SESN1_MACFA Loading...

Sestrin-1

Functions as an intracellular leucine sensor that negatively regulates the TORC1 signaling pathway through the GATOR complex. In absence of leucine, binds the GATOR subcomplex GATOR2 and prevents TORC1 signaling. Binding of leucine to SESN2 disrupts its interaction with GATOR2 thereby activating the TORC1 signaling pathway. This stress-inducible metabolic regulator may also play a role in protection against oxidative and genotoxic stresses. May positively regulate the transcription by NFE2L2 of genes involved in the response to oxidative stress by facilitating the SQSTM1-mediated autophagic degradation of KEAP1. Moreover, may prevent the accumulation of reactive oxygen species (ROS) through the alkylhydroperoxide reductase activity born by the N-terminal domain of the protein. Was originally reported to contribute to oxidative stress resistance by reducing PRDX1. However, this could not be confirmed.

AlphaFold DB , UniProt , Accession Q4R6P7, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene SESN1, Length 492 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	31.3	Very low	32.2	Very low	243 Å²	243	158.2 Å²	158.2	100%	1.197	87%	0.867	S	S	*	*				0	85.2	0	-157	177.4	-163.7	0	0	109.1
2	R	30	Very low	31.9	Very low	248 Å²	248	155.9 Å²	155.9	94%	0.936	86%	0.862	S	S	*	*			trans	-149.1	89.6	167.1	-82.5	-169.3	178.2	174.1	-1	105.6	A4	R2-A4 PolarHBondContact O-N 3.21Å
3	L	34.9	Very low	32.2	Very low	171 Å²	171	149.1 Å²	149.1	90%	0.895	84%	0.838	S	S	*	*			trans	-72.2	119	170.8	-80.1	158.5	0	0	0	106.7	T5	L3-T5 PolarHBondContact O-N 2.94Å
4	A	35.1	Very low	32.3	Very low	101 Å²	101	147.9 Å²	147.9	84%	0.835	84%	0.839	S	S	*	*			trans	-70.2	109.4	178.9	0	0	0	0	0	109.2	R2 A6	R2-A4 PolarHBondContact O-N 3.21Å; A4-A6 PolarHBondContact O-N 2.65Å
5	T	30	Very low	32.2	Very low	140 Å²	140	146.1 Å²	146.1	86%	0.859	83%	0.826	S	S	*	*			trans	-73.8	94.8	165.5	44.8	0	0	0	0	108.5	L3	L3-T5 PolarHBondContact O-N 2.94Å
6	A	35.8	Very low	32.4	Very low	96 Å²	96	140.3 Å²	140.3	79%	0.793	80%	0.801	S	S	*	*			trans	-86.3	110.1	161.3	0	0	0	0	0	107.4	A4 N8	A4-A6 PolarHBondContact O-N 2.65Å; A6-N8 PolarHBondContact O-N 3Å
7	A	34.4	Very low	32.7	Very low	92 Å²	92	138.2 Å²	138.2	76%	0.76	79%	0.792	S	S	*	*			trans	-61.9	114.7	175.6	0	0	0	0	0	109.4	E9	A7-E9 VanDerWaalsContact C-N 3.34Å; A7-E9 PolarHBondContact O-N 3.3Å; A7-E9 VanDerWaalsContact O-N 3.09Å
8	N	31.3	Very low	32.8	Very low	165 Å²	165	135.7 Å²	135.7	88%	0.882	78%	0.784	S	S	*	*			trans	-70.4	96.6	160.9	-105.4	-4.7	0	0	0	106.8	A6 A10	A6-N8 PolarHBondContact O-N 3Å; N8-A10 PolarHBondContact O-N 3.25Å
9	E	29.4	Very low	32.6	Very low	176 Å²	176	135.8 Å²	135.8	82%	0.822	78%	0.776	S	S	*	*			trans	-62.8	102.1	162.7	-73.8	-179.3	165.2	0	0	107.4	A7 Y11	A7-E9 VanDerWaalsContact C-N 3.34Å; A7-E9 PolarHBondContact O-N 3.3Å; A7-E9 VanDerWaalsContact O-N 3.09Å; E9-Y11 PolarHBondContact O-N 2.86Å
10	A	32.1	Very low	32.8	Very low	80 Å²	80	134.4 Å²	134.4	66%	0.661	77%	0.765	S	S	*	*			trans	-60	107.9	172.5	0	0	0	0	0	108.2	N8 T12	N8-A10 PolarHBondContact O-N 3.25Å; A10-T12 VanDerWaalsContact C-N 3.26Å; A10-T12 PolarHBondContact O-N 3.05Å
11	Y	30.2	Very low	33.1	Very low	228 Å²	228	134.5 Å²	134.5	89%	0.894	76%	0.763	S	S	*	*			trans	-63.5	91	167.4	-116.3	-95.2	0	0	0	108.1	E9 A13	E9-Y11 PolarHBondContact O-N 2.86Å; Y11-A13 PolarHBondContact O-N 2.98Å
12	T	28.4	Very low	33	Very low	131 Å²	131	123.4 Å²	123.4	80%	0.804	71%	0.711	S	S	*	*			trans	-81.4	86.8	168.9	46	0	0	0	0	108.7	A10	A10-T12 VanDerWaalsContact C-N 3.26Å; A10-T12 PolarHBondContact O-N 3.05Å
13	A	35.1	Very low	33.4	Very low	67 Å²	67	114.2 Å²	114.2	55%	0.554	69%	0.685	S	S	*	*			trans	-121.9	113	155.5	0	0	0	0	0	106.9	Y11 L15	Y11-A13 PolarHBondContact O-N 2.98Å; A13-L15 PolarHBondContact O-N 2.65Å
14	P	34	Very low	33.7	Very low	132 Å²	132	114.7 Å²	114.7	86%	0.857	68%	0.679	S	S	*	*			trans	-75.1	91.5	-178.1	30.1	-30.5	0	0	0	108.5	A16	P14-A16 PolarHBondContact O-N 2.94Å; P14-A16 VanDerWaalsContact O-N 3.12Å
15	L	30.6	Very low	34.1	Very low	122 Å²	122	119 Å²	119	64%	0.639	68%	0.682	S	S	*	*			trans	-71.2	101.5	164.8	-78.5	160.7	0	0	0	107.1	A13 V17	A13-L15 PolarHBondContact O-N 2.65Å; L15-V17 PolarHBondContact O-N 3.29Å
16	A	35.3	Very low	34.6	Very low	52 Å²	52	117.1 Å²	117.1	43%	0.43	67%	0.674	S	S	.	*			trans	-64	122.9	171.4	0	0	0	0	0	107.9	P14 S18 E19	P14-A16 PolarHBondContact O-N 2.94Å; P14-A16 VanDerWaalsContact O-N 3.12Å; A16-S18 PolarHBondContact O-N 3.38Å; A16-E19 PolarHBondContact O-N 2.83Å
17	V	37.5	Very low	34.3	Very low	106 Å²	106	115.9 Å²	115.9	64%	0.642	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-52	-20.9	-175.9	178.8	0	0	0	0	113.3	L15 E19 L20 L21	L15-V17 PolarHBondContact O-N 3.29Å; V17-E19 PolarHBondContact O-N 3.09Å; V17-L20 PolarHBondContact O-N 3.49Å; V17-L21 HydrophobicContact CG1-CD1 4.41Å
18	S	34	Very low	34.4	Very low	92 Å²	92	112.7 Å²	112.7	64%	0.643	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-61	-25.3	171.7	49.1	0	0	0	0	114.7	A16	A16-S18 PolarHBondContact O-N 3.38Å
19	E	30.2	Very low	34.7	Very low	138 Å²	138	107.4 Å²	107.4	65%	0.645	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-77.7	-23	178.9	-68.5	-176.5	164.6	0	0	113	A16 V17	A16-E19 PolarHBondContact O-N 2.83Å; V17-E19 PolarHBondContact O-N 3.09Å
20	L	37	Very low	35.3	Very low	107 Å²	107	106.1 Å²	106.1	56%	0.56	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-15.7	-175.8	-82.7	156.7	0	0	0	114.2	V17	V17-L20 PolarHBondContact O-N 3.49Å
21	L	37.3	Very low	35.9	Very low	137 Å²	137	108.8 Å²	108.8	72%	0.717	62%	0.622	S	S	*	*			trans	-130.1	62.9	-171.5	-69	167.3	0	0	0	111	V17 C23	V17-L21 HydrophobicContact CG1-CD1 4.41Å; L21-C23 PolarHBondContact O-N 3.45Å
22	G	30.3	Very low	36.6	Very low	10 Å²	10	104.7 Å²	104.7	10%	0.103	61%	0.61	C	S	.	*			trans	-73.4	115.6	176.4	0	0	0	0	0	113.8	G28 R30	G22-G28 CarbonylContact C-O 3.42Å; G22-G28 WeakPolarHBondContact CA-O 3.33Å; G22-R30 WeakPolarHBondContact O-CG 3.29Å; G22-R30 PolarHBondContact O-NE 3.27Å; G22-R30 VanDerWaalsContact O-NE 3.14Å
23	C	37.6	Very low	37.6	Very low	56 Å²	56	101 Å²	101	38%	0.378	59%	0.586	S	S	.	*			trans	-93.8	135.8	165.1	163.2	0	0	0	0	110	L21 Q25 C26 G27	L21-C23 PolarHBondContact O-N 3.45Å; C23-Q25 PolarHBondContact O-N 3.24Å; C23-Q25 VanDerWaalsContact O-N 3.08Å; C23-C26 WeakPolarHBondContact CB-SG 3.39Å; C23-C26 PolarHBondContact O-N 3.27Å; C23-C26 PolarHBondContact O-SG 3.22Å; C23-G27 PolarHBondContact O-N 3.35Å
24	K	41.6	Very low	38.4	Very low	180 Å²	180	106.2 Å²	106.2	78%	0.783	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-23.9	-177.8	-75.8	-170.6	174.9	-175.4	0	113.8
25	Q	43.2	Very low	39.4	Very low	191 Å²	191	107.2 Å²	107.2	89%	0.893	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-20.5	177.7	-87.3	167.9	-17.9	0	0	114	C23	C23-Q25 PolarHBondContact O-N 3.24Å; C23-Q25 VanDerWaalsContact O-N 3.08Å
26	C	40.6	Very low	41.2	Very low	101 Å²	101	107.5 Å²	107.5	68%	0.682	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	13.5	178.4	48.5	0	0	0	0	113.8	C23 G28	C23-C26 WeakPolarHBondContact CB-SG 3.39Å; C23-C26 PolarHBondContact O-N 3.27Å; C23-C26 PolarHBondContact O-SG 3.22Å; C26-G28 VanDerWaalsContact C-N 3.29Å; C26-G28 PolarHBondContact O-N 3.18Å
27	G	30.7	Very low	42.9	Very low	71 Å²	71	108.1 Å²	108.1	73%	0.732	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.3	12	168.6	0	0	0	0	0	115.7	C23	C23-G27 PolarHBondContact O-N 3.35Å
28	G	36.1	Very low	44.7	Very low	24 Å²	24	108.1 Å²	108.1	25%	0.247	60%	0.6	C	S	.	*			trans	-79.2	127	171.9	0	0	0	0	0	110.7	G22 C26 R30	G22-G28 CarbonylContact C-O 3.42Å; G22-G28 WeakPolarHBondContact CA-O 3.33Å; C26-G28 VanDerWaalsContact C-N 3.29Å; C26-G28 PolarHBondContact O-N 3.18Å; G28-R30 PolarHBondContact O-N 3.2Å
29	G	38	Very low	46.6	Very low	55 Å²	55	112.9 Å²	112.9	57%	0.567	60%	0.604	S	S	*	*			trans	-65.5	121.9	-171.1	0	0	0	0	0	113.5
30	R	41.1	Very low	48.9	Very low	149 Å²	149	111.2 Å²	111.2	56%	0.562	60%	0.598	S	S	*	*			trans	-91.4	2	163.8	-77	-171	178.3	-167.9	-3.9	113.1	G22 G28 H32	G22-R30 WeakPolarHBondContact O-CG 3.29Å; G22-R30 PolarHBondContact O-NE 3.27Å; G22-R30 VanDerWaalsContact O-NE 3.14Å; G28-R30 PolarHBondContact O-N 3.2Å; R30-H32 VanDerWaalsContact C-N 3.27Å; R30-H32 PolarHBondContact O-N 3.35Å
31	D	45.3	Very low	51	Low	136 Å²	136	109.1 Å²	109.1	73%	0.727	59%	0.591	S	S	*	*	H	α-helix	trans	-70.9	-22.3	-173.5	-69.2	-14.5	0	0	0	112.7
32	H	45	Very low	53.1	Low	141 Å²	141	106.8 Å²	106.8	65%	0.653	57%	0.573	S	S	*	*	H	α-helix	trans	-82.1	-25.8	179.9	-80.3	-53.8	0	0	0	115.1	R30 E35	R30-H32 VanDerWaalsContact C-N 3.27Å; R30-H32 PolarHBondContact O-N 3.35Å; H32-E35 IonicContact ND1-OE2 3.4Å; H32-E35 PolarHBondContact ND1-OE2 3.02Å; H32-E35 PolarHBondContact O-N 3.44Å
33	D	49.6	Very low	55.5	Low	54 Å²	54	109.3 Å²	109.3	29%	0.289	59%	0.587	S	S	.	*	H	α-helix	trans	-74.9	-31.9	-177.1	-72.5	-29.9	0	0	0	112.4	E35 I40	D33-E35 VanDerWaalsContact C-N 3.28Å; D33-E35 PolarHBondContact O-N 2.87Å; D33-I40 HydrophobicContact CB-CD1 4.48Å; D33-I40 VanDerWaalsContact OD2-CD1 3.32Å; D33-I40 WeakPolarHBondContact OD2-CD1 3.44Å
34	E	51.1	Low	57.4	Low	177 Å²	177	108.7 Å²	108.7	83%	0.827	58%	0.58	S	S	*	*	H	α-helix	trans	-68.2	-27.6	175.8	-72.8	-172.3	172.4	0	0	112.1	L36	E34-L36 PolarHBondContact O-N 3.24Å
35	E	54.2	Low	59.1	Low	153 Å²	153	101.5 Å²	101.5	72%	0.715	56%	0.557	S	S	*	*	H	α-helix	trans	-70.3	-29.3	179.8	-72	-173.6	145.9	0	0	113.5	H32 D33	H32-E35 IonicContact ND1-OE2 3.4Å; H32-E35 PolarHBondContact ND1-OE2 3.02Å; H32-E35 PolarHBondContact O-N 3.44Å; D33-E35 VanDerWaalsContact C-N 3.28Å; D33-E35 PolarHBondContact O-N 2.87Å
36	L	69.2	Low	60.9	Low	128 Å²	128	98 Å²	98	67%	0.67	54%	0.541	S	S	*	.	H	α-helix	trans	-93.2	-8.2	-177.1	-69.8	169.5	0	0	0	114	E34 I38	E34-L36 PolarHBondContact O-N 3.24Å; L36-I38 HydrophobicContact CB-CD1 3.77Å; L36-I38 HydrophobicContact CB-CG1 3.86Å; L36-I38 HydrophobicContact CD1-CD1 3.98Å; L36-I38 HydrophobicContact CG-CD1 4.48Å; L36-I38 PolarHBondContact O-N 2.8Å
37	G	71.6	Confident	63.3	Low	64 Å²	64	94.1 Å²	94.1	66%	0.66	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	14.7	-176.8	0	0	0	0	0	114.3	R39	G37-R39 PolarHBondContact O-N 3.11Å
38	I	74.8	Confident	66.3	Low	107 Å²	107	91 Å²	91	55%	0.549	48%	0.484	S	S	.	.			trans	-77.8	119.8	-179.7	-62.5	170.5	0	0	0	108.4	L36 I40	L36-I38 HydrophobicContact CB-CD1 3.77Å; L36-I38 HydrophobicContact CB-CG1 3.86Å; L36-I38 HydrophobicContact CD1-CD1 3.98Å; L36-I38 HydrophobicContact CG-CD1 4.48Å; L36-I38 PolarHBondContact O-N 2.8Å; I38-I40 PolarHBondContact O-N 3.34Å
39	R	75.1	Confident	69.1	Low	192 Å²	192	90 Å²	90	73%	0.725	47%	0.473	S	S	*	.			trans	-84.2	108.3	174.6	-63.9	-175.1	-179.5	-176.7	0.3	109.4	G37 P41 F233	G37-R39 PolarHBondContact O-N 3.11Å; R39-P41 WeakPolarHBondContact O-CD 3.43Å; R39-F233 HydrophobicContact CB-CD1 3.76Å; R39-F233 HydrophobicContact CB-CE1 4.4Å; R39-F233 WeakPolarHBondContact O-CE1 3.34Å
40	I	77.1	Confident	71.8	Confident	102 Å²	102	92 Å²	92	52%	0.523	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-73.1	120.9	173.7	-59.2	178.3	0	0	0	108.9	D33 I38	D33-I40 HydrophobicContact CB-CD1 4.48Å; D33-I40 VanDerWaalsContact OD2-CD1 3.32Å; D33-I40 WeakPolarHBondContact OD2-CD1 3.44Å; I38-I40 PolarHBondContact O-N 3.34Å
41	P	81.9	Confident	74.4	Confident	63 Å²	63	86 Å²	86	41%	0.409	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-68.8	140.6	175.7	27.7	-32	0	0	0	110.8	R39 H231 F233	R39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-H231 HydrophobicContact CB-CB 4.05Å; P41-F233 HydrophobicContact CB-CD1 4.16Å; P41-F233 HydrophobicContact CB-CE1 3.77Å; P41-F233 HydrophobicContact CB-CZ 4.05Å; P41-F233 HydrophobicContact CG-CE1 4.17Å
42	R	80.2	Confident	76.7	Confident	88 Å²	88	79.7 Å²	79.7	33%	0.332	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.9	172.7	-173.8	-175.1	68.4	106.5	-6.5	110	H231 T232	R42-H231 CarbonylContact O-C 3.47Å; R42-H231 WeakPolarHBondContact O-CA 3.41Å; R42-T232 HydrophobicContact CB-CG2 4.23Å; R42-T232 PolarHBondContact N-O 3.5Å; R42-T232 PolarHBondContact O-N 2.89Å
43	P	81.6	Confident	79.1	Confident	63 Å²	63	75.9 Å²	75.9	41%	0.409	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	138.5	169.6	-20.5	30.9	0	0	0	111.7	I225 G230	P43-I225 HydrophobicContact CB-CD1 4.41Å; P43-I225 HydrophobicContact CG-CD1 3.89Å; P43-G230 WeakPolarHBondContact CA-O 3.25Å
44	L	78.5	Confident	81	Confident	44 Å²	44	77.3 Å²	77.3	23%	0.23	40%	0.401	C	S	.	.	S	Bend	trans	-91.2	-21.8	172.9	-75.2	175.6	0	0	0	112.9	G229 G230 H231 T232	L44-G229 WeakPolarHBondContact CB-O 3.45Å; L44-G229 WeakPolarHBondContact CD1-O 3.42Å; L44-G230 PolarHBondContact N-O 2.95Å; L44-H231 WeakPolarHBondContact CD1-O 3.13Å; L44-T232 HydrophobicContact CD2-CG2 3.61Å; L44-T232 HydrophobicContact CG-CG2 4.16Å
45	G	75.7	Confident	82.9	Confident	29 Å²	29	76.7 Å²	76.7	30%	0.299	40%	0.396	S	S	.	.	S	Bend	trans	-103.3	157.5	175.2	0	0	0	0	0	112.7
46	Q	81.9	Confident	84.7	Confident	118 Å²	118	72.9 Å²	72.9	55%	0.551	38%	0.378	S	S	*	.	S	Bend	trans	-108.2	72	171.7	-67.5	179.7	-1.8	0	0	108.7
47	G	90.4	Very high	85.6	Confident	18 Å²	18	66.9 Å²	66.9	19%	0.186	35%	0.346	C	S	.	.	S	Bend	trans	93.7	-171.9	178.8	0	0	0	0	0	115.9	S49 S222	G47-S49 VanDerWaalsContact C-N 3.31Å; G47-S49 PolarHBondContact O-N 3.41Å; G47-S222 VanDerWaalsContact O-CB 3.23Å; G47-S222 WeakPolarHBondContact O-CB 3.48Å; G47-S222 PolarHBondContact O-OG 3.16Å
48	P	93.4	Very high	86.2	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.032	34%	0.338	C	S	.	.	S	Bend	trans	-69.1	-21.2	-166.2	-24.2	35.8	0	0	0	115.7	I57 N83 L86 V87 I221 S222	P48-I57 HydrophobicContact CB-CD1 4.08Å; P48-I57 HydrophobicContact CG-CD1 4.18Å; P48-I57 HydrophobicContact CG-CG2 4.3Å; P48-N83 WeakPolarHBondContact CA-OD1 3.34Å; P48-N83 HydrophobicContact CB-CB 3.91Å; P48-L86 HydrophobicContact CB-CB 3.94Å; P48-L86 HydrophobicContact CB-CD1 4.3Å; P48-L86 HydrophobicContact CG-CB 3.76Å; P48-L86 HydrophobicContact CG-CD1 3.64Å; P48-L86 HydrophobicContact CG-CG 4.35Å; P48-V87 HydrophobicContact CB-CG2 3.99Å; P48-I221 WeakPolarHBondContact O-CA 3.43Å; P48-S222 PolarHBondContact O-N 3.13Å
49	S	95.7	Very high	86.6	Confident	4 Å²	4	68.6 Å²	68.6	3%	0.028	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-134.2	146.3	-178.8	173	0	0	0	0	110.8	G47 F51 I52 C219 G220	G47-S49 VanDerWaalsContact C-N 3.31Å; G47-S49 PolarHBondContact O-N 3.41Å; S49-F51 PolarHBondContact OG-N 3.22Å; S49-I52 PolarHBondContact OG-N 3.35Å; S49-C219 WeakPolarHBondContact CB-O 3.42Å; S49-C219 PolarHBondContact OG-O 3.2Å; S49-G220 WeakPolarHBondContact CA-O 3.34Å
50	R	94	Very high	86.7	Confident	97 Å²	97	61.6 Å²	61.6	37%	0.366	32%	0.316	S	S	.	.	S	Bend	trans	-85.1	-14.3	170.4	-53.6	180	-145.9	179.5	11.4	112.5	G220 N248 K449	R50-G220 PolarHBondContact N-O 3.16Å; R50-N248 PolarHBondContact NH1-OD1 3.45Å; R50-K449 PolarHBondContact O-NZ 3.1Å
51	F	95.3	Very high	86.2	Confident	22 Å²	22	57.2 Å²	57.2	10%	0.096	30%	0.295	C	S	.	.	S	Bend	trans	-98.6	-29.5	-177.4	-59.4	-8.4	0	0	0	111.7	S49 F217 G218 C219 G220 V447 K449 Y452	S49-F51 PolarHBondContact OG-N 3.22Å; F51-F217 VanDerWaalsContact CE2-O 3.29Å; F51-F217 WeakPolarHBondContact CE2-O 3.34Å; F51-G218 WeakPolarHBondContact CD2-O 3.35Å; F51-G218 WeakPolarHBondContact CE2-O 3.43Å; F51-C219 VanDerWaalsContact CD2-C 3.5Å; F51-G220 VanDerWaalsContact CD2-N 3.33Å; F51-G220 VanDerWaalsContact CE2-N 3.28Å; F51-V447 HydrophobicContact CE2-CG1 4.17Å; F51-V447 HydrophobicContact CZ-CG1 4.39Å; F51-K449 HydrophobicContact CD1-CB 3.69Å; F51-K449 HydrophobicContact CD1-CD 4.18Å; F51-K449 HydrophobicContact CD1-CG 3.81Å; F51-K449 HydrophobicContact CE1-CB 3.61Å; F51-K449 HydrophobicContact CE1-CG 4.28Å; F51-K449 HydrophobicContact CZ-CB 4.47Å; F51-Y452 HydrophobicContact CB-CD1 3.83Å; F51-Y452 HydrophobicContact CB-CE1 3.84Å; F51-Y452 HydrophobicContact CB-CG 4.24Å; F51-Y452 HydrophobicContact CD2-CD1 4.17Å; F51-Y452 AromaticContact CD2-CD2 3.87Å; F51-Y452 HydrophobicContact CD2-CD2 3.87Å; F51-Y452 HydrophobicContact CD2-CE2 4.45Å; F51-Y452 AromaticContact CD2-CG 3.71Å; F51-Y452 HydrophobicContact CD2-CG 3.71Å; F51-Y452 HydrophobicContact CE2-CG 4.41Å; F51-Y452 HydrophobicContact CG-CD1 4.21Å; F51-Y452 HydrophobicContact CG-CG 4.21Å
52	I	95.4	Very high	85.6	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	30%	0.301	C	S	.	.	S	Bend	trans	-114	127.8	-173.7	-54	170.6	0	0	0	108.9	S49 E54 I57 V87 F90 H461 V465	S49-I52 PolarHBondContact OG-N 3.35Å; I52-E54 PolarHBondContact O-N 2.98Å; I52-I57 HydrophobicContact CB-CD1 4.14Å; I52-I57 HydrophobicContact CB-CG1 4.46Å; I52-I57 HydrophobicContact CG2-CD1 3.99Å; I52-I57 HydrophobicContact CG2-CG1 3.77Å; I52-V87 HydrophobicContact CD1-CG1 4.13Å; I52-F90 HydrophobicContact CD1-CE2 4.18Å; I52-F90 HydrophobicContact CG2-CE2 4.11Å; I52-F90 HydrophobicContact CG2-CZ 4.06Å; I52-H461 HydrophobicContact CD1-CB 4.39Å; I52-H461 HydrophobicContact CG1-CB 4.11Å; I52-H461 HydrophobicContact CG2-CB 3.84Å; I52-V465 HydrophobicContact CD1-CG2 3.54Å
53	P	93.7	Very high	85.1	Confident	62 Å²	62	61.4 Å²	61.4	40%	0.403	32%	0.322	S	S	.	.			trans	-58.1	131.9	175.5	-24.5	35	0	0	0	112.5	K55 E56 H461	P53-K55 PolarHBondContact O-N 2.87Å; P53-K55 VanDerWaalsContact O-N 3.12Å; P53-E56 HydrophobicContact CB-CG 4.46Å; P53-E56 PolarHBondContact O-N 2.77Å; P53-H461 WeakPolarHBondContact CD-NE2 3.3Å
54	E	91.3	Very high	84.5	Confident	83 Å²	83	61 Å²	61	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-51.3	-40.2	-179.9	-178.7	178	-155.5	0	0	113.2	I52 E56 I57 L58	I52-E54 PolarHBondContact O-N 2.98Å; E54-E56 VanDerWaalsContact C-N 3.27Å; E54-E56 PolarHBondContact O-N 3.34Å; E54-I57 PolarHBondContact O-N 2.64Å; E54-I57 VanDerWaalsContact O-N 3.14Å; E54-L58 HydrophobicContact CG-CD1 3.74Å; E54-L58 HydrophobicContact CG-CG 4.07Å; E54-L58 WeakPolarHBondContact O-CG 3.34Å; E54-L58 PolarHBondContact O-N 3.01Å
55	K	90.6	Very high	84.4	Confident	165 Å²	165	62.8 Å²	62.8	72%	0.717	34%	0.337	S	S	*	.	H	α-helix	trans	-59.3	-36.6	-179.7	-66.4	-177.5	-178.9	177	0	112.7	P53 Q59	P53-K55 PolarHBondContact O-N 2.87Å; P53-K55 VanDerWaalsContact O-N 3.12Å; K55-Q59 WeakPolarHBondContact O-CB 3.48Å; K55-Q59 WeakPolarHBondContact O-CG 3.39Å; K55-Q59 PolarHBondContact O-N 3.03Å; K55-Q59 VanDerWaalsContact O-N 3.08Å
56	E	90.8	Very high	84.6	Confident	72 Å²	72	66.8 Å²	66.8	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-71	-35.3	178.9	-69.7	-174.8	-133.7	0	0	111.6	P53 E54 F90 H461	P53-E56 HydrophobicContact CB-CG 4.46Å; P53-E56 PolarHBondContact O-N 2.77Å; E54-E56 VanDerWaalsContact C-N 3.27Å; E54-E56 PolarHBondContact O-N 3.34Å; E56-F90 HydrophobicContact CB-CZ 4.38Å; E56-H461 IonicContact OE1-CD2 3.72Å; E56-H461 IonicContact OE2-CD2 2.72Å; E56-H461 PolarHBondContact OE2-CD2 2.83Å
57	I	89.3	Confident	84.4	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-46.9	176.8	-61.4	168.6	0	0	0	110.3	P48 I52 E54 Q59 V60 G61 L86 V87 V89 F90	P48-I57 HydrophobicContact CB-CD1 4.08Å; P48-I57 HydrophobicContact CG-CD1 4.18Å; P48-I57 HydrophobicContact CG-CG2 4.3Å; I52-I57 HydrophobicContact CB-CD1 4.14Å; I52-I57 HydrophobicContact CB-CG1 4.46Å; I52-I57 HydrophobicContact CG2-CD1 3.99Å; I52-I57 HydrophobicContact CG2-CG1 3.77Å; E54-I57 PolarHBondContact O-N 2.64Å; E54-I57 VanDerWaalsContact O-N 3.14Å; I57-Q59 PolarHBondContact O-N 2.92Å; I57-V60 PolarHBondContact O-N 2.81Å; I57-G61 PolarHBondContact O-N 3.37Å; I57-L86 HydrophobicContact CG2-CB 4.37Å; I57-L86 WeakPolarHBondContact CG2-O 3.29Å; I57-V87 HydrophobicContact CD1-CG2 3.99Å; I57-V89 HydrophobicContact CG2-CG1 4.1Å; I57-F90 HydrophobicContact CG1-CE2 3.91Å; I57-F90 HydrophobicContact CG1-CZ 4.04Å
58	L	83.9	Confident	83.9	Confident	94 Å²	94	65.4 Å²	65.4	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-69.9	-31.1	-176.8	-65.6	-178.8	0	0	0	113.4	E54 G61 S62	E54-L58 HydrophobicContact CG-CD1 3.74Å; E54-L58 HydrophobicContact CG-CG 4.07Å; E54-L58 WeakPolarHBondContact O-CG 3.34Å; E54-L58 PolarHBondContact O-N 3.01Å; L58-G61 PolarHBondContact O-N 2.98Å; L58-S62 PolarHBondContact O-N 3.45Å
59	Q	82.9	Confident	83.5	Confident	113 Å²	113	67.6 Å²	67.6	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-48.6	176.2	-82.3	169.6	16.1	0	0	111.2	K55 I57 G61 S62	K55-Q59 WeakPolarHBondContact O-CB 3.48Å; K55-Q59 WeakPolarHBondContact O-CG 3.39Å; K55-Q59 PolarHBondContact O-N 3.03Å; K55-Q59 VanDerWaalsContact O-N 3.08Å; I57-Q59 PolarHBondContact O-N 2.92Å; Q59-G61 VanDerWaalsContact C-N 3.33Å; Q59-G61 PolarHBondContact O-N 3.07Å; Q59-S62 PolarHBondContact O-N 2.8Å; Q59-S62 VanDerWaalsContact O-N 3.15Å; Q59-S62 PolarHBondContact O-OG 3.36Å
60	V	77	Confident	82.9	Confident	45 Å²	45	68.6 Å²	68.6	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-41	-178.9	-178.7	0	0	0	0	111.7	I57 S62 V89 F90	I57-V60 PolarHBondContact O-N 2.81Å; V60-S62 PolarHBondContact O-N 2.84Å; V60-V89 HydrophobicContact CB-CG1 4.12Å; V60-V89 HydrophobicContact CG1-CG1 4.18Å; V60-V89 HydrophobicContact CG1-CG2 4.22Å; V60-V89 WeakPolarHBondContact CG1-O 3.41Å; V60-F90 HydrophobicContact CG2-CD1 3.79Å; V60-F90 HydrophobicContact CG2-CE1 3.77Å
61	G	67.4	Low	82.3	Confident	9 Å²	9	65.3 Å²	65.3	9%	0.093	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-17.7	179.3	0	0	0	0	0	115	I57 L58 Q59	I57-G61 PolarHBondContact O-N 3.37Å; L58-G61 PolarHBondContact O-N 2.98Å; Q59-G61 VanDerWaalsContact C-N 3.33Å; Q59-G61 PolarHBondContact O-N 3.07Å
62	S	69.5	Low	81.8	Confident	75 Å²	75	67 Å²	67	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-95.4	-17.1	-175	69.5	0	0	0	0	115	L58 Q59 V60	L58-S62 PolarHBondContact O-N 3.45Å; Q59-S62 PolarHBondContact O-N 2.8Å; Q59-S62 VanDerWaalsContact O-N 3.15Å; Q59-S62 PolarHBondContact O-OG 3.36Å; V60-S62 PolarHBondContact O-N 2.84Å
63	E	69.4	Low	81.2	Confident	164 Å²	164	72 Å²	72	77%	0.766	39%	0.394	S	S	*	.	H	α-helix	trans	-90	-17.4	-171.6	-69.5	-178.7	171.9	0	0	113.5
64	D	69	Low	80.6	Confident	55 Å²	55	69.6 Å²	69.6	29%	0.294	38%	0.378	S	S	.	.			trans	-118.6	117.3	-170.3	-172.9	-4.7	0	0	0	112.8	Q66 M67 H68	D64-Q66 PolarHBondContact O-N 2.91Å; D64-Q66 VanDerWaalsContact OD1-CB 3.29Å; D64-Q66 WeakPolarHBondContact OD1-CB 3.05Å; D64-Q66 PolarHBondContact OD1-N 3.49Å; D64-M67 HydrophobicContact CB-CB 4.02Å; D64-M67 HydrophobicContact CB-CG 3.71Å; D64-M67 WeakPolarHBondContact O-CB 3.34Å; D64-M67 PolarHBondContact O-N 3.15Å; D64-M67 VanDerWaalsContact O-N 3.08Å; D64-H68 PolarHBondContact O-CD2 3.34Å; D64-H68 PolarHBondContact O-N 3.42Å; D64-H68 VanDerWaalsContact O-N 3.15Å
