolarHBondContact OD1-CB 3.41Å; D179-L181 PolarHBondContact OD1-N 3.09Å; D179-M182 PolarHBondContact O-N 3.11Å; D179-M182 WeakPolarHBondContact OD1-CG 3.17Å; D179-M182 PolarHBondContact OD1-N 3.29Å; D179-L183 WeakPolarHBondContact O-CG 3.46Å; D179-L183 PolarHBondContact O-N 3.19Å; D179-A205 WeakPolarHBondContact OD2-CB 3.37Å
180	S	98.7	Very high	98.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-30.6	178.4	-65.1	0	0	0	0	113.7	L148 M149 A152 A184	L148-S180 WeakPolarHBondContact CG-OG 3.14Å; M149-S180 WeakPolarHBondContact CA-OG 3.37Å; M149-S180 WeakPolarHBondContact CG-OG 3.49Å; M149-S180 PolarHBondContact N-OG 3.09Å; A152-S180 WeakPolarHBondContact CB-O 3.16Å; S180-A184 WeakPolarHBondContact O-CB 3.37Å; S180-A184 PolarHBondContact O-N 3.14Å
181	L	98.8	Very high	98.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.9	-45.8	-179.5	177.8	64.8	0	0	0	110.6	D179 L183 A184 C185 V193 L196 R197 A201 W203 A213	D179-L181 VanDerWaalsContact C-N 3.27Å; D179-L181 PolarHBondContact O-N 2.85Å; D179-L181 WeakPolarHBondContact OD1-CA 3.48Å; D179-L181 WeakPolarHBondContact OD1-CB 3.41Å; D179-L181 PolarHBondContact OD1-N 3.09Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 PolarHBondContact O-N 3.48Å; L181-A184 PolarHBondContact O-N 3.4Å; L181-C185 WeakPolarHBondContact O-CB 3.48Å; L181-C185 PolarHBondContact O-N 2.91Å; L181-C185 PolarHBondContact O-SG 3.33Å; L181-C185 VanDerWaalsContact O-SG 3.4Å; L181-V193 HydrophobicContact CD1-CB 4.41Å; L181-V193 HydrophobicContact CD1-CG1 3.96Å; L181-V193 HydrophobicContact CD1-CG2 4.49Å; L181-L196 HydrophobicContact CB-CD1 4.38Å; L181-L196 HydrophobicContact CD1-CB 4.34Å; L181-R197 HydrophobicContact CD1-CG 4.07Å; L181-R197 HydrophobicContact CD2-CG 4.42Å; L181-A201 HydrophobicContact CB-CB 4.05Å; L181-A201 HydrophobicContact CD2-CB 3.78Å; L181-A201 HydrophobicContact CG-CB 4.37Å; L181-W203 HydrophobicContact CD1-CH2 4.2Å; L181-W203 HydrophobicContact CD1-CZ3 3.83Å; L181-W203 HydrophobicContact CD2-CE3 3.73Å; L181-W203 HydrophobicContact CD2-CH2 4.48Å; L181-W203 HydrophobicContact CD2-CZ3 3.62Å; L181-W203 HydrophobicContact CG-CE3 4.49Å; L181-W203 HydrophobicContact CG-CZ3 3.96Å; L181-A213 HydrophobicContact CD2-CB 4.38Å; L181-A213 HydrophobicContact CG-CB 4.22Å
182	M	98.8	Very high	98.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-43.3	175.3	-67.4	179.4	-166.6	0	0	111.8	K178 D179 C185 Y186 A205 D207 A213 W216	K178-M182 HydrophobicContact CB-SD 4.26Å; K178-M182 HydrophobicContact CG-SD 4.3Å; D179-M182 PolarHBondContact O-N 3.11Å; D179-M182 WeakPolarHBondContact OD1-CG 3.17Å; D179-M182 PolarHBondContact OD1-N 3.29Å; M182-C185 PolarHBondContact O-N 3.05Å; M182-Y186 WeakPolarHBondContact O-CB 3.42Å; M182-Y186 PolarHBondContact O-N 3.4Å; M182-A205 HydrophobicContact CE-CB 3.84Å; M182-A205 WeakPolarHBondContact CE-O 3.31Å; M182-D207 HydrophobicContact SD-CB 4.05Å; M182-A213 HydrophobicContact CG-CB 4.29Å; M182-W216 HydrophobicContact CB-CG 4.25Å
183	L	98.8	Very high	98.5	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.047	18%	0.175	C	C	.	.	H	α-helix	trans	-67.3	-41.4	179.5	-62.7	172.3	0	0	0	112.2	F145 M149 Q153 K178 D179 L181 Y186 A187	F145-L183 HydrophobicContact CD1-CD1 3.86Å; F145-L183 HydrophobicContact CE1-CD1 3.73Å; F145-L183 HydrophobicContact CE1-CD2 4.12Å; M149-L183 HydrophobicContact CB-CD1 3.61Å; M149-L183 HydrophobicContact CG-CD1 3.95Å; Q153-L183 HydrophobicContact CB-CB 4.06Å; Q153-L183 HydrophobicContact CG-CB 4.42Å; K178-L183 HydrophobicContact CD-CD2 4.11Å; D179-L183 WeakPolarHBondContact O-CG 3.46Å; D179-L183 PolarHBondContact O-N 3.19Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 PolarHBondContact O-N 3.48Å; L183-Y186 PolarHBondContact O-N 3.24Å; L183-A187 WeakPolarHBondContact O-CB 3.48Å; L183-A187 PolarHBondContact O-N 3.03Å
184	A	98.9	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-37.9	175.2	0	0	0	0	0	112.4	A152 S180 L181 A187 G188 H189 V192 V193 L196	A152-A184 HydrophobicContact CB-CB 4.24Å; S180-A184 WeakPolarHBondContact O-CB 3.37Å; S180-A184 PolarHBondContact O-N 3.14Å; L181-A184 PolarHBondContact O-N 3.4Å; A184-A187 PolarHBondContact O-N 3.31Å; A184-G188 PolarHBondContact O-N 2.83Å; A184-H189 PolarHBondContact O-N 2.85Å; A184-V192 HydrophobicContact CB-CB 4.2Å; A184-V192 HydrophobicContact CB-CG1 3.61Å; A184-V193 HydrophobicContact CB-CG2 3.78Å; A184-L196 HydrophobicContact CB-CD1 4.38Å
185	C	98.8	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-47.2	175.4	-81.6	0	0	0	0	111.7	L181 M182 A187 G188 A213 A217 V225 M229	L181-C185 WeakPolarHBondContact O-CB 3.48Å; L181-C185 PolarHBondContact O-N 2.91Å; L181-C185 PolarHBondContact O-SG 3.33Å; L181-C185 VanDerWaalsContact O-SG 3.4Å; M182-C185 PolarHBondContact O-N 3.05Å; C185-A187 VanDerWaalsContact C-N 3.31Å; C185-A187 PolarHBondContact O-N 2.99Å; C185-G188 PolarHBondContact O-N 3.03Å; C185-A213 HydrophobicContact CB-CB 4.42Å; C185-A217 HydrophobicContact CB-CB 4.04Å; C185-V225 HydrophobicContact CB-CG1 4.44Å; C185-M229 VanDerWaalsContact SG-SD 3.69Å
186	Y	98.7	Very high	98.6	Very high	106 Å²	106	25.4 Å²	25.4	42%	0.416	13%	0.132	S	C	.	.	H	α-helix	trans	-58.7	-41.1	175	175.9	-105.3	0	0	0	112.6	M182 L183 W216 D219 G220 H222	M182-Y186 WeakPolarHBondContact O-CB 3.42Å; M182-Y186 PolarHBondContact O-N 3.4Å; L183-Y186 PolarHBondContact O-N 3.24Å; Y186-W216 WeakPolarHBondContact CA-O 3.21Å; Y186-W216 AromaticContact CD2-CE3 3.93Å; Y186-W216 HydrophobicContact CD2-CE3 3.93Å; Y186-W216 HydrophobicContact CD2-CZ3 4.5Å; Y186-W216 HydrophobicContact CG-CE3 4.28Å; Y186-D219 HydrophobicContact CD2-CB 4.2Å; Y186-D219 HydrophobicContact CE2-CB 4.2Å; Y186-G220 WeakPolarHBondContact O-CA 3.35Å; Y186-H222 PolarHBondContact O-CD2 3.12Å; Y186-H222 VanDerWaalsContact O-CD2 3.23Å; Y186-H222 PolarHBondContact O-NE2 3.15Å
187	A	98.6	Very high	98.7	Very high	25 Å²	25	26.2 Å²	26.2	21%	0.207	13%	0.129	C	C	.	.	H	α-helix	trans	-86.3	-3.7	-177.9	0	0	0	0	0	114.6	Q153 L183 A184 C185 H189 H222	Q153-A187 WeakPolarHBondContact O-CB 3.41Å; L183-A187 WeakPolarHBondContact O-CB 3.48Å; L183-A187 PolarHBondContact O-N 3.03Å; A184-A187 PolarHBondContact O-N 3.31Å; C185-A187 VanDerWaalsContact C-N 3.31Å; C185-A187 PolarHBondContact O-N 2.99Å; A187-H189 VanDerWaalsContact CB-CD2 3.48Å; A187-H189 WeakPolarHBondContact CB-CD2 3.45Å; A187-H222 VanDerWaalsContact C-NE2 3.32Å; A187-H222 PolarHBondContact O-NE2 2.85Å
188	G	98.6	Very high	98.7	Very high	17 Å²	17	35 Å²	35	18%	0.175	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	17.1	172.8	0	0	0	0	0	115.7	A184 C185 L190 H222	A184-G188 PolarHBondContact O-N 2.83Å; C185-G188 PolarHBondContact O-N 3.03Å; G188-L190 PolarHBondContact O-N 3.01Å; G188-H222 WeakPolarHBondContact CA-CD2 3.17Å; G188-H222 PolarHBondContact N-CD2 3.06Å; G188-H222 PolarHBondContact N-NE2 3.07Å
189	H	98.8	Very high	98.7	Very high	57 Å²	57	37.1 Å²	37.1	26%	0.264	17%	0.17	S	C	.	.			trans	-86.8	76.7	-173.7	-61.1	-47.8	0	0	0	112.2	A152 Q153 K154 G155 A184 A187 D191 V192 V193	A152-H189 PolarHBondContact O-CD2 3.09Å; Q153-H189 PolarHBondContact O-CD2 3.3Å; Q153-H189 VanDerWaalsContact O-CD2 3.31Å; Q153-H189 PolarHBondContact O-NE2 3.38Å; K154-H189 VanDerWaalsContact C-NE2 3.28Å; G155-H189 WeakPolarHBondContact CA-CD2 3.46Å; G155-H189 PolarHBondContact N-CD2 3.04Å; G155-H189 PolarHBondContact N-NE2 3.44Å; A184-H189 PolarHBondContact O-N 2.85Å; A187-H189 VanDerWaalsContact CB-CD2 3.48Å; A187-H189 WeakPolarHBondContact CB-CD2 3.45Å; H189-D191 VanDerWaalsContact C-N 3.3Å; H189-D191 PolarHBondContact O-N 3.37Å; H189-V192 HydrophobicContact CB-CB 4.06Å; H189-V192 HydrophobicContact CB-CG2 4.11Å; H189-V192 WeakPolarHBondContact O-CB 3.45Å; H189-V192 PolarHBondContact O-N 2.9Å; H189-V193 WeakPolarHBondContact O-CG2 3.29Å; H189-V193 PolarHBondContact O-N 2.8Å
190	L	98.8	Very high	98.7	Very high	38 Å²	38	39.2 Å²	39.2	20%	0.199	19%	0.193	C	C	.	.	H	α-helix	trans	-52.1	-40.8	-173.9	179.5	59.3	0	0	0	114.5	G188 V192 V193 K194 V225 W228	G188-L190 PolarHBondContact O-N 3.01Å; L190-V192 VanDerWaalsContact C-N 3.34Å; L190-V192 PolarHBondContact O-N 3Å; L190-V193 PolarHBondContact O-N 3.29Å; L190-K194 HydrophobicContact CD1-CD 4.24Å; L190-K194 HydrophobicContact CD1-CG 4.2Å; L190-K194 HydrophobicContact CG-CD 4.12Å; L190-K194 WeakPolarHBondContact O-CB 3.36Å; L190-K194 WeakPolarHBondContact O-CG 3.4Å; L190-K194 PolarHBondContact O-N 3.01Å; L190-V225 HydrophobicContact CB-CG2 4.06Å; L190-V225 HydrophobicContact CD1-CG2 4.42Å; L190-W228 HydrophobicContact CD1-CB 3.6Å; L190-W228 HydrophobicContact CD1-CD2 4.09Å; L190-W228 HydrophobicContact CD1-CE3 4.26Å; L190-W228 HydrophobicContact CD1-CG 3.78Å
191	D	98.8	Very high	98.7	Very high	102 Å²	102	39.2 Å²	39.2	55%	0.545	19%	0.192	S	C	.	.	H	α-helix	trans	-67.4	-36.8	-179.7	-69.2	-28.6	0	0	0	112.4	T157 H189 Y195	T157-D191 HydrophobicContact CG2-CB 4.31Å; H189-D191 VanDerWaalsContact C-N 3.3Å; H189-D191 PolarHBondContact O-N 3.37Å; D191-Y195 VanDerWaalsContact O-CB 3.31Å; D191-Y195 WeakPolarHBondContact O-CB 3.45Å; D191-Y195 PolarHBondContact O-N 3.42Å
192	V	98.9	Very high	98.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-46.9	172.7	172.8	0	0	0	0	110	A152 V160 A184 H189 L190 K194 Y195 L196	A152-V192 HydrophobicContact CB-CG1 3.82Å; V160-V192 HydrophobicContact CG1-CG1 4.39Å; V160-V192 HydrophobicContact CG2-CG1 4.06Å; V160-V192 HydrophobicContact CG2-CG2 4.14Å; A184-V192 HydrophobicContact CB-CB 4.2Å; A184-V192 HydrophobicContact CB-CG1 3.61Å; H189-V192 HydrophobicContact CB-CB 4.06Å; H189-V192 HydrophobicContact CB-CG2 4.11Å; H189-V192 WeakPolarHBondContact O-CB 3.45Å; H189-V192 PolarHBondContact O-N 2.9Å; L190-V192 VanDerWaalsContact C-N 3.34Å; L190-V192 PolarHBondContact O-N 3Å; V192-K194 PolarHBondContact O-N 2.87Å; V192-Y195 PolarHBondContact O-N 3.17Å; V192-Y195 VanDerWaalsContact O-N 3.1Å; V192-L196 HydrophobicContact CG1-CD1 3.72Å; V192-L196 HydrophobicContact CG1-CG 4.08Å; V192-L196 WeakPolarHBondContact O-CG 3.34Å; V192-L196 PolarHBondContact O-N 3.47Å
193	V	98.9	Very high	98.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.5	-50.9	178.2	170.8	0	0	0	0	110.8	L181 A184 H189 L190 Y195 L196 R197 W203 V225 W228	L181-V193 HydrophobicContact CD1-CB 4.41Å; L181-V193 HydrophobicContact CD1-CG1 3.96Å; L181-V193 HydrophobicContact CD1-CG2 4.49Å; A184-V193 HydrophobicContact CB-CG2 3.78Å; H189-V193 WeakPolarHBondContact O-CG2 3.29Å; H189-V193 PolarHBondContact O-N 2.8Å; L190-V193 PolarHBondContact O-N 3.29Å; V193-Y195 VanDerWaalsContact C-N 3.31Å; V193-Y195 PolarHBondContact O-N 3.04Å; V193-L196 PolarHBondContact O-N 3.3Å; V193-R197 WeakPolarHBondContact O-CB 3.46Å; V193-R197 WeakPolarHBondContact O-CG 3.24Å; V193-R197 PolarHBondContact O-N 3.25Å; V193-W203 HydrophobicContact CG1-CH2 3.77Å; V193-W203 HydrophobicContact CG1-CZ3 4.43Å; V193-V225 HydrophobicContact CG1-CG1 4.46Å; V193-V225 HydrophobicContact CG2-CG1 4.23Å; V193-W228 HydrophobicContact CG1-CE3 3.87Å; V193-W228 HydrophobicContact CG1-CZ3 3.7Å
194	K	98.8	Very high	98.5	Very high	54 Å²	54	46.9 Å²	46.9	24%	0.235	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-43.7	175.3	-77.7	171.4	176.9	169.4	0	112.2	L190 V192 R198 W228	L190-K194 HydrophobicContact CD1-CD 4.24Å; L190-K194 HydrophobicContact CD1-CG 4.2Å; L190-K194 HydrophobicContact CG-CD 4.12Å; L190-K194 WeakPolarHBondContact O-CB 3.36Å; L190-K194 WeakPolarHBondContact O-CG 3.4Å; L190-K194 PolarHBondContact O-N 3.01Å; V192-K194 PolarHBondContact O-N 2.87Å; K194-R198 WeakPolarHBondContact O-CG 3.28Å; K194-R198 PolarHBondContact O-N 3.34Å; K194-W228 HydrophobicContact CB-CH2 4.42Å; K194-W228 HydrophobicContact CB-CZ2 4.32Å; K194-W228 HydrophobicContact CG-CD2 3.76Å; K194-W228 VanDerWaalsContact CG-CE2 3.47Å; K194-W228 HydrophobicContact CG-CE3 4.12Å; K194-W228 HydrophobicContact CG-CG 4.4Å; K194-W228 HydrophobicContact CG-CH2 3.99Å; K194-W228 HydrophobicContact CG-CZ2 3.62Å; K194-W228 HydrophobicContact CG-CZ3 4.2Å
195	Y	98.9	Very high	98.5	Very high	35 Å²	35	47.6 Å²	47.6	14%	0.137	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-50.1	-178.6	-172	-91.8	0	0	0	111.7	V160 K161 V164 D191 V192 V193 R197 R198 H199	V160-Y195 HydrophobicContact CG1-CD1 3.66Å; V160-Y195 HydrophobicContact CG1-CE1 4.14Å; K161-Y195 HydrophobicContact CB-CE2 4.49Å; K161-Y195 HydrophobicContact CD-CE2 4.29Å; K161-Y195 HydrophobicContact CG-CD2 3.95Å; K161-Y195 HydrophobicContact CG-CE1 4.09Å; K161-Y195 HydrophobicContact CG-CE2 3.49Å; K161-Y195 VanDerWaalsContact CG-CE2 3.49Å; K161-Y195 HydrophobicContact CG-CG 4.42Å; V164-Y195 HydrophobicContact CB-CE1 3.9Å; V164-Y195 HydrophobicContact CG1-CE1 4.04Å; V164-Y195 HydrophobicContact CG2-CE1 3.99Å; D191-Y195 VanDerWaalsContact O-CB 3.31Å; D191-Y195 WeakPolarHBondContact O-CB 3.45Å; D191-Y195 PolarHBondContact O-N 3.42Å; V192-Y195 PolarHBondContact O-N 3.17Å; V192-Y195 VanDerWaalsContact O-N 3.1Å; V193-Y195 VanDerWaalsContact C-N 3.31Å; V193-Y195 PolarHBondContact O-N 3.04Å; Y195-R197 VanDerWaalsContact C-N 3.31Å; Y195-R197 PolarHBondContact O-N 3.29Å; Y195-R198 PolarHBondContact O-N 3.47Å; Y195-H199 AromaticContact CD1-ND1 3.84Å; Y195-H199 AromaticContact CD2-CE1 3.82Å; Y195-H199 AromaticContact CE1-CE1 3.64Å; Y195-H199 AromaticContact CE1-ND1 3.65Å; Y195-H199 AromaticContact CE2-CE1 3.3Å; Y195-H199 WeakPolarHBondContact CE2-CE1 3.49Å; Y195-H199 AromaticContact CE2-ND1 3.96Å; Y195-H199 AromaticContact CZ-CE1 3.2Å; Y195-H199 AromaticContact CZ-ND1 3.72Å; Y195-H199 AromaticContact CZ-NE2 3.6Å; Y195-H199 PolarHBondContact O-N 3.37Å; Y195-H199 PolarHBondContact O-ND1 3.45Å; Y195-H199 PolarHBondContact OH-NE2 2.63Å
