A0A096NRF5_PAPAN Loading...

peptidylprolyl isomerase

AlphaFold DB (A0A2K5N8R8), UniProt , Accession A0A096NRF5, Species PAPAN (Papio anubis, Olive baboon), Gene FKBP6, Length 327 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	35.2	Very low	256 Å²	256	135.3 Å²	135.3	100%	1.261	85%	0.854	S	S	*	*				0	135	0	-68.3	-158.5	-146.4	0	0	108.1
2	G	35.9	Very low	35.6	Very low	83 Å²	83	139.3 Å²	139.3	86%	0.856	85%	0.854	S	S	*	*			trans	121.9	65.2	177.6	0	0	0	0	0	112.8
3	G	31.6	Very low	36.1	Very low	83 Å²	83	132.8 Å²	132.8	86%	0.856	83%	0.833	S	S	*	*			trans	-77.3	137.2	167.7	0	0	0	0	0	110.5
4	S	34.9	Very low	36.6	Very low	119 Å²	119	135.8 Å²	135.8	83%	0.832	84%	0.84	S	S	*	*			trans	-114.3	106.5	169.5	172.2	0	0	0	0	107.7
5	A	36.5	Very low	37.4	Very low	96 Å²	96	134.7 Å²	134.7	79%	0.793	83%	0.827	S	S	*	*			trans	-67.4	127.3	179.7	0	0	0	0	0	111	N7	A5-N7 PolarHBondContact O-N 3.26Å
6	L	37.2	Very low	38.4	Very low	169 Å²	169	129.8 Å²	129.8	89%	0.885	80%	0.803	S	S	*	*			trans	-73.3	116.4	163.7	-77.3	160.4	0	0	0	107.9	Q8	L6-Q8 PolarHBondContact O-N 2.77Å
7	N	32.4	Very low	39	Very low	163 Å²	163	130.1 Å²	130.1	87%	0.872	81%	0.808	S	S	*	*			trans	-76	90	179.1	-153	16.9	0	0	0	109.1	A5 G9	A5-N7 PolarHBondContact O-N 3.26Å; N7-G9 PolarHBondContact O-N 3.31Å
8	Q	33.9	Very low	40.7	Very low	172 Å²	172	127.5 Å²	127.5	80%	0.804	81%	0.811	S	S	*	*			trans	-76.2	93.4	161.8	-79.3	-178.1	-8.1	0	0	107.8	L6 V10	L6-Q8 PolarHBondContact O-N 2.77Å; Q8-V10 VanDerWaalsContact C-N 3.29Å; Q8-V10 PolarHBondContact O-N 3.34Å
9	G	29.8	Very low	42.5	Very low	66 Å²	66	125.2 Å²	125.2	68%	0.68	79%	0.789	S	S	*	*			trans	-73.6	85.6	167.5	0	0	0	0	0	109.7	N7 L11	N7-G9 PolarHBondContact O-N 3.31Å; G9-L11 PolarHBondContact O-N 3.21Å
10	V	36.8	Very low	44.8	Very low	103 Å²	103	120.4 Å²	120.4	62%	0.624	76%	0.76	S	S	*	*			trans	-65	118.8	163	-179.5	0	0	0	0	106.9	Q8 E12	Q8-V10 VanDerWaalsContact C-N 3.29Å; Q8-V10 PolarHBondContact O-N 3.34Å; V10-E12 HydrophobicContact CG1-CG 3.9Å; V10-E12 PolarHBondContact O-N 3.3Å
11	L	39.4	Very low	47	Very low	178 Å²	178	118.2 Å²	118.2	93%	0.932	74%	0.742	S	S	*	*			trans	-76.3	78.3	169.1	-66.1	172.4	0	0	0	108.3	G9 G13	G9-L11 PolarHBondContact O-N 3.21Å; L11-G13 PolarHBondContact O-N 3.26Å
12	E	40.3	Very low	49.6	Very low	183 Å²	183	106.7 Å²	106.7	86%	0.855	68%	0.684	S	S	*	*			trans	-83	101.5	160.3	-86.1	175.5	-175.3	0	0	107.4	V10	V10-E12 HydrophobicContact CG1-CG 3.9Å; V10-E12 PolarHBondContact O-N 3.3Å
13	G	41.3	Very low	52.3	Low	56 Å²	56	106.9 Å²	106.9	58%	0.577	66%	0.663	S	S	*	*			trans	-117.8	131.3	169.3	0	0	0	0	0	109.1	L11 D15	L11-G13 PolarHBondContact O-N 3.26Å; G13-D15 PolarHBondContact O-N 3.04Å; G13-D15 VanDerWaalsContact O-N 3.14Å
14	D	44.2	Very low	55.2	Low	174 Å²	174	108.2 Å²	108.2	93%	0.93	64%	0.642	S	S	*	*			trans	-23.3	102.5	178.1	-83.9	-36.7	0	0	0	115.2	A16	D14-A16 PolarHBondContact O-N 3.08Å
15	D	48.2	Very low	57.9	Low	120 Å²	120	103.8 Å²	103.8	64%	0.642	61%	0.609	S	S	*	*			trans	-80.7	103.5	171.1	-83.7	-39.9	0	0	0	109.8	G13 P17 R24	G13-D15 PolarHBondContact O-N 3.04Å; G13-D15 VanDerWaalsContact O-N 3.14Å; D15-P17 WeakPolarHBondContact O-CD 3.08Å; D15-R24 IonicContact OD1-NH1 2.69Å; D15-R24 PolarHBondContact OD1-NH1 3.13Å
16	A	52.6	Low	60.7	Low	55 Å²	55	99.8 Å²	99.8	46%	0.455	58%	0.576	S	S	.	*			trans	-66.8	122	164.3	0	0	0	0	0	109.1	D14 G18	D14-A16 PolarHBondContact O-N 3.08Å; A16-G18 PolarHBondContact O-N 3.5Å
17	P	49.9	Very low	63.4	Low	135 Å²	135	97.9 Å²	97.9	88%	0.877	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	122.4	-174.2	23	-30.7	0	0	0	111.2	D15	D15-P17 WeakPolarHBondContact O-CD 3.08Å
18	G	68.8	Low	66.3	Low	84 Å²	84	98 Å²	98	87%	0.866	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.5	0.6	169.7	0	0	0	0	0	117.2	A16	A16-G18 PolarHBondContact O-N 3.5Å
19	Q	75.6	Confident	69.4	Low	84 Å²	84	90.4 Å²	90.4	39%	0.393	52%	0.515	S	S	.	.			trans	-82.2	137.6	176.8	-73.6	-177.7	8.5	0	0	112.7	E23 R24 Q27	Q19-E23 VanDerWaalsContact CA-OE2 3.31Å; Q19-E23 WeakPolarHBondContact CA-OE2 3.35Å; Q19-R24 HydrophobicContact CB-CG 4.25Å; Q19-Q27 VanDerWaalsContact OE1-NE2 3.08Å
20	S	87.3	Confident	72.6	Confident	29 Å²	29	92.8 Å²	92.8	20%	0.203	51%	0.512	C	S	.	.			trans	-67.5	160.1	177.6	110.5	0	0	0	0	111.8	Y22 E23 R24 E66	S20-Y22 VanDerWaalsContact C-N 3.32Å; S20-Y22 PolarHBondContact O-N 3.23Å; S20-Y22 PolarHBondContact OG-N 3.49Å; S20-E23 PolarHBondContact N-OE2 3.44Å; S20-E23 PolarHBondContact O-N 3.22Å; S20-E23 WeakPolarHBondContact OG-CG 3.48Å; S20-E23 PolarHBondContact OG-N 3.29Å; S20-R24 PolarHBondContact O-N 3.3Å; S20-R24 VanDerWaalsContact O-N 3.12Å; S20-E66 WeakPolarHBondContact CB-OE1 3.26Å; S20-E66 PolarHBondContact OG-OE1 2.9Å; S20-E66 PolarHBondContact OG-OE2 3.36Å
21	L	90.6	Very high	75.5	Confident	75 Å²	75	90 Å²	90	39%	0.393	49%	0.493	S	S	.	.	H	α-helix	trans	-60.2	-45.6	174.8	175.9	66.4	0	0	0	110.6	E23 R24 L25 E66	L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 2.95Å; L21-R24 PolarHBondContact O-N 3.27Å; L21-L25 HydrophobicContact CG-CD1 4.36Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 3.44Å; L21-E66 WeakPolarHBondContact CA-OE1 3.34Å; L21-E66 HydrophobicContact CB-CG 4.41Å; L21-E66 WeakPolarHBondContact CB-OE1 3.37Å; L21-E66 PolarHBondContact N-OE1 3.19Å
22	Y	94.1	Very high	78.3	Confident	13 Å²	13	84 Å²	84	5%	0.051	46%	0.462	C	S	.	.	H	α-helix	trans	-68.5	-31.2	179.6	-71.8	2.9	0	0	0	111.9	S20 L25 S26 Y64 L65 E66 L111 T132 L134	S20-Y22 VanDerWaalsContact C-N 3.32Å; S20-Y22 PolarHBondContact O-N 3.23Å; S20-Y22 PolarHBondContact OG-N 3.49Å; Y22-L25 HydrophobicContact CD1-CD1 4Å; Y22-L25 HydrophobicContact CE1-CD1 4.49Å; Y22-L25 PolarHBondContact O-N 3.31Å; Y22-S26 VanDerWaalsContact O-CB 3.27Å; Y22-S26 WeakPolarHBondContact O-CB 3.39Å; Y22-S26 PolarHBondContact O-N 3.47Å; Y22-Y64 PolarHBondContact OH-O 2.94Å; Y22-Y64 VanDerWaalsContact OH-O 3.1Å; Y22-L65 VanDerWaalsContact OH-C 3.24Å; Y22-L65 PolarHBondContact OH-O 3.42Å; Y22-E66 HydrophobicContact CD1-CB 4.49Å; Y22-E66 HydrophobicContact CD1-CG 3.97Å; Y22-E66 HydrophobicContact CD2-CB 3.88Å; Y22-E66 HydrophobicContact CD2-CG 4.07Å; Y22-E66 HydrophobicContact CE1-CB 4.32Å; Y22-E66 HydrophobicContact CE1-CG 4.12Å; Y22-E66 HydrophobicContact CE2-CB 3.7Å; Y22-E66 HydrophobicContact CE2-CG 4.22Å; Y22-E66 HydrophobicContact CG-CB 4.29Å; Y22-E66 HydrophobicContact CG-CG 3.95Å; Y22-E66 PolarHBondContact N-OE1 3.04Å; Y22-E66 PolarHBondContact OH-N 3.35Å; Y22-L111 HydrophobicContact CD1-CD2 4.16Å; Y22-L111 HydrophobicContact CD2-CD2 3.78Å; Y22-L111 HydrophobicContact CE2-CD2 4.2Å; Y22-L111 HydrophobicContact CG-CD2 3.75Å; Y22-L111 WeakPolarHBondContact O-CD1 3.39Å; Y22-T132 HydrophobicContact CD2-CG2 4.17Å; Y22-L134 HydrophobicContact CE1-CB 4.01Å; Y22-L134 HydrophobicContact CE1-CD1 3.99Å; Y22-L134 HydrophobicContact CE2-CB 3.99Å; Y22-L134 VanDerWaalsContact OH-CB 3.31Å; Y22-L134 WeakPolarHBondContact OH-CB 3.25Å
23	E	92.7	Very high	81	Confident	88 Å²	88	77 Å²	77	41%	0.411	43%	0.433	S	S	.	.	H	α-helix	trans	-63.3	-47.5	171.3	-74	173.8	169.5	0	0	111.8	Q19 S20 L21 L25 S26 Q27	Q19-E23 VanDerWaalsContact CA-OE2 3.31Å; Q19-E23 WeakPolarHBondContact CA-OE2 3.35Å; S20-E23 PolarHBondContact N-OE2 3.44Å; S20-E23 PolarHBondContact O-N 3.22Å; S20-E23 WeakPolarHBondContact OG-CG 3.48Å; S20-E23 PolarHBondContact OG-N 3.29Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 2.95Å; E23-L25 PolarHBondContact O-N 2.87Å; E23-S26 WeakPolarHBondContact O-CB 3.46Å; E23-S26 PolarHBondContact O-N 3.28Å; E23-S26 VanDerWaalsContact O-N 3.16Å; E23-S26 PolarHBondContact O-OG 3.04Å; E23-Q27 PolarHBondContact O-N 2.93Å
24	R	92.3	Very high	83.6	Confident	110 Å²	110	77.6 Å²	77.6	42%	0.415	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-42.8	175.7	-69.5	-172.9	-68.1	177.1	-0	112	D15 Q19 S20 L21 S26 Q27	D15-R24 IonicContact OD1-NH1 2.69Å; D15-R24 PolarHBondContact OD1-NH1 3.13Å; Q19-R24 HydrophobicContact CB-CG 4.25Å; S20-R24 PolarHBondContact O-N 3.3Å; S20-R24 VanDerWaalsContact O-N 3.12Å; L21-R24 PolarHBondContact O-N 3.27Å; R24-S26 VanDerWaalsContact C-N 3.32Å; R24-S26 PolarHBondContact O-N 3.23Å; R24-Q27 PolarHBondContact O-N 2.97Å
25	L	92.8	Very high	86.1	Confident	27 Å²	27	73.6 Å²	73.6	14%	0.141	42%	0.417	C	S	.	.	H	α-helix	trans	-58.5	-45.9	173	-71.5	177	0	0	0	111	L21 Y22 E23 Q27 R28 M29 L111 L134	L21-L25 HydrophobicContact CG-CD1 4.36Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 3.44Å; Y22-L25 HydrophobicContact CD1-CD1 4Å; Y22-L25 HydrophobicContact CE1-CD1 4.49Å; Y22-L25 PolarHBondContact O-N 3.31Å; E23-L25 PolarHBondContact O-N 2.87Å; L25-Q27 PolarHBondContact O-N 3.46Å; L25-Q27 VanDerWaalsContact O-N 3.07Å; L25-R28 VanDerWaalsContact O-CG 3.23Å; L25-R28 WeakPolarHBondContact O-CG 3.48Å; L25-R28 PolarHBondContact O-N 3.4Å; L25-M29 HydrophobicContact CB-SD 4.4Å; L25-M29 VanDerWaalsContact O-CG 3.29Å; L25-M29 WeakPolarHBondContact O-CG 3.41Å; L25-L111 HydrophobicContact CB-CD1 4.13Å; L25-L134 HydrophobicContact CD1-CD1 3.97Å
26	S	94.3	Very high	88.4	Confident	12 Å²	12	72.7 Å²	72.7	8%	0.084	41%	0.405	C	S	.	.	H	α-helix	trans	-58.9	-25.9	-175.1	80.6	0	0	0	0	114.5	Y22 E23 R24 R28 M29 R36 L39	Y22-S26 VanDerWaalsContact O-CB 3.27Å; Y22-S26 WeakPolarHBondContact O-CB 3.39Å; Y22-S26 PolarHBondContact O-N 3.47Å; E23-S26 WeakPolarHBondContact O-CB 3.46Å; E23-S26 PolarHBondContact O-N 3.28Å; E23-S26 VanDerWaalsContact O-N 3.16Å; E23-S26 PolarHBondContact O-OG 3.04Å; R24-S26 VanDerWaalsContact C-N 3.32Å; R24-S26 PolarHBondContact O-N 3.23Å; S26-R28 VanDerWaalsContact C-N 3.3Å; S26-R28 PolarHBondContact O-N 3.49Å; S26-M29 PolarHBondContact O-N 2.89Å; S26-R36 PolarHBondContact O-NH1 2.88Å; S26-R36 VanDerWaalsContact O-NH1 3.15Å; S26-R36 PolarHBondContact O-NH2 3.38Å; S26-L39 VanDerWaalsContact CB-CD1 3.42Å
27	Q	93.9	Very high	90.6	Very high	128 Å²	128	70.3 Å²	70.3	60%	0.598	39%	0.385	S	S	*	.	H	α-helix	trans	-68.2	-28.7	-177.3	-69.5	170.6	5.1	0	0	112.8	Q19 E23 R24 L25	Q19-Q27 VanDerWaalsContact OE1-NE2 3.08Å; E23-Q27 PolarHBondContact O-N 2.93Å; R24-Q27 PolarHBondContact O-N 2.97Å; L25-Q27 PolarHBondContact O-N 3.46Å; L25-Q27 VanDerWaalsContact O-N 3.07Å
28	R	94	Very high	92.9	Very high	166 Å²	166	63.9 Å²	63.9	63%	0.626	34%	0.343	S	S	*	.	H	α-helix	trans	-101.9	-3.1	-179.2	63.8	177.2	-169.8	-140.4	9.8	114.2	L25 S26	L25-R28 VanDerWaalsContact O-CG 3.23Å; L25-R28 WeakPolarHBondContact O-CG 3.48Å; L25-R28 PolarHBondContact O-N 3.4Å; S26-R28 VanDerWaalsContact C-N 3.3Å; S26-R28 PolarHBondContact O-N 3.49Å
29	M	97.6	Very high	94.3	Very high	13 Å²	13	59.9 Å²	59.9	6%	0.064	30%	0.302	C	S	.	.	S	Bend	trans	-89.2	143.4	-177.5	-64.7	-178.1	80.7	0	0	111.6	L25 S26 L39 K40 D41 R109 L111	L25-M29 HydrophobicContact CB-SD 4.4Å; L25-M29 VanDerWaalsContact O-CG 3.29Å; L25-M29 WeakPolarHBondContact O-CG 3.41Å; S26-M29 PolarHBondContact O-N 2.89Å; M29-L39 HydrophobicContact CB-CB 3.71Å; M29-L39 HydrophobicContact CE-CB 4.31Å; M29-L39 WeakPolarHBondContact CE-O 3.38Å; M29-L39 HydrophobicContact SD-CB 4.21Å; M29-K40 CarbonylContact C-O 3.54Å; M29-K40 WeakPolarHBondContact CA-O 3.47Å; M29-K40 WeakPolarHBondContact CB-O 3.28Å; M29-D41 HydrophobicContact CE-CB 3.78Å; M29-D41 HydrophobicContact CG-CB 4.04Å; M29-R109 HydrophobicContact CE-CB 4.41Å; M29-R109 WeakPolarHBondContact CE-O 3.42Å; M29-L111 HydrophobicContact CE-CB 4.5Å; M29-L111 HydrophobicContact CE-CG 4.21Å; M29-L111 HydrophobicContact SD-CB 4.31Å; M29-L111 HydrophobicContact SD-CD1 3.53Å; M29-L111 VanDerWaalsContact SD-CD1 3.53Å; M29-L111 HydrophobicContact SD-CG 3.72Å
30	L	97.9	Very high	95.4	Very high	116 Å²	116	56.6 Å²	56.6	61%	0.607	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.9	175.1	177.8	65.3	0	0	0	110.3	I32 L39 K40	L30-I32 HydrophobicContact CD2-CG2 4Å; L30-I32 HydrophobicContact CG-CG2 4.03Å; L30-I32 PolarHBondContact O-N 3.14Å; L30-L39 CarbonylContact O-C 3.49Å; L30-L39 VanDerWaalsContact O-CA 3.3Å; L30-L39 WeakPolarHBondContact O-CA 3.38Å; L30-K40 PolarHBondContact N-O 3.3Å; L30-K40 PolarHBondContact O-N 2.97Å
31	D	98	Very high	95.9	Very high	45 Å²	45	57.3 Å²	57.3	24%	0.241	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114	171.1	-177.1	4.9	0	0	0	110.3	S33 G34 D35 R36 L39	D31-S33 PolarHBondContact OD1-N 3.41Å; D31-S33 VanDerWaalsContact OD1-N 3.13Å; D31-S33 PolarHBondContact OD1-OG 3.25Å; D31-G34 PolarHBondContact OD1-N 3.04Å; D31-G34 VanDerWaalsContact OD2-C 3.28Å; D31-G34 WeakPolarHBondContact OD2-CA 3.25Å; D31-D35 PolarHBondContact OD2-N 2.86Å; D31-R36 PolarHBondContact OD1-N 3Å; D31-R36 WeakPolarHBondContact OD2-CA 3.47Å; D31-R36 PolarHBondContact OD2-N 3.37Å; D31-L39 HydrophobicContact CB-CD2 3.86Å
32	I	97.5	Very high	96.3	Very high	52 Å²	52	56.1 Å²	56.1	27%	0.267	28%	0.284	S	S	.	.	S	Bend	trans	-102.6	-12.2	-179.2	65.1	166.1	0	0	0	113.1	L30 V38 K40 F110	L30-I32 HydrophobicContact CD2-CG2 4Å; L30-I32 HydrophobicContact CG-CG2 4.03Å; L30-I32 PolarHBondContact O-N 3.14Å; I32-V38 HydrophobicContact CD1-CB 4.43Å; I32-V38 HydrophobicContact CD1-CG1 3.58Å; I32-V38 HydrophobicContact CG1-CB 3.9Å; I32-V38 HydrophobicContact CG1-CG1 3.54Å; I32-V38 WeakPolarHBondContact CG1-O 3.45Å; I32-V38 PolarHBondContact N-O 3.47Å; I32-K40 HydrophobicContact CG2-CB 3.95Å; I32-K40 HydrophobicContact CG2-CD 4.22Å; I32-F110 HydrophobicContact CD1-CD1 4.39Å; I32-F110 HydrophobicContact CD1-CE1 4.03Å
33	S	96.8	Very high	96.4	Very high	36 Å²	36	59.1 Å²	59.1	25%	0.252	30%	0.3	S	S	.	.	S	Bend	trans	-94.4	-19.8	174.5	58.1	0	0	0	0	112.8	D31 D35 G37 V38	D31-S33 PolarHBondContact OD1-N 3.41Å; D31-S33 VanDerWaalsContact OD1-N 3.13Å; D31-S33 PolarHBondContact OD1-OG 3.25Å; S33-D35 VanDerWaalsContact C-N 3.26Å; S33-D35 VanDerWaalsContact CB-OD1 3.25Å; S33-D35 WeakPolarHBondContact CB-OD1 3.39Å; S33-D35 PolarHBondContact O-N 3.24Å; S33-D35 PolarHBondContact OG-OD1 3.04Å; S33-G37 PolarHBondContact OG-N 3.33Å; S33-V38 PolarHBondContact OG-N 3.42Å
34	G	96.5	Very high	96.7	Very high	67 Å²	67	60.2 Å²	60.2	69%	0.691	30%	0.301	S	S	*	.	S	Bend	trans	84.8	-5.6	178.7	0	0	0	0	0	114.4	D31	D31-G34 PolarHBondContact OD1-N 3.04Å; D31-G34 VanDerWaalsContact OD2-C 3.28Å; D31-G34 WeakPolarHBondContact OD2-CA 3.25Å
35	D	97.1	Very high	97	Very high	91 Å²	91	61.5 Å²	61.5	49%	0.487	31%	0.311	S	S	.	.	S	Bend	trans	-119.1	14.2	178.3	74.4	-23	0	0	0	112.4	D31 S33 G37 Y116	D31-D35 PolarHBondContact OD2-N 2.86Å; S33-D35 VanDerWaalsContact C-N 3.26Å; S33-D35 VanDerWaalsContact CB-OD1 3.25Å; S33-D35 WeakPolarHBondContact CB-OD1 3.39Å; S33-D35 PolarHBondContact O-N 3.24Å; S33-D35 PolarHBondContact OG-OD1 3.04Å; D35-G37 PolarHBondContact O-N 3.14Å; D35-G37 WeakPolarHBondContact OD1-CA 3.4Å; D35-G37 PolarHBondContact OD1-N 2.89Å; D35-Y116 PolarHBondContact OD1-OH 3.03Å; D35-Y116 WeakPolarHBondContact OD2-CE2 3.32Å; D35-Y116 PolarHBondContact OD2-OH 3.45Å
36	R	96.9	Very high	97.2	Very high	101 Å²	101	61 Å²	61	38%	0.381	31%	0.313	S	S	.	.	S	Bend	trans	62.1	14.8	-174.4	-58.2	-79.4	-65.6	160.6	3.5	114.3	S26 D31 L39 K113	S26-R36 PolarHBondContact O-NH1 2.88Å; S26-R36 VanDerWaalsContact O-NH1 3.15Å; S26-R36 PolarHBondContact O-NH2 3.38Å; D31-R36 PolarHBondContact OD1-N 3Å; D31-R36 WeakPolarHBondContact OD2-CA 3.47Å; D31-R36 PolarHBondContact OD2-N 3.37Å; R36-L39 HydrophobicContact CB-CD2 4.4Å; R36-L39 VanDerWaalsContact NH1-CD2 3.34Å; R36-K113 WeakPolarHBondContact O-CG 3.42Å
37	G	97.1	Very high	97.3	Very high	4 Å²	4	63.8 Å²	63.8	4%	0.041	34%	0.336	C	S	.	.	S	Bend	trans	-76.1	-35.6	179.4	0	0	0	0	0	114.3	S33 D35 K113	S33-G37 PolarHBondContact OG-N 3.33Å; D35-G37 PolarHBondContact O-N 3.14Å; D35-G37 WeakPolarHBondContact OD1-CA 3.4Å; D35-G37 PolarHBondContact OD1-N 2.89Å; G37-K113 WeakPolarHBondContact O-CB 3.48Å; G37-K113 PolarHBondContact O-N 3.16Å
38	V	98.4	Very high	97.3	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.6	177.7	-175.3	0	0	0	0	109.2	I32 S33 L97 F110 F112 Y116	I32-V38 HydrophobicContact CD1-CB 4.43Å; I32-V38 HydrophobicContact CD1-CG1 3.58Å; I32-V38 HydrophobicContact CG1-CB 3.9Å; I32-V38 HydrophobicContact CG1-CG1 3.54Å; I32-V38 WeakPolarHBondContact CG1-O 3.45Å; I32-V38 PolarHBondContact N-O 3.47Å; S33-V38 PolarHBondContact OG-N 3.42Å; V38-L97 HydrophobicContact CG2-CD1 4.17Å; V38-F110 HydrophobicContact CG1-CD1 4.43Å; V38-F112 HydrophobicContact CG1-CD1 3.83Å; V38-F112 HydrophobicContact CG1-CE1 3.76Å; V38-F112 HydrophobicContact CG2-CD1 4.39Å; V38-Y116 HydrophobicContact CG2-CD1 3.55Å; V38-Y116 HydrophobicContact CG2-CD2 4.13Å; V38-Y116 HydrophobicContact CG2-CE1 4.1Å; V38-Y116 HydrophobicContact CG2-CG 3.56Å
39	L	98.6	Very high	97.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.4	-178.8	-51.7	177.4	0	0	0	110.1	S26 M29 L30 D31 R36 F110 L111	S26-L39 VanDerWaalsContact CB-CD1 3.42Å; M29-L39 HydrophobicContact CB-CB 3.71Å; M29-L39 HydrophobicContact CE-CB 4.31Å; M29-L39 WeakPolarHBondContact CE-O 3.38Å; M29-L39 HydrophobicContact SD-CB 4.21Å; L30-L39 CarbonylContact O-C 3.49Å; L30-L39 VanDerWaalsContact O-CA 3.3Å; L30-L39 WeakPolarHBondContact O-CA 3.38Å; D31-L39 HydrophobicContact CB-CD2 3.86Å; R36-L39 HydrophobicContact CB-CD2 4.4Å; R36-L39 VanDerWaalsContact NH1-CD2 3.34Å; L39-F110 CarbonylContact O-C 3.44Å; L39-F110 WeakPolarHBondContact O-CA 3.08Å; L39-L111 HydrophobicContact CB-CB 4.26Å; L39-L111 PolarHBondContact N-O 3.45Å; L39-L111 PolarHBondContact O-N 3.41Å
40	K	98.5	Very high	97.3	Very high	15 Å²	15	61.8 Å²	61.8	7%	0.065	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.3	-174	-178.4	-179.9	-176	178.9	0	112.1	M29 L30 I32 V42 S101 E106 A108 R109 F110	M29-K40 CarbonylContact C-O 3.54Å; M29-K40 WeakPolarHBondContact CA-O 3.47Å; M29-K40 WeakPolarHBondContact CB-O 3.28Å; L30-K40 PolarHBondContact N-O 3.3Å; L30-K40 PolarHBondContact O-N 2.97Å; I32-K40 HydrophobicContact CG2-CB 3.95Å; I32-K40 HydrophobicContact CG2-CD 4.22Å; K40-V42 HydrophobicContact CD-CG2 4.46Å; K40-S101 WeakPolarHBondContact CD-OG 3.14Å; K40-S101 PolarHBondContact NZ-O 3.45Å; K40-S101 PolarHBondContact NZ-OG 3.29Å; K40-E106 WeakPolarHBondContact CE-OE1 3.38Å; K40-E106 IonicContact NZ-OE1 2.7Å; K40-E106 PolarHBondContact NZ-OE1 2.96Å; K40-E106 IonicContact NZ-OE2 3.6Å; K40-A108 HydrophobicContact CG-CB 4.41Å; K40-R109 CarbonylContact C-O 3.57Å; K40-R109 WeakPolarHBondContact CA-O 3.4Å; K40-F110 HydrophobicContact CB-CD1 3.91Å; K40-F110 HydrophobicContact CB-CE1 3.77Å; K40-F110 HydrophobicContact CD-CE1 3.67Å; K40-F110 HydrophobicContact CD-CZ 4.01Å; K40-F110 HydrophobicContact CG-CD1 4.04Å; K40-F110 HydrophobicContact CG-CE1 3.5Å; K40-F110 VanDerWaalsContact CG-CE1 3.5Å; K40-F110 HydrophobicContact CG-CZ 3.95Å
41	D	98.3	Very high	97.2	Very high	45 Å²	45	56.5 Å²	56.5	24%	0.241	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	119.7	169.3	-172.4	20.2	0	0	0	108.9	M29 I43 A108 R109	M29-D41 HydrophobicContact CE-CB 3.78Å; M29-D41 HydrophobicContact CG-CB 4.04Å; D41-I43 PolarHBondContact O-N 3.46Å; D41-A108 CarbonylContact O-C 3.43Å; D41-A108 VanDerWaalsContact O-CA 3.28Å; D41-A108 WeakPolarHBondContact O-CA 3.38Å; D41-A108 WeakPolarHBondContact O-CB 3.49Å; D41-R109 HydrophobicContact CB-CB 4.16Å; D41-R109 PolarHBondContact N-O 3.34Å; D41-R109 PolarHBondContact O-N 3.45Å
42	V	98.3	Very high	96.9	Very high	50 Å²	50	55.6 Å²	55.6	30%	0.303	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.9	-179	179.9	0	0	0	0	109	K40 E45 E106	K40-V42 HydrophobicContact CD-CG2 4.46Å; V42-E45 HydrophobicContact CG1-CG 4.33Å; V42-E106 HydrophobicContact CG1-CG 4.2Å
43	I	98.1	Very high	96.5	Very high	75 Å²	75	57.5 Å²	57.5	39%	0.385	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-41.4	175.9	-60	163.4	0	0	0	110.2	D41 L107 R109	D41-I43 PolarHBondContact O-N 3.46Å; I43-L107 WeakPolarHBondContact CA-O 3.43Å; I43-L107 HydrophobicContact CB-CD2 4.2Å; I43-L107 HydrophobicContact CB-CG 4.09Å; I43-L107 WeakPolarHBondContact CB-O 3.49Å; I43-L107 HydrophobicContact CD1-CD2 4.29Å; I43-L107 HydrophobicContact CD1-CG 4.04Å; I43-L107 HydrophobicContact CG2-CD2 3.98Å; I43-L107 HydrophobicContact CG2-CG 4.43Å; I43-L107 PolarHBondContact N-O 3.29Å; I43-R109 HydrophobicContact CD1-CB 4.42Å; I43-R109 HydrophobicContact CD1-CG 3.7Å; I43-R109 HydrophobicContact CG1-CG 4.42Å
44	R	98.3	Very high	96.1	Very high	112 Å²	112	59.7 Å²	59.7	42%	0.423	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	124.2	177.7	-171.9	-180	67.3	-148.5	-0.6	109.2	G105 E106 L107 E138	R44-G105 PolarHBondContact NE-O 3.24Å; R44-G105 PolarHBondContact NH2-O 2.88Å; R44-E106 CarbonylContact O-C 3.4Å; R44-E106 VanDerWaalsContact O-CA 3.3Å; R44-E106 WeakPolarHBondContact O-CA 3.2Å; R44-E106 VanDerWaalsContact O-CG 3.31Å; R44-E106 WeakPolarHBondContact O-CG 3.35Å; R44-L107 HydrophobicContact CB-CB 3.94Å; R44-L107 PolarHBondContact N-O 3.05Å; R44-L107 PolarHBondContact O-N 2.88Å; R44-E138 IonicContact CZ-OE1 2.97Å; R44-E138 IonicContact NH1-OE1 2.77Å; R44-E138 IonicContact NH2-OE1 3.87Å; R44-E138 PolarHBondContact NH2-OE1 3.48Å
45	E	98.1	Very high	95.9	Very high	137 Å²	137	56.5 Å²	56.5	64%	0.64	32%	0.317	S	S	*	.			trans	-61.8	141.2	176.5	-68.9	-64.1	163.8	0	0	112	V42	V42-E45 HydrophobicContact CG1-CG 4.33Å
46	G	97.1	Very high	95.7	Very high	17 Å²	17	52.8 Å²	52.8	18%	0.175	30%	0.298	C	S	.	.			trans	-94.6	-178.4	166.9	0	0	0	0	0	112	R104	G46-R104 CarbonylContact C-O 3.53Å; G46-R104 WeakPolarHBondContact CA-O 3.48Å
47	A	96.1	Very high	95.7	Very high	69 Å²	69	48 Å²	48	57%	0.57	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	162.1	178.2	0	0	0	0	0	112.2	R104	A47-R104 PolarHBondContact N-O 2.95Å; A47-R104 PolarHBondContact O-N 2.99Å
48	G	94.4	Very high	95.5	Very high	50 Å²	50	48.3 Å²	48.3	52%	0.515	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.3	-163.6	-177.9	0	0	0	0	0	112.3	R103	G48-R103 WeakPolarHBondContact O-CD 3.3Å; G48-R103 PolarHBondContact O-NH1 3.43Å
49	D	94.7	Very high	95.3	Very high	130 Å²	130	48.3 Å²	48.3	70%	0.695	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	162.3	-174.6	-58.4	-45.9	0	0	0	113
50	L	96.2	Very high	95.2	Very high	85 Å²	85	51 Å²	51	45%	0.445	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	156.3	167.8	-69.3	171.8	0	0	0	110.2	A52 S101 M102 R103	L50-A52 PolarHBondContact O-N 2.89Å; L50-S101 WeakPolarHBondContact CD2-O 3.3Å; L50-M102 WeakPolarHBondContact CA-O 3.47Å; L50-R103 HydrophobicContact CD2-CG 4Å
51	V	96.3	Very high	95.1	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.036	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-59.9	126.4	173.3	-178.7	0	0	0	0	109.9	A55 V57 L86 L99 M102 L139 F142	V51-A55 HydrophobicContact CG1-CB 3.68Å; V51-V57 HydrophobicContact CG1-CG1 3.68Å; V51-L86 HydrophobicContact CG1-CD1 3.57Å; V51-L99 WeakPolarHBondContact CB-O 3.47Å; V51-L99 VanDerWaalsContact CG2-O 3.28Å; V51-L99 WeakPolarHBondContact CG2-O 3.28Å; V51-M102 PolarHBondContact N-O 3.31Å; V51-L139 HydrophobicContact CG2-CD1 4.4Å; V51-L139 HydrophobicContact CG2-CD2 3.26Å; V51-L139 HydrophobicContact CG2-CG 4.47Å; V51-F142 HydrophobicContact CG1-CD2 4.49Å; V51-F142 HydrophobicContact CG1-CG 4.43Å; V51-F142 HydrophobicContact CG2-CD1 3.86Å; V51-F142 HydrophobicContact CG2-CE1 4.17Å; V51-F142 HydrophobicContact CG2-CG 4.14Å
52	A	92.5	Very high	95	Very high	26 Å²	26	50 Å²	50	22%	0.215	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-69	149.2	176.4	0	0	0	0	0	111.3	L50 A55	L50-A52 PolarHBondContact O-N 2.89Å; A52-A55 HydrophobicContact CB-CB 4.41Å; A52-A55 WeakPolarHBondContact O-CB 3.38Å; A52-A55 PolarHBondContact O-N 2.97Å; A52-A55 VanDerWaalsContact O-N 3.07Å
53	P	89.2	Confident	95	Very high	92 Å²	92	47.6 Å²	47.6	60%	0.597	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	142.9	165.6	-24.1	34.3	0	0	0	110.5	A55	P53-A55 PolarHBondContact O-N 2.94Å; P53-A55 VanDerWaalsContact O-N 3.1Å
54	D	86.8	Confident	94.9	Very high	82 Å²	82	46.4 Å²	46.4	44%	0.439	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	13.9	-176.7	-43.6	-46.6	0	0	0	114.4	K85 S145	D54-K85 WeakPolarHBondContact O-CD 3.18Å; D54-K85 VanDerWaalsContact O-CE 3.23Å; D54-K85 WeakPolarHBondContact O-CE 3.46Å; D54-K85 PolarHBondContact O-NZ 3.3Å; D54-S145 PolarHBondContact O-OG 3.23Å; D54-S145 VanDerWaalsContact O-OG 3.12Å
55	A	93	Very high	94.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.249	C	C	.	.			trans	-64.2	153.4	177	0	0	0	0	0	111.8	V51 A52 P53 V57 L86 F142 L143	V51-A55 HydrophobicContact CG1-CB 3.68Å; A52-A55 HydrophobicContact CB-CB 4.41Å; A52-A55 WeakPolarHBondContact O-CB 3.38Å; A52-A55 PolarHBondContact O-N 2.97Å; A52-A55 VanDerWaalsContact O-N 3.07Å; P53-A55 PolarHBondContact O-N 2.94Å; P53-A55 VanDerWaalsContact O-N 3.1Å; A55-V57 HydrophobicContact CB-CG1 4.46Å; A55-L86 HydrophobicContact CB-CD1 4.37Å; A55-L86 PolarHBondContact O-N 3.48Å; A55-F142 HydrophobicContact CB-CD2 4.25Å; A55-L143 WeakPolarHBondContact CA-O 3.28Å
56	S	93.9	Very high	94.5	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.6	164.6	-60.2	0	0	0	0	109	M84 F142 L143 S145	S56-M84 CarbonylContact C-O 3.51Å; S56-M84 WeakPolarHBondContact CA-O 3.16Å; S56-F142 CarbonylContact O-C 3.6Å; S56-F142 VanDerWaalsContact O-CA 3.3Å; S56-F142 WeakPolarHBondContact O-CA 3.47Å; S56-L143 PolarHBondContact N-O 3.17Å; S56-L143 PolarHBondContact O-N 3.37Å; S56-S145 PolarHBondContact OG-OG 3.15Å
57	V	95	Very high	94.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	146.8	-173.3	-62.4	0	0	0	0	112.1	V51 A55 V59 M84 L86 I90 L99 L139 F142	V51-V57 HydrophobicContact CG1-CG1 3.68Å; A55-V57 HydrophobicContact CB-CG1 4.46Å; V57-V59 HydrophobicContact CB-CG1 3.99Å; V57-V59 HydrophobicContact CG2-CG1 3.86Å; V57-M84 HydrophobicContact CG2-CB 4.5Å; V57-M84 WeakPolarHBondContact CG2-O 3.28Å; V57-M84 PolarHBondContact N-O 3.45Å; V57-M84 PolarHBondContact O-N 2.85Å; V57-L86 HydrophobicContact CG1-CD1 3.9Å; V57-L86 HydrophobicContact CG1-CD2 4.47Å; V57-L86 HydrophobicContact CG1-CG 4.04Å; V57-L86 HydrophobicContact CG2-CD2 4.29Å; V57-L86 HydrophobicContact CG2-CG 4.36Å; V57-I90 HydrophobicContact CG2-CD1 3.43Å; V57-I90 VanDerWaalsContact CG2-CD1 3.43Å; V57-L99 HydrophobicContact CG2-CD1 4.23Å; V57-L139 HydrophobicContact CB-CD1 4.14Å; V57-L139 HydrophobicContact CG1-CD1 4.33Å; V57-F142 HydrophobicContact CG1-CB 4Å