65	A	76.7	Confident	80.3	Confident	81 Å²	81	71.1 Å²	71.1	67%	0.669	38%	0.384	S	S	*	.	H	α-helix	trans	-61.6	-30.2	176	0	0	0	0	0	112.9	M67 H68 A69	A65-M67 VanDerWaalsContact C-N 3.35Å; A65-H68 PolarHBondContact O-N 3.48Å; A65-A69 PolarHBondContact O-N 2.62Å
66	Q	79	Confident	79.9	Confident	113 Å²	113	67.3 Å²	67.3	53%	0.528	38%	0.382	S	S	.	.	H	α-helix	trans	-68.1	-36.6	174.6	-172.4	176.5	-9.9	0	0	111	D64 A69 L70	D64-Q66 PolarHBondContact O-N 2.91Å; D64-Q66 VanDerWaalsContact OD1-CB 3.29Å; D64-Q66 WeakPolarHBondContact OD1-CB 3.05Å; D64-Q66 PolarHBondContact OD1-N 3.49Å; Q66-A69 PolarHBondContact O-N 2.92Å; Q66-L70 PolarHBondContact O-N 3.29Å
67	M	78.8	Confident	79.1	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-39.9	174.1	-68.5	-61	93.8	0	0	112.3	D64 A65 A69 L70 F71 V89 P92	D64-M67 HydrophobicContact CB-CB 4.02Å; D64-M67 HydrophobicContact CB-CG 3.71Å; D64-M67 WeakPolarHBondContact O-CB 3.34Å; D64-M67 PolarHBondContact O-N 3.15Å; D64-M67 VanDerWaalsContact O-N 3.08Å; A65-M67 VanDerWaalsContact C-N 3.35Å; M67-A69 VanDerWaalsContact C-N 3.31Å; M67-A69 PolarHBondContact O-N 3.43Å; M67-L70 HydrophobicContact CE-CB 4.45Å; M67-L70 HydrophobicContact CE-CD2 3.78Å; M67-L70 PolarHBondContact O-N 2.67Å; M67-L70 HydrophobicContact SD-CD2 4.25Å; M67-F71 WeakPolarHBondContact O-CB 3.36Å; M67-F71 WeakPolarHBondContact O-CG 3.33Å; M67-F71 PolarHBondContact O-N 3.36Å; M67-V89 HydrophobicContact CG-CG2 4.49Å; M67-V89 HydrophobicContact SD-CG2 4.21Å; M67-P92 HydrophobicContact CE-CB 3.35Å; M67-P92 HydrophobicContact CE-CG 3.91Å; M67-P92 HydrophobicContact CG-CG 4.31Å; M67-P92 HydrophobicContact SD-CB 3.74Å; M67-P92 HydrophobicContact SD-CG 3.67Å
68	H	79.7	Confident	78.3	Confident	105 Å²	105	69.4 Å²	69.4	49%	0.486	40%	0.403	S	S	.	.	H	α-helix	trans	-59.5	-41.6	174	-80.8	-73.3	0	0	0	112.7	D64 A65 A72	D64-H68 PolarHBondContact O-CD2 3.34Å; D64-H68 PolarHBondContact O-N 3.42Å; D64-H68 VanDerWaalsContact O-N 3.15Å; A65-H68 PolarHBondContact O-N 3.48Å; H68-A72 WeakPolarHBondContact O-CB 3.47Å; H68-A72 PolarHBondContact O-N 3.18Å
69	A	83.4	Confident	78	Confident	52 Å²	52	67.5 Å²	67.5	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-46.4	175.2	0	0	0	0	0	111.4	A65 Q66 M67 F71 A72 D73	A65-A69 PolarHBondContact O-N 2.62Å; Q66-A69 PolarHBondContact O-N 2.92Å; M67-A69 VanDerWaalsContact C-N 3.31Å; M67-A69 PolarHBondContact O-N 3.43Å; A69-F71 VanDerWaalsContact C-N 3.3Å; A69-F71 PolarHBondContact O-N 3.02Å; A69-A72 PolarHBondContact O-N 2.85Å; A69-A72 VanDerWaalsContact O-N 3.14Å; A69-D73 PolarHBondContact O-N 2.62Å
70	L	83	Confident	78	Confident	24 Å²	24	64 Å²	64	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-59.2	-40.5	178.5	-172.2	64.6	0	0	0	112.3	Q66 M67 S74 L95 E96 L99	Q66-L70 PolarHBondContact O-N 3.29Å; M67-L70 HydrophobicContact CE-CB 4.45Å; M67-L70 HydrophobicContact CE-CD2 3.78Å; M67-L70 PolarHBondContact O-N 2.67Å; M67-L70 HydrophobicContact SD-CD2 4.25Å; L70-S74 WeakPolarHBondContact O-CB 3.48Å; L70-S74 PolarHBondContact O-N 3.35Å; L70-S74 PolarHBondContact O-OG 2.72Å; L70-L95 HydrophobicContact CD2-CB 4.4Å; L70-L95 HydrophobicContact CD2-CD2 3.85Å; L70-L95 HydrophobicContact CD2-CG 3.84Å; L70-E96 HydrophobicContact CD1-CB 4.28Å; L70-E96 HydrophobicContact CD1-CG 4.17Å; L70-E96 HydrophobicContact CD2-CB 4.33Å; L70-L99 HydrophobicContact CD1-CD1 3.74Å; L70-L99 HydrophobicContact CD2-CD1 4.08Å; L70-L99 HydrophobicContact CG-CD1 3.77Å
71	F	82.9	Confident	78.4	Confident	29 Å²	29	64.3 Å²	64.3	13%	0.127	39%	0.387	C	S	.	.	H	α-helix	trans	-69.1	-41	174.6	-72.3	-20.1	0	0	0	113	M67 A69 D73 S74 F75 L81 T85 L86 V89 L95	M67-F71 WeakPolarHBondContact O-CB 3.36Å; M67-F71 WeakPolarHBondContact O-CG 3.33Å; M67-F71 PolarHBondContact O-N 3.36Å; A69-F71 VanDerWaalsContact C-N 3.3Å; A69-F71 PolarHBondContact O-N 3.02Å; F71-D73 VanDerWaalsContact C-N 3.31Å; F71-D73 PolarHBondContact O-N 3.31Å; F71-S74 PolarHBondContact O-N 3.49Å; F71-F75 WeakPolarHBondContact O-CB 3.47Å; F71-F75 PolarHBondContact O-N 3.17Å; F71-L81 HydrophobicContact CB-CD1 4.02Å; F71-L81 HydrophobicContact CB-CD2 4.28Å; F71-L81 HydrophobicContact CD1-CD1 4.37Å; F71-L81 HydrophobicContact CD1-CD2 4.01Å; F71-L81 HydrophobicContact CG-CD1 4.1Å; F71-L81 HydrophobicContact CG-CD2 4.4Å; F71-T85 HydrophobicContact CD1-CG2 4.5Å; F71-T85 HydrophobicContact CE1-CG2 4.25Å; F71-L86 HydrophobicContact CZ-CD2 4.41Å; F71-V89 HydrophobicContact CE1-CG2 4.35Å; F71-V89 HydrophobicContact CE2-CG2 4.27Å; F71-V89 HydrophobicContact CZ-CB 4.14Å; F71-V89 HydrophobicContact CZ-CG2 3.54Å; F71-L95 HydrophobicContact CE1-CD2 4.2Å
72	A	83.9	Confident	79.5	Confident	57 Å²	57	64.8 Å²	64.8	47%	0.471	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-43.7	176	0	0	0	0	0	111	H68 A69 A76	H68-A72 WeakPolarHBondContact O-CB 3.47Å; H68-A72 PolarHBondContact O-N 3.18Å; A69-A72 PolarHBondContact O-N 2.85Å; A69-A72 VanDerWaalsContact O-N 3.14Å; A72-A76 VanDerWaalsContact O-CB 3.22Å; A72-A76 WeakPolarHBondContact O-CB 3.17Å; A72-A76 PolarHBondContact O-N 3.37Å
73	D	83.2	Confident	80.7	Confident	110 Å²	110	62 Å²	62	59%	0.588	37%	0.367	S	S	*	.	H	α-helix	trans	-66.7	-45	177.9	-69.2	-17.1	0	0	0	111.5	A69 F71 F75 A76 A77	A69-D73 PolarHBondContact O-N 2.62Å; F71-D73 VanDerWaalsContact C-N 3.31Å; F71-D73 PolarHBondContact O-N 3.31Å; D73-F75 PolarHBondContact O-N 3.25Å; D73-A76 PolarHBondContact O-N 2.98Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3.38Å
74	S	81.3	Confident	81.9	Confident	10 Å²	10	54.3 Å²	54.3	7%	0.07	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-45.1	176.9	-58.5	0	0	0	0	111.7	L70 F71 A77 L78 L99	L70-S74 WeakPolarHBondContact O-CB 3.48Å; L70-S74 PolarHBondContact O-N 3.35Å; L70-S74 PolarHBondContact O-OG 2.72Å; F71-S74 PolarHBondContact O-N 3.49Å; S74-A77 PolarHBondContact O-N 3.14Å; S74-L78 WeakPolarHBondContact O-CB 3.26Å; S74-L78 PolarHBondContact O-N 3.04Å; S74-L99 WeakPolarHBondContact OG-CD1 3.07Å
75	F	84.2	Confident	83.1	Confident	116 Å²	116	51.8 Å²	51.8	51%	0.509	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-39.8	176.9	-175.5	-94.2	0	0	0	111.5	F71 D73 A77 G79 L81	F71-F75 WeakPolarHBondContact O-CB 3.47Å; F71-F75 PolarHBondContact O-N 3.17Å; D73-F75 PolarHBondContact O-N 3.25Å; F75-A77 VanDerWaalsContact C-N 3.32Å; F75-A77 PolarHBondContact O-N 3.05Å; F75-G79 WeakPolarHBondContact CE2-O 3.34Å; F75-G79 WeakPolarHBondContact O-CA 3.08Å; F75-G79 PolarHBondContact O-N 3.48Å; F75-L81 HydrophobicContact CB-CD2 4.5Å; F75-L81 HydrophobicContact CB-CG 4.34Å; F75-L81 HydrophobicContact CD2-CG 4.44Å
76	A	82.5	Confident	83.8	Confident	84 Å²	84	49.5 Å²	49.5	69%	0.694	29%	0.294	S	S	*	.	H	α-helix	trans	-65.1	-35.4	175.6	0	0	0	0	0	112.4	A72 D73	A72-A76 VanDerWaalsContact O-CB 3.22Å; A72-A76 WeakPolarHBondContact O-CB 3.17Å; A72-A76 PolarHBondContact O-N 3.37Å; D73-A76 PolarHBondContact O-N 2.98Å
77	A	75.1	Confident	84.6	Confident	50 Å²	50	44.1 Å²	44.1	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-80.9	-36.3	-178.8	0	0	0	0	0	114	D73 S74 F75 Q107	D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3.38Å; S74-A77 PolarHBondContact O-N 3.14Å; F75-A77 VanDerWaalsContact C-N 3.32Å; F75-A77 PolarHBondContact O-N 3.05Å; A77-Q107 PolarHBondContact O-NE2 3Å
78	L	72.4	Confident	85.4	Confident	70 Å²	70	44 Å²	44	37%	0.366	27%	0.269	S	S	.	.	H	α-helix	trans	-108.8	-12.8	-173.7	-61.7	174.5	0	0	0	113.7	S74 R80	S74-L78 WeakPolarHBondContact O-CB 3.26Å; S74-L78 PolarHBondContact O-N 3.04Å; L78-R80 HydrophobicContact CB-CG 4.26Å; L78-R80 PolarHBondContact O-N 3.48Å
79	G	76.8	Confident	86	Confident	54 Å²	54	39.1 Å²	39.1	56%	0.557	25%	0.246	S	C	*	.	S	Bend	trans	69.7	4.9	-171.4	0	0	0	0	0	114.1	F75	F75-G79 WeakPolarHBondContact CE2-O 3.34Å; F75-G79 WeakPolarHBondContact O-CA 3.08Å; F75-G79 PolarHBondContact O-N 3.48Å
80	R	82.6	Confident	86.4	Confident	39 Å²	39	37.6 Å²	37.6	15%	0.147	23%	0.23	C	C	.	.	S	Bend	trans	-155.1	159.1	-177.7	63.5	-179.9	176.4	173.6	-3.7	112	L78 D140	L78-R80 HydrophobicContact CB-CG 4.26Å; L78-R80 PolarHBondContact O-N 3.48Å; R80-D140 IonicContact NH2-OD1 2.93Å; R80-D140 PolarHBondContact NH2-OD1 3.02Å; R80-D140 IonicContact NH2-OD2 2.66Å; R80-D140 PolarHBondContact NH2-OD2 3.31Å
81	L	85.7	Confident	87	Confident	51 Å²	51	36.6 Å²	36.6	27%	0.267	22%	0.224	S	C	.	.			trans	-112.7	110.9	161.4	-67.6	172.3	0	0	0	107	F71 F75 T85	F71-L81 HydrophobicContact CB-CD1 4.02Å; F71-L81 HydrophobicContact CB-CD2 4.28Å; F71-L81 HydrophobicContact CD1-CD1 4.37Å; F71-L81 HydrophobicContact CD1-CD2 4.01Å; F71-L81 HydrophobicContact CG-CD1 4.1Å; F71-L81 HydrophobicContact CG-CD2 4.4Å; F75-L81 HydrophobicContact CB-CD2 4.5Å; F75-L81 HydrophobicContact CB-CG 4.34Å; F75-L81 HydrophobicContact CD2-CG 4.44Å; L81-T85 HydrophobicContact CD2-CG2 4.13Å
82	D	91.4	Very high	87.4	Confident	19 Å²	19	36.9 Å²	36.9	10%	0.102	23%	0.229	C	C	.	.			trans	-79.9	161.5	177.7	60.2	53.7	0	0	0	112	I84 T85 L86 L136	D82-I84 PolarHBondContact O-N 3.11Å; D82-I84 WeakPolarHBondContact OD1-CB 3Å; D82-I84 PolarHBondContact OD1-N 3.26Å; D82-T85 WeakPolarHBondContact O-CB 3.44Å; D82-T85 PolarHBondContact O-N 2.89Å; D82-T85 WeakPolarHBondContact OD1-CB 3.5Å; D82-T85 PolarHBondContact OD1-N 3.26Å; D82-T85 PolarHBondContact OD1-OG1 3.41Å; D82-L86 WeakPolarHBondContact O-CG 3.37Å; D82-L86 PolarHBondContact O-N 3.34Å; D82-L136 HydrophobicContact CB-CD1 4.49Å
83	N	93.8	Very high	87.8	Confident	16 Å²	16	39.7 Å²	39.7	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-25.7	-177.6	-71.5	-30.9	0	0	0	113.5	P48 L86 V87 Y132 I221 S222 E224	P48-N83 WeakPolarHBondContact CA-OD1 3.34Å; P48-N83 HydrophobicContact CB-CB 3.91Å; N83-L86 PolarHBondContact O-N 3.49Å; N83-V87 WeakPolarHBondContact O-CG2 3.45Å; N83-V87 PolarHBondContact O-N 3.46Å; N83-Y132 HydrophobicContact CB-CE2 4.4Å; N83-Y132 PolarHBondContact N-OH 3.42Å; N83-Y132 VanDerWaalsContact N-OH 3.17Å; N83-I221 HydrophobicContact CB-CG2 3.69Å; N83-S222 PolarHBondContact ND2-O 3.48Å; N83-E224 WeakPolarHBondContact CB-OE1 3.45Å; N83-E224 PolarHBondContact N-OE1 3.07Å; N83-E224 PolarHBondContact ND2-OE1 3Å
84	I	95.5	Very high	88.4	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-50.6	172.3	-71.7	178.6	0	0	0	109.8	D82 L86 V87 M88 F98 Y132 L133 L212 F215 I221	D82-I84 PolarHBondContact O-N 3.11Å; D82-I84 WeakPolarHBondContact OD1-CB 3Å; D82-I84 PolarHBondContact OD1-N 3.26Å; I84-L86 VanDerWaalsContact C-N 3.26Å; I84-L86 PolarHBondContact O-N 3.29Å; I84-V87 PolarHBondContact O-N 2.92Å; I84-V87 VanDerWaalsContact O-N 3.14Å; I84-M88 HydrophobicContact CG2-CE 3.81Å; I84-M88 HydrophobicContact CG2-CG 4.43Å; I84-M88 HydrophobicContact CG2-SD 3.99Å; I84-M88 WeakPolarHBondContact O-CG 3.33Å; I84-M88 PolarHBondContact O-N 2.98Å; I84-F98 HydrophobicContact CG2-CE1 4.4Å; I84-F98 HydrophobicContact CG2-CZ 4.32Å; I84-Y132 HydrophobicContact CD1-CD1 4.11Å; I84-Y132 HydrophobicContact CD1-CE1 3.48Å; I84-Y132 VanDerWaalsContact CD1-CE1 3.48Å; I84-Y132 HydrophobicContact CG1-CD1 4.48Å; I84-Y132 HydrophobicContact CG1-CE1 3.61Å; I84-Y132 PolarHBondContact N-OH 3.3Å; I84-L133 HydrophobicContact CD1-CD2 3.62Å; I84-L212 HydrophobicContact CD1-CD1 4.02Å; I84-L212 HydrophobicContact CD1-CD2 4.08Å; I84-L212 HydrophobicContact CD1-CG 3.91Å; I84-L212 HydrophobicContact CG2-CD1 4.09Å; I84-F215 HydrophobicContact CG2-CD1 4.12Å; I84-F215 HydrophobicContact CG2-CE1 4.04Å; I84-I221 HydrophobicContact CG1-CG1 4.23Å; I84-I221 HydrophobicContact CG1-CG2 4.27Å
85	T	93.1	Very high	89	Confident	2 Å²	2	34 Å²	34	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-56.3	-43.8	177.1	-60.6	0	0	0	0	110.6	F71 L81 D82 V87 M88 V89 L95 L99	F71-T85 HydrophobicContact CD1-CG2 4.5Å; F71-T85 HydrophobicContact CE1-CG2 4.25Å; L81-T85 HydrophobicContact CD2-CG2 4.13Å; D82-T85 WeakPolarHBondContact O-CB 3.44Å; D82-T85 PolarHBondContact O-N 2.89Å; D82-T85 WeakPolarHBondContact OD1-CB 3.5Å; D82-T85 PolarHBondContact OD1-N 3.26Å; D82-T85 PolarHBondContact OD1-OG1 3.41Å; T85-V87 PolarHBondContact O-N 2.88Å; T85-M88 PolarHBondContact O-N 3.2Å; T85-V89 PolarHBondContact O-N 2.84Å; T85-L95 HydrophobicContact CG2-CD1 4.09Å; T85-L95 HydrophobicContact CG2-CD2 4.48Å; T85-L99 HydrophobicContact CG2-CD2 4.45Å
86	L	92.3	Very high	89.4	Confident	34 Å²	34	31.3 Å²	31.3	18%	0.178	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-37.9	177.8	-67	175.4	0	0	0	112.8	P48 I57 F71 D82 N83 I84 V89	P48-L86 HydrophobicContact CB-CB 3.94Å; P48-L86 HydrophobicContact CB-CD1 4.3Å; P48-L86 HydrophobicContact CG-CB 3.76Å; P48-L86 HydrophobicContact CG-CD1 3.64Å; P48-L86 HydrophobicContact CG-CG 4.35Å; I57-L86 HydrophobicContact CG2-CB 4.37Å; I57-L86 WeakPolarHBondContact CG2-O 3.29Å; F71-L86 HydrophobicContact CZ-CD2 4.41Å; D82-L86 WeakPolarHBondContact O-CG 3.37Å; D82-L86 PolarHBondContact O-N 3.34Å; N83-L86 PolarHBondContact O-N 3.49Å; I84-L86 VanDerWaalsContact C-N 3.26Å; I84-L86 PolarHBondContact O-N 3.29Å; L86-V89 WeakPolarHBondContact O-CB 3.41Å; L86-V89 WeakPolarHBondContact O-CG1 3.47Å
87	V	95.4	Very high	90	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-75.1	-35.8	177	171.9	0	0	0	0	112.1	P48 I52 I57 N83 I84 T85 V89 F90 F215 C219 I221 V465	P48-V87 HydrophobicContact CB-CG2 3.99Å; I52-V87 HydrophobicContact CD1-CG1 4.13Å; I57-V87 HydrophobicContact CD1-CG2 3.99Å; N83-V87 WeakPolarHBondContact O-CG2 3.45Å; N83-V87 PolarHBondContact O-N 3.46Å; I84-V87 PolarHBondContact O-N 2.92Å; I84-V87 VanDerWaalsContact O-N 3.14Å; T85-V87 PolarHBondContact O-N 2.88Å; V87-V89 PolarHBondContact O-N 3.09Å; V87-V89 VanDerWaalsContact O-N 3.1Å; V87-F90 VanDerWaalsContact O-CD2 3.25Å; V87-F90 WeakPolarHBondContact O-CD2 3.41Å; V87-F215 HydrophobicContact CG1-CE1 4.4Å; V87-F215 HydrophobicContact CG1-CZ 4.04Å; V87-C219 HydrophobicContact CG1-CB 4.03Å; V87-I221 HydrophobicContact CB-CD1 3.81Å; V87-I221 HydrophobicContact CG1-CD1 4.24Å; V87-I221 HydrophobicContact CG2-CD1 3.47Å; V87-I221 VanDerWaalsContact CG2-CD1 3.47Å; V87-V465 HydrophobicContact CG1-CG1 4.28Å; V87-V465 HydrophobicContact CG1-CG2 3.9Å
88	M	95.3	Very high	91	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-10.1	176.7	-75.4	-176.4	176.2	0	0	113.4	I84 T85 F90 H91 Y94 L95 F98 L212 F215 L469 I472	I84-M88 HydrophobicContact CG2-CE 3.81Å; I84-M88 HydrophobicContact CG2-CG 4.43Å; I84-M88 HydrophobicContact CG2-SD 3.99Å; I84-M88 WeakPolarHBondContact O-CG 3.33Å; I84-M88 PolarHBondContact O-N 2.98Å; T85-M88 PolarHBondContact O-N 3.2Å; M88-F90 PolarHBondContact O-N 3.49Å; M88-F90 VanDerWaalsContact O-N 3.09Å; M88-H91 CarbonylContact O-C 3.32Å; M88-H91 PolarHBondContact O-N 3.05Å; M88-Y94 HydrophobicContact CE-CE1 3.88Å; M88-Y94 HydrophobicContact SD-CD1 4.34Å; M88-Y94 HydrophobicContact SD-CE1 3.88Å; M88-L95 HydrophobicContact CB-CB 4.21Å; M88-L95 HydrophobicContact CB-CD1 3.8Å; M88-L95 HydrophobicContact CB-CG 4.39Å; M88-L95 HydrophobicContact SD-CD1 4.38Å; M88-F98 HydrophobicContact CE-CD1 4.48Å; M88-F98 HydrophobicContact CE-CD2 3.94Å; M88-F98 HydrophobicContact CE-CE1 4.43Å; M88-F98 HydrophobicContact CE-CE2 3.9Å; M88-F98 HydrophobicContact CE-CG 4.25Å; M88-F98 HydrophobicContact CE-CZ 4.16Å; M88-F98 HydrophobicContact SD-CB 4.31Å; M88-F98 HydrophobicContact SD-CD1 3.69Å; M88-F98 HydrophobicContact SD-CD2 4.07Å; M88-F98 HydrophobicContact SD-CE1 3.98Å; M88-F98 HydrophobicContact SD-CE2 4.34Å; M88-F98 HydrophobicContact SD-CG 3.74Å; M88-F98 HydrophobicContact SD-CZ 4.3Å; M88-L212 HydrophobicContact CE-CD1 4.1Å; M88-F215 HydrophobicContact CE-CD1 3.86Å; M88-F215 HydrophobicContact CE-CD2 4.36Å; M88-F215 HydrophobicContact CE-CE1 3.75Å; M88-F215 HydrophobicContact CE-CE2 4.26Å; M88-F215 HydrophobicContact CE-CG 4.16Å; M88-F215 HydrophobicContact CE-CZ 3.96Å; M88-F215 HydrophobicContact CG-CE1 3.84Å; M88-F215 HydrophobicContact CG-CE2 4.44Å; M88-F215 HydrophobicContact CG-CZ 3.61Å; M88-L469 HydrophobicContact CE-CD2 4.11Å; M88-L469 HydrophobicContact CG-CD2 4.4Å; M88-I472 HydrophobicContact CE-CD1 4.48Å
89	V	92	Very high	92.1	Very high	2 Å²	2	23 Å²	23	1%	0.012	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-24	177	80.9	0	0	0	0	113.7	I57 V60 M67 F71 T85 L86 V87 H91 P92	I57-V89 HydrophobicContact CG2-CG1 4.1Å; V60-V89 HydrophobicContact CB-CG1 4.12Å; V60-V89 HydrophobicContact CG1-CG1 4.18Å; V60-V89 HydrophobicContact CG1-CG2 4.22Å; V60-V89 WeakPolarHBondContact CG1-O 3.41Å; M67-V89 HydrophobicContact CG-CG2 4.49Å; M67-V89 HydrophobicContact SD-CG2 4.21Å; F71-V89 HydrophobicContact CE1-CG2 4.35Å; F71-V89 HydrophobicContact CE2-CG2 4.27Å; F71-V89 HydrophobicContact CZ-CB 4.14Å; F71-V89 HydrophobicContact CZ-CG2 3.54Å; T85-V89 PolarHBondContact O-N 2.84Å; L86-V89 WeakPolarHBondContact O-CB 3.41Å; L86-V89 WeakPolarHBondContact O-CG1 3.47Å; V87-V89 PolarHBondContact O-N 3.09Å; V87-V89 VanDerWaalsContact O-N 3.1Å; V89-H91 PolarHBondContact O-N 3.38Å; V89-H91 VanDerWaalsContact O-N 3.09Å; V89-P92 WeakPolarHBondContact O-CD 3.46Å
90	F	93.1	Very high	92.9	Very high	19 Å²	19	24.8 Å²	24.8	8%	0.083	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23	173.1	-72.6	-66.7	0	0	0	112.8	I52 E56 I57 V60 V87 M88 V465	I52-F90 HydrophobicContact CD1-CE2 4.18Å; I52-F90 HydrophobicContact CG2-CE2 4.11Å; I52-F90 HydrophobicContact CG2-CZ 4.06Å; E56-F90 HydrophobicContact CB-CZ 4.38Å; I57-F90 HydrophobicContact CG1-CE2 3.91Å; I57-F90 HydrophobicContact CG1-CZ 4.04Å; V60-F90 HydrophobicContact CG2-CD1 3.79Å; V60-F90 HydrophobicContact CG2-CE1 3.77Å; V87-F90 VanDerWaalsContact O-CD2 3.25Å; V87-F90 WeakPolarHBondContact O-CD2 3.41Å; M88-F90 PolarHBondContact O-N 3.49Å; M88-F90 VanDerWaalsContact O-N 3.09Å; F90-V465 HydrophobicContact CB-CG1 4.46Å; F90-V465 HydrophobicContact CD2-CB 4.23Å; F90-V465 HydrophobicContact CD2-CG1 4.39Å; F90-V465 HydrophobicContact CD2-CG2 3.83Å; F90-V465 HydrophobicContact CE2-CG2 4.24Å
91	H	94.4	Very high	93.5	Very high	3 Å²	3	23 Å²	23	1%	0.014	11%	0.113	C	C	.	.			trans	-130.9	76.4	-178.9	-54.8	-56.1	0	0	0	111.7	M88 V89 Q93 Y94 L95 L385 Y387 S462 H466 L469	M88-H91 CarbonylContact O-C 3.32Å; M88-H91 PolarHBondContact O-N 3.05Å; V89-H91 PolarHBondContact O-N 3.38Å; V89-H91 VanDerWaalsContact O-N 3.09Å; H91-Q93 VanDerWaalsContact C-N 3.32Å; H91-Q93 PolarHBondContact O-N 3.14Å; H91-Q93 VanDerWaalsContact O-N 3.17Å; H91-Y94 PolarHBondContact O-N 3.01Å; H91-Y94 VanDerWaalsContact O-N 3.07Å; H91-L95 PolarHBondContact O-N 2.81Å; H91-L385 HydrophobicContact CB-CD2 3.98Å; H91-Y387 AromaticContact CE1-CE2 3.64Å; H91-Y387 AromaticContact ND1-CE2 3.36Å; H91-Y387 WeakPolarHBondContact ND1-CE2 3.45Å; H91-Y387 AromaticContact ND1-CZ 3.59Å; H91-Y387 PolarHBondContact ND1-OH 2.65Å; H91-S462 PolarHBondContact CE1-O 3.06Å; H91-S462 PolarHBondContact NE2-O 2.89Å; H91-H466 WeakPolarHBondContact NE2-CA 3.45Å; H91-H466 WeakPolarHBondContact NE2-CB 2.89Å; H91-H466 PolarHBondContact NE2-N 2.9Å; H91-H466 VanDerWaalsContact NE2-N 3.16Å; H91-L469 HydrophobicContact CB-CD1 3.9Å; H91-L469 VanDerWaalsContact CD2-CD1 3.47Å; H91-L469 WeakPolarHBondContact CD2-CD1 3.18Å
92	P	91.2	Very high	94	Very high	35 Å²	35	22.1 Å²	22.1	23%	0.227	11%	0.108	C	C	.	.	H	α-helix	trans	-40.7	-50.6	179.1	-40.1	43.7	0	0	0	116	M67 V89 Y94 L95 E96	M67-P92 HydrophobicContact CE-CB 3.35Å; M67-P92 HydrophobicContact CE-CG 3.91Å; M67-P92 HydrophobicContact CG-CG 4.31Å; M67-P92 HydrophobicContact SD-CB 3.74Å; M67-P92 HydrophobicContact SD-CG 3.67Å; V89-P92 WeakPolarHBondContact O-CD 3.46Å; P92-Y94 PolarHBondContact O-N 3.48Å; P92-L95 PolarHBondContact O-N 3.16Å; P92-E96 PolarHBondContact O-N 3.33Å
93	Q	92.1	Very high	94.1	Very high	117 Å²	117	25.1 Å²	25.1	55%	0.547	12%	0.121	S	C	.	.	H	α-helix	trans	-65.3	-41.1	-175.8	-173.4	-179.3	9.8	0	0	111.9	H91 S97 I381	H91-Q93 VanDerWaalsContact C-N 3.32Å; H91-Q93 PolarHBondContact O-N 3.14Å; H91-Q93 VanDerWaalsContact O-N 3.17Å; Q93-S97 PolarHBondContact O-N 3.27Å; Q93-I381 HydrophobicContact CG-CD1 4.13Å; Q93-I381 HydrophobicContact CG-CG1 4.33Å; Q93-I381 HydrophobicContact CG-CG2 4.2Å
94	Y	96.1	Very high	94.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.4	-43.6	175.6	177.5	-85.1	0	0	0	110.6	M88 H91 P92 E96 S97 F98 I381 A382 L469 E473	M88-Y94 HydrophobicContact CE-CE1 3.88Å; M88-Y94 HydrophobicContact SD-CD1 4.34Å; M88-Y94 HydrophobicContact SD-CE1 3.88Å; H91-Y94 PolarHBondContact O-N 3.01Å; H91-Y94 VanDerWaalsContact O-N 3.07Å; P92-Y94 PolarHBondContact O-N 3.48Å; Y94-E96 VanDerWaalsContact C-N 3.31Å; Y94-E96 PolarHBondContact O-N 3.47Å; Y94-S97 PolarHBondContact O-N 3.36Å; Y94-F98 HydrophobicContact CD1-CB 4.33Å; Y94-F98 HydrophobicContact CE1-CB 3.92Å; Y94-F98 HydrophobicContact CE1-CD2 4.31Å; Y94-F98 HydrophobicContact CE1-CG 4.35Å; Y94-F98 WeakPolarHBondContact O-CB 3.04Å; Y94-F98 PolarHBondContact O-N 3.43Å; Y94-I381 HydrophobicContact CD2-CG2 4.28Å; Y94-A382 HydrophobicContact CD2-CB 4.13Å; Y94-A382 HydrophobicContact CE2-CB 4.07Å; Y94-L469 HydrophobicContact CD1-CD1 3.64Å; Y94-L469 HydrophobicContact CD1-CD2 3.69Å; Y94-L469 HydrophobicContact CD1-CG 4.25Å; Y94-L469 HydrophobicContact CD2-CD1 4.31Å; Y94-L469 HydrophobicContact CE1-CD1 4.2Å; Y94-L469 HydrophobicContact CE1-CD2 3.37Å; Y94-L469 HydrophobicContact CE1-CG 4.32Å; Y94-L469 HydrophobicContact CE2-CD2 4.48Å; Y94-L469 HydrophobicContact CG-CD1 3.72Å; Y94-L469 HydrophobicContact CG-CD2 4.4Å; Y94-E473 HydrophobicContact CE2-CG 3.91Å; Y94-E473 PolarHBondContact OH-OE1 3.06Å
95	L	94.2	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-43.3	178.9	175	58	0	0	0	111.7	L70 F71 T85 M88 H91 P92 S97 F98 L99	L70-L95 HydrophobicContact CD2-CB 4.4Å; L70-L95 HydrophobicContact CD2-CD2 3.85Å; L70-L95 HydrophobicContact CD2-CG 3.84Å; F71-L95 HydrophobicContact CE1-CD2 4.2Å; T85-L95 HydrophobicContact CG2-CD1 4.09Å; T85-L95 HydrophobicContact CG2-CD2 4.48Å; M88-L95 HydrophobicContact CB-CB 4.21Å; M88-L95 HydrophobicContact CB-CD1 3.8Å; M88-L95 HydrophobicContact CB-CG 4.39Å; M88-L95 HydrophobicContact SD-CD1 4.38Å; H91-L95 PolarHBondContact O-N 2.81Å; P92-L95 PolarHBondContact O-N 3.16Å; L95-S97 PolarHBondContact O-N 2.82Å; L95-F98 HydrophobicContact CD1-CD1 4.43Å; L95-F98 WeakPolarHBondContact O-CB 3.35Å; L95-F98 PolarHBondContact O-N 3.14Å; L95-L99 HydrophobicContact CD1-CD1 3.71Å; L95-L99 HydrophobicContact CD1-CD2 4.35Å; L95-L99 HydrophobicContact CD1-CG 3.79Å; L95-L99 HydrophobicContact CG-CD1 3.83Å; L95-L99 HydrophobicContact CG-CG 4.35Å; L95-L99 WeakPolarHBondContact O-CB 3.37Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.41Å; L95-L99 PolarHBondContact O-N 3.5Å