196	L	98.8	Very high	98.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-41.9	178.6	-69	176.1	0	0	0	111.6	L148 A152 V160 V164 V170 L181 A184 V192 V193 R198 H199 G200 A201	L148-L196 HydrophobicContact CD1-CD2 4.22Å; L148-L196 HydrophobicContact CD2-CD2 4.05Å; L148-L196 HydrophobicContact CG-CD2 4.46Å; A152-L196 HydrophobicContact CB-CD1 4.21Å; V160-L196 HydrophobicContact CG1-CD2 4.19Å; V164-L196 HydrophobicContact CG2-CD2 4.48Å; V170-L196 HydrophobicContact CG1-CD2 4.28Å; L181-L196 HydrophobicContact CB-CD1 4.38Å; L181-L196 HydrophobicContact CD1-CB 4.34Å; A184-L196 HydrophobicContact CB-CD1 4.38Å; V192-L196 HydrophobicContact CG1-CD1 3.72Å; V192-L196 HydrophobicContact CG1-CG 4.08Å; V192-L196 WeakPolarHBondContact O-CG 3.34Å; V192-L196 PolarHBondContact O-N 3.47Å; V193-L196 PolarHBondContact O-N 3.3Å; L196-R198 PolarHBondContact O-N 2.89Å; L196-H199 CarbonylContact O-C 3.48Å; L196-H199 PolarHBondContact O-N 2.94Å; L196-G200 PolarHBondContact O-N 3.46Å; L196-A201 HydrophobicContact CB-CB 4.01Å; L196-A201 VanDerWaalsContact O-CB 3.31Å; L196-A201 WeakPolarHBondContact O-CB 3.23Å; L196-A201 PolarHBondContact O-N 2.78Å; L196-A201 VanDerWaalsContact O-N 3.11Å
197	R	98.6	Very high	98.4	Very high	57 Å²	57	47.4 Å²	47.4	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-42.9	176.6	-79.8	-67.9	-62.2	111.6	3.3	113.5	L181 V193 Y195 H199 G200 A201 W203 W228 D232	L181-R197 HydrophobicContact CD1-CG 4.07Å; L181-R197 HydrophobicContact CD2-CG 4.42Å; V193-R197 WeakPolarHBondContact O-CB 3.46Å; V193-R197 WeakPolarHBondContact O-CG 3.24Å; V193-R197 PolarHBondContact O-N 3.25Å; Y195-R197 VanDerWaalsContact C-N 3.31Å; Y195-R197 PolarHBondContact O-N 3.29Å; R197-H199 PolarHBondContact O-N 3.41Å; R197-G200 PolarHBondContact O-N 3.03Å; R197-A201 WeakPolarHBondContact CD-O 3.45Å; R197-A201 PolarHBondContact NH1-O 3.38Å; R197-W203 VanDerWaalsContact CD-CE2 3.42Å; R197-W203 HydrophobicContact CG-CH2 3.46Å; R197-W203 VanDerWaalsContact CG-CH2 3.46Å; R197-W203 HydrophobicContact CG-CZ2 3.46Å; R197-W203 VanDerWaalsContact CG-CZ2 3.46Å; R197-W203 HydrophobicContact CG-CZ3 4.14Å; R197-W203 VanDerWaalsContact NE-CZ2 3.28Å; R197-W203 VanDerWaalsContact NE-NE1 3.12Å; R197-W228 HydrophobicContact CB-CH2 3.83Å; R197-W228 HydrophobicContact CB-CZ3 4.32Å; R197-W228 HydrophobicContact CG-CH2 3.93Å; R197-W228 HydrophobicContact CG-CZ3 3.93Å; R197-D232 IonicContact CZ-OD2 3.58Å; R197-D232 VanDerWaalsContact CZ-OD2 3.3Å; R197-D232 IonicContact NE-OD2 3.88Å; R197-D232 PolarHBondContact NE-OD2 3.36Å; R197-D232 IonicContact NH2-OD2 3.72Å; R197-D232 PolarHBondContact NH2-OD2 3.12Å
198	R	98.5	Very high	98.4	Very high	191 Å²	191	53 Å²	53	72%	0.721	26%	0.263	S	S	*	.	H	α-helix	trans	-64.9	-19.8	175	-71.3	171.6	-177.1	167.4	-0.1	113.4	K194 Y195 L196	K194-R198 WeakPolarHBondContact O-CG 3.28Å; K194-R198 PolarHBondContact O-N 3.34Å; Y195-R198 PolarHBondContact O-N 3.47Å; L196-R198 PolarHBondContact O-N 2.89Å
199	H	98.6	Very high	98.3	Very high	84 Å²	84	53.7 Å²	53.7	39%	0.389	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	20.7	-179.7	-66	77.5	0	0	0	112.8	V164 V170 Y195 L196 R197	V164-H199 HydrophobicContact CG1-CB 4.06Å; V170-H199 HydrophobicContact CG1-CB 4.29Å; V170-H199 VanDerWaalsContact CG2-O 3.31Å; V170-H199 WeakPolarHBondContact CG2-O 3.31Å; Y195-H199 AromaticContact CD1-ND1 3.84Å; Y195-H199 AromaticContact CD2-CE1 3.82Å; Y195-H199 AromaticContact CE1-CE1 3.64Å; Y195-H199 AromaticContact CE1-ND1 3.65Å; Y195-H199 AromaticContact CE2-CE1 3.3Å; Y195-H199 WeakPolarHBondContact CE2-CE1 3.49Å; Y195-H199 AromaticContact CE2-ND1 3.96Å; Y195-H199 AromaticContact CZ-CE1 3.2Å; Y195-H199 AromaticContact CZ-ND1 3.72Å; Y195-H199 AromaticContact CZ-NE2 3.6Å; Y195-H199 PolarHBondContact O-N 3.37Å; Y195-H199 PolarHBondContact O-ND1 3.45Å; Y195-H199 PolarHBondContact OH-NE2 2.63Å; L196-H199 CarbonylContact O-C 3.48Å; L196-H199 PolarHBondContact O-N 2.94Å; R197-H199 PolarHBondContact O-N 3.41Å
200	G	97.9	Very high	98.3	Very high	46 Å²	46	51.2 Å²	51.2	47%	0.474	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	9.5	168.6	0	0	0	0	0	115.8	N171 L196 R197	N171-G200 PolarHBondContact ND2-O 3.09Å; N171-G200 VanDerWaalsContact ND2-O 3.11Å; N171-G200 PolarHBondContact OD1-O 3.33Å; L196-G200 PolarHBondContact O-N 3.46Å; R197-G200 PolarHBondContact O-N 3.03Å
201	A	98.4	Very high	98.3	Very high	1 Å²	1	50 Å²	50	1%	0.008	25%	0.254	C	S	.	.			trans	-65.4	140	168.9	0	0	0	0	0	110.6	V170 N171 L181 L196 R197	V170-A201 HydrophobicContact CG2-CB 4.47Å; N171-A201 WeakPolarHBondContact OD1-CA 3.46Å; L181-A201 HydrophobicContact CB-CB 4.05Å; L181-A201 HydrophobicContact CD2-CB 3.78Å; L181-A201 HydrophobicContact CG-CB 4.37Å; L196-A201 HydrophobicContact CB-CB 4.01Å; L196-A201 VanDerWaalsContact O-CB 3.31Å; L196-A201 WeakPolarHBondContact O-CB 3.23Å; L196-A201 PolarHBondContact O-N 2.78Å; L196-A201 VanDerWaalsContact O-N 3.11Å; R197-A201 WeakPolarHBondContact CD-O 3.45Å; R197-A201 PolarHBondContact NH1-O 3.38Å
202	S	97.6	Very high	98.2	Very high	37 Å²	37	45.2 Å²	45.2	26%	0.259	23%	0.229	S	C	.	.			trans	-107.1	140.1	-172.3	169.4	0	0	0	0	113.2	Q204 A205	S202-Q204 PolarHBondContact O-N 2.92Å; S202-Q204 PolarHBondContact OG-N 3.22Å; S202-Q204 PolarHBondContact OG-OE1 3.43Å; S202-A205 PolarHBondContact O-N 3.04Å
203	W	98	Very high	98.2	Very high	11 Å²	11	45.3 Å²	45.3	4%	0.042	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22	169.8	-63.2	137.7	0	0	0	113.4	L181 V193 R197 A205 A213 W228 M229 D232 C234	L181-W203 HydrophobicContact CD1-CH2 4.2Å; L181-W203 HydrophobicContact CD1-CZ3 3.83Å; L181-W203 HydrophobicContact CD2-CE3 3.73Å; L181-W203 HydrophobicContact CD2-CH2 4.48Å; L181-W203 HydrophobicContact CD2-CZ3 3.62Å; L181-W203 HydrophobicContact CG-CE3 4.49Å; L181-W203 HydrophobicContact CG-CZ3 3.96Å; V193-W203 HydrophobicContact CG1-CH2 3.77Å; V193-W203 HydrophobicContact CG1-CZ3 4.43Å; R197-W203 VanDerWaalsContact CD-CE2 3.42Å; R197-W203 HydrophobicContact CG-CH2 3.46Å; R197-W203 VanDerWaalsContact CG-CH2 3.46Å; R197-W203 HydrophobicContact CG-CZ2 3.46Å; R197-W203 VanDerWaalsContact CG-CZ2 3.46Å; R197-W203 HydrophobicContact CG-CZ3 4.14Å; R197-W203 VanDerWaalsContact NE-CZ2 3.28Å; R197-W203 VanDerWaalsContact NE-NE1 3.12Å; W203-A205 VanDerWaalsContact C-N 3.32Å; W203-A213 HydrophobicContact CE3-CB 4.01Å; W203-A213 HydrophobicContact CZ3-CB 4.1Å; W203-W228 HydrophobicContact CH2-CE3 4.35Å; W203-W228 AromaticContact CH2-CZ3 3.72Å; W203-W228 HydrophobicContact CH2-CZ3 3.72Å; W203-W228 HydrophobicContact CZ2-CE3 4.25Å; W203-W228 HydrophobicContact CZ2-CH2 4.21Å; W203-W228 AromaticContact CZ2-CZ3 3.53Å; W203-W228 HydrophobicContact CZ2-CZ3 3.53Å; W203-M229 HydrophobicContact CE3-CE 3.74Å; W203-M229 HydrophobicContact CH2-CB 4.32Å; W203-M229 HydrophobicContact CH2-CE 4.15Å; W203-M229 HydrophobicContact CH2-CG 3.52Å; W203-M229 HydrophobicContact CH2-SD 4.37Å; W203-M229 HydrophobicContact CZ2-CB 4.32Å; W203-M229 HydrophobicContact CZ2-CG 3.99Å; W203-M229 HydrophobicContact CZ3-CE 3.54Å; W203-M229 HydrophobicContact CZ3-CG 3.89Å; W203-M229 HydrophobicContact CZ3-SD 4.18Å; W203-D232 HydrophobicContact CZ2-CB 4.25Å; W203-D232 PolarHBondContact NE1-OD2 3.07Å; W203-C234 HydrophobicContact CD2-CB 4.16Å; W203-C234 HydrophobicContact CG-CB 4.03Å
204	Q	97.3	Very high	98.2	Very high	124 Å²	124	45.3 Å²	45.3	58%	0.579	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.7	-178.4	-63	72.5	34.2	0	0	112.6	S202 R206	S202-Q204 PolarHBondContact O-N 2.92Å; S202-Q204 PolarHBondContact OG-N 3.22Å; S202-Q204 PolarHBondContact OG-OE1 3.43Å; Q204-R206 PolarHBondContact O-N 3.27Å
205	A	98	Very high	98.2	Very high	15 Å²	15	42.7 Å²	42.7	12%	0.124	22%	0.218	C	C	.	.			trans	-59	136.6	174.4	0	0	0	0	0	110.1	D179 M182 S202 W203 T212	D179-A205 WeakPolarHBondContact OD2-CB 3.37Å; M182-A205 HydrophobicContact CE-CB 3.84Å; M182-A205 WeakPolarHBondContact CE-O 3.31Å; S202-A205 PolarHBondContact O-N 3.04Å; W203-A205 VanDerWaalsContact C-N 3.32Å; A205-T212 WeakPolarHBondContact O-CA 3.46Å
206	R	98.2	Very high	98.2	Very high	86 Å²	86	43.1 Å²	43.1	33%	0.325	22%	0.22	S	C	.	.			trans	-126.2	137.2	-178.8	-71.7	176.9	179.6	-95.8	6.3	111.4	K173 Q204 G210 C211 T212 V239	K173-R206 PolarHBondContact NZ-O 3.28Å; Q204-R206 PolarHBondContact O-N 3.27Å; R206-G210 PolarHBondContact NH1-O 3.42Å; R206-C211 WeakPolarHBondContact CA-O 3.39Å; R206-T212 HydrophobicContact CG-CG2 4Å; R206-V239 PolarHBondContact NH1-O 3.15Å; R206-V239 PolarHBondContact NH2-O 2.92Å
207	D	98.3	Very high	98.1	Very high	16 Å²	16	43.1 Å²	43.1	9%	0.086	22%	0.22	C	C	.	.			trans	-78.7	-176.7	169.4	74.6	10.9	0	0	0	111.8	G177 K178 M182 G209 G210 C211 W216	G177-D207 VanDerWaalsContact O-CA 3.31Å; G177-D207 WeakPolarHBondContact O-CA 3.45Å; K178-D207 HydrophobicContact CG-CB 3.98Å; M182-D207 HydrophobicContact SD-CB 4.05Å; D207-G209 PolarHBondContact O-N 3.45Å; D207-G209 WeakPolarHBondContact OD1-CA 2.96Å; D207-G209 PolarHBondContact OD1-N 3.32Å; D207-G210 WeakPolarHBondContact O-CA 3.33Å; D207-G210 PolarHBondContact O-N 3.36Å; D207-G210 PolarHBondContact OD1-N 3.35Å; D207-C211 PolarHBondContact N-O 3.02Å; D207-C211 WeakPolarHBondContact OD1-CB 3.31Å; D207-C211 PolarHBondContact OD1-N 2.94Å; D207-W216 WeakPolarHBondContact OD2-CZ2 3.47Å; D207-W216 PolarHBondContact OD2-NE1 3.35Å
208	L	97.9	Very high	98.1	Very high	141 Å²	141	40.4 Å²	40.4	74%	0.738	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.9	-178.2	-67.1	-179.5	0	0	0	113.7	G175 S176	G175-L208 WeakPolarHBondContact O-CD1 3.14Å; S176-L208 WeakPolarHBondContact O-CG 3.42Å; S176-L208 PolarHBondContact O-N 2.93Å; S176-L208 VanDerWaalsContact O-N 3.11Å
209	G	97.1	Very high	98	Very high	33 Å²	33	33.1 Å²	33.1	34%	0.34	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-2	171.5	0	0	0	0	0	113	D207 C211 T241 G242	D207-G209 PolarHBondContact O-N 3.45Å; D207-G209 WeakPolarHBondContact OD1-CA 2.96Å; D207-G209 PolarHBondContact OD1-N 3.32Å; G209-C211 VanDerWaalsContact C-N 3.28Å; G209-T241 PolarHBondContact O-N 2.74Å; G209-G242 PolarHBondContact O-N 3.18Å
210	G	98	Very high	97.9	Very high	4 Å²	4	30.1 Å²	30.1	4%	0.041	18%	0.177	C	C	.	.			trans	78	9.8	-171.8	0	0	0	0	0	113.6	R206 D207 T241	R206-G210 PolarHBondContact NH1-O 3.42Å; D207-G210 WeakPolarHBondContact O-CA 3.33Å; D207-G210 PolarHBondContact O-N 3.36Å; D207-G210 PolarHBondContact OD1-N 3.35Å; G210-T241 WeakPolarHBondContact CA-OG1 3.43Å
211	C	98.3	Very high	97.9	Very high	12 Å²	12	28.8 Å²	28.8	8%	0.081	16%	0.163	C	C	.	.			trans	-76.3	138.7	-178.5	-58.9	0	0	0	0	110.6	R206 D207 G209 H215 R250	R206-C211 WeakPolarHBondContact CA-O 3.39Å; D207-C211 PolarHBondContact N-O 3.02Å; D207-C211 WeakPolarHBondContact OD1-CB 3.31Å; D207-C211 PolarHBondContact OD1-N 2.94Å; G209-C211 VanDerWaalsContact C-N 3.28Å; C211-H215 HydrophobicContact CB-CB 4.03Å; C211-R250 PolarHBondContact SG-NH1 3.06Å
212	T	98.3	Very high	97.7	Very high	2 Å²	2	32 Å²	32	1%	0.012	18%	0.178	C	C	.	.			trans	-96.1	173	175	67.1	0	0	0	0	111.5	A205 R206 L214 H215 W216 V238	A205-T212 WeakPolarHBondContact O-CA 3.46Å; R206-T212 HydrophobicContact CG-CG2 4Å; T212-L214 PolarHBondContact O-N 3.07Å; T212-L214 VanDerWaalsContact O-N 3.15Å; T212-L214 PolarHBondContact OG1-N 3.23Å; T212-H215 PolarHBondContact N-ND1 2.84Å; T212-H215 VanDerWaalsContact N-ND1 3.17Å; T212-H215 WeakPolarHBondContact O-CB 3.32Å; T212-H215 PolarHBondContact O-N 3.49Å; T212-H215 VanDerWaalsContact O-N 3.12Å; T212-H215 PolarHBondContact OG1-ND1 3.22Å; T212-W216 VanDerWaalsContact O-CD1 3.27Å; T212-W216 PolarHBondContact O-N 3.24Å; T212-V238 HydrophobicContact CG2-CB 4.34Å; T212-V238 HydrophobicContact CG2-CG2 4.26Å; T212-V238 WeakPolarHBondContact OG1-CG2 3.39Å
213	A	98.4	Very high	97.7	Very high	2 Å²	2	31 Å²	31	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-54.8	-32	175	0	0	0	0	0	113.5	L181 M182 C185 W203 W216 A217 M229	L181-A213 HydrophobicContact CD2-CB 4.38Å; L181-A213 HydrophobicContact CG-CB 4.22Å; M182-A213 HydrophobicContact CG-CB 4.29Å; C185-A213 HydrophobicContact CB-CB 4.42Å; W203-A213 HydrophobicContact CE3-CB 4.01Å; W203-A213 HydrophobicContact CZ3-CB 4.1Å; A213-W216 PolarHBondContact O-N 3.07Å; A213-A217 PolarHBondContact O-N 3.42Å; A213-M229 HydrophobicContact CB-CE 4Å
214	L	98.4	Very high	97.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-71.3	-34.8	-179.9	-173.3	57.8	0	0	0	112.3	T212 W216 A217 A218 I226 M229 E235 P247 L264	T212-L214 PolarHBondContact O-N 3.07Å; T212-L214 VanDerWaalsContact O-N 3.15Å; T212-L214 PolarHBondContact OG1-N 3.23Å; L214-W216 VanDerWaalsContact C-N 3.31Å; L214-W216 PolarHBondContact O-N 3.42Å; L214-A217 PolarHBondContact O-N 2.98Å; L214-A218 WeakPolarHBondContact O-CB 3.43Å; L214-A218 PolarHBondContact O-N 2.91Å; L214-I226 HydrophobicContact CD1-CG1 4.35Å; L214-I226 HydrophobicContact CD1-CG2 4.15Å; L214-M229 VanDerWaalsContact CA-CE 3.5Å; L214-M229 HydrophobicContact CB-CE 3.72Å; L214-M229 HydrophobicContact CD1-CE 3.94Å; L214-M229 HydrophobicContact CD1-SD 4.21Å; L214-M229 HydrophobicContact CG-CE 4.42Å; L214-E235 VanDerWaalsContact CD2-O 3.32Å; L214-E235 WeakPolarHBondContact CD2-O 3.47Å; L214-P247 HydrophobicContact CB-CG 4.16Å; L214-P247 HydrophobicContact CD2-CB 4.37Å; L214-P247 HydrophobicContact CD2-CG 3.83Å; L214-P247 HydrophobicContact CG-CB 4.04Å; L214-P247 HydrophobicContact CG-CG 3.7Å; L214-L264 HydrophobicContact CD1-CD2 4.19Å; L214-L264 HydrophobicContact CD2-CD2 4.23Å; L214-L264 HydrophobicContact CG-CD2 4.41Å
215	H	98.4	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-45.1	171.5	-66.3	82.2	0	0	0	110.7	C211 T212 A218 D219 V238 W245 R250	C211-H215 HydrophobicContact CB-CB 4.03Å; T212-H215 PolarHBondContact N-ND1 2.84Å; T212-H215 VanDerWaalsContact N-ND1 3.17Å; T212-H215 WeakPolarHBondContact O-CB 3.32Å; T212-H215 PolarHBondContact O-N 3.49Å; T212-H215 VanDerWaalsContact O-N 3.12Å; T212-H215 PolarHBondContact OG1-ND1 3.22Å; H215-A218 PolarHBondContact O-N 3.33Å; H215-D219 PolarHBondContact O-N 3.07Å; H215-D219 VanDerWaalsContact O-N 3.09Å; H215-V238 PolarHBondContact CE1-O 2.71Å; H215-V238 PolarHBondContact NE2-O 2.67Å; H215-W245 PolarHBondContact NE2-O 2.8Å; H215-R250 PolarHBondContact O-NH2 3.33Å