58	L	93.5	Very high	93.9	Very high	11 Å²	11	46.5 Å²	46.5	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	108.5	173.1	-170.1	73.7	0	0	0	108.1	P81 L83 L140 D141 Y180	L58-P81 HydrophobicContact CD1-CB 3.68Å; L58-P81 HydrophobicContact CD1-CG 4.5Å; L58-P81 WeakPolarHBondContact CD1-O 3.28Å; L58-P81 HydrophobicContact CG-CB 4.13Å; L58-L83 HydrophobicContact CB-CD1 4.12Å; L58-L140 HydrophobicContact CB-CB 4.36Å; L58-L140 HydrophobicContact CD2-CB 3.96Å; L58-L140 HydrophobicContact CD2-CD1 4.13Å; L58-L140 HydrophobicContact CG-CB 4.16Å; L58-L140 HydrophobicContact CG-CD1 4.16Å; L58-L140 WeakPolarHBondContact O-CB 3.43Å; L58-L140 PolarHBondContact O-N 3.06Å; L58-D141 HydrophobicContact CB-CB 4.16Å; L58-D141 WeakPolarHBondContact CB-O 3.47Å; L58-D141 HydrophobicContact CD2-CB 4.27Å; L58-D141 PolarHBondContact N-O 3.09Å; L58-D141 PolarHBondContact O-N 3.38Å; L58-Y180 HydrophobicContact CD1-CE2 3.79Å; L58-Y180 WeakPolarHBondContact CD1-OH 3.28Å; L58-Y180 HydrophobicContact CD2-CE2 3.83Å; L58-Y180 HydrophobicContact CG-CE2 4.44Å
59	V	95.3	Very high	93.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.2	-169.8	-59.1	0	0	0	0	111.3	V57 Y61 N75 M84 M95 L99 E138 L139	V57-V59 HydrophobicContact CB-CG1 3.99Å; V57-V59 HydrophobicContact CG2-CG1 3.86Å; V59-Y61 HydrophobicContact CG2-CD1 4.3Å; V59-N75 PolarHBondContact O-ND2 3.31Å; V59-M84 HydrophobicContact CG2-SD 4.46Å; V59-M95 HydrophobicContact CG2-CE 4.02Å; V59-L99 HydrophobicContact CG1-CD1 4.27Å; V59-L99 HydrophobicContact CG1-CD2 3.45Å; V59-L99 VanDerWaalsContact CG1-CD2 3.45Å; V59-E138 CarbonylContact C-O 3.51Å; V59-E138 WeakPolarHBondContact CA-O 3.41Å; V59-L139 HydrophobicContact CG1-CD1 3.88Å
60	K	95.9	Very high	93.5	Very high	56 Å²	56	55.6 Å²	55.6	24%	0.243	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.3	158.1	-73.7	178.1	177.3	-179.9	0	109.1	N75 Y76 P81 I137 E138 L140	K60-N75 WeakPolarHBondContact CA-OD1 3.29Å; K60-Y76 HydrophobicContact CB-CD2 4.24Å; K60-Y76 HydrophobicContact CB-CE1 4.14Å; K60-Y76 HydrophobicContact CB-CE2 3.78Å; K60-Y76 HydrophobicContact CD-CD1 4.02Å; K60-Y76 HydrophobicContact CD-CE1 3.8Å; K60-P81 HydrophobicContact CG-CG 3.99Å; K60-I137 CarbonylContact O-C 3.6Å; K60-I137 WeakPolarHBondContact O-CA 3.31Å; K60-E138 HydrophobicContact CB-CB 4.23Å; K60-E138 PolarHBondContact N-O 3.2Å; K60-E138 PolarHBondContact O-N 2.92Å; K60-L140 HydrophobicContact CD-CD1 4.23Å; K60-L140 HydrophobicContact CG-CD1 3.98Å
61	Y	96.4	Very high	93.4	Very high	31 Å²	31	54.1 Å²	54.1	12%	0.122	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.1	178.7	72.1	-93.7	0	0	0	112.9	V59 D73 S74 N75 Y76 M95 F135 E136	V59-Y61 HydrophobicContact CG2-CD1 4.3Å; Y61-D73 HydrophobicContact CE2-CB 4.38Å; Y61-D73 VanDerWaalsContact CE2-OD2 3.22Å; Y61-D73 WeakPolarHBondContact CE2-OD2 3.46Å; Y61-D73 PolarHBondContact OH-OD2 3.24Å; Y61-S74 VanDerWaalsContact O-CA 3.26Å; Y61-S74 WeakPolarHBondContact O-CA 3.49Å; Y61-S74 PolarHBondContact O-OG 3.15Å; Y61-N75 HydrophobicContact CD1-CB 4.33Å; Y61-N75 WeakPolarHBondContact CD1-ND2 3.32Å; Y61-N75 HydrophobicContact CE1-CB 3.97Å; Y61-N75 PolarHBondContact N-OD1 2.96Å; Y61-N75 PolarHBondContact O-N 2.92Å; Y61-N75 PolarHBondContact O-OD1 3.27Å; Y61-Y76 WeakPolarHBondContact O-CD2 3.46Å; Y61-M95 HydrophobicContact CD1-CE 3.59Å; Y61-M95 HydrophobicContact CE1-CE 4.07Å; Y61-M95 HydrophobicContact CG-CE 3.94Å; Y61-F135 AromaticContact CD2-CD1 3.88Å; Y61-F135 HydrophobicContact CD2-CD1 3.88Å; Y61-F135 AromaticContact CD2-CE1 3.71Å; Y61-F135 HydrophobicContact CD2-CE1 3.71Å; Y61-F135 AromaticContact CE2-CE1 3.98Å; Y61-F135 HydrophobicContact CE2-CE1 3.98Å; Y61-E136 CarbonylContact C-O 3.6Å; Y61-E136 WeakPolarHBondContact CA-O 3.48Å; Y61-E136 WeakPolarHBondContact CB-O 3.33Å
62	S	96.9	Very high	93.3	Very high	8 Å²	8	55.8 Å²	55.8	6%	0.056	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.1	168.6	-68.3	0	0	0	0	109.4	Y64 D73 S74 Y76 F135 E136	S62-Y64 VanDerWaalsContact CB-CE2 3.42Å; S62-Y64 WeakPolarHBondContact CB-OH 3.48Å; S62-Y64 WeakPolarHBondContact O-CE2 3.47Å; S62-D73 CarbonylContact C-O 3.38Å; S62-D73 WeakPolarHBondContact CA-O 3.25Å; S62-S74 WeakPolarHBondContact OG-CB 3.36Å; S62-S74 PolarHBondContact OG-OG 3.39Å; S62-Y76 WeakPolarHBondContact OG-CD2 3.48Å; S62-F135 CarbonylContact O-C 3.58Å; S62-F135 WeakPolarHBondContact O-CA 3.47Å; S62-E136 PolarHBondContact N-O 3.07Å; S62-E136 PolarHBondContact O-N 3.04Å
63	G	96.9	Very high	93.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.8	177.8	0	0	0	0	0	111.6	P71 F72 D73 L134	G63-P71 CarbonylContact O-C 3.4Å; G63-P71 WeakPolarHBondContact O-CA 3.4Å; G63-P71 WeakPolarHBondContact O-CB 3.35Å; G63-F72 VanDerWaalsContact C-CD1 3.47Å; G63-F72 WeakPolarHBondContact O-CD1 3.44Å; G63-F72 PolarHBondContact O-N 3.1Å; G63-D73 PolarHBondContact N-O 3.31Å; G63-L134 CarbonylContact C-O 3.52Å; G63-L134 VanDerWaalsContact CA-O 3.31Å; G63-L134 WeakPolarHBondContact CA-O 3.29Å
64	Y	96.8	Very high	93.6	Very high	50 Å²	50	54.1 Å²	54.1	20%	0.196	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.3	-173.4	-59.8	-95	0	0	0	111.8	Y22 S62 P71 F72 L134 E136	Y22-Y64 PolarHBondContact OH-O 2.94Å; Y22-Y64 VanDerWaalsContact OH-O 3.1Å; S62-Y64 VanDerWaalsContact CB-CE2 3.42Å; S62-Y64 WeakPolarHBondContact CB-OH 3.48Å; S62-Y64 WeakPolarHBondContact O-CE2 3.47Å; Y64-P71 HydrophobicContact CD1-CB 4.13Å; Y64-P71 HydrophobicContact CE1-CB 3.81Å; Y64-P71 HydrophobicContact CE1-CG 4.21Å; Y64-P71 HydrophobicContact CE2-CB 4.42Å; Y64-F72 VanDerWaalsContact N-CE1 3.3Å; Y64-L134 HydrophobicContact CD2-CD2 3.86Å; Y64-L134 PolarHBondContact N-O 3.1Å; Y64-L134 PolarHBondContact O-N 2.91Å; Y64-E136 HydrophobicContact CE2-CG 4.31Å
65	L	95.8	Very high	93.9	Very high	27 Å²	27	50.8 Å²	50.8	14%	0.141	24%	0.243	C	C	.	.			trans	-87.4	151.5	165.6	-67.4	174.5	0	0	0	109.5	Y22 H67 M68 F72 L126 I127 T131 V133	Y22-L65 VanDerWaalsContact OH-C 3.24Å; Y22-L65 PolarHBondContact OH-O 3.42Å; L65-H67 PolarHBondContact O-N 3.41Å; L65-M68 HydrophobicContact CB-CB 4.12Å; L65-M68 HydrophobicContact CB-CG 3.89Å; L65-M68 PolarHBondContact O-N 2.97Å; L65-M68 VanDerWaalsContact O-N 3.14Å; L65-F72 HydrophobicContact CD2-CD1 4.28Å; L65-F72 HydrophobicContact CD2-CE1 4.39Å; L65-F72 HydrophobicContact CG-CD1 3.8Å; L65-F72 HydrophobicContact CG-CE1 4.35Å; L65-L126 WeakPolarHBondContact CD1-O 3.39Å; L65-I127 HydrophobicContact CD2-CG1 4.4Å; L65-I127 HydrophobicContact CD2-CG2 4.44Å; L65-T131 HydrophobicContact CD2-CG2 3.57Å; L65-V133 HydrophobicContact CD2-CG1 4.08Å
66	E	92.6	Very high	93.8	Very high	52 Å²	52	55.1 Å²	55.1	24%	0.243	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	137.9	176.7	-159.8	169.2	-160.2	0	0	110.4	S20 L21 Y22 M68	S20-E66 WeakPolarHBondContact CB-OE1 3.26Å; S20-E66 PolarHBondContact OG-OE1 2.9Å; S20-E66 PolarHBondContact OG-OE2 3.36Å; L21-E66 WeakPolarHBondContact CA-OE1 3.34Å; L21-E66 HydrophobicContact CB-CG 4.41Å; L21-E66 WeakPolarHBondContact CB-OE1 3.37Å; L21-E66 PolarHBondContact N-OE1 3.19Å; Y22-E66 HydrophobicContact CD1-CB 4.49Å; Y22-E66 HydrophobicContact CD1-CG 3.97Å; Y22-E66 HydrophobicContact CD2-CB 3.88Å; Y22-E66 HydrophobicContact CD2-CG 4.07Å; Y22-E66 HydrophobicContact CE1-CB 4.32Å; Y22-E66 HydrophobicContact CE1-CG 4.12Å; Y22-E66 HydrophobicContact CE2-CB 3.7Å; Y22-E66 HydrophobicContact CE2-CG 4.22Å; Y22-E66 HydrophobicContact CG-CB 4.29Å; Y22-E66 HydrophobicContact CG-CG 3.95Å; Y22-E66 PolarHBondContact N-OE1 3.04Å; Y22-E66 PolarHBondContact OH-N 3.35Å; E66-M68 PolarHBondContact O-N 3.16Å
67	H	88.8	Confident	93.4	Very high	150 Å²	150	62.1 Å²	62.1	69%	0.694	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	10.7	-175.9	-45.5	-65.9	0	0	0	116.1	L65	L65-H67 PolarHBondContact O-N 3.41Å
68	M	91.1	Very high	92.8	Very high	109 Å²	109	68 Å²	68	54%	0.537	31%	0.311	S	S	.	.			trans	-109.1	119.3	175.2	-66.1	-68.9	-72.2	0	0	110.8	L65 E66 R70	L65-M68 HydrophobicContact CB-CB 4.12Å; L65-M68 HydrophobicContact CB-CG 3.89Å; L65-M68 PolarHBondContact O-N 2.97Å; L65-M68 VanDerWaalsContact O-N 3.14Å; E66-M68 PolarHBondContact O-N 3.16Å; M68-R70 VanDerWaalsContact C-N 3.28Å; M68-R70 PolarHBondContact O-N 3.47Å
69	D	86.9	Confident	92.1	Very high	162 Å²	162	77.4 Å²	77.4	87%	0.866	35%	0.352	S	S	*	.	S	Bend	trans	-75.2	-19.6	178.1	-62.3	-34.9	0	0	0	113.1
70	R	92.7	Very high	91.3	Very high	209 Å²	209	80.9 Å²	80.9	79%	0.789	37%	0.373	S	S	*	.	S	Bend	trans	-98.8	133.5	179.4	-67.2	-173.2	-177.6	-172.7	1.8	110.4	M68	M68-R70 VanDerWaalsContact C-N 3.28Å; M68-R70 PolarHBondContact O-N 3.47Å
71	P	95.8	Very high	90.6	Very high	53 Å²	53	78.7 Å²	78.7	34%	0.344	36%	0.364	S	S	.	.			trans	-67.3	141.3	176.4	28.6	-33.3	0	0	0	110.5	G63 Y64	G63-P71 CarbonylContact O-C 3.4Å; G63-P71 WeakPolarHBondContact O-CA 3.4Å; G63-P71 WeakPolarHBondContact O-CB 3.35Å; Y64-P71 HydrophobicContact CD1-CB 4.13Å; Y64-P71 HydrophobicContact CE1-CB 3.81Å; Y64-P71 HydrophobicContact CE1-CG 4.21Å; Y64-P71 HydrophobicContact CE2-CB 4.42Å
72	F	94.3	Very high	90.1	Very high	42 Å²	42	83.7 Å²	83.7	18%	0.184	38%	0.383	C	S	.	.	S	Bend	trans	-79.3	-25.8	173	65.4	-99.9	0	0	0	111.8	G63 Y64 L65 Y118 I127 V133 F135	G63-F72 VanDerWaalsContact C-CD1 3.47Å; G63-F72 WeakPolarHBondContact O-CD1 3.44Å; G63-F72 PolarHBondContact O-N 3.1Å; Y64-F72 VanDerWaalsContact N-CE1 3.3Å; L65-F72 HydrophobicContact CD2-CD1 4.28Å; L65-F72 HydrophobicContact CD2-CE1 4.39Å; L65-F72 HydrophobicContact CG-CD1 3.8Å; L65-F72 HydrophobicContact CG-CE1 4.35Å; F72-Y118 HydrophobicContact CE2-CE2 4.14Å; F72-Y118 WeakPolarHBondContact CE2-OH 3.29Å; F72-Y118 HydrophobicContact CZ-CE2 4.11Å; F72-I127 HydrophobicContact CD2-CD1 3.86Å; F72-I127 HydrophobicContact CD2-CG1 4.24Å; F72-I127 HydrophobicContact CE2-CD1 3.79Å; F72-I127 HydrophobicContact CE2-CG1 4.43Å; F72-I127 HydrophobicContact CG-CG1 4.42Å; F72-I127 HydrophobicContact CZ-CD1 4.35Å; F72-V133 HydrophobicContact CE1-CB 4.14Å; F72-V133 HydrophobicContact CE1-CG1 3.98Å; F72-V133 HydrophobicContact CZ-CB 4.19Å; F72-V133 HydrophobicContact CZ-CG1 4.07Å; F72-F135 HydrophobicContact CE2-CE2 4.48Å; F72-F135 HydrophobicContact CE2-CZ 4.01Å; F72-F135 AromaticContact CZ-CE2 3.72Å; F72-F135 HydrophobicContact CZ-CE2 3.72Å; F72-F135 AromaticContact CZ-CZ 3.67Å; F72-F135 HydrophobicContact CZ-CZ 3.67Å
73	D	92.8	Very high	89.7	Confident	61 Å²	61	84.8 Å²	84.8	33%	0.326	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	139.4	171.9	-173.8	18.4	0	0	0	109.5	Y61 S62 G63	Y61-D73 HydrophobicContact CE2-CB 4.38Å; Y61-D73 VanDerWaalsContact CE2-OD2 3.22Å; Y61-D73 WeakPolarHBondContact CE2-OD2 3.46Å; Y61-D73 PolarHBondContact OH-OD2 3.24Å; S62-D73 CarbonylContact C-O 3.38Å; S62-D73 WeakPolarHBondContact CA-O 3.25Å; G63-D73 PolarHBondContact N-O 3.31Å
74	S	94.6	Very high	89.5	Confident	22 Å²	22	86.3 Å²	86.3	15%	0.154	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	143.3	176.9	179.7	0	0	0	0	109.7	Y61 S62 Y76 F77	Y61-S74 VanDerWaalsContact O-CA 3.26Å; Y61-S74 WeakPolarHBondContact O-CA 3.49Å; Y61-S74 PolarHBondContact O-OG 3.15Å; S62-S74 WeakPolarHBondContact OG-CB 3.36Å; S62-S74 PolarHBondContact OG-OG 3.39Å; S74-Y76 PolarHBondContact OG-N 3.39Å; S74-F77 WeakPolarHBondContact O-CD1 3.28Å; S74-F77 WeakPolarHBondContact O-CE1 3.4Å
75	N	93.8	Very high	89.3	Confident	12 Å²	12	84.9 Å²	84.9	6%	0.064	39%	0.391	C	S	.	.			trans	-107.7	5.9	174.9	77	-2.4	0	0	0	113.6	V59 K60 Y61 F77 R78	V59-N75 PolarHBondContact O-ND2 3.31Å; K60-N75 WeakPolarHBondContact CA-OD1 3.29Å; Y61-N75 HydrophobicContact CD1-CB 4.33Å; Y61-N75 WeakPolarHBondContact CD1-ND2 3.32Å; Y61-N75 HydrophobicContact CE1-CB 3.97Å; Y61-N75 PolarHBondContact N-OD1 2.96Å; Y61-N75 PolarHBondContact O-N 2.92Å; Y61-N75 PolarHBondContact O-OD1 3.27Å; N75-F77 PolarHBondContact O-N 3.18Å; N75-F77 VanDerWaalsContact O-N 3.15Å; N75-R78 WeakPolarHBondContact O-CB 3.47Å; N75-R78 PolarHBondContact O-N 2.94Å
76	Y	89.8	Confident	89.1	Confident	91 Å²	91	83.7 Å²	83.7	36%	0.357	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.5	-178.2	-87.9	-97.2	0	0	0	113.7	K60 Y61 S62 S74 R78	K60-Y76 HydrophobicContact CB-CD2 4.24Å; K60-Y76 HydrophobicContact CB-CE1 4.14Å; K60-Y76 HydrophobicContact CB-CE2 3.78Å; K60-Y76 HydrophobicContact CD-CD1 4.02Å; K60-Y76 HydrophobicContact CD-CE1 3.8Å; Y61-Y76 WeakPolarHBondContact O-CD2 3.46Å; S62-Y76 WeakPolarHBondContact OG-CD2 3.48Å; S74-Y76 PolarHBondContact OG-N 3.39Å; Y76-R78 PolarHBondContact O-N 3.14Å
77	F	86.2	Confident	88.9	Confident	159 Å²	159	83.7 Å²	83.7	70%	0.697	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.9	175.7	64.9	-102.9	0	0	0	113.2	S74 N75	S74-F77 WeakPolarHBondContact O-CD1 3.28Å; S74-F77 WeakPolarHBondContact O-CE1 3.4Å; N75-F77 PolarHBondContact O-N 3.18Å; N75-F77 VanDerWaalsContact O-N 3.15Å
78	R	82.3	Confident	88.9	Confident	122 Å²	122	83.2 Å²	83.2	46%	0.46	40%	0.396	S	S	.	.			trans	-80.5	123.5	178.6	-62.6	-171.5	179.8	179.7	2.1	110	N75 Y76 T80	N75-R78 WeakPolarHBondContact O-CB 3.47Å; N75-R78 PolarHBondContact O-N 2.94Å; Y76-R78 PolarHBondContact O-N 3.14Å; R78-T80 PolarHBondContact O-N 2.91Å
79	K	79.3	Confident	88.9	Confident	210 Å²	210	80.7 Å²	80.7	91%	0.913	39%	0.385	S	S	*	.	S	Bend	trans	-56.6	-37.1	173.9	-67.4	-174.1	179.4	-178.4	0	112
80	T	77.6	Confident	89.1	Confident	72 Å²	72	73.2 Å²	73.2	44%	0.442	35%	0.345	S	S	.	.	S	Bend	trans	-127.3	112.6	-178.8	58.1	0	0	0	0	108.9	R78	R78-T80 PolarHBondContact O-N 2.91Å
81	P	81.9	Confident	88.9	Confident	10 Å²	10	68.9 Å²	68.9	7%	0.065	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-61.8	146.4	177.1	-20.7	32.6	0	0	0	110	L58 K60 L140 Y180	L58-P81 HydrophobicContact CD1-CB 3.68Å; L58-P81 HydrophobicContact CD1-CG 4.5Å; L58-P81 WeakPolarHBondContact CD1-O 3.28Å; L58-P81 HydrophobicContact CG-CB 4.13Å; K60-P81 HydrophobicContact CG-CG 3.99Å; P81-L140 HydrophobicContact CB-CD1 4.46Å; P81-L140 HydrophobicContact CG-CD1 3.73Å; P81-Y180 PolarHBondContact O-OH 3.22Å
82	R	84.9	Confident	88.8	Confident	137 Å²	137	67.3 Å²	67.3	52%	0.517	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-80.7	140.7	175.1	178.5	176.7	167.4	-151.5	-13.4	108	M84 D89	R82-M84 HydrophobicContact CG-CG 4.43Å; R82-M84 PolarHBondContact O-N 3.04Å; R82-D89 IonicContact CZ-OD1 3.62Å; R82-D89 IonicContact NH1-OD1 2.72Å; R82-D89 IonicContact NH2-OD1 2.79Å; R82-D89 PolarHBondContact NH2-OD1 3.19Å; R82-D89 IonicContact NH2-OD2 3.85Å; R82-D89 PolarHBondContact NH2-OD2 3.18Å
83	L	89.4	Confident	88.8	Confident	30 Å²	30	73.7 Å²	73.7	16%	0.157	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.2	168.8	-168.5	70.6	0	0	0	108	L58 L143 F177 Y180	L58-L83 HydrophobicContact CB-CD1 4.12Å; L83-L143 HydrophobicContact CD2-CD1 4.14Å; L83-F177 HydrophobicContact CD2-CD1 3.53Å; L83-F177 HydrophobicContact CD2-CE1 3.21Å; L83-F177 HydrophobicContact CD2-CZ 4.3Å; L83-F177 HydrophobicContact CG-CE1 4.47Å; L83-Y180 HydrophobicContact CB-CE1 4.09Å; L83-Y180 HydrophobicContact CD2-CD1 4.35Å
84	M	91.7	Very high	89	Confident	33 Å²	33	70.8 Å²	70.8	16%	0.163	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.8	-171	-66.1	174.6	71.2	0	0	110.1	S56 V57 V59 R82 D89 I90	S56-M84 CarbonylContact C-O 3.51Å; S56-M84 WeakPolarHBondContact CA-O 3.16Å; V57-M84 HydrophobicContact CG2-CB 4.5Å; V57-M84 WeakPolarHBondContact CG2-O 3.28Å; V57-M84 PolarHBondContact N-O 3.45Å; V57-M84 PolarHBondContact O-N 2.85Å; V59-M84 HydrophobicContact CG2-SD 4.46Å; R82-M84 HydrophobicContact CG-CG 4.43Å; R82-M84 PolarHBondContact O-N 3.04Å; M84-D89 HydrophobicContact CB-CB 3.88Å; M84-D89 HydrophobicContact CE-CB 4.22Å; M84-D89 WeakPolarHBondContact CE-O 3.4Å; M84-D89 HydrophobicContact CG-CB 4.32Å; M84-I90 HydrophobicContact CB-CD1 4.07Å; M84-I90 HydrophobicContact CB-CG1 4.07Å; M84-I90 HydrophobicContact CE-CG1 3.63Å; M84-I90 HydrophobicContact SD-CG1 4.47Å
85	K	92.4	Very high	89.2	Confident	20 Å²	20	70.2 Å²	70.2	9%	0.087	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.2	178.1	179.6	65.3	179.1	-168.4	0	110.9	D54 E88 D89 S145 D149	D54-K85 WeakPolarHBondContact O-CD 3.18Å; D54-K85 VanDerWaalsContact O-CE 3.23Å; D54-K85 WeakPolarHBondContact O-CE 3.46Å; D54-K85 PolarHBondContact O-NZ 3.3Å; K85-E88 HydrophobicContact CB-CB 4.14Å; K85-E88 HydrophobicContact CG-CB 3.9Å; K85-E88 HydrophobicContact CG-CG 3.99Å; K85-E88 PolarHBondContact O-N 3.31Å; K85-D89 PolarHBondContact N-OD2 2.97Å; K85-D89 PolarHBondContact O-N 3.15Å; K85-S145 PolarHBondContact NZ-OG 2.96Å; K85-D149 IonicContact NZ-OD2 2.75Å; K85-D149 PolarHBondContact NZ-OD2 3.15Å
86	L	92.9	Very high	89.3	Confident	2 Å²	2	72 Å²	72	1%	0.01	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	142.3	168.9	-68.4	173	0	0	0	110	V51 A55 V57 E88 I90 E96 L99 L100	V51-L86 HydrophobicContact CG1-CD1 3.57Å; A55-L86 HydrophobicContact CB-CD1 4.37Å; A55-L86 PolarHBondContact O-N 3.48Å; V57-L86 HydrophobicContact CG1-CD1 3.9Å; V57-L86 HydrophobicContact CG1-CD2 4.47Å; V57-L86 HydrophobicContact CG1-CG 4.04Å; V57-L86 HydrophobicContact CG2-CD2 4.29Å; V57-L86 HydrophobicContact CG2-CG 4.36Å; L86-E88 PolarHBondContact O-N 3.11Å; L86-I90 HydrophobicContact CD2-CD1 3.61Å; L86-I90 HydrophobicContact CG-CD1 4.49Å; L86-E96 HydrophobicContact CD2-CG 4.26Å; L86-L99 HydrophobicContact CD2-CB 4.18Å; L86-L99 HydrophobicContact CD2-CD1 3.97Å; L86-L100 HydrophobicContact CD1-CD2 3.99Å
87	G	88.1	Confident	89.6	Confident	51 Å²	51	71.1 Å²	71.1	53%	0.526	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	-11	-173.8	0	0	0	0	0	116	E96	G87-E96 VanDerWaalsContact CA-OE1 3.32Å; G87-E96 WeakPolarHBondContact CA-OE1 3.36Å; G87-E96 PolarHBondContact N-OE1 3.47Å
88	E	89.3	Confident	90.2	Very high	140 Å²	140	63.6 Å²	63.6	65%	0.654	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	-58.7	-178.4	-66.6	178.8	-153.7	0	0	113.2	K85 L86	K85-E88 HydrophobicContact CB-CB 4.14Å; K85-E88 HydrophobicContact CG-CB 3.9Å; K85-E88 HydrophobicContact CG-CG 3.99Å; K85-E88 PolarHBondContact O-N 3.31Å; L86-E88 PolarHBondContact O-N 3.11Å
89	D	91.1	Very high	90.9	Very high	56 Å²	56	57.8 Å²	57.8	30%	0.299	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-21	-175.8	-74.1	-54.7	0	0	0	112.7	R82 M84 K85	R82-D89 IonicContact CZ-OD1 3.62Å; R82-D89 IonicContact NH1-OD1 2.72Å; R82-D89 IonicContact NH2-OD1 2.79Å; R82-D89 PolarHBondContact NH2-OD1 3.19Å; R82-D89 IonicContact NH2-OD2 3.85Å; R82-D89 PolarHBondContact NH2-OD2 3.18Å; M84-D89 HydrophobicContact CB-CB 3.88Å; M84-D89 HydrophobicContact CE-CB 4.22Å; M84-D89 WeakPolarHBondContact CE-O 3.4Å; M84-D89 HydrophobicContact CG-CB 4.32Å; K85-D89 PolarHBondContact N-OD2 2.97Å; K85-D89 PolarHBondContact O-N 3.15Å
90	I	90.6	Very high	91.7	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	26%	0.257	C	S	.	.			trans	-106.2	104.1	-179.8	-63.7	167.5	0	0	0	107.7	V57 M84 L86 M95 E96 L99	V57-I90 HydrophobicContact CG2-CD1 3.43Å; V57-I90 VanDerWaalsContact CG2-CD1 3.43Å; M84-I90 HydrophobicContact CB-CD1 4.07Å; M84-I90 HydrophobicContact CB-CG1 4.07Å; M84-I90 HydrophobicContact CE-CG1 3.63Å; M84-I90 HydrophobicContact SD-CG1 4.47Å; L86-I90 HydrophobicContact CD2-CD1 3.61Å; L86-I90 HydrophobicContact CG-CD1 4.49Å; I90-M95 HydrophobicContact CG2-CB 4.18Å; I90-M95 HydrophobicContact CG2-CG 4.01Å; I90-M95 HydrophobicContact CG2-SD 4.17Å; I90-E96 HydrophobicContact CG2-CB 4.38Å; I90-L99 HydrophobicContact CD1-CD1 3.59Å
91	T	87.3	Confident	92.7	Very high	118 Å²	118	48.2 Å²	48.2	72%	0.724	25%	0.245	S	C	*	.			trans	-98.6	-14.5	-171.6	56	0	0	0	0	113.9	W93	T91-W93 PolarHBondContact O-N 3.45Å
92	L	94.3	Very high	93.5	Very high	20 Å²	20	47.8 Å²	47.8	11%	0.105	24%	0.242	C	C	.	.			trans	-80.1	109.5	177.4	-165.7	71.5	0	0	0	109.3	G94 M95 E96 F112 A117 Y118 F135	L92-G94 VanDerWaalsContact C-N 3.33Å; L92-G94 PolarHBondContact O-N 3.38Å; L92-M95 HydrophobicContact CB-CB 3.99Å; L92-M95 HydrophobicContact CD2-CB 4.2Å; L92-M95 HydrophobicContact CG-CB 4.4Å; L92-M95 WeakPolarHBondContact O-CA 3.46Å; L92-M95 WeakPolarHBondContact O-CB 3.21Å; L92-M95 PolarHBondContact O-N 3.49Å; L92-E96 PolarHBondContact O-N 3.49Å; L92-F112 HydrophobicContact CD2-CD2 3.92Å; L92-F112 HydrophobicContact CD2-CE2 4.08Å; L92-A117 HydrophobicContact CD1-CB 4.4Å; L92-Y118 HydrophobicContact CD1-CE1 4.25Å; L92-Y118 HydrophobicContact CD1-CE2 4.23Å; L92-F135 HydrophobicContact CD2-CD2 4.41Å; L92-F135 HydrophobicContact CD2-CE2 3.67Å; L92-F135 HydrophobicContact CD2-CZ 3.76Å
93	W	95	Very high	94.1	Very high	176 Å²	176	46 Å²	46	67%	0.667	24%	0.235	S	C	*	.	H	α-helix	trans	-56.8	-42.5	-172.5	-72.8	11.8	0	0	0	113.6	T91 M95 E96 L97	T91-W93 PolarHBondContact O-N 3.45Å; W93-M95 VanDerWaalsContact C-N 3.26Å; W93-M95 PolarHBondContact O-N 3.37Å; W93-E96 PolarHBondContact O-N 3.18Å; W93-L97 PolarHBondContact O-N 3.39Å
94	G	97.1	Very high	94.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-36.5	176.1	0	0	0	0	0	112.6	L92 G98 F112 Y116	L92-G94 VanDerWaalsContact C-N 3.33Å; L92-G94 PolarHBondContact O-N 3.38Å; G94-G98 PolarHBondContact O-N 3.01Å; G94-F112 VanDerWaalsContact C-CZ 3.42Å; G94-F112 WeakPolarHBondContact O-CE1 3.42Å; G94-F112 WeakPolarHBondContact O-CZ 3.43Å; G94-Y116 WeakPolarHBondContact CA-O 3.44Å; G94-Y116 PolarHBondContact N-O 3.33Å
95	M	97.4	Very high	94.7	Very high	10 Å²	10	50 Å²	50	5%	0.049	25%	0.254	C	S	.	.	H	α-helix	trans	-70	-41	177.3	-174.3	173.1	-177.3	0	0	111.9	V59 Y61 I90 L92 W93 G98 L99 F112 I137	V59-M95 HydrophobicContact CG2-CE 4.02Å; Y61-M95 HydrophobicContact CD1-CE 3.59Å; Y61-M95 HydrophobicContact CE1-CE 4.07Å; Y61-M95 HydrophobicContact CG-CE 3.94Å; I90-M95 HydrophobicContact CG2-CB 4.18Å; I90-M95 HydrophobicContact CG2-CG 4.01Å; I90-M95 HydrophobicContact CG2-SD 4.17Å; L92-M95 HydrophobicContact CB-CB 3.99Å; L92-M95 HydrophobicContact CD2-CB 4.2Å; L92-M95 HydrophobicContact CG-CB 4.4Å; L92-M95 WeakPolarHBondContact O-CA 3.46Å; L92-M95 WeakPolarHBondContact O-CB 3.21Å; L92-M95 PolarHBondContact O-N 3.49Å; W93-M95 VanDerWaalsContact C-N 3.26Å; W93-M95 PolarHBondContact O-N 3.37Å; M95-G98 PolarHBondContact O-N 3.46Å; M95-L99 HydrophobicContact CE-CD1 4.2Å; M95-L99 HydrophobicContact CG-CD1 3.94Å; M95-L99 HydrophobicContact CG-CG 4.5Å; M95-L99 WeakPolarHBondContact O-CB 3.44Å; M95-L99 WeakPolarHBondContact O-CD1 3.31Å; M95-L99 VanDerWaalsContact O-CG 3.26Å; M95-L99 WeakPolarHBondContact O-CG 3.44Å; M95-L99 PolarHBondContact O-N 2.94Å; M95-F112 HydrophobicContact CB-CE2 4.14Å; M95-F112 HydrophobicContact CB-CZ 4.26Å; M95-I137 HydrophobicContact CE-CD1 4.38Å; M95-I137 HydrophobicContact CG-CD1 3.89Å
96	E	95.9	Very high	95	Very high	50 Å²	50	49.2 Å²	49.2	23%	0.234	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-50.5	175.4	-179.9	168.2	-156.3	0	0	111.6	L86 G87 I90 L92 W93 G98 L99 L100	L86-E96 HydrophobicContact CD2-CG 4.26Å; G87-E96 VanDerWaalsContact CA-OE1 3.32Å; G87-E96 WeakPolarHBondContact CA-OE1 3.36Å; G87-E96 PolarHBondContact N-OE1 3.47Å; I90-E96 HydrophobicContact CG2-CB 4.38Å; L92-E96 PolarHBondContact O-N 3.49Å; W93-E96 PolarHBondContact O-N 3.18Å; E96-G98 VanDerWaalsContact C-N 3.32Å; E96-G98 PolarHBondContact O-N 3.07Å; E96-L99 PolarHBondContact O-N 3.41Å; E96-L100 WeakPolarHBondContact O-CG 3.42Å; E96-L100 PolarHBondContact O-N 3.07Å; E96-L100 VanDerWaalsContact O-N 3.11Å
97	L	96.9	Very high	95.3	Very high	72 Å²	72	50.5 Å²	50.5	38%	0.377	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-41.7	174.9	-70.4	176.2	0	0	0	112.1	V38 W93 L99 L100 S101 Y116	V38-L97 HydrophobicContact CG2-CD1 4.17Å; W93-L97 PolarHBondContact O-N 3.39Å; L97-L99 PolarHBondContact O-N 3.46Å; L97-L100 PolarHBondContact O-N 3.37Å; L97-S101 PolarHBondContact O-N 2.97Å; L97-Y116 HydrophobicContact CD1-CD1 3.77Å; L97-Y116 HydrophobicContact CD1-CE1 3.49Å; L97-Y116 VanDerWaalsContact CD1-CE1 3.49Å
98	G	97.6	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.7	-50.6	175.3	0	0	0	0	0	111.6	G94 M95 E96 L100 S101 M102 F110	G94-G98 PolarHBondContact O-N 3.01Å; M95-G98 PolarHBondContact O-N 3.46Å; E96-G98 VanDerWaalsContact C-N 3.32Å; E96-G98 PolarHBondContact O-N 3.07Å; G98-L100 PolarHBondContact O-N 2.98Å; G98-S101 WeakPolarHBondContact O-CB 3.28Å; G98-S101 PolarHBondContact O-N 2.88Å; G98-S101 VanDerWaalsContact O-N 3.08Å; G98-S101 PolarHBondContact O-OG 2.92Å; G98-M102 WeakPolarHBondContact O-CG 3.45Å; G98-F110 VanDerWaalsContact CA-CE1 3.47Å
99	L	97.8	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-36.8	-178.5	-74.2	164.5	0	0	0	113.4	V51 V57 V59 L86 I90 M95 E96 L97 S101 M102 I137 L139	V51-L99 WeakPolarHBondContact CB-O 3.47Å; V51-L99 VanDerWaalsContact CG2-O 3.28Å; V51-L99 WeakPolarHBondContact CG2-O 3.28Å; V57-L99 HydrophobicContact CG2-CD1 4.23Å; V59-L99 HydrophobicContact CG1-CD1 4.27Å; V59-L99 HydrophobicContact CG1-CD2 3.45Å; V59-L99 VanDerWaalsContact CG1-CD2 3.45Å; L86-L99 HydrophobicContact CD2-CB 4.18Å; L86-L99 HydrophobicContact CD2-CD1 3.97Å; I90-L99 HydrophobicContact CD1-CD1 3.59Å; M95-L99 HydrophobicContact CE-CD1 4.2Å; M95-L99 HydrophobicContact CG-CD1 3.94Å; M95-L99 HydrophobicContact CG-CG 4.5Å; M95-L99 WeakPolarHBondContact O-CB 3.44Å; M95-L99 WeakPolarHBondContact O-CD1 3.31Å; M95-L99 VanDerWaalsContact O-CG 3.26Å; M95-L99 WeakPolarHBondContact O-CG 3.44Å; M95-L99 PolarHBondContact O-N 2.94Å; E96-L99 PolarHBondContact O-N 3.41Å; L97-L99 PolarHBondContact O-N 3.46Å; L99-S101 PolarHBondContact O-N 3.22Å; L99-M102 HydrophobicContact CD2-SD 3.95Å; L99-M102 PolarHBondContact O-N 3.4Å; L99-I137 HydrophobicContact CD2-CG2 3.89Å; L99-L139 HydrophobicContact CD2-CD1 4.34Å
100	L	96.9	Very high	96.5	Very high	55 Å²	55	43 Å²	43	29%	0.288	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-24.6	174.1	-70.1	171.2	0	0	0	112.6	L86 E96 L97 G98	L86-L100 HydrophobicContact CD1-CD2 3.99Å; E96-L100 WeakPolarHBondContact O-CG 3.42Å; E96-L100 PolarHBondContact O-N 3.07Å; E96-L100 VanDerWaalsContact O-N 3.11Å; L97-L100 PolarHBondContact O-N 3.37Å; G98-L100 PolarHBondContact O-N 2.98Å
101	S	97.8	Very high	96.9	Very high	27 Å²	27	42.7 Å²	42.7	19%	0.189	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.7	175.8	83.1	0	0	0	0	114.3	K40 L50 L97 G98 L99	K40-S101 WeakPolarHBondContact CD-OG 3.14Å; K40-S101 PolarHBondContact NZ-O 3.45Å; K40-S101 PolarHBondContact NZ-OG 3.29Å; L50-S101 WeakPolarHBondContact CD2-O 3.3Å; L97-S101 PolarHBondContact O-N 2.97Å; G98-S101 WeakPolarHBondContact O-CB 3.28Å; G98-S101 PolarHBondContact O-N 2.88Å; G98-S101 VanDerWaalsContact O-N 3.08Å; G98-S101 PolarHBondContact O-OG 2.92Å; L99-S101 PolarHBondContact O-N 3.22Å