96	E	92.4	Very high	94.4	Very high	60 Å²	60	26.5 Å²	26.5	28%	0.28	13%	0.126	S	C	.	.	H	α-helix	trans	-59.3	-48	176.6	-173.8	-176.8	162.9	0	0	112	L70 P92 Y94 F98 L99 K100	L70-E96 HydrophobicContact CD1-CB 4.28Å; L70-E96 HydrophobicContact CD1-CG 4.17Å; L70-E96 HydrophobicContact CD2-CB 4.33Å; P92-E96 PolarHBondContact O-N 3.33Å; Y94-E96 VanDerWaalsContact C-N 3.31Å; Y94-E96 PolarHBondContact O-N 3.47Å; E96-F98 VanDerWaalsContact C-N 3.35Å; E96-L99 PolarHBondContact O-N 3.36Å; E96-K100 HydrophobicContact CG-CD 4.47Å; E96-K100 WeakPolarHBondContact O-CG 3.14Å; E96-K100 PolarHBondContact O-N 2.9Å; E96-K100 VanDerWaalsContact OE1-CE 3.28Å; E96-K100 WeakPolarHBondContact OE1-CE 3.36Å; E96-K100 IonicContact OE1-NZ 2.67Å; E96-K100 PolarHBondContact OE1-NZ 3.4Å
97	S	95.6	Very high	94.4	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-38.2	177.5	-176.6	0	0	0	0	112.2	Q93 Y94 L95 T101 K378	Q93-S97 PolarHBondContact O-N 3.27Å; Y94-S97 PolarHBondContact O-N 3.36Å; L95-S97 PolarHBondContact O-N 2.82Å; S97-T101 WeakPolarHBondContact O-CB 3.35Å; S97-T101 PolarHBondContact O-N 3.21Å; S97-T101 PolarHBondContact O-OG1 2.62Å; S97-K378 VanDerWaalsContact OG-CG 3.28Å; S97-K378 WeakPolarHBondContact OG-CG 3.4Å
98	F	96.5	Very high	94.4	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-48.7	174.6	175	-94.5	0	0	0	111.9	I84 M88 Y94 L95 E96 T101 Q102 H208 L212	I84-F98 HydrophobicContact CG2-CE1 4.4Å; I84-F98 HydrophobicContact CG2-CZ 4.32Å; M88-F98 HydrophobicContact CE-CD1 4.48Å; M88-F98 HydrophobicContact CE-CD2 3.94Å; M88-F98 HydrophobicContact CE-CE1 4.43Å; M88-F98 HydrophobicContact CE-CE2 3.9Å; M88-F98 HydrophobicContact CE-CG 4.25Å; M88-F98 HydrophobicContact CE-CZ 4.16Å; M88-F98 HydrophobicContact SD-CB 4.31Å; M88-F98 HydrophobicContact SD-CD1 3.69Å; M88-F98 HydrophobicContact SD-CD2 4.07Å; M88-F98 HydrophobicContact SD-CE1 3.98Å; M88-F98 HydrophobicContact SD-CE2 4.34Å; M88-F98 HydrophobicContact SD-CG 3.74Å; M88-F98 HydrophobicContact SD-CZ 4.3Å; Y94-F98 HydrophobicContact CD1-CB 4.33Å; Y94-F98 HydrophobicContact CE1-CB 3.92Å; Y94-F98 HydrophobicContact CE1-CD2 4.31Å; Y94-F98 HydrophobicContact CE1-CG 4.35Å; Y94-F98 WeakPolarHBondContact O-CB 3.04Å; Y94-F98 PolarHBondContact O-N 3.43Å; L95-F98 HydrophobicContact CD1-CD1 4.43Å; L95-F98 WeakPolarHBondContact O-CB 3.35Å; L95-F98 PolarHBondContact O-N 3.14Å; E96-F98 VanDerWaalsContact C-N 3.35Å; F98-T101 WeakPolarHBondContact O-CB 3.46Å; F98-T101 PolarHBondContact O-N 3.45Å; F98-Q102 HydrophobicContact CD1-CG 4.26Å; F98-Q102 HydrophobicContact CE1-CG 3.75Å; F98-Q102 HydrophobicContact CE2-CG 4.23Å; F98-Q102 HydrophobicContact CZ-CG 3.73Å; F98-Q102 PolarHBondContact O-N 3.49Å; F98-H208 AromaticContact CE2-CE1 3.7Å; F98-H208 AromaticContact CE2-NE2 3.79Å; F98-L212 HydrophobicContact CE2-CD1 3.8Å; F98-L212 HydrophobicContact CE2-CD2 4.42Å; F98-L212 HydrophobicContact CZ-CD1 3.85Å; F98-L212 HydrophobicContact CZ-CD2 4.05Å
99	L	93.9	Very high	94.3	Very high	22 Å²	22	39.4 Å²	39.4	12%	0.115	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-41.6	-179.9	-70.4	166.9	0	0	0	112.1	L70 S74 T85 L95 E96 T101 Q102 H103	L70-L99 HydrophobicContact CD1-CD1 3.74Å; L70-L99 HydrophobicContact CD2-CD1 4.08Å; L70-L99 HydrophobicContact CG-CD1 3.77Å; S74-L99 WeakPolarHBondContact OG-CD1 3.07Å; T85-L99 HydrophobicContact CG2-CD2 4.45Å; L95-L99 HydrophobicContact CD1-CD1 3.71Å; L95-L99 HydrophobicContact CD1-CD2 4.35Å; L95-L99 HydrophobicContact CD1-CG 3.79Å; L95-L99 HydrophobicContact CG-CD1 3.83Å; L95-L99 HydrophobicContact CG-CG 4.35Å; L95-L99 WeakPolarHBondContact O-CB 3.37Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.41Å; L95-L99 PolarHBondContact O-N 3.5Å; E96-L99 PolarHBondContact O-N 3.36Å; L99-T101 VanDerWaalsContact C-N 3.31Å; L99-T101 PolarHBondContact O-N 3.09Å; L99-Q102 PolarHBondContact O-N 2.91Å; L99-H103 WeakPolarHBondContact O-CB 3.17Å; L99-H103 PolarHBondContact O-N 2.85Å
100	K	94	Very high	94.6	Very high	91 Å²	91	40.7 Å²	40.7	40%	0.396	21%	0.205	S	C	.	.	H	α-helix	trans	-58	-45	172.7	-73.7	173.7	-174.4	167	0	111.4	E96 H103 Y104 L374	E96-K100 HydrophobicContact CG-CD 4.47Å; E96-K100 WeakPolarHBondContact O-CG 3.14Å; E96-K100 PolarHBondContact O-N 2.9Å; E96-K100 VanDerWaalsContact OE1-CE 3.28Å; E96-K100 WeakPolarHBondContact OE1-CE 3.36Å; E96-K100 IonicContact OE1-NZ 2.67Å; E96-K100 PolarHBondContact OE1-NZ 3.4Å; K100-H103 PolarHBondContact O-N 3.25Å; K100-Y104 WeakPolarHBondContact O-CB 3.5Å; K100-Y104 PolarHBondContact O-N 3.29Å; K100-L374 HydrophobicContact CB-CD2 4.23Å
101	T	96.7	Very high	94.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-46.9	177.3	-57.4	0	0	0	0	111.2	S97 F98 L99 H103 Y104 L105 K378	S97-T101 WeakPolarHBondContact O-CB 3.35Å; S97-T101 PolarHBondContact O-N 3.21Å; S97-T101 PolarHBondContact O-OG1 2.62Å; F98-T101 WeakPolarHBondContact O-CB 3.46Å; F98-T101 PolarHBondContact O-N 3.45Å; L99-T101 VanDerWaalsContact C-N 3.31Å; L99-T101 PolarHBondContact O-N 3.09Å; T101-H103 PolarHBondContact O-N 3.06Å; T101-Y104 PolarHBondContact O-N 3.43Å; T101-L105 HydrophobicContact CG2-CD1 3.91Å; T101-L105 HydrophobicContact CG2-CG 4.24Å; T101-L105 WeakPolarHBondContact O-CB 3.42Å; T101-L105 VanDerWaalsContact O-CG 3.26Å; T101-L105 WeakPolarHBondContact O-CG 3.43Å; T101-L105 PolarHBondContact O-N 2.97Å; T101-K378 HydrophobicContact CG2-CD 4.03Å; T101-K378 WeakPolarHBondContact OG1-CD 3.26Å
102	Q	94.8	Very high	94.9	Very high	33 Å²	33	41.8 Å²	41.8	15%	0.154	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-47.5	177.5	-82.1	-71.1	-73	0	0	112.3	F98 L99 Y104 L105 L106 H208 Y209	F98-Q102 HydrophobicContact CD1-CG 4.26Å; F98-Q102 HydrophobicContact CE1-CG 3.75Å; F98-Q102 HydrophobicContact CE2-CG 4.23Å; F98-Q102 HydrophobicContact CZ-CG 3.73Å; F98-Q102 PolarHBondContact O-N 3.49Å; L99-Q102 PolarHBondContact O-N 2.91Å; Q102-Y104 VanDerWaalsContact C-N 3.32Å; Q102-Y104 PolarHBondContact O-N 2.88Å; Q102-L105 PolarHBondContact O-N 2.92Å; Q102-L106 WeakPolarHBondContact O-CB 3.37Å; Q102-L106 PolarHBondContact O-N 3.31Å; Q102-H208 PolarHBondContact NE2-CD2 2.92Å; Q102-H208 PolarHBondContact NE2-NE2 3.29Å; Q102-Y209 PolarHBondContact NE2-OH 3.48Å; Q102-Y209 PolarHBondContact OE1-OH 3.36Å
103	H	93.5	Very high	95.3	Very high	82 Å²	82	43 Å²	43	38%	0.38	22%	0.222	S	C	.	.	H	α-helix	trans	-57	-46.3	176.3	179.4	72.8	0	0	0	111.5	L99 K100 T101 Q107 M108	L99-H103 WeakPolarHBondContact O-CB 3.17Å; L99-H103 PolarHBondContact O-N 2.85Å; K100-H103 PolarHBondContact O-N 3.25Å; T101-H103 PolarHBondContact O-N 3.06Å; H103-Q107 PolarHBondContact CE1-OE1 2.75Å; H103-Q107 PolarHBondContact ND1-OE1 3.27Å; H103-Q107 WeakPolarHBondContact O-CA 3.34Å; H103-Q107 WeakPolarHBondContact O-CB 3.43Å; H103-Q107 PolarHBondContact O-N 3.22Å; H103-M108 PolarHBondContact NE2-SD 3.12Å; H103-M108 VanDerWaalsContact NE2-SD 3.43Å; H103-M108 PolarHBondContact O-N 2.95Å
104	Y	96.1	Very high	95.5	Very high	36 Å²	36	40.6 Å²	40.6	14%	0.141	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-47.4	178.3	-166.2	-99.1	0	0	0	112.4	K100 T101 Q102 L106 M108 Y368 P369 D370 V371 L374	K100-Y104 WeakPolarHBondContact O-CB 3.5Å; K100-Y104 PolarHBondContact O-N 3.29Å; T101-Y104 PolarHBondContact O-N 3.43Å; Q102-Y104 VanDerWaalsContact C-N 3.32Å; Q102-Y104 PolarHBondContact O-N 2.88Å; Y104-L106 PolarHBondContact O-N 3.21Å; Y104-M108 HydrophobicContact CD2-CB 4.01Å; Y104-M108 HydrophobicContact CD2-CG 4.06Å; Y104-M108 HydrophobicContact CE2-CB 4.35Å; Y104-Y368 HydrophobicContact CD1-CE1 4.42Å; Y104-Y368 HydrophobicContact CD1-CE2 4.44Å; Y104-Y368 AromaticContact CD1-CZ 3.92Å; Y104-Y368 HydrophobicContact CE1-CD2 4.25Å; Y104-Y368 HydrophobicContact CE1-CE1 4.1Å; Y104-Y368 AromaticContact CE1-CE2 3.53Å; Y104-Y368 HydrophobicContact CE1-CE2 3.53Å; Y104-Y368 AromaticContact CE1-CZ 3.44Å; Y104-Y368 VanDerWaalsContact CE1-CZ 3.44Å; Y104-Y368 PolarHBondContact O-OH 3.19Å; Y104-P369 PolarHBondContact OH-O 2.83Å; Y104-D370 HydrophobicContact CE2-CB 4.33Å; Y104-V371 HydrophobicContact CD1-CB 4.23Å; Y104-V371 HydrophobicContact CD1-CG2 4.15Å; Y104-V371 HydrophobicContact CE1-CB 3.91Å; Y104-V371 HydrophobicContact CE1-CG2 4.3Å; Y104-L374 VanDerWaalsContact CB-CD1 3.42Å; Y104-L374 HydrophobicContact CD1-CD1 3.67Å; Y104-L374 HydrophobicContact CD2-CD1 3.98Å; Y104-L374 HydrophobicContact CE1-CD1 4.44Å; Y104-L374 HydrophobicContact CG-CD1 3.4Å
105	L	97.3	Very high	95.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-40	-178.5	-68.8	-179.5	0	0	0	112.5	T101 Q102 R117 H201 V204 L205 H208 Y368 V371	T101-L105 HydrophobicContact CG2-CD1 3.91Å; T101-L105 HydrophobicContact CG2-CG 4.24Å; T101-L105 WeakPolarHBondContact O-CB 3.42Å; T101-L105 VanDerWaalsContact O-CG 3.26Å; T101-L105 WeakPolarHBondContact O-CG 3.43Å; T101-L105 PolarHBondContact O-N 2.97Å; Q102-L105 PolarHBondContact O-N 2.92Å; L105-R117 WeakPolarHBondContact O-CD 3.38Å; L105-R117 PolarHBondContact O-NH1 3.46Å; L105-H201 PolarHBondContact O-NE2 3.44Å; L105-V204 HydrophobicContact CD1-CG1 4.1Å; L105-V204 HydrophobicContact CD2-CG1 3.59Å; L105-L205 HydrophobicContact CB-CD2 4.06Å; L105-L205 HydrophobicContact CD1-CD2 4.5Å; L105-H208 HydrophobicContact CD1-CB 4.49Å; L105-Y368 HydrophobicContact CD2-CE1 3.95Å; L105-V371 HydrophobicContact CD2-CG2 3.68Å
106	L	95.8	Very high	95.8	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-105.1	-20.6	-168.5	-62	178.7	0	0	0	115.2	Q102 Y104 L114 R117 L205 Y209	Q102-L106 WeakPolarHBondContact O-CB 3.37Å; Q102-L106 PolarHBondContact O-N 3.31Å; Y104-L106 PolarHBondContact O-N 3.21Å; L106-L114 WeakPolarHBondContact O-CD2 3.39Å; L106-R117 HydrophobicContact CD2-CB 4.19Å; L106-L205 HydrophobicContact CD2-CD2 4.04Å; L106-Y209 WeakPolarHBondContact CD1-OH 3.18Å; L106-Y209 HydrophobicContact CD2-CE2 4.46Å
107	Q	92.9	Very high	96.1	Very high	75 Å²	75	42.6 Å²	42.6	35%	0.35	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-35	-171	-59.5	-174.9	-26.7	0	0	113.2	A77 H103	A77-Q107 PolarHBondContact O-NE2 3Å; H103-Q107 PolarHBondContact CE1-OE1 2.75Å; H103-Q107 PolarHBondContact ND1-OE1 3.27Å; H103-Q107 WeakPolarHBondContact O-CA 3.34Å; H103-Q107 WeakPolarHBondContact O-CB 3.43Å; H103-Q107 PolarHBondContact O-N 3.22Å
108	M	94.4	Very high	96.2	Very high	80 Å²	80	42.9 Å²	42.9	39%	0.394	22%	0.221	S	C	.	.	S	Bend	trans	-74.5	163.8	-178.1	-66.4	-61.1	-65.6	0	0	113	H103 Y104 G110 R117	H103-M108 PolarHBondContact NE2-SD 3.12Å; H103-M108 VanDerWaalsContact NE2-SD 3.43Å; H103-M108 PolarHBondContact O-N 2.95Å; Y104-M108 HydrophobicContact CD2-CB 4.01Å; Y104-M108 HydrophobicContact CD2-CG 4.06Å; Y104-M108 HydrophobicContact CE2-CB 4.35Å; M108-G110 PolarHBondContact O-N 3.24Å; M108-R117 PolarHBondContact O-NH1 3.27Å; M108-R117 PolarHBondContact O-NH2 3.21Å
109	D	94.3	Very high	96.3	Very high	150 Å²	150	42.6 Å²	42.6	80%	0.802	22%	0.22	S	C	*	.			trans	-58.2	139.2	174.3	-73.7	-29.3	0	0	0	111.1
110	G	96.6	Very high	96.6	Very high	30 Å²	30	41.6 Å²	41.6	31%	0.309	21%	0.214	S	C	.	.			trans	-171.1	171	-177.9	0	0	0	0	0	111.9	M108 L112 R117	M108-G110 PolarHBondContact O-N 3.24Å; G110-L112 PolarHBondContact O-N 2.83Å; G110-R117 VanDerWaalsContact N-NH2 3.13Å
111	P	97.2	Very high	96.8	Very high	42 Å²	42	37.2 Å²	37.2	27%	0.273	20%	0.196	S	C	.	.	S	Bend	trans	-57.9	-24.1	-172.9	-29.9	34.7	0	0	0	115.9	A197 E198 H201 Y368	P111-A197 HydrophobicContact CB-CB 4.01Å; P111-A197 HydrophobicContact CG-CB 3.81Å; P111-E198 HydrophobicContact CB-CG 4.1Å; P111-H201 HydrophobicContact CB-CB 4.41Å; P111-H201 WeakPolarHBondContact CD-ND1 3.48Å; P111-H201 HydrophobicContact CG-CB 4.37Å; P111-Y368 HydrophobicContact CG-CD2 4.25Å
112	L	98.2	Very high	96.9	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	20%	0.195	C	C	.	.	S	Bend	trans	-109.2	144.2	-176.9	-69	171.1	0	0	0	111.2	G110 Y116 R117 I120 W194 E198 H201 A202 L205	G110-L112 PolarHBondContact O-N 2.83Å; L112-Y116 HydrophobicContact CD2-CD1 4.41Å; L112-R117 HydrophobicContact CB-CG 3.95Å; L112-R117 VanDerWaalsContact O-CZ 3.28Å; L112-R117 PolarHBondContact O-NE 3Å; L112-R117 PolarHBondContact O-NH2 3.39Å; L112-I120 HydrophobicContact CD1-CD1 3.67Å; L112-W194 HydrophobicContact CD1-CZ3 4.25Å; L112-W194 HydrophobicContact CD2-CH2 4.33Å; L112-W194 HydrophobicContact CD2-CZ3 3.77Å; L112-E198 HydrophobicContact CD2-CB 3.87Å; L112-E198 HydrophobicContact CD2-CG 3.86Å; L112-E198 HydrophobicContact CG-CB 4.37Å; L112-E198 HydrophobicContact CG-CG 4.44Å; L112-H201 HydrophobicContact CD1-CB 3.92Å; L112-H201 HydrophobicContact CG-CB 4.29Å; L112-A202 HydrophobicContact CD1-CB 4.21Å; L112-L205 HydrophobicContact CD1-CD1 4.3Å
113	P	97.8	Very high	97	Very high	59 Å²	59	35.7 Å²	35.7	38%	0.383	19%	0.188	S	C	.	.			trans	-70.6	151.4	172.1	31.3	-35.6	0	0	0	111.2	H115 Y116 R117	P113-H115 PolarHBondContact O-N 3.45Å; P113-Y116 HydrophobicContact CG-CD2 3.47Å; P113-Y116 VanDerWaalsContact CG-CD2 3.47Å; P113-Y116 HydrophobicContact CG-CE2 4.07Å; P113-Y116 HydrophobicContact CG-CG 3.75Å; P113-Y116 WeakPolarHBondContact O-CB 3.43Å; P113-Y116 PolarHBondContact O-N 2.97Å; P113-R117 WeakPolarHBondContact O-CG 3.46Å; P113-R117 PolarHBondContact O-N 3.24Å
114	L	98	Very high	97.3	Very high	67 Å²	67	31.8 Å²	31.8	35%	0.351	17%	0.17	S	C	.	.	H	α-helix	trans	-52.2	-46.7	-171.4	-56.7	175.7	0	0	0	113.8	L106 Y116 R117 H118 V144	L106-L114 WeakPolarHBondContact O-CD2 3.39Å; L114-Y116 VanDerWaalsContact C-N 3.28Å; L114-Y116 PolarHBondContact O-N 3.2Å; L114-R117 WeakPolarHBondContact O-CB 3.38Å; L114-R117 PolarHBondContact O-N 3.32Å; L114-H118 PolarHBondContact O-CD2 2.76Å; L114-H118 VanDerWaalsContact O-CD2 3.27Å; L114-H118 PolarHBondContact O-N 3.22Å; L114-H118 VanDerWaalsContact O-N 3.12Å; L114-V144 HydrophobicContact CB-CB 4.1Å; L114-V144 HydrophobicContact CB-CG1 4.23Å; L114-V144 HydrophobicContact CB-CG2 4.09Å; L114-V144 HydrophobicContact CD1-CG1 4.32Å
115	H	97.9	Very high	97.3	Very high	55 Å²	55	30 Å²	30	26%	0.255	16%	0.163	S	C	.	.	H	α-helix	trans	-64.7	-29.3	179.8	60.8	-84.4	0	0	0	112.8	P113 Y119 F141 V144 W150	P113-H115 PolarHBondContact O-N 3.45Å; H115-Y119 WeakPolarHBondContact O-CB 3.46Å; H115-Y119 PolarHBondContact O-N 3.06Å; H115-Y119 VanDerWaalsContact O-N 3.12Å; H115-F141 HydrophobicContact CB-CD2 4.03Å; H115-F141 HydrophobicContact CB-CE2 3.93Å; H115-F141 WeakPolarHBondContact O-CD2 3.24Å; H115-F141 WeakPolarHBondContact O-CE2 3.37Å; H115-V144 HydrophobicContact CB-CG2 3.91Å; H115-W150 AromaticContact CD2-CH2 3.54Å; H115-W150 AromaticContact CD2-CZ3 3.91Å; H115-W150 AromaticContact NE2-CH2 3.98Å
116	Y	98.5	Very high	97.3	Very high	40 Å²	40	30 Å²	30	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-67.9	-40	171	-83.8	-129.6	0	0	0	110.6	L112 P113 L114 Y119 I120 W150 L161	L112-Y116 HydrophobicContact CD2-CD1 4.41Å; P113-Y116 HydrophobicContact CG-CD2 3.47Å; P113-Y116 VanDerWaalsContact CG-CD2 3.47Å; P113-Y116 HydrophobicContact CG-CE2 4.07Å; P113-Y116 HydrophobicContact CG-CG 3.75Å; P113-Y116 WeakPolarHBondContact O-CB 3.43Å; P113-Y116 PolarHBondContact O-N 2.97Å; L114-Y116 VanDerWaalsContact C-N 3.28Å; L114-Y116 PolarHBondContact O-N 3.2Å; Y116-Y119 PolarHBondContact O-N 3.43Å; Y116-I120 WeakPolarHBondContact O-CB 3.39Å; Y116-I120 WeakPolarHBondContact O-CG1 3.4Å; Y116-I120 PolarHBondContact O-N 3.09Å; Y116-W150 AromaticContact CD2-CH2 3.98Å; Y116-W150 HydrophobicContact CD2-CH2 3.98Å; Y116-W150 HydrophobicContact CD2-CZ3 4.19Å; Y116-W150 AromaticContact CE2-CH2 3.55Å; Y116-W150 HydrophobicContact CE2-CH2 3.55Å; Y116-W150 HydrophobicContact CE2-CZ3 4.16Å; Y116-L161 HydrophobicContact CD1-CD1 3.8Å; Y116-L161 HydrophobicContact CD1-CD2 3.74Å; Y116-L161 HydrophobicContact CD1-CG 3.78Å; Y116-L161 HydrophobicContact CD2-CD1 4.37Å; Y116-L161 HydrophobicContact CE1-CD1 3.85Å; Y116-L161 HydrophobicContact CE1-CD2 4.22Å; Y116-L161 HydrophobicContact CE1-CG 3.78Å; Y116-L161 HydrophobicContact CE2-CD1 4.45Å; Y116-L161 HydrophobicContact CG-CD1 4.05Å; Y116-L161 HydrophobicContact CG-CD2 4.4Å; Y116-L161 HydrophobicContact CG-CG 4.49Å
117	R	98.5	Very high	97.3	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-47.5	-178	-49.6	-170.1	-160	173.9	5.6	111.7	L105 L106 M108 G110 L112 P113 L114 Y119 I120 G121 H201 L205	L105-R117 WeakPolarHBondContact O-CD 3.38Å; L105-R117 PolarHBondContact O-NH1 3.46Å; L106-R117 HydrophobicContact CD2-CB 4.19Å; M108-R117 PolarHBondContact O-NH1 3.27Å; M108-R117 PolarHBondContact O-NH2 3.21Å; G110-R117 VanDerWaalsContact N-NH2 3.13Å; L112-R117 HydrophobicContact CB-CG 3.95Å; L112-R117 VanDerWaalsContact O-CZ 3.28Å; L112-R117 PolarHBondContact O-NE 3Å; L112-R117 PolarHBondContact O-NH2 3.39Å; P113-R117 WeakPolarHBondContact O-CG 3.46Å; P113-R117 PolarHBondContact O-N 3.24Å; L114-R117 WeakPolarHBondContact O-CB 3.38Å; L114-R117 PolarHBondContact O-N 3.32Å; R117-Y119 PolarHBondContact O-N 3.07Å; R117-I120 PolarHBondContact O-N 3.24Å; R117-G121 PolarHBondContact O-N 3.43Å; R117-H201 PolarHBondContact NE-CE1 3.04Å; R117-L205 HydrophobicContact CB-CD1 3.82Å; R117-L205 HydrophobicContact CG-CD1 4.11Å
118	H	98.2	Very high	97.4	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-38.7	175.4	-66.2	-76.1	0	0	0	111.9	L114 I120 G121 I122 H137 D140 F141	L114-H118 PolarHBondContact O-CD2 2.76Å; L114-H118 VanDerWaalsContact O-CD2 3.27Å; L114-H118 PolarHBondContact O-N 3.22Å; L114-H118 VanDerWaalsContact O-N 3.12Å; H118-I120 PolarHBondContact O-N 2.97Å; H118-G121 WeakPolarHBondContact O-CA 3.46Å; H118-G121 PolarHBondContact O-N 3.4Å; H118-G121 VanDerWaalsContact O-N 3.16Å; H118-I122 WeakPolarHBondContact O-CG1 3.48Å; H118-I122 PolarHBondContact O-N 3.39Å; H118-H137 AromaticContact CG-ND1 3.92Å; H118-H137 AromaticContact ND1-CE1 3.92Å; H118-H137 AromaticContact ND1-ND1 3.28Å; H118-H137 PolarHBondContact ND1-ND1 3.31Å; H118-D140 VanDerWaalsContact CE1-CB 3.42Å; H118-D140 WeakPolarHBondContact CE1-CB 3.46Å; H118-D140 WeakPolarHBondContact ND1-CB 3.43Å; H118-F141 HydrophobicContact CB-CB 3.88Å
119	Y	98.7	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.1	-38.8	176.7	-164.5	-95.3	0	0	0	112.8	H115 Y116 R117 G121 I122 M123 F141 W150 L151 L154 A157 L161	H115-Y119 WeakPolarHBondContact O-CB 3.46Å; H115-Y119 PolarHBondContact O-N 3.06Å; H115-Y119 VanDerWaalsContact O-N 3.12Å; Y116-Y119 PolarHBondContact O-N 3.43Å; R117-Y119 PolarHBondContact O-N 3.07Å; Y119-G121 VanDerWaalsContact C-N 3.3Å; Y119-G121 PolarHBondContact O-N 2.89Å; Y119-I122 HydrophobicContact CD2-CD1 4.32Å; Y119-I122 WeakPolarHBondContact O-CB 3.42Å; Y119-I122 PolarHBondContact O-N 2.94Å; Y119-I122 VanDerWaalsContact O-N 3.16Å; Y119-M123 HydrophobicContact CD1-CG 3.97Å; Y119-M123 HydrophobicContact CD1-SD 3.73Å; Y119-M123 HydrophobicContact CE1-CG 3.79Å; Y119-M123 HydrophobicContact CE1-SD 3.68Å; Y119-M123 WeakPolarHBondContact O-CG 3.35Å; Y119-M123 PolarHBondContact O-N 3.38Å; Y119-F141 HydrophobicContact CD2-CD2 4.48Å; Y119-F141 HydrophobicContact CD2-CE2 4.11Å; Y119-F141 HydrophobicContact CD2-CZ 4.31Å; Y119-F141 HydrophobicContact CG-CE2 4.47Å; Y119-W150 HydrophobicContact CD1-CE3 4.43Å; Y119-W150 HydrophobicContact CD2-CB 4.1Å; Y119-W150 AromaticContact CD2-CE3 3.9Å; Y119-W150 HydrophobicContact CD2-CE3 3.9Å; Y119-W150 HydrophobicContact CE2-CB 3.55Å; Y119-W150 HydrophobicContact CE2-CE3 4.33Å; Y119-W150 WeakPolarHBondContact CE2-O 3.25Å; Y119-W150 AromaticContact CG-CE3 3.96Å; Y119-W150 HydrophobicContact CG-CE3 3.96Å; Y119-W150 HydrophobicContact CG-CZ3 4.49Å; Y119-W150 PolarHBondContact OH-O 3.47Å; Y119-L151 HydrophobicContact CD2-CD2 4.46Å; Y119-L151 HydrophobicContact CE2-CD2 4.34Å; Y119-L154 HydrophobicContact CE1-CD1 4.42Å; Y119-A157 HydrophobicContact CE1-CB 3.65Å; Y119-A157 WeakPolarHBondContact OH-CB 3.29Å; Y119-L161 HydrophobicContact CD1-CB 4.49Å; Y119-L161 HydrophobicContact CD1-CD1 3.79Å; Y119-L161 HydrophobicContact CE1-CD1 4.44Å; Y119-L161 HydrophobicContact CG-CD1 4.36Å
120	I	98.7	Very high	97.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.6	-39.7	172.3	-68.2	164.9	0	0	0	110.4	L112 Y116 R117 H118 I122 M123 A124 L161 L164 W194 A202 L205 L206	L112-I120 HydrophobicContact CD1-CD1 3.67Å; Y116-I120 WeakPolarHBondContact O-CB 3.39Å; Y116-I120 WeakPolarHBondContact O-CG1 3.4Å; Y116-I120 PolarHBondContact O-N 3.09Å; R117-I120 PolarHBondContact O-N 3.24Å; H118-I120 PolarHBondContact O-N 2.97Å; I120-I122 VanDerWaalsContact C-N 3.33Å; I120-I122 PolarHBondContact O-N 3.42Å; I120-M123 PolarHBondContact O-N 2.93Å; I120-A124 WeakPolarHBondContact O-CB 3.34Å; I120-A124 PolarHBondContact O-N 2.79Å; I120-L161 HydrophobicContact CD1-CD2 4.07Å; I120-L161 HydrophobicContact CG1-CD2 3.7Å; I120-L164 HydrophobicContact CD1-CD2 4.25Å; I120-L164 HydrophobicContact CG1-CD2 4Å; I120-L164 HydrophobicContact CG2-CD2 4.38Å; I120-W194 HydrophobicContact CD1-CH2 4.14Å; I120-A202 HydrophobicContact CD1-CB 3.97Å; I120-L205 HydrophobicContact CB-CD1 4.37Å; I120-L205 HydrophobicContact CD1-CD1 4.27Å; I120-L205 HydrophobicContact CG2-CB 3.71Å; I120-L205 HydrophobicContact CG2-CD1 4.3Å; I120-L206 HydrophobicContact CG2-CD2 3.67Å; I120-L206 HydrophobicContact CG2-CG 3.9Å
121	G	98.5	Very high	97.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.8	-42.5	171.4	0	0	0	0	0	113	R117 H118 Y119 A124 A125	R117-G121 PolarHBondContact O-N 3.43Å; H118-G121 WeakPolarHBondContact O-CA 3.46Å; H118-G121 PolarHBondContact O-N 3.4Å; H118-G121 VanDerWaalsContact O-N 3.16Å; Y119-G121 VanDerWaalsContact C-N 3.3Å; Y119-G121 PolarHBondContact O-N 2.89Å; G121-A124 PolarHBondContact O-N 3.27Å; G121-A125 VanDerWaalsContact O-CB 3.31Å; G121-A125 WeakPolarHBondContact O-CB 3.23Å; G121-A125 PolarHBondContact O-N 2.78Å
122	I	98.2	Very high	96.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.1	-50.9	173	-64.7	169.2	0	0	0	110.5	H118 Y119 I120 A124 A125 A126 V134 H137 V138 F141 L151 H328	H118-I122 WeakPolarHBondContact O-CG1 3.48Å; H118-I122 PolarHBondContact O-N 3.39Å; Y119-I122 HydrophobicContact CD2-CD1 4.32Å; Y119-I122 WeakPolarHBondContact O-CB 3.42Å; Y119-I122 PolarHBondContact O-N 2.94Å; Y119-I122 VanDerWaalsContact O-N 3.16Å; I120-I122 VanDerWaalsContact C-N 3.33Å; I120-I122 PolarHBondContact O-N 3.42Å; I122-A124 VanDerWaalsContact C-N 3.3Å; I122-A124 PolarHBondContact O-N 3.1Å; I122-A125 PolarHBondContact O-N 3.32Å; I122-A126 WeakPolarHBondContact O-CB 3.35Å; I122-A126 PolarHBondContact O-N 2.9Å; I122-V134 HydrophobicContact CG2-CG1 4.1Å; I122-H137 HydrophobicContact CD1-CB 4.23Å; I122-H137 HydrophobicContact CG1-CB 3.47Å; I122-H137 VanDerWaalsContact CG1-CB 3.47Å; I122-V138 HydrophobicContact CD1-CG2 3.81Å; I122-V138 HydrophobicContact CG1-CG2 4.39Å; I122-F141 HydrophobicContact CD1-CB 4.43Å; I122-L151 HydrophobicContact CD1-CD2 3.69Å; I122-H328 HydrophobicContact CG2-CB 3.86Å