216	W	98.3	Very high	97.8	Very high	44 Å²	44	26.8 Å²	26.8	17%	0.167	16%	0.156	C	C	.	.	H	α-helix	trans	-67.4	-39.6	178.9	-73.5	109.1	0	0	0	112.7	K178 M182 Y186 D207 T212 A213 L214 A218 D219 G220	K178-W216 HydrophobicContact CD-CH2 4.47Å; K178-W216 HydrophobicContact CD-CZ2 4.11Å; K178-W216 VanDerWaalsContact CE-CE2 3.49Å; M182-W216 HydrophobicContact CB-CG 4.25Å; Y186-W216 WeakPolarHBondContact CA-O 3.21Å; Y186-W216 AromaticContact CD2-CE3 3.93Å; Y186-W216 HydrophobicContact CD2-CE3 3.93Å; Y186-W216 HydrophobicContact CD2-CZ3 4.5Å; Y186-W216 HydrophobicContact CG-CE3 4.28Å; D207-W216 WeakPolarHBondContact OD2-CZ2 3.47Å; D207-W216 PolarHBondContact OD2-NE1 3.35Å; T212-W216 VanDerWaalsContact O-CD1 3.27Å; T212-W216 PolarHBondContact O-N 3.24Å; A213-W216 PolarHBondContact O-N 3.07Å; L214-W216 VanDerWaalsContact C-N 3.31Å; L214-W216 PolarHBondContact O-N 3.42Å; W216-A218 VanDerWaalsContact C-N 3.33Å; W216-A218 PolarHBondContact O-N 3.26Å; W216-D219 PolarHBondContact O-N 3.12Å; W216-G220 PolarHBondContact O-N 3.45Å
217	A	98.3	Very high	97.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-39	173	0	0	0	0	0	112.4	C185 A213 L214 G220 G221 V225 I226 M229	C185-A217 HydrophobicContact CB-CB 4.04Å; A213-A217 PolarHBondContact O-N 3.42Å; L214-A217 PolarHBondContact O-N 2.98Å; A217-G220 PolarHBondContact O-N 3.45Å; A217-G221 PolarHBondContact O-N 3.2Å; A217-V225 HydrophobicContact CB-CG1 4.23Å; A217-I226 HydrophobicContact CB-CD1 4.32Å; A217-I226 HydrophobicContact CB-CG1 3.73Å; A217-M229 HydrophobicContact CB-SD 3.79Å
218	A	97.9	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-40.8	177.6	0	0	0	0	0	112.2	L214 H215 W216 G221 P247 V251 V260	L214-A218 WeakPolarHBondContact O-CB 3.43Å; L214-A218 PolarHBondContact O-N 2.91Å; H215-A218 PolarHBondContact O-N 3.33Å; W216-A218 VanDerWaalsContact C-N 3.33Å; W216-A218 PolarHBondContact O-N 3.26Å; A218-G221 PolarHBondContact O-N 2.95Å; A218-P247 HydrophobicContact CB-CB 4.16Å; A218-V251 HydrophobicContact CB-CG2 3.98Å; A218-V260 HydrophobicContact CB-CG1 4.37Å
219	D	96.9	Very high	97.9	Very high	37 Å²	37	22 Å²	22	20%	0.198	13%	0.131	C	C	.	.	H	α-helix	trans	-63.8	-40.1	172.6	-79.2	10.9	0	0	0	112.6	Y186 H215 W216 G221 R250	Y186-D219 HydrophobicContact CD2-CB 4.2Å; Y186-D219 HydrophobicContact CE2-CB 4.2Å; H215-D219 PolarHBondContact O-N 3.07Å; H215-D219 VanDerWaalsContact O-N 3.09Å; W216-D219 PolarHBondContact O-N 3.12Å; D219-G221 VanDerWaalsContact C-N 3.25Å; D219-G221 PolarHBondContact O-N 3.28Å; D219-R250 VanDerWaalsContact CG-NE 3.35Å; D219-R250 IonicContact OD1-CZ 3.82Å; D219-R250 IonicContact OD1-NE 2.63Å; D219-R250 PolarHBondContact OD1-NE 3.27Å; D219-R250 IonicContact OD1-NH2 2.66Å; D219-R250 PolarHBondContact OD1-NH2 3.01Å; D219-R250 IonicContact OD2-CZ 2.76Å; D219-R250 VanDerWaalsContact OD2-CZ 3.26Å; D219-R250 IonicContact OD2-NE 3.46Å; D219-R250 PolarHBondContact OD2-NE 3Å; D219-R250 IonicContact OD2-NH2 2.86Å; D219-R250 PolarHBondContact OD2-NH2 3.4Å
220	G	96.8	Very high	97.9	Very high	21 Å²	21	22.6 Å²	22.6	22%	0.216	13%	0.126	C	C	.	.	H	α-helix	trans	-69.8	-20.3	177	0	0	0	0	0	113.8	Y186 W216 A217 H222	Y186-G220 WeakPolarHBondContact O-CA 3.35Å; W216-G220 PolarHBondContact O-N 3.45Å; A217-G220 PolarHBondContact O-N 3.45Å; G220-H222 VanDerWaalsContact C-N 3.28Å; G220-H222 PolarHBondContact O-CD2 3.44Å; G220-H222 PolarHBondContact O-N 3.18Å; G220-H222 PolarHBondContact O-NE2 2.9Å
221	G	96.7	Very high	98	Very high	19 Å²	19	31.1 Å²	31.1	20%	0.196	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	9.9	176.3	0	0	0	0	0	115	A217 A218 D219 C223	A217-G221 PolarHBondContact O-N 3.2Å; A218-G221 PolarHBondContact O-N 2.95Å; D219-G221 VanDerWaalsContact C-N 3.25Å; D219-G221 PolarHBondContact O-N 3.28Å; G221-C223 PolarHBondContact O-N 3.5Å; G221-C223 VanDerWaalsContact O-N 3.14Å
222	H	93.7	Very high	98	Very high	67 Å²	67	33.4 Å²	33.4	31%	0.31	17%	0.173	S	C	.	.			trans	-86.2	89.3	-169.7	-59.2	-63.9	0	0	0	112.5	Y186 A187 G188 G220 S224 V225 I226	Y186-H222 PolarHBondContact O-CD2 3.12Å; Y186-H222 VanDerWaalsContact O-CD2 3.23Å; Y186-H222 PolarHBondContact O-NE2 3.15Å; A187-H222 VanDerWaalsContact C-NE2 3.32Å; A187-H222 PolarHBondContact O-NE2 2.85Å; G188-H222 WeakPolarHBondContact CA-CD2 3.17Å; G188-H222 PolarHBondContact N-CD2 3.06Å; G188-H222 PolarHBondContact N-NE2 3.07Å; G220-H222 VanDerWaalsContact C-N 3.28Å; G220-H222 PolarHBondContact O-CD2 3.44Å; G220-H222 PolarHBondContact O-N 3.18Å; G220-H222 PolarHBondContact O-NE2 2.9Å; H222-S224 VanDerWaalsContact C-N 3.32Å; H222-S224 PolarHBondContact O-N 3Å; H222-V225 HydrophobicContact CB-CB 4.3Å; H222-V225 HydrophobicContact CB-CG2 4.22Å; H222-V225 WeakPolarHBondContact O-CB 3.32Å; H222-V225 PolarHBondContact O-N 3.46Å; H222-I226 PolarHBondContact O-N 3.2Å
223	C	98.1	Very high	97.9	Very high	17 Å²	17	36.2 Å²	36.2	12%	0.115	20%	0.203	C	C	.	.	H	α-helix	trans	-52	-43	-176.1	-67.8	0	0	0	0	113.9	G221 V225 I226 E227 L263	G221-C223 PolarHBondContact O-N 3.5Å; G221-C223 VanDerWaalsContact O-N 3.14Å; C223-V225 VanDerWaalsContact C-N 3.28Å; C223-V225 PolarHBondContact O-N 3.07Å; C223-I226 PolarHBondContact O-N 3.23Å; C223-I226 VanDerWaalsContact O-N 3.16Å; C223-E227 WeakPolarHBondContact O-CB 3.41Å; C223-E227 WeakPolarHBondContact O-CG 3.28Å; C223-E227 PolarHBondContact O-N 3.5Å; C223-L263 HydrophobicContact CB-CD1 3.61Å
224	S	98.5	Very high	97.8	Very high	61 Å²	61	36.6 Å²	36.6	43%	0.427	21%	0.205	S	C	.	.	H	α-helix	trans	-64.6	-30.7	-179	57.4	0	0	0	0	113.6	H222 W228	H222-S224 VanDerWaalsContact C-N 3.32Å; H222-S224 PolarHBondContact O-N 3Å; S224-W228 WeakPolarHBondContact O-CB 3.3Å; S224-W228 PolarHBondContact O-N 3.22Å
225	V	98.8	Very high	97.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-70.3	-49.4	172.5	173.2	0	0	0	0	109.8	C185 L190 V193 A217 H222 C223 W228 M229	C185-V225 HydrophobicContact CB-CG1 4.44Å; L190-V225 HydrophobicContact CB-CG2 4.06Å; L190-V225 HydrophobicContact CD1-CG2 4.42Å; V193-V225 HydrophobicContact CG1-CG1 4.46Å; V193-V225 HydrophobicContact CG2-CG1 4.23Å; A217-V225 HydrophobicContact CB-CG1 4.23Å; H222-V225 HydrophobicContact CB-CB 4.3Å; H222-V225 HydrophobicContact CB-CG2 4.22Å; H222-V225 WeakPolarHBondContact O-CB 3.32Å; H222-V225 PolarHBondContact O-N 3.46Å; C223-V225 VanDerWaalsContact C-N 3.28Å; C223-V225 PolarHBondContact O-N 3.07Å; V225-W228 PolarHBondContact O-N 3.14Å; V225-M229 HydrophobicContact CG1-CG 4.16Å; V225-M229 HydrophobicContact CG1-SD 3.72Å; V225-M229 WeakPolarHBondContact O-CG 3.48Å; V225-M229 PolarHBondContact O-N 2.96Å
226	I	98.7	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-47.4	-177.8	-64.4	174.5	0	0	0	111.5	L214 A217 H222 C223 W228 M229 I230 V260 L263 L264	L214-I226 HydrophobicContact CD1-CG1 4.35Å; L214-I226 HydrophobicContact CD1-CG2 4.15Å; A217-I226 HydrophobicContact CB-CD1 4.32Å; A217-I226 HydrophobicContact CB-CG1 3.73Å; H222-I226 PolarHBondContact O-N 3.2Å; C223-I226 PolarHBondContact O-N 3.23Å; C223-I226 VanDerWaalsContact O-N 3.16Å; I226-W228 VanDerWaalsContact C-N 3.25Å; I226-W228 PolarHBondContact O-N 3.37Å; I226-M229 WeakPolarHBondContact O-CB 3.49Å; I226-M229 PolarHBondContact O-N 2.86Å; I226-M229 VanDerWaalsContact O-N 3.16Å; I226-I230 HydrophobicContact CG2-CD1 3.68Å; I226-I230 HydrophobicContact CG2-CG1 4.49Å; I226-I230 WeakPolarHBondContact O-CD1 3.26Å; I226-I230 WeakPolarHBondContact O-CG1 3.23Å; I226-I230 PolarHBondContact O-N 3.49Å; I226-V260 HydrophobicContact CD1-CB 4.35Å; I226-V260 HydrophobicContact CD1-CG1 3.45Å; I226-V260 VanDerWaalsContact CD1-CG1 3.45Å; I226-V260 HydrophobicContact CD1-CG2 4.02Å; I226-L263 HydrophobicContact CG2-CB 4.44Å; I226-L264 HydrophobicContact CG2-CD2 4.12Å
227	E	98.6	Very high	97.5	Very high	99 Å²	99	43.6 Å²	43.6	46%	0.463	24%	0.242	S	C	.	.	H	α-helix	trans	-53.4	-44.7	174.6	-78.1	169.6	-158	0	0	111.5	C223 K231 L263	C223-E227 WeakPolarHBondContact O-CB 3.41Å; C223-E227 WeakPolarHBondContact O-CG 3.28Å; C223-E227 PolarHBondContact O-N 3.5Å; E227-K231 WeakPolarHBondContact O-CB 3.38Å; E227-K231 PolarHBondContact O-N 3.07Å; E227-K231 VanDerWaalsContact O-N 3.1Å; E227-L263 HydrophobicContact CG-CD1 3.78Å; E227-L263 HydrophobicContact CG-CD2 3.49Å; E227-L263 VanDerWaalsContact CG-CD2 3.49Å; E227-L263 HydrophobicContact CG-CG 4.27Å
228	W	98.8	Very high	97.5	Very high	44 Å²	44	44.1 Å²	44.1	17%	0.167	25%	0.245	C	C	.	.	H	α-helix	trans	-70.4	-40.3	179	-174.3	77.3	0	0	0	112.6	L190 V193 K194 R197 W203 S224 V225 I226 I230 K231 D232	L190-W228 HydrophobicContact CD1-CB 3.6Å; L190-W228 HydrophobicContact CD1-CD2 4.09Å; L190-W228 HydrophobicContact CD1-CE3 4.26Å; L190-W228 HydrophobicContact CD1-CG 3.78Å; V193-W228 HydrophobicContact CG1-CE3 3.87Å; V193-W228 HydrophobicContact CG1-CZ3 3.7Å; K194-W228 HydrophobicContact CB-CH2 4.42Å; K194-W228 HydrophobicContact CB-CZ2 4.32Å; K194-W228 HydrophobicContact CG-CD2 3.76Å; K194-W228 VanDerWaalsContact CG-CE2 3.47Å; K194-W228 HydrophobicContact CG-CE3 4.12Å; K194-W228 HydrophobicContact CG-CG 4.4Å; K194-W228 HydrophobicContact CG-CH2 3.99Å; K194-W228 HydrophobicContact CG-CZ2 3.62Å; K194-W228 HydrophobicContact CG-CZ3 4.2Å; R197-W228 HydrophobicContact CB-CH2 3.83Å; R197-W228 HydrophobicContact CB-CZ3 4.32Å; R197-W228 HydrophobicContact CG-CH2 3.93Å; R197-W228 HydrophobicContact CG-CZ3 3.93Å; W203-W228 HydrophobicContact CH2-CE3 4.35Å; W203-W228 AromaticContact CH2-CZ3 3.72Å; W203-W228 HydrophobicContact CH2-CZ3 3.72Å; W203-W228 HydrophobicContact CZ2-CE3 4.25Å; W203-W228 HydrophobicContact CZ2-CH2 4.21Å; W203-W228 AromaticContact CZ2-CZ3 3.53Å; W203-W228 HydrophobicContact CZ2-CZ3 3.53Å; S224-W228 WeakPolarHBondContact O-CB 3.3Å; S224-W228 PolarHBondContact O-N 3.22Å; V225-W228 PolarHBondContact O-N 3.14Å; I226-W228 VanDerWaalsContact C-N 3.25Å; I226-W228 PolarHBondContact O-N 3.37Å; W228-I230 VanDerWaalsContact C-N 3.34Å; W228-I230 PolarHBondContact O-N 3.21Å; W228-K231 PolarHBondContact O-N 3.31Å; W228-D232 HydrophobicContact CH2-CB 4.06Å; W228-D232 HydrophobicContact CZ2-CB 4.11Å; W228-D232 HydrophobicContact CZ3-CB 4.31Å; W228-D232 WeakPolarHBondContact O-CB 3.48Å; W228-D232 PolarHBondContact O-N 3.31Å
229	M	98.5	Very high	97.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-46.5	175.9	-70.2	176.3	66.3	0	0	111.6	C185 W203 A213 L214 A217 V225 I226 D232 G233 C234	C185-M229 VanDerWaalsContact SG-SD 3.69Å; W203-M229 HydrophobicContact CE3-CE 3.74Å; W203-M229 HydrophobicContact CH2-CB 4.32Å; W203-M229 HydrophobicContact CH2-CE 4.15Å; W203-M229 HydrophobicContact CH2-CG 3.52Å; W203-M229 HydrophobicContact CH2-SD 4.37Å; W203-M229 HydrophobicContact CZ2-CB 4.32Å; W203-M229 HydrophobicContact CZ2-CG 3.99Å; W203-M229 HydrophobicContact CZ3-CE 3.54Å; W203-M229 HydrophobicContact CZ3-CG 3.89Å; W203-M229 HydrophobicContact CZ3-SD 4.18Å; A213-M229 HydrophobicContact CB-CE 4Å; L214-M229 VanDerWaalsContact CA-CE 3.5Å; L214-M229 HydrophobicContact CB-CE 3.72Å; L214-M229 HydrophobicContact CD1-CE 3.94Å; L214-M229 HydrophobicContact CD1-SD 4.21Å; L214-M229 HydrophobicContact CG-CE 4.42Å; A217-M229 HydrophobicContact CB-SD 3.79Å; V225-M229 HydrophobicContact CG1-CG 4.16Å; V225-M229 HydrophobicContact CG1-SD 3.72Å; V225-M229 WeakPolarHBondContact O-CG 3.48Å; V225-M229 PolarHBondContact O-N 2.96Å; I226-M229 WeakPolarHBondContact O-CB 3.49Å; I226-M229 PolarHBondContact O-N 2.86Å; I226-M229 VanDerWaalsContact O-N 3.16Å; M229-D232 CarbonylContact O-C 3.54Å; M229-D232 PolarHBondContact O-N 3.39Å; M229-G233 PolarHBondContact O-N 3.31Å; M229-C234 HydrophobicContact CB-CB 3.94Å; M229-C234 WeakPolarHBondContact O-CB 3.47Å; M229-C234 PolarHBondContact O-N 3.2Å
230	I	98.2	Very high	97.4	Very high	45 Å²	45	46 Å²	46	23%	0.231	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-46.7	177.3	-68.2	158.6	0	0	0	110.1	I226 W228 D232 G233 V236 A267	I226-I230 HydrophobicContact CG2-CD1 3.68Å; I226-I230 HydrophobicContact CG2-CG1 4.49Å; I226-I230 WeakPolarHBondContact O-CD1 3.26Å; I226-I230 WeakPolarHBondContact O-CG1 3.23Å; I226-I230 PolarHBondContact O-N 3.49Å; W228-I230 VanDerWaalsContact C-N 3.34Å; W228-I230 PolarHBondContact O-N 3.21Å; I230-D232 PolarHBondContact O-N 3.11Å; I230-G233 PolarHBondContact O-N 2.85Å; I230-V236 HydrophobicContact CG1-CG2 4.15Å; I230-A267 HydrophobicContact CD1-CB 3.67Å; I230-A267 HydrophobicContact CG1-CB 4.07Å; I230-A267 HydrophobicContact CG2-CB 3.67Å
231	K	98.4	Very high	97.4	Very high	184 Å²	184	49 Å²	49	80%	0.8	27%	0.272	S	S	*	.	H	α-helix	trans	-61.1	-31.8	176.6	-175.7	175.1	179.6	174.1	0	112.9	E227 W228 G233	E227-K231 WeakPolarHBondContact O-CB 3.38Å; E227-K231 PolarHBondContact O-N 3.07Å; E227-K231 VanDerWaalsContact O-N 3.1Å; W228-K231 PolarHBondContact O-N 3.31Å; K231-G233 PolarHBondContact O-N 3.46Å
232	D	98.4	Very high	97	Very high	60 Å²	60	50.3 Å²	50.3	32%	0.321	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	10.6	175.9	-164.5	70	0	0	0	113.2	R197 W203 W228 M229 I230	R197-D232 IonicContact CZ-OD2 3.58Å; R197-D232 VanDerWaalsContact CZ-OD2 3.3Å; R197-D232 IonicContact NE-OD2 3.88Å; R197-D232 PolarHBondContact NE-OD2 3.36Å; R197-D232 IonicContact NH2-OD2 3.72Å; R197-D232 PolarHBondContact NH2-OD2 3.12Å; W203-D232 HydrophobicContact CZ2-CB 4.25Å; W203-D232 PolarHBondContact NE1-OD2 3.07Å; W228-D232 HydrophobicContact CH2-CB 4.06Å; W228-D232 HydrophobicContact CZ2-CB 4.11Å; W228-D232 HydrophobicContact CZ3-CB 4.31Å; W228-D232 WeakPolarHBondContact O-CB 3.48Å; W228-D232 PolarHBondContact O-N 3.31Å; M229-D232 CarbonylContact O-C 3.54Å; M229-D232 PolarHBondContact O-N 3.39Å; I230-D232 PolarHBondContact O-N 3.11Å
233	G	96.3	Very high	96.9	Very high	61 Å²	61	49.4 Å²	49.4	63%	0.629	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	23.1	174.8	0	0	0	0	0	114.6	M229 I230 K231 E235	M229-G233 PolarHBondContact O-N 3.31Å; I230-G233 PolarHBondContact O-N 2.85Å; K231-G233 PolarHBondContact O-N 3.46Å; G233-E235 PolarHBondContact O-N 3.41Å