102	M	98.4	Very high	97.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.167	C	C	.	.			trans	-96.8	156.6	-171.4	-65.4	-177.3	75.2	0	0	113.2	L50 V51 G98 L99 E106 A108 F110 I137 L139	L50-M102 WeakPolarHBondContact CA-O 3.47Å; V51-M102 PolarHBondContact N-O 3.31Å; G98-M102 WeakPolarHBondContact O-CG 3.45Å; L99-M102 HydrophobicContact CD2-SD 3.95Å; L99-M102 PolarHBondContact O-N 3.4Å; M102-E106 VanDerWaalsContact CA-OE2 3.27Å; M102-E106 WeakPolarHBondContact CA-OE2 3.44Å; M102-E106 HydrophobicContact CE-CB 3.81Å; M102-E106 HydrophobicContact CE-CG 3.95Å; M102-E106 VanDerWaalsContact CE-O 3.27Å; M102-E106 WeakPolarHBondContact CE-O 3.44Å; M102-E106 WeakPolarHBondContact CG-OE1 3.35Å; M102-A108 HydrophobicContact CE-CB 4.16Å; M102-F110 HydrophobicContact CG-CZ 3.93Å; M102-F110 HydrophobicContact SD-CE2 3.84Å; M102-F110 HydrophobicContact SD-CZ 3.83Å; M102-I137 HydrophobicContact CE-CG2 4.47Å; M102-I137 WeakPolarHBondContact CE-O 3.34Å; M102-I137 HydrophobicContact SD-CB 4.39Å; M102-I137 HydrophobicContact SD-CG2 4.04Å; M102-L139 HydrophobicContact CB-CB 4.32Å; M102-L139 HydrophobicContact CB-CD2 3.65Å; M102-L139 HydrophobicContact CE-CB 3.72Å; M102-L139 HydrophobicContact SD-CB 4.21Å
103	R	97.9	Very high	97.6	Very high	101 Å²	101	39.2 Å²	39.2	38%	0.381	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	159.7	169.8	-62.3	180	-172.3	-93.5	-0.5	111.4	G48 L50 G105 E106 L139	G48-R103 WeakPolarHBondContact O-CD 3.3Å; G48-R103 PolarHBondContact O-NH1 3.43Å; L50-R103 HydrophobicContact CD2-CG 4Å; R103-G105 PolarHBondContact O-N 3.13Å; R103-E106 PolarHBondContact N-OE2 3.39Å; R103-E106 WeakPolarHBondContact O-CB 3.27Å; R103-E106 PolarHBondContact O-N 3.49Å; R103-L139 WeakPolarHBondContact O-CD2 3.44Å
104	R	96.6	Very high	97.7	Very high	120 Å²	120	31.9 Å²	31.9	45%	0.453	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	129.9	179.4	-175.6	-179.4	-62.8	170.6	-3.8	111.1	G46 A47 E106 D141 F142	G46-R104 CarbonylContact C-O 3.53Å; G46-R104 WeakPolarHBondContact CA-O 3.48Å; A47-R104 PolarHBondContact N-O 2.95Å; A47-R104 PolarHBondContact O-N 2.99Å; R104-E106 VanDerWaalsContact C-N 3.31Å; R104-D141 IonicContact CZ-OD1 2.85Å; R104-D141 IonicContact NE-OD1 3.81Å; R104-D141 PolarHBondContact NE-OD1 2.79Å; R104-D141 IonicContact NH2-OD1 3.12Å; R104-D141 PolarHBondContact NH2-OD1 3.35Å; R104-F142 HydrophobicContact CB-CD1 4.46Å; R104-F142 HydrophobicContact CB-CE1 4.18Å; R104-F142 PolarHBondContact NH2-O 3.02Å
105	G	97.1	Very high	97.7	Very high	25 Å²	25	37.9 Å²	37.9	26%	0.258	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-6.1	-179.1	0	0	0	0	0	114.9	R44 R103 L139	R44-G105 PolarHBondContact NE-O 3.24Å; R44-G105 PolarHBondContact NH2-O 2.88Å; R103-G105 PolarHBondContact O-N 3.13Å; G105-L139 CarbonylContact C-O 3.59Å; G105-L139 WeakPolarHBondContact CA-O 3.37Å; G105-L139 PolarHBondContact N-O 3.24Å
106	E	98.6	Very high	97.7	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.019	19%	0.189	C	C	.	.			trans	-66.7	139.7	-178	-168.9	-176.7	131.9	0	0	111.5	K40 V42 R44 M102 R103 R104 E138 L139	K40-E106 WeakPolarHBondContact CE-OE1 3.38Å; K40-E106 IonicContact NZ-OE1 2.7Å; K40-E106 PolarHBondContact NZ-OE1 2.96Å; K40-E106 IonicContact NZ-OE2 3.6Å; V42-E106 HydrophobicContact CG1-CG 4.2Å; R44-E106 CarbonylContact O-C 3.4Å; R44-E106 VanDerWaalsContact O-CA 3.3Å; R44-E106 WeakPolarHBondContact O-CA 3.2Å; R44-E106 VanDerWaalsContact O-CG 3.31Å; R44-E106 WeakPolarHBondContact O-CG 3.35Å; M102-E106 VanDerWaalsContact CA-OE2 3.27Å; M102-E106 WeakPolarHBondContact CA-OE2 3.44Å; M102-E106 HydrophobicContact CE-CB 3.81Å; M102-E106 HydrophobicContact CE-CG 3.95Å; M102-E106 VanDerWaalsContact CE-O 3.27Å; M102-E106 WeakPolarHBondContact CE-O 3.44Å; M102-E106 WeakPolarHBondContact CG-OE1 3.35Å; R103-E106 PolarHBondContact N-OE2 3.39Å; R103-E106 WeakPolarHBondContact O-CB 3.27Å; R103-E106 PolarHBondContact O-N 3.49Å; R104-E106 VanDerWaalsContact C-N 3.31Å; E106-E138 CarbonylContact O-C 3.57Å; E106-E138 WeakPolarHBondContact O-CA 3.25Å; E106-L139 PolarHBondContact O-N 3.4Å
107	L	98.6	Very high	97.7	Very high	30 Å²	30	38.1 Å²	38.1	16%	0.157	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.3	167	174.3	67.5	0	0	0	107.6	I43 R44 I137 E138	I43-L107 WeakPolarHBondContact CA-O 3.43Å; I43-L107 HydrophobicContact CB-CD2 4.2Å; I43-L107 HydrophobicContact CB-CG 4.09Å; I43-L107 WeakPolarHBondContact CB-O 3.49Å; I43-L107 HydrophobicContact CD1-CD2 4.29Å; I43-L107 HydrophobicContact CD1-CG 4.04Å; I43-L107 HydrophobicContact CG2-CD2 3.98Å; I43-L107 HydrophobicContact CG2-CG 4.43Å; I43-L107 PolarHBondContact N-O 3.29Å; R44-L107 HydrophobicContact CB-CB 3.94Å; R44-L107 PolarHBondContact N-O 3.05Å; R44-L107 PolarHBondContact O-N 2.88Å; L107-I137 WeakPolarHBondContact CA-O 3.45Å; L107-E138 HydrophobicContact CD1-CB 3.84Å; L107-E138 HydrophobicContact CD1-CG 4.42Å
108	A	98.6	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.9	-178.3	0	0	0	0	0	111.6	K40 D41 M102 F110 I137	K40-A108 HydrophobicContact CG-CB 4.41Å; D41-A108 CarbonylContact O-C 3.43Å; D41-A108 VanDerWaalsContact O-CA 3.28Å; D41-A108 WeakPolarHBondContact O-CA 3.38Å; D41-A108 WeakPolarHBondContact O-CB 3.49Å; M102-A108 HydrophobicContact CE-CB 4.16Å; A108-F110 HydrophobicContact CB-CD2 4.37Å; A108-F110 HydrophobicContact CB-CE2 3.58Å; A108-F110 HydrophobicContact CB-CZ 3.84Å; A108-I137 PolarHBondContact N-O 2.95Å; A108-I137 PolarHBondContact O-N 2.98Å
109	R	98.3	Very high	97.5	Very high	88 Å²	88	38.5 Å²	38.5	33%	0.332	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141	167.9	-89.5	166	-171.7	157.7	5.9	109.5	M29 K40 D41 I43 L134 F135 E136	M29-R109 HydrophobicContact CE-CB 4.41Å; M29-R109 WeakPolarHBondContact CE-O 3.42Å; K40-R109 CarbonylContact C-O 3.57Å; K40-R109 WeakPolarHBondContact CA-O 3.4Å; D41-R109 HydrophobicContact CB-CB 4.16Å; D41-R109 PolarHBondContact N-O 3.34Å; D41-R109 PolarHBondContact O-N 3.45Å; I43-R109 HydrophobicContact CD1-CB 4.42Å; I43-R109 HydrophobicContact CD1-CG 3.7Å; I43-R109 HydrophobicContact CG1-CG 4.42Å; R109-L134 HydrophobicContact CG-CD2 4.45Å; R109-F135 CarbonylContact C-O 3.49Å; R109-F135 WeakPolarHBondContact CA-O 3.43Å; R109-E136 HydrophobicContact CG-CG 3.69Å; R109-E136 IonicContact CZ-OE1 3.22Å; R109-E136 IonicContact NE-OE1 2.94Å; R109-E136 PolarHBondContact NE-OE1 3.47Å; R109-E136 IonicContact NH2-OE1 3.39Å; R109-E136 PolarHBondContact NH2-OE1 3.34Å
110	F	98.6	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138	176	-61.8	-92.1	0	0	0	111	I32 V38 L39 K40 G98 M102 A108 F112 L134 F135 I137	I32-F110 HydrophobicContact CD1-CD1 4.39Å; I32-F110 HydrophobicContact CD1-CE1 4.03Å; V38-F110 HydrophobicContact CG1-CD1 4.43Å; L39-F110 CarbonylContact O-C 3.44Å; L39-F110 WeakPolarHBondContact O-CA 3.08Å; K40-F110 HydrophobicContact CB-CD1 3.91Å; K40-F110 HydrophobicContact CB-CE1 3.77Å; K40-F110 HydrophobicContact CD-CE1 3.67Å; K40-F110 HydrophobicContact CD-CZ 4.01Å; K40-F110 HydrophobicContact CG-CD1 4.04Å; K40-F110 HydrophobicContact CG-CE1 3.5Å; K40-F110 VanDerWaalsContact CG-CE1 3.5Å; K40-F110 HydrophobicContact CG-CZ 3.95Å; G98-F110 VanDerWaalsContact CA-CE1 3.47Å; M102-F110 HydrophobicContact CG-CZ 3.93Å; M102-F110 HydrophobicContact SD-CE2 3.84Å; M102-F110 HydrophobicContact SD-CZ 3.83Å; A108-F110 HydrophobicContact CB-CD2 4.37Å; A108-F110 HydrophobicContact CB-CE2 3.58Å; A108-F110 HydrophobicContact CB-CZ 3.84Å; F110-F112 HydrophobicContact CB-CD1 4.02Å; F110-F112 HydrophobicContact CB-CE1 3.27Å; F110-F112 HydrophobicContact CB-CE2 4.36Å; F110-F112 HydrophobicContact CB-CZ 3.47Å; F110-F112 VanDerWaalsContact CB-CZ 3.47Å; F110-F112 HydrophobicContact CD1-CE1 4.09Å; F110-F112 AromaticContact CG-CE1 3.86Å; F110-F112 HydrophobicContact CG-CE1 3.86Å; F110-F112 AromaticContact CG-CZ 3.97Å; F110-F112 HydrophobicContact CG-CZ 3.97Å; F110-L134 CarbonylContact O-C 3.57Å; F110-L134 VanDerWaalsContact O-CA 3.26Å; F110-L134 WeakPolarHBondContact O-CA 3.42Å; F110-F135 PolarHBondContact N-O 2.97Å; F110-F135 PolarHBondContact O-N 3.47Å; F110-I137 HydrophobicContact CD2-CB 4.28Å; F110-I137 HydrophobicContact CD2-CD1 3.75Å; F110-I137 HydrophobicContact CD2-CG1 4.01Å; F110-I137 HydrophobicContact CE2-CB 4.08Å; F110-I137 HydrophobicContact CE2-CD1 4.02Å; F110-I137 HydrophobicContact CE2-CG1 4.27Å
111	L	98.4	Very high	97.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.5	163.1	-72.2	175.1	0	0	0	108.2	Y22 L25 M29 L39 T132 L134	Y22-L111 HydrophobicContact CD1-CD2 4.16Å; Y22-L111 HydrophobicContact CD2-CD2 3.78Å; Y22-L111 HydrophobicContact CE2-CD2 4.2Å; Y22-L111 HydrophobicContact CG-CD2 3.75Å; Y22-L111 WeakPolarHBondContact O-CD1 3.39Å; L25-L111 HydrophobicContact CB-CD1 4.13Å; M29-L111 HydrophobicContact CE-CB 4.5Å; M29-L111 HydrophobicContact CE-CG 4.21Å; M29-L111 HydrophobicContact SD-CB 4.31Å; M29-L111 HydrophobicContact SD-CD1 3.53Å; M29-L111 VanDerWaalsContact SD-CD1 3.53Å; M29-L111 HydrophobicContact SD-CG 3.72Å; L39-L111 HydrophobicContact CB-CB 4.26Å; L39-L111 PolarHBondContact N-O 3.45Å; L39-L111 PolarHBondContact O-N 3.41Å; L111-T132 HydrophobicContact CB-CG2 4.44Å; L111-T132 HydrophobicContact CD2-CG2 4.24Å; L111-L134 HydrophobicContact CD2-CB 3.8Å; L111-L134 HydrophobicContact CD2-CD1 4Å; L111-L134 HydrophobicContact CD2-CG 4.19Å
112	F	98.3	Very high	97.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	115.1	174.7	-53.3	-37.7	0	0	0	108.9	V38 L92 G94 M95 F110 A117 T132 V133 F135 I137	V38-F112 HydrophobicContact CG1-CD1 3.83Å; V38-F112 HydrophobicContact CG1-CE1 3.76Å; V38-F112 HydrophobicContact CG2-CD1 4.39Å; L92-F112 HydrophobicContact CD2-CD2 3.92Å; L92-F112 HydrophobicContact CD2-CE2 4.08Å; G94-F112 VanDerWaalsContact C-CZ 3.42Å; G94-F112 WeakPolarHBondContact O-CE1 3.42Å; G94-F112 WeakPolarHBondContact O-CZ 3.43Å; M95-F112 HydrophobicContact CB-CE2 4.14Å; M95-F112 HydrophobicContact CB-CZ 4.26Å; F110-F112 HydrophobicContact CB-CD1 4.02Å; F110-F112 HydrophobicContact CB-CE1 3.27Å; F110-F112 HydrophobicContact CB-CE2 4.36Å; F110-F112 HydrophobicContact CB-CZ 3.47Å; F110-F112 VanDerWaalsContact CB-CZ 3.47Å; F110-F112 HydrophobicContact CD1-CE1 4.09Å; F110-F112 AromaticContact CG-CE1 3.86Å; F110-F112 HydrophobicContact CG-CE1 3.86Å; F110-F112 AromaticContact CG-CZ 3.97Å; F110-F112 HydrophobicContact CG-CZ 3.97Å; F112-A117 HydrophobicContact CB-CB 3.98Å; F112-T132 WeakPolarHBondContact O-CA 3.38Å; F112-T132 WeakPolarHBondContact O-CG2 3.39Å; F112-V133 HydrophobicContact CB-CG2 3.92Å; F112-V133 HydrophobicContact CD2-CG2 4.13Å; F112-V133 PolarHBondContact N-O 3.29Å; F112-V133 PolarHBondContact O-N 3.11Å; F112-V133 VanDerWaalsContact O-N 3.07Å; F112-F135 HydrophobicContact CD2-CB 4.47Å; F112-F135 AromaticContact CD2-CD2 3.46Å; F112-F135 HydrophobicContact CD2-CD2 3.46Å; F112-F135 VanDerWaalsContact CD2-CD2 3.46Å; F112-F135 AromaticContact CD2-CE2 3.97Å; F112-F135 HydrophobicContact CD2-CE2 3.97Å; F112-F135 HydrophobicContact CD2-CG 4.21Å; F112-F135 HydrophobicContact CE2-CB 3.75Å; F112-F135 AromaticContact CE2-CD2 3.4Å; F112-F135 HydrophobicContact CE2-CD2 3.4Å; F112-F135 VanDerWaalsContact CE2-CD2 3.4Å; F112-F135 HydrophobicContact CE2-CE2 4.12Å; F112-F135 AromaticContact CE2-CG 3.67Å; F112-F135 HydrophobicContact CE2-CG 3.67Å; F112-F135 HydrophobicContact CZ-CB 4.24Å; F112-I137 HydrophobicContact CZ-CD1 4.22Å
113	K	97.7	Very high	96.9	Very high	65 Å²	65	49 Å²	49	28%	0.283	25%	0.252	S	S	.	.			trans	-64.7	160.1	170.5	-67.1	-59.6	-174.9	-179.2	0	110.3	R36 G37 N115 Y116 A117 T132	R36-K113 WeakPolarHBondContact O-CG 3.42Å; G37-K113 WeakPolarHBondContact O-CB 3.48Å; G37-K113 PolarHBondContact O-N 3.16Å; K113-N115 VanDerWaalsContact C-N 3.25Å; K113-N115 PolarHBondContact O-N 2.87Å; K113-N115 VanDerWaalsContact O-N 3.09Å; K113-Y116 CarbonylContact O-C 3.59Å; K113-Y116 WeakPolarHBondContact O-CA 3.4Å; K113-Y116 PolarHBondContact O-N 3.07Å; K113-A117 PolarHBondContact O-N 3.18Å; K113-T132 HydrophobicContact CD-CG2 4.16Å; K113-T132 WeakPolarHBondContact CD-OG1 3.44Å
114	P	97.3	Very high	96.4	Very high	21 Å²	21	48.9 Å²	48.9	14%	0.136	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-52.8	-40.6	-171.4	-28.5	35.3	0	0	0	114.1	Y116 A117 Y118 G119 N130	P114-Y116 PolarHBondContact O-N 3.1Å; P114-A117 CarbonylContact O-C 3.59Å; P114-A117 PolarHBondContact O-N 2.88Å; P114-Y118 PolarHBondContact O-N 2.92Å; P114-G119 VanDerWaalsContact O-CA 3.22Å; P114-G119 WeakPolarHBondContact O-CA 3.32Å; P114-G119 PolarHBondContact O-N 3.42Å; P114-N130 HydrophobicContact CG-CB 4.41Å; P114-N130 VanDerWaalsContact CG-O 3.24Å; P114-N130 WeakPolarHBondContact CG-O 3.3Å
115	N	96.4	Very high	96.2	Very high	126 Å²	126	49.4 Å²	49.4	67%	0.674	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-64.1	-20.6	179.7	-64.9	-10.9	0	0	0	114.1	K113	K113-N115 VanDerWaalsContact C-N 3.25Å; K113-N115 PolarHBondContact O-N 2.87Å; K113-N115 VanDerWaalsContact O-N 3.09Å
116	Y	97.5	Very high	95.9	Very high	45 Å²	45	53.4 Å²	53.4	18%	0.176	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-104.9	3.2	175.4	-70.1	-85.6	0	0	0	112.6	D35 V38 G94 L97 K113 P114	D35-Y116 PolarHBondContact OD1-OH 3.03Å; D35-Y116 WeakPolarHBondContact OD2-CE2 3.32Å; D35-Y116 PolarHBondContact OD2-OH 3.45Å; V38-Y116 HydrophobicContact CG2-CD1 3.55Å; V38-Y116 HydrophobicContact CG2-CD2 4.13Å; V38-Y116 HydrophobicContact CG2-CE1 4.1Å; V38-Y116 HydrophobicContact CG2-CG 3.56Å; G94-Y116 WeakPolarHBondContact CA-O 3.44Å; G94-Y116 PolarHBondContact N-O 3.33Å; L97-Y116 HydrophobicContact CD1-CD1 3.77Å; L97-Y116 HydrophobicContact CD1-CE1 3.49Å; L97-Y116 VanDerWaalsContact CD1-CE1 3.49Å; K113-Y116 CarbonylContact O-C 3.59Å; K113-Y116 WeakPolarHBondContact O-CA 3.4Å; K113-Y116 PolarHBondContact O-N 3.07Å; P114-Y116 PolarHBondContact O-N 3.1Å
117	A	96.2	Very high	95.7	Very high	21 Å²	21	53.4 Å²	53.4	17%	0.174	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-112.5	-178.5	0	0	0	0	0	111	L92 F112 K113 P114 V133	L92-A117 HydrophobicContact CD1-CB 4.4Å; F112-A117 HydrophobicContact CB-CB 3.98Å; K113-A117 PolarHBondContact O-N 3.18Å; P114-A117 CarbonylContact O-C 3.59Å; P114-A117 PolarHBondContact O-N 2.88Å; A117-V133 HydrophobicContact CB-CG2 3.66Å
118	Y	96.1	Very high	95.5	Very high	62 Å²	62	55.4 Å²	55.4	24%	0.243	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	7.3	-173.3	-57.6	-83.8	0	0	0	113.7	F72 L92 P114 G122 C123 I127 V133	F72-Y118 HydrophobicContact CE2-CE2 4.14Å; F72-Y118 WeakPolarHBondContact CE2-OH 3.29Å; F72-Y118 HydrophobicContact CZ-CE2 4.11Å; L92-Y118 HydrophobicContact CD1-CE1 4.25Å; L92-Y118 HydrophobicContact CD1-CE2 4.23Å; P114-Y118 PolarHBondContact O-N 2.92Å; Y118-G122 WeakPolarHBondContact O-CA 3.11Å; Y118-G122 PolarHBondContact O-N 3.21Å; Y118-C123 HydrophobicContact CD1-CB 3.97Å; Y118-C123 HydrophobicContact CE1-CB 4.41Å; Y118-I127 HydrophobicContact CD1-CD1 3.97Å; Y118-I127 HydrophobicContact CD2-CD1 3.64Å; Y118-I127 HydrophobicContact CD2-CG1 4.4Å; Y118-I127 HydrophobicContact CD2-CG2 3.83Å; Y118-I127 HydrophobicContact CE1-CD1 3.72Å; Y118-I127 HydrophobicContact CE2-CD1 3.37Å; Y118-I127 HydrophobicContact CE2-CG1 4.39Å; Y118-I127 HydrophobicContact CG-CD1 3.93Å; Y118-I127 HydrophobicContact CG-CG2 4.07Å; Y118-I127 VanDerWaalsContact CZ-CD1 3.4Å; Y118-V133 HydrophobicContact CD2-CG1 4.21Å; Y118-V133 HydrophobicContact CE2-CG1 4.23Å; Y118-V133 HydrophobicContact CE2-CG2 4.39Å
119	G	95.4	Very high	95.4	Very high	18 Å²	18	58.9 Å²	58.9	19%	0.186	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	-156.5	171.7	0	0	0	0	0	115.1	P114 L121 N130	P114-G119 VanDerWaalsContact O-CA 3.22Å; P114-G119 WeakPolarHBondContact O-CA 3.32Å; P114-G119 PolarHBondContact O-N 3.42Å; G119-L121 VanDerWaalsContact C-N 3.27Å; G119-L121 PolarHBondContact O-N 3.22Å; G119-N130 PolarHBondContact O-N 3.46Å
120	T	96.2	Very high	95.3	Very high	93 Å²	93	59.4 Å²	59.4	57%	0.571	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.3	-178.9	55.1	0	0	0	0	113.5	P129 N130	T120-P129 WeakPolarHBondContact O-CB 3.31Å; T120-N130 WeakPolarHBondContact CA-OD1 3.17Å; T120-N130 WeakPolarHBondContact CG2-OD1 3.18Å
121	L	94.2	Very high	95.2	Very high	139 Å²	139	60.8 Å²	60.8	73%	0.728	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-26.1	179.6	-63	177.5	0	0	0	112.4	G119	G119-L121 VanDerWaalsContact C-N 3.27Å; G119-L121 PolarHBondContact O-N 3.22Å
122	G	94.1	Very high	95.1	Very high	14 Å²	14	62 Å²	62	14%	0.144	36%	0.361	C	S	.	.			trans	66.8	-153.1	-170.5	0	0	0	0	0	111.7	Y118 I127 P128	Y118-G122 WeakPolarHBondContact O-CA 3.11Å; Y118-G122 PolarHBondContact O-N 3.21Å; G122-I127 CarbonylContact C-O 3.57Å; G122-I127 WeakPolarHBondContact CA-O 3.37Å; G122-P128 WeakPolarHBondContact CA-O 3.49Å
123	C	92.7	Very high	95.1	Very high	55 Å²	55	62 Å²	62	37%	0.372	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-138.7	77.9	171.3	-170.4	0	0	0	0	109.4	Y118 L126 I127	Y118-C123 HydrophobicContact CD1-CB 3.97Å; Y118-C123 HydrophobicContact CE1-CB 4.41Å; C123-L126 PolarHBondContact O-N 2.93Å; C123-I127 CarbonylContact C-O 3.58Å; C123-I127 HydrophobicContact CB-CB 3.98Å; C123-I127 HydrophobicContact CB-CD1 3.82Å; C123-I127 HydrophobicContact CB-CG1 4.41Å; C123-I127 PolarHBondContact N-O 3.22Å; C123-I127 PolarHBondContact O-N 2.88Å
124	P	88.6	Confident	95.1	Very high	100 Å²	100	59.6 Å²	59.6	65%	0.649	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	145.5	-176.6	-24	35.1	0	0	0	112.9	L126	P124-L126 VanDerWaalsContact C-N 3.35Å
125	P	90.8	Very high	95.1	Very high	131 Å²	131	58.7 Å²	58.7	85%	0.851	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.5	0.6	-1.8	35.9	-36.3	0	0	0	113.8
126	L	91.4	Very high	95.2	Very high	109 Å²	109	54.7 Å²	54.7	57%	0.571	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-45.6	-167.9	-68.3	170.5	0	0	0	113	L65 C123 P124	L65-L126 WeakPolarHBondContact CD1-O 3.39Å; C123-L126 PolarHBondContact O-N 2.93Å; P124-L126 VanDerWaalsContact C-N 3.35Å
127	I	94.1	Very high	95.2	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-120.6	119.2	-174.1	-62.3	149.3	0	0	0	108.7	L65 F72 Y118 G122 C123 T131	L65-I127 HydrophobicContact CD2-CG1 4.4Å; L65-I127 HydrophobicContact CD2-CG2 4.44Å; F72-I127 HydrophobicContact CD2-CD1 3.86Å; F72-I127 HydrophobicContact CD2-CG1 4.24Å; F72-I127 HydrophobicContact CE2-CD1 3.79Å; F72-I127 HydrophobicContact CE2-CG1 4.43Å; F72-I127 HydrophobicContact CG-CG1 4.42Å; F72-I127 HydrophobicContact CZ-CD1 4.35Å; Y118-I127 HydrophobicContact CD1-CD1 3.97Å; Y118-I127 HydrophobicContact CD2-CD1 3.64Å; Y118-I127 HydrophobicContact CD2-CG1 4.4Å; Y118-I127 HydrophobicContact CD2-CG2 3.83Å; Y118-I127 HydrophobicContact CE1-CD1 3.72Å; Y118-I127 HydrophobicContact CE2-CD1 3.37Å; Y118-I127 HydrophobicContact CE2-CG1 4.39Å; Y118-I127 HydrophobicContact CG-CD1 3.93Å; Y118-I127 HydrophobicContact CG-CG2 4.07Å; Y118-I127 VanDerWaalsContact CZ-CD1 3.4Å; G122-I127 CarbonylContact C-O 3.57Å; G122-I127 WeakPolarHBondContact CA-O 3.37Å; C123-I127 CarbonylContact C-O 3.58Å; C123-I127 HydrophobicContact CB-CB 3.98Å; C123-I127 HydrophobicContact CB-CD1 3.82Å; C123-I127 HydrophobicContact CB-CG1 4.41Å; C123-I127 PolarHBondContact N-O 3.22Å; C123-I127 PolarHBondContact O-N 2.88Å; I127-T131 HydrophobicContact CG2-CG2 4.42Å
128	P	94.9	Very high	95.3	Very high	71 Å²	71	53 Å²	53	46%	0.461	31%	0.313	S	S	.	.			trans	-65.8	159.9	176.7	-20.8	32.4	0	0	0	113.4	G122 T131	G122-P128 WeakPolarHBondContact CA-O 3.49Å; P128-T131 WeakPolarHBondContact CB-OG1 3.49Å; P128-T131 WeakPolarHBondContact O-CB 3.41Å; P128-T131 PolarHBondContact O-OG1 3.18Å
129	P	96.7	Very high	95.4	Very high	74 Å²	74	50 Å²	50	48%	0.481	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	143.1	163.8	-35.6	41.8	0	0	0	114.1	T120 T131	T120-P129 WeakPolarHBondContact O-CB 3.31Å; P129-T131 PolarHBondContact O-N 2.77Å; P129-T131 PolarHBondContact O-OG1 2.89Å
130	N	96	Very high	95.3	Very high	99 Å²	99	51.7 Å²	51.7	53%	0.529	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	34.4	171.5	-62.2	-50.7	0	0	0	114.7	P114 G119 T120	P114-N130 HydrophobicContact CG-CB 4.41Å; P114-N130 VanDerWaalsContact CG-O 3.24Å; P114-N130 WeakPolarHBondContact CG-O 3.3Å; G119-N130 PolarHBondContact O-N 3.46Å; T120-N130 WeakPolarHBondContact CA-OD1 3.17Å; T120-N130 WeakPolarHBondContact CG2-OD1 3.18Å
131	T	95.8	Very high	95.2	Very high	28 Å²	28	48.4 Å²	48.4	17%	0.172	28%	0.284	C	S	.	.			trans	-91.6	131.5	-175.9	-59.7	0	0	0	0	112.4	L65 I127 P128 P129 V133	L65-T131 HydrophobicContact CD2-CG2 3.57Å; I127-T131 HydrophobicContact CG2-CG2 4.42Å; P128-T131 WeakPolarHBondContact CB-OG1 3.49Å; P128-T131 WeakPolarHBondContact O-CB 3.41Å; P128-T131 PolarHBondContact O-OG1 3.18Å; P129-T131 PolarHBondContact O-N 2.77Å; P129-T131 PolarHBondContact O-OG1 2.89Å; T131-V133 HydrophobicContact CG2-CG1 4.2Å
132	T	97.1	Very high	95.2	Very high	27 Å²	27	42.8 Å²	42.8	17%	0.166	25%	0.254	C	S	.	.			trans	-80.4	131.7	165.1	-60.2	0	0	0	0	108.7	Y22 L111 F112 K113	Y22-T132 HydrophobicContact CD2-CG2 4.17Å; L111-T132 HydrophobicContact CB-CG2 4.44Å; L111-T132 HydrophobicContact CD2-CG2 4.24Å; F112-T132 WeakPolarHBondContact O-CA 3.38Å; F112-T132 WeakPolarHBondContact O-CG2 3.39Å; K113-T132 HydrophobicContact CD-CG2 4.16Å; K113-T132 WeakPolarHBondContact CD-OG1 3.44Å
133	V	97.4	Very high	95	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.2	-179.1	-64.1	0	0	0	0	110.6	L65 F72 F112 A117 Y118 T131 F135	L65-V133 HydrophobicContact CD2-CG1 4.08Å; F72-V133 HydrophobicContact CE1-CB 4.14Å; F72-V133 HydrophobicContact CE1-CG1 3.98Å; F72-V133 HydrophobicContact CZ-CB 4.19Å; F72-V133 HydrophobicContact CZ-CG1 4.07Å; F112-V133 HydrophobicContact CB-CG2 3.92Å; F112-V133 HydrophobicContact CD2-CG2 4.13Å; F112-V133 PolarHBondContact N-O 3.29Å; F112-V133 PolarHBondContact O-N 3.11Å; F112-V133 VanDerWaalsContact O-N 3.07Å; A117-V133 HydrophobicContact CB-CG2 3.66Å; Y118-V133 HydrophobicContact CD2-CG1 4.21Å; Y118-V133 HydrophobicContact CE2-CG1 4.23Å; Y118-V133 HydrophobicContact CE2-CG2 4.39Å; T131-V133 HydrophobicContact CG2-CG1 4.2Å; V133-F135 HydrophobicContact CB-CD2 4.45Å; V133-F135 HydrophobicContact CB-CE2 4.2Å; V133-F135 HydrophobicContact CG2-CD2 3.97Å; V133-F135 HydrophobicContact CG2-CE2 3.68Å
134	L	98	Very high	94.9	Very high	14 Å²	14	42.4 Å²	42.4	7%	0.073	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.3	173.3	-177.2	145.6	0	0	0	109.4	Y22 L25 G63 Y64 R109 F110 L111 E136	Y22-L134 HydrophobicContact CE1-CB 4.01Å; Y22-L134 HydrophobicContact CE1-CD1 3.99Å; Y22-L134 HydrophobicContact CE2-CB 3.99Å; Y22-L134 VanDerWaalsContact OH-CB 3.31Å; Y22-L134 WeakPolarHBondContact OH-CB 3.25Å; L25-L134 HydrophobicContact CD1-CD1 3.97Å; G63-L134 CarbonylContact C-O 3.52Å; G63-L134 VanDerWaalsContact CA-O 3.31Å; G63-L134 WeakPolarHBondContact CA-O 3.29Å; Y64-L134 HydrophobicContact CD2-CD2 3.86Å; Y64-L134 PolarHBondContact N-O 3.1Å; Y64-L134 PolarHBondContact O-N 2.91Å; R109-L134 HydrophobicContact CG-CD2 4.45Å; F110-L134 CarbonylContact O-C 3.57Å; F110-L134 VanDerWaalsContact O-CA 3.26Å; F110-L134 WeakPolarHBondContact O-CA 3.42Å; L111-L134 HydrophobicContact CD2-CB 3.8Å; L111-L134 HydrophobicContact CD2-CD1 4Å; L111-L134 HydrophobicContact CD2-CG 4.19Å; L134-E136 HydrophobicContact CD2-CG 4.03Å
135	F	98.3	Very high	94.8	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.4	171.6	-85.3	-98.8	0	0	0	110.6	Y61 S62 F72 L92 R109 F110 F112 V133 I137	Y61-F135 AromaticContact CD2-CD1 3.88Å; Y61-F135 HydrophobicContact CD2-CD1 3.88Å; Y61-F135 AromaticContact CD2-CE1 3.71Å; Y61-F135 HydrophobicContact CD2-CE1 3.71Å; Y61-F135 AromaticContact CE2-CE1 3.98Å; Y61-F135 HydrophobicContact CE2-CE1 3.98Å; S62-F135 CarbonylContact O-C 3.58Å; S62-F135 WeakPolarHBondContact O-CA 3.47Å; F72-F135 HydrophobicContact CE2-CE2 4.48Å; F72-F135 HydrophobicContact CE2-CZ 4.01Å; F72-F135 AromaticContact CZ-CE2 3.72Å; F72-F135 HydrophobicContact CZ-CE2 3.72Å; F72-F135 AromaticContact CZ-CZ 3.67Å; F72-F135 HydrophobicContact CZ-CZ 3.67Å; L92-F135 HydrophobicContact CD2-CD2 4.41Å; L92-F135 HydrophobicContact CD2-CE2 3.67Å; L92-F135 HydrophobicContact CD2-CZ 3.76Å; R109-F135 CarbonylContact C-O 3.49Å; R109-F135 WeakPolarHBondContact CA-O 3.43Å; F110-F135 PolarHBondContact N-O 2.97Å; F110-F135 PolarHBondContact O-N 3.47Å; F112-F135 HydrophobicContact CD2-CB 4.47Å; F112-F135 AromaticContact CD2-CD2 3.46Å; F112-F135 HydrophobicContact CD2-CD2 3.46Å; F112-F135 VanDerWaalsContact CD2-CD2 3.46Å; F112-F135 AromaticContact CD2-CE2 3.97Å; F112-F135 HydrophobicContact CD2-CE2 3.97Å; F112-F135 HydrophobicContact CD2-CG 4.21Å; F112-F135 HydrophobicContact CE2-CB 3.75Å; F112-F135 AromaticContact CE2-CD2 3.4Å; F112-F135 HydrophobicContact CE2-CD2 3.4Å; F112-F135 VanDerWaalsContact CE2-CD2 3.4Å; F112-F135 HydrophobicContact CE2-CE2 4.12Å; F112-F135 AromaticContact CE2-CG 3.67Å; F112-F135 HydrophobicContact CE2-CG 3.67Å; F112-F135 HydrophobicContact CZ-CB 4.24Å; V133-F135 HydrophobicContact CB-CD2 4.45Å; V133-F135 HydrophobicContact CB-CE2 4.2Å; V133-F135 HydrophobicContact CG2-CD2 3.97Å; V133-F135 HydrophobicContact CG2-CE2 3.68Å; F135-I137 HydrophobicContact CB-CD1 4.13Å; F135-I137 HydrophobicContact CB-CG1 3.97Å
136	E	98.1	Very high	94.6	Very high	43 Å²	43	32.1 Å²	32.1	20%	0.201	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	120.9	161.8	-64.8	-167.1	158.8	0	0	108	Y61 S62 Y64 R109 L134	Y61-E136 CarbonylContact C-O 3.6Å; Y61-E136 WeakPolarHBondContact CA-O 3.48Å; Y61-E136 WeakPolarHBondContact CB-O 3.33Å; S62-E136 PolarHBondContact N-O 3.07Å; S62-E136 PolarHBondContact O-N 3.04Å; Y64-E136 HydrophobicContact CE2-CG 4.31Å; R109-E136 HydrophobicContact CG-CG 3.69Å; R109-E136 IonicContact CZ-OE1 3.22Å; R109-E136 IonicContact NE-OE1 2.94Å; R109-E136 PolarHBondContact NE-OE1 3.47Å; R109-E136 IonicContact NH2-OE1 3.39Å; R109-E136 PolarHBondContact NH2-OE1 3.34Å; L134-E136 HydrophobicContact CD2-CG 4.03Å
137	I	98.2	Very high	94.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.4	-175.4	-53.1	179.6	0	0	0	109.1	K60 M95 L99 M102 L107 A108 F110 F112 F135	K60-I137 CarbonylContact O-C 3.6Å; K60-I137 WeakPolarHBondContact O-CA 3.31Å; M95-I137 HydrophobicContact CE-CD1 4.38Å; M95-I137 HydrophobicContact CG-CD1 3.89Å; L99-I137 HydrophobicContact CD2-CG2 3.89Å; M102-I137 HydrophobicContact CE-CG2 4.47Å; M102-I137 WeakPolarHBondContact CE-O 3.34Å; M102-I137 HydrophobicContact SD-CB 4.39Å; M102-I137 HydrophobicContact SD-CG2 4.04Å; L107-I137 WeakPolarHBondContact CA-O 3.45Å; A108-I137 PolarHBondContact N-O 2.95Å; A108-I137 PolarHBondContact O-N 2.98Å; F110-I137 HydrophobicContact CD2-CB 4.28Å; F110-I137 HydrophobicContact CD2-CD1 3.75Å; F110-I137 HydrophobicContact CD2-CG1 4.01Å; F110-I137 HydrophobicContact CE2-CB 4.08Å; F110-I137 HydrophobicContact CE2-CD1 4.02Å; F110-I137 HydrophobicContact CE2-CG1 4.27Å; F112-I137 HydrophobicContact CZ-CD1 4.22Å; F135-I137 HydrophobicContact CB-CD1 4.13Å; F135-I137 HydrophobicContact CB-CG1 3.97Å