123	M	98.3	Very high	96.8	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-58.3	-42.5	-179.4	-69.9	175	65.3	0	0	111.9	Y119 I120 R127 L154 L161 L164 N168	Y119-M123 HydrophobicContact CD1-CG 3.97Å; Y119-M123 HydrophobicContact CD1-SD 3.73Å; Y119-M123 HydrophobicContact CE1-CG 3.79Å; Y119-M123 HydrophobicContact CE1-SD 3.68Å; Y119-M123 WeakPolarHBondContact O-CG 3.35Å; Y119-M123 PolarHBondContact O-N 3.38Å; I120-M123 PolarHBondContact O-N 2.93Å; M123-R127 PolarHBondContact O-N 3.41Å; M123-L154 HydrophobicContact CE-CD1 4.04Å; M123-L154 HydrophobicContact SD-CD1 4.33Å; M123-L161 WeakPolarHBondContact CE-O 3.47Å; M123-L164 HydrophobicContact CE-CB 4.35Å; M123-N168 PolarHBondContact O-ND2 3Å; M123-N168 VanDerWaalsContact O-ND2 3.1Å
124	A	98.5	Very high	96.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.8	-53.1	179.3	0	0	0	0	0	111.9	I120 G121 I122 A126 R127 L206 H210	I120-A124 WeakPolarHBondContact O-CB 3.34Å; I120-A124 PolarHBondContact O-N 2.79Å; G121-A124 PolarHBondContact O-N 3.27Å; I122-A124 VanDerWaalsContact C-N 3.3Å; I122-A124 PolarHBondContact O-N 3.1Å; A124-A126 PolarHBondContact O-N 3.25Å; A124-R127 WeakPolarHBondContact O-CB 3.38Å; A124-R127 PolarHBondContact O-N 2.95Å; A124-R127 VanDerWaalsContact O-N 3.12Å; A124-L206 HydrophobicContact CB-CD2 3.85Å; A124-H210 PolarHBondContact O-CD2 3.36Å
125	A	97.7	Very high	96.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61	-35.2	-179.9	0	0	0	0	0	112.5	G121 I122 R127 H128 Q129 C130 L133 V134	G121-A125 VanDerWaalsContact O-CB 3.31Å; G121-A125 WeakPolarHBondContact O-CB 3.23Å; G121-A125 PolarHBondContact O-N 2.78Å; I122-A125 PolarHBondContact O-N 3.32Å; A125-R127 VanDerWaalsContact C-N 3.3Å; A125-R127 PolarHBondContact O-N 3.09Å; A125-H128 PolarHBondContact O-N 3.49Å; A125-Q129 PolarHBondContact O-N 3.01Å; A125-C130 HydrophobicContact CB-CB 4.33Å; A125-C130 WeakPolarHBondContact O-CB 3.37Å; A125-C130 PolarHBondContact O-N 3.44Å; A125-L133 HydrophobicContact CB-CB 3.56Å; A125-L133 HydrophobicContact CB-CD1 4.27Å; A125-V134 HydrophobicContact CB-CG2 3.84Å
126	A	96.3	Very high	96.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.4	-29.5	178.7	0	0	0	0	0	112.7	I122 A124 H128 Q129 V134 V325 H328 F329	I122-A126 WeakPolarHBondContact O-CB 3.35Å; I122-A126 PolarHBondContact O-N 2.9Å; A124-A126 PolarHBondContact O-N 3.25Å; A126-H128 PolarHBondContact O-N 3.22Å; A126-H128 VanDerWaalsContact O-N 3.17Å; A126-Q129 WeakPolarHBondContact O-CA 3.49Å; A126-Q129 PolarHBondContact O-N 3.32Å; A126-V134 HydrophobicContact CB-CG2 4.03Å; A126-V325 HydrophobicContact CB-CB 4.38Å; A126-H328 HydrophobicContact CB-CB 4Å; A126-F329 VanDerWaalsContact C-CE1 3.48Å; A126-F329 HydrophobicContact CB-CD1 3.52Å; A126-F329 HydrophobicContact CB-CE1 3.83Å; A126-F329 WeakPolarHBondContact O-CE1 3.34Å; A126-F329 WeakPolarHBondContact O-CZ 3.46Å
127	R	95.7	Very high	95.9	Very high	10 Å²	10	9.1 Å²	9.1	4%	0.038	5%	0.048	C	C	.	.	H	α-helix	trans	-57.6	-29.7	174.4	-68.5	-51.5	-50.6	-177.8	8.4	113.3	M123 A124 A125 N168 K169 A172 H173 E330 Y334	M123-R127 PolarHBondContact O-N 3.41Å; A124-R127 WeakPolarHBondContact O-CB 3.38Å; A124-R127 PolarHBondContact O-N 2.95Å; A124-R127 VanDerWaalsContact O-N 3.12Å; A125-R127 VanDerWaalsContact C-N 3.3Å; A125-R127 PolarHBondContact O-N 3.09Å; R127-N168 WeakPolarHBondContact CG-OD1 3.43Å; R127-K169 VanDerWaalsContact CZ-CB 3.47Å; R127-A172 HydrophobicContact CB-CB 3.72Å; R127-A172 HydrophobicContact CG-CB 3.94Å; R127-H173 PolarHBondContact NE-NE2 3.47Å; R127-H173 PolarHBondContact NH2-CD2 3.21Å; R127-H173 VanDerWaalsContact NH2-CD2 3.34Å; R127-H173 PolarHBondContact NH2-NE2 3.46Å; R127-H173 VanDerWaalsContact NH2-NE2 3.11Å; R127-H173 PolarHBondContact O-CE1 3.31Å; R127-H173 VanDerWaalsContact O-CE1 3.28Å; R127-H173 PolarHBondContact O-NE2 3.47Å; R127-E330 PolarHBondContact NH1-O 3.27Å; R127-Y334 PolarHBondContact NH2-O 3.5Å
128	H	94.6	Very high	95.7	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	15.2	174.1	-71.2	-61.8	0	0	0	113.4	A125 A126 C130 A172 H173 A213 F217 P444 E445 R475	A125-H128 PolarHBondContact O-N 3.49Å; A126-H128 PolarHBondContact O-N 3.22Å; A126-H128 VanDerWaalsContact O-N 3.17Å; H128-C130 PolarHBondContact O-N 3.26Å; H128-A172 PolarHBondContact CE1-O 2.96Å; H128-A172 PolarHBondContact NE2-O 3.46Å; H128-H173 AromaticContact CE1-CE1 3.81Å; H128-H173 AromaticContact CE1-ND1 3.88Å; H128-A213 HydrophobicContact CB-CB 3.79Å; H128-F217 WeakPolarHBondContact O-CE2 3.38Å; H128-P444 HydrophobicContact CB-CG 3.91Å; H128-P444 WeakPolarHBondContact ND1-CD 3.34Å; H128-P444 WeakPolarHBondContact ND1-CG 3Å; H128-E445 IonicContact ND1-OE2 2.81Å; H128-R475 PolarHBondContact CE1-NH1 3.37Å; H128-R475 PolarHBondContact CE1-NH2 2.77Å; H128-R475 VanDerWaalsContact CE1-NH2 3.33Å; H128-R475 PolarHBondContact NE2-NH1 2.96Å; H128-R475 PolarHBondContact NE2-NH2 2.88Å
129	Q	93	Very high	95.3	Very high	37 Å²	37	12.9 Å²	12.9	17%	0.173	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	32.2	-178.6	-52.1	-173.7	48	0	0	113.3	A125 A126 S131 R323 V325	A125-Q129 PolarHBondContact O-N 3.01Å; A126-Q129 WeakPolarHBondContact O-CA 3.49Å; A126-Q129 PolarHBondContact O-N 3.32Å; Q129-S131 PolarHBondContact O-N 2.81Å; Q129-R323 WeakPolarHBondContact O-CD 3.38Å; Q129-R323 PolarHBondContact O-NH1 3.5Å; Q129-V325 HydrophobicContact CB-CG2 4.3Å
130	C	94.8	Very high	95.1	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.014	8%	0.08	C	C	.	.			trans	-82.4	81.1	-176.7	-167.8	0	0	0	0	110.2	A125 H128 Y132 L133 V134 A213 F217	A125-C130 HydrophobicContact CB-CB 4.33Å; A125-C130 WeakPolarHBondContact O-CB 3.37Å; A125-C130 PolarHBondContact O-N 3.44Å; H128-C130 PolarHBondContact O-N 3.26Å; C130-Y132 PolarHBondContact O-N 2.87Å; C130-L133 HydrophobicContact CB-CB 4.46Å; C130-L133 PolarHBondContact O-N 3.37Å; C130-V134 WeakPolarHBondContact O-CG2 3.43Å; C130-V134 PolarHBondContact O-N 3.27Å; C130-A213 HydrophobicContact CB-CB 3.75Å; C130-F217 HydrophobicContact CB-CE2 3.84Å; C130-F217 HydrophobicContact CB-CZ 4.43Å
131	S	92	Very high	95	Very high	44 Å²	44	14.8 Å²	14.8	31%	0.308	8%	0.08	S	C	.	.	H	α-helix	trans	-59.1	-30.3	-179.4	57.7	0	0	0	0	113.5	Q129 N135	Q129-S131 PolarHBondContact O-N 2.81Å; S131-N135 VanDerWaalsContact O-CB 3.3Å; S131-N135 WeakPolarHBondContact O-CB 3.12Å; S131-N135 PolarHBondContact O-N 3.31Å; S131-N135 PolarHBondContact O-ND2 3.5Å
132	Y	93.3	Very high	94.9	Very high	17 Å²	17	18.2 Å²	18.2	7%	0.067	10%	0.098	C	C	.	.	H	α-helix	trans	-56.3	-60.2	174.2	177.1	-93.9	0	0	0	111.3	N83 I84 C130 V134 N135 L136 T216 I221 S222 E224	N83-Y132 HydrophobicContact CB-CE2 4.4Å; N83-Y132 PolarHBondContact N-OH 3.42Å; N83-Y132 VanDerWaalsContact N-OH 3.17Å; I84-Y132 HydrophobicContact CD1-CD1 4.11Å; I84-Y132 HydrophobicContact CD1-CE1 3.48Å; I84-Y132 VanDerWaalsContact CD1-CE1 3.48Å; I84-Y132 HydrophobicContact CG1-CD1 4.48Å; I84-Y132 HydrophobicContact CG1-CE1 3.61Å; I84-Y132 PolarHBondContact N-OH 3.3Å; C130-Y132 PolarHBondContact O-N 2.87Å; Y132-V134 PolarHBondContact O-N 3.15Å; Y132-N135 PolarHBondContact O-N 3.38Å; Y132-L136 HydrophobicContact CD1-CD1 4.16Å; Y132-L136 HydrophobicContact CD1-CG 4.49Å; Y132-L136 HydrophobicContact CE1-CD1 3.47Å; Y132-L136 VanDerWaalsContact CE1-CD1 3.47Å; Y132-L136 HydrophobicContact CE1-CG 4.13Å; Y132-L136 WeakPolarHBondContact O-CG 3.21Å; Y132-L136 PolarHBondContact O-N 3.44Å; Y132-L136 VanDerWaalsContact O-N 3.07Å; Y132-T216 HydrophobicContact CD1-CG2 3.7Å; Y132-T216 HydrophobicContact CG-CG2 3.93Å; Y132-I221 HydrophobicContact CD1-CG2 4.34Å; Y132-I221 HydrophobicContact CD2-CG2 4.06Å; Y132-I221 HydrophobicContact CE1-CG2 4.02Å; Y132-I221 HydrophobicContact CE2-CG2 3.71Å; Y132-I221 HydrophobicContact CG-CG2 4.36Å; Y132-S222 WeakPolarHBondContact CD2-O 3.38Å; Y132-S222 VanDerWaalsContact CE2-O 3.24Å; Y132-S222 WeakPolarHBondContact CE2-O 3.36Å; Y132-E224 HydrophobicContact CE2-CG 3.93Å; Y132-E224 VanDerWaalsContact CE2-OE1 3.3Å; Y132-E224 WeakPolarHBondContact CE2-OE1 3.35Å; Y132-E224 PolarHBondContact OH-OE1 3.41Å
133	L	95.3	Very high	94.7	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-65.4	-38.9	-179.2	-70.9	178.6	0	0	0	112.4	I84 A125 C130 N135 L136 H137 Y209 L212 A213	I84-L133 HydrophobicContact CD1-CD2 3.62Å; A125-L133 HydrophobicContact CB-CB 3.56Å; A125-L133 HydrophobicContact CB-CD1 4.27Å; C130-L133 HydrophobicContact CB-CB 4.46Å; C130-L133 PolarHBondContact O-N 3.37Å; L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 2.96Å; L133-L136 HydrophobicContact CD2-CD1 4.25Å; L133-L136 PolarHBondContact O-N 3.05Å; L133-H137 PolarHBondContact O-CD2 3.22Å; L133-H137 PolarHBondContact O-N 2.82Å; L133-Y209 HydrophobicContact CD1-CD1 4.45Å; L133-L212 HydrophobicContact CD1-CB 3.99Å; L133-L212 HydrophobicContact CD1-CD2 4.33Å; L133-L212 HydrophobicContact CD1-CG 4.04Å; L133-L212 HydrophobicContact CD2-CD2 3.74Å; L133-L212 HydrophobicContact CD2-CG 4.06Å; L133-A213 HydrophobicContact CD1-CB 4.07Å
134	V	95	Very high	94.5	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-56.9	-47	174.8	169.3	0	0	0	0	110.5	I122 A125 A126 C130 Y132 L136 H137 V138 V325	I122-V134 HydrophobicContact CG2-CG1 4.1Å; A125-V134 HydrophobicContact CB-CG2 3.84Å; A126-V134 HydrophobicContact CB-CG2 4.03Å; C130-V134 WeakPolarHBondContact O-CG2 3.43Å; C130-V134 PolarHBondContact O-N 3.27Å; Y132-V134 PolarHBondContact O-N 3.15Å; V134-L136 PolarHBondContact O-N 3.19Å; V134-H137 PolarHBondContact O-N 3.49Å; V134-V138 HydrophobicContact CG1-CG2 4.18Å; V134-V138 WeakPolarHBondContact O-CB 3.24Å; V134-V138 VanDerWaalsContact O-CG2 3.25Å; V134-V138 WeakPolarHBondContact O-CG2 3.27Å; V134-V138 PolarHBondContact O-N 2.82Å; V134-V325 HydrophobicContact CB-CG1 3.9Å; V134-V325 HydrophobicContact CG1-CB 4.41Å; V134-V325 HydrophobicContact CG1-CG1 3.75Å; V134-V325 HydrophobicContact CG2-CB 4.2Å; V134-V325 HydrophobicContact CG2-CG1 3.98Å
135	N	91.9	Very high	94.5	Very high	42 Å²	42	31.4 Å²	31.4	23%	0.225	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-38.2	179.7	-71.7	-17	0	0	0	112.6	S131 Y132 L133 V138 N139	S131-N135 VanDerWaalsContact O-CB 3.3Å; S131-N135 WeakPolarHBondContact O-CB 3.12Å; S131-N135 PolarHBondContact O-N 3.31Å; S131-N135 PolarHBondContact O-ND2 3.5Å; Y132-N135 PolarHBondContact O-N 3.38Å; L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 2.96Å; N135-V138 PolarHBondContact O-N 3.14Å; N135-N139 PolarHBondContact O-N 3.5Å; N135-N139 PolarHBondContact O-ND2 3.35Å
136	L	91.7	Very high	94.5	Very high	11 Å²	11	31.7 Å²	31.7	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-49.8	173.7	-63.4	-172.1	0	0	0	110.7	D82 Y132 L133 V134 N139 D140 E224	D82-L136 HydrophobicContact CB-CD1 4.49Å; Y132-L136 HydrophobicContact CD1-CD1 4.16Å; Y132-L136 HydrophobicContact CD1-CG 4.49Å; Y132-L136 HydrophobicContact CE1-CD1 3.47Å; Y132-L136 VanDerWaalsContact CE1-CD1 3.47Å; Y132-L136 HydrophobicContact CE1-CG 4.13Å; Y132-L136 WeakPolarHBondContact O-CG 3.21Å; Y132-L136 PolarHBondContact O-N 3.44Å; Y132-L136 VanDerWaalsContact O-N 3.07Å; L133-L136 HydrophobicContact CD2-CD1 4.25Å; L133-L136 PolarHBondContact O-N 3.05Å; V134-L136 PolarHBondContact O-N 3.19Å; L136-N139 PolarHBondContact O-N 3.03Å; L136-D140 PolarHBondContact O-N 3.5Å; L136-E224 HydrophobicContact CD2-CG 3.72Å
137	H	94.9	Very high	94.5	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-72.7	-29	-178.6	-79.7	-77	0	0	0	114.2	H118 I122 L133 V134 N139 D140 F141 Y209	H118-H137 AromaticContact CG-ND1 3.92Å; H118-H137 AromaticContact ND1-CE1 3.92Å; H118-H137 AromaticContact ND1-ND1 3.28Å; H118-H137 PolarHBondContact ND1-ND1 3.31Å; I122-H137 HydrophobicContact CD1-CB 4.23Å; I122-H137 HydrophobicContact CG1-CB 3.47Å; I122-H137 VanDerWaalsContact CG1-CB 3.47Å; L133-H137 PolarHBondContact O-CD2 3.22Å; L133-H137 PolarHBondContact O-N 2.82Å; V134-H137 PolarHBondContact O-N 3.49Å; H137-N139 VanDerWaalsContact C-N 3.33Å; H137-D140 PolarHBondContact O-N 3.14Å; H137-F141 WeakPolarHBondContact O-CA 3.46Å; H137-F141 WeakPolarHBondContact O-CB 3.38Å; H137-F141 PolarHBondContact O-N 2.86Å; H137-Y209 AromaticContact CE1-CE1 3.77Å; H137-Y209 AromaticContact CE1-CE2 3.67Å; H137-Y209 AromaticContact CE1-CZ 3.28Å; H137-Y209 PolarHBondContact CE1-OH 3.21Å; H137-Y209 VanDerWaalsContact CE1-OH 3.23Å; H137-Y209 AromaticContact NE2-CD1 3.58Å; H137-Y209 AromaticContact NE2-CE1 3.02Å; H137-Y209 WeakPolarHBondContact NE2-CE1 3.37Å; H137-Y209 AromaticContact NE2-CE2 3.61Å; H137-Y209 AromaticContact NE2-CZ 3.03Å; H137-Y209 PolarHBondContact NE2-OH 3.26Å
138	V	94	Very high	94.6	Very high	27 Å²	27	38 Å²	38	16%	0.164	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-46.9	172.9	161.6	0	0	0	0	110.2	I122 V134 N135 L142 L151	I122-V138 HydrophobicContact CD1-CG2 3.81Å; I122-V138 HydrophobicContact CG1-CG2 4.39Å; V134-V138 HydrophobicContact CG1-CG2 4.18Å; V134-V138 WeakPolarHBondContact O-CB 3.24Å; V134-V138 VanDerWaalsContact O-CG2 3.25Å; V134-V138 WeakPolarHBondContact O-CG2 3.27Å; V134-V138 PolarHBondContact O-N 2.82Å; N135-V138 PolarHBondContact O-N 3.14Å; V138-L142 HydrophobicContact CG1-CD1 4.26Å; V138-L142 VanDerWaalsContact O-CG 3.3Å; V138-L142 WeakPolarHBondContact O-CG 3.47Å; V138-L142 PolarHBondContact O-N 3.39Å; V138-L142 VanDerWaalsContact O-N 3.12Å; V138-L151 HydrophobicContact CG1-CD1 3.85Å; V138-L151 HydrophobicContact CG2-CD1 4.42Å; V138-L151 HydrophobicContact CG2-CD2 4.09Å
139	N	91.1	Very high	94.7	Very high	68 Å²	68	44.6 Å²	44.6	36%	0.364	25%	0.25	S	S	.	.	H	α-helix	trans	-62.4	-47.2	178.2	-69.1	-24.2	0	0	0	111.2	N135 L136 H137 L142 H143	N135-N139 PolarHBondContact O-N 3.5Å; N135-N139 PolarHBondContact O-ND2 3.35Å; L136-N139 PolarHBondContact O-N 3.03Å; H137-N139 VanDerWaalsContact C-N 3.33Å; N139-L142 PolarHBondContact O-N 3.06Å; N139-H143 WeakPolarHBondContact O-CB 3.47Å; N139-H143 PolarHBondContact O-N 3.36Å
140	D	93.3	Very high	94.9	Very high	40 Å²	40	44 Å²	44	21%	0.214	25%	0.247	C	C	.	.	H	α-helix	trans	-69.6	-37.7	-177.7	-61.2	-22.5	0	0	0	111.9	R80 H118 L136 H137 L142 H143 V144	R80-D140 IonicContact NH2-OD1 2.93Å; R80-D140 PolarHBondContact NH2-OD1 3.02Å; R80-D140 IonicContact NH2-OD2 2.66Å; R80-D140 PolarHBondContact NH2-OD2 3.31Å; H118-D140 VanDerWaalsContact CE1-CB 3.42Å; H118-D140 WeakPolarHBondContact CE1-CB 3.46Å; H118-D140 WeakPolarHBondContact ND1-CB 3.43Å; L136-D140 PolarHBondContact O-N 3.5Å; H137-D140 PolarHBondContact O-N 3.14Å; D140-L142 PolarHBondContact O-N 3.03Å; D140-H143 WeakPolarHBondContact O-CB 3.47Å; D140-H143 PolarHBondContact O-N 3.1Å; D140-V144 WeakPolarHBondContact O-CG2 3.2Å; D140-V144 PolarHBondContact O-N 2.91Å
141	F	96.6	Very high	95	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-47.2	173.6	171.5	-99.9	0	0	0	111.8	H115 H118 Y119 I122 H137 H143 V144 G146 D147 W150 L151	H115-F141 HydrophobicContact CB-CD2 4.03Å; H115-F141 HydrophobicContact CB-CE2 3.93Å; H115-F141 WeakPolarHBondContact O-CD2 3.24Å; H115-F141 WeakPolarHBondContact O-CE2 3.37Å; H118-F141 HydrophobicContact CB-CB 3.88Å; Y119-F141 HydrophobicContact CD2-CD2 4.48Å; Y119-F141 HydrophobicContact CD2-CE2 4.11Å; Y119-F141 HydrophobicContact CD2-CZ 4.31Å; Y119-F141 HydrophobicContact CG-CE2 4.47Å; I122-F141 HydrophobicContact CD1-CB 4.43Å; H137-F141 WeakPolarHBondContact O-CA 3.46Å; H137-F141 WeakPolarHBondContact O-CB 3.38Å; H137-F141 PolarHBondContact O-N 2.86Å; F141-H143 VanDerWaalsContact C-N 3.35Å; F141-V144 WeakPolarHBondContact O-CG2 3.3Å; F141-V144 PolarHBondContact O-N 3.11Å; F141-G146 VanDerWaalsContact CE1-C 3.46Å; F141-G146 WeakPolarHBondContact O-CA 3.5Å; F141-G146 PolarHBondContact O-N 3.45Å; F141-D147 VanDerWaalsContact CE1-O 3.31Å; F141-D147 WeakPolarHBondContact CE1-O 3.35Å; F141-W150 HydrophobicContact CE2-CD2 4.4Å; F141-W150 AromaticContact CE2-CE3 3.65Å; F141-W150 HydrophobicContact CE2-CE3 3.65Å; F141-W150 AromaticContact CE2-CZ3 3.94Å; F141-W150 HydrophobicContact CE2-CZ3 3.94Å; F141-W150 HydrophobicContact CZ-CB 4.18Å; F141-W150 AromaticContact CZ-CD2 3.9Å; F141-W150 HydrophobicContact CZ-CD2 3.9Å; F141-W150 AromaticContact CZ-CE3 3.6Å; F141-W150 HydrophobicContact CZ-CE3 3.6Å; F141-W150 HydrophobicContact CZ-CG 4.21Å; F141-W150 HydrophobicContact CZ-CZ3 4.25Å; F141-L151 HydrophobicContact CD1-CD1 4.15Å; F141-L151 HydrophobicContact CD1-CD2 3.95Å; F141-L151 HydrophobicContact CD1-CG 4.16Å; F141-L151 HydrophobicContact CE1-CD1 4.39Å; F141-L151 HydrophobicContact CE1-CD2 4.08Å; F141-L151 HydrophobicContact CE1-CG 4.06Å
142	L	96.3	Very high	95	Very high	73 Å²	73	47.7 Å²	47.7	38%	0.382	26%	0.263	S	S	.	.	H	α-helix	trans	-66.6	-39	176.8	-67.6	173.6	0	0	0	111.4	V138 N139 D140 V144 G145 P148 L151	V138-L142 HydrophobicContact CG1-CD1 4.26Å; V138-L142 VanDerWaalsContact O-CG 3.3Å; V138-L142 WeakPolarHBondContact O-CG 3.47Å; V138-L142 PolarHBondContact O-N 3.39Å; V138-L142 VanDerWaalsContact O-N 3.12Å; N139-L142 PolarHBondContact O-N 3.06Å; D140-L142 PolarHBondContact O-N 3.03Å; L142-V144 VanDerWaalsContact C-N 3.33Å; L142-V144 PolarHBondContact O-N 2.89Å; L142-G145 PolarHBondContact O-N 3.19Å; L142-G145 VanDerWaalsContact O-N 3.11Å; L142-P148 HydrophobicContact CD2-CB 4.05Å; L142-P148 HydrophobicContact CD2-CG 3.76Å; L142-L151 HydrophobicContact CD1-CD1 4.27Å; L142-L151 HydrophobicContact CD2-CD1 4.03Å; L142-L151 HydrophobicContact CG-CD1 4.14Å
143	H	93.6	Very high	94.9	Very high	164 Å²	164	47 Å²	47	76%	0.759	26%	0.26	S	S	*	.	H	α-helix	trans	-60.8	-40.8	178.3	-174.8	77.5	0	0	0	112.5	N139 D140 F141 G145	N139-H143 WeakPolarHBondContact O-CB 3.47Å; N139-H143 PolarHBondContact O-N 3.36Å; D140-H143 WeakPolarHBondContact O-CB 3.47Å; D140-H143 PolarHBondContact O-N 3.1Å; F141-H143 VanDerWaalsContact C-N 3.35Å; H143-G145 PolarHBondContact O-N 3.38Å
144	V	95.6	Very high	94.8	Very high	48 Å²	48	47.4 Å²	47.4	29%	0.291	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	12.8	177.3	-56.4	0	0	0	0	113.8	L114 H115 D140 F141 L142	L114-V144 HydrophobicContact CB-CB 4.1Å; L114-V144 HydrophobicContact CB-CG1 4.23Å; L114-V144 HydrophobicContact CB-CG2 4.09Å; L114-V144 HydrophobicContact CD1-CG1 4.32Å; H115-V144 HydrophobicContact CB-CG2 3.91Å; D140-V144 WeakPolarHBondContact O-CG2 3.2Å; D140-V144 PolarHBondContact O-N 2.91Å; F141-V144 WeakPolarHBondContact O-CG2 3.3Å; F141-V144 PolarHBondContact O-N 3.11Å; L142-V144 VanDerWaalsContact C-N 3.33Å; L142-V144 PolarHBondContact O-N 2.89Å
145	G	96.9	Very high	94.8	Very high	65 Å²	65	53.1 Å²	53.1	67%	0.67	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	22.1	174.5	0	0	0	0	0	115.2	L142 H143	L142-G145 PolarHBondContact O-N 3.19Å; L142-G145 VanDerWaalsContact O-N 3.11Å; H143-G145 PolarHBondContact O-N 3.38Å
146	G	97.8	Very high	95	Very high	6 Å²	6	54.5 Å²	54.5	6%	0.062	30%	0.296	C	S	.	.			trans	-62.2	143.8	172.5	0	0	0	0	0	112.6	F141 P148	F141-G146 VanDerWaalsContact CE1-C 3.46Å; F141-G146 WeakPolarHBondContact O-CA 3.5Å; F141-G146 PolarHBondContact O-N 3.45Å; G146-P148 VanDerWaalsContact O-CD 3.29Å; G146-P148 WeakPolarHBondContact O-CD 3.03Å
147	D	98.1	Very high	95.3	Very high	66 Å²	66	54.3 Å²	54.3	35%	0.353	30%	0.296	S	S	.	.			trans	-70	116.9	179.4	-177.9	-9	0	0	0	110.6	F141 K149 W150	F141-D147 VanDerWaalsContact CE1-O 3.31Å; F141-D147 WeakPolarHBondContact CE1-O 3.35Å; D147-K149 PolarHBondContact O-N 3.04Å; D147-K149 WeakPolarHBondContact OD1-CB 3.34Å; D147-K149 WeakPolarHBondContact OD1-CG 3.39Å; D147-K149 PolarHBondContact OD1-N 3.17Å; D147-W150 HydrophobicContact CB-CG 4.41Å; D147-W150 PolarHBondContact O-N 2.66Å; D147-W150 VanDerWaalsContact O-N 3.08Å
148	P	97.1	Very high	95.4	Very high	78 Å²	78	55.6 Å²	55.6	51%	0.506	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-55.9	-22.5	180	-23.3	32.3	0	0	0	114	L142 G146 W150 L151	L142-P148 HydrophobicContact CD2-CB 4.05Å; L142-P148 HydrophobicContact CD2-CG 3.76Å; G146-P148 VanDerWaalsContact O-CD 3.29Å; G146-P148 WeakPolarHBondContact O-CD 3.03Å; P148-W150 PolarHBondContact O-N 2.71Å; P148-L151 WeakPolarHBondContact O-CB 3.48Å; P148-L151 PolarHBondContact O-N 2.85Å
149	K	97.1	Very high	95.5	Very high	137 Å²	137	58.2 Å²	58.2	60%	0.596	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-60.2	-33.6	178.2	-68.8	176.5	-177.2	174.4	0	112.7	D147 L151 N152 N156	D147-K149 PolarHBondContact O-N 3.04Å; D147-K149 WeakPolarHBondContact OD1-CB 3.34Å; D147-K149 WeakPolarHBondContact OD1-CG 3.39Å; D147-K149 PolarHBondContact OD1-N 3.17Å; K149-L151 PolarHBondContact O-N 2.99Å; K149-L151 VanDerWaalsContact O-N 3.17Å; K149-N152 WeakPolarHBondContact O-CB 3.33Å; K149-N152 PolarHBondContact O-N 2.79Å; K149-N152 VanDerWaalsContact O-N 3.09Å; K149-N156 WeakPolarHBondContact O-CB 3.5Å
150	W	97.3	Very high	95.9	Very high	26 Å²	26	56.5 Å²	56.5	10%	0.098	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-64.7	-22.2	-178.3	-57.8	6.7	0	0	0	112.2	H115 Y116 Y119 F141 D147 P148 N152 A157 P158 L161	H115-W150 AromaticContact CD2-CH2 3.54Å; H115-W150 AromaticContact CD2-CZ3 3.91Å; H115-W150 AromaticContact NE2-CH2 3.98Å; Y116-W150 AromaticContact CD2-CH2 3.98Å; Y116-W150 HydrophobicContact CD2-CH2 3.98Å; Y116-W150 HydrophobicContact CD2-CZ3 4.19Å; Y116-W150 AromaticContact CE2-CH2 3.55Å; Y116-W150 HydrophobicContact CE2-CH2 3.55Å; Y116-W150 HydrophobicContact CE2-CZ3 4.16Å; Y119-W150 HydrophobicContact CD1-CE3 4.43Å; Y119-W150 HydrophobicContact CD2-CB 4.1Å; Y119-W150 AromaticContact CD2-CE3 3.9Å; Y119-W150 HydrophobicContact CD2-CE3 3.9Å; Y119-W150 HydrophobicContact CE2-CB 3.55Å; Y119-W150 HydrophobicContact CE2-CE3 4.33Å; Y119-W150 WeakPolarHBondContact CE2-O 3.25Å; Y119-W150 AromaticContact CG-CE3 3.96Å; Y119-W150 HydrophobicContact CG-CE3 3.96Å; Y119-W150 HydrophobicContact CG-CZ3 4.49Å; Y119-W150 PolarHBondContact OH-O 3.47Å; F141-W150 HydrophobicContact CE2-CD2 4.4Å; F141-W150 AromaticContact CE2-CE3 3.65Å; F141-W150 HydrophobicContact CE2-CE3 3.65Å; F141-W150 AromaticContact CE2-CZ3 3.94Å; F141-W150 HydrophobicContact CE2-CZ3 3.94Å; F141-W150 HydrophobicContact CZ-CB 4.18Å; F141-W150 AromaticContact CZ-CD2 3.9Å; F141-W150 HydrophobicContact CZ-CD2 3.9Å; F141-W150 AromaticContact CZ-CE3 3.6Å; F141-W150 HydrophobicContact CZ-CE3 3.6Å; F141-W150 HydrophobicContact CZ-CG 4.21Å; F141-W150 HydrophobicContact CZ-CZ3 4.25Å; D147-W150 HydrophobicContact CB-CG 4.41Å; D147-W150 PolarHBondContact O-N 2.66Å; D147-W150 VanDerWaalsContact O-N 3.08Å; P148-W150 PolarHBondContact O-N 2.71Å; W150-N152 VanDerWaalsContact C-N 3.27Å; W150-N152 PolarHBondContact O-N 2.85Å; W150-A157 HydrophobicContact CB-CB 4.35Å; W150-A157 HydrophobicContact CD2-CB 4.49Å; W150-A157 HydrophobicContact CG-CB 4.35Å; W150-P158 HydrophobicContact CD2-CG 4.38Å; W150-P158 HydrophobicContact CH2-CG 3.45Å; W150-P158 VanDerWaalsContact CH2-CG 3.45Å; W150-P158 HydrophobicContact CZ2-CG 3.22Å; W150-P158 HydrophobicContact CZ3-CG 4.12Å; W150-L161 HydrophobicContact CE3-CD1 4.08Å; W150-L161 HydrophobicContact CH2-CD1 4.21Å; W150-L161 HydrophobicContact CZ3-CD1 3.53Å