234	C	96.9	Very high	96.9	Very high	10 Å²	10	49.1 Å²	49.1	7%	0.068	29%	0.286	C	S	.	.			trans	-65.4	129.4	171	-175	0	0	0	0	110.7	W203 M229	W203-C234 HydrophobicContact CD2-CB 4.16Å; W203-C234 HydrophobicContact CG-CB 4.03Å; M229-C234 HydrophobicContact CB-CB 3.94Å; M229-C234 WeakPolarHBondContact O-CB 3.47Å; M229-C234 PolarHBondContact O-N 3.2Å
235	E	96.7	Very high	96.8	Very high	121 Å²	121	49.3 Å²	49.3	57%	0.565	28%	0.278	S	S	*	.			trans	-67	131.6	175	-175	-176.5	176.1	0	0	110.4	L214 G233 V238	L214-E235 VanDerWaalsContact CD2-O 3.32Å; L214-E235 WeakPolarHBondContact CD2-O 3.47Å; G233-E235 PolarHBondContact O-N 3.41Å; E235-V238 HydrophobicContact CB-CG1 3.77Å; E235-V238 HydrophobicContact CG-CG1 3.73Å; E235-V238 WeakPolarHBondContact OE2-CG1 3.37Å
236	V	97.1	Very high	96.8	Very high	17 Å²	17	49.3 Å²	49.3	10%	0.103	28%	0.278	C	S	.	.	S	Bend	trans	-88.8	-38.7	-169.7	-179.9	0	0	0	0	112.5	I230 V238 P247 L264 A267 A269	I230-V236 HydrophobicContact CG1-CG2 4.15Å; V236-V238 VanDerWaalsContact C-N 3.33Å; V236-V238 PolarHBondContact O-N 3.23Å; V236-P247 WeakPolarHBondContact O-CD 3.36Å; V236-P247 WeakPolarHBondContact O-CG 3.33Å; V236-L264 HydrophobicContact CG1-CB 4.3Å; V236-L264 HydrophobicContact CG1-CD2 3.98Å; V236-A267 HydrophobicContact CG2-CB 3.96Å; V236-A269 HydrophobicContact CG1-CB 3.68Å
237	D	96.1	Very high	96.8	Very high	52 Å²	52	49.3 Å²	49.3	28%	0.278	28%	0.278	S	S	.	.	S	Bend	trans	-96.3	28.9	-175	-86.1	-18.7	0	0	0	113.6	V239 A269 N270	D237-V239 PolarHBondContact O-N 3.38Å; D237-A269 VanDerWaalsContact OD1-CA 3.29Å; D237-A269 WeakPolarHBondContact OD1-CA 3.36Å; D237-N270 PolarHBondContact OD1-N 3.41Å; D237-N270 VanDerWaalsContact OD1-N 3.16Å; D237-N270 VanDerWaalsContact OD2-CB 3.31Å; D237-N270 WeakPolarHBondContact OD2-CB 3.43Å; D237-N270 PolarHBondContact OD2-N 3.44Å
238	V	96.8	Very high	96.8	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.067	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-61.7	130.2	172.5	-74.5	0	0	0	0	110.5	T212 H215 E235 V236 T246 P247	T212-V238 HydrophobicContact CG2-CB 4.34Å; T212-V238 HydrophobicContact CG2-CG2 4.26Å; T212-V238 WeakPolarHBondContact OG1-CG2 3.39Å; H215-V238 PolarHBondContact CE1-O 2.71Å; H215-V238 PolarHBondContact NE2-O 2.67Å; E235-V238 HydrophobicContact CB-CG1 3.77Å; E235-V238 HydrophobicContact CG-CG1 3.73Å; E235-V238 WeakPolarHBondContact OE2-CG1 3.37Å; V236-V238 VanDerWaalsContact C-N 3.33Å; V236-V238 PolarHBondContact O-N 3.23Å; V238-T246 WeakPolarHBondContact O-CA 3.33Å; V238-P247 HydrophobicContact CG2-CG 4.11Å; V238-P247 VanDerWaalsContact O-CD 3.31Å; V238-P247 WeakPolarHBondContact O-CD 3.37Å
239	V	97.3	Very high	96.8	Very high	66 Å²	66	42.6 Å²	42.6	40%	0.4	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-97.7	139.7	176	-65.3	0	0	0	0	111.4	R206 D237 W245 T246	R206-V239 PolarHBondContact NH1-O 3.15Å; R206-V239 PolarHBondContact NH2-O 2.92Å; D237-V239 PolarHBondContact O-N 3.38Å; V239-W245 CarbonylContact C-O 3.58Å; V239-W245 WeakPolarHBondContact CA-O 3.47Å; V239-T246 HydrophobicContact CG1-CG2 3.84Å
240	D	97.2	Very high	96.7	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.064	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-70.4	168.7	168.3	79	60.6	0	0	0	112.5	G242 S243 G244 W245	D240-G242 WeakPolarHBondContact OD1-CA 3.12Å; D240-G242 PolarHBondContact OD1-N 3.26Å; D240-S243 PolarHBondContact OD1-N 2.91Å; D240-G244 WeakPolarHBondContact O-CA 3.48Å; D240-G244 PolarHBondContact OD1-N 3.32Å; D240-G244 VanDerWaalsContact OD1-N 3.09Å; D240-W245 PolarHBondContact N-O 3.4Å; D240-W245 VanDerWaalsContact OD2-CB 3.23Å; D240-W245 WeakPolarHBondContact OD2-CB 3.37Å; D240-W245 PolarHBondContact OD2-N 3Å
241	T	95.1	Very high	96.7	Very high	84 Å²	84	41.3 Å²	41.3	52%	0.515	24%	0.24	S	C	.	.	S	Bend	trans	-93.9	-14.7	-176.9	-52.6	0	0	0	0	113.3	G209 G210 R276	G209-T241 PolarHBondContact O-N 2.74Å; G210-T241 WeakPolarHBondContact CA-OG1 3.43Å; T241-R276 PolarHBondContact O-NH1 2.91Å; T241-R276 VanDerWaalsContact O-NH1 3.1Å; T241-R276 PolarHBondContact O-NH2 3.23Å
242	G	89.6	Confident	96.7	Very high	45 Å²	45	32.5 Å²	32.5	46%	0.464	20%	0.202	S	C	.	.	S	Bend	trans	-85.4	-58.8	-178.8	0	0	0	0	0	112.7	G209 D240 R276	G209-G242 PolarHBondContact O-N 3.18Å; D240-G242 WeakPolarHBondContact OD1-CA 3.12Å; D240-G242 PolarHBondContact OD1-N 3.26Å; G242-R276 WeakPolarHBondContact O-CD 3.4Å; G242-R276 VanDerWaalsContact O-CZ 3.31Å; G242-R276 PolarHBondContact O-NH1 3.33Å
243	S	91.9	Very high	96.6	Very high	48 Å²	48	30.5 Å²	30.5	34%	0.336	19%	0.194	S	C	.	.	S	Bend	trans	-104.1	-18.7	-174.4	-57.9	0	0	0	0	112.5	D240 W245 R276	D240-S243 PolarHBondContact OD1-N 2.91Å; S243-W245 VanDerWaalsContact C-N 3.31Å; S243-R276 WeakPolarHBondContact O-CG 3.44Å; S243-R276 PolarHBondContact O-N 3.11Å
244	G	96.3	Very high	96.5	Very high	11 Å²	11	31.7 Å²	31.7	11%	0.113	19%	0.189	C	C	.	.			trans	71.5	29.6	-169.1	0	0	0	0	0	111.7	D240	D240-G244 WeakPolarHBondContact O-CA 3.48Å; D240-G244 PolarHBondContact OD1-N 3.32Å; D240-G244 VanDerWaalsContact OD1-N 3.09Å
245	W	97.9	Very high	96.5	Very high	66 Å²	66	33.6 Å²	33.6	25%	0.25	20%	0.202	C	C	.	.			trans	-84.4	142	178.5	-66.1	-10.8	0	0	0	111	H215 V239 D240 S243 M249 A253 D275	H215-W245 PolarHBondContact NE2-O 2.8Å; V239-W245 CarbonylContact C-O 3.58Å; V239-W245 WeakPolarHBondContact CA-O 3.47Å; D240-W245 PolarHBondContact N-O 3.4Å; D240-W245 VanDerWaalsContact OD2-CB 3.23Å; D240-W245 WeakPolarHBondContact OD2-CB 3.37Å; D240-W245 PolarHBondContact OD2-N 3Å; S243-W245 VanDerWaalsContact C-N 3.31Å; W245-M249 HydrophobicContact CB-CB 3.72Å; W245-M249 HydrophobicContact CB-SD 4.22Å; W245-M249 HydrophobicContact CG-CB 3.93Å; W245-M249 HydrophobicContact CG-SD 4.16Å; W245-A253 HydrophobicContact CE3-CB 4.36Å; W245-A253 HydrophobicContact CH2-CB 3.84Å; W245-A253 HydrophobicContact CZ3-CB 3.69Å; W245-D275 PolarHBondContact NE1-OD2 3.1Å; W245-D275 VanDerWaalsContact NE1-OD2 3.07Å
246	T	98.4	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.18	C	C	.	.			trans	-85.8	167.5	165.6	64.7	0	0	0	0	110.8	V238 V239 L248 M249 R250 V273	V238-T246 WeakPolarHBondContact O-CA 3.33Å; V239-T246 HydrophobicContact CG1-CG2 3.84Å; T246-L248 PolarHBondContact O-N 3.29Å; T246-L248 PolarHBondContact OG1-N 3Å; T246-M249 WeakPolarHBondContact O-CB 3.45Å; T246-M249 PolarHBondContact O-N 2.74Å; T246-M249 PolarHBondContact OG1-N 3.03Å; T246-R250 PolarHBondContact O-N 2.71Å; T246-V273 HydrophobicContact CG2-CB 4.45Å; T246-V273 HydrophobicContact CG2-CG1 3.93Å; T246-V273 HydrophobicContact CG2-CG2 3.95Å
247	P	98.4	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-52	-36.4	169.2	-29.4	36.1	0	0	0	113.4	L214 A218 V236 V238 R250 V251 L264	L214-P247 HydrophobicContact CB-CG 4.16Å; L214-P247 HydrophobicContact CD2-CB 4.37Å; L214-P247 HydrophobicContact CD2-CG 3.83Å; L214-P247 HydrophobicContact CG-CB 4.04Å; L214-P247 HydrophobicContact CG-CG 3.7Å; A218-P247 HydrophobicContact CB-CB 4.16Å; V236-P247 WeakPolarHBondContact O-CD 3.36Å; V236-P247 WeakPolarHBondContact O-CG 3.33Å; V238-P247 HydrophobicContact CG2-CG 4.11Å; V238-P247 VanDerWaalsContact O-CD 3.31Å; V238-P247 WeakPolarHBondContact O-CD 3.37Å; P247-R250 WeakPolarHBondContact O-CB 3.3Å; P247-R250 PolarHBondContact O-N 2.89Å; P247-V251 WeakPolarHBondContact O-CG2 3.41Å; P247-V251 PolarHBondContact O-N 3.42Å; P247-V251 VanDerWaalsContact O-N 3.09Å; P247-L264 HydrophobicContact CB-CD1 3.93Å; P247-L264 HydrophobicContact CB-CD2 4.21Å
248	L	98.6	Very high	96.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-66.2	-40.3	175.9	-177.3	61.1	0	0	0	111.9	T246 R250 V251 S252 A261 L264 I265 A269 V271 P281 L297	T246-L248 PolarHBondContact O-N 3.29Å; T246-L248 PolarHBondContact OG1-N 3Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 2.89Å; L248-V251 PolarHBondContact O-N 3.05Å; L248-S252 PolarHBondContact O-N 3.02Å; L248-S252 PolarHBondContact O-OG 2.96Å; L248-A261 HydrophobicContact CD1-CB 3.86Å; L248-L264 HydrophobicContact CB-CD1 4.41Å; L248-I265 HydrophobicContact CD1-CD1 4.2Å; L248-I265 HydrophobicContact CD1-CG1 4.14Å; L248-I265 HydrophobicContact CD2-CD1 4.39Å; L248-I265 HydrophobicContact CD2-CG1 3.95Å; L248-A269 HydrophobicContact CB-CB 4.45Å; L248-A269 HydrophobicContact CD2-CB 4.23Å; L248-V271 HydrophobicContact CD2-CG1 4.36Å; L248-P281 HydrophobicContact CD2-CB 4.22Å; L248-P281 HydrophobicContact CD2-CG 4.04Å; L248-P281 HydrophobicContact CG-CB 4.09Å; L248-P281 HydrophobicContact CG-CG 4.2Å; L248-L297 HydrophobicContact CD1-CD2 4.38Å; L248-L297 HydrophobicContact CD2-CD2 4.3Å
249	M	98.4	Very high	96.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-36.3	173.9	-75.7	-174.6	159.4	0	0	112.7	W245 T246 S252 A253 V273 D275 K279 P281	W245-M249 HydrophobicContact CB-CB 3.72Å; W245-M249 HydrophobicContact CB-SD 4.22Å; W245-M249 HydrophobicContact CG-CB 3.93Å; W245-M249 HydrophobicContact CG-SD 4.16Å; T246-M249 WeakPolarHBondContact O-CB 3.45Å; T246-M249 PolarHBondContact O-N 2.74Å; T246-M249 PolarHBondContact OG1-N 3.03Å; M249-S252 WeakPolarHBondContact O-CB 3.19Å; M249-S252 PolarHBondContact O-N 2.9Å; M249-A253 WeakPolarHBondContact O-CB 3.3Å; M249-A253 PolarHBondContact O-N 3.2Å; M249-V273 HydrophobicContact CE-CG1 3.72Å; M249-V273 WeakPolarHBondContact CE-O 3.45Å; M249-V273 HydrophobicContact CG-CG1 4.2Å; M249-V273 HydrophobicContact SD-CG1 4.21Å; M249-D275 HydrophobicContact CE-CB 4Å; M249-D275 HydrophobicContact SD-CB 3.85Å; M249-K279 WeakPolarHBondContact CE-O 3.46Å; M249-P281 HydrophobicContact CE-CG 4.28Å; M249-P281 HydrophobicContact CG-CB 4.48Å; M249-P281 HydrophobicContact CG-CG 3.91Å
250	R	97.3	Very high	96.8	Very high	18 Å²	18	35.4 Å²	35.4	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-46.8	173.8	-72.9	-85.9	-77.5	-99.7	-2.4	111.6	C211 H215 D219 T246 P247 L248 S252 A253 V254	C211-R250 PolarHBondContact SG-NH1 3.06Å; H215-R250 PolarHBondContact O-NH2 3.33Å; D219-R250 VanDerWaalsContact CG-NE 3.35Å; D219-R250 IonicContact OD1-CZ 3.82Å; D219-R250 IonicContact OD1-NE 2.63Å; D219-R250 PolarHBondContact OD1-NE 3.27Å; D219-R250 IonicContact OD1-NH2 2.66Å; D219-R250 PolarHBondContact OD1-NH2 3.01Å; D219-R250 IonicContact OD2-CZ 2.76Å; D219-R250 VanDerWaalsContact OD2-CZ 3.26Å; D219-R250 IonicContact OD2-NE 3.46Å; D219-R250 PolarHBondContact OD2-NE 3Å; D219-R250 IonicContact OD2-NH2 2.86Å; D219-R250 PolarHBondContact OD2-NH2 3.4Å; T246-R250 PolarHBondContact O-N 2.71Å; P247-R250 WeakPolarHBondContact O-CB 3.3Å; P247-R250 PolarHBondContact O-N 2.89Å; L248-R250 VanDerWaalsContact C-N 3.32Å; L248-R250 PolarHBondContact O-N 2.89Å; R250-S252 VanDerWaalsContact C-N 3.31Å; R250-S252 PolarHBondContact O-N 3.18Å; R250-A253 PolarHBondContact O-N 2.84Å; R250-A253 VanDerWaalsContact O-N 3.07Å; R250-V254 WeakPolarHBondContact O-CB 3.4Å; R250-V254 WeakPolarHBondContact O-CG2 3.22Å; R250-V254 PolarHBondContact O-N 3.47Å
251	V	97.9	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58	-45.4	174.5	178.2	0	0	0	0	110.7	A218 P247 L248 A253 S255 G256 N257 V260 A261 L264 L293	A218-V251 HydrophobicContact CB-CG2 3.98Å; P247-V251 WeakPolarHBondContact O-CG2 3.41Å; P247-V251 PolarHBondContact O-N 3.42Å; P247-V251 VanDerWaalsContact O-N 3.09Å; L248-V251 PolarHBondContact O-N 3.05Å; V251-A253 VanDerWaalsContact C-N 3.25Å; V251-A253 PolarHBondContact O-N 2.66Å; V251-S255 PolarHBondContact O-N 3.48Å; V251-G256 PolarHBondContact O-N 3.2Å; V251-N257 HydrophobicContact CG1-CB 4.37Å; V251-N257 WeakPolarHBondContact CG1-O 3.44Å; V251-V260 HydrophobicContact CG2-CB 4.26Å; V251-V260 HydrophobicContact CG2-CG1 3.59Å; V251-A261 HydrophobicContact CG1-CB 4.15Å; V251-L264 HydrophobicContact CG2-CD1 4.12Å; V251-L293 HydrophobicContact CG1-CD2 4.2Å
252	S	98.1	Very high	97	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-26.9	175.9	-69.4	0	0	0	0	114.6	L248 M249 R250 P281 H290	L248-S252 PolarHBondContact O-N 3.02Å; L248-S252 PolarHBondContact O-OG 2.96Å; M249-S252 WeakPolarHBondContact O-CB 3.19Å; M249-S252 PolarHBondContact O-N 2.9Å; R250-S252 VanDerWaalsContact C-N 3.31Å; R250-S252 PolarHBondContact O-N 3.18Å; S252-P281 VanDerWaalsContact CB-O 3.3Å; S252-P281 WeakPolarHBondContact CB-O 3.31Å; S252-P281 PolarHBondContact OG-O 2.97Å; S252-H290 PolarHBondContact O-CD2 3.41Å
253	A	96.8	Very high	97.4	Very high	18 Å²	18	32 Å²	32	15%	0.149	17%	0.169	C	C	.	.	H	α-helix	trans	-89.5	-35.5	-177.7	0	0	0	0	0	113.2	W245 M249 R250 V251 V284	W245-A253 HydrophobicContact CE3-CB 4.36Å; W245-A253 HydrophobicContact CH2-CB 3.84Å; W245-A253 HydrophobicContact CZ3-CB 3.69Å; M249-A253 WeakPolarHBondContact O-CB 3.3Å; M249-A253 PolarHBondContact O-N 3.2Å; R250-A253 PolarHBondContact O-N 2.84Å; R250-A253 VanDerWaalsContact O-N 3.07Å; V251-A253 VanDerWaalsContact C-N 3.25Å; V251-A253 PolarHBondContact O-N 2.66Å; A253-V284 HydrophobicContact CB-CG1 3.69Å
254	V	94.7	Very high	97.8	Very high	86 Å²	86	29.7 Å²	29.7	52%	0.521	15%	0.153	S	C	.	.	H	α-helix	trans	-109	-51	-164.6	-179.5	0	0	0	0	112.5	R250	R250-V254 WeakPolarHBondContact O-CB 3.4Å; R250-V254 WeakPolarHBondContact O-CG2 3.22Å; R250-V254 PolarHBondContact O-N 3.47Å
255	S	95.9	Very high	97.9	Very high	49 Å²	49	30.1 Å²	30.1	34%	0.343	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-27.7	-163.4	66.5	0	0	0	0	114.8	V251 N257	V251-S255 PolarHBondContact O-N 3.48Å; S255-N257 PolarHBondContact O-N 3.03Å; S255-N257 PolarHBondContact OG-N 3.33Å
256	G	97.3	Very high	97.9	Very high	10 Å²	10	32.2 Å²	32.2	10%	0.103	17%	0.169	C	C	.	.			trans	65.7	11.7	-172.9	0	0	0	0	0	114.3	V251 Q258 H290	V251-G256 PolarHBondContact O-N 3.2Å; G256-Q258 PolarHBondContact O-N 3.39Å; G256-H290 VanDerWaalsContact CA-CD2 3.41Å; G256-H290 WeakPolarHBondContact CA-CD2 3.42Å; G256-H290 VanDerWaalsContact CA-CG 3.45Å; G256-H290 PolarHBondContact N-NE2 2.9Å