138	E	97.8	Very high	94.2	Very high	30 Å²	30	28 Å²	28	14%	0.14	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.5	170.1	-169	-178.9	-157	0	0	109.1	R44 V59 K60 E106 L107 L140	R44-E138 IonicContact CZ-OE1 2.97Å; R44-E138 IonicContact NH1-OE1 2.77Å; R44-E138 IonicContact NH2-OE1 3.87Å; R44-E138 PolarHBondContact NH2-OE1 3.48Å; V59-E138 CarbonylContact C-O 3.51Å; V59-E138 WeakPolarHBondContact CA-O 3.41Å; K60-E138 HydrophobicContact CB-CB 4.23Å; K60-E138 PolarHBondContact N-O 3.2Å; K60-E138 PolarHBondContact O-N 2.92Å; E106-E138 CarbonylContact O-C 3.57Å; E106-E138 WeakPolarHBondContact O-CA 3.25Å; L107-E138 HydrophobicContact CD1-CB 3.84Å; L107-E138 HydrophobicContact CD1-CG 4.42Å; E138-L140 HydrophobicContact CG-CD2 3.85Å; E138-L140 PolarHBondContact O-N 2.97Å
139	L	97.5	Very high	93.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	102.3	173.2	177.7	61.3	0	0	0	109.1	V51 V57 V59 L99 M102 R103 G105 E106 F142	V51-L139 HydrophobicContact CG2-CD1 4.4Å; V51-L139 HydrophobicContact CG2-CD2 3.26Å; V51-L139 HydrophobicContact CG2-CG 4.47Å; V57-L139 HydrophobicContact CB-CD1 4.14Å; V57-L139 HydrophobicContact CG1-CD1 4.33Å; V59-L139 HydrophobicContact CG1-CD1 3.88Å; L99-L139 HydrophobicContact CD2-CD1 4.34Å; M102-L139 HydrophobicContact CB-CB 4.32Å; M102-L139 HydrophobicContact CB-CD2 3.65Å; M102-L139 HydrophobicContact CE-CB 3.72Å; M102-L139 HydrophobicContact SD-CB 4.21Å; R103-L139 WeakPolarHBondContact O-CD2 3.44Å; G105-L139 CarbonylContact C-O 3.59Å; G105-L139 WeakPolarHBondContact CA-O 3.37Å; G105-L139 PolarHBondContact N-O 3.24Å; E106-L139 PolarHBondContact O-N 3.4Å; L139-F142 HydrophobicContact CD2-CD1 4.28Å
140	L	94.6	Very high	93.6	Very high	52 Å²	52	29.4 Å²	29.4	27%	0.272	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-46.2	-177	-60.5	175.7	0	0	0	112.1	L58 K60 P81 E138	L58-L140 HydrophobicContact CB-CB 4.36Å; L58-L140 HydrophobicContact CD2-CB 3.96Å; L58-L140 HydrophobicContact CD2-CD1 4.13Å; L58-L140 HydrophobicContact CG-CB 4.16Å; L58-L140 HydrophobicContact CG-CD1 4.16Å; L58-L140 WeakPolarHBondContact O-CB 3.43Å; L58-L140 PolarHBondContact O-N 3.06Å; K60-L140 HydrophobicContact CD-CD1 4.23Å; K60-L140 HydrophobicContact CG-CD1 3.98Å; P81-L140 HydrophobicContact CB-CD1 4.46Å; P81-L140 HydrophobicContact CG-CD1 3.73Å; E138-L140 HydrophobicContact CG-CD2 3.85Å; E138-L140 PolarHBondContact O-N 2.97Å
141	D	93.1	Very high	93.3	Very high	24 Å²	24	25.3 Å²	25.3	13%	0.128	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	164.2	-176.8	-151.1	-9.5	0	0	0	109.9	L58 R104 R183	L58-D141 HydrophobicContact CB-CB 4.16Å; L58-D141 WeakPolarHBondContact CB-O 3.47Å; L58-D141 HydrophobicContact CD2-CB 4.27Å; L58-D141 PolarHBondContact N-O 3.09Å; L58-D141 PolarHBondContact O-N 3.38Å; R104-D141 IonicContact CZ-OD1 2.85Å; R104-D141 IonicContact NE-OD1 3.81Å; R104-D141 PolarHBondContact NE-OD1 2.79Å; R104-D141 IonicContact NH2-OD1 3.12Å; R104-D141 PolarHBondContact NH2-OD1 3.35Å; D141-R183 IonicContact OD2-NH1 2.73Å; D141-R183 IonicContact OD2-NH2 3.61Å; D141-R183 PolarHBondContact OD2-NH2 3.37Å
142	F	93.8	Very high	92.9	Very high	22 Å²	22	26.4 Å²	26.4	10%	0.096	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	152.6	169.2	69.1	-89.8	0	0	0	110.9	V51 A55 S56 V57 R104 L139	V51-F142 HydrophobicContact CG1-CD2 4.49Å; V51-F142 HydrophobicContact CG1-CG 4.43Å; V51-F142 HydrophobicContact CG2-CD1 3.86Å; V51-F142 HydrophobicContact CG2-CE1 4.17Å; V51-F142 HydrophobicContact CG2-CG 4.14Å; A55-F142 HydrophobicContact CB-CD2 4.25Å; S56-F142 CarbonylContact O-C 3.6Å; S56-F142 VanDerWaalsContact O-CA 3.3Å; S56-F142 WeakPolarHBondContact O-CA 3.47Å; V57-F142 HydrophobicContact CG1-CB 4Å; R104-F142 HydrophobicContact CB-CD1 4.46Å; R104-F142 HydrophobicContact CB-CE1 4.18Å; R104-F142 PolarHBondContact NH2-O 3.02Å; L139-F142 HydrophobicContact CD2-CD1 4.28Å
143	L	91.2	Very high	92.5	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.068	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.8	176.4	-60.7	179.4	0	0	0	109.2	A55 S56 L83 S145 E176 F177	A55-L143 WeakPolarHBondContact CA-O 3.28Å; S56-L143 PolarHBondContact N-O 3.17Å; S56-L143 PolarHBondContact O-N 3.37Å; L83-L143 HydrophobicContact CD2-CD1 4.14Å; L143-S145 PolarHBondContact O-N 3.31Å; L143-S145 VanDerWaalsContact O-N 3.15Å; L143-E176 HydrophobicContact CD1-CB 4.43Å; L143-E176 HydrophobicContact CD2-CB 3.78Å; L143-F177 HydrophobicContact CB-CZ 4.42Å; L143-F177 HydrophobicContact CD1-CB 4.49Å; L143-F177 HydrophobicContact CD1-CD1 3.73Å; L143-F177 HydrophobicContact CD1-CD2 4.1Å; L143-F177 HydrophobicContact CD1-CE1 3.94Å; L143-F177 HydrophobicContact CD1-CE2 4.24Å; L143-F177 HydrophobicContact CD1-CG 3.82Å; L143-F177 HydrophobicContact CD1-CZ 4.16Å
144	D	88.9	Confident	92.3	Very high	47 Å²	47	31.6 Å²	31.6	25%	0.251	18%	0.176	S	C	.	.			trans	-69.6	107	168.1	175	8.2	0	0	0	108.9	A146 K169 T173	D144-A146 PolarHBondContact OD1-N 3.01Å; D144-A146 VanDerWaalsContact OD1-N 3.11Å; D144-K169 WeakPolarHBondContact OD2-CE 3.44Å; D144-K169 IonicContact OD2-NZ 3.4Å; D144-K169 PolarHBondContact OD2-NZ 3.4Å; D144-T173 WeakPolarHBondContact O-CG2 3.38Å; D144-T173 PolarHBondContact O-OG1 2.76Å
145	S	87.1	Confident	92	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.			trans	-105.3	-1.9	179.9	48.2	0	0	0	0	113.6	D54 S56 K85 L143 E147 S148 D149	D54-S145 PolarHBondContact O-OG 3.23Å; D54-S145 VanDerWaalsContact O-OG 3.12Å; S56-S145 PolarHBondContact OG-OG 3.15Å; K85-S145 PolarHBondContact NZ-OG 2.96Å; L143-S145 PolarHBondContact O-N 3.31Å; L143-S145 VanDerWaalsContact O-N 3.15Å; S145-E147 PolarHBondContact O-N 3.39Å; S145-S148 CarbonylContact O-C 3.58Å; S145-S148 WeakPolarHBondContact O-CA 3.27Å; S145-S148 VanDerWaalsContact O-CB 3.3Å; S145-S148 WeakPolarHBondContact O-CB 3.44Å; S145-S148 PolarHBondContact O-N 3.05Å; S145-D149 WeakPolarHBondContact CB-OD2 3.36Å; S145-D149 PolarHBondContact O-N 3.07Å; S145-D149 VanDerWaalsContact O-OD2 3.08Å; S145-D149 PolarHBondContact OG-OD2 3.29Å
146	A	86.4	Confident	91.5	Very high	16 Å²	16	36 Å²	36	13%	0.132	21%	0.212	C	C	.	.	H	α-helix	trans	-57.4	-47.4	-169.7	0	0	0	0	0	113.3	D144 S148 D149 K150	D144-A146 PolarHBondContact OD1-N 3.01Å; D144-A146 VanDerWaalsContact OD1-N 3.11Å; A146-S148 VanDerWaalsContact C-N 3.32Å; A146-S148 PolarHBondContact O-N 3.04Å; A146-D149 PolarHBondContact O-N 3.38Å; A146-K150 VanDerWaalsContact O-CG 3.29Å; A146-K150 WeakPolarHBondContact O-CG 3.47Å; A146-K150 PolarHBondContact O-N 3.25Å; A146-K150 VanDerWaalsContact O-N 3.09Å
147	E	89.6	Confident	91	Very high	25 Å²	25	39.9 Å²	39.9	12%	0.117	23%	0.23	C	C	.	.	H	α-helix	trans	-70.6	-29.7	177.4	-68.4	-61.2	110.2	0	0	112.5	S145 K150 F151 Y162 K166 K169 V170	S145-E147 PolarHBondContact O-N 3.39Å; E147-K150 WeakPolarHBondContact OE1-CD 3.38Å; E147-K150 IonicContact OE1-NZ 3.17Å; E147-K150 PolarHBondContact OE1-NZ 3.46Å; E147-F151 WeakPolarHBondContact O-CB 3.33Å; E147-F151 PolarHBondContact O-N 3.28Å; E147-Y162 PolarHBondContact OE2-OH 2.76Å; E147-K166 WeakPolarHBondContact OE2-CD 3.41Å; E147-K166 WeakPolarHBondContact OE2-CE 3.36Å; E147-K166 IonicContact OE2-NZ 3.83Å; E147-K166 PolarHBondContact OE2-NZ 3.46Å; E147-K169 HydrophobicContact CB-CD 4.35Å; E147-K169 HydrophobicContact CG-CD 4.08Å; E147-V170 HydrophobicContact CB-CG2 4.44Å
148	S	88.8	Confident	90.7	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-44.5	175	-179.4	0	0	0	0	110.7	S145 A146 F151 C152	S145-S148 CarbonylContact O-C 3.58Å; S145-S148 WeakPolarHBondContact O-CA 3.27Å; S145-S148 VanDerWaalsContact O-CB 3.3Å; S145-S148 WeakPolarHBondContact O-CB 3.44Å; S145-S148 PolarHBondContact O-N 3.05Å; A146-S148 VanDerWaalsContact C-N 3.32Å; A146-S148 PolarHBondContact O-N 3.04Å; S148-F151 WeakPolarHBondContact O-CB 3.44Å; S148-F151 PolarHBondContact O-N 3.37Å; S148-C152 PolarHBondContact O-N 3.42Å; S148-C152 PolarHBondContact O-SG 3.28Å
149	D	87.8	Confident	90.2	Very high	64 Å²	64	45.2 Å²	45.2	34%	0.342	26%	0.255	S	S	.	.	H	α-helix	trans	-70.5	-41.3	-177.4	-58.7	-35.5	0	0	0	111.6	K85 S145 A146 F151 C152 A153	K85-D149 IonicContact NZ-OD2 2.75Å; K85-D149 PolarHBondContact NZ-OD2 3.15Å; S145-D149 WeakPolarHBondContact CB-OD2 3.36Å; S145-D149 PolarHBondContact O-N 3.07Å; S145-D149 VanDerWaalsContact O-OD2 3.08Å; S145-D149 PolarHBondContact OG-OD2 3.29Å; A146-D149 PolarHBondContact O-N 3.38Å; D149-F151 VanDerWaalsContact C-N 3.3Å; D149-F151 PolarHBondContact O-N 3.49Å; D149-C152 PolarHBondContact O-N 2.85Å; D149-C152 VanDerWaalsContact O-N 3.16Å; D149-A153 PolarHBondContact O-N 2.81Å
150	K	89.5	Confident	89.6	Confident	110 Å²	110	50.8 Å²	50.8	48%	0.478	29%	0.285	S	S	.	.	H	α-helix	trans	-53.6	-49.2	168.8	-71.1	173.2	-162.8	169.2	0	110.9	A146 E147 C152 A153 L154	A146-K150 VanDerWaalsContact O-CG 3.29Å; A146-K150 WeakPolarHBondContact O-CG 3.47Å; A146-K150 PolarHBondContact O-N 3.25Å; A146-K150 VanDerWaalsContact O-N 3.09Å; E147-K150 WeakPolarHBondContact OE1-CD 3.38Å; E147-K150 IonicContact OE1-NZ 3.17Å; E147-K150 PolarHBondContact OE1-NZ 3.46Å; K150-C152 VanDerWaalsContact C-N 3.33Å; K150-C152 PolarHBondContact O-N 2.97Å; K150-A153 PolarHBondContact O-N 2.99Å; K150-L154 WeakPolarHBondContact O-CG 3.22Å; K150-L154 PolarHBondContact O-N 3.02Å
151	F	90.2	Very high	89.3	Confident	13 Å²	13	56 Å²	56	6%	0.057	31%	0.308	C	S	.	.	H	α-helix	trans	-61.5	-40.3	179.2	-178.4	-89.8	0	0	0	112.7	E147 S148 D149 A153 L154 Q159 Y162 V167 V170 L200	E147-F151 WeakPolarHBondContact O-CB 3.33Å; E147-F151 PolarHBondContact O-N 3.28Å; S148-F151 WeakPolarHBondContact O-CB 3.44Å; S148-F151 PolarHBondContact O-N 3.37Å; D149-F151 VanDerWaalsContact C-N 3.3Å; D149-F151 PolarHBondContact O-N 3.49Å; F151-A153 VanDerWaalsContact C-N 3.28Å; F151-A153 PolarHBondContact O-N 3.01Å; F151-L154 PolarHBondContact O-N 2.96Å; F151-Q159 HydrophobicContact CD1-CG 4.49Å; F151-Q159 HydrophobicContact CD2-CG 4.21Å; F151-Q159 HydrophobicContact CE1-CG 3.99Å; F151-Q159 HydrophobicContact CE2-CB 3.81Å; F151-Q159 HydrophobicContact CE2-CG 3.72Å; F151-Q159 HydrophobicContact CZ-CB 3.75Å; F151-Q159 HydrophobicContact CZ-CG 3.59Å; F151-Q159 PolarHBondContact O-NE2 2.86Å; F151-Y162 HydrophobicContact CB-CE1 4.38Å; F151-Y162 AromaticContact CD2-CD1 3.55Å; F151-Y162 HydrophobicContact CD2-CD1 3.55Å; F151-Y162 AromaticContact CD2-CE1 3.86Å; F151-Y162 HydrophobicContact CD2-CE1 3.86Å; F151-Y162 AromaticContact CD2-CG 3.92Å; F151-Y162 HydrophobicContact CD2-CG 3.92Å; F151-Y162 HydrophobicContact CE2-CD1 4.08Å; F151-Y162 HydrophobicContact CE2-CG 4.28Å; F151-V167 HydrophobicContact CE2-CG2 4.29Å; F151-V170 HydrophobicContact CB-CG1 4.42Å; F151-V170 HydrophobicContact CB-CG2 3.87Å; F151-V170 HydrophobicContact CD1-CG1 4.2Å; F151-V170 HydrophobicContact CG-CG1 4.35Å; F151-V170 HydrophobicContact CG-CG2 4.23Å; F151-L200 HydrophobicContact CD1-CD2 4.3Å; F151-L200 HydrophobicContact CE1-CD2 3.37Å; F151-L200 HydrophobicContact CZ-CD2 3.63Å
152	C	86.9	Confident	89.2	Confident	50 Å²	50	56 Å²	56	34%	0.338	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-31.2	178.5	-64.8	0	0	0	0	113.2	S148 D149 K150 L154 R196	S148-C152 PolarHBondContact O-N 3.42Å; S148-C152 PolarHBondContact O-SG 3.28Å; D149-C152 PolarHBondContact O-N 2.85Å; D149-C152 VanDerWaalsContact O-N 3.16Å; K150-C152 VanDerWaalsContact C-N 3.33Å; K150-C152 PolarHBondContact O-N 2.97Å; C152-L154 VanDerWaalsContact C-N 3.32Å; C152-R196 PolarHBondContact SG-NH2 3.27Å
153	A	90.1	Very high	89	Confident	89 Å²	89	58.2 Å²	58.2	74%	0.736	32%	0.323	S	S	*	.	H	α-helix	trans	-78.3	-13.3	179.7	0	0	0	0	0	113.8	D149 K150 F151	D149-A153 PolarHBondContact O-N 2.81Å; K150-A153 PolarHBondContact O-N 2.99Å; F151-A153 VanDerWaalsContact C-N 3.28Å; F151-A153 PolarHBondContact O-N 3.01Å
154	L	92.1	Very high	88.9	Confident	48 Å²	48	59 Å²	59	25%	0.251	33%	0.327	S	S	.	.	S	Bend	trans	-77.1	151.9	-179.7	-65.9	177	0	0	0	112.8	K150 F151 C152 Q158 Q159 Y162	K150-L154 WeakPolarHBondContact O-CG 3.22Å; K150-L154 PolarHBondContact O-N 3.02Å; F151-L154 PolarHBondContact O-N 2.96Å; C152-L154 VanDerWaalsContact C-N 3.32Å; L154-Q158 HydrophobicContact CB-CB 3.89Å; L154-Q158 HydrophobicContact CD1-CB 4.37Å; L154-Q158 HydrophobicContact CD2-CB 4.12Å; L154-Q158 HydrophobicContact CG-CB 4.33Å; L154-Q159 HydrophobicContact CB-CG 3.86Å; L154-Q159 PolarHBondContact O-NE2 2.98Å; L154-Y162 HydrophobicContact CD1-CD2 3.47Å; L154-Y162 VanDerWaalsContact CD1-CD2 3.47Å; L154-Y162 HydrophobicContact CD1-CE2 3.6Å; L154-Y162 HydrophobicContact CD1-CG 4.34Å
155	S	92.3	Very high	89	Confident	48 Å²	48	62.9 Å²	62.9	34%	0.336	34%	0.344	S	S	.	.			trans	-67.5	166.1	168.2	86.4	0	0	0	0	111.7	E157 Q158 Q159	S155-E157 VanDerWaalsContact C-N 3.3Å; S155-E157 WeakPolarHBondContact CB-OE2 3.48Å; S155-E157 PolarHBondContact O-N 3.42Å; S155-E157 PolarHBondContact OG-N 3.31Å; S155-E157 PolarHBondContact OG-OE2 3.35Å; S155-Q158 PolarHBondContact O-N 3.17Å; S155-Q158 PolarHBondContact OG-N 3.46Å; S155-Q159 WeakPolarHBondContact O-CG 3.34Å; S155-Q159 PolarHBondContact O-N 3.26Å
156	A	87.4	Confident	89.2	Confident	59 Å²	59	66.9 Å²	66.9	49%	0.488	36%	0.361	S	S	.	.	H	α-helix	trans	-58.8	-41.9	178.8	0	0	0	0	0	112.1	Q158 Q159 D160	A156-Q158 VanDerWaalsContact C-N 3.33Å; A156-Q158 PolarHBondContact O-N 3Å; A156-Q159 PolarHBondContact O-N 3.32Å; A156-D160 PolarHBondContact O-N 2.87Å; A156-D160 VanDerWaalsContact O-N 3.1Å
157	E	88	Confident	89.5	Confident	125 Å²	125	66.5 Å²	66.5	58%	0.584	36%	0.357	S	S	*	.	H	α-helix	trans	-65.9	-38	179.9	-55.2	73.8	-158.5	0	0	111.6	S155 D160 Q161	S155-E157 VanDerWaalsContact C-N 3.3Å; S155-E157 WeakPolarHBondContact CB-OE2 3.48Å; S155-E157 PolarHBondContact O-N 3.42Å; S155-E157 PolarHBondContact OG-N 3.31Å; S155-E157 PolarHBondContact OG-OE2 3.35Å; E157-D160 PolarHBondContact O-N 3.31Å; E157-Q161 PolarHBondContact O-N 3.45Å
158	Q	90.7	Very high	89.6	Confident	101 Å²	101	66.4 Å²	66.4	47%	0.472	36%	0.357	S	S	.	.	H	α-helix	trans	-71.4	-36.3	176.9	-69.8	175.5	-32.9	0	0	112	L154 S155 A156 D160 Q161 Y162	L154-Q158 HydrophobicContact CB-CB 3.89Å; L154-Q158 HydrophobicContact CD1-CB 4.37Å; L154-Q158 HydrophobicContact CD2-CB 4.12Å; L154-Q158 HydrophobicContact CG-CB 4.33Å; S155-Q158 PolarHBondContact O-N 3.17Å; S155-Q158 PolarHBondContact OG-N 3.46Å; A156-Q158 VanDerWaalsContact C-N 3.33Å; A156-Q158 PolarHBondContact O-N 3Å; Q158-D160 VanDerWaalsContact C-N 3.3Å; Q158-D160 PolarHBondContact O-N 3.03Å; Q158-Q161 PolarHBondContact O-N 3.07Å; Q158-Y162 PolarHBondContact O-N 3.49Å
159	Q	88.6	Confident	89.8	Confident	42 Å²	42	70.4 Å²	70.4	20%	0.196	37%	0.374	C	S	.	.	H	α-helix	trans	-63.2	-37.3	174.3	-74.1	178.8	2.6	0	0	111.7	F151 L154 S155 A156 Q161 Y162	F151-Q159 HydrophobicContact CD1-CG 4.49Å; F151-Q159 HydrophobicContact CD2-CG 4.21Å; F151-Q159 HydrophobicContact CE1-CG 3.99Å; F151-Q159 HydrophobicContact CE2-CB 3.81Å; F151-Q159 HydrophobicContact CE2-CG 3.72Å; F151-Q159 HydrophobicContact CZ-CB 3.75Å; F151-Q159 HydrophobicContact CZ-CG 3.59Å; F151-Q159 PolarHBondContact O-NE2 2.86Å; L154-Q159 HydrophobicContact CB-CG 3.86Å; L154-Q159 PolarHBondContact O-NE2 2.98Å; S155-Q159 WeakPolarHBondContact O-CG 3.34Å; S155-Q159 PolarHBondContact O-N 3.26Å; A156-Q159 PolarHBondContact O-N 3.32Å; Q159-Q161 VanDerWaalsContact C-N 3.32Å; Q159-Q161 PolarHBondContact O-N 3Å; Q159-Y162 WeakPolarHBondContact O-CB 3.21Å; Q159-Y162 PolarHBondContact O-N 3.13Å; Q159-Y162 VanDerWaalsContact O-N 3.17Å
160	D	85.1	Confident	90.1	Very high	116 Å²	116	67.5 Å²	67.5	62%	0.62	36%	0.359	S	S	*	.	H	α-helix	trans	-66.4	-34.2	179.1	-72	-19.7	0	0	0	112.5	A156 E157 Q158 Y162	A156-D160 PolarHBondContact O-N 2.87Å; A156-D160 VanDerWaalsContact O-N 3.1Å; E157-D160 PolarHBondContact O-N 3.31Å; Q158-D160 VanDerWaalsContact C-N 3.3Å; Q158-D160 PolarHBondContact O-N 3.03Å; D160-Y162 VanDerWaalsContact C-N 3.3Å
161	Q	88.3	Confident	90.3	Very high	163 Å²	163	62.4 Å²	62.4	76%	0.762	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.4	176.5	-62.9	-179.8	30.6	0	0	113.2	E157 Q158 Q159	E157-Q161 PolarHBondContact O-N 3.45Å; Q158-Q161 PolarHBondContact O-N 3.07Å; Q159-Q161 VanDerWaalsContact C-N 3.32Å; Q159-Q161 PolarHBondContact O-N 3Å
162	Y	89.8	Confident	90.6	Very high	23 Å²	23	63.4 Å²	63.4	9%	0.09	35%	0.348	C	S	.	.	S	Bend	trans	-65.1	136	-173.2	-154	-114.4	0	0	0	111.6	E147 F151 L154 Q158 Q159 D160 K166 V167 R204	E147-Y162 PolarHBondContact OE2-OH 2.76Å; F151-Y162 HydrophobicContact CB-CE1 4.38Å; F151-Y162 AromaticContact CD2-CD1 3.55Å; F151-Y162 HydrophobicContact CD2-CD1 3.55Å; F151-Y162 AromaticContact CD2-CE1 3.86Å; F151-Y162 HydrophobicContact CD2-CE1 3.86Å; F151-Y162 AromaticContact CD2-CG 3.92Å; F151-Y162 HydrophobicContact CD2-CG 3.92Å; F151-Y162 HydrophobicContact CE2-CD1 4.08Å; F151-Y162 HydrophobicContact CE2-CG 4.28Å; L154-Y162 HydrophobicContact CD1-CD2 3.47Å; L154-Y162 VanDerWaalsContact CD1-CD2 3.47Å; L154-Y162 HydrophobicContact CD1-CE2 3.6Å; L154-Y162 HydrophobicContact CD1-CG 4.34Å; Q158-Y162 PolarHBondContact O-N 3.49Å; Q159-Y162 WeakPolarHBondContact O-CB 3.21Å; Q159-Y162 PolarHBondContact O-N 3.13Å; Q159-Y162 VanDerWaalsContact O-N 3.17Å; D160-Y162 VanDerWaalsContact C-N 3.3Å; Y162-K166 HydrophobicContact CD1-CB 3.76Å; Y162-K166 HydrophobicContact CE1-CB 3.3Å; Y162-K166 HydrophobicContact CE1-CD 3.86Å; Y162-K166 HydrophobicContact CE1-CG 4.25Å; Y162-K166 HydrophobicContact CE2-CD 4.36Å; Y162-V167 HydrophobicContact CD1-CG2 3.86Å; Y162-R204 PolarHBondContact O-NH1 2.79Å; Y162-R204 PolarHBondContact O-NH2 3.07Å
163	P	91.1	Very high	90.9	Very high	69 Å²	69	61.4 Å²	61.4	45%	0.448	33%	0.334	S	S	.	.			trans	-58.6	140	-175.5	-27.1	34.3	0	0	0	114.1	Q165 K166 V167	P163-Q165 PolarHBondContact O-N 3.24Å; P163-K166 HydrophobicContact CB-CD 4.37Å; P163-K166 HydrophobicContact CB-CG 4.22Å; P163-K166 HydrophobicContact CG-CD 4.17Å; P163-K166 WeakPolarHBondContact O-CB 3.32Å; P163-K166 PolarHBondContact O-N 2.9Å; P163-V167 PolarHBondContact O-N 2.86Å
164	L	88.8	Confident	91.1	Very high	30 Å²	30	57.1 Å²	57.1	16%	0.157	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-44.9	-174.2	179.4	62.6	0	0	0	112.8	K166 V167 L168 A210 V214	L164-K166 PolarHBondContact O-N 2.93Å; L164-V167 PolarHBondContact O-N 3.32Å; L164-V167 VanDerWaalsContact O-N 3.08Å; L164-L168 HydrophobicContact CD1-CD2 4.46Å; L164-L168 HydrophobicContact CD1-CG 4.26Å; L164-L168 HydrophobicContact CG-CD1 4.29Å; L164-L168 HydrophobicContact CG-CG 4.31Å; L164-L168 WeakPolarHBondContact O-CG 3.4Å; L164-L168 PolarHBondContact O-N 3.16Å; L164-A210 HydrophobicContact CD2-CB 3.6Å; L164-V214 HydrophobicContact CD1-CG2 4.07Å; L164-V214 HydrophobicContact CD2-CG2 4.38Å
165	Q	90.7	Very high	91.3	Very high	128 Å²	128	57.3 Å²	57.3	60%	0.598	30%	0.296	S	S	*	.	H	α-helix	trans	-57	-37.4	178.2	-64.8	-61.7	-11	0	0	112.3	P163 L168 K169	P163-Q165 PolarHBondContact O-N 3.24Å; Q165-L168 PolarHBondContact O-N 3.34Å; Q165-K169 PolarHBondContact O-N 3.26Å; Q165-K169 VanDerWaalsContact O-N 3.1Å
166	K	91.8	Very high	91.4	Very high	83 Å²	83	58.5 Å²	58.5	36%	0.361	30%	0.297	S	S	.	.	H	α-helix	trans	-71.6	-41.6	176.4	-61.7	-172.4	165.7	-143.6	0	111.9	E147 Y162 P163 L164 L168 K169 V170	E147-K166 WeakPolarHBondContact OE2-CD 3.41Å; E147-K166 WeakPolarHBondContact OE2-CE 3.36Å; E147-K166 IonicContact OE2-NZ 3.83Å; E147-K166 PolarHBondContact OE2-NZ 3.46Å; Y162-K166 HydrophobicContact CD1-CB 3.76Å; Y162-K166 HydrophobicContact CE1-CB 3.3Å; Y162-K166 HydrophobicContact CE1-CD 3.86Å; Y162-K166 HydrophobicContact CE1-CG 4.25Å; Y162-K166 HydrophobicContact CE2-CD 4.36Å; P163-K166 HydrophobicContact CB-CD 4.37Å; P163-K166 HydrophobicContact CB-CG 4.22Å; P163-K166 HydrophobicContact CG-CD 4.17Å; P163-K166 WeakPolarHBondContact O-CB 3.32Å; P163-K166 PolarHBondContact O-N 2.9Å; L164-K166 PolarHBondContact O-N 2.93Å; K166-L168 VanDerWaalsContact C-N 3.29Å; K166-L168 PolarHBondContact O-N 2.88Å; K166-K169 WeakPolarHBondContact O-CA 3.42Å; K166-K169 WeakPolarHBondContact O-CB 3.23Å; K166-K169 PolarHBondContact O-N 2.87Å; K166-K169 VanDerWaalsContact O-N 3.1Å; K166-V170 WeakPolarHBondContact O-CG2 3.45Å; K166-V170 PolarHBondContact O-N 2.92Å
167	V	91.8	Very high	91.7	Very high	9 Å²	9	56.4 Å²	56.4	6%	0.055	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-40.9	174	178.7	0	0	0	0	111.4	F151 Y162 P163 L164 K169 V170 A171 L200	F151-V167 HydrophobicContact CE2-CG2 4.29Å; Y162-V167 HydrophobicContact CD1-CG2 3.86Å; P163-V167 PolarHBondContact O-N 2.86Å; L164-V167 PolarHBondContact O-N 3.32Å; L164-V167 VanDerWaalsContact O-N 3.08Å; V167-K169 VanDerWaalsContact C-N 3.32Å; V167-K169 PolarHBondContact O-N 3.01Å; V167-V170 PolarHBondContact O-N 2.91Å; V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 2.92Å; V167-L200 HydrophobicContact CG1-CB 4.32Å
168	L	92.5	Very high	92.1	Very high	23 Å²	23	50.5 Å²	50.5	12%	0.12	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-42.3	174.6	-66.6	177.5	0	0	0	111.2	L164 Q165 K166 A171 A172 L201 L213 V214 A217	L164-L168 HydrophobicContact CD1-CD2 4.46Å; L164-L168 HydrophobicContact CD1-CG 4.26Å; L164-L168 HydrophobicContact CG-CD1 4.29Å; L164-L168 HydrophobicContact CG-CG 4.31Å; L164-L168 WeakPolarHBondContact O-CG 3.4Å; L164-L168 PolarHBondContact O-N 3.16Å; Q165-L168 PolarHBondContact O-N 3.34Å; K166-L168 VanDerWaalsContact C-N 3.29Å; K166-L168 PolarHBondContact O-N 2.88Å; L168-A171 PolarHBondContact O-N 2.73Å; L168-A172 WeakPolarHBondContact O-CB 3.44Å; L168-A172 PolarHBondContact O-N 3.26Å; L168-L201 HydrophobicContact CD2-CD2 3.59Å; L168-L213 HydrophobicContact CD1-CB 4.16Å; L168-V214 HydrophobicContact CD2-CG2 4.37Å; L168-A217 HydrophobicContact CD2-CB 3.83Å
169	K	92.8	Very high	92.3	Very high	86 Å²	86	47.9 Å²	47.9	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-47.9	173.4	-172.3	177	176.2	-175.4	0	111.5	D144 E147 Q165 K166 V167 A171 A172 T173	D144-K169 WeakPolarHBondContact OD2-CE 3.44Å; D144-K169 IonicContact OD2-NZ 3.4Å; D144-K169 PolarHBondContact OD2-NZ 3.4Å; E147-K169 HydrophobicContact CB-CD 4.35Å; E147-K169 HydrophobicContact CG-CD 4.08Å; Q165-K169 PolarHBondContact O-N 3.26Å; Q165-K169 VanDerWaalsContact O-N 3.1Å; K166-K169 WeakPolarHBondContact O-CA 3.42Å; K166-K169 WeakPolarHBondContact O-CB 3.23Å; K166-K169 PolarHBondContact O-N 2.87Å; K166-K169 VanDerWaalsContact O-N 3.1Å; V167-K169 VanDerWaalsContact C-N 3.32Å; V167-K169 PolarHBondContact O-N 3.01Å; K169-A171 VanDerWaalsContact C-N 3.34Å; K169-A171 PolarHBondContact O-N 3.01Å; K169-A172 WeakPolarHBondContact O-CB 3.4Å; K169-A172 PolarHBondContact O-N 2.7Å; K169-A172 VanDerWaalsContact O-N 3.14Å; K169-T173 PolarHBondContact O-N 3.38Å; K169-T173 PolarHBondContact O-OG1 3.3Å
170	V	93.6	Very high	92.5	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-45.1	176.6	177.6	0	0	0	0	111.6	E147 F151 K166 V167 A172 T173 E174 L200	E147-V170 HydrophobicContact CB-CG2 4.44Å; F151-V170 HydrophobicContact CB-CG1 4.42Å; F151-V170 HydrophobicContact CB-CG2 3.87Å; F151-V170 HydrophobicContact CD1-CG1 4.2Å; F151-V170 HydrophobicContact CG-CG1 4.35Å; F151-V170 HydrophobicContact CG-CG2 4.23Å; K166-V170 WeakPolarHBondContact O-CG2 3.45Å; K166-V170 PolarHBondContact O-N 2.92Å; V167-V170 PolarHBondContact O-N 2.91Å; V170-A172 VanDerWaalsContact C-N 3.32Å; V170-A172 PolarHBondContact O-N 2.88Å; V170-T173 WeakPolarHBondContact O-CB 3.47Å; V170-T173 PolarHBondContact O-N 3.06Å; V170-E174 WeakPolarHBondContact O-CG 3.27Å; V170-E174 PolarHBondContact O-N 3.27Å; V170-L200 HydrophobicContact CB-CD1 4.43Å; V170-L200 HydrophobicContact CG1-CD1 3.64Å
171	A	94.7	Very high	92.8	Very high	3 Å²	3	42 Å²	42	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-37.2	177.5	0	0	0	0	0	112.3	V167 L168 K169 R175 A197 L200 L201	V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 2.92Å; L168-A171 PolarHBondContact O-N 2.73Å; K169-A171 VanDerWaalsContact C-N 3.34Å; K169-A171 PolarHBondContact O-N 3.01Å; A171-R175 WeakPolarHBondContact O-CB 3.48Å; A171-R175 PolarHBondContact O-N 3.03Å; A171-A197 HydrophobicContact CB-CB 4.5Å; A171-A197 WeakPolarHBondContact O-CB 3.28Å; A171-L200 HydrophobicContact CB-CB 4.4Å; A171-L200 HydrophobicContact CB-CD1 4.47Å; A171-L201 HydrophobicContact CB-CD1 4.19Å; A171-L201 HydrophobicContact CB-CD2 3.81Å; A171-L201 HydrophobicContact CB-CG 3.82Å
172	A	95.1	Very high	93.2	Very high	35 Å²	35	36 Å²	36	29%	0.289	18%	0.178	S	C	.	.	H	α-helix	trans	-64.7	-44.7	173.8	0	0	0	0	0	111.7	L168 K169 V170 R175 E176	L168-A172 WeakPolarHBondContact O-CB 3.44Å; L168-A172 PolarHBondContact O-N 3.26Å; K169-A172 WeakPolarHBondContact O-CB 3.4Å; K169-A172 PolarHBondContact O-N 2.7Å; K169-A172 VanDerWaalsContact O-N 3.14Å; V170-A172 VanDerWaalsContact C-N 3.32Å; V170-A172 PolarHBondContact O-N 2.88Å; A172-R175 WeakPolarHBondContact O-CB 3.08Å; A172-R175 PolarHBondContact O-N 3.12Å; A172-E176 WeakPolarHBondContact O-CG 3.36Å; A172-E176 PolarHBondContact O-N 2.93Å
173	T	93.4	Very high	93.3	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.043	20%	0.2	C	C	.	.	H	α-helix	trans	-58.2	-48.5	174.2	-62.5	0	0	0	0	111.1	D144 K169 V170 R175 E176 F177	D144-T173 WeakPolarHBondContact O-CG2 3.38Å; D144-T173 PolarHBondContact O-OG1 2.76Å; K169-T173 PolarHBondContact O-N 3.38Å; K169-T173 PolarHBondContact O-OG1 3.3Å; V170-T173 WeakPolarHBondContact O-CB 3.47Å; V170-T173 PolarHBondContact O-N 3.06Å; T173-R175 VanDerWaalsContact C-N 3.3Å; T173-R175 PolarHBondContact O-N 3.29Å; T173-E176 WeakPolarHBondContact O-CA 3.39Å; T173-E176 WeakPolarHBondContact O-CB 3.42Å; T173-E176 PolarHBondContact O-N 2.67Å; T173-F177 HydrophobicContact CG2-CD2 3.8Å; T173-F177 HydrophobicContact CG2-CE2 3.51Å; T173-F177 VanDerWaalsContact O-CD2 3.26Å; T173-F177 WeakPolarHBondContact O-CD2 2.91Å; T173-F177 PolarHBondContact O-N 2.94Å
174	E	94.9	Very high	93.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-37.9	176.6	-73.6	-65.5	166.1	0	0	112.5	V170 E176 F177 G178 R193 R196 A197 L200	V170-E174 WeakPolarHBondContact O-CG 3.27Å; V170-E174 PolarHBondContact O-N 3.27Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.37Å; E174-F177 PolarHBondContact O-N 3.42Å; E174-G178 PolarHBondContact O-N 3.2Å; E174-R193 IonicContact OE1-NH1 2.66Å; E174-R193 PolarHBondContact OE1-NH1 3.43Å; E174-R193 VanDerWaalsContact OE1-NH1 3.12Å; E174-R193 WeakPolarHBondContact OE2-CD 3.39Å; E174-R193 IonicContact OE2-CZ 3.2Å; E174-R193 IonicContact OE2-NE 2.73Å; E174-R193 IonicContact OE2-NH1 3.73Å; E174-R193 PolarHBondContact OE2-NH1 2.97Å; E174-R196 HydrophobicContact CG-CG 4.34Å; E174-R196 IonicContact OE1-CZ 2.93Å; E174-R196 IonicContact OE1-NE 2.57Å; E174-R196 IonicContact OE1-NH1 2.82Å; E174-R196 PolarHBondContact OE1-NH1 2.83Å; E174-A197 HydrophobicContact CB-CB 3.88Å; E174-L200 HydrophobicContact CG-CD1 4.38Å