151	L	95.2	Very high	96.1	Very high	21 Å²	21	54.6 Å²	54.6	11%	0.11	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-79.6	-9	179.7	-55.4	-179.6	0	0	0	112.9	Y119 I122 V138 F141 L142 P148 K149 G153 R327 H328	Y119-L151 HydrophobicContact CD2-CD2 4.46Å; Y119-L151 HydrophobicContact CE2-CD2 4.34Å; I122-L151 HydrophobicContact CD1-CD2 3.69Å; V138-L151 HydrophobicContact CG1-CD1 3.85Å; V138-L151 HydrophobicContact CG2-CD1 4.42Å; V138-L151 HydrophobicContact CG2-CD2 4.09Å; F141-L151 HydrophobicContact CD1-CD1 4.15Å; F141-L151 HydrophobicContact CD1-CD2 3.95Å; F141-L151 HydrophobicContact CD1-CG 4.16Å; F141-L151 HydrophobicContact CE1-CD1 4.39Å; F141-L151 HydrophobicContact CE1-CD2 4.08Å; F141-L151 HydrophobicContact CE1-CG 4.06Å; L142-L151 HydrophobicContact CD1-CD1 4.27Å; L142-L151 HydrophobicContact CD2-CD1 4.03Å; L142-L151 HydrophobicContact CG-CD1 4.14Å; P148-L151 WeakPolarHBondContact O-CB 3.48Å; P148-L151 PolarHBondContact O-N 2.85Å; K149-L151 PolarHBondContact O-N 2.99Å; K149-L151 VanDerWaalsContact O-N 3.17Å; L151-G153 VanDerWaalsContact C-N 3.32Å; L151-R327 WeakPolarHBondContact O-CD 3.28Å; L151-H328 PolarHBondContact O-CE1 3Å
152	N	92.6	Very high	96.1	Very high	102 Å²	102	56.7 Å²	56.7	55%	0.545	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-84.6	-6.5	178.5	-65.5	-45.9	0	0	0	113.7	K149 W150	K149-N152 WeakPolarHBondContact O-CB 3.33Å; K149-N152 PolarHBondContact O-N 2.79Å; K149-N152 VanDerWaalsContact O-N 3.09Å; W150-N152 VanDerWaalsContact C-N 3.27Å; W150-N152 PolarHBondContact O-N 2.85Å
153	G	91.6	Very high	96.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	30%	0.3	C	S	.	.			trans	156.3	152.3	178.6	0	0	0	0	0	110.9	L151 E155 N156 R327	L151-G153 VanDerWaalsContact C-N 3.32Å; G153-E155 VanDerWaalsContact C-OE2 3.27Å; G153-E155 WeakPolarHBondContact CA-OE2 3.48Å; G153-E155 PolarHBondContact O-N 3.35Å; G153-N156 PolarHBondContact N-ND2 3.12Å; G153-N156 WeakPolarHBondContact O-CB 3.42Å; G153-N156 PolarHBondContact O-N 3.45Å; G153-R327 CarbonylContact C-O 3.58Å; G153-R327 WeakPolarHBondContact CA-O 3.36Å
154	L	93.4	Very high	96.3	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.058	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-55.1	-35.4	179.5	-179.5	62.6	0	0	0	112	Y119 M123 N156 A157 Q162 R327 E330	Y119-L154 HydrophobicContact CE1-CD1 4.42Å; M123-L154 HydrophobicContact CE-CD1 4.04Å; M123-L154 HydrophobicContact SD-CD1 4.33Å; L154-N156 PolarHBondContact O-N 2.92Å; L154-N156 VanDerWaalsContact O-N 3.16Å; L154-A157 VanDerWaalsContact O-CB 3.31Å; L154-A157 WeakPolarHBondContact O-CB 3.46Å; L154-A157 PolarHBondContact O-N 3.28Å; L154-Q162 HydrophobicContact CD1-CG 4.35Å; L154-Q162 HydrophobicContact CG-CG 4.26Å; L154-Q162 VanDerWaalsContact O-CG 3.3Å; L154-Q162 WeakPolarHBondContact O-CG 3.41Å; L154-R327 PolarHBondContact N-O 2.98Å; L154-E330 HydrophobicContact CD2-CB 4.3Å
155	E	95	Very high	96.4	Very high	124 Å²	124	45.8 Å²	45.8	58%	0.579	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-62.8	-19.5	178.3	72.2	-72.2	170.1	0	0	113.9	G153 Q162	G153-E155 VanDerWaalsContact C-OE2 3.27Å; G153-E155 WeakPolarHBondContact CA-OE2 3.48Å; G153-E155 PolarHBondContact O-N 3.35Å; E155-Q162 PolarHBondContact O-NE2 2.86Å; E155-Q162 VanDerWaalsContact O-NE2 3.13Å
156	N	96.6	Very high	96.4	Very high	70 Å²	70	46.5 Å²	46.5	37%	0.374	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-90.2	-7.5	177.1	-59.2	-69.1	0	0	0	112.8	K149 G153 L154	K149-N156 WeakPolarHBondContact O-CB 3.5Å; G153-N156 PolarHBondContact N-ND2 3.12Å; G153-N156 WeakPolarHBondContact O-CB 3.42Å; G153-N156 PolarHBondContact O-N 3.45Å; L154-N156 PolarHBondContact O-N 2.92Å; L154-N156 VanDerWaalsContact O-N 3.16Å
157	A	97	Very high	96.5	Very high	7 Å²	7	46.3 Å²	46.3	6%	0.058	24%	0.235	C	C	.	.	S	Bend	trans	-80.6	162.2	173.3	0	0	0	0	0	111.2	Y119 W150 L154 L161 Q162	Y119-A157 HydrophobicContact CE1-CB 3.65Å; Y119-A157 WeakPolarHBondContact OH-CB 3.29Å; W150-A157 HydrophobicContact CB-CB 4.35Å; W150-A157 HydrophobicContact CD2-CB 4.49Å; W150-A157 HydrophobicContact CG-CB 4.35Å; L154-A157 VanDerWaalsContact O-CB 3.31Å; L154-A157 WeakPolarHBondContact O-CB 3.46Å; L154-A157 PolarHBondContact O-N 3.28Å; A157-L161 HydrophobicContact CB-CB 4.49Å; A157-Q162 PolarHBondContact O-NE2 3.46Å
158	P	97.3	Very high	96.5	Very high	33 Å²	33	43.2 Å²	43.2	21%	0.214	22%	0.219	C	C	.	.			trans	-56.2	142	173.1	-24.7	33.1	0	0	0	111.7	W150 K160 L161 Q162	W150-P158 HydrophobicContact CD2-CG 4.38Å; W150-P158 HydrophobicContact CH2-CG 3.45Å; W150-P158 VanDerWaalsContact CH2-CG 3.45Å; W150-P158 HydrophobicContact CZ2-CG 3.22Å; W150-P158 HydrophobicContact CZ3-CG 4.12Å; P158-K160 PolarHBondContact O-N 3.15Å; P158-L161 HydrophobicContact CG-CD1 4.37Å; P158-L161 PolarHBondContact O-N 3.49Å; P158-Q162 PolarHBondContact O-N 2.6Å; P158-Q162 VanDerWaalsContact O-N 3.08Å
159	Q	97	Very high	96.5	Very high	82 Å²	82	40.3 Å²	40.3	38%	0.383	20%	0.198	S	C	.	.	H	α-helix	trans	-54.3	-33	-179.9	-171.5	62.4	55.4	0	0	112.8	L161 Q162 N163 H192	Q159-L161 VanDerWaalsContact C-N 3.31Å; Q159-L161 PolarHBondContact O-N 3.11Å; Q159-Q162 PolarHBondContact O-N 3.33Å; Q159-N163 PolarHBondContact NE2-OD1 3.35Å; Q159-N163 WeakPolarHBondContact O-CB 3.45Å; Q159-N163 PolarHBondContact O-N 2.97Å; Q159-N163 PolarHBondContact O-ND2 2.83Å; Q159-N163 PolarHBondContact O-OD1 3.19Å; Q159-H192 VanDerWaalsContact CB-CD2 3.42Å; Q159-H192 WeakPolarHBondContact CB-CD2 3.4Å; Q159-H192 WeakPolarHBondContact CG-CD2 3.26Å
160	K	97.6	Very high	96.5	Very high	32 Å²	32	33.9 Å²	33.9	14%	0.139	17%	0.17	C	C	.	.	H	α-helix	trans	-55.4	-43.2	173.7	-174.4	169.3	-175	169.4	0	112.6	P158 H192 S193 W194 E198	P158-K160 PolarHBondContact O-N 3.15Å; K160-H192 HydrophobicContact CB-CB 4.17Å; K160-S193 WeakPolarHBondContact CE-O 3.14Å; K160-S193 PolarHBondContact NZ-O 2.83Å; K160-S193 VanDerWaalsContact NZ-O 3.15Å; K160-W194 HydrophobicContact CG-CD2 4.33Å; K160-W194 HydrophobicContact CG-CZ2 3.96Å; K160-W194 WeakPolarHBondContact O-CZ2 3.33Å; K160-W194 PolarHBondContact O-NE1 3Å; K160-E198 IonicContact NZ-OE1 3.51Å; K160-E198 PolarHBondContact NZ-OE1 2.9Å; K160-E198 IonicContact NZ-OE2 2.65Å; K160-E198 PolarHBondContact NZ-OE2 3.34Å
161	L	98	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-76.5	-36.9	177	-74.2	168.4	0	0	0	111.7	Y116 Y119 I120 M123 W150 A157 P158 Q159 N163 L164 W194	Y116-L161 HydrophobicContact CD1-CD1 3.8Å; Y116-L161 HydrophobicContact CD1-CD2 3.74Å; Y116-L161 HydrophobicContact CD1-CG 3.78Å; Y116-L161 HydrophobicContact CD2-CD1 4.37Å; Y116-L161 HydrophobicContact CE1-CD1 3.85Å; Y116-L161 HydrophobicContact CE1-CD2 4.22Å; Y116-L161 HydrophobicContact CE1-CG 3.78Å; Y116-L161 HydrophobicContact CE2-CD1 4.45Å; Y116-L161 HydrophobicContact CG-CD1 4.05Å; Y116-L161 HydrophobicContact CG-CD2 4.4Å; Y116-L161 HydrophobicContact CG-CG 4.49Å; Y119-L161 HydrophobicContact CD1-CB 4.49Å; Y119-L161 HydrophobicContact CD1-CD1 3.79Å; Y119-L161 HydrophobicContact CE1-CD1 4.44Å; Y119-L161 HydrophobicContact CG-CD1 4.36Å; I120-L161 HydrophobicContact CD1-CD2 4.07Å; I120-L161 HydrophobicContact CG1-CD2 3.7Å; M123-L161 WeakPolarHBondContact CE-O 3.47Å; W150-L161 HydrophobicContact CE3-CD1 4.08Å; W150-L161 HydrophobicContact CH2-CD1 4.21Å; W150-L161 HydrophobicContact CZ3-CD1 3.53Å; A157-L161 HydrophobicContact CB-CB 4.49Å; P158-L161 HydrophobicContact CG-CD1 4.37Å; P158-L161 PolarHBondContact O-N 3.49Å; Q159-L161 VanDerWaalsContact C-N 3.31Å; Q159-L161 PolarHBondContact O-N 3.11Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 3.43Å; L161-L164 VanDerWaalsContact O-CB 3.27Å; L161-L164 WeakPolarHBondContact O-CB 3.18Å; L161-L164 PolarHBondContact O-N 3.47Å; L161-L164 VanDerWaalsContact O-N 3.1Å; L161-W194 HydrophobicContact CD2-CH2 4.19Å; L161-W194 HydrophobicContact CD2-CZ2 4.26Å
162	Q	97.4	Very high	96.7	Very high	45 Å²	45	31.8 Å²	31.8	21%	0.21	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-43	173.4	-61.1	-173.4	38.7	0	0	111.6	L154 E155 A157 P158 Q159 L164 G165	L154-Q162 HydrophobicContact CD1-CG 4.35Å; L154-Q162 HydrophobicContact CG-CG 4.26Å; L154-Q162 VanDerWaalsContact O-CG 3.3Å; L154-Q162 WeakPolarHBondContact O-CG 3.41Å; E155-Q162 PolarHBondContact O-NE2 2.86Å; E155-Q162 VanDerWaalsContact O-NE2 3.13Å; A157-Q162 PolarHBondContact O-NE2 3.46Å; P158-Q162 PolarHBondContact O-N 2.6Å; P158-Q162 VanDerWaalsContact O-N 3.08Å; Q159-Q162 PolarHBondContact O-N 3.33Å; Q162-L164 PolarHBondContact O-N 2.92Å; Q162-L164 VanDerWaalsContact O-N 3.11Å; Q162-G165 PolarHBondContact O-N 2.96Å
163	N	96.9	Very high	96.9	Very high	51 Å²	51	27.3 Å²	27.3	27%	0.273	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.7	178	-67.6	-9.7	0	0	0	113	Q159 L161 G165 L186	Q159-N163 PolarHBondContact NE2-OD1 3.35Å; Q159-N163 WeakPolarHBondContact O-CB 3.45Å; Q159-N163 PolarHBondContact O-N 2.97Å; Q159-N163 PolarHBondContact O-ND2 2.83Å; Q159-N163 PolarHBondContact O-OD1 3.19Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 3.43Å; N163-G165 PolarHBondContact O-N 3.26Å; N163-L186 HydrophobicContact CB-CD2 4.05Å; N163-L186 VanDerWaalsContact O-CD2 3.26Å; N163-L186 WeakPolarHBondContact O-CD2 2.95Å
164	L	98	Very high	97.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.1	176.6	-169.5	65.7	0	0	0	112.7	I120 M123 L161 Q162 E166 L167 N168 L186 W194 L199 A202 L206	I120-L164 HydrophobicContact CD1-CD2 4.25Å; I120-L164 HydrophobicContact CG1-CD2 4Å; I120-L164 HydrophobicContact CG2-CD2 4.38Å; M123-L164 HydrophobicContact CE-CB 4.35Å; L161-L164 VanDerWaalsContact O-CB 3.27Å; L161-L164 WeakPolarHBondContact O-CB 3.18Å; L161-L164 PolarHBondContact O-N 3.47Å; L161-L164 VanDerWaalsContact O-N 3.1Å; Q162-L164 PolarHBondContact O-N 2.92Å; Q162-L164 VanDerWaalsContact O-N 3.11Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-E166 PolarHBondContact O-N 3.3Å; L164-L167 HydrophobicContact CD1-CB 4.46Å; L164-L167 HydrophobicContact CD1-CD2 4.21Å; L164-L167 PolarHBondContact O-N 2.81Å; L164-N168 WeakPolarHBondContact O-CB 3.33Å; L164-N168 PolarHBondContact O-N 2.87Å; L164-L186 HydrophobicContact CD1-CD1 4.18Å; L164-W194 HydrophobicContact CB-CZ2 4.05Å; L164-W194 HydrophobicContact CD1-CZ2 4.39Å; L164-W194 HydrophobicContact CD2-CH2 3.99Å; L164-W194 HydrophobicContact CD2-CZ2 4.08Å; L164-W194 HydrophobicContact CG-CZ2 4.41Å; L164-L199 HydrophobicContact CD1-CD1 4.34Å; L164-A202 HydrophobicContact CD1-CB 4.32Å; L164-A202 HydrophobicContact CD2-CB 4Å; L164-L206 HydrophobicContact CD1-CD1 4.17Å; L164-L206 HydrophobicContact CD2-CD1 4.17Å; L164-L206 HydrophobicContact CG-CD1 4.14Å
165	G	97	Very high	97.3	Very high	4 Å²	4	28.2 Å²	28.2	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-54.3	-43.3	-176.7	0	0	0	0	0	114.2	Q162 N163 N168 K169	Q162-G165 PolarHBondContact O-N 2.96Å; N163-G165 PolarHBondContact O-N 3.26Å; G165-N168 WeakPolarHBondContact O-CB 3.49Å; G165-N168 PolarHBondContact O-N 2.9Å; G165-K169 PolarHBondContact O-N 3.05Å
166	E	97.2	Very high	97.4	Very high	80 Å²	80	23.1 Å²	23.1	37%	0.374	12%	0.115	S	C	.	.	H	α-helix	trans	-62.8	-47.8	178.4	-175.3	65.7	-138.3	0	0	111.5	L164 N168 K169 V170 E330	L164-E166 VanDerWaalsContact C-N 3.34Å; L164-E166 PolarHBondContact O-N 3.3Å; E166-N168 PolarHBondContact O-N 3.37Å; E166-K169 VanDerWaalsContact CD-NZ 3.27Å; E166-K169 WeakPolarHBondContact O-CG 3.2Å; E166-K169 WeakPolarHBondContact OE1-CE 3.39Å; E166-K169 IonicContact OE1-NZ 3.87Å; E166-K169 PolarHBondContact OE1-NZ 3.3Å; E166-K169 WeakPolarHBondContact OE2-CE 3.28Å; E166-K169 IonicContact OE2-NZ 2.7Å; E166-K169 PolarHBondContact OE2-NZ 2.63Å; E166-V170 VanDerWaalsContact O-CG2 3.28Å; E166-V170 WeakPolarHBondContact O-CG2 3.2Å; E166-V170 PolarHBondContact O-N 2.88Å; E166-E330 PolarHBondContact N-OE1 2.65Å
167	L	98.4	Very high	97.3	Very high	2 Å²	2	22 Å²	22	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-41.1	178.2	-179.3	61.5	0	0	0	111.2	L164 V170 L171 I178 L186 L199 V203	L164-L167 HydrophobicContact CD1-CB 4.46Å; L164-L167 HydrophobicContact CD1-CD2 4.21Å; L164-L167 PolarHBondContact O-N 2.81Å; L167-V170 PolarHBondContact O-N 3.48Å; L167-L171 HydrophobicContact CD1-CD1 4.08Å; L167-L171 HydrophobicContact CD1-CG 4.17Å; L167-L171 HydrophobicContact CD2-CD1 4.4Å; L167-L171 HydrophobicContact CG-CD1 3.83Å; L167-L171 HydrophobicContact CG-CG 4.37Å; L167-L171 WeakPolarHBondContact O-CB 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.35Å; L167-I178 HydrophobicContact CD1-CD1 4.13Å; L167-I178 HydrophobicContact CD1-CG1 4.28Å; L167-I178 HydrophobicContact CD1-CG2 4.15Å; L167-L186 HydrophobicContact CB-CD1 4.1Å; L167-L186 HydrophobicContact CD2-CD1 3.63Å; L167-L186 HydrophobicContact CG-CD1 4.5Å; L167-L199 HydrophobicContact CD2-CD1 3.87Å; L167-V203 HydrophobicContact CD2-CG2 4.03Å
168	N	98.5	Very high	97.3	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.011	11%	0.108	C	C	.	.	H	α-helix	trans	-56.8	-52.9	177.9	179.4	24.2	0	0	0	111.9	M123 R127 L164 G165 E166 V170 L171 A172 L206 H210	M123-N168 PolarHBondContact O-ND2 3Å; M123-N168 VanDerWaalsContact O-ND2 3.1Å; R127-N168 WeakPolarHBondContact CG-OD1 3.43Å; L164-N168 WeakPolarHBondContact O-CB 3.33Å; L164-N168 PolarHBondContact O-N 2.87Å; G165-N168 WeakPolarHBondContact O-CB 3.49Å; G165-N168 PolarHBondContact O-N 2.9Å; E166-N168 PolarHBondContact O-N 3.37Å; N168-V170 VanDerWaalsContact C-N 3.32Å; N168-V170 PolarHBondContact O-N 3.14Å; N168-L171 PolarHBondContact O-N 2.88Å; N168-A172 WeakPolarHBondContact O-CB 3.33Å; N168-A172 PolarHBondContact O-N 3.49Å; N168-L206 HydrophobicContact CB-CD1 4.15Å; N168-L206 HydrophobicContact CB-CD2 4.02Å; N168-L206 WeakPolarHBondContact OD1-CD2 3.11Å; N168-H210 PolarHBondContact OD1-CE1 3.3Å; N168-H210 PolarHBondContact OD1-NE2 2.84Å
169	K	97.6	Very high	97.3	Very high	17 Å²	17	23.1 Å²	23.1	7%	0.074	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-35.9	-178.6	76	-177.4	-179.4	-160.1	0	112.7	R127 G165 E166 H173 D331 Y334	R127-K169 VanDerWaalsContact CZ-CB 3.47Å; G165-K169 PolarHBondContact O-N 3.05Å; E166-K169 VanDerWaalsContact CD-NZ 3.27Å; E166-K169 WeakPolarHBondContact O-CG 3.2Å; E166-K169 WeakPolarHBondContact OE1-CE 3.39Å; E166-K169 IonicContact OE1-NZ 3.87Å; E166-K169 PolarHBondContact OE1-NZ 3.3Å; E166-K169 WeakPolarHBondContact OE2-CE 3.28Å; E166-K169 IonicContact OE2-NZ 2.7Å; E166-K169 PolarHBondContact OE2-NZ 2.63Å; K169-H173 PolarHBondContact O-CD2 3.43Å; K169-H173 VanDerWaalsContact O-CD2 3.3Å; K169-D331 HydrophobicContact CD-CB 4.34Å; K169-Y334 HydrophobicContact CB-CD1 4.38Å; K169-Y334 HydrophobicContact CD-CD2 4.26Å; K169-Y334 HydrophobicContact CD-CG 4.31Å; K169-Y334 HydrophobicContact CG-CD1 4.49Å; K169-Y334 WeakPolarHBondContact O-CE1 3.04Å
170	V	97.9	Very high	97.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-71.1	-44.7	179	-179.1	0	0	0	0	109.8	E166 L167 N168 A172 H173 R174 P175 L177 I178	E166-V170 VanDerWaalsContact O-CG2 3.28Å; E166-V170 WeakPolarHBondContact O-CG2 3.2Å; E166-V170 PolarHBondContact O-N 2.88Å; L167-V170 PolarHBondContact O-N 3.48Å; N168-V170 VanDerWaalsContact C-N 3.32Å; N168-V170 PolarHBondContact O-N 3.14Å; V170-A172 PolarHBondContact O-N 3.31Å; V170-H173 PolarHBondContact O-N 3.49Å; V170-R174 WeakPolarHBondContact CG1-O 3.24Å; V170-R174 CarbonylContact O-C 2.9Å; V170-R174 WeakPolarHBondContact O-CA 3.07Å; V170-R174 PolarHBondContact O-N 3.04Å; V170-P175 WeakPolarHBondContact O-CA 2.96Å; V170-P175 VanDerWaalsContact O-N 3.09Å; V170-L177 HydrophobicContact CG1-CB 3.96Å; V170-I178 HydrophobicContact CB-CG1 4.3Å; V170-I178 HydrophobicContact CG1-CD1 4.49Å; V170-I178 HydrophobicContact CG1-CG1 3.55Å
171	L	98.2	Very high	97.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.3	-49.4	175.2	-85.7	169.8	0	0	0	112.5	L167 N168 H173 P175 I178 V203 L206 T207 E479 A483	L167-L171 HydrophobicContact CD1-CD1 4.08Å; L167-L171 HydrophobicContact CD1-CG 4.17Å; L167-L171 HydrophobicContact CD2-CD1 4.4Å; L167-L171 HydrophobicContact CG-CD1 3.83Å; L167-L171 HydrophobicContact CG-CG 4.37Å; L167-L171 WeakPolarHBondContact O-CB 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.35Å; N168-L171 PolarHBondContact O-N 2.88Å; L171-H173 PolarHBondContact O-N 3.45Å; L171-P175 HydrophobicContact CD2-CB 4.47Å; L171-I178 HydrophobicContact CB-CD1 4.47Å; L171-I178 HydrophobicContact CD2-CD1 3.28Å; L171-I178 HydrophobicContact CG-CD1 3.54Å; L171-V203 HydrophobicContact CD1-CG2 4.47Å; L171-L206 HydrophobicContact CD1-CB 4.37Å; L171-L206 HydrophobicContact CD1-CD1 3.93Å; L171-T207 HydrophobicContact CD2-CG2 4.17Å; L171-E479 HydrophobicContact CD2-CB 4.16Å; L171-A483 HydrophobicContact CD2-CB 4.03Å
172	A	98.1	Very high	97.3	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-24.7	-174	0	0	0	0	0	114.5	R127 H128 N168 V170 R475	R127-A172 HydrophobicContact CB-CB 3.72Å; R127-A172 HydrophobicContact CG-CB 3.94Å; H128-A172 PolarHBondContact CE1-O 2.96Å; H128-A172 PolarHBondContact NE2-O 3.46Å; N168-A172 WeakPolarHBondContact O-CB 3.33Å; N168-A172 PolarHBondContact O-N 3.49Å; V170-A172 PolarHBondContact O-N 3.31Å; A172-R475 PolarHBondContact O-NH2 3.27Å
173	H	96.5	Very high	97.3	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-134.6	-31.8	-165.8	-60.3	-58.8	0	0	0	115	R127 H128 K169 V170 L171 Y334 Y336	R127-H173 PolarHBondContact NE-NE2 3.47Å; R127-H173 PolarHBondContact NH2-CD2 3.21Å; R127-H173 VanDerWaalsContact NH2-CD2 3.34Å; R127-H173 PolarHBondContact NH2-NE2 3.46Å; R127-H173 VanDerWaalsContact NH2-NE2 3.11Å; R127-H173 PolarHBondContact O-CE1 3.31Å; R127-H173 VanDerWaalsContact O-CE1 3.28Å; R127-H173 PolarHBondContact O-NE2 3.47Å; H128-H173 AromaticContact CE1-CE1 3.81Å; H128-H173 AromaticContact CE1-ND1 3.88Å; K169-H173 PolarHBondContact O-CD2 3.43Å; K169-H173 VanDerWaalsContact O-CD2 3.3Å; V170-H173 PolarHBondContact O-N 3.49Å; L171-H173 PolarHBondContact O-N 3.45Å; H173-Y334 HydrophobicContact CB-CD1 4.1Å; H173-Y334 HydrophobicContact CB-CE1 3.93Å; H173-Y334 AromaticContact CD2-CD1 3.82Å; H173-Y336 VanDerWaalsContact O-CD2 3.25Å; H173-Y336 WeakPolarHBondContact O-CD2 3.47Å
174	R	96.2	Very high	97.3	Very high	31 Å²	31	27.9 Å²	27.9	12%	0.117	13%	0.133	C	C	.	.			trans	-148.2	57.2	-175.1	-54.8	-175.6	-157.4	146.4	13.3	111	V170 W176 L177 Y334 G335 K337	V170-R174 WeakPolarHBondContact CG1-O 3.24Å; V170-R174 CarbonylContact O-C 2.9Å; V170-R174 WeakPolarHBondContact O-CA 3.07Å; V170-R174 PolarHBondContact O-N 3.04Å; R174-W176 HydrophobicContact CB-CH2 4.31Å; R174-W176 HydrophobicContact CB-CZ2 3.74Å; R174-W176 HydrophobicContact CG-CH2 4.33Å; R174-W176 HydrophobicContact CG-CZ2 3.81Å; R174-W176 PolarHBondContact O-N 3.5Å; R174-L177 HydrophobicContact CB-CD1 3.83Å; R174-L177 HydrophobicContact CB-CG 4.12Å; R174-L177 HydrophobicContact CG-CD1 4.49Å; R174-L177 WeakPolarHBondContact O-CB 3.29Å; R174-L177 PolarHBondContact O-N 3.38Å; R174-Y334 HydrophobicContact CG-CE1 4.16Å; R174-G335 VanDerWaalsContact CZ-O 3.26Å; R174-G335 PolarHBondContact NE-O 3.31Å; R174-G335 PolarHBondContact NH2-O 2.95Å; R174-K337 VanDerWaalsContact CZ-CD 3.48Å; R174-K337 VanDerWaalsContact NH2-CE 3.33Å
175	P	97.4	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-61.4	-22.2	-170.5	25.7	-36.6	0	0	0	113.3	V170 L171 L177 I178 F413 E479 Y482	V170-P175 WeakPolarHBondContact O-CA 2.96Å; V170-P175 VanDerWaalsContact O-N 3.09Å; L171-P175 HydrophobicContact CD2-CB 4.47Å; P175-L177 PolarHBondContact O-N 3.46Å; P175-I178 HydrophobicContact CB-CD1 4.16Å; P175-I178 WeakPolarHBondContact O-CB 3.32Å; P175-I178 WeakPolarHBondContact O-CD1 3.33Å; P175-I178 WeakPolarHBondContact O-CG1 3.32Å; P175-I178 PolarHBondContact O-N 3.46Å; P175-F413 HydrophobicContact CG-CD1 3.55Å; P175-F413 HydrophobicContact CG-CE1 3.78Å; P175-E479 HydrophobicContact CB-CG 4.49Å; P175-E479 HydrophobicContact CG-CG 4.32Å; P175-Y482 HydrophobicContact CB-CD2 3.8Å; P175-Y482 HydrophobicContact CB-CG 4.15Å; P175-Y482 HydrophobicContact CG-CD2 3.97Å; P175-Y482 HydrophobicContact CG-CE2 4.44Å; P175-Y482 WeakPolarHBondContact O-CB 3.34Å
176	W	96.1	Very high	97.3	Very high	17 Å²	17	30.3 Å²	30.3	6%	0.064	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-65	-13.5	173.3	57.3	83.1	0	0	0	115.5	R174 I178 Y336 K337 F339 V346 F413 Y482	R174-W176 HydrophobicContact CB-CH2 4.31Å; R174-W176 HydrophobicContact CB-CZ2 3.74Å; R174-W176 HydrophobicContact CG-CH2 4.33Å; R174-W176 HydrophobicContact CG-CZ2 3.81Å; R174-W176 PolarHBondContact O-N 3.5Å; W176-I178 VanDerWaalsContact C-N 3.33Å; W176-Y336 HydrophobicContact CH2-CD2 4.12Å; W176-Y336 AromaticContact CH2-CE2 3.64Å; W176-Y336 HydrophobicContact CH2-CE2 3.64Å; W176-Y336 HydrophobicContact CZ3-CE2 4.18Å; W176-K337 VanDerWaalsContact CH2-O 3.24Å; W176-K337 WeakPolarHBondContact CH2-O 3.46Å; W176-K337 WeakPolarHBondContact CZ2-O 3.44Å; W176-F339 HydrophobicContact CB-CD2 3.69Å; W176-F339 HydrophobicContact CB-CE2 3.61Å; W176-F339 AromaticContact CD1-CD2 3.78Å; W176-F339 HydrophobicContact CD2-CB 4.33Å; W176-F339 AromaticContact CD2-CD2 3.55Å; W176-F339 HydrophobicContact CD2-CD2 3.55Å; W176-F339 HydrophobicContact CD2-CE2 4.38Å; W176-F339 HydrophobicContact CD2-CG 4.4Å; W176-F339 HydrophobicContact CE3-CB 4.47Å; W176-F339 AromaticContact CE3-CD2 3.99Å; W176-F339 HydrophobicContact CE3-CD2 3.99Å; W176-F339 AromaticContact CG-CD2 3.38Å; W176-F339 HydrophobicContact CG-CD2 3.38Å; W176-F339 AromaticContact CG-CE2 3.77Å; W176-F339 HydrophobicContact CG-CE2 3.77Å; W176-F339 HydrophobicContact CH2-CB 4.48Å; W176-F339 HydrophobicContact CZ2-CB 4.33Å; W176-V346 HydrophobicContact CB-CG1 4.18Å; W176-V346 HydrophobicContact CG-CG1 4.36Å; W176-F413 AromaticContact CE3-CD1 3.97Å; W176-F413 HydrophobicContact CE3-CD1 3.97Å; W176-F413 AromaticContact CZ3-CD1 3.6Å; W176-F413 HydrophobicContact CZ3-CD1 3.6Å; W176-F413 HydrophobicContact CZ3-CE1 4.12Å; W176-F413 HydrophobicContact CZ3-CG 4.36Å; W176-Y482 VanDerWaalsContact CA-CE1 3.42Å; W176-Y482 HydrophobicContact CB-CD1 4.33Å; W176-Y482 HydrophobicContact CB-CE1 3.67Å; W176-Y482 HydrophobicContact CB-CE2 4.09Å