257	N	98.1	Very high	97.9	Very high	49 Å²	49	34 Å²	34	26%	0.262	18%	0.184	S	C	.	.			trans	-68.2	102.1	-170.3	-174.5	-25.5	0	0	0	112.2	V251 S255 R259 V260 A261	V251-N257 HydrophobicContact CG1-CB 4.37Å; V251-N257 WeakPolarHBondContact CG1-O 3.44Å; S255-N257 PolarHBondContact O-N 3.03Å; S255-N257 PolarHBondContact OG-N 3.33Å; N257-R259 VanDerWaalsContact C-N 3.25Å; N257-R259 PolarHBondContact O-N 3.46Å; N257-R259 WeakPolarHBondContact OD1-CB 3.32Å; N257-R259 PolarHBondContact OD1-N 2.89Å; N257-V260 HydrophobicContact CB-CB 4.34Å; N257-V260 HydrophobicContact CB-CG2 4.35Å; N257-V260 PolarHBondContact O-N 3.25Å; N257-V260 PolarHBondContact OD1-N 3.26Å; N257-A261 PolarHBondContact O-N 3Å
258	Q	97.9	Very high	97.8	Very high	66 Å²	66	36.7 Å²	36.7	31%	0.308	21%	0.212	S	C	.	.	H	α-helix	trans	-57.5	-33.5	-179.4	-73.3	-169	-33.2	0	0	114.1	G256 S262 E292 L296	G256-Q258 PolarHBondContact O-N 3.39Å; Q258-S262 VanDerWaalsContact O-CB 3.31Å; Q258-S262 WeakPolarHBondContact O-CB 3.38Å; Q258-S262 PolarHBondContact O-N 2.83Å; Q258-S262 PolarHBondContact O-OG 3.34Å; Q258-E292 HydrophobicContact CG-CB 3.97Å; Q258-E292 VanDerWaalsContact NE2-CB 3.33Å; Q258-E292 PolarHBondContact NE2-O 2.9Å; Q258-L296 HydrophobicContact CB-CD2 4.02Å; Q258-L296 HydrophobicContact CG-CD2 4.26Å; Q258-L296 WeakPolarHBondContact O-CD2 3.36Å
259	R	98.3	Very high	97.8	Very high	180 Å²	180	37 Å²	37	68%	0.679	21%	0.214	S	C	*	.	H	α-helix	trans	-69.6	-44.9	-178	-65.3	-175.8	64.7	-172.6	-1	110.6	N257 S262 L263	N257-R259 VanDerWaalsContact C-N 3.25Å; N257-R259 PolarHBondContact O-N 3.46Å; N257-R259 WeakPolarHBondContact OD1-CB 3.32Å; N257-R259 PolarHBondContact OD1-N 2.89Å; R259-S262 PolarHBondContact O-N 3.42Å; R259-L263 WeakPolarHBondContact O-CG 3.37Å; R259-L263 PolarHBondContact O-N 2.84Å
260	V	98.6	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-45.2	174.9	176.1	0	0	0	0	110.8	A218 I226 V251 N257 S262 L263 L264	A218-V260 HydrophobicContact CB-CG1 4.37Å; I226-V260 HydrophobicContact CD1-CB 4.35Å; I226-V260 HydrophobicContact CD1-CG1 3.45Å; I226-V260 VanDerWaalsContact CD1-CG1 3.45Å; I226-V260 HydrophobicContact CD1-CG2 4.02Å; V251-V260 HydrophobicContact CG2-CB 4.26Å; V251-V260 HydrophobicContact CG2-CG1 3.59Å; N257-V260 HydrophobicContact CB-CB 4.34Å; N257-V260 HydrophobicContact CB-CG2 4.35Å; N257-V260 PolarHBondContact O-N 3.25Å; N257-V260 PolarHBondContact OD1-N 3.26Å; V260-S262 VanDerWaalsContact C-N 3.31Å; V260-S262 PolarHBondContact O-N 3.08Å; V260-L263 PolarHBondContact O-N 3.26Å; V260-L264 HydrophobicContact CG1-CD1 3.99Å; V260-L264 HydrophobicContact CG1-CG 4.36Å; V260-L264 WeakPolarHBondContact O-CG 3.34Å; V260-L264 PolarHBondContact O-N 3.36Å
261	A	98.6	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-44.6	176.4	0	0	0	0	0	111.7	L248 V251 N257 L263 L264 I265 L293 L296	L248-A261 HydrophobicContact CD1-CB 3.86Å; V251-A261 HydrophobicContact CG1-CB 4.15Å; N257-A261 PolarHBondContact O-N 3Å; A261-L263 PolarHBondContact O-N 3.24Å; A261-L264 PolarHBondContact O-N 2.88Å; A261-I265 WeakPolarHBondContact O-CB 3.29Å; A261-I265 WeakPolarHBondContact O-CD1 3.34Å; A261-I265 WeakPolarHBondContact O-CG1 3.37Å; A261-I265 PolarHBondContact O-N 3.13Å; A261-L293 HydrophobicContact CB-CD1 3.39Å; A261-L296 HydrophobicContact CB-CD2 3.9Å
262	S	98.6	Very high	97.9	Very high	31 Å²	31	43 Å²	43	22%	0.217	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-46.3	177.1	-60.4	0	0	0	0	111.5	Q258 R259 V260 L264 I265 D266 L296	Q258-S262 VanDerWaalsContact O-CB 3.31Å; Q258-S262 WeakPolarHBondContact O-CB 3.38Å; Q258-S262 PolarHBondContact O-N 2.83Å; Q258-S262 PolarHBondContact O-OG 3.34Å; R259-S262 PolarHBondContact O-N 3.42Å; V260-S262 VanDerWaalsContact C-N 3.31Å; V260-S262 PolarHBondContact O-N 3.08Å; S262-L264 PolarHBondContact O-N 3.42Å; S262-I265 PolarHBondContact O-N 3.18Å; S262-D266 VanDerWaalsContact O-CB 3.27Å; S262-D266 WeakPolarHBondContact O-CB 3.45Å; S262-D266 PolarHBondContact O-N 3.29Å; S262-L296 WeakPolarHBondContact OG-CD2 3.39Å
263	L	98.3	Very high	97.9	Very high	39 Å²	39	44.1 Å²	44.1	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-58.5	-44.8	176.9	-75.6	172.4	0	0	0	112.8	C223 I226 E227 R259 V260 A261 A267	C223-L263 HydrophobicContact CB-CD1 3.61Å; I226-L263 HydrophobicContact CG2-CB 4.44Å; E227-L263 HydrophobicContact CG-CD1 3.78Å; E227-L263 HydrophobicContact CG-CD2 3.49Å; E227-L263 VanDerWaalsContact CG-CD2 3.49Å; E227-L263 HydrophobicContact CG-CG 4.27Å; R259-L263 WeakPolarHBondContact O-CG 3.37Å; R259-L263 PolarHBondContact O-N 2.84Å; V260-L263 PolarHBondContact O-N 3.26Å; A261-L263 PolarHBondContact O-N 3.24Å; L263-A267 VanDerWaalsContact O-CB 3.23Å; L263-A267 WeakPolarHBondContact O-CB 3.5Å; L263-A267 PolarHBondContact O-N 3.44Å
264	L	98.6	Very high	97.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-45.8	178.6	-65.7	171.2	0	0	0	111	L214 I226 V236 P247 L248 V251 V260 A261 S262 A267 G268 A269	L214-L264 HydrophobicContact CD1-CD2 4.19Å; L214-L264 HydrophobicContact CD2-CD2 4.23Å; L214-L264 HydrophobicContact CG-CD2 4.41Å; I226-L264 HydrophobicContact CG2-CD2 4.12Å; V236-L264 HydrophobicContact CG1-CB 4.3Å; V236-L264 HydrophobicContact CG1-CD2 3.98Å; P247-L264 HydrophobicContact CB-CD1 3.93Å; P247-L264 HydrophobicContact CB-CD2 4.21Å; L248-L264 HydrophobicContact CB-CD1 4.41Å; V251-L264 HydrophobicContact CG2-CD1 4.12Å; V260-L264 HydrophobicContact CG1-CD1 3.99Å; V260-L264 HydrophobicContact CG1-CG 4.36Å; V260-L264 WeakPolarHBondContact O-CG 3.34Å; V260-L264 PolarHBondContact O-N 3.36Å; A261-L264 PolarHBondContact O-N 2.88Å; S262-L264 PolarHBondContact O-N 3.42Å; L264-A267 CarbonylContact O-C 3.52Å; L264-A267 PolarHBondContact O-N 3.39Å; L264-G268 PolarHBondContact O-N 2.67Å; L264-A269 VanDerWaalsContact C-CB 3.49Å; L264-A269 HydrophobicContact CB-CB 4.03Å; L264-A269 WeakPolarHBondContact O-CB 3.39Å; L264-A269 PolarHBondContact O-N 2.99Å
265	I	98.7	Very high	98	Very high	20 Å²	20	45.2 Å²	45.2	10%	0.103	25%	0.25	C	C	.	.	H	α-helix	trans	-64.7	-45	-179.8	-66.1	166.3	0	0	0	111.2	L248 A261 S262 A267 G268 V271 L297 K300	L248-I265 HydrophobicContact CD1-CD1 4.2Å; L248-I265 HydrophobicContact CD1-CG1 4.14Å; L248-I265 HydrophobicContact CD2-CD1 4.39Å; L248-I265 HydrophobicContact CD2-CG1 3.95Å; A261-I265 WeakPolarHBondContact O-CB 3.29Å; A261-I265 WeakPolarHBondContact O-CD1 3.34Å; A261-I265 WeakPolarHBondContact O-CG1 3.37Å; A261-I265 PolarHBondContact O-N 3.13Å; S262-I265 PolarHBondContact O-N 3.18Å; I265-A267 PolarHBondContact O-N 3.23Å; I265-G268 WeakPolarHBondContact O-CA 3.34Å; I265-G268 PolarHBondContact O-N 3.09Å; I265-V271 HydrophobicContact CB-CG1 4.44Å; I265-V271 HydrophobicContact CD1-CG1 3.84Å; I265-V271 HydrophobicContact CG1-CG1 3.73Å; I265-V271 HydrophobicContact CG2-CG1 3.87Å; I265-L297 HydrophobicContact CD1-CD2 3.95Å; I265-K300 HydrophobicContact CD1-CB 4.27Å; I265-K300 HydrophobicContact CD1-CG 4.21Å; I265-K300 HydrophobicContact CG2-CB 4Å; I265-K300 HydrophobicContact CG2-CD 3.88Å; I265-K300 HydrophobicContact CG2-CG 3.98Å
266	D	98.3	Very high	98	Very high	110 Å²	110	50.2 Å²	50.2	59%	0.588	26%	0.261	S	S	*	.	H	α-helix	trans	-66.2	-25	178.4	-67	-17.6	0	0	0	111.5	S262 G268 K300	S262-D266 VanDerWaalsContact O-CB 3.27Å; S262-D266 WeakPolarHBondContact O-CB 3.45Å; S262-D266 PolarHBondContact O-N 3.29Å; D266-G268 VanDerWaalsContact C-N 3.27Å; D266-K300 IonicContact OD1-NZ 2.67Å; D266-K300 PolarHBondContact OD1-NZ 2.66Å
267	A	98.1	Very high	97.9	Very high	38 Å²	38	53.1 Å²	53.1	31%	0.314	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	6.1	170.8	0	0	0	0	0	114.3	I230 V236 L263 L264 I265	I230-A267 HydrophobicContact CD1-CB 3.67Å; I230-A267 HydrophobicContact CG1-CB 4.07Å; I230-A267 HydrophobicContact CG2-CB 3.67Å; V236-A267 HydrophobicContact CG2-CB 3.96Å; L263-A267 VanDerWaalsContact O-CB 3.23Å; L263-A267 WeakPolarHBondContact O-CB 3.5Å; L263-A267 PolarHBondContact O-N 3.44Å; L264-A267 CarbonylContact O-C 3.52Å; L264-A267 PolarHBondContact O-N 3.39Å; I265-A267 PolarHBondContact O-N 3.23Å
268	G	97.8	Very high	97.8	Very high	56 Å²	56	50.9 Å²	50.9	58%	0.577	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.6	12.9	173.2	0	0	0	0	0	115.6	L264 I265 D266 N270	L264-G268 PolarHBondContact O-N 2.67Å; I265-G268 WeakPolarHBondContact O-CA 3.34Å; I265-G268 PolarHBondContact O-N 3.09Å; D266-G268 VanDerWaalsContact C-N 3.27Å; G268-N270 PolarHBondContact O-N 3.28Å
269	A	98.4	Very high	97.8	Very high	7 Å²	7	50.1 Å²	50.1	6%	0.058	26%	0.258	C	S	.	.			trans	-58.6	131.4	174.2	0	0	0	0	0	111.5	V236 D237 L248 L264 V271	V236-A269 HydrophobicContact CG1-CB 3.68Å; D237-A269 VanDerWaalsContact OD1-CA 3.29Å; D237-A269 WeakPolarHBondContact OD1-CA 3.36Å; L248-A269 HydrophobicContact CB-CB 4.45Å; L248-A269 HydrophobicContact CD2-CB 4.23Å; L264-A269 VanDerWaalsContact C-CB 3.49Å; L264-A269 HydrophobicContact CB-CB 4.03Å; L264-A269 WeakPolarHBondContact O-CB 3.39Å; L264-A269 PolarHBondContact O-N 2.99Å; A269-V271 PolarHBondContact O-N 3.43Å
270	N	98.4	Very high	97.8	Very high	77 Å²	77	41.5 Å²	41.5	41%	0.412	23%	0.226	S	C	.	.			trans	-72	103.9	177.8	-177.5	-2.3	0	0	0	111.3	D237 G268 N272 V273	D237-N270 PolarHBondContact OD1-N 3.41Å; D237-N270 VanDerWaalsContact OD1-N 3.16Å; D237-N270 VanDerWaalsContact OD2-CB 3.31Å; D237-N270 WeakPolarHBondContact OD2-CB 3.43Å; D237-N270 PolarHBondContact OD2-N 3.44Å; G268-N270 PolarHBondContact O-N 3.28Å; N270-N272 PolarHBondContact O-N 3.46Å; N270-N272 WeakPolarHBondContact OD1-CA 3.06Å; N270-N272 PolarHBondContact OD1-N 3.33Å; N270-V273 HydrophobicContact CB-CB 4.32Å; N270-V273 WeakPolarHBondContact O-CG1 3.41Å; N270-V273 PolarHBondContact O-N 2.8Å; N270-V273 VanDerWaalsContact O-N 3.15Å; N270-V273 PolarHBondContact OD1-N 2.85Å
271	V	98.5	Very high	97.8	Very high	16 Å²	16	41.5 Å²	41.5	10%	0.097	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.3	177.5	-63.6	0	0	0	0	114.4	L248 I265 A269 P281 K300	L248-V271 HydrophobicContact CD2-CG1 4.36Å; I265-V271 HydrophobicContact CB-CG1 4.44Å; I265-V271 HydrophobicContact CD1-CG1 3.84Å; I265-V271 HydrophobicContact CG1-CG1 3.73Å; I265-V271 HydrophobicContact CG2-CG1 3.87Å; A269-V271 PolarHBondContact O-N 3.43Å; V271-P281 WeakPolarHBondContact O-CD 3.25Å; V271-K300 HydrophobicContact CG1-CB 4.26Å
272	N	98.1	Very high	97.8	Very high	51 Å²	51	41.5 Å²	41.5	27%	0.273	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	15.2	-177.4	-70.1	-48.5	0	0	0	113.3	N270 G301 A302 D303	N270-N272 PolarHBondContact O-N 3.46Å; N270-N272 WeakPolarHBondContact OD1-CA 3.06Å; N270-N272 PolarHBondContact OD1-N 3.33Å; N272-G301 PolarHBondContact ND2-O 2.71Å; N272-A302 WeakPolarHBondContact OD1-CA 3.28Å; N272-D303 PolarHBondContact OD1-N 2.94Å
273	V	97.6	Very high	97.8	Very high	24 Å²	24	40.1 Å²	40.1	15%	0.145	22%	0.216	C	C	.	.			trans	-56	148.7	173.3	68.3	0	0	0	0	110.8	T246 M249 N270 T280 P281	T246-V273 HydrophobicContact CG2-CB 4.45Å; T246-V273 HydrophobicContact CG2-CG1 3.93Å; T246-V273 HydrophobicContact CG2-CG2 3.95Å; M249-V273 HydrophobicContact CE-CG1 3.72Å; M249-V273 WeakPolarHBondContact CE-O 3.45Å; M249-V273 HydrophobicContact CG-CG1 4.2Å; M249-V273 HydrophobicContact SD-CG1 4.21Å; N270-V273 HydrophobicContact CB-CB 4.32Å; N270-V273 WeakPolarHBondContact O-CG1 3.41Å; N270-V273 PolarHBondContact O-N 2.8Å; N270-V273 VanDerWaalsContact O-N 3.15Å; N270-V273 PolarHBondContact OD1-N 2.85Å; V273-T280 WeakPolarHBondContact O-CA 3.26Å; V273-P281 HydrophobicContact CG1-CG 3.86Å; V273-P281 VanDerWaalsContact O-CD 3.31Å; V273-P281 WeakPolarHBondContact O-CD 3.42Å
274	K	97.1	Very high	97.8	Very high	113 Å²	113	38.5 Å²	38.5	49%	0.491	21%	0.208	S	C	.	.			trans	-116.5	134.8	179.9	-69.8	-176.7	-178.6	-174.6	0	110.4	K279 T280	K274-K279 WeakPolarHBondContact CA-O 3.47Å; K274-T280 HydrophobicContact CG-CG2 4.18Å
275	D	96.4	Very high	97.8	Very high	13 Å²	13	38.5 Å²	38.5	7%	0.07	21%	0.208	C	C	.	.			trans	-79.2	-176.9	172	76.8	0.6	0	0	0	111	W245 M249 N277 G278 K279	W245-D275 PolarHBondContact NE1-OD2 3.1Å; W245-D275 VanDerWaalsContact NE1-OD2 3.07Å; M249-D275 HydrophobicContact CE-CB 4Å; M249-D275 HydrophobicContact SD-CB 3.85Å; D275-N277 PolarHBondContact O-N 3.42Å; D275-N277 VanDerWaalsContact O-N 3.09Å; D275-N277 VanDerWaalsContact OD1-C 3.31Å; D275-N277 WeakPolarHBondContact OD1-CA 3.38Å; D275-N277 PolarHBondContact OD1-N 3.37Å; D275-G278 PolarHBondContact O-N 3.01Å; D275-G278 PolarHBondContact OD1-N 3.17Å; D275-G278 VanDerWaalsContact OD1-N 3.11Å; D275-K279 PolarHBondContact N-O 3.07Å; D275-K279 WeakPolarHBondContact OD1-CB 3.43Å; D275-K279 PolarHBondContact OD1-N 2.98Å
276	R	95.4	Very high	97.8	Very high	154 Å²	154	37.5 Å²	37.5	58%	0.581	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.8	178.8	-71.7	177.5	174.7	-169.2	-6.3	114.7	T241 G242 S243	T241-R276 PolarHBondContact O-NH1 2.91Å; T241-R276 VanDerWaalsContact O-NH1 3.1Å; T241-R276 PolarHBondContact O-NH2 3.23Å; G242-R276 WeakPolarHBondContact O-CD 3.4Å; G242-R276 VanDerWaalsContact O-CZ 3.31Å; G242-R276 PolarHBondContact O-NH1 3.33Å; S243-R276 WeakPolarHBondContact O-CG 3.44Å; S243-R276 PolarHBondContact O-N 3.11Å
277	N	95.7	Very high	97.7	Very high	72 Å²	72	34.1 Å²	34.1	39%	0.385	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	13	175.8	-62	122.1	0	0	0	112.2	D275 K279 N308 E309 F310	D275-N277 PolarHBondContact O-N 3.42Å; D275-N277 VanDerWaalsContact O-N 3.09Å; D275-N277 VanDerWaalsContact OD1-C 3.31Å; D275-N277 WeakPolarHBondContact OD1-CA 3.38Å; D275-N277 PolarHBondContact OD1-N 3.37Å; N277-K279 HydrophobicContact CB-CG 4.41Å; N277-K279 PolarHBondContact O-N 2.83Å; N277-N308 WeakPolarHBondContact O-CB 3.2Å; N277-E309 VanDerWaalsContact C-CG 3.44Å; N277-E309 WeakPolarHBondContact O-CG 3.38Å; N277-E309 PolarHBondContact O-N 2.8Å; N277-F310 HydrophobicContact CB-CE2 4.29Å