175	R	96.6	Very high	93.4	Very high	51 Å²	51	45.4 Å²	45.4	19%	0.192	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-38.6	172.5	-178.6	-171.2	59	70.2	8.7	111.4	A171 A172 T173 G178 N179 Y194 V221	A171-R175 WeakPolarHBondContact O-CB 3.48Å; A171-R175 PolarHBondContact O-N 3.03Å; A172-R175 WeakPolarHBondContact O-CB 3.08Å; A172-R175 PolarHBondContact O-N 3.12Å; T173-R175 VanDerWaalsContact C-N 3.3Å; T173-R175 PolarHBondContact O-N 3.29Å; R175-G178 WeakPolarHBondContact O-CA 3.44Å; R175-G178 PolarHBondContact O-N 3.34Å; R175-N179 PolarHBondContact NH1-ND2 2.69Å; R175-N179 PolarHBondContact O-N 3.4Å; R175-N179 PolarHBondContact O-OD1 3.34Å; R175-Y194 HydrophobicContact CG-CD1 4.25Å; R175-Y194 HydrophobicContact CG-CE1 4.1Å; R175-Y194 VanDerWaalsContact O-CE1 3.28Å; R175-Y194 WeakPolarHBondContact O-CE1 3.27Å; R175-V221 HydrophobicContact CB-CG2 4.19Å; R175-V221 HydrophobicContact CG-CG2 4.13Å
176	E	94.9	Very high	93.6	Very high	73 Å²	73	45.4 Å²	45.4	34%	0.341	21%	0.208	S	C	.	.	H	α-helix	trans	-70.4	-40.2	178.6	-72.4	172.9	-175.5	0	0	112.7	L143 A172 T173 E174 G178 N179 Y180	L143-E176 HydrophobicContact CD1-CB 4.43Å; L143-E176 HydrophobicContact CD2-CB 3.78Å; A172-E176 WeakPolarHBondContact O-CG 3.36Å; A172-E176 PolarHBondContact O-N 2.93Å; T173-E176 WeakPolarHBondContact O-CA 3.39Å; T173-E176 WeakPolarHBondContact O-CB 3.42Å; T173-E176 PolarHBondContact O-N 2.67Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.37Å; E176-G178 VanDerWaalsContact C-N 3.26Å; E176-G178 PolarHBondContact O-N 3.39Å; E176-N179 WeakPolarHBondContact O-CB 3.28Å; E176-N179 PolarHBondContact O-N 2.81Å; E176-N179 VanDerWaalsContact O-N 3.12Å; E176-Y180 PolarHBondContact O-N 2.67Å
177	F	93.3	Very high	93.8	Very high	16 Å²	16	43.2 Å²	43.2	7%	0.07	20%	0.199	C	C	.	.	H	α-helix	trans	-57.3	-41.8	167.5	-81.1	-77.7	0	0	0	111.4	L83 L143 T173 E174 Y180 L181 R193	L83-F177 HydrophobicContact CD2-CD1 3.53Å; L83-F177 HydrophobicContact CD2-CE1 3.21Å; L83-F177 HydrophobicContact CD2-CZ 4.3Å; L83-F177 HydrophobicContact CG-CE1 4.47Å; L143-F177 HydrophobicContact CB-CZ 4.42Å; L143-F177 HydrophobicContact CD1-CB 4.49Å; L143-F177 HydrophobicContact CD1-CD1 3.73Å; L143-F177 HydrophobicContact CD1-CD2 4.1Å; L143-F177 HydrophobicContact CD1-CE1 3.94Å; L143-F177 HydrophobicContact CD1-CE2 4.24Å; L143-F177 HydrophobicContact CD1-CG 3.82Å; L143-F177 HydrophobicContact CD1-CZ 4.16Å; T173-F177 HydrophobicContact CG2-CD2 3.8Å; T173-F177 HydrophobicContact CG2-CE2 3.51Å; T173-F177 VanDerWaalsContact O-CD2 3.26Å; T173-F177 WeakPolarHBondContact O-CD2 2.91Å; T173-F177 PolarHBondContact O-N 2.94Å; E174-F177 PolarHBondContact O-N 3.42Å; F177-Y180 WeakPolarHBondContact O-CB 3.49Å; F177-Y180 PolarHBondContact O-N 2.85Å; F177-L181 WeakPolarHBondContact O-CG 3.46Å; F177-L181 PolarHBondContact O-N 3.42Å; F177-R193 HydrophobicContact CB-CG 4.15Å
178	G	95.7	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-46	172.9	0	0	0	0	0	112.6	E174 R175 E176 Y180 L181 F182 A190 Y194	E174-G178 PolarHBondContact O-N 3.2Å; R175-G178 WeakPolarHBondContact O-CA 3.44Å; R175-G178 PolarHBondContact O-N 3.34Å; E176-G178 VanDerWaalsContact C-N 3.26Å; E176-G178 PolarHBondContact O-N 3.39Å; G178-Y180 VanDerWaalsContact C-N 3.33Å; G178-Y180 PolarHBondContact O-N 3.48Å; G178-L181 PolarHBondContact O-N 3.06Å; G178-F182 WeakPolarHBondContact O-CB 3.49Å; G178-F182 PolarHBondContact O-N 3.3Å; G178-A190 WeakPolarHBondContact O-CB 3.5Å; G178-Y194 VanDerWaalsContact C-OH 3.24Å; G178-Y194 PolarHBondContact O-OH 3.09Å
179	N	95.5	Very high	94.2	Very high	47 Å²	47	48 Å²	48	25%	0.251	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-40	177.5	-74.2	-4.7	0	0	0	112.4	R175 E176 F182 R183 Y194 N224	R175-N179 PolarHBondContact NH1-ND2 2.69Å; R175-N179 PolarHBondContact O-N 3.4Å; R175-N179 PolarHBondContact O-OD1 3.34Å; E176-N179 WeakPolarHBondContact O-CB 3.28Å; E176-N179 PolarHBondContact O-N 2.81Å; E176-N179 VanDerWaalsContact O-N 3.12Å; N179-F182 PolarHBondContact O-N 2.89Å; N179-R183 WeakPolarHBondContact O-CG 3.36Å; N179-R183 PolarHBondContact O-N 3.25Å; N179-Y194 VanDerWaalsContact CA-OH 3.25Å; N179-Y194 WeakPolarHBondContact CA-OH 3.45Å; N179-Y194 PolarHBondContact N-OH 3.03Å; N179-Y194 VanDerWaalsContact N-OH 3.16Å; N179-Y194 WeakPolarHBondContact OD1-CE1 3.36Å; N179-Y194 PolarHBondContact OD1-OH 3.35Å; N179-N224 PolarHBondContact OD1-ND2 3.16Å
180	Y	91.6	Very high	94.4	Very high	18 Å²	18	43.9 Å²	43.9	7%	0.071	21%	0.211	C	C	.	.	H	α-helix	trans	-59.1	-53.6	174.5	168.1	-104.5	0	0	0	110.8	L58 P81 L83 E176 F177 G178 F182 R183 Q184	L58-Y180 HydrophobicContact CD1-CE2 3.79Å; L58-Y180 WeakPolarHBondContact CD1-OH 3.28Å; L58-Y180 HydrophobicContact CD2-CE2 3.83Å; L58-Y180 HydrophobicContact CG-CE2 4.44Å; P81-Y180 PolarHBondContact O-OH 3.22Å; L83-Y180 HydrophobicContact CB-CE1 4.09Å; L83-Y180 HydrophobicContact CD2-CD1 4.35Å; E176-Y180 PolarHBondContact O-N 2.67Å; F177-Y180 WeakPolarHBondContact O-CB 3.49Å; F177-Y180 PolarHBondContact O-N 2.85Å; G178-Y180 VanDerWaalsContact C-N 3.33Å; G178-Y180 PolarHBondContact O-N 3.48Å; Y180-F182 VanDerWaalsContact C-N 3.26Å; Y180-F182 PolarHBondContact O-N 3.2Å; Y180-R183 PolarHBondContact O-N 3.04Å; Y180-Q184 HydrophobicContact CE2-CG 4.15Å; Y180-Q184 WeakPolarHBondContact O-CG 3.49Å; Y180-Q184 PolarHBondContact O-N 2.88Å
181	L	92.5	Very high	94.6	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.089	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-36.5	179.3	-67	163.7	0	0	0	112.1	F177 G178 Q184 N185 R186 D189 A190 R193	F177-L181 WeakPolarHBondContact O-CG 3.46Å; F177-L181 PolarHBondContact O-N 3.42Å; G178-L181 PolarHBondContact O-N 3.06Å; L181-Q184 CarbonylContact O-C 3.49Å; L181-Q184 PolarHBondContact O-N 3.18Å; L181-N185 PolarHBondContact O-N 3.44Å; L181-R186 HydrophobicContact CB-CB 4.35Å; L181-R186 HydrophobicContact CD2-CB 4.45Å; L181-R186 WeakPolarHBondContact O-CB 3.3Å; L181-R186 PolarHBondContact O-N 3.14Å; L181-D189 HydrophobicContact CB-CB 4.45Å; L181-D189 HydrophobicContact CD1-CB 3.8Å; L181-D189 HydrophobicContact CD2-CB 4.12Å; L181-D189 HydrophobicContact CG-CB 4.35Å; L181-A190 HydrophobicContact CB-CB 3.93Å; L181-R193 HydrophobicContact CD1-CG 3.67Å
182	F	95.5	Very high	94.8	Very high	35 Å²	35	50.5 Å²	50.5	15%	0.154	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-45.3	176.2	-169.4	-78.7	0	0	0	111.7	G178 N179 Y180 Q184 N185 F187 A190 Y194 F227 T228 K231	G178-F182 WeakPolarHBondContact O-CB 3.49Å; G178-F182 PolarHBondContact O-N 3.3Å; N179-F182 PolarHBondContact O-N 2.89Å; Y180-F182 VanDerWaalsContact C-N 3.26Å; Y180-F182 PolarHBondContact O-N 3.2Å; F182-Q184 PolarHBondContact O-N 3.26Å; F182-N185 PolarHBondContact O-N 2.93Å; F182-F187 HydrophobicContact CD1-CE1 4.24Å; F182-F187 AromaticContact CD2-CD1 3.74Å; F182-F187 HydrophobicContact CD2-CD1 3.74Å; F182-F187 HydrophobicContact CD2-CE1 4.07Å; F182-F187 AromaticContact CE1-CE1 3.97Å; F182-F187 HydrophobicContact CE1-CE1 3.97Å; F182-F187 AromaticContact CE2-CD1 3.66Å; F182-F187 HydrophobicContact CE2-CD1 3.66Å; F182-F187 AromaticContact CE2-CE1 3.81Å; F182-F187 HydrophobicContact CE2-CE1 3.81Å; F182-F187 HydrophobicContact CG-CD1 4.25Å; F182-F187 HydrophobicContact CG-CE1 4.26Å; F182-F187 HydrophobicContact CZ-CD1 4.09Å; F182-F187 AromaticContact CZ-CE1 3.74Å; F182-F187 HydrophobicContact CZ-CE1 3.74Å; F182-A190 HydrophobicContact CB-CB 4.01Å; F182-A190 HydrophobicContact CD2-CB 4.47Å; F182-Y194 HydrophobicContact CD2-CE2 4.4Å; F182-F227 AromaticContact CE1-CD1 3.92Å; F182-F227 HydrophobicContact CE1-CD1 3.92Å; F182-F227 AromaticContact CE1-CE1 3.6Å; F182-F227 HydrophobicContact CE1-CE1 3.6Å; F182-F227 AromaticContact CE2-CD1 3.89Å; F182-F227 HydrophobicContact CE2-CD1 3.89Å; F182-F227 HydrophobicContact CE2-CE1 4.31Å; F182-F227 HydrophobicContact CE2-CG 4.48Å; F182-F227 AromaticContact CZ-CD1 3.26Å; F182-F227 HydrophobicContact CZ-CD1 3.26Å; F182-F227 AromaticContact CZ-CE1 3.26Å; F182-F227 HydrophobicContact CZ-CE1 3.26Å; F182-F227 HydrophobicContact CZ-CG 4.11Å; F182-F227 HydrophobicContact CZ-CZ 4.09Å; F182-T228 WeakPolarHBondContact CD2-OG1 3.37Å; F182-K231 HydrophobicContact CE2-CG 4.2Å; F182-K231 HydrophobicContact CZ-CG 3.87Å
183	R	92.1	Very high	94.9	Very high	146 Å²	146	52.3 Å²	52.3	55%	0.551	25%	0.246	S	C	*	.	H	α-helix	trans	-60.7	-27.7	176	-74.9	-175.7	-77.6	156.1	-8.4	112.7	D141 N179 Y180 N185	D141-R183 IonicContact OD2-NH1 2.73Å; D141-R183 IonicContact OD2-NH2 3.61Å; D141-R183 PolarHBondContact OD2-NH2 3.37Å; N179-R183 WeakPolarHBondContact O-CG 3.36Å; N179-R183 PolarHBondContact O-N 3.25Å; Y180-R183 PolarHBondContact O-N 3.04Å; R183-N185 PolarHBondContact O-N 3.3Å
184	Q	88.8	Confident	95.1	Very high	54 Å²	54	52.1 Å²	52.1	25%	0.252	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	11.6	175.4	-56.2	-57	-20.1	0	0	113.5	Y180 L181 F182 R186	Y180-Q184 HydrophobicContact CE2-CG 4.15Å; Y180-Q184 WeakPolarHBondContact O-CG 3.49Å; Y180-Q184 PolarHBondContact O-N 2.88Å; L181-Q184 CarbonylContact O-C 3.49Å; L181-Q184 PolarHBondContact O-N 3.18Å; F182-Q184 PolarHBondContact O-N 3.26Å; Q184-R186 HydrophobicContact CB-CG 4.28Å; Q184-R186 PolarHBondContact O-N 2.87Å; Q184-R186 VanDerWaalsContact O-N 3.09Å
185	N	93.9	Very high	95.2	Very high	120 Å²	120	56.4 Å²	56.4	64%	0.642	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	16	-173.4	-58.6	-51.9	0	0	0	114.5	L181 F182 R183 F187	L181-N185 PolarHBondContact O-N 3.44Å; F182-N185 PolarHBondContact O-N 2.93Å; R183-N185 PolarHBondContact O-N 3.3Å; N185-F187 HydrophobicContact CB-CE2 4.14Å; N185-F187 HydrophobicContact CB-CZ 4.02Å; N185-F187 WeakPolarHBondContact O-CD2 3.31Å; N185-F187 PolarHBondContact O-N 3.38Å; N185-F187 WeakPolarHBondContact OD1-CZ 3.23Å
186	R	94.3	Very high	95.2	Very high	128 Å²	128	58.6 Å²	58.6	48%	0.483	27%	0.271	S	S	.	.			trans	-86.5	61.6	177.1	-67	177.1	61.3	-177.2	0.4	110.3	L181 Q184 C188 D189 A190	L181-R186 HydrophobicContact CB-CB 4.35Å; L181-R186 HydrophobicContact CD2-CB 4.45Å; L181-R186 WeakPolarHBondContact O-CB 3.3Å; L181-R186 PolarHBondContact O-N 3.14Å; Q184-R186 HydrophobicContact CB-CG 4.28Å; Q184-R186 PolarHBondContact O-N 2.87Å; Q184-R186 VanDerWaalsContact O-N 3.09Å; R186-C188 VanDerWaalsContact C-N 3.28Å; R186-C188 PolarHBondContact O-N 3.1Å; R186-D189 HydrophobicContact CB-CB 4.34Å; R186-D189 IonicContact CZ-OD2 2.82Å; R186-D189 IonicContact NE-OD2 3.65Å; R186-D189 PolarHBondContact NE-OD2 3.04Å; R186-D189 IonicContact NH2-OD2 3.37Å; R186-D189 PolarHBondContact NH2-OD2 3.23Å; R186-D189 PolarHBondContact O-N 3.1Å; R186-D189 VanDerWaalsContact O-N 3.12Å; R186-A190 PolarHBondContact O-N 3.47Å
187	F	97.5	Very high	95.2	Very high	37 Å²	37	55.1 Å²	55.1	16%	0.162	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-34.3	-172.3	-54.2	-56.2	0	0	0	113.3	F182 N185 K191 T228 K231 L232	F182-F187 HydrophobicContact CD1-CE1 4.24Å; F182-F187 AromaticContact CD2-CD1 3.74Å; F182-F187 HydrophobicContact CD2-CD1 3.74Å; F182-F187 HydrophobicContact CD2-CE1 4.07Å; F182-F187 AromaticContact CE1-CE1 3.97Å; F182-F187 HydrophobicContact CE1-CE1 3.97Å; F182-F187 AromaticContact CE2-CD1 3.66Å; F182-F187 HydrophobicContact CE2-CD1 3.66Å; F182-F187 AromaticContact CE2-CE1 3.81Å; F182-F187 HydrophobicContact CE2-CE1 3.81Å; F182-F187 HydrophobicContact CG-CD1 4.25Å; F182-F187 HydrophobicContact CG-CE1 4.26Å; F182-F187 HydrophobicContact CZ-CD1 4.09Å; F182-F187 AromaticContact CZ-CE1 3.74Å; F182-F187 HydrophobicContact CZ-CE1 3.74Å; N185-F187 HydrophobicContact CB-CE2 4.14Å; N185-F187 HydrophobicContact CB-CZ 4.02Å; N185-F187 WeakPolarHBondContact O-CD2 3.31Å; N185-F187 PolarHBondContact O-N 3.38Å; N185-F187 WeakPolarHBondContact OD1-CZ 3.23Å; F187-K191 VanDerWaalsContact O-CB 3.31Å; F187-K191 WeakPolarHBondContact O-CB 3.26Å; F187-K191 PolarHBondContact O-N 3.03Å; F187-T228 HydrophobicContact CB-CG2 4.13Å; F187-T228 VanDerWaalsContact O-CG2 3.23Å; F187-T228 WeakPolarHBondContact O-CG2 3.47Å; F187-K231 HydrophobicContact CD1-CB 3.88Å; F187-K231 HydrophobicContact CD1-CG 4.23Å; F187-K231 HydrophobicContact CD2-CB 3.89Å; F187-K231 HydrophobicContact CE1-CB 3.99Å; F187-K231 HydrophobicContact CE1-CG 3.93Å; F187-K231 HydrophobicContact CE2-CB 3.99Å; F187-K231 HydrophobicContact CE2-CG 4.48Å; F187-K231 HydrophobicContact CG-CB 3.84Å; F187-K231 HydrophobicContact CZ-CB 4.04Å; F187-K231 HydrophobicContact CZ-CD 4.28Å; F187-K231 HydrophobicContact CZ-CG 4.07Å; F187-L232 HydrophobicContact CB-CD1 4.43Å; F187-L232 HydrophobicContact CB-CD2 3.67Å; F187-L232 HydrophobicContact CB-CG 3.86Å
188	C	96.9	Very high	95.3	Very high	69 Å²	69	54.5 Å²	54.5	47%	0.466	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-42.4	175.6	-77.6	0	0	0	0	112.6	R186 K191 V192	R186-C188 VanDerWaalsContact C-N 3.28Å; R186-C188 PolarHBondContact O-N 3.1Å; C188-K191 WeakPolarHBondContact O-CB 3.08Å; C188-V192 PolarHBondContact O-N 2.87Å
189	D	95.1	Very high	95.2	Very high	63 Å²	63	58.4 Å²	58.4	34%	0.337	27%	0.273	S	S	.	.	H	α-helix	trans	-76.1	-39.6	-179.8	-56.5	-41.8	0	0	0	110.9	L181 R186 K191 V192 R193	L181-D189 HydrophobicContact CB-CB 4.45Å; L181-D189 HydrophobicContact CD1-CB 3.8Å; L181-D189 HydrophobicContact CD2-CB 4.12Å; L181-D189 HydrophobicContact CG-CB 4.35Å; R186-D189 HydrophobicContact CB-CB 4.34Å; R186-D189 IonicContact CZ-OD2 2.82Å; R186-D189 IonicContact NE-OD2 3.65Å; R186-D189 PolarHBondContact NE-OD2 3.04Å; R186-D189 IonicContact NH2-OD2 3.37Å; R186-D189 PolarHBondContact NH2-OD2 3.23Å; R186-D189 PolarHBondContact O-N 3.1Å; R186-D189 VanDerWaalsContact O-N 3.12Å; D189-K191 VanDerWaalsContact C-N 3.3Å; D189-K191 PolarHBondContact O-N 3.48Å; D189-V192 WeakPolarHBondContact O-CB 3.46Å; D189-V192 PolarHBondContact O-N 3.39Å; D189-V192 VanDerWaalsContact O-N 3.08Å; D189-R193 PolarHBondContact O-N 3.49Å
190	A	97.4	Very high	95	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.3	-45.3	173.5	0	0	0	0	0	111.4	G178 L181 F182 R186 V192 R193 Y194	G178-A190 WeakPolarHBondContact O-CB 3.5Å; L181-A190 HydrophobicContact CB-CB 3.93Å; F182-A190 HydrophobicContact CB-CB 4.01Å; F182-A190 HydrophobicContact CD2-CB 4.47Å; R186-A190 PolarHBondContact O-N 3.47Å; A190-V192 VanDerWaalsContact C-N 3.31Å; A190-V192 PolarHBondContact O-N 3.32Å; A190-R193 PolarHBondContact O-N 3.08Å; A190-Y194 HydrophobicContact CB-CD2 4.37Å; A190-Y194 HydrophobicContact CB-CE2 3.88Å; A190-Y194 WeakPolarHBondContact O-CD2 3.01Å; A190-Y194 PolarHBondContact O-N 3.49Å
191	K	98	Very high	95	Very high	55 Å²	55	56.5 Å²	56.5	24%	0.239	26%	0.264	C	S	.	.	H	α-helix	trans	-54.2	-44.3	174.1	172.3	-158.8	71.9	-174.3	0	112	F187 C188 D189 K195 T228 Y229 L232	F187-K191 VanDerWaalsContact O-CB 3.31Å; F187-K191 WeakPolarHBondContact O-CB 3.26Å; F187-K191 PolarHBondContact O-N 3.03Å; C188-K191 WeakPolarHBondContact O-CB 3.08Å; D189-K191 VanDerWaalsContact C-N 3.3Å; D189-K191 PolarHBondContact O-N 3.48Å; K191-K195 HydrophobicContact CG-CD 4.48Å; K191-K195 WeakPolarHBondContact O-CB 3.4Å; K191-K195 WeakPolarHBondContact O-CG 3.5Å; K191-K195 PolarHBondContact O-N 2.81Å; K191-T228 HydrophobicContact CB-CG2 3.91Å; K191-Y229 HydrophobicContact CD-CE1 4.01Å; K191-Y229 HydrophobicContact CD-CE2 4.49Å; K191-Y229 HydrophobicContact CG-CE2 4.17Å; K191-L232 HydrophobicContact CB-CD1 4.38Å; K191-L232 HydrophobicContact CD-CD1 4.09Å
192	V	97.5	Very high	94.7	Very high	89 Å²	89	61.8 Å²	61.8	54%	0.539	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-47	-180	173.9	0	0	0	0	110.3	C188 D189 A190 K195 R196	C188-V192 PolarHBondContact O-N 2.87Å; D189-V192 WeakPolarHBondContact O-CB 3.46Å; D189-V192 PolarHBondContact O-N 3.39Å; D189-V192 VanDerWaalsContact O-N 3.08Å; A190-V192 VanDerWaalsContact C-N 3.31Å; A190-V192 PolarHBondContact O-N 3.32Å; V192-K195 PolarHBondContact O-N 2.66Å; V192-R196 PolarHBondContact O-N 3.49Å
193	R	96.5	Very high	93.6	Very high	74 Å²	74	68 Å²	68	28%	0.279	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-47.8	177.8	-68.8	-66.9	-174.8	167	3.4	112.7	E174 F177 L181 D189 A190 K195 R196 A197	E174-R193 IonicContact OE1-NH1 2.66Å; E174-R193 PolarHBondContact OE1-NH1 3.43Å; E174-R193 VanDerWaalsContact OE1-NH1 3.12Å; E174-R193 WeakPolarHBondContact OE2-CD 3.39Å; E174-R193 IonicContact OE2-CZ 3.2Å; E174-R193 IonicContact OE2-NE 2.73Å; E174-R193 IonicContact OE2-NH1 3.73Å; E174-R193 PolarHBondContact OE2-NH1 2.97Å; F177-R193 HydrophobicContact CB-CG 4.15Å; L181-R193 HydrophobicContact CD1-CG 3.67Å; D189-R193 PolarHBondContact O-N 3.49Å; A190-R193 PolarHBondContact O-N 3.08Å; R193-K195 VanDerWaalsContact C-N 3.32Å; R193-K195 PolarHBondContact O-N 2.86Å; R193-R196 WeakPolarHBondContact O-CB 3.37Å; R193-R196 PolarHBondContact O-N 2.78Å; R193-R196 VanDerWaalsContact O-N 3.15Å; R193-A197 PolarHBondContact O-N 2.92Å
194	Y	98.4	Very high	92.3	Very high	3 Å²	3	64.7 Å²	64.7	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-36.5	176.9	-61.2	-47.5	0	0	0	113	R175 G178 N179 F182 A190 R196 A197 L198 V221 N224 T228	R175-Y194 HydrophobicContact CG-CD1 4.25Å; R175-Y194 HydrophobicContact CG-CE1 4.1Å; R175-Y194 VanDerWaalsContact O-CE1 3.28Å; R175-Y194 WeakPolarHBondContact O-CE1 3.27Å; G178-Y194 VanDerWaalsContact C-OH 3.24Å; G178-Y194 PolarHBondContact O-OH 3.09Å; N179-Y194 VanDerWaalsContact CA-OH 3.25Å; N179-Y194 WeakPolarHBondContact CA-OH 3.45Å; N179-Y194 PolarHBondContact N-OH 3.03Å; N179-Y194 VanDerWaalsContact N-OH 3.16Å; N179-Y194 WeakPolarHBondContact OD1-CE1 3.36Å; N179-Y194 PolarHBondContact OD1-OH 3.35Å; F182-Y194 HydrophobicContact CD2-CE2 4.4Å; A190-Y194 HydrophobicContact CB-CD2 4.37Å; A190-Y194 HydrophobicContact CB-CE2 3.88Å; A190-Y194 WeakPolarHBondContact O-CD2 3.01Å; A190-Y194 PolarHBondContact O-N 3.49Å; Y194-R196 VanDerWaalsContact C-N 3.34Å; Y194-A197 PolarHBondContact O-N 3.24Å; Y194-L198 PolarHBondContact O-N 3.18Å; Y194-V221 VanDerWaalsContact O-CG1 3.22Å; Y194-V221 WeakPolarHBondContact O-CG1 3.33Å; Y194-N224 HydrophobicContact CD1-CB 3.98Å; Y194-N224 HydrophobicContact CD2-CB 4.12Å; Y194-N224 HydrophobicContact CE1-CB 3.68Å; Y194-N224 VanDerWaalsContact CE1-ND2 3.27Å; Y194-N224 WeakPolarHBondContact CE1-ND2 3.12Å; Y194-N224 HydrophobicContact CE2-CB 3.85Å; Y194-N224 HydrophobicContact CG-CB 4.19Å; Y194-T228 VanDerWaalsContact CE2-OG1 3.29Å; Y194-T228 WeakPolarHBondContact CE2-OG1 3.37Å
195	K	97.5	Very high	91	Very high	89 Å²	89	67.9 Å²	67.9	39%	0.387	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-39	174.3	-81.2	-169	172.7	-169.8	0	112.1	K191 V192 R193 L198 L199 L225 Y229	K191-K195 HydrophobicContact CG-CD 4.48Å; K191-K195 WeakPolarHBondContact O-CB 3.4Å; K191-K195 WeakPolarHBondContact O-CG 3.5Å; K191-K195 PolarHBondContact O-N 2.81Å; V192-K195 PolarHBondContact O-N 2.66Å; R193-K195 VanDerWaalsContact C-N 3.32Å; R193-K195 PolarHBondContact O-N 2.86Å; K195-L198 PolarHBondContact O-N 3.03Å; K195-L199 WeakPolarHBondContact O-CB 3.4Å; K195-L199 PolarHBondContact O-N 2.82Å; K195-L225 HydrophobicContact CG-CD2 3.94Å; K195-Y229 WeakPolarHBondContact CE-OH 3.43Å; K195-Y229 PolarHBondContact NZ-OH 3.44Å
196	R	95.4	Very high	89.6	Confident	97 Å²	97	62.9 Å²	62.9	37%	0.366	30%	0.296	S	S	.	.	H	α-helix	trans	-61	-48.2	174	-171.5	174.7	-172	-165.5	13.3	110.9	C152 E174 V192 R193 Y194 L198 L199 L200	C152-R196 PolarHBondContact SG-NH2 3.27Å; E174-R196 HydrophobicContact CG-CG 4.34Å; E174-R196 IonicContact OE1-CZ 2.93Å; E174-R196 IonicContact OE1-NE 2.57Å; E174-R196 IonicContact OE1-NH1 2.82Å; E174-R196 PolarHBondContact OE1-NH1 2.83Å; V192-R196 PolarHBondContact O-N 3.49Å; R193-R196 WeakPolarHBondContact O-CB 3.37Å; R193-R196 PolarHBondContact O-N 2.78Å; R193-R196 VanDerWaalsContact O-N 3.15Å; Y194-R196 VanDerWaalsContact C-N 3.34Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 3.31Å; R196-L199 WeakPolarHBondContact O-CB 3.46Å; R196-L199 PolarHBondContact O-N 2.86Å; R196-L199 VanDerWaalsContact O-N 3.16Å; R196-L200 WeakPolarHBondContact O-CG 3.41Å; R196-L200 PolarHBondContact O-N 3.38Å
197	A	95.9	Very high	88.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-55.1	-47.3	174.3	0	0	0	0	0	111.8	A171 E174 R193 Y194 L199 L200 L201 V221	A171-A197 HydrophobicContact CB-CB 4.5Å; A171-A197 WeakPolarHBondContact O-CB 3.28Å; E174-A197 HydrophobicContact CB-CB 3.88Å; R193-A197 PolarHBondContact O-N 2.92Å; Y194-A197 PolarHBondContact O-N 3.24Å; A197-L199 VanDerWaalsContact C-N 3.35Å; A197-L199 PolarHBondContact O-N 3.18Å; A197-L200 PolarHBondContact O-N 2.85Å; A197-L201 WeakPolarHBondContact O-CG 3.46Å; A197-L201 PolarHBondContact O-N 3.43Å; A197-V221 HydrophobicContact CB-CG1 4.06Å; A197-V221 HydrophobicContact CB-CG2 4.09Å
198	L	95.8	Very high	87.3	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-35.8	178.8	-174.9	60	0	0	0	112.9	Y194 K195 R196 L201 R202 K218 V221 L222 L225 Y241	Y194-L198 PolarHBondContact O-N 3.18Å; K195-L198 PolarHBondContact O-N 3.03Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 3.31Å; L198-L201 PolarHBondContact O-N 3.04Å; L198-R202 HydrophobicContact CD1-CG 4.43Å; L198-R202 HydrophobicContact CG-CG 4.5Å; L198-R202 WeakPolarHBondContact O-CB 3.38Å; L198-R202 VanDerWaalsContact O-CG 3.32Å; L198-R202 WeakPolarHBondContact O-CG 3.38Å; L198-R202 PolarHBondContact O-N 3.32Å; L198-R202 VanDerWaalsContact O-N 3.1Å; L198-K218 HydrophobicContact CD1-CG 4.2Å; L198-V221 HydrophobicContact CB-CG1 3.96Å; L198-L222 HydrophobicContact CD1-CD2 4Å; L198-L222 HydrophobicContact CD1-CG 4.41Å; L198-L222 HydrophobicContact CD2-CD2 3.89Å; L198-L225 HydrophobicContact CB-CD1 4.28Å; L198-L225 HydrophobicContact CD2-CD1 3.68Å; L198-Y241 HydrophobicContact CD2-CD1 4.43Å; L198-Y241 HydrophobicContact CD2-CE1 3.67Å
199	L	92.9	Very high	86.2	Confident	81 Å²	81	69.5 Å²	69.5	42%	0.424	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-44.9	176.7	-179.4	64.7	0	0	0	111.2	K195 R196 A197 L201 R202 R203	K195-L199 WeakPolarHBondContact O-CB 3.4Å; K195-L199 PolarHBondContact O-N 2.82Å; R196-L199 WeakPolarHBondContact O-CB 3.46Å; R196-L199 PolarHBondContact O-N 2.86Å; R196-L199 VanDerWaalsContact O-N 3.16Å; A197-L199 VanDerWaalsContact C-N 3.35Å; A197-L199 PolarHBondContact O-N 3.18Å; L199-L201 VanDerWaalsContact C-N 3.27Å; L199-L201 PolarHBondContact O-N 3.27Å; L199-R202 PolarHBondContact O-N 3.03Å; L199-R202 VanDerWaalsContact O-N 3.11Å; L199-R203 HydrophobicContact CD1-CG 4.16Å; L199-R203 HydrophobicContact CG-CG 4.43Å; L199-R203 WeakPolarHBondContact O-CG 3.38Å; L199-R203 PolarHBondContact O-N 2.96Å; L199-R203 VanDerWaalsContact O-N 3.08Å
200	L	91.5	Very high	85.7	Confident	19 Å²	19	67.3 Å²	67.3	10%	0.099	34%	0.337	C	S	.	.	H	α-helix	trans	-58.3	-40.7	176.1	-66.3	170.4	0	0	0	111.7	F151 V167 V170 A171 E174 R196 A197 R202	F151-L200 HydrophobicContact CD1-CD2 4.3Å; F151-L200 HydrophobicContact CE1-CD2 3.37Å; F151-L200 HydrophobicContact CZ-CD2 3.63Å; V167-L200 HydrophobicContact CG1-CB 4.32Å; V170-L200 HydrophobicContact CB-CD1 4.43Å; V170-L200 HydrophobicContact CG1-CD1 3.64Å; A171-L200 HydrophobicContact CB-CB 4.4Å; A171-L200 HydrophobicContact CB-CD1 4.47Å; E174-L200 HydrophobicContact CG-CD1 4.38Å; R196-L200 WeakPolarHBondContact O-CG 3.41Å; R196-L200 PolarHBondContact O-N 3.38Å; A197-L200 PolarHBondContact O-N 2.85Å; L200-R202 VanDerWaalsContact C-N 3.31Å; L200-R202 PolarHBondContact O-N 3.19Å
201	L	90.8	Very high	85.1	Confident	6 Å²	6	70.8 Å²	70.8	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-76.1	-13.9	179	-62.7	172.6	0	0	0	114.2	L168 A171 A197 L198 L199 V214 A217 K218 V221	L168-L201 HydrophobicContact CD2-CD2 3.59Å; A171-L201 HydrophobicContact CB-CD1 4.19Å; A171-L201 HydrophobicContact CB-CD2 3.81Å; A171-L201 HydrophobicContact CB-CG 3.82Å; A197-L201 WeakPolarHBondContact O-CG 3.46Å; A197-L201 PolarHBondContact O-N 3.43Å; L198-L201 PolarHBondContact O-N 3.04Å; L199-L201 VanDerWaalsContact C-N 3.27Å; L199-L201 PolarHBondContact O-N 3.27Å; L201-V214 HydrophobicContact CB-CG1 4.42Å; L201-V214 WeakPolarHBondContact O-CG1 3.37Å; L201-A217 HydrophobicContact CD1-CB 4.08Å; L201-A217 HydrophobicContact CD2-CB 3.91Å; L201-K218 HydrophobicContact CB-CG 3.8Å; L201-K218 HydrophobicContact CD1-CB 4.42Å; L201-K218 HydrophobicContact CD1-CG 3.84Å; L201-K218 HydrophobicContact CG-CG 4.42Å; L201-K218 WeakPolarHBondContact O-CE 3.33Å; L201-V221 HydrophobicContact CD1-CG2 4.28Å
202	R	86.4	Confident	84.7	Confident	129 Å²	129	74 Å²	74	49%	0.487	37%	0.369	S	S	.	.	H	α-helix	trans	-97.2	-33.2	179.6	-79.2	177.4	175.2	-179.4	-1.6	113.7	L198 L199 L200 R204	L198-R202 HydrophobicContact CD1-CG 4.43Å; L198-R202 HydrophobicContact CG-CG 4.5Å; L198-R202 WeakPolarHBondContact O-CB 3.38Å; L198-R202 VanDerWaalsContact O-CG 3.32Å; L198-R202 WeakPolarHBondContact O-CG 3.38Å; L198-R202 PolarHBondContact O-N 3.32Å; L198-R202 VanDerWaalsContact O-N 3.1Å; L199-R202 PolarHBondContact O-N 3.03Å; L199-R202 VanDerWaalsContact O-N 3.11Å; L200-R202 VanDerWaalsContact C-N 3.31Å; L200-R202 PolarHBondContact O-N 3.19Å; R202-R204 PolarHBondContact O-N 3.04Å
203	R	72.9	Confident	84.3	Confident	165 Å²	165	72.6 Å²	72.6	62%	0.623	36%	0.358	S	S	*	.	S	Bend	trans	-65	-20.2	-174.1	-79.6	-176.1	175.6	-168.4	-2	113.6	L199	L199-R203 HydrophobicContact CD1-CG 4.16Å; L199-R203 HydrophobicContact CG-CG 4.43Å; L199-R203 WeakPolarHBondContact O-CG 3.38Å; L199-R203 PolarHBondContact O-N 2.96Å; L199-R203 VanDerWaalsContact O-N 3.08Å
204	R	65.6	Low	84.1	Confident	77 Å²	77	69.3 Å²	69.3	29%	0.291	35%	0.346	S	S	.	.	S	Bend	trans	-98.9	120.9	-178.2	-143.9	-169.1	-170.9	135	6.6	111.4	Y162 R202 A206	Y162-R204 PolarHBondContact O-NH1 2.79Å; Y162-R204 PolarHBondContact O-NH2 3.07Å; R202-R204 PolarHBondContact O-N 3.04Å; R204-A206 PolarHBondContact O-N 3.29Å
205	S	61.6	Low	83.8	Confident	121 Å²	121	71.3 Å²	71.3	85%	0.846	36%	0.356	S	S	*	.			trans	-65.5	100.1	155.9	-76.3	0	0	0	0	107.3
206	A	63	Low	83.6	Confident	14 Å²	14	70.2 Å²	70.2	12%	0.116	36%	0.363	C	S	.	.			trans	-69.7	139.3	172.6	0	0	0	0	0	108.5	R204 A210 V214	R204-A206 PolarHBondContact O-N 3.29Å; A206-A210 HydrophobicContact CB-CB 4.46Å; A206-V214 HydrophobicContact CB-CG2 3.96Å
207	P	70.7	Confident	83.6	Confident	85 Å²	85	66.9 Å²	66.9	55%	0.552	36%	0.356	S	S	*	.			trans	-52.1	147.4	163.2	-21.6	31.7	0	0	0	109.5	E209 A210 Q211	P207-E209 PolarHBondContact O-N 3.43Å; P207-A210 PolarHBondContact O-N 3.12Å; P207-Q211 PolarHBondContact O-N 2.88Å
208	S	72.7	Confident	83.6	Confident	118 Å²	118	68.3 Å²	68.3	83%	0.825	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-49.9	-37.4	-175	-174.8	0	0	0	0	112.8	A210 Q211	S208-A210 VanDerWaalsContact C-N 3.34Å; S208-A210 PolarHBondContact O-N 3.37Å; S208-Q211 WeakPolarHBondContact O-CB 3.48Å; S208-Q211 PolarHBondContact O-N 2.89Å