177	L	95.8	Very high	97.3	Very high	45 Å²	45	27.7 Å²	27.7	24%	0.236	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-86.4	-4.5	173.6	-59.6	-179.9	0	0	0	112.9	V170 R174 P175 T179 H182 M344 V346	V170-L177 HydrophobicContact CG1-CB 3.96Å; R174-L177 HydrophobicContact CB-CD1 3.83Å; R174-L177 HydrophobicContact CB-CG 4.12Å; R174-L177 HydrophobicContact CG-CD1 4.49Å; R174-L177 WeakPolarHBondContact O-CB 3.29Å; R174-L177 PolarHBondContact O-N 3.38Å; P175-L177 PolarHBondContact O-N 3.46Å; L177-T179 WeakPolarHBondContact O-CG2 3.49Å; L177-T179 PolarHBondContact O-N 2.94Å; L177-H182 PolarHBondContact O-CE1 3.04Å; L177-H182 VanDerWaalsContact O-CE1 3.31Å; L177-M344 HydrophobicContact CD2-CE 3.93Å; L177-V346 HydrophobicContact CD2-CG2 4.1Å
178	I	97.3	Very high	97.1	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.051	17%	0.171	C	C	.	.			trans	-67.3	132.8	177.6	-60.1	169.9	0	0	0	109.5	L167 V170 L171 P175 W176 A486	L167-I178 HydrophobicContact CD1-CD1 4.13Å; L167-I178 HydrophobicContact CD1-CG1 4.28Å; L167-I178 HydrophobicContact CD1-CG2 4.15Å; V170-I178 HydrophobicContact CB-CG1 4.3Å; V170-I178 HydrophobicContact CG1-CD1 4.49Å; V170-I178 HydrophobicContact CG1-CG1 3.55Å; L171-I178 HydrophobicContact CB-CD1 4.47Å; L171-I178 HydrophobicContact CD2-CD1 3.28Å; L171-I178 HydrophobicContact CG-CD1 3.54Å; P175-I178 HydrophobicContact CB-CD1 4.16Å; P175-I178 WeakPolarHBondContact O-CB 3.32Å; P175-I178 WeakPolarHBondContact O-CD1 3.33Å; P175-I178 WeakPolarHBondContact O-CG1 3.32Å; P175-I178 PolarHBondContact O-N 3.46Å; W176-I178 VanDerWaalsContact C-N 3.33Å; I178-A486 HydrophobicContact CG2-CB 3.63Å
179	T	96.2	Very high	96.7	Very high	55 Å²	55	34.7 Å²	34.7	34%	0.337	18%	0.18	S	C	.	.			trans	-129.6	169.1	179.2	72.9	0	0	0	0	110.7	L177 E181 H182	L177-T179 WeakPolarHBondContact O-CG2 3.49Å; L177-T179 PolarHBondContact O-N 2.94Å; T179-E181 WeakPolarHBondContact CB-OE2 3.18Å; T179-E181 PolarHBondContact O-N 3.3Å; T179-E181 PolarHBondContact OG1-N 3.44Å; T179-E181 PolarHBondContact OG1-OE2 3.06Å; T179-H182 PolarHBondContact N-ND1 3.29Å; T179-H182 WeakPolarHBondContact O-CB 3.31Å; T179-H182 PolarHBondContact O-N 3.41Å; T179-H182 PolarHBondContact OG1-ND1 3.3Å
180	K	96.7	Very high	96.2	Very high	98 Å²	98	42.4 Å²	42.4	43%	0.426	22%	0.217	S	C	.	.	H	α-helix	trans	-63.7	-24.5	177.1	67.5	178.4	-174.1	174.4	0	112.5	H182 I183 E184 R489	K180-H182 VanDerWaalsContact C-N 3.33Å; K180-H182 PolarHBondContact O-N 2.88Å; K180-I183 WeakPolarHBondContact O-CB 3.3Å; K180-I183 PolarHBondContact O-N 3.1Å; K180-I183 VanDerWaalsContact O-N 3.14Å; K180-E184 WeakPolarHBondContact O-CB 3.33Å; K180-E184 PolarHBondContact O-N 3.49Å; K180-R489 HydrophobicContact CB-CB 4.35Å
181	E	97.4	Very high	95.9	Very high	100 Å²	100	50.7 Å²	50.7	47%	0.467	26%	0.255	S	S	.	.	H	α-helix	trans	-67.5	-33.8	177.9	-63.6	70.6	-151.5	0	0	111.6	T179 I183 E184 G185	T179-E181 WeakPolarHBondContact CB-OE2 3.18Å; T179-E181 PolarHBondContact O-N 3.3Å; T179-E181 PolarHBondContact OG1-N 3.44Å; T179-E181 PolarHBondContact OG1-OE2 3.06Å; E181-I183 VanDerWaalsContact C-N 3.28Å; E181-I183 PolarHBondContact O-N 3.25Å; E181-E184 PolarHBondContact O-N 3.49Å; E181-G185 PolarHBondContact O-N 2.78Å
182	H	98	Very high	95.7	Very high	46 Å²	46	53.8 Å²	53.8	21%	0.213	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-40.3	171.3	-64.8	87.9	0	0	0	111.1	L177 T179 K180	L177-H182 PolarHBondContact O-CE1 3.04Å; L177-H182 VanDerWaalsContact O-CE1 3.31Å; T179-H182 PolarHBondContact N-ND1 3.29Å; T179-H182 WeakPolarHBondContact O-CB 3.31Å; T179-H182 PolarHBondContact O-N 3.41Å; T179-H182 PolarHBondContact OG1-ND1 3.3Å; K180-H182 VanDerWaalsContact C-N 3.33Å; K180-H182 PolarHBondContact O-N 2.88Å
183	I	98.4	Very high	95.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.5	-46.7	178.1	-52	-52.3	0	0	0	110.5	K180 E181 G185 L186 L187 L199 A486 I487 Y490	K180-I183 WeakPolarHBondContact O-CB 3.3Å; K180-I183 PolarHBondContact O-N 3.1Å; K180-I183 VanDerWaalsContact O-N 3.14Å; E181-I183 VanDerWaalsContact C-N 3.28Å; E181-I183 PolarHBondContact O-N 3.25Å; I183-G185 VanDerWaalsContact C-N 3.31Å; I183-G185 PolarHBondContact O-N 2.97Å; I183-L186 PolarHBondContact O-N 2.9Å; I183-L187 HydrophobicContact CG2-CD1 3.72Å; I183-L187 HydrophobicContact CG2-CG 4.34Å; I183-L187 WeakPolarHBondContact O-CG 3.49Å; I183-L187 PolarHBondContact O-N 3.43Å; I183-L187 VanDerWaalsContact O-N 3.11Å; I183-L199 HydrophobicContact CD1-CD2 4.32Å; I183-L199 HydrophobicContact CG2-CD2 3.87Å; I183-A486 HydrophobicContact CD1-CB 4.32Å; I183-A486 HydrophobicContact CG1-CB 3.88Å; I183-I487 HydrophobicContact CD1-CG1 3.78Å; I183-I487 HydrophobicContact CG1-CG1 4.07Å; I183-I487 HydrophobicContact CG2-CG1 4.06Å; I183-Y490 HydrophobicContact CB-CG 4.5Å; I183-Y490 HydrophobicContact CG2-CD1 4.23Å; I183-Y490 HydrophobicContact CG2-CD2 4.46Å; I183-Y490 HydrophobicContact CG2-CG 3.94Å
184	E	97.5	Very high	95.7	Very high	65 Å²	65	55.8 Å²	55.8	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-58.4	-42.2	178.4	-177.8	171.3	-163.8	0	0	112.1	K180 E181 L186 L187 K188 Y490	K180-E184 WeakPolarHBondContact O-CB 3.33Å; K180-E184 PolarHBondContact O-N 3.49Å; E181-E184 PolarHBondContact O-N 3.49Å; E184-L186 VanDerWaalsContact C-N 3.29Å; E184-L186 PolarHBondContact O-N 2.87Å; E184-L187 PolarHBondContact O-N 2.95Å; E184-K188 HydrophobicContact CG-CD 3.65Å; E184-K188 HydrophobicContact CG-CG 4.13Å; E184-K188 WeakPolarHBondContact O-CB 3.25Å; E184-K188 PolarHBondContact O-N 2.83Å; E184-K188 VanDerWaalsContact OE1-CE 3.26Å; E184-K188 WeakPolarHBondContact OE1-CE 3.15Å; E184-K188 IonicContact OE1-NZ 3.3Å; E184-K188 PolarHBondContact OE1-NZ 3.3Å; E184-Y490 HydrophobicContact CB-CD2 3.91Å; E184-Y490 HydrophobicContact CB-CE2 3.83Å; E184-Y490 HydrophobicContact CG-CE2 4.03Å
185	G	97	Very high	95.7	Very high	49 Å²	49	56.8 Å²	56.8	51%	0.505	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-37.3	177.6	0	0	0	0	0	113.4	E181 I183	E181-G185 PolarHBondContact O-N 2.78Å; I183-G185 VanDerWaalsContact C-N 3.31Å; I183-G185 PolarHBondContact O-N 2.97Å
186	L	98	Very high	95.8	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-75.5	-37.7	177.6	-67.4	172.1	0	0	0	112.5	N163 L164 L167 I183 E184 W194 L199	N163-L186 HydrophobicContact CB-CD2 4.05Å; N163-L186 VanDerWaalsContact O-CD2 3.26Å; N163-L186 WeakPolarHBondContact O-CD2 2.95Å; L164-L186 HydrophobicContact CD1-CD1 4.18Å; L167-L186 HydrophobicContact CB-CD1 4.1Å; L167-L186 HydrophobicContact CD2-CD1 3.63Å; L167-L186 HydrophobicContact CG-CD1 4.5Å; I183-L186 PolarHBondContact O-N 2.9Å; E184-L186 VanDerWaalsContact C-N 3.29Å; E184-L186 PolarHBondContact O-N 2.87Å; L186-W194 HydrophobicContact CB-CB 4.37Å; L186-W194 HydrophobicContact CB-CG 4.31Å; L186-W194 PolarHBondContact O-N 2.87Å; L186-L199 HydrophobicContact CD1-CD1 3.53Å; L186-L199 HydrophobicContact CD1-CD2 4.36Å
187	L	97.1	Very high	95.9	Very high	24 Å²	24	59.3 Å²	59.3	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-81	-24.1	-176.6	-61.3	176.5	0	0	0	113	I183 E184 W194 L196 L199 Y490	I183-L187 HydrophobicContact CG2-CD1 3.72Å; I183-L187 HydrophobicContact CG2-CG 4.34Å; I183-L187 WeakPolarHBondContact O-CG 3.49Å; I183-L187 PolarHBondContact O-N 3.43Å; I183-L187 VanDerWaalsContact O-N 3.11Å; E184-L187 PolarHBondContact O-N 2.95Å; L187-W194 HydrophobicContact CD2-CB 4.22Å; L187-W194 WeakPolarHBondContact CD2-O 3.45Å; L187-L196 HydrophobicContact CD1-CD2 3.65Å; L187-L196 HydrophobicContact CD1-CG 4.19Å; L187-L196 HydrophobicContact CD2-CD2 4.32Å; L187-L196 HydrophobicContact CD2-CG 4.37Å; L187-L199 HydrophobicContact CD2-CD2 4.11Å; L187-L199 HydrophobicContact CG-CD2 4.33Å; L187-Y490 HydrophobicContact CD1-CD1 3.54Å; L187-Y490 HydrophobicContact CD1-CE1 3.12Å; L187-Y490 HydrophobicContact CD1-CE2 4.17Å; L187-Y490 HydrophobicContact CD1-CG 4.23Å; L187-Y490 VanDerWaalsContact CD1-CZ 3.46Å; L187-Y490 HydrophobicContact CG-CE1 4.46Å
188	K	94.4	Very high	96	Very high	127 Å²	127	59 Å²	59	55%	0.552	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	11.5	-180	-65.2	-170.1	177.2	178.7	0	114.4	E184 E190	E184-K188 HydrophobicContact CG-CD 3.65Å; E184-K188 HydrophobicContact CG-CG 4.13Å; E184-K188 WeakPolarHBondContact O-CB 3.25Å; E184-K188 PolarHBondContact O-N 2.83Å; E184-K188 VanDerWaalsContact OE1-CE 3.26Å; E184-K188 WeakPolarHBondContact OE1-CE 3.15Å; E184-K188 IonicContact OE1-NZ 3.3Å; E184-K188 PolarHBondContact OE1-NZ 3.3Å; K188-E190 PolarHBondContact O-N 2.84Å
189	A	88.3	Confident	96.1	Very high	25 Å²	25	58.5 Å²	58.5	21%	0.207	31%	0.308	C	S	.	.			trans	-75.1	42.8	-176.3	0	0	0	0	0	114.8	E191 H192 S193	A189-E191 PolarHBondContact O-N 3.28Å; A189-E191 VanDerWaalsContact O-N 3.12Å; A189-H192 CarbonylContact O-C 3.6Å; A189-H192 VanDerWaalsContact O-C 3.32Å; A189-H192 WeakPolarHBondContact O-CA 3.22Å; A189-H192 PolarHBondContact O-N 2.88Å; A189-S193 PolarHBondContact O-N 3.16Å
190	E	88.5	Confident	96.2	Very high	179 Å²	179	55.9 Å²	55.9	84%	0.836	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	36.1	-110.8	176.3	-61.1	-176.3	-178.1	0	0	114	K188 H192 S193	K188-E190 PolarHBondContact O-N 2.84Å; E190-H192 PolarHBondContact O-N 3.48Å; E190-S193 PolarHBondContact O-N 2.98Å; E190-S193 PolarHBondContact O-OG 3.38Å
191	E	91.2	Very high	96.3	Very high	176 Å²	176	51.2 Å²	51.2	82%	0.822	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-62.2	-21.6	-178.6	-171.6	176	174.5	0	0	113.9	A189	A189-E191 PolarHBondContact O-N 3.28Å; A189-E191 VanDerWaalsContact O-N 3.12Å
192	H	93.4	Very high	96.3	Very high	64 Å²	64	46.4 Å²	46.4	30%	0.296	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-118.7	25.2	-175.9	-53.9	-43.6	0	0	0	112.4	Q159 K160 A189 E190	Q159-H192 VanDerWaalsContact CB-CD2 3.42Å; Q159-H192 WeakPolarHBondContact CB-CD2 3.4Å; Q159-H192 WeakPolarHBondContact CG-CD2 3.26Å; K160-H192 HydrophobicContact CB-CB 4.17Å; A189-H192 CarbonylContact O-C 3.6Å; A189-H192 VanDerWaalsContact O-C 3.32Å; A189-H192 WeakPolarHBondContact O-CA 3.22Å; A189-H192 PolarHBondContact O-N 2.88Å; E190-H192 PolarHBondContact O-N 3.48Å
193	S	95.9	Very high	96.4	Very high	48 Å²	48	44.2 Å²	44.2	34%	0.336	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-62.3	139.6	178.6	64.6	0	0	0	0	112.2	K160 A189 E190	K160-S193 WeakPolarHBondContact CE-O 3.14Å; K160-S193 PolarHBondContact NZ-O 2.83Å; K160-S193 VanDerWaalsContact NZ-O 3.15Å; A189-S193 PolarHBondContact O-N 3.16Å; E190-S193 PolarHBondContact O-N 2.98Å; E190-S193 PolarHBondContact O-OG 3.38Å
194	W	98.2	Very high	96.4	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.019	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-83.4	143	164.7	-69.6	76.2	0	0	0	109.9	L112 I120 K160 L161 L164 L186 L187 E198 L199 A202	L112-W194 HydrophobicContact CD1-CZ3 4.25Å; L112-W194 HydrophobicContact CD2-CH2 4.33Å; L112-W194 HydrophobicContact CD2-CZ3 3.77Å; I120-W194 HydrophobicContact CD1-CH2 4.14Å; K160-W194 HydrophobicContact CG-CD2 4.33Å; K160-W194 HydrophobicContact CG-CZ2 3.96Å; K160-W194 WeakPolarHBondContact O-CZ2 3.33Å; K160-W194 PolarHBondContact O-NE1 3Å; L161-W194 HydrophobicContact CD2-CH2 4.19Å; L161-W194 HydrophobicContact CD2-CZ2 4.26Å; L164-W194 HydrophobicContact CB-CZ2 4.05Å; L164-W194 HydrophobicContact CD1-CZ2 4.39Å; L164-W194 HydrophobicContact CD2-CH2 3.99Å; L164-W194 HydrophobicContact CD2-CZ2 4.08Å; L164-W194 HydrophobicContact CG-CZ2 4.41Å; L186-W194 HydrophobicContact CB-CB 4.37Å; L186-W194 HydrophobicContact CB-CG 4.31Å; L186-W194 PolarHBondContact O-N 2.87Å; L187-W194 HydrophobicContact CD2-CB 4.22Å; L187-W194 WeakPolarHBondContact CD2-O 3.45Å; W194-E198 HydrophobicContact CE3-CB 3.65Å; W194-E198 HydrophobicContact CZ3-CB 4.08Å; W194-L199 HydrophobicContact CB-CB 4.39Å; W194-A202 HydrophobicContact CE3-CB 4.42Å; W194-A202 HydrophobicContact CH2-CB 4Å; W194-A202 HydrophobicContact CZ3-CB 3.63Å
195	S	97.7	Very high	96.5	Very high	52 Å²	52	41.2 Å²	41.2	36%	0.364	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-81.6	160	159.5	66.6	0	0	0	0	110.2	A197 E198 L199	S195-A197 PolarHBondContact O-N 3.31Å; S195-E198 PolarHBondContact N-OE2 3.39Å; S195-E198 PolarHBondContact O-N 3.18Å; S195-E198 WeakPolarHBondContact OG-CB 3.4Å; S195-E198 WeakPolarHBondContact OG-CG 3.48Å; S195-E198 PolarHBondContact OG-N 3.19Å; S195-E198 PolarHBondContact OG-OE2 2.73Å; S195-L199 WeakPolarHBondContact O-CB 3.42Å; S195-L199 PolarHBondContact O-N 3.38Å
196	L	98	Very high	96.5	Very high	43 Å²	43	38.9 Å²	38.9	23%	0.225	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-37.4	175.4	-77.8	168.7	0	0	0	112.6	L187 L199 V200 L367 I487 Y490 M491	L187-L196 HydrophobicContact CD1-CD2 3.65Å; L187-L196 HydrophobicContact CD1-CG 4.19Å; L187-L196 HydrophobicContact CD2-CD2 4.32Å; L187-L196 HydrophobicContact CD2-CG 4.37Å; L196-L199 PolarHBondContact O-N 3.07Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 2.87Å; L196-L367 HydrophobicContact CB-CD1 4.13Å; L196-L367 HydrophobicContact CB-CD2 3.81Å; L196-I487 HydrophobicContact CD2-CG2 4Å; L196-Y490 HydrophobicContact CD2-CD1 4.48Å; L196-M491 HydrophobicContact CD1-CE 3.78Å; L196-M491 HydrophobicContact CD1-CG 4.18Å; L196-M491 HydrophobicContact CD1-SD 4.05Å; L196-M491 HydrophobicContact CD2-CG 4.35Å; L196-M491 HydrophobicContact CD2-SD 4.38Å
197	A	98.3	Very high	96.6	Very high	28 Å²	28	38.5 Å²	38.5	23%	0.231	20%	0.2	C	C	.	.	H	α-helix	trans	-67	-46.6	178.4	0	0	0	0	0	111.8	P111 S195 L199 V200 H201 L367	P111-A197 HydrophobicContact CB-CB 4.01Å; P111-A197 HydrophobicContact CG-CB 3.81Å; S195-A197 PolarHBondContact O-N 3.31Å; A197-L199 VanDerWaalsContact C-N 3.32Å; A197-L199 PolarHBondContact O-N 3.07Å; A197-V200 PolarHBondContact O-N 3.4Å; A197-H201 WeakPolarHBondContact O-CB 3.35Å; A197-H201 PolarHBondContact O-N 3.32Å; A197-L367 WeakPolarHBondContact CA-O 3.02Å; A197-L367 VanDerWaalsContact CB-O 3.25Å; A197-L367 WeakPolarHBondContact CB-O 3.35Å
198	E	98.5	Very high	96.7	Very high	37 Å²	37	37.5 Å²	37.5	17%	0.173	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-41.5	174.5	-71.2	170.1	130.6	0	0	111.7	P111 L112 K160 W194 S195 H201 A202	P111-E198 HydrophobicContact CB-CG 4.1Å; L112-E198 HydrophobicContact CD2-CB 3.87Å; L112-E198 HydrophobicContact CD2-CG 3.86Å; L112-E198 HydrophobicContact CG-CB 4.37Å; L112-E198 HydrophobicContact CG-CG 4.44Å; K160-E198 IonicContact NZ-OE1 3.51Å; K160-E198 PolarHBondContact NZ-OE1 2.9Å; K160-E198 IonicContact NZ-OE2 2.65Å; K160-E198 PolarHBondContact NZ-OE2 3.34Å; W194-E198 HydrophobicContact CE3-CB 3.65Å; W194-E198 HydrophobicContact CZ3-CB 4.08Å; S195-E198 PolarHBondContact N-OE2 3.39Å; S195-E198 PolarHBondContact O-N 3.18Å; S195-E198 WeakPolarHBondContact OG-CB 3.4Å; S195-E198 WeakPolarHBondContact OG-CG 3.48Å; S195-E198 PolarHBondContact OG-N 3.19Å; S195-E198 PolarHBondContact OG-OE2 2.73Å; E198-H201 PolarHBondContact O-N 3.18Å; E198-A202 WeakPolarHBondContact O-CB 3.38Å; E198-A202 PolarHBondContact O-N 2.88Å
199	L	98.6	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-43.3	-179.4	-178.2	56.8	0	0	0	111.8	L164 L167 I183 L186 L187 W194 S195 L196 A197 H201 A202 V203	L164-L199 HydrophobicContact CD1-CD1 4.34Å; L167-L199 HydrophobicContact CD2-CD1 3.87Å; I183-L199 HydrophobicContact CD1-CD2 4.32Å; I183-L199 HydrophobicContact CG2-CD2 3.87Å; L186-L199 HydrophobicContact CD1-CD1 3.53Å; L186-L199 HydrophobicContact CD1-CD2 4.36Å; L187-L199 HydrophobicContact CD2-CD2 4.11Å; L187-L199 HydrophobicContact CG-CD2 4.33Å; W194-L199 HydrophobicContact CB-CB 4.39Å; S195-L199 WeakPolarHBondContact O-CB 3.42Å; S195-L199 PolarHBondContact O-N 3.38Å; L196-L199 PolarHBondContact O-N 3.07Å; A197-L199 VanDerWaalsContact C-N 3.32Å; A197-L199 PolarHBondContact O-N 3.07Å; L199-H201 VanDerWaalsContact C-N 3.33Å; L199-H201 PolarHBondContact O-N 3.48Å; L199-A202 PolarHBondContact O-N 2.94Å; L199-V203 HydrophobicContact CD1-CG2 4.3Å; L199-V203 WeakPolarHBondContact O-CB 3.36Å; L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.43Å; L199-V203 PolarHBondContact O-N 2.94Å
200	V	98.5	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-42.8	174.8	165.8	0	0	0	0	111	L196 A197 A202 V203 V204 V364 L367 I487	L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 2.87Å; A197-V200 PolarHBondContact O-N 3.4Å; V200-A202 PolarHBondContact O-N 2.84Å; V200-V203 PolarHBondContact O-N 3.47Å; V200-V204 WeakPolarHBondContact O-CG2 3.48Å; V200-V204 PolarHBondContact O-N 2.99Å; V200-V364 HydrophobicContact CG1-CB 4.48Å; V200-V364 HydrophobicContact CG1-CG1 4.22Å; V200-V364 HydrophobicContact CG1-CG2 4.31Å; V200-L367 HydrophobicContact CB-CB 4.07Å; V200-L367 HydrophobicContact CG1-CB 4.28Å; V200-L367 HydrophobicContact CG2-CB 3.89Å; V200-L367 HydrophobicContact CG2-CD1 3.47Å; V200-L367 VanDerWaalsContact CG2-CD1 3.47Å; V200-L367 HydrophobicContact CG2-CG 4.32Å; V200-I487 HydrophobicContact CG2-CD1 3.97Å
201	H	98.7	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.4	-45.7	175.3	-167	167.3	0	0	0	111.3	L105 P111 L112 R117 A197 E198 L199 V203 V204 L205 Y368	L105-H201 PolarHBondContact O-NE2 3.44Å; P111-H201 HydrophobicContact CB-CB 4.41Å; P111-H201 WeakPolarHBondContact CD-ND1 3.48Å; P111-H201 HydrophobicContact CG-CB 4.37Å; L112-H201 HydrophobicContact CD1-CB 3.92Å; L112-H201 HydrophobicContact CG-CB 4.29Å; R117-H201 PolarHBondContact NE-CE1 3.04Å; A197-H201 WeakPolarHBondContact O-CB 3.35Å; A197-H201 PolarHBondContact O-N 3.32Å; E198-H201 PolarHBondContact O-N 3.18Å; L199-H201 VanDerWaalsContact C-N 3.33Å; L199-H201 PolarHBondContact O-N 3.48Å; H201-V203 PolarHBondContact O-N 3.35Å; H201-V204 PolarHBondContact O-N 2.9Å; H201-L205 WeakPolarHBondContact O-CG 3.2Å; H201-L205 PolarHBondContact O-N 3.44Å; H201-Y368 HydrophobicContact CB-CD1 4.08Å; H201-Y368 HydrophobicContact CB-CE1 4.31Å; H201-Y368 AromaticContact CD2-CE1 3.42Å; H201-Y368 VanDerWaalsContact CD2-CE1 3.42Å; H201-Y368 WeakPolarHBondContact CD2-CE1 3.21Å; H201-Y368 AromaticContact CE1-CE1 3.68Å; H201-Y368 AromaticContact CE1-CZ 3.5Å; H201-Y368 PolarHBondContact CE1-OH 3.14Å; H201-Y368 VanDerWaalsContact CE1-OH 3.23Å; H201-Y368 AromaticContact CG-CD1 3.93Å; H201-Y368 AromaticContact CG-CE1 3.65Å; H201-Y368 AromaticContact ND1-CE1 3.83Å; H201-Y368 AromaticContact ND1-CZ 3.84Å; H201-Y368 AromaticContact NE2-CE1 3.47Å; H201-Y368 WeakPolarHBondContact NE2-CE1 3.49Å; H201-Y368 AromaticContact NE2-CZ 3.68Å; H201-Y368 PolarHBondContact NE2-OH 3.33Å
202	A	98.8	Very high	98.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.5	-45	175.6	0	0	0	0	0	112.3	L112 I120 L164 W194 E198 L199 V200 V204 L205 L206	L112-A202 HydrophobicContact CD1-CB 4.21Å; I120-A202 HydrophobicContact CD1-CB 3.97Å; L164-A202 HydrophobicContact CD1-CB 4.32Å; L164-A202 HydrophobicContact CD2-CB 4Å; W194-A202 HydrophobicContact CE3-CB 4.42Å; W194-A202 HydrophobicContact CH2-CB 4Å; W194-A202 HydrophobicContact CZ3-CB 3.63Å; E198-A202 WeakPolarHBondContact O-CB 3.38Å; E198-A202 PolarHBondContact O-N 2.88Å; L199-A202 PolarHBondContact O-N 2.94Å; V200-A202 PolarHBondContact O-N 2.84Å; A202-V204 VanDerWaalsContact C-N 3.33Å; A202-V204 PolarHBondContact O-N 3.49Å; A202-L205 PolarHBondContact O-N 3.47Å; A202-L206 WeakPolarHBondContact O-CB 3.42Å; A202-L206 VanDerWaalsContact O-CG 3.24Å; A202-L206 WeakPolarHBondContact O-CG 3.32Å; A202-L206 PolarHBondContact O-N 3.39Å
203	V	98.8	Very high	98.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.3	-43.7	176.9	164.8	0	0	0	0	111.4	L167 L171 L199 V200 H201 L206 T207 L480 A483	L167-V203 HydrophobicContact CD2-CG2 4.03Å; L171-V203 HydrophobicContact CD1-CG2 4.47Å; L199-V203 HydrophobicContact CD1-CG2 4.3Å; L199-V203 WeakPolarHBondContact O-CB 3.36Å; L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.43Å; L199-V203 PolarHBondContact O-N 2.94Å; V200-V203 PolarHBondContact O-N 3.47Å; H201-V203 PolarHBondContact O-N 3.35Å; V203-L206 PolarHBondContact O-N 3.43Å; V203-T207 HydrophobicContact CG1-CG2 4.39Å; V203-T207 WeakPolarHBondContact O-CG2 3.4Å; V203-T207 PolarHBondContact O-N 3.4Å; V203-T207 PolarHBondContact O-OG1 3.11Å; V203-L480 HydrophobicContact CG1-CD2 3.9Å; V203-A483 HydrophobicContact CG1-CB 3.59Å; V203-A483 HydrophobicContact CG2-CB 4.27Å
204	V	98.8	Very high	98.5	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-61.7	-45.4	176.3	172.3	0	0	0	0	110.9	L105 V200 H201 A202 T207 H208 V364 V371 I375 L480	L105-V204 HydrophobicContact CD1-CG1 4.1Å; L105-V204 HydrophobicContact CD2-CG1 3.59Å; V200-V204 WeakPolarHBondContact O-CG2 3.48Å; V200-V204 PolarHBondContact O-N 2.99Å; H201-V204 PolarHBondContact O-N 2.9Å; A202-V204 VanDerWaalsContact C-N 3.33Å; A202-V204 PolarHBondContact O-N 3.49Å; V204-T207 PolarHBondContact O-OG1 3.1Å; V204-H208 WeakPolarHBondContact O-CB 3.18Å; V204-H208 PolarHBondContact O-N 3.39Å; V204-V364 HydrophobicContact CG2-CG1 4.41Å; V204-V371 HydrophobicContact CG1-CG2 4.16Å; V204-I375 HydrophobicContact CG1-CD1 3.81Å; V204-I375 HydrophobicContact CG2-CD1 3.97Å; V204-L480 HydrophobicContact CG2-CD2 4.38Å
205	L	98.9	Very high	98.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.9	-46.6	176.5	-71.5	165.8	0	0	0	112	L105 L106 L112 R117 I120 H201 A202 H208 Y209	L105-L205 HydrophobicContact CB-CD2 4.06Å; L105-L205 HydrophobicContact CD1-CD2 4.5Å; L106-L205 HydrophobicContact CD2-CD2 4.04Å; L112-L205 HydrophobicContact CD1-CD1 4.3Å; R117-L205 HydrophobicContact CB-CD1 3.82Å; R117-L205 HydrophobicContact CG-CD1 4.11Å; I120-L205 HydrophobicContact CB-CD1 4.37Å; I120-L205 HydrophobicContact CD1-CD1 4.27Å; I120-L205 HydrophobicContact CG2-CB 3.71Å; I120-L205 HydrophobicContact CG2-CD1 4.3Å; H201-L205 WeakPolarHBondContact O-CG 3.2Å; H201-L205 PolarHBondContact O-N 3.44Å; A202-L205 PolarHBondContact O-N 3.47Å; L205-H208 PolarHBondContact O-N 3.49Å; L205-Y209 HydrophobicContact CD2-CE2 4.02Å; L205-Y209 WeakPolarHBondContact O-CD2 3.48Å; L205-Y209 PolarHBondContact O-N 2.79Å
206	L	98.9	Very high	98.6	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-57.7	-57.2	179.5	-71.7	176.6	0	0	0	111.1	I120 A124 L164 N168 L171 A202 V203 H208 Y209 H210	I120-L206 HydrophobicContact CG2-CD2 3.67Å; I120-L206 HydrophobicContact CG2-CG 3.9Å; A124-L206 HydrophobicContact CB-CD2 3.85Å; L164-L206 HydrophobicContact CD1-CD1 4.17Å; L164-L206 HydrophobicContact CD2-CD1 4.17Å; L164-L206 HydrophobicContact CG-CD1 4.14Å; N168-L206 HydrophobicContact CB-CD1 4.15Å; N168-L206 HydrophobicContact CB-CD2 4.02Å; N168-L206 WeakPolarHBondContact OD1-CD2 3.11Å; L171-L206 HydrophobicContact CD1-CB 4.37Å; L171-L206 HydrophobicContact CD1-CD1 3.93Å; A202-L206 WeakPolarHBondContact O-CB 3.42Å; A202-L206 VanDerWaalsContact O-CG 3.24Å; A202-L206 WeakPolarHBondContact O-CG 3.32Å; A202-L206 PolarHBondContact O-N 3.39Å; V203-L206 PolarHBondContact O-N 3.43Å; L206-H208 VanDerWaalsContact C-N 3.29Å; L206-H208 PolarHBondContact O-N 3.36Å; L206-Y209 PolarHBondContact O-N 3.12Å; L206-H210 PolarHBondContact O-CD2 2.85Å; L206-H210 VanDerWaalsContact O-CD2 3.31Å; L206-H210 PolarHBondContact O-N 3.22Å; L206-H210 PolarHBondContact O-ND1 3.47Å