278	G	97	Very high	97.6	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.021	19%	0.186	C	C	.	.	S	Bend	trans	71.7	11.5	179.8	0	0	0	0	0	113.6	D275	D275-G278 PolarHBondContact O-N 3.01Å; D275-G278 PolarHBondContact OD1-N 3.17Å; D275-G278 VanDerWaalsContact OD1-N 3.11Å
279	K	98.1	Very high	97.5	Very high	49 Å²	49	35.4 Å²	35.4	21%	0.213	17%	0.173	C	C	.	.			trans	-78.1	140.3	177.9	-63.2	174.3	-179.7	166.8	0	109.8	M249 K274 D275 N277 M283 V284 N308	M249-K279 WeakPolarHBondContact CE-O 3.46Å; K274-K279 WeakPolarHBondContact CA-O 3.47Å; D275-K279 PolarHBondContact N-O 3.07Å; D275-K279 WeakPolarHBondContact OD1-CB 3.43Å; D275-K279 PolarHBondContact OD1-N 2.98Å; N277-K279 HydrophobicContact CB-CG 4.41Å; N277-K279 PolarHBondContact O-N 2.83Å; K279-M283 HydrophobicContact CB-CB 4.32Å; K279-M283 HydrophobicContact CB-SD 4.35Å; K279-V284 HydrophobicContact CB-CG2 4.12Å; K279-N308 HydrophobicContact CG-CB 4.2Å
280	T	98.4	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.			trans	-95.9	164.5	174.2	65.4	0	0	0	0	111.5	V273 K274 L282 M283 V284 V306	V273-T280 WeakPolarHBondContact O-CA 3.26Å; K274-T280 HydrophobicContact CG-CG2 4.18Å; T280-L282 PolarHBondContact O-N 3.35Å; T280-L282 VanDerWaalsContact O-N 3.15Å; T280-M283 WeakPolarHBondContact O-CB 3.39Å; T280-M283 PolarHBondContact O-N 2.94Å; T280-M283 PolarHBondContact OG1-N 3.4Å; T280-V284 WeakPolarHBondContact O-CG2 3.21Å; T280-V284 PolarHBondContact O-N 3.3Å; T280-V306 HydrophobicContact CG2-CB 4.25Å; T280-V306 HydrophobicContact CG2-CG1 3.79Å
281	P	98.6	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-52.9	-35.7	173.8	-25.6	34.5	0	0	0	112.9	L248 M249 S252 V271 V273 V284 A285 L297	L248-P281 HydrophobicContact CD2-CB 4.22Å; L248-P281 HydrophobicContact CD2-CG 4.04Å; L248-P281 HydrophobicContact CG-CB 4.09Å; L248-P281 HydrophobicContact CG-CG 4.2Å; M249-P281 HydrophobicContact CE-CG 4.28Å; M249-P281 HydrophobicContact CG-CB 4.48Å; M249-P281 HydrophobicContact CG-CG 3.91Å; S252-P281 VanDerWaalsContact CB-O 3.3Å; S252-P281 WeakPolarHBondContact CB-O 3.31Å; S252-P281 PolarHBondContact OG-O 2.97Å; V271-P281 WeakPolarHBondContact O-CD 3.25Å; V273-P281 HydrophobicContact CG1-CG 3.86Å; V273-P281 VanDerWaalsContact O-CD 3.31Å; V273-P281 WeakPolarHBondContact O-CD 3.42Å; P281-V284 PolarHBondContact O-N 3.42Å; P281-A285 WeakPolarHBondContact O-CB 3.22Å; P281-A285 PolarHBondContact O-N 3.11Å; P281-L297 HydrophobicContact CB-CD1 4.25Å; P281-L297 HydrophobicContact CB-CD2 4.33Å
282	L	98.6	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-47.3	175.3	177.3	64.8	0	0	0	111.7	T280 V284 A285 V286 V294 L297 L298 A302 A304 V314	T280-L282 PolarHBondContact O-N 3.35Å; T280-L282 VanDerWaalsContact O-N 3.15Å; L282-V284 VanDerWaalsContact C-N 3.31Å; L282-V284 PolarHBondContact O-N 2.9Å; L282-A285 PolarHBondContact O-N 3.12Å; L282-V286 WeakPolarHBondContact O-CG2 3.36Å; L282-V286 PolarHBondContact O-N 3.46Å; L282-V294 HydrophobicContact CD1-CB 4.42Å; L282-V294 HydrophobicContact CD1-CG1 3.88Å; L282-L297 HydrophobicContact CB-CD1 4.4Å; L282-L297 HydrophobicContact CD1-CB 4.22Å; L282-L298 HydrophobicContact CD1-CD2 4.12Å; L282-L298 HydrophobicContact CD1-CG 3.95Å; L282-L298 HydrophobicContact CD2-CD2 3.71Å; L282-L298 HydrophobicContact CD2-CG 4.45Å; L282-A302 HydrophobicContact CB-CB 3.99Å; L282-A302 HydrophobicContact CD2-CB 3.96Å; L282-A302 HydrophobicContact CG-CB 4.41Å; L282-A304 HydrophobicContact CD2-CB 4.15Å; L282-V314 HydrophobicContact CD2-CG1 4.39Å; L282-V314 HydrophobicContact CD2-CG2 4.31Å; L282-V314 HydrophobicContact CG-CG2 4.01Å
283	M	98.4	Very high	97.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-40.5	177.4	-68.5	177.5	-179.4	0	0	112.2	K279 T280 V286 L287 V306 N308 V314 M317	K279-M283 HydrophobicContact CB-CB 4.32Å; K279-M283 HydrophobicContact CB-SD 4.35Å; T280-M283 WeakPolarHBondContact O-CB 3.39Å; T280-M283 PolarHBondContact O-N 2.94Å; T280-M283 PolarHBondContact OG1-N 3.4Å; M283-V286 PolarHBondContact O-N 3.15Å; M283-L287 PolarHBondContact O-N 3.2Å; M283-V306 VanDerWaalsContact CE-C 3.42Å; M283-V306 HydrophobicContact CE-CB 4.02Å; M283-V306 HydrophobicContact CE-CG1 3.87Å; M283-V306 WeakPolarHBondContact CE-O 3.14Å; M283-N308 HydrophobicContact SD-CB 4.04Å; M283-V314 HydrophobicContact CG-CB 4.33Å; M283-M317 HydrophobicContact CB-SD 4.01Å; M283-M317 HydrophobicContact CG-SD 4.16Å; M283-M317 HydrophobicContact SD-SD 4.29Å
284	V	98.1	Very high	97.4	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-67	-41.9	178.2	-179.2	0	0	0	0	110.8	A253 K279 T280 P281 L282 V286 L287 N288	A253-V284 HydrophobicContact CB-CG1 3.69Å; K279-V284 HydrophobicContact CB-CG2 4.12Å; T280-V284 WeakPolarHBondContact O-CG2 3.21Å; T280-V284 PolarHBondContact O-N 3.3Å; P281-V284 PolarHBondContact O-N 3.42Å; L282-V284 VanDerWaalsContact C-N 3.31Å; L282-V284 PolarHBondContact O-N 2.9Å; V284-V286 VanDerWaalsContact C-N 3.34Å; V284-V286 PolarHBondContact O-N 3.44Å; V284-L287 WeakPolarHBondContact O-CB 3.26Å; V284-L287 PolarHBondContact O-N 3.2Å; V284-N288 PolarHBondContact O-N 3.3Å; V284-N288 PolarHBondContact O-ND2 3Å
285	A	98.3	Very high	97.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64	-37.8	176.2	0	0	0	0	0	112.3	P281 L282 N288 N289 H290 L293 V294 L297	P281-A285 WeakPolarHBondContact O-CB 3.22Å; P281-A285 PolarHBondContact O-N 3.11Å; L282-A285 PolarHBondContact O-N 3.12Å; A285-N288 PolarHBondContact O-N 3.43Å; A285-N289 PolarHBondContact O-N 2.9Å; A285-N289 VanDerWaalsContact O-N 3.12Å; A285-H290 HydrophobicContact CB-CB 4.4Å; A285-H290 PolarHBondContact O-N 3.18Å; A285-L293 HydrophobicContact CB-CD2 4.04Å; A285-L293 HydrophobicContact CB-CG 4.16Å; A285-V294 HydrophobicContact CB-CG2 3.8Å; A285-L297 HydrophobicContact CB-CD1 3.98Å
286	V	98.1	Very high	97.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.2	-44.2	173.9	167.3	0	0	0	0	111.6	L282 M283 V284 N288 N289 V294 V314 A318 V326	L282-V286 WeakPolarHBondContact O-CG2 3.36Å; L282-V286 PolarHBondContact O-N 3.46Å; M283-V286 PolarHBondContact O-N 3.15Å; V284-V286 VanDerWaalsContact C-N 3.34Å; V284-V286 PolarHBondContact O-N 3.44Å; V286-N288 PolarHBondContact O-N 3.21Å; V286-N289 PolarHBondContact O-N 3.12Å; V286-N289 VanDerWaalsContact O-N 3.12Å; V286-V294 HydrophobicContact CG2-CG1 4.14Å; V286-V294 HydrophobicContact CG2-CG2 3.61Å; V286-V314 HydrophobicContact CB-CG2 3.96Å; V286-V314 HydrophobicContact CG1-CG2 4.23Å; V286-V314 HydrophobicContact CG2-CG2 3.36Å; V286-A318 HydrophobicContact CG1-CB 3.68Å; V286-V326 HydrophobicContact CB-CG1 4.41Å; V286-V326 HydrophobicContact CG1-CG1 4.07Å; V286-V326 HydrophobicContact CG2-CG1 3.64Å
287	L	96.1	Very high	97.6	Very high	39 Å²	39	29.9 Å²	29.9	20%	0.204	15%	0.147	C	C	.	.	H	α-helix	trans	-54.9	-41.8	177.8	-177.4	66.4	0	0	0	111.5	M283 V284 M317 F321 R323	M283-L287 PolarHBondContact O-N 3.2Å; V284-L287 WeakPolarHBondContact O-CB 3.26Å; V284-L287 PolarHBondContact O-N 3.2Å; L287-M317 HydrophobicContact CB-CE 4.45Å; L287-M317 HydrophobicContact CD1-CE 4.39Å; L287-F321 HydrophobicContact CD1-CD1 3.89Å; L287-F321 HydrophobicContact CD1-CD2 3.55Å; L287-F321 HydrophobicContact CD1-CE1 3.62Å; L287-F321 HydrophobicContact CD1-CE2 3.27Å; L287-F321 HydrophobicContact CD1-CG 3.87Å; L287-F321 HydrophobicContact CD1-CZ 3.31Å; L287-R323 PolarHBondContact O-NE 3.49Å; L287-R323 PolarHBondContact O-NH2 3.26Å
288	N	95.8	Very high	97.7	Very high	64 Å²	64	27.3 Å²	27.3	34%	0.342	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	8.2	-177.9	-64.5	-65.4	0	0	0	114.5	V284 A285 V286 H290	V284-N288 PolarHBondContact O-N 3.3Å; V284-N288 PolarHBondContact O-ND2 3Å; A285-N288 PolarHBondContact O-N 3.43Å; V286-N288 PolarHBondContact O-N 3.21Å; N288-H290 VanDerWaalsContact C-N 3.32Å; N288-H290 PolarHBondContact O-N 3.1Å
289	N	96.1	Very high	97.8	Very high	56 Å²	56	31.7 Å²	31.7	30%	0.299	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	38.9	179.9	-157	52.9	0	0	0	115	A285 V286 E291 R323	A285-N289 PolarHBondContact O-N 2.9Å; A285-N289 VanDerWaalsContact O-N 3.12Å; V286-N289 PolarHBondContact O-N 3.12Å; V286-N289 VanDerWaalsContact O-N 3.12Å; N289-E291 VanDerWaalsContact C-N 3.28Å; N289-E291 PolarHBondContact ND2-OE1 2.89Å; N289-E291 PolarHBondContact O-N 3.05Å; N289-R323 WeakPolarHBondContact OD1-CD 3.29Å
290	H	97.5	Very high	97.8	Very high	41 Å²	41	33.3 Å²	33.3	19%	0.19	16%	0.164	C	C	.	.			trans	-85	71.2	174.3	-60.8	-37	0	0	0	110.4	S252 G256 A285 N288 E292 L293 V294	S252-H290 PolarHBondContact O-CD2 3.41Å; G256-H290 VanDerWaalsContact CA-CD2 3.41Å; G256-H290 WeakPolarHBondContact CA-CD2 3.42Å; G256-H290 VanDerWaalsContact CA-CG 3.45Å; G256-H290 PolarHBondContact N-NE2 2.9Å; A285-H290 HydrophobicContact CB-CB 4.4Å; A285-H290 PolarHBondContact O-N 3.18Å; N288-H290 VanDerWaalsContact C-N 3.32Å; N288-H290 PolarHBondContact O-N 3.1Å; H290-E292 VanDerWaalsContact C-N 3.3Å; H290-E292 PolarHBondContact O-N 3.4Å; H290-L293 HydrophobicContact CB-CB 3.86Å; H290-L293 HydrophobicContact CB-CD2 4.4Å; H290-L293 CarbonylContact O-C 3.59Å; H290-L293 WeakPolarHBondContact O-CB 3.4Å; H290-L293 PolarHBondContact O-N 3Å; H290-V294 WeakPolarHBondContact O-CG2 3.42Å; H290-V294 PolarHBondContact O-N 3.07Å
291	E	96.6	Very high	97.7	Very high	77 Å²	77	35.6 Å²	35.6	36%	0.36	19%	0.187	S	C	.	.	H	α-helix	trans	-53.3	-45.4	-170.9	-53.9	-174.1	-178.4	0	0	113.1	N289 V294 Q295 S325 V326	N289-E291 VanDerWaalsContact C-N 3.28Å; N289-E291 PolarHBondContact ND2-OE1 2.89Å; N289-E291 PolarHBondContact O-N 3.05Å; E291-V294 WeakPolarHBondContact O-CB 3.34Å; E291-V294 PolarHBondContact O-N 3.23Å; E291-Q295 PolarHBondContact O-N 2.57Å; E291-S325 WeakPolarHBondContact OE1-CB 3.33Å; E291-S325 PolarHBondContact OE1-OG 3.06Å; E291-S325 WeakPolarHBondContact OE2-CB 3.35Å; E291-S325 PolarHBondContact OE2-OG 2.9Å; E291-V326 HydrophobicContact CG-CG2 3.99Å
292	E	97.5	Very high	97.7	Very high	134 Å²	134	36.1 Å²	36.1	63%	0.626	19%	0.191	S	C	*	.	H	α-helix	trans	-62.2	-45.2	177.1	-68.3	-167.7	172.4	0	0	111.5	Q258 H290 V294 Q295 L296	Q258-E292 HydrophobicContact CG-CB 3.97Å; Q258-E292 VanDerWaalsContact NE2-CB 3.33Å; Q258-E292 PolarHBondContact NE2-O 2.9Å; H290-E292 VanDerWaalsContact C-N 3.3Å; H290-E292 PolarHBondContact O-N 3.4Å; E292-V294 VanDerWaalsContact C-N 3.34Å; E292-V294 PolarHBondContact O-N 3.09Å; E292-Q295 WeakPolarHBondContact O-CB 3.3Å; E292-Q295 PolarHBondContact O-N 3.4Å; E292-L296 PolarHBondContact O-N 3.3Å
293	L	98.5	Very high	97.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-37.1	176.2	179.5	58.7	0	0	0	112	V251 A261 A285 H290 Q295 L296 L297	V251-L293 HydrophobicContact CG1-CD2 4.2Å; A261-L293 HydrophobicContact CB-CD1 3.39Å; A285-L293 HydrophobicContact CB-CD2 4.04Å; A285-L293 HydrophobicContact CB-CG 4.16Å; H290-L293 HydrophobicContact CB-CB 3.86Å; H290-L293 HydrophobicContact CB-CD2 4.4Å; H290-L293 CarbonylContact O-C 3.59Å; H290-L293 WeakPolarHBondContact O-CB 3.4Å; H290-L293 PolarHBondContact O-N 3Å; L293-Q295 VanDerWaalsContact C-N 3.33Å; L293-Q295 PolarHBondContact O-N 3.4Å; L293-L296 HydrophobicContact CD1-CD2 4.1Å; L293-L296 PolarHBondContact O-N 3.44Å; L293-L297 HydrophobicContact CD1-CD1 4.18Å; L293-L297 HydrophobicContact CD1-CG 4Å; L293-L297 HydrophobicContact CG-CD1 3.9Å; L293-L297 HydrophobicContact CG-CG 4.22Å; L293-L297 WeakPolarHBondContact O-CB 3.28Å; L293-L297 VanDerWaalsContact O-CG 3.26Å; L293-L297 WeakPolarHBondContact O-CG 3.43Å; L293-L297 PolarHBondContact O-N 2.81Å
294	V	98.4	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-47.3	174.6	168.8	0	0	0	0	110.2	L282 A285 V286 H290 E291 E292 L297 L298 V326 L329	L282-V294 HydrophobicContact CD1-CB 4.42Å; L282-V294 HydrophobicContact CD1-CG1 3.88Å; A285-V294 HydrophobicContact CB-CG2 3.8Å; V286-V294 HydrophobicContact CG2-CG1 4.14Å; V286-V294 HydrophobicContact CG2-CG2 3.61Å; H290-V294 WeakPolarHBondContact O-CG2 3.42Å; H290-V294 PolarHBondContact O-N 3.07Å; E291-V294 WeakPolarHBondContact O-CB 3.34Å; E291-V294 PolarHBondContact O-N 3.23Å; E292-V294 VanDerWaalsContact C-N 3.34Å; E292-V294 PolarHBondContact O-N 3.09Å; V294-L297 PolarHBondContact O-N 2.79Å; V294-L298 HydrophobicContact CG1-CD1 3.92Å; V294-L298 VanDerWaalsContact O-CG 3.25Å; V294-L298 WeakPolarHBondContact O-CG 3.49Å; V294-L298 PolarHBondContact O-N 2.93Å; V294-V326 HydrophobicContact CG1-CG1 4.2Å; V294-L329 HydrophobicContact CG1-CD2 4.05Å
295	Q	97.6	Very high	97.3	Very high	64 Å²	64	45.6 Å²	45.6	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-57.9	-49.5	175.4	174.2	64.5	23.1	0	0	111.3	E291 E292 L293 L297 L298 D299 L329	E291-Q295 PolarHBondContact O-N 2.57Å; E292-Q295 WeakPolarHBondContact O-CB 3.3Å; E292-Q295 PolarHBondContact O-N 3.4Å; L293-Q295 VanDerWaalsContact C-N 3.33Å; L293-Q295 PolarHBondContact O-N 3.4Å; Q295-L297 PolarHBondContact O-N 3.49Å; Q295-L298 PolarHBondContact O-N 3.17Å; Q295-D299 PolarHBondContact NE2-OD1 3.06Å; Q295-D299 PolarHBondContact NE2-OD2 3.16Å; Q295-D299 VanDerWaalsContact O-CG 3.29Å; Q295-D299 PolarHBondContact O-N 2.95Å; Q295-L329 HydrophobicContact CB-CD2 4.23Å
296	L	98.5	Very high	97.2	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-47.4	177.8	174.4	65.6	0	0	0	112.3	Q258 A261 S262 E292 L293 L298 D299 K300	Q258-L296 HydrophobicContact CB-CD2 4.02Å; Q258-L296 HydrophobicContact CG-CD2 4.26Å; Q258-L296 WeakPolarHBondContact O-CD2 3.36Å; A261-L296 HydrophobicContact CB-CD2 3.9Å; S262-L296 WeakPolarHBondContact OG-CD2 3.39Å; E292-L296 PolarHBondContact O-N 3.3Å; L293-L296 HydrophobicContact CD1-CD2 4.1Å; L293-L296 PolarHBondContact O-N 3.44Å; L296-L298 VanDerWaalsContact C-N 3.34Å; L296-L298 PolarHBondContact O-N 2.94Å; L296-D299 PolarHBondContact O-N 3.04Å; L296-K300 HydrophobicContact CD1-CG 4.03Å; L296-K300 HydrophobicContact CG-CG 4.5Å; L296-K300 WeakPolarHBondContact O-CB 3.35Å; L296-K300 WeakPolarHBondContact O-CG 3.32Å; L296-K300 PolarHBondContact O-N 3.03Å