209	E	75.2	Confident	83.7	Confident	171 Å²	171	69.4 Å²	69.4	80%	0.799	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-63.9	-33.1	178.6	-63.2	171.1	-176.6	0	0	113.7	P207 H212	P207-E209 PolarHBondContact O-N 3.43Å; E209-H212 PolarHBondContact O-CE1 3.39Å; E209-H212 PolarHBondContact O-ND1 2.95Å
210	A	83.2	Confident	83.9	Confident	17 Å²	17	67.7 Å²	67.7	14%	0.14	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-98.2	-1.8	-177.1	0	0	0	0	0	113.6	L164 A206 P207 S208 H212 L213 V214	L164-A210 HydrophobicContact CD2-CB 3.6Å; A206-A210 HydrophobicContact CB-CB 4.46Å; P207-A210 PolarHBondContact O-N 3.12Å; S208-A210 VanDerWaalsContact C-N 3.34Å; S208-A210 PolarHBondContact O-N 3.37Å; A210-H212 VanDerWaalsContact C-N 3.26Å; A210-H212 PolarHBondContact O-N 3.38Å; A210-L213 WeakPolarHBondContact O-CB 3.47Å; A210-L213 PolarHBondContact O-N 3.28Å; A210-V214 PolarHBondContact O-N 3.49Å
211	Q	85.9	Confident	84.3	Confident	72 Å²	72	66.9 Å²	66.9	34%	0.336	36%	0.357	S	S	.	.	H	α-helix	trans	-58.3	-40.1	-179.3	-171.4	65.8	28.6	0	0	111.7	P207 S208 L213 V214 E215	P207-Q211 PolarHBondContact O-N 2.88Å; S208-Q211 WeakPolarHBondContact O-CB 3.48Å; S208-Q211 PolarHBondContact O-N 2.89Å; Q211-L213 VanDerWaalsContact C-N 3.3Å; Q211-L213 PolarHBondContact O-N 2.98Å; Q211-V214 PolarHBondContact O-N 3.01Å; Q211-V214 VanDerWaalsContact O-N 3.16Å; Q211-E215 HydrophobicContact CG-CG 4.4Å; Q211-E215 PolarHBondContact NE2-OE1 2.99Å; Q211-E215 WeakPolarHBondContact O-CG 3.49Å; Q211-E215 PolarHBondContact O-N 2.95Å
212	H	88.8	Confident	84.6	Confident	123 Å²	123	66.9 Å²	66.9	57%	0.569	36%	0.357	S	S	*	.	H	α-helix	trans	-60.6	-37.9	179.6	75	-81.4	0	0	0	112.6	E209 A210 E215 A216	E209-H212 PolarHBondContact O-CE1 3.39Å; E209-H212 PolarHBondContact O-ND1 2.95Å; A210-H212 VanDerWaalsContact C-N 3.26Å; A210-H212 PolarHBondContact O-N 3.38Å; H212-E215 PolarHBondContact O-N 3.34Å; H212-A216 VanDerWaalsContact O-CB 3.28Å; H212-A216 WeakPolarHBondContact O-CB 3.48Å; H212-A216 PolarHBondContact O-N 2.92Å
213	L	90.8	Very high	85.2	Confident	60 Å²	60	61.5 Å²	61.5	31%	0.314	34%	0.338	S	S	.	.	H	α-helix	trans	-65.4	-41.3	176.5	-63.3	175.1	0	0	0	111.4	L168 A210 Q211 A216 A217	L168-L213 HydrophobicContact CD1-CB 4.16Å; A210-L213 WeakPolarHBondContact O-CB 3.47Å; A210-L213 PolarHBondContact O-N 3.28Å; Q211-L213 VanDerWaalsContact C-N 3.3Å; Q211-L213 PolarHBondContact O-N 2.98Å; L213-A216 PolarHBondContact O-N 3.5Å; L213-A217 WeakPolarHBondContact O-CB 3.35Å; L213-A217 PolarHBondContact O-N 2.95Å
214	V	91.8	Very high	86.4	Confident	4 Å²	4	55 Å²	55	2%	0.024	32%	0.316	C	S	.	.	H	α-helix	trans	-67.2	-43.7	178.4	174.6	0	0	0	0	110.8	L164 L168 L201 A206 A210 Q211 A217 K218	L164-V214 HydrophobicContact CD1-CG2 4.07Å; L164-V214 HydrophobicContact CD2-CG2 4.38Å; L168-V214 HydrophobicContact CD2-CG2 4.37Å; L201-V214 HydrophobicContact CB-CG1 4.42Å; L201-V214 WeakPolarHBondContact O-CG1 3.37Å; A206-V214 HydrophobicContact CB-CG2 3.96Å; A210-V214 PolarHBondContact O-N 3.49Å; Q211-V214 PolarHBondContact O-N 3.01Å; Q211-V214 VanDerWaalsContact O-N 3.16Å; V214-A217 PolarHBondContact O-N 2.98Å; V214-K218 HydrophobicContact CG1-CD 4.12Å; V214-K218 HydrophobicContact CG1-CG 4.4Å; V214-K218 VanDerWaalsContact O-CG 3.32Å; V214-K218 WeakPolarHBondContact O-CG 3.43Å; V214-K218 PolarHBondContact O-N 3.37Å
215	E	92.3	Very high	88	Confident	46 Å²	46	51.3 Å²	51.3	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-41.5	176.1	-65.3	-49.2	138.9	0	0	112.1	Q211 H212 A217 K218 L219 I248	Q211-E215 HydrophobicContact CG-CG 4.4Å; Q211-E215 PolarHBondContact NE2-OE1 2.99Å; Q211-E215 WeakPolarHBondContact O-CG 3.49Å; Q211-E215 PolarHBondContact O-N 2.95Å; H212-E215 PolarHBondContact O-N 3.34Å; E215-A217 VanDerWaalsContact C-N 3.26Å; E215-A217 PolarHBondContact O-N 3.15Å; E215-K218 PolarHBondContact O-N 3.21Å; E215-K218 VanDerWaalsContact O-N 3.13Å; E215-K218 IonicContact OE1-NZ 3.74Å; E215-K218 PolarHBondContact OE1-NZ 3.2Å; E215-K218 WeakPolarHBondContact OE2-CD 3.29Å; E215-K218 IonicContact OE2-NZ 2.7Å; E215-L219 PolarHBondContact O-N 2.94Å; E215-I248 HydrophobicContact CB-CD1 4.44Å; E215-I248 HydrophobicContact CB-CG1 4.47Å; E215-I248 HydrophobicContact CB-CG2 4.02Å; E215-I248 WeakPolarHBondContact OE2-CD1 3.46Å; E215-I248 VanDerWaalsContact OE2-CG1 3.3Å; E215-I248 WeakPolarHBondContact OE2-CG1 3.46Å
216	A	93.5	Very high	89.8	Confident	65 Å²	65	45.5 Å²	45.5	54%	0.537	26%	0.262	S	S	.	.	H	α-helix	trans	-58.8	-37.5	173.3	0	0	0	0	0	112.1	H212 L213 P220	H212-A216 VanDerWaalsContact O-CB 3.28Å; H212-A216 WeakPolarHBondContact O-CB 3.48Å; H212-A216 PolarHBondContact O-N 2.92Å; L213-A216 PolarHBondContact O-N 3.5Å; A216-P220 WeakPolarHBondContact O-CD 3.15Å
217	A	95.1	Very high	91.5	Very high	27 Å²	27	47.5 Å²	47.5	22%	0.223	27%	0.268	C	S	.	.	H	α-helix	trans	-74.8	-33.4	175.1	0	0	0	0	0	113.4	L168 L201 L213 V214 E215 P220	L168-A217 HydrophobicContact CD2-CB 3.83Å; L201-A217 HydrophobicContact CD1-CB 4.08Å; L201-A217 HydrophobicContact CD2-CB 3.91Å; L213-A217 WeakPolarHBondContact O-CB 3.35Å; L213-A217 PolarHBondContact O-N 2.95Å; V214-A217 PolarHBondContact O-N 2.98Å; E215-A217 VanDerWaalsContact C-N 3.26Å; E215-A217 PolarHBondContact O-N 3.15Å; A217-P220 WeakPolarHBondContact O-CD 3.41Å; A217-P220 WeakPolarHBondContact O-CG 3.49Å
218	K	96	Very high	92.8	Very high	30 Å²	30	43.5 Å²	43.5	13%	0.13	24%	0.241	C	C	.	.	H	α-helix	trans	-68.3	-41.4	177.4	-77.8	170.2	-178.9	166.7	0	111.9	L198 L201 V214 E215 V221 L222 I248	L198-K218 HydrophobicContact CD1-CG 4.2Å; L201-K218 HydrophobicContact CB-CG 3.8Å; L201-K218 HydrophobicContact CD1-CB 4.42Å; L201-K218 HydrophobicContact CD1-CG 3.84Å; L201-K218 HydrophobicContact CG-CG 4.42Å; L201-K218 WeakPolarHBondContact O-CE 3.33Å; V214-K218 HydrophobicContact CG1-CD 4.12Å; V214-K218 HydrophobicContact CG1-CG 4.4Å; V214-K218 VanDerWaalsContact O-CG 3.32Å; V214-K218 WeakPolarHBondContact O-CG 3.43Å; V214-K218 PolarHBondContact O-N 3.37Å; E215-K218 PolarHBondContact O-N 3.21Å; E215-K218 VanDerWaalsContact O-N 3.13Å; E215-K218 IonicContact OE1-NZ 3.74Å; E215-K218 PolarHBondContact OE1-NZ 3.2Å; E215-K218 WeakPolarHBondContact OE2-CD 3.29Å; E215-K218 IonicContact OE2-NZ 2.7Å; K218-V221 WeakPolarHBondContact O-CA 3.41Å; K218-V221 WeakPolarHBondContact O-CB 3.4Å; K218-V221 PolarHBondContact O-N 2.97Å; K218-L222 HydrophobicContact CB-CD1 4.23Å; K218-L222 WeakPolarHBondContact O-CG 3.44Å; K218-L222 PolarHBondContact O-N 3.34Å; K218-I248 HydrophobicContact CB-CD1 3.94Å
219	L	97.2	Very high	94	Very high	28 Å²	28	38.5 Å²	38.5	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-48.8	-55.3	-175.2	-179.7	60.8	0	0	0	113.6	E215 V221 L222 L223 A245 I248 D249	E215-L219 PolarHBondContact O-N 2.94Å; L219-V221 VanDerWaalsContact C-N 3.28Å; L219-V221 PolarHBondContact O-N 2.73Å; L219-L222 PolarHBondContact O-N 3.11Å; L219-L223 HydrophobicContact CD1-CD1 4.25Å; L219-L223 HydrophobicContact CD1-CG 4.28Å; L219-L223 HydrophobicContact CG-CD1 4.2Å; L219-L223 WeakPolarHBondContact O-CB 3.45Å; L219-L223 VanDerWaalsContact O-CG 3.27Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3.4Å; L219-A245 HydrophobicContact CD1-CB 3.81Å; L219-I248 HydrophobicContact CB-CD1 4.41Å; L219-I248 HydrophobicContact CB-CG2 4.24Å; L219-I248 HydrophobicContact CD1-CB 4.41Å; L219-D249 HydrophobicContact CD1-CB 4.34Å; L219-D249 HydrophobicContact CD2-CB 3.98Å
220	P	98.1	Very high	95.1	Very high	44 Å²	44	31.4 Å²	31.4	29%	0.286	17%	0.172	S	C	.	.	H	α-helix	trans	-64.7	-30.2	178.9	26.4	-35.7	0	0	0	113.2	A216 A217 N224	A216-P220 WeakPolarHBondContact O-CD 3.15Å; A217-P220 WeakPolarHBondContact O-CD 3.41Å; A217-P220 WeakPolarHBondContact O-CG 3.49Å; P220-N224 WeakPolarHBondContact O-CB 3.33Å; P220-N224 PolarHBondContact O-N 3.32Å
221	V	98.2	Very high	95.8	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-70.2	-44.4	176.4	-178.3	0	0	0	0	111.1	R175 Y194 A197 L198 L201 K218 L219 N224 L225	R175-V221 HydrophobicContact CB-CG2 4.19Å; R175-V221 HydrophobicContact CG-CG2 4.13Å; Y194-V221 VanDerWaalsContact O-CG1 3.22Å; Y194-V221 WeakPolarHBondContact O-CG1 3.33Å; A197-V221 HydrophobicContact CB-CG1 4.06Å; A197-V221 HydrophobicContact CB-CG2 4.09Å; L198-V221 HydrophobicContact CB-CG1 3.96Å; L201-V221 HydrophobicContact CD1-CG2 4.28Å; K218-V221 WeakPolarHBondContact O-CA 3.41Å; K218-V221 WeakPolarHBondContact O-CB 3.4Å; K218-V221 PolarHBondContact O-N 2.97Å; L219-V221 VanDerWaalsContact C-N 3.28Å; L219-V221 PolarHBondContact O-N 2.73Å; V221-N224 PolarHBondContact O-N 3.29Å; V221-L225 HydrophobicContact CG1-CD1 4.16Å; V221-L225 WeakPolarHBondContact O-CG 3.18Å; V221-L225 PolarHBondContact O-N 3.34Å
222	L	98.5	Very high	96.4	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-44.2	176.9	-68.4	169.9	0	0	0	111.4	L198 K218 L219 N224 L225 S226 Y241 Q244 A245 I248	L198-L222 HydrophobicContact CD1-CD2 4Å; L198-L222 HydrophobicContact CD1-CG 4.41Å; L198-L222 HydrophobicContact CD2-CD2 3.89Å; K218-L222 HydrophobicContact CB-CD1 4.23Å; K218-L222 WeakPolarHBondContact O-CG 3.44Å; K218-L222 PolarHBondContact O-N 3.34Å; L219-L222 PolarHBondContact O-N 3.11Å; L222-N224 VanDerWaalsContact C-N 3.34Å; L222-N224 PolarHBondContact O-N 3.38Å; L222-L225 PolarHBondContact O-N 3.17Å; L222-S226 WeakPolarHBondContact O-CB 3.43Å; L222-S226 PolarHBondContact O-N 3.26Å; L222-Y241 HydrophobicContact CD2-CD1 3.67Å; L222-Y241 HydrophobicContact CD2-CE1 4.24Å; L222-Q244 HydrophobicContact CD1-CB 4.07Å; L222-Q244 HydrophobicContact CD2-CB 4.1Å; L222-A245 HydrophobicContact CB-CB 4.05Å; L222-I248 HydrophobicContact CD1-CD1 3.58Å
223	L	98.5	Very high	96.8	Very high	16 Å²	16	34.1 Å²	34.1	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-54	-51.7	172.2	-79.4	178.9	0	0	0	110.8	L219 L225 S226 F227 A245 K254 A255 R258	L219-L223 HydrophobicContact CD1-CD1 4.25Å; L219-L223 HydrophobicContact CD1-CG 4.28Å; L219-L223 HydrophobicContact CG-CD1 4.2Å; L219-L223 WeakPolarHBondContact O-CB 3.45Å; L219-L223 VanDerWaalsContact O-CG 3.27Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3.4Å; L223-L225 PolarHBondContact O-N 2.89Å; L223-S226 PolarHBondContact O-N 2.93Å; L223-F227 PolarHBondContact O-N 3.39Å; L223-A245 HydrophobicContact CD2-CB 4.18Å; L223-A245 HydrophobicContact CG-CB 4.33Å; L223-K254 HydrophobicContact CD2-CB 4.08Å; L223-A255 HydrophobicContact CD2-CB 3.69Å; L223-R258 VanDerWaalsContact CB-NH1 3.26Å; L223-R258 PolarHBondContact O-NH1 3.28Å
224	N	98.6	Very high	97.2	Very high	28 Å²	28	38.7 Å²	38.7	15%	0.15	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-40.2	179.2	-76.3	-6.6	0	0	0	112.9	N179 Y194 P220 V221 L222 F227 T228	N179-N224 PolarHBondContact OD1-ND2 3.16Å; Y194-N224 HydrophobicContact CD1-CB 3.98Å; Y194-N224 HydrophobicContact CD2-CB 4.12Å; Y194-N224 HydrophobicContact CE1-CB 3.68Å; Y194-N224 VanDerWaalsContact CE1-ND2 3.27Å; Y194-N224 WeakPolarHBondContact CE1-ND2 3.12Å; Y194-N224 HydrophobicContact CE2-CB 3.85Å; Y194-N224 HydrophobicContact CG-CB 4.19Å; P220-N224 WeakPolarHBondContact O-CB 3.33Å; P220-N224 PolarHBondContact O-N 3.32Å; V221-N224 PolarHBondContact O-N 3.29Å; L222-N224 VanDerWaalsContact C-N 3.34Å; L222-N224 PolarHBondContact O-N 3.38Å; N224-F227 PolarHBondContact O-N 3.06Å; N224-T228 VanDerWaalsContact O-CB 3.31Å; N224-T228 WeakPolarHBondContact O-CB 3.3Å; N224-T228 PolarHBondContact O-N 3.26Å; N224-T228 PolarHBondContact O-OG1 3.37Å
225	L	98.6	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-47.6	174.8	-79.9	166.4	0	0	0	111.7	K195 L198 V221 L222 L223 F227 T228 Y229 Y241	K195-L225 HydrophobicContact CG-CD2 3.94Å; L198-L225 HydrophobicContact CB-CD1 4.28Å; L198-L225 HydrophobicContact CD2-CD1 3.68Å; V221-L225 HydrophobicContact CG1-CD1 4.16Å; V221-L225 WeakPolarHBondContact O-CG 3.18Å; V221-L225 PolarHBondContact O-N 3.34Å; L222-L225 PolarHBondContact O-N 3.17Å; L223-L225 PolarHBondContact O-N 2.89Å; L225-F227 VanDerWaalsContact C-N 3.3Å; L225-F227 PolarHBondContact O-N 3.16Å; L225-T228 PolarHBondContact O-N 2.89Å; L225-Y229 HydrophobicContact CD2-CE2 4.18Å; L225-Y229 VanDerWaalsContact O-CD2 3.25Å; L225-Y229 WeakPolarHBondContact O-CD2 3.32Å; L225-Y229 PolarHBondContact O-N 3.36Å; L225-Y241 HydrophobicContact CB-CD1 4.19Å; L225-Y241 HydrophobicContact CB-CD2 3.97Å; L225-Y241 HydrophobicContact CB-CE1 4.49Å; L225-Y241 HydrophobicContact CB-CE2 4.29Å; L225-Y241 HydrophobicContact CB-CG 3.91Å; L225-Y241 HydrophobicContact CD1-CD1 4.12Å; L225-Y241 HydrophobicContact CD1-CE1 3.76Å
226	S	98.6	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-54.4	-49.2	176.7	178.2	0	0	0	0	110.7	L222 L223 T228 Y229 L230 A238	L222-S226 WeakPolarHBondContact O-CB 3.43Å; L222-S226 PolarHBondContact O-N 3.26Å; L223-S226 PolarHBondContact O-N 2.93Å; S226-T228 PolarHBondContact O-N 3.21Å; S226-Y229 PolarHBondContact O-N 3.36Å; S226-L230 PolarHBondContact O-N 3.11Å; S226-A238 WeakPolarHBondContact CB-O 3.26Å; S226-A238 WeakPolarHBondContact O-CB 3.43Å; S226-A238 PolarHBondContact OG-O 2.95Å
227	F	98.6	Very high	98	Very high	56 Å²	56	40.7 Å²	40.7	25%	0.246	21%	0.205	C	C	.	.	H	α-helix	trans	-66.6	-39.6	178.7	-168.3	-143.5	0	0	0	113.5	F182 L223 N224 L225 Y229 L230 K231	F182-F227 AromaticContact CE1-CD1 3.92Å; F182-F227 HydrophobicContact CE1-CD1 3.92Å; F182-F227 AromaticContact CE1-CE1 3.6Å; F182-F227 HydrophobicContact CE1-CE1 3.6Å; F182-F227 AromaticContact CE2-CD1 3.89Å; F182-F227 HydrophobicContact CE2-CD1 3.89Å; F182-F227 HydrophobicContact CE2-CE1 4.31Å; F182-F227 HydrophobicContact CE2-CG 4.48Å; F182-F227 AromaticContact CZ-CD1 3.26Å; F182-F227 HydrophobicContact CZ-CD1 3.26Å; F182-F227 AromaticContact CZ-CE1 3.26Å; F182-F227 HydrophobicContact CZ-CE1 3.26Å; F182-F227 HydrophobicContact CZ-CG 4.11Å; F182-F227 HydrophobicContact CZ-CZ 4.09Å; L223-F227 PolarHBondContact O-N 3.39Å; N224-F227 PolarHBondContact O-N 3.06Å; L225-F227 VanDerWaalsContact C-N 3.3Å; L225-F227 PolarHBondContact O-N 3.16Å; F227-Y229 VanDerWaalsContact C-N 3.29Å; F227-Y229 PolarHBondContact O-N 2.87Å; F227-L230 HydrophobicContact CD2-CD1 4.38Å; F227-L230 WeakPolarHBondContact O-CB 3.38Å; F227-L230 PolarHBondContact O-N 2.91Å; F227-K231 HydrophobicContact CE2-CG 4.47Å; F227-K231 VanDerWaalsContact CZ-CE 3.47Å; F227-K231 PolarHBondContact O-N 3.08Å
228	T	98.6	Very high	98.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-39.6	176.6	-55.8	0	0	0	0	111.2	F182 F187 K191 Y194 N224 L225 S226 K231 L232	F182-T228 WeakPolarHBondContact CD2-OG1 3.37Å; F187-T228 HydrophobicContact CB-CG2 4.13Å; F187-T228 VanDerWaalsContact O-CG2 3.23Å; F187-T228 WeakPolarHBondContact O-CG2 3.47Å; K191-T228 HydrophobicContact CB-CG2 3.91Å; Y194-T228 VanDerWaalsContact CE2-OG1 3.29Å; Y194-T228 WeakPolarHBondContact CE2-OG1 3.37Å; N224-T228 VanDerWaalsContact O-CB 3.31Å; N224-T228 WeakPolarHBondContact O-CB 3.3Å; N224-T228 PolarHBondContact O-N 3.26Å; N224-T228 PolarHBondContact O-OG1 3.37Å; L225-T228 PolarHBondContact O-N 2.89Å; S226-T228 PolarHBondContact O-N 3.21Å; T228-K231 PolarHBondContact O-N 2.93Å; T228-L232 HydrophobicContact CG2-CD1 4.08Å; T228-L232 VanDerWaalsContact O-CG 3.28Å; T228-L232 WeakPolarHBondContact O-CG 3.4Å; T228-L232 PolarHBondContact O-N 3.17Å
229	Y	98.6	Very high	98.3	Very high	14 Å²	14	38.7 Å²	38.7	6%	0.055	19%	0.192	C	C	.	.	H	α-helix	trans	-72.5	-29.2	176.8	-82.9	-68.2	0	0	0	113.6	K191 K195 L225 S226 F227 L232 D233 R234 I237 Y241	K191-Y229 HydrophobicContact CD-CE1 4.01Å; K191-Y229 HydrophobicContact CD-CE2 4.49Å; K191-Y229 HydrophobicContact CG-CE2 4.17Å; K195-Y229 WeakPolarHBondContact CE-OH 3.43Å; K195-Y229 PolarHBondContact NZ-OH 3.44Å; L225-Y229 HydrophobicContact CD2-CE2 4.18Å; L225-Y229 VanDerWaalsContact O-CD2 3.25Å; L225-Y229 WeakPolarHBondContact O-CD2 3.32Å; L225-Y229 PolarHBondContact O-N 3.36Å; S226-Y229 PolarHBondContact O-N 3.36Å; F227-Y229 VanDerWaalsContact C-N 3.29Å; F227-Y229 PolarHBondContact O-N 2.87Å; Y229-L232 HydrophobicContact CD1-CD1 4.36Å; Y229-L232 CarbonylContact O-C 3.48Å; Y229-L232 PolarHBondContact O-N 3.06Å; Y229-D233 PolarHBondContact O-N 3.21Å; Y229-R234 HydrophobicContact CD1-CB 3.81Å; Y229-R234 HydrophobicContact CD1-CG 4.24Å; Y229-R234 PolarHBondContact O-N 2.81Å; Y229-I237 HydrophobicContact CD1-CB 4.05Å; Y229-I237 HydrophobicContact CD1-CD1 4.34Å; Y229-I237 HydrophobicContact CD1-CG2 3.89Å; Y229-I237 HydrophobicContact CD2-CB 4.45Å; Y229-I237 HydrophobicContact CD2-CG2 3.62Å; Y229-I237 HydrophobicContact CE1-CB 4.27Å; Y229-I237 HydrophobicContact CE1-CD1 3.93Å; Y229-I237 HydrophobicContact CE1-CG2 3.83Å; Y229-I237 HydrophobicContact CE2-CG2 3.61Å; Y229-I237 HydrophobicContact CG-CB 4.1Å; Y229-I237 HydrophobicContact CG-CG2 3.75Å; Y229-Y241 AromaticContact CD2-CD2 3.77Å; Y229-Y241 HydrophobicContact CD2-CD2 3.77Å; Y229-Y241 AromaticContact CD2-CE2 3.76Å; Y229-Y241 HydrophobicContact CD2-CE2 3.76Å; Y229-Y241 AromaticContact CE2-CD2 3.96Å; Y229-Y241 HydrophobicContact CE2-CD2 3.96Å; Y229-Y241 AromaticContact CE2-CE2 3.42Å; Y229-Y241 HydrophobicContact CE2-CE2 3.42Å; Y229-Y241 VanDerWaalsContact CE2-CE2 3.42Å
230	L	98.2	Very high	98.3	Very high	22 Å²	22	45.4 Å²	45.4	12%	0.115	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-45.1	166.8	-71.4	173.1	0	0	0	111.1	S226 F227 L232 D233 A238 R258 Q261 A262 L265	S226-L230 PolarHBondContact O-N 3.11Å; F227-L230 HydrophobicContact CD2-CD1 4.38Å; F227-L230 WeakPolarHBondContact O-CB 3.38Å; F227-L230 PolarHBondContact O-N 2.91Å; L230-L232 PolarHBondContact O-N 3.1Å; L230-D233 PolarHBondContact O-N 3.44Å; L230-D233 VanDerWaalsContact O-N 3.12Å; L230-A238 HydrophobicContact CD2-CB 3.82Å; L230-A238 HydrophobicContact CG-CB 3.77Å; L230-R258 HydrophobicContact CD1-CB 3.92Å; L230-R258 HydrophobicContact CD1-CG 4Å; L230-Q261 HydrophobicContact CD1-CB 4.1Å; L230-Q261 HydrophobicContact CD2-CB 4.35Å; L230-A262 HydrophobicContact CD2-CB 3.92Å; L230-L265 HydrophobicContact CD2-CD1 4.04Å
231	K	98.2	Very high	98.4	Very high	110 Å²	110	44.7 Å²	44.7	48%	0.478	21%	0.207	S	C	.	.	H	α-helix	trans	-66.5	-21.7	176.7	-66	-60.6	-176.7	-177.1	0	114	F182 F187 F227 T228	F182-K231 HydrophobicContact CE2-CG 4.2Å; F182-K231 HydrophobicContact CZ-CG 3.87Å; F187-K231 HydrophobicContact CD1-CB 3.88Å; F187-K231 HydrophobicContact CD1-CG 4.23Å; F187-K231 HydrophobicContact CD2-CB 3.89Å; F187-K231 HydrophobicContact CE1-CB 3.99Å; F187-K231 HydrophobicContact CE1-CG 3.93Å; F187-K231 HydrophobicContact CE2-CB 3.99Å; F187-K231 HydrophobicContact CE2-CG 4.48Å; F187-K231 HydrophobicContact CG-CB 3.84Å; F187-K231 HydrophobicContact CZ-CB 4.04Å; F187-K231 HydrophobicContact CZ-CD 4.28Å; F187-K231 HydrophobicContact CZ-CG 4.07Å; F227-K231 HydrophobicContact CE2-CG 4.47Å; F227-K231 VanDerWaalsContact CZ-CE 3.47Å; F227-K231 PolarHBondContact O-N 3.08Å; T228-K231 PolarHBondContact O-N 2.93Å
232	L	97.9	Very high	98.4	Very high	44 Å²	44	44.6 Å²	44.6	23%	0.23	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	7.6	175.6	-69.4	172	0	0	0	113.3	F187 K191 T228 Y229 L230 R234	F187-L232 HydrophobicContact CB-CD1 4.43Å; F187-L232 HydrophobicContact CB-CD2 3.67Å; F187-L232 HydrophobicContact CB-CG 3.86Å; K191-L232 HydrophobicContact CB-CD1 4.38Å; K191-L232 HydrophobicContact CD-CD1 4.09Å; T228-L232 HydrophobicContact CG2-CD1 4.08Å; T228-L232 VanDerWaalsContact O-CG 3.28Å; T228-L232 WeakPolarHBondContact O-CG 3.4Å; T228-L232 PolarHBondContact O-N 3.17Å; Y229-L232 HydrophobicContact CD1-CD1 4.36Å; Y229-L232 CarbonylContact O-C 3.48Å; Y229-L232 PolarHBondContact O-N 3.06Å; L230-L232 PolarHBondContact O-N 3.1Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 HydrophobicContact CB-CG 4.48Å; L232-R234 PolarHBondContact O-N 2.72Å
233	D	97.6	Very high	98.3	Very high	114 Å²	114	48.2 Å²	48.2	61%	0.61	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	42.8	-178.3	-162.3	35.7	0	0	0	113.4	Y229 L230 P235	Y229-D233 PolarHBondContact O-N 3.21Å; L230-D233 PolarHBondContact O-N 3.44Å; L230-D233 VanDerWaalsContact O-N 3.12Å; D233-P235 WeakPolarHBondContact O-CD 3.45Å
234	R	98.3	Very high	98.3	Very high	156 Å²	156	50.1 Å²	50.1	59%	0.589	23%	0.231	S	C	*	.			trans	-120.5	68.8	175	-60.2	-62.3	-176.1	162	0.2	109.9	Y229 L232 T236 I237 A238	Y229-R234 HydrophobicContact CD1-CB 3.81Å; Y229-R234 HydrophobicContact CD1-CG 4.24Å; Y229-R234 PolarHBondContact O-N 2.81Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 HydrophobicContact CB-CG 4.48Å; L232-R234 PolarHBondContact O-N 2.72Å; R234-T236 VanDerWaalsContact C-N 3.32Å; R234-T236 PolarHBondContact O-N 3.48Å; R234-I237 HydrophobicContact CB-CB 4.47Å; R234-I237 HydrophobicContact CB-CD1 4.32Å; R234-I237 PolarHBondContact O-N 3.14Å; R234-A238 PolarHBondContact O-N 2.96Å
235	P	98.1	Very high	98.3	Very high	18 Å²	18	48.8 Å²	48.8	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-33	-170	25.4	-35.5	0	0	0	113.5	D233 I237 A238 L239 A262 L265 L266	D233-P235 WeakPolarHBondContact O-CD 3.45Å; P235-I237 VanDerWaalsContact C-N 3.33Å; P235-I237 PolarHBondContact O-N 3.32Å; P235-A238 PolarHBondContact O-N 3.48Å; P235-L239 WeakPolarHBondContact O-CB 3.37Å; P235-L239 PolarHBondContact O-N 2.82Å; P235-A262 HydrophobicContact CB-CB 4.32Å; P235-L265 HydrophobicContact CB-CB 3.75Å; P235-L265 HydrophobicContact CB-CD1 4.1Å; P235-L265 HydrophobicContact CG-CB 3.95Å; P235-L266 HydrophobicContact CB-CD1 4.47Å; P235-L266 HydrophobicContact CB-CD2 4.17Å; P235-L266 HydrophobicContact CB-CG 3.97Å; P235-L266 HydrophobicContact CG-CD2 3.76Å; P235-L266 HydrophobicContact CG-CG 4.08Å
236	T	98.4	Very high	98.3	Very high	82 Å²	82	49.7 Å²	49.7	50%	0.503	23%	0.229	S	C	.	.	H	α-helix	trans	-58.8	-43	175.4	54.2	0	0	0	0	112.6	R234 R240 L266	R234-T236 VanDerWaalsContact C-N 3.32Å; R234-T236 PolarHBondContact O-N 3.48Å; T236-R240 WeakPolarHBondContact O-CG 3.47Å; T236-R240 PolarHBondContact O-N 3.46Å; T236-L266 HydrophobicContact CG2-CD1 4.35Å; T236-L266 HydrophobicContact CG2-CD2 3.61Å
237	I	98.3	Very high	98.2	Very high	58 Å²	58	56.5 Å²	56.5	30%	0.297	26%	0.264	S	S	.	.	H	α-helix	trans	-74.8	-38.8	179.1	-56.1	176.6	0	0	0	110.1	Y229 R234 P235 L239 R240 Y241	Y229-I237 HydrophobicContact CD1-CB 4.05Å; Y229-I237 HydrophobicContact CD1-CD1 4.34Å; Y229-I237 HydrophobicContact CD1-CG2 3.89Å; Y229-I237 HydrophobicContact CD2-CB 4.45Å; Y229-I237 HydrophobicContact CD2-CG2 3.62Å; Y229-I237 HydrophobicContact CE1-CB 4.27Å; Y229-I237 HydrophobicContact CE1-CD1 3.93Å; Y229-I237 HydrophobicContact CE1-CG2 3.83Å; Y229-I237 HydrophobicContact CE2-CG2 3.61Å; Y229-I237 HydrophobicContact CG-CB 4.1Å; Y229-I237 HydrophobicContact CG-CG2 3.75Å; R234-I237 HydrophobicContact CB-CB 4.47Å; R234-I237 HydrophobicContact CB-CD1 4.32Å; R234-I237 PolarHBondContact O-N 3.14Å; P235-I237 VanDerWaalsContact C-N 3.33Å; P235-I237 PolarHBondContact O-N 3.32Å; I237-L239 VanDerWaalsContact C-N 3.33Å; I237-L239 PolarHBondContact O-N 3.44Å; I237-R240 PolarHBondContact O-N 2.75Å; I237-Y241 HydrophobicContact CG2-CD2 3.77Å; I237-Y241 HydrophobicContact CG2-CE2 3.55Å; I237-Y241 WeakPolarHBondContact O-CD2 3.47Å; I237-Y241 PolarHBondContact O-N 2.72Å
238	A	98.5	Very high	98	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-44.1	176.3	0	0	0	0	0	112.3	S226 L230 R234 P235 Y241 G242 A262	S226-A238 WeakPolarHBondContact CB-O 3.26Å; S226-A238 WeakPolarHBondContact O-CB 3.43Å; S226-A238 PolarHBondContact OG-O 2.95Å; L230-A238 HydrophobicContact CD2-CB 3.82Å; L230-A238 HydrophobicContact CG-CB 3.77Å; R234-A238 PolarHBondContact O-N 2.96Å; P235-A238 PolarHBondContact O-N 3.48Å; A238-Y241 PolarHBondContact O-N 3.29Å; A238-G242 PolarHBondContact O-N 3.5Å; A238-A262 HydrophobicContact CB-CB 4.34Å
239	L	98.5	Very high	97.9	Very high	15 Å²	15	59 Å²	59	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-49.8	176.6	-179	58.9	0	0	0	110.9	P235 I237 Y241 G242 E243 C259 A262 L266 F275	P235-L239 WeakPolarHBondContact O-CB 3.37Å; P235-L239 PolarHBondContact O-N 2.82Å; I237-L239 VanDerWaalsContact C-N 3.33Å; I237-L239 PolarHBondContact O-N 3.44Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.26Å; L239-G242 CarbonylContact O-C 3.58Å; L239-G242 WeakPolarHBondContact O-CA 3.16Å; L239-G242 PolarHBondContact O-N 3.44Å; L239-E243 HydrophobicContact CD1-CG 4.11Å; L239-E243 HydrophobicContact CG-CG 4.36Å; L239-E243 WeakPolarHBondContact O-CG 3.42Å; L239-E243 PolarHBondContact O-N 2.83Å; L239-C259 HydrophobicContact CD1-CB 3.72Å; L239-A262 HydrophobicContact CB-CB 3.87Å; L239-L266 HydrophobicContact CD2-CD1 4.13Å; L239-F275 HydrophobicContact CD1-CE2 4.06Å; L239-F275 HydrophobicContact CD1-CZ 4.47Å
240	R	98.4	Very high	97.8	Very high	169 Å²	169	65 Å²	65	64%	0.638	31%	0.308	S	S	*	.	H	α-helix	trans	-56.5	-41.7	179.2	-71.9	-179	70.4	-178.7	4.2	113.3	T236 I237 Q244	T236-R240 WeakPolarHBondContact O-CG 3.47Å; T236-R240 PolarHBondContact O-N 3.46Å; I237-R240 PolarHBondContact O-N 2.75Å; R240-Q244 VanDerWaalsContact O-CG 3.32Å; R240-Q244 WeakPolarHBondContact O-CG 3.01Å; R240-Q244 PolarHBondContact O-N 3.16Å
241	Y	98.6	Very high	97.8	Very high	28 Å²	28	70.5 Å²	70.5	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-72.1	-34.6	176.5	-77.4	-61.3	0	0	0	112.5	L198 L222 L225 Y229 I237 A238 L239 Q244 A245	L198-Y241 HydrophobicContact CD2-CD1 4.43Å; L198-Y241 HydrophobicContact CD2-CE1 3.67Å; L222-Y241 HydrophobicContact CD2-CD1 3.67Å; L222-Y241 HydrophobicContact CD2-CE1 4.24Å; L225-Y241 HydrophobicContact CB-CD1 4.19Å; L225-Y241 HydrophobicContact CB-CD2 3.97Å; L225-Y241 HydrophobicContact CB-CE1 4.49Å; L225-Y241 HydrophobicContact CB-CE2 4.29Å; L225-Y241 HydrophobicContact CB-CG 3.91Å; L225-Y241 HydrophobicContact CD1-CD1 4.12Å; L225-Y241 HydrophobicContact CD1-CE1 3.76Å; Y229-Y241 AromaticContact CD2-CD2 3.77Å; Y229-Y241 HydrophobicContact CD2-CD2 3.77Å; Y229-Y241 AromaticContact CD2-CE2 3.76Å; Y229-Y241 HydrophobicContact CD2-CE2 3.76Å; Y229-Y241 AromaticContact CE2-CD2 3.96Å; Y229-Y241 HydrophobicContact CE2-CD2 3.96Å; Y229-Y241 AromaticContact CE2-CE2 3.42Å; Y229-Y241 HydrophobicContact CE2-CE2 3.42Å; Y229-Y241 VanDerWaalsContact CE2-CE2 3.42Å; I237-Y241 HydrophobicContact CG2-CD2 3.77Å; I237-Y241 HydrophobicContact CG2-CE2 3.55Å; I237-Y241 WeakPolarHBondContact O-CD2 3.47Å; I237-Y241 PolarHBondContact O-N 2.72Å; A238-Y241 PolarHBondContact O-N 3.29Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.26Å; Y241-Q244 PolarHBondContact O-N 2.82Å; Y241-A245 PolarHBondContact O-N 2.76Å