207	T	98.8	Very high	98.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62.5	-36.2	-178.5	56	0	0	0	0	112.6	L171 V203 V204 S211 E479 L480	L171-T207 HydrophobicContact CD2-CG2 4.17Å; V203-T207 HydrophobicContact CG1-CG2 4.39Å; V203-T207 WeakPolarHBondContact O-CG2 3.4Å; V203-T207 PolarHBondContact O-N 3.4Å; V203-T207 PolarHBondContact O-OG1 3.11Å; V204-T207 PolarHBondContact O-OG1 3.1Å; T207-S211 WeakPolarHBondContact O-CB 3.31Å; T207-S211 PolarHBondContact O-N 3.34Å; T207-S211 VanDerWaalsContact O-N 3.15Å; T207-S211 PolarHBondContact O-OG 3.25Å; T207-E479 HydrophobicContact CG2-CB 3.47Å; T207-E479 VanDerWaalsContact CG2-CB 3.47Å; T207-L480 HydrophobicContact CG2-CD2 4.06Å; T207-L480 HydrophobicContact CG2-CG 4.23Å; T207-L480 WeakPolarHBondContact OG1-CD2 3.49Å
208	H	98.7	Very high	98.6	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.009	2%	0.019	C	C	.	.	H	α-helix	trans	-61.5	-48.6	174.7	-175.2	76.2	0	0	0	111.7	F98 Q102 L105 V204 L205 L206 S211 L212 M476	F98-H208 AromaticContact CE2-CE1 3.7Å; F98-H208 AromaticContact CE2-NE2 3.79Å; Q102-H208 PolarHBondContact NE2-CD2 2.92Å; Q102-H208 PolarHBondContact NE2-NE2 3.29Å; L105-H208 HydrophobicContact CD1-CB 4.49Å; V204-H208 WeakPolarHBondContact O-CB 3.18Å; V204-H208 PolarHBondContact O-N 3.39Å; L205-H208 PolarHBondContact O-N 3.49Å; L206-H208 VanDerWaalsContact C-N 3.29Å; L206-H208 PolarHBondContact O-N 3.36Å; H208-S211 PolarHBondContact O-N 3.43Å; H208-L212 WeakPolarHBondContact O-CB 3.27Å; H208-L212 PolarHBondContact O-N 3.36Å; H208-M476 HydrophobicContact CB-CE 4.06Å; H208-M476 HydrophobicContact CB-SD 4.35Å
209	Y	98.7	Very high	98.5	Very high	1 Å²	1	2.1 Å²	2.1	0%	0.004	1%	0.011	C	C	.	.	H	α-helix	trans	-82.8	-21.7	-176.6	-72.3	-63.7	0	0	0	114.4	Q102 L106 L133 H137 L205 L206 S211 L212 A213	Q102-Y209 PolarHBondContact NE2-OH 3.48Å; Q102-Y209 PolarHBondContact OE1-OH 3.36Å; L106-Y209 WeakPolarHBondContact CD1-OH 3.18Å; L106-Y209 HydrophobicContact CD2-CE2 4.46Å; L133-Y209 HydrophobicContact CD1-CD1 4.45Å; H137-Y209 AromaticContact CE1-CE1 3.77Å; H137-Y209 AromaticContact CE1-CE2 3.67Å; H137-Y209 AromaticContact CE1-CZ 3.28Å; H137-Y209 PolarHBondContact CE1-OH 3.21Å; H137-Y209 VanDerWaalsContact CE1-OH 3.23Å; H137-Y209 AromaticContact NE2-CD1 3.58Å; H137-Y209 AromaticContact NE2-CE1 3.02Å; H137-Y209 WeakPolarHBondContact NE2-CE1 3.37Å; H137-Y209 AromaticContact NE2-CE2 3.61Å; H137-Y209 AromaticContact NE2-CZ 3.03Å; H137-Y209 PolarHBondContact NE2-OH 3.26Å; L205-Y209 HydrophobicContact CD2-CE2 4.02Å; L205-Y209 WeakPolarHBondContact O-CD2 3.48Å; L205-Y209 PolarHBondContact O-N 2.79Å; L206-Y209 PolarHBondContact O-N 3.12Å; Y209-S211 VanDerWaalsContact C-N 3.33Å; Y209-L212 HydrophobicContact CD1-CB 4.32Å; Y209-L212 HydrophobicContact CD1-CD2 3.87Å; Y209-L212 HydrophobicContact CE1-CD2 3.76Å; Y209-A213 WeakPolarHBondContact O-CB 3.38Å; Y209-A213 PolarHBondContact O-N 2.81Å
210	H	98.7	Very high	98.4	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-60.6	-47	163.5	-63	160.4	0	0	0	110.9	A124 N168 L206 A213 S214 R475 E479	A124-H210 PolarHBondContact O-CD2 3.36Å; N168-H210 PolarHBondContact OD1-CE1 3.3Å; N168-H210 PolarHBondContact OD1-NE2 2.84Å; L206-H210 PolarHBondContact O-CD2 2.85Å; L206-H210 VanDerWaalsContact O-CD2 3.31Å; L206-H210 PolarHBondContact O-N 3.22Å; L206-H210 PolarHBondContact O-ND1 3.47Å; H210-A213 WeakPolarHBondContact O-CB 3.43Å; H210-A213 PolarHBondContact O-N 3.32Å; H210-S214 PolarHBondContact O-N 3.33Å; H210-R475 PolarHBondContact O-NH1 2.98Å; H210-E479 IonicContact CE1-OE2 3.58Å; H210-E479 IonicContact CG-OE2 3.32Å; H210-E479 IonicContact ND1-OE1 2.97Å; H210-E479 IonicContact ND1-OE2 2.68Å; H210-E479 PolarHBondContact ND1-OE2 3.23Å
211	S	98.6	Very high	98.3	Very high	2 Å²	2	2.8 Å²	2.8	1%	0.014	2%	0.016	C	C	.	.	H	α-helix	trans	-72.4	-39	-178.8	-54.9	0	0	0	0	111.7	T207 H208 Y209 A213 S214 F215 I472 M476	T207-S211 WeakPolarHBondContact O-CB 3.31Å; T207-S211 PolarHBondContact O-N 3.34Å; T207-S211 VanDerWaalsContact O-N 3.15Å; T207-S211 PolarHBondContact O-OG 3.25Å; H208-S211 PolarHBondContact O-N 3.43Å; Y209-S211 VanDerWaalsContact C-N 3.33Å; S211-A213 VanDerWaalsContact C-N 3.28Å; S211-A213 PolarHBondContact O-N 3.4Å; S211-S214 WeakPolarHBondContact O-CA 3.33Å; S211-S214 VanDerWaalsContact O-CB 3.26Å; S211-S214 WeakPolarHBondContact O-CB 3.33Å; S211-S214 PolarHBondContact O-N 3.47Å; S211-F215 PolarHBondContact O-N 2.82Å; S211-I472 WeakPolarHBondContact CB-O 3.46Å; S211-I472 WeakPolarHBondContact O-CG2 3.15Å; S211-I472 PolarHBondContact OG-O 2.75Å; S211-M476 WeakPolarHBondContact OG-CA 3.44Å; S211-M476 WeakPolarHBondContact OG-CB 3.3Å; S211-M476 PolarHBondContact OG-N 3.38Å
212	L	98.5	Very high	98.1	Very high	6 Å²	6	3 Å²	3	3%	0.031	2%	0.017	C	C	.	.	H	α-helix	trans	-66.4	-30.6	175.3	-165.1	61.1	0	0	0	112.2	I84 M88 F98 L133 H208 Y209 S214 F215 T216	I84-L212 HydrophobicContact CD1-CD1 4.02Å; I84-L212 HydrophobicContact CD1-CD2 4.08Å; I84-L212 HydrophobicContact CD1-CG 3.91Å; I84-L212 HydrophobicContact CG2-CD1 4.09Å; M88-L212 HydrophobicContact CE-CD1 4.1Å; F98-L212 HydrophobicContact CE2-CD1 3.8Å; F98-L212 HydrophobicContact CE2-CD2 4.42Å; F98-L212 HydrophobicContact CZ-CD1 3.85Å; F98-L212 HydrophobicContact CZ-CD2 4.05Å; L133-L212 HydrophobicContact CD1-CB 3.99Å; L133-L212 HydrophobicContact CD1-CD2 4.33Å; L133-L212 HydrophobicContact CD1-CG 4.04Å; L133-L212 HydrophobicContact CD2-CD2 3.74Å; L133-L212 HydrophobicContact CD2-CG 4.06Å; H208-L212 WeakPolarHBondContact O-CB 3.27Å; H208-L212 PolarHBondContact O-N 3.36Å; Y209-L212 HydrophobicContact CD1-CB 4.32Å; Y209-L212 HydrophobicContact CD1-CD2 3.87Å; Y209-L212 HydrophobicContact CE1-CD2 3.76Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-F215 HydrophobicContact CD1-CB 4.27Å; L212-F215 HydrophobicContact CD1-CD1 4.46Å; L212-F215 WeakPolarHBondContact O-CB 3.26Å; L212-F215 PolarHBondContact O-N 3.36Å; L212-T216 WeakPolarHBondContact O-CB 3.42Å; L212-T216 PolarHBondContact O-N 2.77Å; L212-T216 PolarHBondContact O-OG1 3.01Å
213	A	98.4	Very high	97.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.4	-43.7	170.1	0	0	0	0	0	110.6	H128 C130 L133 Y209 H210 S211 F215 T216 F217	H128-A213 HydrophobicContact CB-CB 3.79Å; C130-A213 HydrophobicContact CB-CB 3.75Å; L133-A213 HydrophobicContact CD1-CB 4.07Å; Y209-A213 WeakPolarHBondContact O-CB 3.38Å; Y209-A213 PolarHBondContact O-N 2.81Å; H210-A213 WeakPolarHBondContact O-CB 3.43Å; H210-A213 PolarHBondContact O-N 3.32Å; S211-A213 VanDerWaalsContact C-N 3.28Å; S211-A213 PolarHBondContact O-N 3.4Å; A213-F215 VanDerWaalsContact C-N 3.34Å; A213-F215 PolarHBondContact O-N 3.39Å; A213-T216 WeakPolarHBondContact O-CB 3.39Å; A213-T216 PolarHBondContact O-N 3.19Å; A213-F217 WeakPolarHBondContact O-CD2 3.22Å; A213-F217 PolarHBondContact O-N 2.57Å; A213-F217 VanDerWaalsContact O-N 3.1Å
214	S	98.4	Very high	97.3	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-57.2	-44.1	172.8	-72.2	0	0	0	0	113	H210 S211 L212 T216 F217 G218 V440 R475	H210-S214 PolarHBondContact O-N 3.33Å; S211-S214 WeakPolarHBondContact O-CA 3.33Å; S211-S214 VanDerWaalsContact O-CB 3.26Å; S211-S214 WeakPolarHBondContact O-CB 3.33Å; S211-S214 PolarHBondContact O-N 3.47Å; L212-S214 VanDerWaalsContact C-N 3.33Å; S214-T216 VanDerWaalsContact C-N 3.34Å; S214-T216 PolarHBondContact O-N 3.48Å; S214-F217 PolarHBondContact O-N 3.24Å; S214-G218 PolarHBondContact O-N 3.37Å; S214-V440 WeakPolarHBondContact CB-O 3.34Å; S214-V440 PolarHBondContact OG-O 3.22Å; S214-R475 PolarHBondContact OG-NH1 3.45Å
215	F	98.7	Very high	96.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.3	-46.7	175.3	-173.1	-103.3	0	0	0	111.5	I84 V87 M88 S211 L212 A213 F217 G218 C219 I221 V465 N468 L469 I472	I84-F215 HydrophobicContact CG2-CD1 4.12Å; I84-F215 HydrophobicContact CG2-CE1 4.04Å; V87-F215 HydrophobicContact CG1-CE1 4.4Å; V87-F215 HydrophobicContact CG1-CZ 4.04Å; M88-F215 HydrophobicContact CE-CD1 3.86Å; M88-F215 HydrophobicContact CE-CD2 4.36Å; M88-F215 HydrophobicContact CE-CE1 3.75Å; M88-F215 HydrophobicContact CE-CE2 4.26Å; M88-F215 HydrophobicContact CE-CG 4.16Å; M88-F215 HydrophobicContact CE-CZ 3.96Å; M88-F215 HydrophobicContact CG-CE1 3.84Å; M88-F215 HydrophobicContact CG-CE2 4.44Å; M88-F215 HydrophobicContact CG-CZ 3.61Å; S211-F215 PolarHBondContact O-N 2.82Å; L212-F215 HydrophobicContact CD1-CB 4.27Å; L212-F215 HydrophobicContact CD1-CD1 4.46Å; L212-F215 WeakPolarHBondContact O-CB 3.26Å; L212-F215 PolarHBondContact O-N 3.36Å; A213-F215 VanDerWaalsContact C-N 3.34Å; A213-F215 PolarHBondContact O-N 3.39Å; F215-F217 VanDerWaalsContact C-N 3.28Å; F215-F217 PolarHBondContact O-N 2.89Å; F215-G218 PolarHBondContact O-N 3.25Å; F215-C219 HydrophobicContact CE1-CB 4.48Å; F215-C219 VanDerWaalsContact CE2-SG 3.51Å; F215-C219 HydrophobicContact CZ-CB 4.42Å; F215-C219 WeakPolarHBondContact O-CB 3.3Å; F215-C219 PolarHBondContact O-N 2.8Å; F215-I221 HydrophobicContact CE1-CD1 4.47Å; F215-V465 HydrophobicContact CE2-CG1 4.28Å; F215-V465 HydrophobicContact CZ-CG1 4.29Å; F215-N468 HydrophobicContact CD2-CB 4.13Å; F215-N468 HydrophobicContact CE2-CB 4.27Å; F215-L469 HydrophobicContact CD2-CD2 3.99Å; F215-L469 HydrophobicContact CE2-CD2 3.49Å; F215-L469 VanDerWaalsContact CE2-CD2 3.49Å; F215-L469 HydrophobicContact CE2-CG 4.26Å; F215-L469 HydrophobicContact CZ-CD2 4.2Å; F215-I472 HydrophobicContact CB-CD1 3.91Å; F215-I472 HydrophobicContact CB-CG2 3.79Å; F215-I472 HydrophobicContact CD2-CD1 3.9Å; F215-I472 HydrophobicContact CG-CD1 4.12Å
216	T	98.2	Very high	95.7	Very high	7 Å²	7	14.8 Å²	14.8	4%	0.043	8%	0.077	C	C	.	.	H	α-helix	trans	-54.5	-46.4	-178.4	-55.4	0	0	0	0	111	Y132 L212 A213 S214 G220 I221	Y132-T216 HydrophobicContact CD1-CG2 3.7Å; Y132-T216 HydrophobicContact CG-CG2 3.93Å; L212-T216 WeakPolarHBondContact O-CB 3.42Å; L212-T216 PolarHBondContact O-N 2.77Å; L212-T216 PolarHBondContact O-OG1 3.01Å; A213-T216 WeakPolarHBondContact O-CB 3.39Å; A213-T216 PolarHBondContact O-N 3.19Å; S214-T216 VanDerWaalsContact C-N 3.34Å; S214-T216 PolarHBondContact O-N 3.48Å; T216-G220 PolarHBondContact O-N 2.94Å; T216-I221 HydrophobicContact CG2-CB 3.79Å; T216-I221 HydrophobicContact CG2-CG1 4.19Å; T216-I221 HydrophobicContact CG2-CG2 4.34Å; T216-I221 WeakPolarHBondContact O-CG1 3.35Å; T216-I221 PolarHBondContact O-N 2.85Å
217	F	97.9	Very high	94.8	Very high	26 Å²	26	15.3 Å²	15.3	11%	0.114	8%	0.08	C	C	.	.	H	α-helix	trans	-76.9	-42.3	178	-73.9	-73.1	0	0	0	113	F51 H128 C130 A213 S214 F215 C219 G220 P444 E445 V447	F51-F217 VanDerWaalsContact CE2-O 3.29Å; F51-F217 WeakPolarHBondContact CE2-O 3.34Å; H128-F217 WeakPolarHBondContact O-CE2 3.38Å; C130-F217 HydrophobicContact CB-CE2 3.84Å; C130-F217 HydrophobicContact CB-CZ 4.43Å; A213-F217 WeakPolarHBondContact O-CD2 3.22Å; A213-F217 PolarHBondContact O-N 2.57Å; A213-F217 VanDerWaalsContact O-N 3.1Å; S214-F217 PolarHBondContact O-N 3.24Å; F215-F217 VanDerWaalsContact C-N 3.28Å; F215-F217 PolarHBondContact O-N 2.89Å; F217-C219 VanDerWaalsContact C-N 3.29Å; F217-C219 PolarHBondContact O-N 3.38Å; F217-G220 PolarHBondContact O-N 3.29Å; F217-P444 HydrophobicContact CB-CB 3.95Å; F217-P444 WeakPolarHBondContact CB-O 3.45Å; F217-P444 HydrophobicContact CD2-CB 3.72Å; F217-P444 HydrophobicContact CD2-CG 4.28Å; F217-P444 HydrophobicContact CG-CB 4.13Å; F217-P444 WeakPolarHBondContact CG-O 3.34Å; F217-E445 HydrophobicContact CE1-CB 4.37Å; F217-E445 HydrophobicContact CE2-CB 4.33Å; F217-E445 HydrophobicContact CZ-CB 4Å; F217-V447 HydrophobicContact CB-CB 4.24Å; F217-V447 HydrophobicContact CB-CG2 4.37Å
218	G	97.8	Very high	93.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.2	-36.9	179.5	0	0	0	0	0	113.6	F51 S214 F215 Y436 Y452 N468	F51-G218 WeakPolarHBondContact CD2-O 3.35Å; F51-G218 WeakPolarHBondContact CE2-O 3.43Å; S214-G218 PolarHBondContact O-N 3.37Å; F215-G218 PolarHBondContact O-N 3.25Å; G218-Y436 PolarHBondContact O-OH 2.58Å; G218-Y452 WeakPolarHBondContact O-CD2 3.41Å; G218-N468 WeakPolarHBondContact CA-OD1 3.22Å
219	C	98	Very high	92.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	3.1	175.8	-67.5	0	0	0	0	113.7	S49 F51 V87 F215 F217 I221	S49-C219 WeakPolarHBondContact CB-O 3.42Å; S49-C219 PolarHBondContact OG-O 3.2Å; F51-C219 VanDerWaalsContact CD2-C 3.5Å; V87-C219 HydrophobicContact CG1-CB 4.03Å; F215-C219 HydrophobicContact CE1-CB 4.48Å; F215-C219 VanDerWaalsContact CE2-SG 3.51Å; F215-C219 HydrophobicContact CZ-CB 4.42Å; F215-C219 WeakPolarHBondContact O-CB 3.3Å; F215-C219 PolarHBondContact O-N 2.8Å; F217-C219 VanDerWaalsContact C-N 3.29Å; F217-C219 PolarHBondContact O-N 3.38Å; C219-I221 VanDerWaalsContact C-N 3.33Å; C219-I221 HydrophobicContact CB-CD1 3.96Å; C219-I221 HydrophobicContact CB-CG1 4.3Å; C219-I221 PolarHBondContact O-N 3.11Å
220	G	96.4	Very high	91.6	Very high	7 Å²	7	23.9 Å²	23.9	7%	0.072	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	39.2	176.2	0	0	0	0	0	113.5	S49 R50 F51 T216 F217 S222	S49-G220 WeakPolarHBondContact CA-O 3.34Å; R50-G220 PolarHBondContact N-O 3.16Å; F51-G220 VanDerWaalsContact CD2-N 3.33Å; F51-G220 VanDerWaalsContact CE2-N 3.28Å; T216-G220 PolarHBondContact O-N 2.94Å; F217-G220 PolarHBondContact O-N 3.29Å; G220-S222 PolarHBondContact O-N 3.09Å
221	I	96.4	Very high	90.9	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.036	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-56.6	132	-174.2	-59.5	-59.5	0	0	0	111.1	P48 N83 I84 V87 Y132 F215 T216 C219	P48-I221 WeakPolarHBondContact O-CA 3.43Å; N83-I221 HydrophobicContact CB-CG2 3.69Å; I84-I221 HydrophobicContact CG1-CG1 4.23Å; I84-I221 HydrophobicContact CG1-CG2 4.27Å; V87-I221 HydrophobicContact CB-CD1 3.81Å; V87-I221 HydrophobicContact CG1-CD1 4.24Å; V87-I221 HydrophobicContact CG2-CD1 3.47Å; V87-I221 VanDerWaalsContact CG2-CD1 3.47Å; Y132-I221 HydrophobicContact CD1-CG2 4.34Å; Y132-I221 HydrophobicContact CD2-CG2 4.06Å; Y132-I221 HydrophobicContact CE1-CG2 4.02Å; Y132-I221 HydrophobicContact CE2-CG2 3.71Å; Y132-I221 HydrophobicContact CG-CG2 4.36Å; F215-I221 HydrophobicContact CE1-CD1 4.47Å; T216-I221 HydrophobicContact CG2-CB 3.79Å; T216-I221 HydrophobicContact CG2-CG1 4.19Å; T216-I221 HydrophobicContact CG2-CG2 4.34Å; T216-I221 WeakPolarHBondContact O-CG1 3.35Å; T216-I221 PolarHBondContact O-N 2.85Å; C219-I221 VanDerWaalsContact C-N 3.33Å; C219-I221 HydrophobicContact CB-CD1 3.96Å; C219-I221 HydrophobicContact CB-CG1 4.3Å; C219-I221 PolarHBondContact O-N 3.11Å
222	S	93.7	Very high	90.1	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-77.2	145.6	177.7	-67.6	0	0	0	0	110.9	G47 P48 N83 Y132 G220	G47-S222 VanDerWaalsContact O-CB 3.23Å; G47-S222 WeakPolarHBondContact O-CB 3.48Å; G47-S222 PolarHBondContact O-OG 3.16Å; P48-S222 PolarHBondContact O-N 3.13Å; N83-S222 PolarHBondContact ND2-O 3.48Å; Y132-S222 WeakPolarHBondContact CD2-O 3.38Å; Y132-S222 VanDerWaalsContact CE2-O 3.24Å; Y132-S222 WeakPolarHBondContact CE2-O 3.36Å; G220-S222 PolarHBondContact O-N 3.09Å
223	P	90.9	Very high	89.3	Confident	37 Å²	37	32 Å²	32	24%	0.24	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-55.8	142.2	168.2	-21.5	34.4	0	0	0	111
224	E	89.1	Confident	88.3	Confident	12 Å²	12	41.5 Å²	41.5	6%	0.056	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-58.1	143.3	172.2	-63.7	-54.8	139.9	0	0	110.7	N83 Y132 L136 H226 C227 G230	N83-E224 WeakPolarHBondContact CB-OE1 3.45Å; N83-E224 PolarHBondContact N-OE1 3.07Å; N83-E224 PolarHBondContact ND2-OE1 3Å; Y132-E224 HydrophobicContact CE2-CG 3.93Å; Y132-E224 VanDerWaalsContact CE2-OE1 3.3Å; Y132-E224 WeakPolarHBondContact CE2-OE1 3.35Å; Y132-E224 PolarHBondContact OH-OE1 3.41Å; L136-E224 HydrophobicContact CD2-CG 3.72Å; E224-H226 VanDerWaalsContact CB-CE1 3.44Å; E224-H226 WeakPolarHBondContact CB-CE1 3.5Å; E224-H226 PolarHBondContact O-N 3.02Å; E224-H226 VanDerWaalsContact O-N 3.09Å; E224-C227 HydrophobicContact CB-CB 4.13Å; E224-C227 WeakPolarHBondContact O-CB 3.36Å; E224-C227 PolarHBondContact O-N 3.37Å; E224-G230 WeakPolarHBondContact O-CA 3.49Å
225	I	84.4	Confident	87	Confident	101 Å²	101	46.8 Å²	46.8	52%	0.518	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.3	-176.9	-169.3	170	0	0	0	112.9	P43 H231	P43-I225 HydrophobicContact CB-CD1 4.41Å; P43-I225 HydrophobicContact CG-CD1 3.89Å; I225-H231 PolarHBondContact O-ND1 3.31Å
226	H	79.5	Confident	85.4	Confident	100 Å²	100	51.5 Å²	51.5	46%	0.463	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.9	180	58.4	-86.5	0	0	0	113.6	E224	E224-H226 VanDerWaalsContact CB-CE1 3.44Å; E224-H226 WeakPolarHBondContact CB-CE1 3.5Å; E224-H226 PolarHBondContact O-N 3.02Å; E224-H226 VanDerWaalsContact O-N 3.09Å
227	C	81.6	Confident	83.6	Confident	10 Å²	10	53.5 Å²	53.5	7%	0.068	29%	0.291	C	S	.	.	S	Bend	trans	-95.4	162.8	178.2	-69.7	0	0	0	0	112	E224 G229 G230	E224-C227 HydrophobicContact CB-CB 4.13Å; E224-C227 WeakPolarHBondContact O-CB 3.36Å; E224-C227 PolarHBondContact O-N 3.37Å; C227-G229 PolarHBondContact O-N 3.23Å; C227-G230 PolarHBondContact O-N 3.02Å
228	D	72.3	Confident	81.7	Confident	136 Å²	136	59.8 Å²	59.8	73%	0.727	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	130.4	172.8	-71.9	-19.7	0	0	0	111.2	G230	D228-G230 VanDerWaalsContact C-N 3.26Å; D228-G230 PolarHBondContact O-N 3.38Å
229	G	76	Confident	79.5	Confident	44 Å²	44	63 Å²	63	45%	0.454	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-7.1	-175	0	0	0	0	0	114.9	L44 C227	L44-G229 WeakPolarHBondContact CB-O 3.45Å; L44-G229 WeakPolarHBondContact CD1-O 3.42Å; C227-G229 PolarHBondContact O-N 3.23Å
230	G	80.1	Confident	77	Confident	4 Å²	4	70.1 Å²	70.1	4%	0.041	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-26.9	172.2	0	0	0	0	0	113.7	P43 L44 E224 C227 D228	P43-G230 WeakPolarHBondContact CA-O 3.25Å; L44-G230 PolarHBondContact N-O 2.95Å; E224-G230 WeakPolarHBondContact O-CA 3.49Å; C227-G230 PolarHBondContact O-N 3.02Å; D228-G230 VanDerWaalsContact C-N 3.26Å; D228-G230 PolarHBondContact O-N 3.38Å
231	H	83.2	Confident	74.4	Confident	48 Å²	48	77.8 Å²	77.8	22%	0.222	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	165	-179.5	67.8	-82.3	0	0	0	113.7	P41 R42 L44 I225 F233	P41-H231 HydrophobicContact CB-CB 4.05Å; R42-H231 CarbonylContact O-C 3.47Å; R42-H231 WeakPolarHBondContact O-CA 3.41Å; L44-H231 WeakPolarHBondContact CD1-O 3.13Å; I225-H231 PolarHBondContact O-ND1 3.31Å; H231-F233 AromaticContact CD2-CE2 3.6Å; H231-F233 AromaticContact NE2-CE2 3.47Å; H231-F233 WeakPolarHBondContact NE2-CE2 3.21Å; H231-F233 AromaticContact NE2-CZ 3.99Å
232	T	81.9	Confident	72.1	Confident	23 Å²	23	79 Å²	79	14%	0.141	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.9	171.5	-169	0	0	0	0	111.3	R42 L44 R234	R42-T232 HydrophobicContact CB-CG2 4.23Å; R42-T232 PolarHBondContact N-O 3.5Å; R42-T232 PolarHBondContact O-N 2.89Å; L44-T232 HydrophobicContact CD2-CG2 3.61Å; L44-T232 HydrophobicContact CG-CG2 4.16Å; T232-R234 VanDerWaalsContact C-N 3.34Å; T232-R234 WeakPolarHBondContact OG1-CB 3.35Å; T232-R234 PolarHBondContact OG1-N 3.37Å; T232-R234 VanDerWaalsContact OG1-N 3.16Å
233	F	83.2	Confident	69.7	Low	108 Å²	108	85.6 Å²	85.6	47%	0.474	46%	0.461	S	S	.	.			trans	-91.6	2.4	168.2	-62.9	-82.3	0	0	0	112.4	R39 P41 H231	R39-F233 HydrophobicContact CB-CD1 3.76Å; R39-F233 HydrophobicContact CB-CE1 4.4Å; R39-F233 WeakPolarHBondContact O-CE1 3.34Å; P41-F233 HydrophobicContact CB-CD1 4.16Å; P41-F233 HydrophobicContact CB-CE1 3.77Å; P41-F233 HydrophobicContact CB-CZ 4.05Å; P41-F233 HydrophobicContact CG-CE1 4.17Å; H231-F233 AromaticContact CD2-CE2 3.6Å; H231-F233 AromaticContact NE2-CE2 3.47Å; H231-F233 WeakPolarHBondContact NE2-CE2 3.21Å; H231-F233 AromaticContact NE2-CZ 3.99Å
234	R	76.8	Confident	67.6	Low	199 Å²	199	85.5 Å²	85.5	75%	0.751	46%	0.461	S	S	*	.	S	Bend	trans	-71	133.4	176.5	-67.6	-176.3	-178.6	167.9	1.9	109.3	T232	T232-R234 VanDerWaalsContact C-N 3.34Å; T232-R234 WeakPolarHBondContact OG1-CB 3.35Å; T232-R234 PolarHBondContact OG1-N 3.37Å; T232-R234 VanDerWaalsContact OG1-N 3.16Å
235	P	70.5	Confident	65.4	Low	111 Å²	111	88 Å²	88	72%	0.721	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-60.5	150.2	173.5	24.5	-31.2	0	0	0	110.1	S237	P235-S237 PolarHBondContact O-N 3.03Å
236	P	65.6	Low	63.3	Low	98 Å²	98	89.1 Å²	89.1	64%	0.636	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-53.5	132.1	171.7	-20	30.5	0	0	0	109.6	V238	P236-V238 PolarHBondContact O-N 3.44Å
237	S	61	Low	61.5	Low	50 Å²	50	89.6 Å²	89.6	35%	0.35	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-62.1	138.1	172.8	49	0	0	0	0	109.4	P235 S239 Y241 C242	P235-S237 PolarHBondContact O-N 3.03Å; S237-S239 CarbonylContact C-O 3.32Å; S237-S239 VanDerWaalsContact C-O 3.32Å; S237-S239 VanDerWaalsContact CB-O 3.31Å; S237-S239 WeakPolarHBondContact CB-O 3.24Å; S237-S239 CarbonylContact O-C 3.47Å; S237-S239 PolarHBondContact O-N 3.37Å; S237-S239 PolarHBondContact OG-O 2.5Å; S237-Y241 PolarHBondContact OG-O 2.8Å; S237-C242 PolarHBondContact OG-N 3.47Å
238	V	56.7	Low	59.5	Low	158 Å²	158	91.4 Å²	91.4	96%	0.958	50%	0.5	S	S	*	.	S	Bend	trans	-67.1	-23.6	179.4	-161.2	0	0	0	0	111.3	P236	P236-V238 PolarHBondContact O-N 3.44Å
239	S	52	Low	57.7	Low	66 Å²	66	87.3 Å²	87.3	46%	0.462	49%	0.49	S	S	.	.	S	Bend	trans	-80.6	132.2	158.6	53.4	0	0	0	0	108.3	S237 Y241	S237-S239 CarbonylContact C-O 3.32Å; S237-S239 VanDerWaalsContact C-O 3.32Å; S237-S239 VanDerWaalsContact CB-O 3.31Å; S237-S239 WeakPolarHBondContact CB-O 3.24Å; S237-S239 CarbonylContact O-C 3.47Å; S237-S239 PolarHBondContact O-N 3.37Å; S237-S239 PolarHBondContact OG-O 2.5Å; S239-Y241 PolarHBondContact O-N 3.16Å
240	N	45.8	Very low	55.7	Low	151 Å²	151	87.7 Å²	87.7	81%	0.807	48%	0.482	S	S	*	.	S	Bend	trans	-59.1	21.6	169.3	-79.3	-8.6	0	0	0	114.4
241	Y	42.6	Very low	53.4	Low	168 Å²	168	95.5 Å²	95.5	66%	0.659	52%	0.517	S	S	*	.			trans	-121.4	90.4	177	-64.7	-80.8	0	0	0	107.9	S237 S239	S237-Y241 PolarHBondContact OG-O 2.8Å; S239-Y241 PolarHBondContact O-N 3.16Å
242	C	46.6	Very low	51.1	Low	33 Å²	33	97.6 Å²	97.6	22%	0.223	54%	0.537	C	S	.	.			trans	-78.3	135	154.7	-177.1	0	0	0	0	107.2	S237 C244 D245	S237-C242 PolarHBondContact OG-N 3.47Å; C242-C244 HydrophobicContact CB-CB 4.35Å; C242-C244 WeakPolarHBondContact CB-SG 3.18Å; C242-C244 PolarHBondContact O-N 3.23Å; C242-C244 WeakPolarHBondContact SG-CB 3.46Å; C242-C244 PolarHBondContact SG-N 2.92Å; C242-C244 CovalentContact SG-SG 2.06Å; C242-C244 PolarHBondContact SG-SG 3.07Å; C242-D245 VanDerWaalsContact CB-OD2 3.26Å; C242-D245 WeakPolarHBondContact CB-OD2 3.44Å; C242-D245 PolarHBondContact N-OD2 3.46Å; C242-D245 WeakPolarHBondContact O-CB 3.48Å; C242-D245 PolarHBondContact O-N 3.04Å