297	L	98.6	Very high	97.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-42.9	-179.7	-73.2	170.3	0	0	0	111.3	L248 I265 P281 L282 A285 L293 V294 Q295 D299 K300 G301 A302	L248-L297 HydrophobicContact CD1-CD2 4.38Å; L248-L297 HydrophobicContact CD2-CD2 4.3Å; I265-L297 HydrophobicContact CD1-CD2 3.95Å; P281-L297 HydrophobicContact CB-CD1 4.25Å; P281-L297 HydrophobicContact CB-CD2 4.33Å; L282-L297 HydrophobicContact CB-CD1 4.4Å; L282-L297 HydrophobicContact CD1-CB 4.22Å; A285-L297 HydrophobicContact CB-CD1 3.98Å; L293-L297 HydrophobicContact CD1-CD1 4.18Å; L293-L297 HydrophobicContact CD1-CG 4Å; L293-L297 HydrophobicContact CG-CD1 3.9Å; L293-L297 HydrophobicContact CG-CG 4.22Å; L293-L297 WeakPolarHBondContact O-CB 3.28Å; L293-L297 VanDerWaalsContact O-CG 3.26Å; L293-L297 WeakPolarHBondContact O-CG 3.43Å; L293-L297 PolarHBondContact O-N 2.81Å; V294-L297 PolarHBondContact O-N 2.79Å; Q295-L297 PolarHBondContact O-N 3.49Å; L297-D299 VanDerWaalsContact C-N 3.34Å; L297-K300 CarbonylContact O-C 3.54Å; L297-K300 PolarHBondContact O-N 2.88Å; L297-G301 PolarHBondContact O-N 2.87Å; L297-A302 HydrophobicContact CB-CB 3.99Å; L297-A302 WeakPolarHBondContact O-CB 2.91Å; L297-A302 PolarHBondContact O-N 2.89Å
298	L	97.8	Very high	97.1	Very high	19 Å²	19	51.5 Å²	51.5	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-38.7	175.4	-68.6	166.6	0	0	0	111.9	L282 V294 Q295 L296 K300 G301 A304 L329 L330 R333	L282-L298 HydrophobicContact CD1-CD2 4.12Å; L282-L298 HydrophobicContact CD1-CG 3.95Å; L282-L298 HydrophobicContact CD2-CD2 3.71Å; L282-L298 HydrophobicContact CD2-CG 4.45Å; V294-L298 HydrophobicContact CG1-CD1 3.92Å; V294-L298 VanDerWaalsContact O-CG 3.25Å; V294-L298 WeakPolarHBondContact O-CG 3.49Å; V294-L298 PolarHBondContact O-N 2.93Å; Q295-L298 PolarHBondContact O-N 3.17Å; L296-L298 VanDerWaalsContact C-N 3.34Å; L296-L298 PolarHBondContact O-N 2.94Å; L298-K300 VanDerWaalsContact C-N 3.29Å; L298-G301 PolarHBondContact O-N 2.83Å; L298-A304 HydrophobicContact CD2-CB 4.12Å; L298-L329 HydrophobicContact CD1-CD2 4.2Å; L298-L330 HydrophobicContact CD1-CD2 3.9Å; L298-L330 HydrophobicContact CD2-CD2 4.28Å; L298-R333 VanDerWaalsContact CB-CZ 3.48Å; L298-R333 PolarHBondContact O-NH1 2.84Å
299	D	97.5	Very high	97.2	Very high	94 Å²	94	54.9 Å²	54.9	50%	0.503	30%	0.295	S	S	.	.	H	α-helix	trans	-66.6	-31.6	175	-71.7	-25	0	0	0	112.6	Q295 L296 L297 G301 R333	Q295-D299 PolarHBondContact NE2-OD1 3.06Å; Q295-D299 PolarHBondContact NE2-OD2 3.16Å; Q295-D299 VanDerWaalsContact O-CG 3.29Å; Q295-D299 PolarHBondContact O-N 2.95Å; L296-D299 PolarHBondContact O-N 3.04Å; L297-D299 VanDerWaalsContact C-N 3.34Å; D299-G301 VanDerWaalsContact C-N 3.28Å; D299-G301 PolarHBondContact O-N 2.81Å; D299-R333 VanDerWaalsContact CG-NH2 3.35Å; D299-R333 IonicContact OD1-CZ 3.3Å; D299-R333 IonicContact OD1-NH1 3.06Å; D299-R333 PolarHBondContact OD1-NH1 3.09Å; D299-R333 IonicContact OD1-NH2 2.73Å; D299-R333 PolarHBondContact OD1-NH2 3.48Å; D299-R333 IonicContact OD2-NH2 2.79Å
300	K	98.1	Very high	97.1	Very high	83 Å²	83	58.8 Å²	58.8	36%	0.361	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	13.2	176.3	-65.6	-72.7	-174.1	164.2	0	113.6	I265 D266 V271 L296 L297 L298	I265-K300 HydrophobicContact CD1-CB 4.27Å; I265-K300 HydrophobicContact CD1-CG 4.21Å; I265-K300 HydrophobicContact CG2-CB 4Å; I265-K300 HydrophobicContact CG2-CD 3.88Å; I265-K300 HydrophobicContact CG2-CG 3.98Å; D266-K300 IonicContact OD1-NZ 2.67Å; D266-K300 PolarHBondContact OD1-NZ 2.66Å; V271-K300 HydrophobicContact CG1-CB 4.26Å; L296-K300 HydrophobicContact CD1-CG 4.03Å; L296-K300 HydrophobicContact CG-CG 4.5Å; L296-K300 WeakPolarHBondContact O-CB 3.35Å; L296-K300 WeakPolarHBondContact O-CG 3.32Å; L296-K300 PolarHBondContact O-N 3.03Å; L297-K300 CarbonylContact O-C 3.54Å; L297-K300 PolarHBondContact O-N 2.88Å; L298-K300 VanDerWaalsContact C-N 3.29Å
301	G	96.8	Very high	97.1	Very high	48 Å²	48	58.6 Å²	58.6	50%	0.495	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	22.9	170.8	0	0	0	0	0	115.4	N272 L297 L298 D299 D303	N272-G301 PolarHBondContact ND2-O 2.71Å; L297-G301 PolarHBondContact O-N 2.87Å; L298-G301 PolarHBondContact O-N 2.83Å; D299-G301 VanDerWaalsContact C-N 3.28Å; D299-G301 PolarHBondContact O-N 2.81Å; G301-D303 PolarHBondContact O-N 2.87Å
302	A	97.9	Very high	97.1	Very high	10 Å²	10	59.1 Å²	59.1	8%	0.083	32%	0.32	C	S	.	.			trans	-62.8	129.8	169.8	0	0	0	0	0	111	N272 L282 L297 A304	N272-A302 WeakPolarHBondContact OD1-CA 3.28Å; L282-A302 HydrophobicContact CB-CB 3.99Å; L282-A302 HydrophobicContact CD2-CB 3.96Å; L282-A302 HydrophobicContact CG-CB 4.41Å; L297-A302 HydrophobicContact CB-CB 3.99Å; L297-A302 WeakPolarHBondContact O-CB 2.91Å; L297-A302 PolarHBondContact O-N 2.89Å; A302-A304 PolarHBondContact O-N 2.97Å
303	D	96.4	Very high	97	Very high	70 Å²	70	53.3 Å²	53.3	37%	0.374	30%	0.297	S	S	.	.			trans	-83.2	105.1	-177.7	-178.3	3.9	0	0	0	110.7	N272 G301 S305 V306	N272-D303 PolarHBondContact OD1-N 2.94Å; G301-D303 PolarHBondContact O-N 2.87Å; D303-S305 VanDerWaalsContact CG-OG 3.25Å; D303-S305 PolarHBondContact O-N 2.93Å; D303-S305 WeakPolarHBondContact OD1-CA 3.33Å; D303-S305 WeakPolarHBondContact OD1-CB 3.04Å; D303-S305 PolarHBondContact OD1-N 3.39Å; D303-S305 PolarHBondContact OD1-OG 2.79Å; D303-S305 PolarHBondContact OD2-OG 3.04Å; D303-S305 VanDerWaalsContact OD2-OG 3.1Å; D303-V306 HydrophobicContact CB-CG2 3.88Å
304	A	96	Very high	96.9	Very high	44 Å²	44	53.4 Å²	53.4	36%	0.364	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-5	177.3	0	0	0	0	0	114	L282 L298 A302 V314	L282-A304 HydrophobicContact CD2-CB 4.15Å; L298-A304 HydrophobicContact CD2-CB 4.12Å; A302-A304 PolarHBondContact O-N 2.97Å; A304-V314 HydrophobicContact CB-CG1 3.8Å; A304-V314 WeakPolarHBondContact O-CG1 3.33Å
305	S	94.7	Very high	96.8	Very high	91 Å²	91	54.9 Å²	54.9	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-16.5	177.8	80.7	0	0	0	0	113.5	D303	D303-S305 VanDerWaalsContact CG-OG 3.25Å; D303-S305 PolarHBondContact O-N 2.93Å; D303-S305 WeakPolarHBondContact OD1-CA 3.33Å; D303-S305 WeakPolarHBondContact OD1-CB 3.04Å; D303-S305 PolarHBondContact OD1-N 3.39Å; D303-S305 PolarHBondContact OD1-OG 2.79Å; D303-S305 PolarHBondContact OD2-OG 3.04Å; D303-S305 VanDerWaalsContact OD2-OG 3.1Å
306	V	95.9	Very high	96.8	Very high	19 Å²	19	55.4 Å²	55.4	12%	0.115	31%	0.307	C	S	.	.			trans	-57.9	142.3	179.5	178.6	0	0	0	0	110.6	T280 M283 D303	T280-V306 HydrophobicContact CG2-CB 4.25Å; T280-V306 HydrophobicContact CG2-CG1 3.79Å; M283-V306 VanDerWaalsContact CE-C 3.42Å; M283-V306 HydrophobicContact CE-CB 4.02Å; M283-V306 HydrophobicContact CE-CG1 3.87Å; M283-V306 WeakPolarHBondContact CE-O 3.14Å; D303-V306 HydrophobicContact CB-CG2 3.88Å
307	K	96.8	Very high	96.6	Very high	133 Å²	133	55 Å²	55	58%	0.578	31%	0.305	S	S	*	.	B	Isolated β-bridge	trans	-114.7	142.7	170.3	-67.1	177.5	173.5	-170.8	0	109.5	G311 K312	K307-G311 WeakPolarHBondContact CD-O 3.26Å; K307-K312 WeakPolarHBondContact CA-O 3.1Å
308	N	96.6	Very high	96.6	Very high	11 Å²	11	55 Å²	55	6%	0.059	31%	0.305	C	S	.	.			trans	-76.5	179.3	172.6	70.4	13.5	0	0	0	111.2	N277 K279 M283 F310 G311 K312	N277-N308 WeakPolarHBondContact O-CB 3.2Å; K279-N308 HydrophobicContact CG-CB 4.2Å; M283-N308 HydrophobicContact SD-CB 4.04Å; N308-F310 PolarHBondContact O-N 2.74Å; N308-F310 WeakPolarHBondContact OD1-CA 3.45Å; N308-F310 WeakPolarHBondContact OD1-CB 3.42Å; N308-F310 PolarHBondContact OD1-N 3.43Å; N308-G311 PolarHBondContact O-N 2.84Å; N308-G311 PolarHBondContact OD1-N 2.94Å; N308-K312 PolarHBondContact N-O 2.97Å; N308-K312 WeakPolarHBondContact OD1-CB 3.33Å; N308-K312 PolarHBondContact OD1-N 2.82Å; N308-K312 PolarHBondContact OD1-O 2.9Å
309	E	96.6	Very high	96.5	Very high	136 Å²	136	60.6 Å²	60.6	64%	0.636	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.4	-178.6	-64.3	-56.7	132.9	0	0	113.6	N277 G311	N277-E309 VanDerWaalsContact C-CG 3.44Å; N277-E309 WeakPolarHBondContact O-CG 3.38Å; N277-E309 PolarHBondContact O-N 2.8Å; E309-G311 VanDerWaalsContact C-N 3.35Å
310	F	95.4	Very high	96.4	Very high	137 Å²	137	61 Å²	61	60%	0.601	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	8.3	175.7	-50.5	-75.4	0	0	0	112.9	N277 N308 K312	N277-F310 HydrophobicContact CB-CE2 4.29Å; N308-F310 PolarHBondContact O-N 2.74Å; N308-F310 WeakPolarHBondContact OD1-CA 3.45Å; N308-F310 WeakPolarHBondContact OD1-CB 3.42Å; N308-F310 PolarHBondContact OD1-N 3.43Å; F310-K312 HydrophobicContact CB-CG 4.14Å; F310-K312 PolarHBondContact O-N 2.94Å
311	G	96.4	Very high	96.2	Very high	38 Å²	38	61.5 Å²	61.5	39%	0.392	33%	0.333	S	S	.	.	S	Bend	trans	72.3	9	-177.4	0	0	0	0	0	114.5	K307 N308 E309	K307-G311 WeakPolarHBondContact CD-O 3.26Å; N308-G311 PolarHBondContact O-N 2.84Å; N308-G311 PolarHBondContact OD1-N 2.94Å; E309-G311 VanDerWaalsContact C-N 3.35Å
312	K	96.4	Very high	96.1	Very high	87 Å²	87	64.3 Å²	64.3	38%	0.378	34%	0.337	S	S	.	.			trans	-89.6	126.5	-177.5	-54.6	-62.5	-176.6	-176.2	0	110.3	K307 N308 F310 E316 M317	K307-K312 WeakPolarHBondContact CA-O 3.1Å; N308-K312 PolarHBondContact N-O 2.97Å; N308-K312 WeakPolarHBondContact OD1-CB 3.33Å; N308-K312 PolarHBondContact OD1-N 2.82Å; N308-K312 PolarHBondContact OD1-O 2.9Å; F310-K312 HydrophobicContact CB-CG 4.14Å; F310-K312 PolarHBondContact O-N 2.94Å; K312-E316 HydrophobicContact CD-CG 4.15Å; K312-E316 VanDerWaalsContact CD-OE1 3.23Å; K312-E316 WeakPolarHBondContact CD-OE1 3.48Å; K312-E316 WeakPolarHBondContact CD-OE2 3.41Å; K312-E316 WeakPolarHBondContact CE-OE1 3.48Å; K312-E316 IonicContact NZ-OE1 3.13Å; K312-E316 PolarHBondContact NZ-OE1 3.25Å; K312-E316 IonicContact NZ-OE2 2.62Å; K312-M317 HydrophobicContact CB-CG 4.24Å
313	G	96.4	Very high	96	Very high	13 Å²	13	67.1 Å²	67.1	13%	0.134	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-91.6	169.2	172.9	0	0	0	0	0	112.4	L315 E316 M317	G313-L315 VanDerWaalsContact C-N 3.34Å; G313-L315 PolarHBondContact O-N 2.88Å; G313-E316 PolarHBondContact O-N 2.83Å; G313-E316 VanDerWaalsContact O-N 3.15Å; G313-M317 WeakPolarHBondContact O-CG 3.46Å; G313-M317 PolarHBondContact O-N 3.15Å
314	V	96.9	Very high	95.9	Very high	3 Å²	3	69 Å²	69	2%	0.018	35%	0.352	C	S	.	.	H	α-helix	trans	-58.1	-40.3	-175.5	67.9	0	0	0	0	113.6	L282 M283 V286 A304 E316 M317 A318 L330	L282-V314 HydrophobicContact CD2-CG1 4.39Å; L282-V314 HydrophobicContact CD2-CG2 4.31Å; L282-V314 HydrophobicContact CG-CG2 4.01Å; M283-V314 HydrophobicContact CG-CB 4.33Å; V286-V314 HydrophobicContact CB-CG2 3.96Å; V286-V314 HydrophobicContact CG1-CG2 4.23Å; V286-V314 HydrophobicContact CG2-CG2 3.36Å; A304-V314 HydrophobicContact CB-CG1 3.8Å; A304-V314 WeakPolarHBondContact O-CG1 3.33Å; V314-E316 PolarHBondContact O-N 2.84Å; V314-M317 PolarHBondContact O-N 2.62Å; V314-A318 PolarHBondContact O-N 3.29Å; V314-L330 HydrophobicContact CG1-CD1 4.12Å; V314-L330 HydrophobicContact CG1-CD2 4.2Å; V314-L330 HydrophobicContact CG2-CD1 4.09Å
315	L	96.2	Very high	95.8	Very high	30 Å²	30	69.7 Å²	69.7	16%	0.157	35%	0.354	C	S	.	.	H	α-helix	trans	-68.1	-36.2	179.6	-179.1	63.2	0	0	0	112.4	G313 A318 R319 I327 L330 E331	G313-L315 VanDerWaalsContact C-N 3.34Å; G313-L315 PolarHBondContact O-N 2.88Å; L315-A318 PolarHBondContact O-N 3.01Å; L315-R319 WeakPolarHBondContact O-CG 3.12Å; L315-R319 PolarHBondContact O-N 3.49Å; L315-R319 VanDerWaalsContact O-N 3.14Å; L315-I327 HydrophobicContact CD1-CG2 4.28Å; L315-L330 HydrophobicContact CB-CD1 4.39Å; L315-L330 HydrophobicContact CD1-CB 4.01Å; L315-L330 HydrophobicContact CD1-CD1 4.2Å; L315-E331 HydrophobicContact CD1-CG 4.29Å
316	E	95.9	Very high	95.8	Very high	75 Å²	75	65.4 Å²	65.4	35%	0.35	32%	0.323	S	S	.	.	H	α-helix	trans	-68.9	-41.9	176.3	-171.2	177	-176.4	0	0	110.6	K312 G313 V314 A318 R319 V320	K312-E316 HydrophobicContact CD-CG 4.15Å; K312-E316 VanDerWaalsContact CD-OE1 3.23Å; K312-E316 WeakPolarHBondContact CD-OE1 3.48Å; K312-E316 WeakPolarHBondContact CD-OE2 3.41Å; K312-E316 WeakPolarHBondContact CE-OE1 3.48Å; K312-E316 IonicContact NZ-OE1 3.13Å; K312-E316 PolarHBondContact NZ-OE1 3.25Å; K312-E316 IonicContact NZ-OE2 2.62Å; G313-E316 PolarHBondContact O-N 2.83Å; G313-E316 VanDerWaalsContact O-N 3.15Å; V314-E316 PolarHBondContact O-N 2.84Å; E316-A318 PolarHBondContact O-N 2.92Å; E316-R319 PolarHBondContact O-N 2.88Å; E316-V320 WeakPolarHBondContact O-CG2 3.24Å; E316-V320 PolarHBondContact O-N 3.43Å
317	M	96.2	Very high	95.8	Very high	14 Å²	14	65.5 Å²	65.5	7%	0.069	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-46.8	172.5	-66.3	-175.2	69.4	0	0	111.3	M283 L287 K312 G313 V314 R319 V320 F321	M283-M317 HydrophobicContact CB-SD 4.01Å; M283-M317 HydrophobicContact CG-SD 4.16Å; M283-M317 HydrophobicContact SD-SD 4.29Å; L287-M317 HydrophobicContact CB-CE 4.45Å; L287-M317 HydrophobicContact CD1-CE 4.39Å; K312-M317 HydrophobicContact CB-CG 4.24Å; G313-M317 WeakPolarHBondContact O-CG 3.46Å; G313-M317 PolarHBondContact O-N 3.15Å; V314-M317 PolarHBondContact O-N 2.62Å; M317-R319 PolarHBondContact O-N 3.47Å; M317-V320 PolarHBondContact O-N 3.15Å; M317-F321 VanDerWaalsContact O-CD2 3.29Å; M317-F321 WeakPolarHBondContact O-CD2 3.43Å; M317-F321 PolarHBondContact O-N 3.23Å; M317-F321 VanDerWaalsContact O-N 3.07Å
318	A	97.1	Very high	95.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-55.6	-39.4	177.1	0	0	0	0	0	112.3	V286 V314 L315 E316 D322 R323 V326 I327 L330	V286-A318 HydrophobicContact CG1-CB 3.68Å; V314-A318 PolarHBondContact O-N 3.29Å; L315-A318 PolarHBondContact O-N 3.01Å; E316-A318 PolarHBondContact O-N 2.92Å; A318-D322 PolarHBondContact O-N 3.43Å; A318-R323 HydrophobicContact CB-CB 4.29Å; A318-R323 PolarHBondContact O-N 3.01Å; A318-V326 HydrophobicContact CB-CG1 4.08Å; A318-I327 HydrophobicContact CB-CG1 3.69Å; A318-L330 HydrophobicContact CB-CD1 4.27Å