242	G	98.3	Very high	97.7	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-44.8	173.7	0	0	0	0	0	112	A238 L239 Q244 A245 L246 C259	A238-G242 PolarHBondContact O-N 3.5Å; L239-G242 CarbonylContact O-C 3.58Å; L239-G242 WeakPolarHBondContact O-CA 3.16Å; L239-G242 PolarHBondContact O-N 3.44Å; G242-Q244 PolarHBondContact O-N 3.2Å; G242-A245 WeakPolarHBondContact O-CB 3.46Å; G242-A245 PolarHBondContact O-N 3.07Å; G242-A245 VanDerWaalsContact O-N 3.1Å; G242-L246 WeakPolarHBondContact O-CG 3.4Å; G242-L246 PolarHBondContact O-N 3.42Å; G242-C259 VanDerWaalsContact CA-SG 3.54Å
243	E	98.2	Very high	97.7	Very high	82 Å²	82	64.8 Å²	64.8	38%	0.383	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-40.8	174.5	-70	174.4	153.7	0	0	111.8	L239 A245 L246 I247 F275	L239-E243 HydrophobicContact CD1-CG 4.11Å; L239-E243 HydrophobicContact CG-CG 4.36Å; L239-E243 WeakPolarHBondContact O-CG 3.42Å; L239-E243 PolarHBondContact O-N 2.83Å; E243-A245 VanDerWaalsContact C-N 3.28Å; E243-A245 PolarHBondContact O-N 3.15Å; E243-L246 WeakPolarHBondContact O-CB 3.3Å; E243-L246 PolarHBondContact O-N 3.39Å; E243-I247 WeakPolarHBondContact O-CG1 3.23Å; E243-I247 PolarHBondContact O-N 2.89Å; E243-F275 HydrophobicContact CG-CZ 4.47Å
244	Q	97.9	Very high	97.7	Very high	56 Å²	56	65.4 Å²	65.4	26%	0.262	31%	0.305	S	S	.	.	H	α-helix	trans	-60	-38.4	172.2	-76.4	175.2	24.3	0	0	112.4	L222 R240 Y241 G242 L246 I247	L222-Q244 HydrophobicContact CD1-CB 4.07Å; L222-Q244 HydrophobicContact CD2-CB 4.1Å; R240-Q244 VanDerWaalsContact O-CG 3.32Å; R240-Q244 WeakPolarHBondContact O-CG 3.01Å; R240-Q244 PolarHBondContact O-N 3.16Å; Y241-Q244 PolarHBondContact O-N 2.82Å; G242-Q244 PolarHBondContact O-N 3.2Å; Q244-L246 VanDerWaalsContact C-N 3.32Å; Q244-I247 PolarHBondContact O-N 2.78Å
245	A	97.9	Very high	97.7	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-35.6	173.6	0	0	0	0	0	111.8	L219 L222 L223 Y241 G242 E243 I247 I248 D249 A255	L219-A245 HydrophobicContact CD1-CB 3.81Å; L222-A245 HydrophobicContact CB-CB 4.05Å; L223-A245 HydrophobicContact CD2-CB 4.18Å; L223-A245 HydrophobicContact CG-CB 4.33Å; Y241-A245 PolarHBondContact O-N 2.76Å; G242-A245 WeakPolarHBondContact O-CB 3.46Å; G242-A245 PolarHBondContact O-N 3.07Å; G242-A245 VanDerWaalsContact O-N 3.1Å; E243-A245 VanDerWaalsContact C-N 3.28Å; E243-A245 PolarHBondContact O-N 3.15Å; A245-I247 VanDerWaalsContact C-N 3.35Å; A245-I248 PolarHBondContact O-N 2.85Å; A245-D249 PolarHBondContact O-N 2.87Å; A245-A255 HydrophobicContact CB-CB 3.95Å
246	L	97.8	Very high	97.7	Very high	19 Å²	19	57.2 Å²	57.2	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-72.5	-24.2	177	-66.5	172.9	0	0	0	114.1	G242 E243 Q244 D249 Q250 A255 L256 F275	G242-L246 WeakPolarHBondContact O-CG 3.4Å; G242-L246 PolarHBondContact O-N 3.42Å; E243-L246 WeakPolarHBondContact O-CB 3.3Å; E243-L246 PolarHBondContact O-N 3.39Å; Q244-L246 VanDerWaalsContact C-N 3.32Å; L246-D249 WeakPolarHBondContact CA-O 3.29Å; L246-D249 CarbonylContact O-C 3.49Å; L246-Q250 VanDerWaalsContact O-CA 3.25Å; L246-Q250 WeakPolarHBondContact O-CA 3.46Å; L246-Q250 PolarHBondContact O-N 2.89Å; L246-A255 HydrophobicContact CD2-CB 3.61Å; L246-A255 HydrophobicContact CG-CB 3.81Å; L246-L256 HydrophobicContact CD1-CD2 3.82Å; L246-L256 HydrophobicContact CD2-CD2 3.61Å; L246-L256 HydrophobicContact CD2-CG 3.7Å; L246-L256 HydrophobicContact CG-CD2 4.4Å; L246-F275 HydrophobicContact CD1-CD1 4.15Å; L246-F275 HydrophobicContact CD1-CE1 3.61Å
247	I	96.4	Very high	97.7	Very high	144 Å²	144	54.9 Å²	54.9	74%	0.738	26%	0.255	S	S	*	.	H	α-helix	trans	-65	-34.9	170	-67.8	168.8	0	0	0	110.2	E243 Q244 A245	E243-I247 WeakPolarHBondContact O-CG1 3.23Å; E243-I247 PolarHBondContact O-N 2.89Å; Q244-I247 PolarHBondContact O-N 2.78Å; A245-I247 VanDerWaalsContact C-N 3.35Å
248	I	95.3	Very high	97.7	Very high	52 Å²	52	53.6 Å²	53.6	27%	0.267	25%	0.246	S	C	.	.	H	α-helix	trans	-79	-48	177.4	-58.7	173.3	0	0	0	110.9	E215 K218 L219 L222 A245	E215-I248 HydrophobicContact CB-CD1 4.44Å; E215-I248 HydrophobicContact CB-CG1 4.47Å; E215-I248 HydrophobicContact CB-CG2 4.02Å; E215-I248 WeakPolarHBondContact OE2-CD1 3.46Å; E215-I248 VanDerWaalsContact OE2-CG1 3.3Å; E215-I248 WeakPolarHBondContact OE2-CG1 3.46Å; K218-I248 HydrophobicContact CB-CD1 3.94Å; L219-I248 HydrophobicContact CB-CD1 4.41Å; L219-I248 HydrophobicContact CB-CG2 4.24Å; L219-I248 HydrophobicContact CD1-CB 4.41Å; L222-I248 HydrophobicContact CD1-CD1 3.58Å; A245-I248 PolarHBondContact O-N 2.85Å
249	D	96.9	Very high	97.7	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	25%	0.246	S	C	.	.			trans	-136.1	96.8	-179.2	174.5	9.9	0	0	0	110.2	L219 A245 L246 K251 N252	L219-D249 HydrophobicContact CD1-CB 4.34Å; L219-D249 HydrophobicContact CD2-CB 3.98Å; A245-D249 PolarHBondContact O-N 2.87Å; L246-D249 WeakPolarHBondContact CA-O 3.29Å; L246-D249 CarbonylContact O-C 3.49Å; D249-K251 PolarHBondContact O-N 2.82Å; D249-K251 PolarHBondContact OD1-N 2.78Å; D249-K251 VanDerWaalsContact OD1-N 3.11Å; D249-N252 HydrophobicContact CB-CB 4.06Å; D249-N252 VanDerWaalsContact O-CB 3.32Å; D249-N252 WeakPolarHBondContact O-CB 3.33Å; D249-N252 PolarHBondContact O-N 3.46Å; D249-N252 VanDerWaalsContact O-N 3.15Å; D249-N252 PolarHBondContact OD1-N 2.78Å; D249-N252 VanDerWaalsContact OD2-CB 3.29Å; D249-N252 WeakPolarHBondContact OD2-CB 3.18Å; D249-N252 PolarHBondContact OD2-ND2 2.7Å
250	Q	96.9	Very high	97.6	Very high	141 Å²	141	52.9 Å²	52.9	66%	0.659	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.7	-175.7	-166.2	-179.2	17.2	0	0	113.5	L246	L246-Q250 VanDerWaalsContact O-CA 3.25Å; L246-Q250 WeakPolarHBondContact O-CA 3.46Å; L246-Q250 PolarHBondContact O-N 2.89Å
251	K	96.6	Very high	97.6	Very high	137 Å²	137	46.7 Å²	46.7	60%	0.596	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	8	-178.4	-65.4	-171.4	177.5	-174.2	0	112.6	D249 A253 E282	D249-K251 PolarHBondContact O-N 2.82Å; D249-K251 PolarHBondContact OD1-N 2.78Å; D249-K251 VanDerWaalsContact OD1-N 3.11Å; K251-A253 PolarHBondContact O-N 2.95Å; K251-E282 HydrophobicContact CB-CG 4.37Å
252	N	97.9	Very high	97.6	Very high	24 Å²	24	45.4 Å²	45.4	13%	0.128	22%	0.215	C	C	.	.			trans	-67.3	101.5	-177.5	-159.2	-80.5	0	0	0	112	D249 K254 A255 L256	D249-N252 HydrophobicContact CB-CB 4.06Å; D249-N252 VanDerWaalsContact O-CB 3.32Å; D249-N252 WeakPolarHBondContact O-CB 3.33Å; D249-N252 PolarHBondContact O-N 3.46Å; D249-N252 VanDerWaalsContact O-N 3.15Å; D249-N252 PolarHBondContact OD1-N 2.78Å; D249-N252 VanDerWaalsContact OD2-CB 3.29Å; D249-N252 WeakPolarHBondContact OD2-CB 3.18Å; D249-N252 PolarHBondContact OD2-ND2 2.7Å; N252-K254 PolarHBondContact O-N 3.26Å; N252-K254 VanDerWaalsContact O-N 3.16Å; N252-K254 PolarHBondContact OD1-N 3.02Å; N252-A255 HydrophobicContact CB-CB 3.96Å; N252-A255 PolarHBondContact O-N 3.49Å; N252-A255 PolarHBondContact OD1-N 3.36Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 2.74Å
253	A	97.1	Very high	97.6	Very high	10 Å²	10	45.4 Å²	45.4	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-56.1	-35.7	-177.7	0	0	0	0	0	113.2	K251 F257 E282 Q283	K251-A253 PolarHBondContact O-N 2.95Å; A253-F257 WeakPolarHBondContact O-CB 3.42Å; A253-F257 PolarHBondContact O-N 3.12Å; A253-E282 HydrophobicContact CB-CB 4.22Å; A253-Q283 HydrophobicContact CB-CG 3.74Å
254	K	97.1	Very high	97.4	Very high	127 Å²	127	42.1 Å²	42.1	55%	0.552	20%	0.201	S	C	*	.	H	α-helix	trans	-68	-40.8	177.6	-66.3	179.4	-178.8	174.2	0	111.9	L223 N252 R258	L223-K254 HydrophobicContact CD2-CB 4.08Å; N252-K254 PolarHBondContact O-N 3.26Å; N252-K254 VanDerWaalsContact O-N 3.16Å; N252-K254 PolarHBondContact OD1-N 3.02Å; K254-R258 WeakPolarHBondContact O-CB 3.48Å; K254-R258 VanDerWaalsContact O-CD 3.28Å; K254-R258 WeakPolarHBondContact O-CD 3.27Å; K254-R258 WeakPolarHBondContact O-CG 3.46Å; K254-R258 PolarHBondContact O-N 2.62Å; K254-R258 VanDerWaalsContact O-N 3.1Å
255	A	98.2	Very high	97.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.8	-48.5	176.2	0	0	0	0	0	110.9	L223 A245 L246 N252 F257 R258 C259	L223-A255 HydrophobicContact CD2-CB 3.69Å; A245-A255 HydrophobicContact CB-CB 3.95Å; L246-A255 HydrophobicContact CD2-CB 3.61Å; L246-A255 HydrophobicContact CG-CB 3.81Å; N252-A255 HydrophobicContact CB-CB 3.96Å; N252-A255 PolarHBondContact O-N 3.49Å; N252-A255 PolarHBondContact OD1-N 3.36Å; A255-F257 VanDerWaalsContact C-N 3.35Å; A255-F257 PolarHBondContact O-N 3.47Å; A255-R258 PolarHBondContact O-N 3.08Å; A255-C259 PolarHBondContact O-N 2.9Å; A255-C259 PolarHBondContact O-SG 3.18Å
256	L	98.5	Very high	97.2	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-55.6	-49.5	177	-67.2	170.8	0	0	0	111.2	L246 N252 R258 C259 G260 F275 R278 A279 E282	L246-L256 HydrophobicContact CD1-CD2 3.82Å; L246-L256 HydrophobicContact CD2-CD2 3.61Å; L246-L256 HydrophobicContact CD2-CG 3.7Å; L246-L256 HydrophobicContact CG-CD2 4.4Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 2.74Å; L256-R258 PolarHBondContact O-N 3.45Å; L256-C259 PolarHBondContact O-N 2.88Å; L256-G260 PolarHBondContact O-N 3.39Å; L256-F275 HydrophobicContact CD2-CD1 3.89Å; L256-F275 HydrophobicContact CD2-CE1 4.5Å; L256-R278 HydrophobicContact CD1-CB 3.97Å; L256-R278 HydrophobicContact CD2-CB 4.19Å; L256-A279 HydrophobicContact CB-CB 3.66Å; L256-A279 HydrophobicContact CD1-CB 4.48Å; L256-E282 HydrophobicContact CD1-CG 4.35Å
257	F	98.2	Very high	97	Very high	33 Å²	33	49.3 Å²	49.3	15%	0.145	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-46.8	178.1	178.9	-114.2	0	0	0	112.3	A253 A255 G260 Q261 L276 A279 D288 I289 E292	A253-F257 WeakPolarHBondContact O-CB 3.42Å; A253-F257 PolarHBondContact O-N 3.12Å; A255-F257 VanDerWaalsContact C-N 3.35Å; A255-F257 PolarHBondContact O-N 3.47Å; F257-G260 PolarHBondContact O-N 3.23Å; F257-Q261 VanDerWaalsContact CE1-CD 3.49Å; F257-Q261 HydrophobicContact CE1-CG 4.35Å; F257-Q261 HydrophobicContact CE2-CG 4.38Å; F257-Q261 HydrophobicContact CZ-CG 4.2Å; F257-Q261 WeakPolarHBondContact O-CG 3.31Å; F257-Q261 PolarHBondContact O-N 3.12Å; F257-L276 HydrophobicContact CD2-CD2 3.75Å; F257-L276 HydrophobicContact CE2-CD2 4.28Å; F257-A279 HydrophobicContact CB-CB 4.43Å; F257-D288 HydrophobicContact CE2-CB 4.48Å; F257-D288 HydrophobicContact CZ-CB 4.03Å; F257-I289 HydrophobicContact CB-CG1 4.48Å; F257-I289 HydrophobicContact CD2-CB 4.31Å; F257-I289 HydrophobicContact CD2-CG1 3.69Å; F257-I289 HydrophobicContact CE2-CG1 4.18Å; F257-I289 HydrophobicContact CG-CG1 4.23Å; F257-E292 HydrophobicContact CE2-CB 3.75Å; F257-E292 HydrophobicContact CE2-CG 4.12Å; F257-E292 HydrophobicContact CZ-CB 4.46Å
258	R	98	Very high	96.9	Very high	30 Å²	30	45.7 Å²	45.7	11%	0.113	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-37.8	179.6	-71	166.4	-177.2	171.2	-5.6	113	L223 L230 K254 A255 L256 G260 Q261 A262	L223-R258 VanDerWaalsContact CB-NH1 3.26Å; L223-R258 PolarHBondContact O-NH1 3.28Å; L230-R258 HydrophobicContact CD1-CB 3.92Å; L230-R258 HydrophobicContact CD1-CG 4Å; K254-R258 WeakPolarHBondContact O-CB 3.48Å; K254-R258 VanDerWaalsContact O-CD 3.28Å; K254-R258 WeakPolarHBondContact O-CD 3.27Å; K254-R258 WeakPolarHBondContact O-CG 3.46Å; K254-R258 PolarHBondContact O-N 2.62Å; K254-R258 VanDerWaalsContact O-N 3.1Å; A255-R258 PolarHBondContact O-N 3.08Å; L256-R258 PolarHBondContact O-N 3.45Å; R258-G260 VanDerWaalsContact C-N 3.32Å; R258-Q261 PolarHBondContact O-N 3.33Å; R258-A262 WeakPolarHBondContact O-CB 3.36Å; R258-A262 PolarHBondContact O-N 3.11Å
259	C	98.3	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-43.2	171.4	-68.9	0	0	0	0	110.9	L239 G242 A255 L256 Q261 A262 C263 F275	L239-C259 HydrophobicContact CD1-CB 3.72Å; G242-C259 VanDerWaalsContact CA-SG 3.54Å; A255-C259 PolarHBondContact O-N 2.9Å; A255-C259 PolarHBondContact O-SG 3.18Å; L256-C259 PolarHBondContact O-N 2.88Å; C259-Q261 PolarHBondContact O-N 3.4Å; C259-A262 PolarHBondContact O-N 2.77Å; C259-C263 PolarHBondContact O-N 2.91Å; C259-C263 PolarHBondContact O-SG 2.86Å; C259-F275 HydrophobicContact CB-CB 4.36Å; C259-F275 HydrophobicContact CB-CD1 3.82Å; C259-F275 HydrophobicContact CB-CD2 3.72Å; C259-F275 HydrophobicContact CB-CE1 3.95Å; C259-F275 HydrophobicContact CB-CE2 3.85Å; C259-F275 HydrophobicContact CB-CG 3.71Å; C259-F275 HydrophobicContact CB-CZ 3.96Å
260	G	97.9	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-48.5	173.8	0	0	0	0	0	112.8	L256 F257 R258 A262 C263 L264	L256-G260 PolarHBondContact O-N 3.39Å; F257-G260 PolarHBondContact O-N 3.23Å; R258-G260 VanDerWaalsContact C-N 3.32Å; G260-A262 PolarHBondContact O-N 3.08Å; G260-C263 PolarHBondContact O-N 3.39Å; G260-L264 PolarHBondContact O-N 3.07Å
261	Q	97.8	Very high	96.7	Very high	40 Å²	40	47.4 Å²	47.4	19%	0.187	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-41.7	174.8	-70.1	-175.7	-44.2	0	0	112.5	L230 F257 R258 C259 L264 L265 E292	L230-Q261 HydrophobicContact CD1-CB 4.1Å; L230-Q261 HydrophobicContact CD2-CB 4.35Å; F257-Q261 VanDerWaalsContact CE1-CD 3.49Å; F257-Q261 HydrophobicContact CE1-CG 4.35Å; F257-Q261 HydrophobicContact CE2-CG 4.38Å; F257-Q261 HydrophobicContact CZ-CG 4.2Å; F257-Q261 WeakPolarHBondContact O-CG 3.31Å; F257-Q261 PolarHBondContact O-N 3.12Å; R258-Q261 PolarHBondContact O-N 3.33Å; C259-Q261 PolarHBondContact O-N 3.4Å; Q261-L264 WeakPolarHBondContact O-CB 3.49Å; Q261-L264 PolarHBondContact O-N 2.63Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 3.24Å; Q261-L265 VanDerWaalsContact O-N 3.15Å; Q261-E292 HydrophobicContact CG-CG 4.09Å; Q261-E292 PolarHBondContact NE2-OE2 3.04Å
262	A	98.1	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.9	-45.5	176.9	0	0	0	0	0	111.9	L230 P235 A238 L239 R258 C259 G260 L264 L265 L266	L230-A262 HydrophobicContact CD2-CB 3.92Å; P235-A262 HydrophobicContact CB-CB 4.32Å; A238-A262 HydrophobicContact CB-CB 4.34Å; L239-A262 HydrophobicContact CB-CB 3.87Å; R258-A262 WeakPolarHBondContact O-CB 3.36Å; R258-A262 PolarHBondContact O-N 3.11Å; C259-A262 PolarHBondContact O-N 2.77Å; G260-A262 PolarHBondContact O-N 3.08Å; A262-L264 VanDerWaalsContact C-N 3.32Å; A262-L264 PolarHBondContact O-N 2.85Å; A262-L265 PolarHBondContact O-N 3.12Å; A262-L266 VanDerWaalsContact O-CG 3.3Å; A262-L266 WeakPolarHBondContact O-CG 3.31Å; A262-L266 PolarHBondContact O-N 2.99Å
263	C	97.6	Very high	96.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-36.7	176.8	-73.5	0	0	0	0	112.3	C259 G260 L266 T267 E268 K271 A272	C259-C263 PolarHBondContact O-N 2.91Å; C259-C263 PolarHBondContact O-SG 2.86Å; G260-C263 PolarHBondContact O-N 3.39Å; C263-L266 CarbonylContact O-C 3.09Å; C263-L266 PolarHBondContact O-N 3.15Å; C263-L266 VanDerWaalsContact O-N 3.16Å; C263-T267 PolarHBondContact O-N 3.02Å; C263-T267 VanDerWaalsContact O-N 3.11Å; C263-E268 HydrophobicContact CB-CB 4.21Å; C263-E268 PolarHBondContact O-N 3.1Å; C263-K271 HydrophobicContact CB-CB 4.35Å; C263-A272 HydrophobicContact CB-CB 3.67Å
264	L	94.9	Very high	96.7	Very high	14 Å²	14	50.2 Å²	50.2	7%	0.073	24%	0.235	C	C	.	.	H	α-helix	trans	-58.5	-48.5	172.5	-84	173.8	0	0	0	111.9	G260 Q261 A262 L266 T267 Y269 A272 L276 E292 L296	G260-L264 PolarHBondContact O-N 3.07Å; Q261-L264 WeakPolarHBondContact O-CB 3.49Å; Q261-L264 PolarHBondContact O-N 2.63Å; A262-L264 VanDerWaalsContact C-N 3.32Å; A262-L264 PolarHBondContact O-N 2.85Å; L264-L266 PolarHBondContact O-N 2.9Å; L264-T267 PolarHBondContact O-N 3.44Å; L264-Y269 HydrophobicContact CD2-CD1 4.25Å; L264-A272 HydrophobicContact CD2-CB 4.14Å; L264-A272 HydrophobicContact CG-CB 3.86Å; L264-L276 HydrophobicContact CD1-CD1 4.19Å; L264-E292 HydrophobicContact CD1-CG 3.69Å; L264-E292 WeakPolarHBondContact CD1-OE1 3.33Å; L264-L296 HydrophobicContact CD1-CB 4.46Å; L264-L296 HydrophobicContact CD2-CB 3.93Å; L264-L296 HydrophobicContact CD2-CD1 3.32Å; L264-L296 HydrophobicContact CD2-CG 4.21Å; L264-L296 HydrophobicContact CG-CD1 4.33Å
265	L	94.9	Very high	96.7	Very high	86 Å²	86	45.1 Å²	45.1	45%	0.45	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-26.7	176.7	-67.3	173.1	0	0	0	112.6	L230 P235 Q261 A262 T267	L230-L265 HydrophobicContact CD2-CD1 4.04Å; P235-L265 HydrophobicContact CB-CB 3.75Å; P235-L265 HydrophobicContact CB-CD1 4.1Å; P235-L265 HydrophobicContact CG-CB 3.95Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 3.24Å; Q261-L265 VanDerWaalsContact O-N 3.15Å; A262-L265 PolarHBondContact O-N 3.12Å; L265-T267 VanDerWaalsContact C-N 3.29Å
266	L	95.9	Very high	96.7	Very high	46 Å²	46	45.1 Å²	45.1	24%	0.241	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	2	173.9	-65.1	169.6	0	0	0	113.3	P235 T236 L239 A262 C263 L264 E268	P235-L266 HydrophobicContact CB-CD1 4.47Å; P235-L266 HydrophobicContact CB-CD2 4.17Å; P235-L266 HydrophobicContact CB-CG 3.97Å; P235-L266 HydrophobicContact CG-CD2 3.76Å; P235-L266 HydrophobicContact CG-CG 4.08Å; T236-L266 HydrophobicContact CG2-CD1 4.35Å; T236-L266 HydrophobicContact CG2-CD2 3.61Å; L239-L266 HydrophobicContact CD2-CD1 4.13Å; A262-L266 VanDerWaalsContact O-CG 3.3Å; A262-L266 WeakPolarHBondContact O-CG 3.31Å; A262-L266 PolarHBondContact O-N 2.99Å; C263-L266 CarbonylContact O-C 3.09Å; C263-L266 PolarHBondContact O-N 3.15Å; C263-L266 VanDerWaalsContact O-N 3.16Å; L264-L266 PolarHBondContact O-N 2.9Å; L266-E268 HydrophobicContact CB-CG 4.05Å; L266-E268 PolarHBondContact O-N 2.93Å
267	T	94.1	Very high	96.7	Very high	94 Å²	94	47 Å²	47	58%	0.577	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	19.5	-174.3	67	0	0	0	0	114.2	C263 L264 L265 Y269	C263-T267 PolarHBondContact O-N 3.02Å; C263-T267 VanDerWaalsContact O-N 3.11Å; L264-T267 PolarHBondContact O-N 3.44Å; L265-T267 VanDerWaalsContact C-N 3.29Å; T267-Y269 VanDerWaalsContact C-N 3.27Å; T267-Y269 VanDerWaalsContact O-CD2 3.28Å; T267-Y269 WeakPolarHBondContact O-CD2 3.19Å; T267-Y269 WeakPolarHBondContact O-CE2 3.41Å; T267-Y269 PolarHBondContact O-N 2.82Å
268	E	95.3	Very high	96.7	Very high	67 Å²	67	48.5 Å²	48.5	31%	0.313	23%	0.229	S	C	.	.			trans	-86.2	65	176	-63.6	-169	158.4	0	0	110.6	C263 L266 Q270 K271 A272	C263-E268 HydrophobicContact CB-CB 4.21Å; C263-E268 PolarHBondContact O-N 3.1Å; L266-E268 HydrophobicContact CB-CG 4.05Å; L266-E268 PolarHBondContact O-N 2.93Å; E268-Q270 VanDerWaalsContact C-N 3.29Å; E268-Q270 PolarHBondContact O-N 3.23Å; E268-K271 HydrophobicContact CB-CB 4.34Å; E268-K271 PolarHBondContact O-N 3.02Å; E268-K271 VanDerWaalsContact O-N 3.14Å; E268-K271 IonicContact OE1-NZ 3.11Å; E268-K271 PolarHBondContact OE1-NZ 3.27Å; E268-K271 WeakPolarHBondContact OE2-CD 3.44Å; E268-K271 VanDerWaalsContact OE2-CE 3.31Å; E268-K271 WeakPolarHBondContact OE2-CE 3.26Å; E268-K271 IonicContact OE2-NZ 2.74Å; E268-K271 PolarHBondContact OE2-NZ 2.69Å; E268-A272 PolarHBondContact O-N 3.38Å
269	Y	94.3	Very high	96.6	Very high	40 Å²	40	47 Å²	47	16%	0.157	22%	0.223	C	C	.	.	H	α-helix	trans	-55.7	-38.8	-169.8	-57	-67.6	0	0	0	114.1	L264 T267 A272 R273 L296 D299 Y300 Y303	L264-Y269 HydrophobicContact CD2-CD1 4.25Å; T267-Y269 VanDerWaalsContact C-N 3.27Å; T267-Y269 VanDerWaalsContact O-CD2 3.28Å; T267-Y269 WeakPolarHBondContact O-CD2 3.19Å; T267-Y269 WeakPolarHBondContact O-CE2 3.41Å; T267-Y269 PolarHBondContact O-N 2.82Å; Y269-A272 PolarHBondContact O-N 3.09Å; Y269-R273 WeakPolarHBondContact O-CB 3.45Å; Y269-R273 PolarHBondContact O-N 3.48Å; Y269-L296 HydrophobicContact CD1-CD1 3.99Å; Y269-D299 HydrophobicContact CE1-CB 3.95Å; Y269-Y300 HydrophobicContact CD2-CD2 4.01Å; Y269-Y300 AromaticContact CG-CD2 3.91Å; Y269-Y300 HydrophobicContact CG-CD2 3.91Å; Y269-Y303 HydrophobicContact CD2-CD1 4.29Å; Y269-Y303 HydrophobicContact CD2-CG 4.36Å; Y269-Y303 HydrophobicContact CE2-CD1 4.04Å; Y269-Y303 AromaticContact CE2-CD2 3.96Å; Y269-Y303 HydrophobicContact CE2-CD2 3.96Å; Y269-Y303 AromaticContact CE2-CG 3.66Å; Y269-Y303 HydrophobicContact CE2-CG 3.66Å
270	Q	93.9	Very high	96.6	Very high	137 Å²	137	50.3 Å²	50.3	64%	0.64	24%	0.238	S	C	*	.	H	α-helix	trans	-67.9	-41.9	-179.5	-171.6	63.7	8.9	0	0	112.3	E268 R273 D274	E268-Q270 VanDerWaalsContact C-N 3.29Å; E268-Q270 PolarHBondContact O-N 3.23Å; Q270-R273 WeakPolarHBondContact O-CB 2.86Å; Q270-R273 PolarHBondContact O-N 2.91Å; Q270-D274 PolarHBondContact O-N 3.38Å; Q270-D274 VanDerWaalsContact O-N 3.15Å
271	K	96.5	Very high	96.6	Very high	108 Å²	108	59.1 Å²	59.1	47%	0.47	27%	0.272	S	S	.	.	H	α-helix	trans	-68.8	-40	175.8	-61	-163	-153.3	148.8	0	111	C263 E268 R273 D274 F275	C263-K271 HydrophobicContact CB-CB 4.35Å; E268-K271 HydrophobicContact CB-CB 4.34Å; E268-K271 PolarHBondContact O-N 3.02Å; E268-K271 VanDerWaalsContact O-N 3.14Å; E268-K271 IonicContact OE1-NZ 3.11Å; E268-K271 PolarHBondContact OE1-NZ 3.27Å; E268-K271 WeakPolarHBondContact OE2-CD 3.44Å; E268-K271 VanDerWaalsContact OE2-CE 3.31Å; E268-K271 WeakPolarHBondContact OE2-CE 3.26Å; E268-K271 IonicContact OE2-NZ 2.74Å; E268-K271 PolarHBondContact OE2-NZ 2.69Å; K271-R273 VanDerWaalsContact C-N 3.29Å; K271-R273 PolarHBondContact O-N 3.17Å; K271-D274 PolarHBondContact O-N 3.42Å; K271-F275 VanDerWaalsContact O-CD2 3.28Å; K271-F275 WeakPolarHBondContact O-CD2 3.19Å; K271-F275 PolarHBondContact O-N 3.47Å; K271-F275 VanDerWaalsContact O-N 3.1Å
272	A	97.3	Very high	96.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-44.3	174.2	0	0	0	0	0	111.6	C263 L264 E268 Y269 F275 L276 L296	C263-A272 HydrophobicContact CB-CB 3.67Å; L264-A272 HydrophobicContact CD2-CB 4.14Å; L264-A272 HydrophobicContact CG-CB 3.86Å; E268-A272 PolarHBondContact O-N 3.38Å; Y269-A272 PolarHBondContact O-N 3.09Å; A272-F275 PolarHBondContact O-N 3.1Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 VanDerWaalsContact O-CG 3.28Å; A272-L276 WeakPolarHBondContact O-CG 3.4Å; A272-L276 PolarHBondContact O-N 3.23Å; A272-L296 HydrophobicContact CB-CD1 3.99Å
273	R	96.6	Very high	96.5	Very high	148 Å²	148	65.2 Å²	65.2	56%	0.558	30%	0.3	S	S	*	.	H	α-helix	trans	-58.8	-48.4	175.7	-169.2	178.1	172.1	179	-1.9	112.3	Y269 Q270 K271 F275 L276 V277 L296	Y269-R273 WeakPolarHBondContact O-CB 3.45Å; Y269-R273 PolarHBondContact O-N 3.48Å; Q270-R273 WeakPolarHBondContact O-CB 2.86Å; Q270-R273 PolarHBondContact O-N 2.91Å; K271-R273 VanDerWaalsContact C-N 3.29Å; K271-R273 PolarHBondContact O-N 3.17Å; R273-F275 PolarHBondContact O-N 3.23Å; R273-L276 PolarHBondContact O-N 3.45Å; R273-V277 HydrophobicContact CG-CG2 4.17Å; R273-V277 WeakPolarHBondContact O-CB 3.08Å; R273-V277 VanDerWaalsContact O-CG2 3.28Å; R273-V277 WeakPolarHBondContact O-CG2 3.33Å; R273-V277 PolarHBondContact O-N 2.78Å; R273-L296 HydrophobicContact CB-CD2 3.73Å; R273-L296 HydrophobicContact CG-CD2 4.11Å
274	D	97.2	Very high	96.4	Very high	83 Å²	83	68.5 Å²	68.5	44%	0.444	32%	0.321	S	S	.	.	H	α-helix	trans	-57.3	-51.6	179.8	179.9	61.4	0	0	0	111.2	Q270 K271 L276 R278	Q270-D274 PolarHBondContact O-N 3.38Å; Q270-D274 VanDerWaalsContact O-N 3.15Å; K271-D274 PolarHBondContact O-N 3.42Å; D274-L276 PolarHBondContact O-N 3.48Å; D274-R278 WeakPolarHBondContact O-CB 3.44Å; D274-R278 WeakPolarHBondContact O-CD 3.22Å; D274-R278 VanDerWaalsContact O-CG 3.25Å; D274-R278 WeakPolarHBondContact O-CG 3.26Å; D274-R278 PolarHBondContact O-N 3.34Å; D274-R278 WeakPolarHBondContact OD2-CD 3.46Å; D274-R278 IonicContact OD2-NH1 3.15Å; D274-R278 PolarHBondContact OD2-NH1 3.5Å; D274-R278 VanDerWaalsContact OD2-NH1 3.15Å
275	F	98.3	Very high	96.4	Very high	20 Å²	20	77.3 Å²	77.3	9%	0.088	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-46.9	179.4	-77.8	-56.7	0	0	0	112.6	L239 E243 L246 L256 C259 K271 A272 R273 R278 A279	L239-F275 HydrophobicContact CD1-CE2 4.06Å; L239-F275 HydrophobicContact CD1-CZ 4.47Å; E243-F275 HydrophobicContact CG-CZ 4.47Å; L246-F275 HydrophobicContact CD1-CD1 4.15Å; L246-F275 HydrophobicContact CD1-CE1 3.61Å; L256-F275 HydrophobicContact CD2-CD1 3.89Å; L256-F275 HydrophobicContact CD2-CE1 4.5Å; C259-F275 HydrophobicContact CB-CB 4.36Å; C259-F275 HydrophobicContact CB-CD1 3.82Å; C259-F275 HydrophobicContact CB-CD2 3.72Å; C259-F275 HydrophobicContact CB-CE1 3.95Å; C259-F275 HydrophobicContact CB-CE2 3.85Å; C259-F275 HydrophobicContact CB-CG 3.71Å; C259-F275 HydrophobicContact CB-CZ 3.96Å; K271-F275 VanDerWaalsContact O-CD2 3.28Å; K271-F275 WeakPolarHBondContact O-CD2 3.19Å; K271-F275 PolarHBondContact O-N 3.47Å; K271-F275 VanDerWaalsContact O-N 3.1Å; A272-F275 PolarHBondContact O-N 3.1Å; R273-F275 PolarHBondContact O-N 3.23Å; F275-R278 PolarHBondContact O-N 3.12Å; F275-A279 WeakPolarHBondContact O-CB 3.33Å; F275-A279 PolarHBondContact O-N 3.34Å
276	L	97.8	Very high	96.4	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-69.8	-37.6	-176.9	-69.5	175.4	0	0	0	112.9	F257 L264 A272 R273 D274 A279 Q280 E292 L293 L296	F257-L276 HydrophobicContact CD2-CD2 3.75Å; F257-L276 HydrophobicContact CE2-CD2 4.28Å; L264-L276 HydrophobicContact CD1-CD1 4.19Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 VanDerWaalsContact O-CG 3.28Å; A272-L276 WeakPolarHBondContact O-CG 3.4Å; A272-L276 PolarHBondContact O-N 3.23Å; R273-L276 PolarHBondContact O-N 3.45Å; D274-L276 PolarHBondContact O-N 3.48Å; L276-A279 WeakPolarHBondContact O-CB 3.41Å; L276-A279 PolarHBondContact O-N 3.04Å; L276-Q280 WeakPolarHBondContact O-CB 3.36Å; L276-Q280 PolarHBondContact O-N 2.85Å; L276-E292 HydrophobicContact CD1-CB 4.31Å; L276-E292 HydrophobicContact CD1-CG 3.98Å; L276-E292 HydrophobicContact CD2-CB 4.32Å; L276-E292 HydrophobicContact CD2-CG 4.17Å; L276-L293 HydrophobicContact CB-CD2 3.43Å; L276-L293 VanDerWaalsContact CB-CD2 3.43Å; L276-L293 HydrophobicContact CB-CG 3.86Å; L276-L293 HydrophobicContact CD1-CD2 4.17Å; L276-L293 HydrophobicContact CD1-CG 4.44Å; L276-L293 HydrophobicContact CG-CD2 4.45Å; L276-L296 HydrophobicContact CD1-CB 4.47Å; L276-L296 HydrophobicContact CD1-CD2 4.22Å
277	V	97.5	Very high	96.4	Very high	40 Å²	40	79 Å²	79	24%	0.242	37%	0.365	C	S	.	.	H	α-helix	trans	-65.6	-41	174.5	169.4	0	0	0	0	110.6	R273 A279 Q280 R281 L293	R273-V277 HydrophobicContact CG-CG2 4.17Å; R273-V277 WeakPolarHBondContact O-CB 3.08Å; R273-V277 VanDerWaalsContact O-CG2 3.28Å; R273-V277 WeakPolarHBondContact O-CG2 3.33Å; R273-V277 PolarHBondContact O-N 2.78Å; V277-A279 VanDerWaalsContact C-N 3.34Å; V277-Q280 PolarHBondContact O-N 3.49Å; V277-R281 WeakPolarHBondContact O-CG 3.44Å; V277-R281 PolarHBondContact O-N 2.75Å; V277-L293 HydrophobicContact CG2-CD2 4.21Å
278	R	97.9	Very high	96.4	Very high	65 Å²	65	79.3 Å²	79.3	25%	0.245	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-42.2	173.2	-70.8	165.5	58.4	-166.5	-2.2	111.3	L256 D274 F275 Q280 R281 E282	L256-R278 HydrophobicContact CD1-CB 3.97Å; L256-R278 HydrophobicContact CD2-CB 4.19Å; D274-R278 WeakPolarHBondContact O-CB 3.44Å; D274-R278 WeakPolarHBondContact O-CD 3.22Å; D274-R278 VanDerWaalsContact O-CG 3.25Å; D274-R278 WeakPolarHBondContact O-CG 3.26Å; D274-R278 PolarHBondContact O-N 3.34Å; D274-R278 WeakPolarHBondContact OD2-CD 3.46Å; D274-R278 IonicContact OD2-NH1 3.15Å; D274-R278 PolarHBondContact OD2-NH1 3.5Å; D274-R278 VanDerWaalsContact OD2-NH1 3.15Å; F275-R278 PolarHBondContact O-N 3.12Å; R278-Q280 VanDerWaalsContact C-N 3.32Å; R278-Q280 PolarHBondContact O-N 2.8Å; R278-R281 PolarHBondContact O-N 2.76Å; R278-E282 PolarHBondContact O-N 2.88Å
279	A	97.7	Very high	96.4	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-42	175.4	0	0	0	0	0	111.8	L256 F257 F275 L276 V277 E282 Q283 I289	L256-A279 HydrophobicContact CB-CB 3.66Å; L256-A279 HydrophobicContact CD1-CB 4.48Å; F257-A279 HydrophobicContact CB-CB 4.43Å; F275-A279 WeakPolarHBondContact O-CB 3.33Å; F275-A279 PolarHBondContact O-N 3.34Å; L276-A279 WeakPolarHBondContact O-CB 3.41Å; L276-A279 PolarHBondContact O-N 3.04Å; V277-A279 VanDerWaalsContact C-N 3.34Å; A279-E282 PolarHBondContact O-N 2.79Å; A279-Q283 PolarHBondContact O-N 3.37Å; A279-I289 HydrophobicContact CB-CD1 3.9Å; A279-I289 HydrophobicContact CB-CG2 4.16Å
280	Q	97.8	Very high	96.5	Very high	69 Å²	69	76 Å²	76	32%	0.322	35%	0.351	S	S	.	.	H	α-helix	trans	-64.7	-36.7	176.7	-172.7	-172.3	47.2	0	0	112	L276 V277 R278 E282 Q283 P284 I289 N290 L293	L276-Q280 WeakPolarHBondContact O-CB 3.36Å; L276-Q280 PolarHBondContact O-N 2.85Å; V277-Q280 PolarHBondContact O-N 3.49Å; R278-Q280 VanDerWaalsContact C-N 3.32Å; R278-Q280 PolarHBondContact O-N 2.8Å; Q280-E282 VanDerWaalsContact C-N 3.31Å; Q280-E282 PolarHBondContact O-N 3.19Å; Q280-Q283 CarbonylContact O-C 3.56Å; Q280-Q283 PolarHBondContact O-N 2.96Å; Q280-P284 WeakPolarHBondContact O-CA 3.25Å; Q280-P284 WeakPolarHBondContact O-CD 3.42Å; Q280-P284 WeakPolarHBondContact O-CG 3.43Å; Q280-I289 HydrophobicContact CB-CG2 3.95Å; Q280-N290 PolarHBondContact NE2-OD1 3.26Å; Q280-L293 HydrophobicContact CB-CD1 4.06Å; Q280-L293 HydrophobicContact CG-CD1 4.27Å
281	R	97.3	Very high	96.6	Very high	184 Å²	184	72.4 Å²	72.4	69%	0.694	34%	0.336	S	S	*	.	H	α-helix	trans	-62.1	-39.3	175.3	-72.5	173.3	-176.5	178.3	1.3	112.2	V277 R278	V277-R281 WeakPolarHBondContact O-CG 3.44Å; V277-R281 PolarHBondContact O-N 2.75Å; R278-R281 PolarHBondContact O-N 2.76Å
282	E	97.1	Very high	96.5	Very high	88 Å²	88	68.5 Å²	68.5	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-76	-30.4	177.1	-59.2	-61	150.2	0	0	112.2	K251 A253 L256 R278 A279 Q280	K251-E282 HydrophobicContact CB-CG 4.37Å; A253-E282 HydrophobicContact CB-CB 4.22Å; L256-E282 HydrophobicContact CD1-CG 4.35Å; R278-E282 PolarHBondContact O-N 2.88Å; A279-E282 PolarHBondContact O-N 2.79Å; Q280-E282 VanDerWaalsContact C-N 3.31Å; Q280-E282 PolarHBondContact O-N 3.19Å
283	Q	96.6	Very high	96.4	Very high	81 Å²	81	69.9 Å²	69.9	38%	0.379	33%	0.326	S	S	.	.			trans	-137.7	77.9	177.3	-63.5	-172.4	-11.6	0	0	112.8	A253 A279 Q280 F285 N286 I289	A253-Q283 HydrophobicContact CB-CG 3.74Å; A279-Q283 PolarHBondContact O-N 3.37Å; Q280-Q283 CarbonylContact O-C 3.56Å; Q280-Q283 PolarHBondContact O-N 2.96Å; Q283-F285 VanDerWaalsContact C-N 3.33Å; Q283-F285 PolarHBondContact O-N 3.49Å; Q283-N286 HydrophobicContact CB-CB 3.91Å; Q283-N286 WeakPolarHBondContact O-CB 3.47Å; Q283-N286 PolarHBondContact O-N 3.15Å; Q283-N286 PolarHBondContact OE1-ND2 2.63Å; Q283-I289 HydrophobicContact CB-CD1 4.09Å
284	P	94.9	Very high	96.3	Very high	68 Å²	68	69.6 Å²	69.6	44%	0.442	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-33.7	-171.3	-25.6	34.8	0	0	0	114.8	Q280 N290	Q280-P284 WeakPolarHBondContact O-CA 3.25Å; Q280-P284 WeakPolarHBondContact O-CD 3.42Å; Q280-P284 WeakPolarHBondContact O-CG 3.43Å; P284-N290 PolarHBondContact O-ND2 3.32Å
285	F	94.8	Very high	96.1	Very high	199 Å²	199	70.5 Å²	70.5	87%	0.873	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	7.4	-176.4	-54.1	-67.9	0	0	0	113.6	Q283 H287	Q283-F285 VanDerWaalsContact C-N 3.33Å; Q283-F285 PolarHBondContact O-N 3.49Å; F285-H287 PolarHBondContact O-N 3.03Å
286	N	96.1	Very high	96	Very high	44 Å²	44	70.1 Å²	70.1	24%	0.235	33%	0.328	C	S	.	.			trans	-74.2	114.6	178.8	-173.5	-43.9	0	0	0	110.4	Q283 D288 I289 N290	Q283-N286 HydrophobicContact CB-CB 3.91Å; Q283-N286 WeakPolarHBondContact O-CB 3.47Å; Q283-N286 PolarHBondContact O-N 3.15Å; Q283-N286 PolarHBondContact OE1-ND2 2.63Å; N286-D288 VanDerWaalsContact C-N 3.33Å; N286-D288 PolarHBondContact O-N 3.36Å; N286-D288 WeakPolarHBondContact OD1-CB 3.32Å; N286-D288 PolarHBondContact OD1-N 2.95Å; N286-I289 HydrophobicContact CB-CB 4.31Å; N286-I289 HydrophobicContact CB-CD1 3.8Å; N286-I289 HydrophobicContact CB-CG1 4Å; N286-I289 PolarHBondContact O-N 3.03Å; N286-I289 PolarHBondContact OD1-N 2.81Å; N286-N290 PolarHBondContact O-N 3.35Å; N286-N290 PolarHBondContact O-ND2 3.13Å; N286-N290 VanDerWaalsContact O-ND2 3.08Å
287	H	95.6	Very high	95.8	Very high	123 Å²	123	72.6 Å²	72.6	57%	0.569	35%	0.348	S	S	*	.	H	α-helix	trans	-63.6	-37.2	-177.1	-169.7	58	0	0	0	112.8	F285 N290 N291	F285-H287 PolarHBondContact O-N 3.03Å; H287-N290 PolarHBondContact O-N 3.4Å; H287-N291 PolarHBondContact CD2-ND2 3.47Å; H287-N291 PolarHBondContact CE1-ND2 2.91Å; H287-N291 VanDerWaalsContact CE1-ND2 3.34Å; H287-N291 PolarHBondContact CE1-OD1 3Å; H287-N291 VanDerWaalsContact CE1-OD1 3.31Å; H287-N291 PolarHBondContact NE2-ND2 2.86Å; H287-N291 WeakPolarHBondContact O-CB 3.34Å; H287-N291 PolarHBondContact O-N 2.82Å; H287-N291 PolarHBondContact O-ND2 2.54Å
288	D	94.7	Very high	95.6	Very high	101 Å²	101	72.7 Å²	72.7	54%	0.54	35%	0.351	S	S	.	.	H	α-helix	trans	-64.3	-45.2	-178.8	-59.7	-37.4	0	0	0	111.2	F257 N286 N290 N291 E292	F257-D288 HydrophobicContact CE2-CB 4.48Å; F257-D288 HydrophobicContact CZ-CB 4.03Å; N286-D288 VanDerWaalsContact C-N 3.33Å; N286-D288 PolarHBondContact O-N 3.36Å; N286-D288 WeakPolarHBondContact OD1-CB 3.32Å; N286-D288 PolarHBondContact OD1-N 2.95Å; D288-N290 PolarHBondContact O-N 3.47Å; D288-N291 PolarHBondContact O-N 2.93Å; D288-E292 WeakPolarHBondContact O-CB 3.4Å; D288-E292 PolarHBondContact O-N 3.43Å
289	I	95.8	Very high	95.3	Very high	2 Å²	2	72 Å²	72	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-46.1	177.8	-58.8	177	0	0	0	110.3	F257 A279 Q280 Q283 N286 N291 E292 L293	F257-I289 HydrophobicContact CB-CG1 4.48Å; F257-I289 HydrophobicContact CD2-CB 4.31Å; F257-I289 HydrophobicContact CD2-CG1 3.69Å; F257-I289 HydrophobicContact CE2-CG1 4.18Å; F257-I289 HydrophobicContact CG-CG1 4.23Å; A279-I289 HydrophobicContact CB-CD1 3.9Å; A279-I289 HydrophobicContact CB-CG2 4.16Å; Q280-I289 HydrophobicContact CB-CG2 3.95Å; Q283-I289 HydrophobicContact CB-CD1 4.09Å; N286-I289 HydrophobicContact CB-CB 4.31Å; N286-I289 HydrophobicContact CB-CD1 3.8Å; N286-I289 HydrophobicContact CB-CG1 4Å; N286-I289 PolarHBondContact O-N 3.03Å; N286-I289 PolarHBondContact OD1-N 2.81Å; I289-N291 VanDerWaalsContact C-N 3.33Å; I289-N291 PolarHBondContact O-N 2.93Å; I289-E292 PolarHBondContact O-N 3.36Å; I289-L293 HydrophobicContact CG2-CD1 4.31Å; I289-L293 PolarHBondContact O-N 3.28Å
290	N	95.4	Very high	95	Very high	37 Å²	37	77.3 Å²	77.3	20%	0.198	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-37.3	-179.2	-71.7	-33.6	0	0	0	112.1	Q280 P284 N286 H287 D288 K294	Q280-N290 PolarHBondContact NE2-OD1 3.26Å; P284-N290 PolarHBondContact O-ND2 3.32Å; N286-N290 PolarHBondContact O-N 3.35Å; N286-N290 PolarHBondContact O-ND2 3.13Å; N286-N290 VanDerWaalsContact O-ND2 3.08Å; H287-N290 PolarHBondContact O-N 3.4Å; D288-N290 PolarHBondContact O-N 3.47Å; N290-K294 WeakPolarHBondContact O-CG 3.31Å; N290-K294 PolarHBondContact O-N 2.88Å; N290-K294 VanDerWaalsContact O-N 3.13Å
291	N	95.5	Very high	94.7	Very high	61 Å²	61	81.5 Å²	81.5	33%	0.326	39%	0.385	S	S	.	.	H	α-helix	trans	-69	-40.4	175.2	-72.3	-15.5	0	0	0	112	H287 D288 I289 L293 K294 K295	H287-N291 PolarHBondContact CD2-ND2 3.47Å; H287-N291 PolarHBondContact CE1-ND2 2.91Å; H287-N291 VanDerWaalsContact CE1-ND2 3.34Å; H287-N291 PolarHBondContact CE1-OD1 3Å; H287-N291 VanDerWaalsContact CE1-OD1 3.31Å; H287-N291 PolarHBondContact NE2-ND2 2.86Å; H287-N291 WeakPolarHBondContact O-CB 3.34Å; H287-N291 PolarHBondContact O-N 2.82Å; H287-N291 PolarHBondContact O-ND2 2.54Å; D288-N291 PolarHBondContact O-N 2.93Å; I289-N291 VanDerWaalsContact C-N 3.33Å; I289-N291 PolarHBondContact O-N 2.93Å; N291-L293 VanDerWaalsContact C-N 3.33Å; N291-L293 PolarHBondContact O-N 3.19Å; N291-K294 WeakPolarHBondContact O-CB 3.04Å; N291-K294 PolarHBondContact O-N 3.33Å; N291-K295 PolarHBondContact O-N 3.2Å
292	E	95.2	Very high	94.3	Very high	26 Å²	26	76.4 Å²	76.4	12%	0.121	37%	0.372	C	S	.	.	H	α-helix	trans	-65.9	-36	176.6	-157.8	78.7	-130.6	0	0	111.6	F257 Q261 L264 L276 D288 I289 K295 L296	F257-E292 HydrophobicContact CE2-CB 3.75Å; F257-E292 HydrophobicContact CE2-CG 4.12Å; F257-E292 HydrophobicContact CZ-CB 4.46Å; Q261-E292 HydrophobicContact CG-CG 4.09Å; Q261-E292 PolarHBondContact NE2-OE2 3.04Å; L264-E292 HydrophobicContact CD1-CG 3.69Å; L264-E292 WeakPolarHBondContact CD1-OE1 3.33Å; L276-E292 HydrophobicContact CD1-CB 4.31Å; L276-E292 HydrophobicContact CD1-CG 3.98Å; L276-E292 HydrophobicContact CD2-CB 4.32Å; L276-E292 HydrophobicContact CD2-CG 4.17Å; D288-E292 WeakPolarHBondContact O-CB 3.4Å; D288-E292 PolarHBondContact O-N 3.43Å; I289-E292 PolarHBondContact O-N 3.36Å; E292-K295 WeakPolarHBondContact O-CB 3.13Å; E292-K295 PolarHBondContact O-N 2.99Å; E292-K295 IonicContact OE1-NZ 3.6Å; E292-L296 WeakPolarHBondContact O-CB 3.47Å; E292-L296 PolarHBondContact O-N 3.33Å
293	L	95.3	Very high	94	Very high	28 Å²	28	77.3 Å²	77.3	15%	0.147	37%	0.373	C	S	.	.	H	α-helix	trans	-63.7	-39.5	171.9	-80.5	169.6	0	0	0	112.8	L276 V277 Q280 I289 N291 L296 A297	L276-L293 HydrophobicContact CB-CD2 3.43Å; L276-L293 VanDerWaalsContact CB-CD2 3.43Å; L276-L293 HydrophobicContact CB-CG 3.86Å; L276-L293 HydrophobicContact CD1-CD2 4.17Å; L276-L293 HydrophobicContact CD1-CG 4.44Å; L276-L293 HydrophobicContact CG-CD2 4.45Å; V277-L293 HydrophobicContact CG2-CD2 4.21Å; Q280-L293 HydrophobicContact CB-CD1 4.06Å; Q280-L293 HydrophobicContact CG-CD1 4.27Å; I289-L293 HydrophobicContact CG2-CD1 4.31Å; I289-L293 PolarHBondContact O-N 3.28Å; N291-L293 VanDerWaalsContact C-N 3.33Å; N291-L293 PolarHBondContact O-N 3.19Å; L293-L296 HydrophobicContact CD2-CD2 4.25Å; L293-L296 PolarHBondContact O-N 3.06Å; L293-A297 PolarHBondContact O-N 2.87Å
294	K	94.6	Very high	93.6	Very high	142 Å²	142	75.2 Å²	75.2	62%	0.617	37%	0.365	S	S	*	.	H	α-helix	trans	-64.3	-42.8	173.8	-72.2	172.6	-176.6	175.1	0	111.2	N290 N291 A297 S298	N290-K294 WeakPolarHBondContact O-CG 3.31Å; N290-K294 PolarHBondContact O-N 2.88Å; N290-K294 VanDerWaalsContact O-N 3.13Å; N291-K294 WeakPolarHBondContact O-CB 3.04Å; N291-K294 PolarHBondContact O-N 3.33Å; K294-A297 PolarHBondContact O-N 2.94Å; K294-S298 PolarHBondContact O-N 3.37Å
295	K	93.5	Very high	93.5	Very high	103 Å²	103	75.5 Å²	75.5	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-60.6	-49	175.9	-176.6	-175.7	167.9	-163	0	111.1	N291 E292 A297 S298 D299	N291-K295 PolarHBondContact O-N 3.2Å; E292-K295 WeakPolarHBondContact O-CB 3.13Å; E292-K295 PolarHBondContact O-N 2.99Å; E292-K295 IonicContact OE1-NZ 3.6Å; K295-A297 VanDerWaalsContact C-N 3.27Å; K295-A297 PolarHBondContact O-N 2.57Å; K295-S298 WeakPolarHBondContact O-CA 3.47Å; K295-S298 WeakPolarHBondContact O-CB 3.49Å; K295-S298 PolarHBondContact O-N 3.06Å; K295-D299 PolarHBondContact O-N 3.42Å
296	L	94.6	Very high	93.2	Very high	11 Å²	11	72.2 Å²	72.2	6%	0.058	35%	0.348	C	S	.	.	H	α-helix	trans	-51.5	-45.9	173.2	170.7	71.1	0	0	0	112.1	L264 Y269 A272 R273 L276 E292 L293 S298 D299 Y300	L264-L296 HydrophobicContact CD1-CB 4.46Å; L264-L296 HydrophobicContact CD2-CB 3.93Å; L264-L296 HydrophobicContact CD2-CD1 3.32Å; L264-L296 HydrophobicContact CD2-CG 4.21Å; L264-L296 HydrophobicContact CG-CD1 4.33Å; Y269-L296 HydrophobicContact CD1-CD1 3.99Å; A272-L296 HydrophobicContact CB-CD1 3.99Å; R273-L296 HydrophobicContact CB-CD2 3.73Å; R273-L296 HydrophobicContact CG-CD2 4.11Å; L276-L296 HydrophobicContact CD1-CB 4.47Å; L276-L296 HydrophobicContact CD1-CD2 4.22Å; E292-L296 WeakPolarHBondContact O-CB 3.47Å; E292-L296 PolarHBondContact O-N 3.33Å; L293-L296 HydrophobicContact CD2-CD2 4.25Å; L293-L296 PolarHBondContact O-N 3.06Å; L296-S298 VanDerWaalsContact C-N 3.3Å; L296-S298 PolarHBondContact O-N 3.25Å; L296-D299 PolarHBondContact O-N 3.16Å; L296-Y300 WeakPolarHBondContact O-CB 3.21Å; L296-Y300 PolarHBondContact O-N 2.96Å
297	A	93.6	Very high	92.9	Very high	52 Å²	52	73.3 Å²	73.3	43%	0.43	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-31.7	179.5	0	0	0	0	0	112.8	L293 K294 K295 R301	L293-A297 PolarHBondContact O-N 2.87Å; K294-A297 PolarHBondContact O-N 2.94Å; K295-A297 VanDerWaalsContact C-N 3.27Å; K295-A297 PolarHBondContact O-N 2.57Å; A297-R301 WeakPolarHBondContact O-CG 3.48Å; A297-R301 PolarHBondContact O-N 2.96Å; A297-R301 PolarHBondContact O-NE 3.36Å
298	S	93.2	Very high	92.6	Very high	43 Å²	43	72.6 Å²	72.6	30%	0.301	35%	0.347	S	S	.	.	H	α-helix	trans	-70.1	-54.7	172.3	-156.5	0	0	0	0	111.1	K294 K295 L296 Y300 R301 D302	K294-S298 PolarHBondContact O-N 3.37Å; K295-S298 WeakPolarHBondContact O-CA 3.47Å; K295-S298 WeakPolarHBondContact O-CB 3.49Å; K295-S298 PolarHBondContact O-N 3.06Å; L296-S298 VanDerWaalsContact C-N 3.3Å; L296-S298 PolarHBondContact O-N 3.25Å; S298-Y300 PolarHBondContact O-N 3.05Å; S298-R301 PolarHBondContact O-N 3.41Å; S298-D302 PolarHBondContact O-N 3.49Å
299	D	91.2	Very high	92.4	Very high	50 Å²	50	73 Å²	73	27%	0.267	35%	0.346	S	S	.	.	H	α-helix	trans	-59	-38.3	-176.9	-64.3	-9.5	0	0	0	111.5	Y269 K295 L296 Y303	Y269-D299 HydrophobicContact CE1-CB 3.95Å; K295-D299 PolarHBondContact O-N 3.42Å; L296-D299 PolarHBondContact O-N 3.16Å; D299-Y303 WeakPolarHBondContact O-CB 3.4Å; D299-Y303 PolarHBondContact O-N 3.39Å
300	Y	91.4	Very high	92.1	Very high	111 Å²	111	77.5 Å²	77.5	44%	0.435	37%	0.368	S	S	.	.	H	α-helix	trans	-67.7	-38.8	176.8	-176.7	-110.3	0	0	0	112.8	Y269 L296 S298 Y303 V304	Y269-Y300 HydrophobicContact CD2-CD2 4.01Å; Y269-Y300 AromaticContact CG-CD2 3.91Å; Y269-Y300 HydrophobicContact CG-CD2 3.91Å; L296-Y300 WeakPolarHBondContact O-CB 3.21Å; L296-Y300 PolarHBondContact O-N 2.96Å; S298-Y300 PolarHBondContact O-N 3.05Å; Y300-Y303 PolarHBondContact O-N 3.44Å; Y300-V304 HydrophobicContact CE1-CG2 4.14Å; Y300-V304 HydrophobicContact CE2-CG2 4.19Å; Y300-V304 WeakPolarHBondContact O-CG2 3.39Å; Y300-V304 PolarHBondContact O-N 3.31Å; Y300-V304 VanDerWaalsContact O-N 3.07Å
301	R	91.6	Very high	91.6	Very high	157 Å²	157	82.4 Å²	82.4	59%	0.592	38%	0.384	S	S	*	.	H	α-helix	trans	-64.2	-47.1	174.7	-77.6	-176.5	-61.8	170.3	7.9	110.9	A297 S298 Y303 V304 D305	A297-R301 WeakPolarHBondContact O-CG 3.48Å; A297-R301 PolarHBondContact O-N 2.96Å; A297-R301 PolarHBondContact O-NE 3.36Å; S298-R301 PolarHBondContact O-N 3.41Å; R301-Y303 VanDerWaalsContact C-N 3.27Å; R301-Y303 PolarHBondContact O-N 3.32Å; R301-V304 PolarHBondContact O-N 2.92Å; R301-V304 VanDerWaalsContact O-N 3.14Å; R301-D305 PolarHBondContact O-N 3.24Å
302	D	90.1	Very high	91.2	Very high	78 Å²	78	86.3 Å²	86.3	42%	0.417	40%	0.4	S	S	.	.	H	α-helix	trans	-61.2	-37.4	178.9	-65.9	-8.1	0	0	0	111.8	S298 K306	S298-D302 PolarHBondContact O-N 3.49Å; D302-K306 WeakPolarHBondContact O-CB 3.49Å; D302-K306 VanDerWaalsContact O-CG 3.26Å; D302-K306 WeakPolarHBondContact O-CG 3.44Å; D302-K306 PolarHBondContact O-N 3.28Å
303	Y	89.4	Confident	90.9	Very high	107 Å²	107	92.3 Å²	92.3	42%	0.42	42%	0.421	S	S	.	.	H	α-helix	trans	-61.5	-50.8	173.4	169.9	-101.9	0	0	0	111.7	Y269 D299 Y300 R301 D305 K306 E307	Y269-Y303 HydrophobicContact CD2-CD1 4.29Å; Y269-Y303 HydrophobicContact CD2-CG 4.36Å; Y269-Y303 HydrophobicContact CE2-CD1 4.04Å; Y269-Y303 AromaticContact CE2-CD2 3.96Å; Y269-Y303 HydrophobicContact CE2-CD2 3.96Å; Y269-Y303 AromaticContact CE2-CG 3.66Å; Y269-Y303 HydrophobicContact CE2-CG 3.66Å; D299-Y303 WeakPolarHBondContact O-CB 3.4Å; D299-Y303 PolarHBondContact O-N 3.39Å; Y300-Y303 PolarHBondContact O-N 3.44Å; R301-Y303 VanDerWaalsContact C-N 3.27Å; R301-Y303 PolarHBondContact O-N 3.32Å; Y303-D305 VanDerWaalsContact C-N 3.34Å; Y303-D305 PolarHBondContact O-N 3.23Å; Y303-K306 PolarHBondContact O-N 2.86Å; Y303-E307 WeakPolarHBondContact O-CB 3.34Å; Y303-E307 PolarHBondContact O-N 2.64Å
304	V	90.1	Very high	90.4	Very high	36 Å²	36	97.6 Å²	97.6	22%	0.218	45%	0.447	C	S	.	.	H	α-helix	trans	-63	-40.7	-179.6	169	0	0	0	0	111.6	Y300 R301 E307 K308	Y300-V304 HydrophobicContact CE1-CG2 4.14Å; Y300-V304 HydrophobicContact CE2-CG2 4.19Å; Y300-V304 WeakPolarHBondContact O-CG2 3.39Å; Y300-V304 PolarHBondContact O-N 3.31Å; Y300-V304 VanDerWaalsContact O-N 3.07Å; R301-V304 PolarHBondContact O-N 2.92Å; R301-V304 VanDerWaalsContact O-N 3.14Å; V304-E307 WeakPolarHBondContact O-CB 3.41Å; V304-E307 PolarHBondContact O-N 3.48Å; V304-K308 HydrophobicContact CG1-CD 4.4Å; V304-K308 WeakPolarHBondContact O-CG 3.32Å; V304-K308 PolarHBondContact O-N 3.44Å
305	D	91.4	Very high	89.8	Confident	74 Å²	74	97.4 Å²	97.4	40%	0.396	45%	0.446	S	S	.	.	H	α-helix	trans	-69.4	-40.8	-179.3	-69.6	-21.4	0	0	0	111.6	R301 Y303 E307 K308 E309	R301-D305 PolarHBondContact O-N 3.24Å; Y303-D305 VanDerWaalsContact C-N 3.34Å; Y303-D305 PolarHBondContact O-N 3.23Å; D305-E307 VanDerWaalsContact C-N 3.29Å; D305-E307 PolarHBondContact O-N 3.45Å; D305-K308 PolarHBondContact O-N 3.14Å; D305-K308 IonicContact OD1-NZ 3.21Å; D305-K308 PolarHBondContact OD1-NZ 3.07Å; D305-E309 WeakPolarHBondContact O-CG 3.24Å; D305-E309 PolarHBondContact O-N 3.29Å
306	K	89.9	Confident	89	Confident	130 Å²	130	95.4 Å²	95.4	57%	0.565	45%	0.449	S	S	*	.	H	α-helix	trans	-61.2	-39.1	170.6	-75.2	171.6	-176.1	169.2	0	112.3	D302 Y303 E309 M310	D302-K306 WeakPolarHBondContact O-CB 3.49Å; D302-K306 VanDerWaalsContact O-CG 3.26Å; D302-K306 WeakPolarHBondContact O-CG 3.44Å; D302-K306 PolarHBondContact O-N 3.28Å; Y303-K306 PolarHBondContact O-N 2.86Å; K306-E309 PolarHBondContact O-N 2.92Å; K306-M310 WeakPolarHBondContact O-CG 3.22Å; K306-M310 PolarHBondContact O-N 3.09Å
307	E	88.6	Confident	87.7	Confident	67 Å²	67	105.2 Å²	105.2	31%	0.313	49%	0.485	S	S	.	.	H	α-helix	trans	-60.4	-52.1	176	-150.8	-164.5	153	0	0	110.1	Y303 V304 D305 E309 M310 W311	Y303-E307 WeakPolarHBondContact O-CB 3.34Å; Y303-E307 PolarHBondContact O-N 2.64Å; V304-E307 WeakPolarHBondContact O-CB 3.41Å; V304-E307 PolarHBondContact O-N 3.48Å; D305-E307 VanDerWaalsContact C-N 3.29Å; D305-E307 PolarHBondContact O-N 3.45Å; E307-E309 VanDerWaalsContact C-N 3.33Å; E307-E309 PolarHBondContact O-N 2.79Å; E307-M310 WeakPolarHBondContact O-CB 3.4Å; E307-M310 PolarHBondContact O-N 3.18Å; E307-M310 VanDerWaalsContact O-N 3.07Å; E307-W311 PolarHBondContact O-N 3.36Å; E307-W311 PolarHBondContact OE1-NE1 2.89Å
308	K	89.6	Confident	86	Confident	108 Å²	108	107.2 Å²	107.2	47%	0.47	50%	0.496	S	S	.	.	H	α-helix	trans	-55.3	-45.5	176.8	-70.5	170.7	-171.3	159	0	112.3	V304 D305 M310 W311 H312	V304-K308 HydrophobicContact CG1-CD 4.4Å; V304-K308 WeakPolarHBondContact O-CG 3.32Å; V304-K308 PolarHBondContact O-N 3.44Å; D305-K308 PolarHBondContact O-N 3.14Å; D305-K308 IonicContact OD1-NZ 3.21Å; D305-K308 PolarHBondContact OD1-NZ 3.07Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 3.38Å; K308-W311 PolarHBondContact O-N 3.1Å; K308-H312 PolarHBondContact O-CD2 2.86Å; K308-H312 PolarHBondContact O-N 3.03Å
309	E	91.4	Very high	84.3	Confident	110 Å²	110	107.4 Å²	107.4	51%	0.514	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-40.3	176.7	-74.8	-178.1	-177.3	0	0	112.8	D305 K306 E307 H312 R313	D305-E309 WeakPolarHBondContact O-CG 3.24Å; D305-E309 PolarHBondContact O-N 3.29Å; K306-E309 PolarHBondContact O-N 2.92Å; E307-E309 VanDerWaalsContact C-N 3.33Å; E307-E309 PolarHBondContact O-N 2.79Å; E309-H312 PolarHBondContact O-N 2.84Å; E309-R313 WeakPolarHBondContact O-CB 3.21Å; E309-R313 WeakPolarHBondContact O-CG 3.47Å; E309-R313 PolarHBondContact O-N 3.34Å; E309-R313 PolarHBondContact O-NE 3.19Å; E309-R313 IonicContact OE2-NH2 3.58Å
310	M	88	Confident	82.6	Confident	96 Å²	96	111.7 Å²	111.7	47%	0.473	53%	0.527	S	S	.	.	H	α-helix	trans	-64	-45.1	175.1	-75.8	-172.7	-71	0	0	111	K306 E307 K308 R313 M314	K306-M310 WeakPolarHBondContact O-CG 3.22Å; K306-M310 PolarHBondContact O-N 3.09Å; E307-M310 WeakPolarHBondContact O-CB 3.4Å; E307-M310 PolarHBondContact O-N 3.18Å; E307-M310 VanDerWaalsContact O-N 3.07Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 3.38Å; M310-R313 PolarHBondContact O-N 2.79Å; M310-M314 WeakPolarHBondContact O-CB 3.48Å; M310-M314 VanDerWaalsContact O-CG 3.29Å; M310-M314 WeakPolarHBondContact O-CG 3.37Å; M310-M314 PolarHBondContact O-N 2.7Å
311	W	84.8	Confident	80.7	Confident	141 Å²	141	109.5 Å²	109.5	53%	0.534	54%	0.538	S	S	.	.	H	α-helix	trans	-57.2	-49.6	174.4	-77.4	106.9	0	0	0	111.3	E307 K308 R313 M314 F315	E307-W311 PolarHBondContact O-N 3.36Å; E307-W311 PolarHBondContact OE1-NE1 2.89Å; K308-W311 PolarHBondContact O-N 3.1Å; W311-R313 PolarHBondContact O-N 2.68Å; W311-M314 PolarHBondContact O-N 3.42Å; W311-F315 HydrophobicContact CE3-CD2 4.36Å; W311-F315 AromaticContact CE3-CE2 3.46Å; W311-F315 HydrophobicContact CE3-CE2 3.46Å; W311-F315 VanDerWaalsContact CE3-CE2 3.46Å; W311-F315 AromaticContact CE3-CZ 3.99Å; W311-F315 HydrophobicContact CE3-CZ 3.99Å; W311-F315 HydrophobicContact CZ3-CE2 4Å; W311-F315 HydrophobicContact CZ3-CZ 4.06Å; W311-F315 WeakPolarHBondContact O-CD2 3.42Å; W311-F315 PolarHBondContact O-N 2.88Å
312	H	88.1	Confident	78.6	Confident	142 Å²	142	107.1 Å²	107.1	66%	0.657	55%	0.545	S	S	*	.	H	α-helix	trans	-58.7	-43.7	177.4	-75.8	-58	0	0	0	112.7	K308 E309 F315 A316	K308-H312 PolarHBondContact O-CD2 2.86Å; K308-H312 PolarHBondContact O-N 3.03Å; E309-H312 PolarHBondContact O-N 2.84Å; H312-F315 PolarHBondContact O-N 3.14Å; H312-A316 WeakPolarHBondContact O-CB 3.48Å; H312-A316 PolarHBondContact O-N 3.27Å
313	R	88.8	Confident	76.7	Confident	152 Å²	152	109.3 Å²	109.3	57%	0.574	56%	0.561	S	S	*	*	H	α-helix	trans	-64.3	-41.2	176.3	-80	-178.3	-90.4	142.5	-11.5	112.6	E309 M310 W311 R317	E309-R313 WeakPolarHBondContact O-CB 3.21Å; E309-R313 WeakPolarHBondContact O-CG 3.47Å; E309-R313 PolarHBondContact O-N 3.34Å; E309-R313 PolarHBondContact O-NE 3.19Å; E309-R313 IonicContact OE2-NH2 3.58Å; M310-R313 PolarHBondContact O-N 2.79Å; W311-R313 PolarHBondContact O-N 2.68Å; R313-R317 WeakPolarHBondContact O-CB 3.37Å; R313-R317 PolarHBondContact O-N 2.95Å
314	M	83.7	Confident	74.8	Confident	139 Å²	139	109 Å²	109	69%	0.685	58%	0.581	S	S	*	*	H	α-helix	trans	-64.7	-42.1	178.5	-73	-67.1	-164.8	0	0	111.8	M310 W311 R317 C318	M310-M314 WeakPolarHBondContact O-CB 3.48Å; M310-M314 VanDerWaalsContact O-CG 3.29Å; M310-M314 WeakPolarHBondContact O-CG 3.37Å; M310-M314 PolarHBondContact O-N 2.7Å; W311-M314 PolarHBondContact O-N 3.42Å; M314-R317 PolarHBondContact O-N 2.92Å; M314-C318 PolarHBondContact O-N 2.8Å
315	F	83.1	Confident	72.8	Confident	138 Å²	138	110.7 Å²	110.7	61%	0.605	61%	0.606	S	S	*	*	H	α-helix	trans	-71.9	-38.7	178.4	-75.2	-65.2	0	0	0	113.3	W311 H312 R317 C318 G319	W311-F315 HydrophobicContact CE3-CD2 4.36Å; W311-F315 AromaticContact CE3-CE2 3.46Å; W311-F315 HydrophobicContact CE3-CE2 3.46Å; W311-F315 VanDerWaalsContact CE3-CE2 3.46Å; W311-F315 AromaticContact CE3-CZ 3.99Å; W311-F315 HydrophobicContact CE3-CZ 3.99Å; W311-F315 HydrophobicContact CZ3-CE2 4Å; W311-F315 HydrophobicContact CZ3-CZ 4.06Å; W311-F315 WeakPolarHBondContact O-CD2 3.42Å; W311-F315 PolarHBondContact O-N 2.88Å; H312-F315 PolarHBondContact O-N 3.14Å; F315-R317 VanDerWaalsContact C-N 3.26Å; F315-R317 PolarHBondContact O-N 2.79Å; F315-C318 PolarHBondContact O-N 3.42Å; F315-G319 PolarHBondContact O-N 2.98Å; F315-G319 VanDerWaalsContact O-N 3.13Å
316	A	76.6	Confident	70.6	Confident	62 Å²	62	116.6 Å²	116.6	51%	0.512	63%	0.631	S	S	.	*	H	α-helix	trans	-59.6	-39.6	174.4	0	0	0	0	0	111.7	H312 C318 G319 D320	H312-A316 WeakPolarHBondContact O-CB 3.48Å; H312-A316 PolarHBondContact O-N 3.27Å; A316-C318 VanDerWaalsContact C-N 3.33Å; A316-C318 PolarHBondContact O-N 3.19Å; A316-G319 PolarHBondContact O-N 2.87Å; A316-D320 PolarHBondContact O-N 2.95Å
317	R	66.5	Low	68.3	Low	216 Å²	216	119.9 Å²	119.9	82%	0.815	67%	0.671	S	S	*	*	H	α-helix	trans	-72.8	-24.2	179.8	-138.6	174.7	-178.9	174.2	-1.1	114.1	R313 M314 F315	R313-R317 WeakPolarHBondContact O-CB 3.37Å; R313-R317 PolarHBondContact O-N 2.95Å; M314-R317 PolarHBondContact O-N 2.92Å; F315-R317 VanDerWaalsContact C-N 3.26Å; F315-R317 PolarHBondContact O-N 2.79Å
318	C	58.5	Low	67.3	Low	95 Å²	95	122.6 Å²	122.6	64%	0.642	69%	0.688	S	S	*	*	H	α-helix	trans	-82.5	-28.1	176.1	-134.6	0	0	0	0	111.8	M314 F315 A316	M314-C318 PolarHBondContact O-N 2.8Å; F315-C318 PolarHBondContact O-N 3.42Å; A316-C318 VanDerWaalsContact C-N 3.33Å; A316-C318 PolarHBondContact O-N 3.19Å
319	G	56.7	Low	66.1	Low	46 Å²	46	123.3 Å²	123.3	47%	0.474	70%	0.7	S	S	.	*	H	α-helix	trans	-72.7	-34.6	178	0	0	0	0	0	114.4	F315 A316 G321	F315-G319 PolarHBondContact O-N 2.98Å; F315-G319 VanDerWaalsContact O-N 3.13Å; A316-G319 PolarHBondContact O-N 2.87Å; G319-G321 VanDerWaalsContact C-N 3.27Å; G319-G321 PolarHBondContact O-N 3.42Å
320	D	55.2	Low	64.7	Low	141 Å²	141	124.1 Å²	124.1	75%	0.754	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-7.1	-179.3	-77.3	-17.8	0	0	0	114	A316	A316-D320 PolarHBondContact O-N 2.95Å
321	G	52.1	Low	63.4	Low	64 Å²	64	125.7 Å²	125.7	66%	0.66	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-5.5	178.9	0	0	0	0	0	115.1	G319	G319-G321 VanDerWaalsContact C-N 3.27Å; G319-G321 PolarHBondContact O-N 3.42Å
322	S	48.9	Very low	62	Low	108 Å²	108	124.8 Å²	124.8	76%	0.755	74%	0.736	S	S	*	*	S	Bend	trans	-108.6	7.5	-171.9	-62.3	0	0	0	0	115.1
323	T	50.2	Low	60.3	Low	123 Å²	123	123.6 Å²	123.6	76%	0.755	74%	0.741	S	S	*	*	S	Bend	trans	-117.3	16.4	-178.5	56	0	0	0	0	114.9
324	A	47.9	Very low	58.2	Low	100 Å²	100	121.6 Å²	121.6	83%	0.826	75%	0.753	S	S	*	*	S	Bend	trans	-120.7	79.8	175.5	0	0	0	0	0	110.5
325	G	49.5	Very low	56.3	Low	72 Å²	72	120.2 Å²	120.2	74%	0.742	76%	0.759	S	S	*	*			trans	177	24.2	178.6	0	0	0	0	0	118
326	E	45.2	Very low	54.1	Low	199 Å²	199	118.8 Å²	118.8	93%	0.93	77%	0.771	S	S	*	*			trans	-143.9	96.7	164.7	-72.9	-170.8	160.7	0	0	110.3
327	S	41.3	Very low	52	Low	199 Å²	199	123.9 Å²	123.9	100%	1.392	80%	0.795	S	S	*	*			trans	-162	0	154.3	46.4	0	0	0	0	109.9

Retrieved 327 of 327 residues in 122.2 ms (Link to these results)

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