319	R	96.3	Very high	95.6	Very high	137 Å²	137	63.7 Å²	63.7	52%	0.517	33%	0.325	S	S	.	.	H	α-helix	trans	-69.8	-45.1	176.6	-71.1	173.8	-176.6	167	0.3	113.2	L315 E316 M317 F321 D322 I327 E331	L315-R319 WeakPolarHBondContact O-CG 3.12Å; L315-R319 PolarHBondContact O-N 3.49Å; L315-R319 VanDerWaalsContact O-N 3.14Å; E316-R319 PolarHBondContact O-N 2.88Å; M317-R319 PolarHBondContact O-N 3.47Å; R319-F321 PolarHBondContact O-N 2.82Å; R319-D322 PolarHBondContact O-N 2.99Å; R319-I327 HydrophobicContact CB-CD1 4.42Å; R319-I327 HydrophobicContact CG-CD1 3.86Å; R319-I327 HydrophobicContact CG-CG1 4.12Å; R319-E331 IonicContact CZ-OE1 3.52Å; R319-E331 IonicContact NH2-OE1 2.63Å; R319-E331 PolarHBondContact NH2-OE1 2.84Å
320	V	95.6	Very high	95.5	Very high	103 Å²	103	57.9 Å²	57.9	62%	0.624	30%	0.298	S	S	*	.	H	α-helix	trans	-61.3	-35.8	-179.8	169.6	0	0	0	0	111.6	E316 M317	E316-V320 WeakPolarHBondContact O-CG2 3.24Å; E316-V320 PolarHBondContact O-N 3.43Å; M317-V320 PolarHBondContact O-N 3.15Å
321	F	93.5	Very high	95.4	Very high	92 Å²	92	53.9 Å²	53.9	40%	0.404	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	12.3	-179.4	-67.3	-81.1	0	0	0	113.9	L287 M317 R319 R323	L287-F321 HydrophobicContact CD1-CD1 3.89Å; L287-F321 HydrophobicContact CD1-CD2 3.55Å; L287-F321 HydrophobicContact CD1-CE1 3.62Å; L287-F321 HydrophobicContact CD1-CE2 3.27Å; L287-F321 HydrophobicContact CD1-CG 3.87Å; L287-F321 HydrophobicContact CD1-CZ 3.31Å; M317-F321 VanDerWaalsContact O-CD2 3.29Å; M317-F321 WeakPolarHBondContact O-CD2 3.43Å; M317-F321 PolarHBondContact O-N 3.23Å; M317-F321 VanDerWaalsContact O-N 3.07Å; R319-F321 PolarHBondContact O-N 2.82Å; F321-R323 HydrophobicContact CB-CG 4.17Å; F321-R323 VanDerWaalsContact O-CD 3.28Å; F321-R323 WeakPolarHBondContact O-CD 3.34Å; F321-R323 PolarHBondContact O-N 3.47Å; F321-R323 PolarHBondContact O-NE 2.68Å; F321-R323 PolarHBondContact O-NH1 2.76Å
322	D	94.7	Very high	95.1	Very high	108 Å²	108	56.8 Å²	56.8	58%	0.578	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	47.3	176.6	-163.3	30.1	0	0	0	114.8	A318 R319 Q324	A318-D322 PolarHBondContact O-N 3.43Å; R319-D322 PolarHBondContact O-N 2.99Å; D322-Q324 PolarHBondContact O-N 3.35Å; D322-Q324 PolarHBondContact OD1-NE2 2.8Å
323	R	95.2	Very high	94.7	Very high	69 Å²	69	54.9 Å²	54.9	26%	0.26	28%	0.276	S	S	.	.			trans	-90.8	68.4	-179.6	-50.8	-50.1	-169.3	-163.1	2.2	111.3	L287 N289 A318 F321 S325 V326 I327	L287-R323 PolarHBondContact O-NE 3.49Å; L287-R323 PolarHBondContact O-NH2 3.26Å; N289-R323 WeakPolarHBondContact OD1-CD 3.29Å; A318-R323 HydrophobicContact CB-CB 4.29Å; A318-R323 PolarHBondContact O-N 3.01Å; F321-R323 HydrophobicContact CB-CG 4.17Å; F321-R323 VanDerWaalsContact O-CD 3.28Å; F321-R323 WeakPolarHBondContact O-CD 3.34Å; F321-R323 PolarHBondContact O-N 3.47Å; F321-R323 PolarHBondContact O-NE 2.68Å; F321-R323 PolarHBondContact O-NH1 2.76Å; R323-S325 PolarHBondContact O-N 2.9Å; R323-V326 HydrophobicContact CB-CB 3.94Å; R323-V326 HydrophobicContact CB-CG2 4.22Å; R323-V326 WeakPolarHBondContact O-CB 3.48Å; R323-V326 PolarHBondContact O-N 3.41Å; R323-I327 VanDerWaalsContact O-CG1 3.31Å; R323-I327 WeakPolarHBondContact O-CG1 3.44Å; R323-I327 PolarHBondContact O-N 2.86Å
324	Q	94.3	Very high	94.3	Very high	110 Å²	110	59.2 Å²	59.2	51%	0.514	29%	0.29	S	S	.	.	H	α-helix	trans	-54	-45.6	-169.4	-68	-61.6	-25.7	0	0	115.1	D322 V326 I327 S328	D322-Q324 PolarHBondContact O-N 3.35Å; D322-Q324 PolarHBondContact OD1-NE2 2.8Å; Q324-V326 VanDerWaalsContact C-N 3.34Å; Q324-V326 PolarHBondContact O-N 3.45Å; Q324-I327 PolarHBondContact O-N 2.85Å; Q324-S328 PolarHBondContact O-N 3.13Å; Q324-S328 PolarHBondContact O-OG 3.33Å
325	S	93.9	Very high	93.8	Very high	58 Å²	58	66.1 Å²	66.1	41%	0.406	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-43.7	177.1	-42.2	0	0	0	0	111.5	E291 R323 S328 L329	E291-S325 WeakPolarHBondContact OE1-CB 3.33Å; E291-S325 PolarHBondContact OE1-OG 3.06Å; E291-S325 WeakPolarHBondContact OE2-CB 3.35Å; E291-S325 PolarHBondContact OE2-OG 2.9Å; R323-S325 PolarHBondContact O-N 2.9Å; S325-S328 WeakPolarHBondContact O-CB 3.31Å; S325-S328 PolarHBondContact O-N 3.23Å; S325-L329 WeakPolarHBondContact O-CB 3.44Å; S325-L329 PolarHBondContact O-N 2.87Å
326	V	94.9	Very high	92.9	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-67.1	-41.1	178	174.7	0	0	0	0	111.7	V286 E291 V294 A318 R323 Q324 S328 L329 L330	V286-V326 HydrophobicContact CB-CG1 4.41Å; V286-V326 HydrophobicContact CG1-CG1 4.07Å; V286-V326 HydrophobicContact CG2-CG1 3.64Å; E291-V326 HydrophobicContact CG-CG2 3.99Å; V294-V326 HydrophobicContact CG1-CG1 4.2Å; A318-V326 HydrophobicContact CB-CG1 4.08Å; R323-V326 HydrophobicContact CB-CB 3.94Å; R323-V326 HydrophobicContact CB-CG2 4.22Å; R323-V326 WeakPolarHBondContact O-CB 3.48Å; R323-V326 PolarHBondContact O-N 3.41Å; Q324-V326 VanDerWaalsContact C-N 3.34Å; Q324-V326 PolarHBondContact O-N 3.45Å; V326-S328 VanDerWaalsContact C-N 3.28Å; V326-S328 PolarHBondContact O-N 2.94Å; V326-L329 PolarHBondContact O-N 3.12Å; V326-L330 HydrophobicContact CG1-CD1 3.74Å; V326-L330 HydrophobicContact CG1-CG 4.14Å; V326-L330 WeakPolarHBondContact O-CB 3.44Å; V326-L330 VanDerWaalsContact O-CG 3.26Å; V326-L330 WeakPolarHBondContact O-CG 3.42Å; V326-L330 PolarHBondContact O-N 3.13Å
327	I	96.4	Very high	91.7	Very high	21 Å²	21	75.7 Å²	75.7	11%	0.108	36%	0.362	C	S	.	.	H	α-helix	trans	-57.5	-47.8	175.1	-66.8	164.5	0	0	0	109.4	L315 A318 R319 R323 Q324 L329 L330 E331	L315-I327 HydrophobicContact CD1-CG2 4.28Å; A318-I327 HydrophobicContact CB-CG1 3.69Å; R319-I327 HydrophobicContact CB-CD1 4.42Å; R319-I327 HydrophobicContact CG-CD1 3.86Å; R319-I327 HydrophobicContact CG-CG1 4.12Å; R323-I327 VanDerWaalsContact O-CG1 3.31Å; R323-I327 WeakPolarHBondContact O-CG1 3.44Å; R323-I327 PolarHBondContact O-N 2.86Å; Q324-I327 PolarHBondContact O-N 2.85Å; I327-L329 PolarHBondContact O-N 2.8Å; I327-L330 PolarHBondContact O-N 3Å; I327-E331 HydrophobicContact CG2-CG 4.43Å; I327-E331 WeakPolarHBondContact O-CB 3.07Å; I327-E331 WeakPolarHBondContact O-CG 3.31Å; I327-E331 PolarHBondContact O-N 3.12Å
328	S	95.1	Very high	90.4	Very high	73 Å²	73	83.2 Å²	83.2	51%	0.51	39%	0.389	S	S	.	.	H	α-helix	trans	-60.9	-46.2	179.9	-57.5	0	0	0	0	111.1	Q324 S325 V326 E331 E332	Q324-S328 PolarHBondContact O-N 3.13Å; Q324-S328 PolarHBondContact O-OG 3.33Å; S325-S328 WeakPolarHBondContact O-CB 3.31Å; S325-S328 PolarHBondContact O-N 3.23Å; V326-S328 VanDerWaalsContact C-N 3.28Å; V326-S328 PolarHBondContact O-N 2.94Å; S328-E331 PolarHBondContact O-N 3.43Å; S328-E332 WeakPolarHBondContact O-CB 3.36Å; S328-E332 PolarHBondContact O-N 2.85Å
329	L	94.5	Very high	88.5	Confident	34 Å²	34	88.8 Å²	88.8	18%	0.178	43%	0.426	C	S	.	.	H	α-helix	trans	-59.3	-48.5	176.6	177.6	65.3	0	0	0	112.7	V294 Q295 L298 S325 V326 I327 E332 R333	V294-L329 HydrophobicContact CG1-CD2 4.05Å; Q295-L329 HydrophobicContact CB-CD2 4.23Å; L298-L329 HydrophobicContact CD1-CD2 4.2Å; S325-L329 WeakPolarHBondContact O-CB 3.44Å; S325-L329 PolarHBondContact O-N 2.87Å; V326-L329 PolarHBondContact O-N 3.12Å; I327-L329 PolarHBondContact O-N 2.8Å; L329-E332 PolarHBondContact O-N 2.78Å; L329-R333 PolarHBondContact O-N 2.9Å; L329-R333 VanDerWaalsContact O-N 3.09Å
330	L	93.4	Very high	86.5	Confident	13 Å²	13	92.2 Å²	92.2	7%	0.068	44%	0.444	C	S	.	.	H	α-helix	trans	-65.7	-41.7	-178.8	-71.1	172.1	0	0	0	111.9	L298 V314 L315 A318 V326 I327 R333 K334	L298-L330 HydrophobicContact CD1-CD2 3.9Å; L298-L330 HydrophobicContact CD2-CD2 4.28Å; V314-L330 HydrophobicContact CG1-CD1 4.12Å; V314-L330 HydrophobicContact CG1-CD2 4.2Å; V314-L330 HydrophobicContact CG2-CD1 4.09Å; L315-L330 HydrophobicContact CB-CD1 4.39Å; L315-L330 HydrophobicContact CD1-CB 4.01Å; L315-L330 HydrophobicContact CD1-CD1 4.2Å; A318-L330 HydrophobicContact CB-CD1 4.27Å; V326-L330 HydrophobicContact CG1-CD1 3.74Å; V326-L330 HydrophobicContact CG1-CG 4.14Å; V326-L330 WeakPolarHBondContact O-CB 3.44Å; V326-L330 VanDerWaalsContact O-CG 3.26Å; V326-L330 WeakPolarHBondContact O-CG 3.42Å; V326-L330 PolarHBondContact O-N 3.13Å; I327-L330 PolarHBondContact O-N 3Å; L330-R333 PolarHBondContact O-N 2.8Å; L330-K334 WeakPolarHBondContact O-CB 3.21Å; L330-K334 PolarHBondContact O-N 3.11Å
331	E	93.5	Very high	84.4	Confident	53 Å²	53	96.9 Å²	96.9	25%	0.248	46%	0.456	C	S	.	.	H	α-helix	trans	-65.2	-40.1	175.9	-74.6	-72.8	-178.2	0	0	111.9	L315 R319 I327 S328 K334 K335	L315-E331 HydrophobicContact CD1-CG 4.29Å; R319-E331 IonicContact CZ-OE1 3.52Å; R319-E331 IonicContact NH2-OE1 2.63Å; R319-E331 PolarHBondContact NH2-OE1 2.84Å; I327-E331 HydrophobicContact CG2-CG 4.43Å; I327-E331 WeakPolarHBondContact O-CB 3.07Å; I327-E331 WeakPolarHBondContact O-CG 3.31Å; I327-E331 PolarHBondContact O-N 3.12Å; S328-E331 PolarHBondContact O-N 3.43Å; E331-K334 PolarHBondContact O-N 3.09Å; E331-K335 WeakPolarHBondContact O-CG 3.45Å; E331-K335 PolarHBondContact O-N 2.93Å
332	E	91.6	Very high	82.2	Confident	99 Å²	99	97.2 Å²	97.2	46%	0.463	47%	0.47	S	S	.	.	H	α-helix	trans	-62.1	-46.6	176.8	-166	-169.8	155.4	0	0	111.5	S328 L329 K334 K335 K336	S328-E332 WeakPolarHBondContact O-CB 3.36Å; S328-E332 PolarHBondContact O-N 2.85Å; L329-E332 PolarHBondContact O-N 2.78Å; E332-K334 PolarHBondContact O-N 3.16Å; E332-K335 PolarHBondContact O-N 2.92Å; E332-K336 PolarHBondContact O-N 2.94Å; E332-K336 VanDerWaalsContact O-N 3.11Å; E332-K336 WeakPolarHBondContact OE1-CE 3.48Å; E332-K336 IonicContact OE1-NZ 3.63Å; E332-K336 PolarHBondContact OE1-NZ 3.06Å
333	R	87.6	Confident	80	Confident	48 Å²	48	97.8 Å²	97.8	18%	0.181	48%	0.481	C	S	.	.	H	α-helix	trans	-62.8	-41.6	175.9	-73.3	-151.6	-170.7	-146.7	-0.8	112.8	L298 D299 L329 L330 K335 K336 Q337	L298-R333 VanDerWaalsContact CB-CZ 3.48Å; L298-R333 PolarHBondContact O-NH1 2.84Å; D299-R333 VanDerWaalsContact CG-NH2 3.35Å; D299-R333 IonicContact OD1-CZ 3.3Å; D299-R333 IonicContact OD1-NH1 3.06Å; D299-R333 PolarHBondContact OD1-NH1 3.09Å; D299-R333 IonicContact OD1-NH2 2.73Å; D299-R333 PolarHBondContact OD1-NH2 3.48Å; D299-R333 IonicContact OD2-NH2 2.79Å; L329-R333 PolarHBondContact O-N 2.9Å; L329-R333 VanDerWaalsContact O-N 3.09Å; L330-R333 PolarHBondContact O-N 2.8Å; R333-K335 VanDerWaalsContact C-N 3.27Å; R333-K335 PolarHBondContact O-N 2.92Å; R333-K336 PolarHBondContact O-N 3.22Å; R333-K336 VanDerWaalsContact O-N 3.13Å; R333-Q337 WeakPolarHBondContact O-CG 3.34Å; R333-Q337 PolarHBondContact O-N 3.16Å
334	K	86.8	Confident	77.6	Confident	103 Å²	103	100.9 Å²	100.9	45%	0.448	51%	0.508	S	S	.	.	H	α-helix	trans	-60.6	-37.6	177.3	-171.3	178.5	-177.2	179	0	111.9	L330 E331 E332 R338	L330-K334 WeakPolarHBondContact O-CB 3.21Å; L330-K334 PolarHBondContact O-N 3.11Å; E331-K334 PolarHBondContact O-N 3.09Å; E332-K334 PolarHBondContact O-N 3.16Å; K334-R338 PolarHBondContact O-N 3.09Å
335	K	87.1	Confident	75.6	Confident	149 Å²	149	104.6 Å²	104.6	65%	0.648	54%	0.544	S	S	*	.	H	α-helix	trans	-65.4	-42.9	173.7	-71.2	172.9	-174.1	175	0	111.8	E331 E332 R333 Q337 R338	E331-K335 WeakPolarHBondContact O-CG 3.45Å; E331-K335 PolarHBondContact O-N 2.93Å; E332-K335 PolarHBondContact O-N 2.92Å; R333-K335 VanDerWaalsContact C-N 3.27Å; R333-K335 PolarHBondContact O-N 2.92Å; K335-Q337 VanDerWaalsContact C-N 3.31Å; K335-Q337 PolarHBondContact O-N 2.78Å; K335-R338 PolarHBondContact O-N 3.39Å
336	K	78.6	Confident	74.7	Confident	150 Å²	150	107 Å²	107	65%	0.652	55%	0.551	S	S	*	*	H	α-helix	trans	-65	-30.7	178.3	-70.1	177.3	-175.3	170.4	0	113.3	E332 R333	E332-K336 PolarHBondContact O-N 2.94Å; E332-K336 VanDerWaalsContact O-N 3.11Å; E332-K336 WeakPolarHBondContact OE1-CE 3.48Å; E332-K336 IonicContact OE1-NZ 3.63Å; E332-K336 PolarHBondContact OE1-NZ 3.06Å; R333-K336 PolarHBondContact O-N 3.22Å; R333-K336 VanDerWaalsContact O-N 3.13Å
337	Q	70.6	Confident	73.6	Confident	155 Å²	155	112.6 Å²	112.6	72%	0.724	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-9	179.1	-69.9	177.3	6.4	0	0	114.4	R333 K335	R333-Q337 WeakPolarHBondContact O-CG 3.34Å; R333-Q337 PolarHBondContact O-N 3.16Å; K335-Q337 VanDerWaalsContact C-N 3.31Å; K335-Q337 PolarHBondContact O-N 2.78Å
338	R	69	Low	72.4	Confident	172 Å²	172	117.7 Å²	117.7	65%	0.649	61%	0.606	S	S	*	*	S	Bend	trans	-72.7	126.8	173.2	-75.7	-179.8	175.7	-175.1	-1.8	109.2	K334 K335 K340	K334-R338 PolarHBondContact O-N 3.09Å; K335-R338 PolarHBondContact O-N 3.39Å; R338-K340 PolarHBondContact O-N 3.44Å
339	P	55.3	Low	71	Confident	118 Å²	118	120.3 Å²	120.3	77%	0.766	61%	0.612	S	S	*	*			trans	-57.7	131.3	175.7	20.5	-28.9	0	0	0	109.4	K341	P339-K341 PolarHBondContact O-N 3.39Å
340	K	55.8	Low	69.6	Low	208 Å²	208	125.7 Å²	125.7	90%	0.904	64%	0.639	S	S	*	*			trans	-55.5	113.2	168.1	-75	-176.2	178.4	179.1	0	105.9	R338 S342	R338-K340 PolarHBondContact O-N 3.44Å; K340-S342 PolarHBondContact O-N 2.96Å
341	K	50.7	Low	68	Low	201 Å²	201	133.2 Å²	133.2	87%	0.874	68%	0.677	S	S	*	*			trans	-53.1	110.9	170.6	-74.6	-175.5	174.6	-174.8	0	106.4	P339 C343	P339-K341 PolarHBondContact O-N 3.39Å; K341-C343 PolarHBondContact O-N 3.23Å
342	S	48.2	Very low	66.1	Low	100 Å²	100	138.9 Å²	138.9	70%	0.699	71%	0.707	S	S	*	*			trans	-60.2	108.7	165.8	46.7	0	0	0	0	106.2	K340 V344	K340-S342 PolarHBondContact O-N 2.96Å; S342-V344 VanDerWaalsContact C-N 3.33Å; S342-V344 PolarHBondContact O-N 3.42Å
343	C	46.9	Very low	64.2	Low	120 Å²	120	142 Å²	142	81%	0.811	73%	0.726	S	S	*	*			trans	-58.6	104.7	161	-93.2	0	0	0	0	106.2	K341 C345	K341-C343 PolarHBondContact O-N 3.23Å; C343-C345 PolarHBondContact O-N 3.21Å
344	V	45.4	Very low	62.2	Low	134 Å²	134	149.8 Å²	149.8	81%	0.812	77%	0.772	S	S	*	*			trans	-80.2	106.2	159.7	-175	0	0	0	0	104.2	S342	S342-V344 VanDerWaalsContact C-N 3.33Å; S342-V344 PolarHBondContact O-N 3.42Å
345	C	52.7	Low	60	Low	188 Å²	188	154.1 Å²	154.1	100%	1.27	80%	0.801	S	S	*	*			trans	-70.3	0	169.9	-70.5	0	0	0	0	110.6	C343	C343-C345 PolarHBondContact O-N 3.21Å

Retrieved 345 of 345 residues in 391.1 ms (Link to these results)

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