243	I	44.4	Very low	48.9	Very low	140 Å²	140	102.4 Å²	102.4	72%	0.718	57%	0.566	S	S	*	*	H	α-helix	trans	-55.4	-24.8	169.9	-70.2	166.1	0	0	0	111.4	D245 I246	I243-D245 VanDerWaalsContact C-N 3.33Å; I243-I246 WeakPolarHBondContact O-CB 3.21Å; I243-I246 PolarHBondContact O-N 3.35Å
244	C	46.9	Very low	46.7	Very low	35 Å²	35	104.5 Å²	104.5	24%	0.236	58%	0.582	C	S	.	*	H	α-helix	trans	-67.7	-27.5	173.2	61.5	0	0	0	0	114.2	C242 T247 N248	C242-C244 HydrophobicContact CB-CB 4.35Å; C242-C244 WeakPolarHBondContact CB-SG 3.18Å; C242-C244 PolarHBondContact O-N 3.23Å; C242-C244 WeakPolarHBondContact SG-CB 3.46Å; C242-C244 PolarHBondContact SG-N 2.92Å; C242-C244 CovalentContact SG-SG 2.06Å; C242-C244 PolarHBondContact SG-SG 3.07Å; C244-T247 PolarHBondContact O-OG1 3.32Å; C244-N248 PolarHBondContact O-N 3.32Å
245	D	41.9	Very low	44.7	Very low	64 Å²	64	104 Å²	104	34%	0.342	59%	0.588	S	S	.	*	H	α-helix	trans	-73.1	-32.5	176.3	-58.5	-34.7	0	0	0	110.7	C242 I243 T247 N248 G249	C242-D245 VanDerWaalsContact CB-OD2 3.26Å; C242-D245 WeakPolarHBondContact CB-OD2 3.44Å; C242-D245 PolarHBondContact N-OD2 3.46Å; C242-D245 WeakPolarHBondContact O-CB 3.48Å; C242-D245 PolarHBondContact O-N 3.04Å; I243-D245 VanDerWaalsContact C-N 3.33Å; D245-T247 VanDerWaalsContact C-N 3.33Å; D245-T247 PolarHBondContact O-N 3.29Å; D245-N248 PolarHBondContact O-N 3.11Å; D245-G249 PolarHBondContact O-N 3.25Å
246	I	41.9	Very low	42.9	Very low	125 Å²	125	106.6 Å²	106.6	64%	0.641	59%	0.593	S	S	*	*	H	α-helix	trans	-63.5	-39.8	177.1	-54.9	176.8	0	0	0	110.8	I243	I243-I246 WeakPolarHBondContact O-CB 3.21Å; I243-I246 PolarHBondContact O-N 3.35Å
247	T	40.2	Very low	41.5	Very low	111 Å²	111	106.6 Å²	106.6	68%	0.681	59%	0.593	S	S	*	*	H	α-helix	trans	-79.6	-19.7	-179.4	52.1	0	0	0	0	114	C244 D245	C244-T247 PolarHBondContact O-OG1 3.32Å; D245-T247 VanDerWaalsContact C-N 3.33Å; D245-T247 PolarHBondContact O-N 3.29Å
248	N	41	Very low	40.2	Very low	47 Å²	47	111.2 Å²	111.2	25%	0.251	62%	0.618	S	S	.	*	H	α-helix	trans	-103.7	4.6	-177.1	-91.2	-13.8	0	0	0	114.4	R50 C244 D245 N250	R50-N248 PolarHBondContact NH1-OD1 3.45Å; C244-N248 PolarHBondContact O-N 3.32Å; D245-N248 PolarHBondContact O-N 3.11Å; N248-N250 PolarHBondContact O-N 3.48Å
249	G	32.9	Very low	39	Very low	51 Å²	51	110.5 Å²	110.5	53%	0.526	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	61.8	20.7	167.4	0	0	0	0	0	115.6	D245 H251	D245-G249 PolarHBondContact O-N 3.25Å; G249-H251 PolarHBondContact O-N 3.16Å
250	N	34.7	Very low	38.7	Very low	52 Å²	52	112.6 Å²	112.6	28%	0.278	62%	0.624	S	S	.	*			trans	-92.2	82	178.3	-83.1	-1.1	0	0	0	110.3	N248	N248-N250 PolarHBondContact O-N 3.48Å
251	H	32.4	Very low	38.6	Very low	168 Å²	168	109.6 Å²	109.6	78%	0.778	62%	0.62	S	S	*	*			trans	-88.7	94.7	156.8	-108.5	-70.9	0	0	0	108.3	G249 V253	G249-H251 PolarHBondContact O-N 3.16Å; H251-V253 PolarHBondContact O-N 2.7Å
252	S	34.3	Very low	38.5	Very low	92 Å²	92	110.2 Å²	110.2	64%	0.643	63%	0.629	S	S	*	*			trans	-73.3	117.6	154.1	51.5	0	0	0	0	107.4	D254	S252-D254 PolarHBondContact O-N 3.15Å
253	V	36.1	Very low	38.1	Very low	124 Å²	124	116.3 Å²	116.3	75%	0.752	66%	0.66	S	S	*	*			trans	-58.4	115.5	-179.9	-168.2	0	0	0	0	109.3	H251	H251-V253 PolarHBondContact O-N 2.7Å
254	D	36.9	Very low	38.2	Very low	152 Å²	152	115.6 Å²	115.6	81%	0.813	66%	0.661	S	S	*	*			trans	-75.7	123.2	152.5	-125.7	-13.3	0	0	0	105.6	S252 M256	S252-D254 PolarHBondContact O-N 3.15Å; D254-M256 PolarHBondContact O-N 3.22Å
255	E	34.3	Very low	38.4	Very low	187 Å²	187	115.5 Å²	115.5	87%	0.874	66%	0.661	S	S	*	*			trans	-53	94.5	-175.1	-64.2	178.3	157.1	0	0	111.6
256	M	32.8	Very low	39	Very low	166 Å²	166	117.2 Å²	117.2	82%	0.818	67%	0.674	S	S	*	*			trans	-104	133.6	156.9	-78.3	-131.5	108.2	0	0	108.3	D254 V258	D254-M256 PolarHBondContact O-N 3.22Å; M256-V258 PolarHBondContact O-N 3.01Å
257	P	35.8	Very low	39.9	Very low	98 Å²	98	114.4 Å²	114.4	64%	0.636	67%	0.665	S	S	*	*			trans	-64.9	136	-166.9	27.2	-32.7	0	0	0	109.3	N259	P257-N259 VanDerWaalsContact C-N 3.31Å; P257-N259 PolarHBondContact O-N 2.84Å
258	V	33.6	Very low	41.2	Very low	147 Å²	147	113.4 Å²	113.4	89%	0.891	66%	0.655	S	S	*	*			trans	-49.4	90.4	-178.4	-161.4	0	0	0	0	109.8	M256 S260	M256-V258 PolarHBondContact O-N 3.01Å; V258-S260 VanDerWaalsContact C-N 3.31Å; V258-S260 PolarHBondContact O-N 3.34Å
259	N	32.7	Very low	42.5	Very low	144 Å²	144	111.7 Å²	111.7	77%	0.77	65%	0.648	S	S	*	*			trans	-75.7	95	169.6	-83	-27.3	0	0	0	106.6	P257 A261	P257-N259 VanDerWaalsContact C-N 3.31Å; P257-N259 PolarHBondContact O-N 2.84Å; N259-A261 PolarHBondContact O-N 3.42Å
260	S	45.4	Very low	44.6	Very low	110 Å²	110	112.9 Å²	112.9	77%	0.769	64%	0.638	S	S	*	*	S	Bend	trans	-20.1	94	158.4	48.9	0	0	0	0	114.5	V258	V258-S260 VanDerWaalsContact C-N 3.31Å; V258-S260 PolarHBondContact O-N 3.34Å
261	A	43.7	Very low	47	Very low	88 Å²	88	116.1 Å²	116.1	73%	0.727	65%	0.65	S	S	*	*			trans	-162.3	0.1	160.9	0	0	0	0	0	115.7	N259	N259-A261 PolarHBondContact O-N 3.42Å
262	E	40.4	Very low	49.6	Very low	181 Å²	181	113.2 Å²	113.2	85%	0.846	64%	0.637	S	S	*	*			trans	-111.2	53.7	169.4	-72.8	-174.5	170.4	0	0	111	V264	E262-V264 PolarHBondContact O-N 2.97Å
263	N	38.7	Very low	52.3	Low	161 Å²	161	109.1 Å²	109.1	86%	0.861	61%	0.608	S	S	*	*			trans	-75	37.1	156.5	-82.3	-11.3	0	0	0	110.7	S265	N263-S265 PolarHBondContact O-N 3.19Å
264	V	45	Very low	54.9	Low	124 Å²	124	107.8 Å²	107.8	75%	0.752	59%	0.593	S	S	*	*	S	Bend	trans	-74.8	77.2	162.5	-174.8	0	0	0	0	106.2	E262 V266	E262-V264 PolarHBondContact O-N 2.97Å; V264-V266 PolarHBondContact O-N 3.3Å
265	S	51.7	Low	57.6	Low	34 Å²	34	102.9 Å²	102.9	24%	0.238	57%	0.574	C	S	.	*			trans	38.2	71.7	155.6	61.4	0	0	0	0	117.3	N263 S267 D268 S269	N263-S265 PolarHBondContact O-N 3.19Å; S265-S267 PolarHBondContact O-N 3.31Å; S265-S267 VanDerWaalsContact O-N 3.14Å; S265-D268 WeakPolarHBondContact CB-OD2 3.29Å; S265-D268 PolarHBondContact O-N 2.86Å; S265-D268 VanDerWaalsContact OG-CB 3.26Å; S265-D268 WeakPolarHBondContact OG-CB 3.21Å; S265-D268 PolarHBondContact OG-OD2 2.82Å; S265-S269 PolarHBondContact O-N 3.45Å
266	V	54.6	Low	60.4	Low	99 Å²	99	94.7 Å²	94.7	60%	0.6	54%	0.536	S	S	*	.	H	α-helix	trans	-42.9	-42.3	149.7	174.2	0	0	0	0	109.5	V264 D268 S269 F270	V264-V266 PolarHBondContact O-N 3.3Å; V266-D268 PolarHBondContact O-N 3.01Å; V266-S269 PolarHBondContact O-N 3.15Å; V266-S269 PolarHBondContact O-OG 3.38Å; V266-F270 HydrophobicContact CG1-CD2 3.83Å; V266-F270 HydrophobicContact CG1-CE2 3.5Å; V266-F270 WeakPolarHBondContact O-CD2 3.33Å; V266-F270 PolarHBondContact O-N 3.47Å
267	S	61.3	Low	63.3	Low	66 Å²	66	88.6 Å²	88.6	46%	0.462	51%	0.506	S	S	.	.	H	α-helix	trans	-54.2	-41.6	174.1	-162.2	0	0	0	0	114.8	S265 F270 F271	S265-S267 PolarHBondContact O-N 3.31Å; S265-S267 VanDerWaalsContact O-N 3.14Å; S267-F270 PolarHBondContact O-N 2.78Å; S267-F271 WeakPolarHBondContact O-CD2 3.36Å; S267-F271 WeakPolarHBondContact O-CE2 3.48Å; S267-F271 PolarHBondContact O-N 3.33Å; S267-F271 WeakPolarHBondContact OG-CE2 3.48Å
268	D	67.7	Low	66.1	Low	90 Å²	90	87.3 Å²	87.3	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-69.2	-39.8	-175.8	-70.7	-10.5	0	0	0	110.7	S265 V266 F270 F271 E272	S265-D268 WeakPolarHBondContact CB-OD2 3.29Å; S265-D268 PolarHBondContact O-N 2.86Å; S265-D268 VanDerWaalsContact OG-CB 3.26Å; S265-D268 WeakPolarHBondContact OG-CB 3.21Å; S265-D268 PolarHBondContact OG-OD2 2.82Å; V266-D268 PolarHBondContact O-N 3.01Å; D268-F270 VanDerWaalsContact C-N 3.31Å; D268-F270 PolarHBondContact O-N 3.01Å; D268-F271 WeakPolarHBondContact O-CB 2.88Å; D268-F271 PolarHBondContact O-N 3.41Å; D268-F271 VanDerWaalsContact O-N 3.16Å; D268-E272 PolarHBondContact O-N 3.4Å; D268-E272 VanDerWaalsContact O-N 3.11Å
269	S	67.7	Low	69	Low	12 Å²	12	84.1 Å²	84.1	8%	0.084	47%	0.466	C	S	.	.	H	α-helix	trans	-69.1	-26.7	177.6	66.2	0	0	0	0	114	S265 V266 E272 Q458	S265-S269 PolarHBondContact O-N 3.45Å; V266-S269 PolarHBondContact O-N 3.15Å; V266-S269 PolarHBondContact O-OG 3.38Å; S269-E272 PolarHBondContact O-N 3.32Å; S269-Q458 PolarHBondContact OG-NE2 2.92Å
270	F	77.3	Confident	71.9	Confident	76 Å²	76	77.8 Å²	77.8	33%	0.333	43%	0.432	S	S	.	.	H	α-helix	trans	-66.6	-43.4	169.7	-86.2	-78	0	0	0	110.7	V266 S267 D268 E272 V273 E274 M392	V266-F270 HydrophobicContact CG1-CD2 3.83Å; V266-F270 HydrophobicContact CG1-CE2 3.5Å; V266-F270 WeakPolarHBondContact O-CD2 3.33Å; V266-F270 PolarHBondContact O-N 3.47Å; S267-F270 PolarHBondContact O-N 2.78Å; D268-F270 VanDerWaalsContact C-N 3.31Å; D268-F270 PolarHBondContact O-N 3.01Å; F270-E272 PolarHBondContact O-N 3.25Å; F270-V273 PolarHBondContact O-N 3.37Å; F270-E274 PolarHBondContact O-N 3.22Å; F270-M392 HydrophobicContact CD1-CE 3.54Å; F270-M392 HydrophobicContact CD1-SD 3.9Å; F270-M392 HydrophobicContact CE1-CE 3.95Å; F270-M392 HydrophobicContact CE1-CG 4.18Å; F270-M392 HydrophobicContact CE1-SD 3.66Å
271	F	83.7	Confident	74.2	Confident	120 Å²	120	78 Å²	78	53%	0.526	42%	0.416	S	S	.	.	H	α-helix	trans	-63.6	-28.7	176.7	-67	-59.9	0	0	0	112.9	S267 D268 A275	S267-F271 WeakPolarHBondContact O-CD2 3.36Å; S267-F271 WeakPolarHBondContact O-CE2 3.48Å; S267-F271 PolarHBondContact O-N 3.33Å; S267-F271 WeakPolarHBondContact OG-CE2 3.48Å; D268-F271 WeakPolarHBondContact O-CB 2.88Å; D268-F271 PolarHBondContact O-N 3.41Å; D268-F271 VanDerWaalsContact O-N 3.16Å; F271-A275 WeakPolarHBondContact O-CB 3.38Å; F271-A275 PolarHBondContact O-N 2.76Å
272	E	87.7	Confident	76.5	Confident	106 Å²	106	78.2 Å²	78.2	50%	0.495	40%	0.402	S	S	.	.	H	α-helix	trans	-62.9	-44.8	175.8	-71.3	173.9	-179.4	0	0	112.8	D268 S269 F270 A275 L276	D268-E272 PolarHBondContact O-N 3.4Å; D268-E272 VanDerWaalsContact O-N 3.11Å; S269-E272 PolarHBondContact O-N 3.32Å; F270-E272 PolarHBondContact O-N 3.25Å; E272-A275 PolarHBondContact O-N 3.45Å; E272-L276 WeakPolarHBondContact O-CB 3.44Å; E272-L276 PolarHBondContact O-N 2.62Å
273	V	90.3	Very high	79	Confident	7 Å²	7	71.2 Å²	71.2	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-69.2	-43.4	179.7	-179.6	0	0	0	0	110.7	F270 A275 L276 M277 M390 A391 M392 Q458 F459	F270-V273 PolarHBondContact O-N 3.37Å; V273-A275 VanDerWaalsContact C-N 3.35Å; V273-A275 PolarHBondContact O-N 3.46Å; V273-L276 WeakPolarHBondContact O-CB 3.47Å; V273-L276 PolarHBondContact O-N 2.92Å; V273-M277 HydrophobicContact CG1-SD 4.3Å; V273-M277 WeakPolarHBondContact O-CG 3.33Å; V273-M277 PolarHBondContact O-N 2.94Å; V273-M390 HydrophobicContact CG1-CG 4.02Å; V273-M390 HydrophobicContact CG1-SD 4.11Å; V273-A391 HydrophobicContact CG1-CB 4.38Å; V273-A391 HydrophobicContact CG2-CB 4.41Å; V273-M392 HydrophobicContact CB-CE 3.81Å; V273-M392 HydrophobicContact CG1-CE 3.92Å; V273-M392 HydrophobicContact CG2-CE 4.25Å; V273-Q458 HydrophobicContact CG2-CB 4.14Å; V273-Q458 HydrophobicContact CG2-CG 4.49Å; V273-F459 HydrophobicContact CG2-CE2 4.27Å
274	E	92	Very high	81.4	Confident	95 Å²	95	68.1 Å²	68.1	44%	0.444	35%	0.35	S	S	.	.	H	α-helix	trans	-63.9	-40.3	176.5	-68.9	-177	165.7	0	0	111.8	F270 L276 M277 E278	F270-E274 PolarHBondContact O-N 3.22Å; E274-L276 VanDerWaalsContact C-N 3.34Å; E274-L276 PolarHBondContact O-N 3.22Å; E274-M277 PolarHBondContact O-N 3.45Å; E274-E278 WeakPolarHBondContact O-CB 3.4Å; E274-E278 PolarHBondContact O-N 2.9Å
275	A	92.5	Very high	83.6	Confident	50 Å²	50	67.4 Å²	67.4	41%	0.413	34%	0.339	S	S	.	.	H	α-helix	trans	-64.7	-37.3	174.9	0	0	0	0	0	112.1	F271 E272 V273 E278 K279	F271-A275 WeakPolarHBondContact O-CB 3.38Å; F271-A275 PolarHBondContact O-N 2.76Å; E272-A275 PolarHBondContact O-N 3.45Å; V273-A275 VanDerWaalsContact C-N 3.35Å; V273-A275 PolarHBondContact O-N 3.46Å; A275-E278 PolarHBondContact O-N 3.37Å; A275-K279 WeakPolarHBondContact O-CB 3.32Å; A275-K279 VanDerWaalsContact O-CG 3.3Å; A275-K279 WeakPolarHBondContact O-CG 3.24Å; A275-K279 PolarHBondContact O-N 2.85Å
276	L	93.7	Very high	85.3	Confident	14 Å²	14	69.3 Å²	69.3	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-46.4	173.4	178	60.8	0	0	0	111.2	E272 V273 E274 E278 K279 M280 M390 L401 L428 W456	E272-L276 WeakPolarHBondContact O-CB 3.44Å; E272-L276 PolarHBondContact O-N 2.62Å; V273-L276 WeakPolarHBondContact O-CB 3.47Å; V273-L276 PolarHBondContact O-N 2.92Å; E274-L276 VanDerWaalsContact C-N 3.34Å; E274-L276 PolarHBondContact O-N 3.22Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 3.49Å; L276-K279 PolarHBondContact O-N 3.25Å; L276-M280 HydrophobicContact CG-SD 4.27Å; L276-M280 WeakPolarHBondContact O-CG 3.48Å; L276-M280 PolarHBondContact O-N 3.13Å; L276-M390 HydrophobicContact CD2-CE 4.39Å; L276-M390 HydrophobicContact CD2-SD 4.03Å; L276-M390 HydrophobicContact CG-SD 4.48Å; L276-L401 HydrophobicContact CD1-CD1 4.42Å; L276-L401 HydrophobicContact CD2-CD1 4.48Å; L276-L401 HydrophobicContact CD2-CD2 4.11Å; L276-L428 HydrophobicContact CD1-CB 4.41Å; L276-L428 HydrophobicContact CD1-CD2 3.86Å; L276-L428 WeakPolarHBondContact CD1-O 3.42Å; L276-W456 HydrophobicContact CD2-CZ2 4.39Å
277	M	93.7	Very high	86.7	Confident	38 Å²	38	70.1 Å²	70.1	19%	0.187	34%	0.343	C	S	.	.	H	α-helix	trans	-62.7	-39.2	177.2	-70	175.4	60.9	0	0	112.3	V273 E274 M280 R281 M390 H393 V396	V273-M277 HydrophobicContact CG1-SD 4.3Å; V273-M277 WeakPolarHBondContact O-CG 3.33Å; V273-M277 PolarHBondContact O-N 2.94Å; E274-M277 PolarHBondContact O-N 3.45Å; M277-M280 PolarHBondContact O-N 2.96Å; M277-R281 PolarHBondContact O-N 2.93Å; M277-R281 VanDerWaalsContact O-N 3.1Å; M277-M390 HydrophobicContact CG-SD 3.82Å; M277-H393 HydrophobicContact CE-CB 4.06Å; M277-H393 HydrophobicContact SD-CB 3.96Å; M277-H393 PolarHBondContact SD-CD2 3.24Å; M277-V396 HydrophobicContact CE-CG1 4.2Å; M277-V396 HydrophobicContact CE-CG2 3.51Å; M277-V396 HydrophobicContact CG-CG1 4.38Å; M277-V396 HydrophobicContact SD-CG2 4.21Å
278	E	94.1	Very high	87.8	Confident	72 Å²	72	73.2 Å²	73.2	34%	0.336	36%	0.355	S	S	.	.	H	α-helix	trans	-63.8	-44.3	174.2	178.5	59	-158.1	0	0	111.5	E274 A275 L276 M280 R281 Q282	E274-E278 WeakPolarHBondContact O-CB 3.4Å; E274-E278 PolarHBondContact O-N 2.9Å; A275-E278 PolarHBondContact O-N 3.37Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 3.49Å; E278-M280 VanDerWaalsContact C-N 3.33Å; E278-M280 PolarHBondContact O-N 2.78Å; E278-R281 PolarHBondContact O-N 3.14Å; E278-R281 IonicContact OE2-CZ 3.84Å; E278-R281 IonicContact OE2-NE 2.87Å; E278-R281 PolarHBondContact OE2-NE 3.06Å; E278-R281 IonicContact OE2-NH2 2.64Å; E278-R281 PolarHBondContact OE2-NH2 2.88Å; E278-Q282 WeakPolarHBondContact O-CG 3.27Å; E278-Q282 PolarHBondContact O-N 3.22Å; E278-Q282 PolarHBondContact OE1-NE2 3.39Å
279	K	94.6	Very high	88.7	Confident	79 Å²	79	77 Å²	77	34%	0.343	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-40.4	174.6	-75.4	176.7	175.3	-177.5	0	112.5	A275 L276 Q282 L283 Q427	A275-K279 WeakPolarHBondContact O-CB 3.32Å; A275-K279 VanDerWaalsContact O-CG 3.3Å; A275-K279 WeakPolarHBondContact O-CG 3.24Å; A275-K279 PolarHBondContact O-N 2.85Å; L276-K279 PolarHBondContact O-N 3.25Å; K279-Q282 PolarHBondContact O-N 3.08Å; K279-L283 WeakPolarHBondContact O-CB 3.35Å; K279-L283 VanDerWaalsContact O-CG 3.27Å; K279-L283 WeakPolarHBondContact O-CG 3.44Å; K279-L283 PolarHBondContact O-N 2.93Å; K279-Q427 WeakPolarHBondContact CD-O 3.3Å; K279-Q427 PolarHBondContact NZ-O 3.14Å
280	M	94.9	Very high	89.5	Confident	11 Å²	11	84.5 Å²	84.5	5%	0.054	40%	0.403	C	S	.	.	H	α-helix	trans	-61.2	-45.2	176.7	-71.5	170.9	64.2	0	0	111.3	L276 M277 E278 L283 Q284 M390 D397 M400 L401 L428	L276-M280 HydrophobicContact CG-SD 4.27Å; L276-M280 WeakPolarHBondContact O-CG 3.48Å; L276-M280 PolarHBondContact O-N 3.13Å; M277-M280 PolarHBondContact O-N 2.96Å; E278-M280 VanDerWaalsContact C-N 3.33Å; E278-M280 PolarHBondContact O-N 2.78Å; M280-L283 PolarHBondContact O-N 3.1Å; M280-Q284 WeakPolarHBondContact O-CB 3.46Å; M280-Q284 PolarHBondContact O-N 3.27Å; M280-M390 HydrophobicContact CE-CE 4.33Å; M280-M390 HydrophobicContact SD-CE 3.82Å; M280-D397 WeakPolarHBondContact CE-O 3.49Å; M280-M400 HydrophobicContact CE-CB 4.38Å; M280-L401 HydrophobicContact CE-CB 4.21Å; M280-L401 HydrophobicContact SD-CB 4.29Å; M280-L428 HydrophobicContact CG-CD2 3.46Å; M280-L428 VanDerWaalsContact CG-CD2 3.46Å
281	R	92.2	Very high	89.9	Confident	116 Å²	116	87.4 Å²	87.4	44%	0.438	42%	0.418	S	S	.	.	H	α-helix	trans	-60.1	-49.3	174.6	167.7	174.5	35.3	-103.4	-2.4	111.9	M277 E278 L283 Q284 E285	M277-R281 PolarHBondContact O-N 2.93Å; M277-R281 VanDerWaalsContact O-N 3.1Å; E278-R281 PolarHBondContact O-N 3.14Å; E278-R281 IonicContact OE2-CZ 3.84Å; E278-R281 IonicContact OE2-NE 2.87Å; E278-R281 PolarHBondContact OE2-NE 3.06Å; E278-R281 IonicContact OE2-NH2 2.64Å; E278-R281 PolarHBondContact OE2-NH2 2.88Å; R281-L283 PolarHBondContact O-N 3.36Å; R281-Q284 WeakPolarHBondContact O-CB 3.17Å; R281-Q284 PolarHBondContact O-N 2.87Å; R281-E285 WeakPolarHBondContact CG-OE1 3.24Å; R281-E285 WeakPolarHBondContact O-CG 3.49Å; R281-E285 PolarHBondContact O-N 3.28Å
282	Q	92.8	Very high	90.1	Very high	92 Å²	92	82.6 Å²	82.6	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-61.4	-42.5	-179.8	-72.1	175.4	3.9	0	0	112.4	E278 K279 Q284 E285 C286	E278-Q282 WeakPolarHBondContact O-CG 3.27Å; E278-Q282 PolarHBondContact O-N 3.22Å; E278-Q282 PolarHBondContact OE1-NE2 3.39Å; K279-Q282 PolarHBondContact O-N 3.08Å; Q282-Q284 VanDerWaalsContact C-N 3.3Å; Q282-Q284 PolarHBondContact O-N 3.42Å; Q282-E285 PolarHBondContact O-N 2.98Å; Q282-C286 WeakPolarHBondContact O-CB 3.46Å; Q282-C286 PolarHBondContact O-N 3.02Å; Q282-C286 PolarHBondContact O-SG 3.02Å
283	L	92.1	Very high	90.3	Very high	34 Å²	34	80.6 Å²	80.6	18%	0.178	40%	0.399	C	S	.	.	H	α-helix	trans	-64.9	-37.2	177.5	-73	170.4	0	0	0	111.9	K279 M280 R281 R287 M400 E424 Q427 L428	K279-L283 WeakPolarHBondContact O-CB 3.35Å; K279-L283 VanDerWaalsContact O-CG 3.27Å; K279-L283 WeakPolarHBondContact O-CG 3.44Å; K279-L283 PolarHBondContact O-N 2.93Å; M280-L283 PolarHBondContact O-N 3.1Å; R281-L283 PolarHBondContact O-N 3.36Å; L283-R287 VanDerWaalsContact O-CB 3.29Å; L283-R287 WeakPolarHBondContact O-CB 3.45Å; L283-R287 PolarHBondContact O-N 2.96Å; L283-M400 HydrophobicContact CB-CE 3.49Å; L283-M400 VanDerWaalsContact CB-CE 3.49Å; L283-M400 HydrophobicContact CD1-CE 4.32Å; L283-E424 HydrophobicContact CD1-CB 4.45Å; L283-E424 HydrophobicContact CD1-CG 4.41Å; L283-E424 HydrophobicContact CD2-CG 4.48Å; L283-Q427 HydrophobicContact CD1-CB 3.95Å; L283-Q427 HydrophobicContact CD2-CG 4.39Å; L283-L428 HydrophobicContact CD1-CD1 4.13Å; L283-L428 HydrophobicContact CD1-CD2 3.87Å; L283-L428 HydrophobicContact CD1-CG 3.84Å
284	Q	90.1	Very high	90.4	Very high	95 Å²	95	87.3 Å²	87.3	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-46	175.8	-171.7	164.2	-6	0	0	111.6	M280 R281 Q282 R287 D288 M400	M280-Q284 WeakPolarHBondContact O-CB 3.46Å; M280-Q284 PolarHBondContact O-N 3.27Å; R281-Q284 WeakPolarHBondContact O-CB 3.17Å; R281-Q284 PolarHBondContact O-N 2.87Å; Q282-Q284 VanDerWaalsContact C-N 3.3Å; Q282-Q284 PolarHBondContact O-N 3.42Å; Q284-R287 PolarHBondContact O-N 3.11Å; Q284-D288 PolarHBondContact O-N 3.12Å; Q284-M400 HydrophobicContact CB-SD 3.93Å
285	E	90.5	Very high	90.5	Very high	109 Å²	109	90.8 Å²	90.8	51%	0.509	45%	0.445	S	S	.	.	H	α-helix	trans	-62.1	-47.2	176.2	-70.3	171.4	-175.2	0	0	111.8	R281 Q282 R287 D288 E289	R281-E285 WeakPolarHBondContact CG-OE1 3.24Å; R281-E285 WeakPolarHBondContact O-CG 3.49Å; R281-E285 PolarHBondContact O-N 3.28Å; Q282-E285 PolarHBondContact O-N 2.98Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3.1Å; E285-D288 PolarHBondContact O-N 3.01Å; E285-E289 PolarHBondContact O-N 2.78Å
286	C	87.8	Confident	90.6	Very high	74 Å²	74	92.1 Å²	92.1	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-38.7	177.3	-72.6	0	0	0	0	112.5	Q282 D288 E289 E290	Q282-C286 WeakPolarHBondContact O-CB 3.46Å; Q282-C286 PolarHBondContact O-N 3.02Å; Q282-C286 PolarHBondContact O-SG 3.02Å; C286-D288 VanDerWaalsContact C-N 3.33Å; C286-E289 PolarHBondContact O-N 2.77Å; C286-E290 PolarHBondContact O-N 3.18Å
287	R	84.4	Confident	90.6	Very high	116 Å²	116	92.6 Å²	92.6	44%	0.438	45%	0.446	S	S	.	.	H	α-helix	trans	-66.8	-35.8	179.2	-179.8	177.9	167.5	-161.1	-6.7	112.2	L283 Q284 E285 E289	L283-R287 VanDerWaalsContact O-CB 3.29Å; L283-R287 WeakPolarHBondContact O-CB 3.45Å; L283-R287 PolarHBondContact O-N 2.96Å; Q284-R287 PolarHBondContact O-N 3.11Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3.1Å; R287-E289 PolarHBondContact O-N 2.65Å
288	D	83.9	Confident	90.7	Very high	132 Å²	132	92 Å²	92	71%	0.706	45%	0.446	S	S	*	.	H	α-helix	trans	-70.6	-22.8	176.7	-70.2	-19.2	0	0	0	112.1	Q284 E285 C286	Q284-D288 PolarHBondContact O-N 3.12Å; E285-D288 PolarHBondContact O-N 3.01Å; C286-D288 VanDerWaalsContact C-N 3.33Å
289	E	86.5	Confident	90.7	Very high	169 Å²	169	91.7 Å²	91.7	79%	0.79	45%	0.452	S	S	*	.	H	α-helix	trans	-90.4	-46.8	179.5	-68.6	-176	172.4	0	0	113.8	E285 C286 R287	E285-E289 PolarHBondContact O-N 2.78Å; C286-E289 PolarHBondContact O-N 2.77Å; R287-E289 PolarHBondContact O-N 2.65Å
290	E	84.6	Confident	90.7	Very high	169 Å²	169	91.6 Å²	91.6	79%	0.79	45%	0.45	S	S	*	.			trans	-149.8	110	-176	-169.6	171.2	-167.1	0	0	112.2	C286	C286-E290 PolarHBondContact O-N 3.18Å
291	E	85.7	Confident	90.7	Very high	137 Å²	137	91.1 Å²	91.1	64%	0.64	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-82.1	133.6	174.6	-66.4	-169.8	154.4	0	0	111.5
292	A	88.6	Confident	90.8	Very high	20 Å²	20	88.8 Å²	88.8	17%	0.165	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-58.9	144.4	175.3	0	0	0	0	0	111.6	E296 M297	A292-E296 HydrophobicContact CB-CB 4.46Å; A292-E296 HydrophobicContact CB-CG 4.29Å; A292-M297 HydrophobicContact CB-CE 4.19Å; A292-M297 HydrophobicContact CB-CG 3.99Å; A292-M297 WeakPolarHBondContact O-CE 3.09Å
293	S	92.2	Very high	90.8	Very high	64 Å²	64	88.1 Å²	88.1	45%	0.448	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-66.7	156.8	175.5	70.8	0	0	0	0	111.9	E295 E296 M297	S293-E295 VanDerWaalsContact C-N 3.25Å; S293-E295 PolarHBondContact O-N 3.45Å; S293-E296 WeakPolarHBondContact O-CB 3.17Å; S293-E296 PolarHBondContact O-N 3.39Å; S293-E296 VanDerWaalsContact OG-CB 3.29Å; S293-E296 WeakPolarHBondContact OG-CB 3.4Å; S293-E296 PolarHBondContact OG-N 3.28Å; S293-M297 WeakPolarHBondContact O-CG 3.36Å; S293-M297 PolarHBondContact O-N 3.39Å
294	Q	92.4	Very high	90.9	Very high	147 Å²	147	86.5 Å²	86.5	69%	0.687	43%	0.432	S	S	*	.	H	α-helix	trans	-57.8	-36.6	176.2	-71.1	-174.4	-11.5	0	0	113.1	E296 A298	Q294-E296 VanDerWaalsContact C-N 3.34Å; Q294-A298 WeakPolarHBondContact O-CB 3.37Å; Q294-A298 PolarHBondContact O-N 3.27Å
295	E	94.1	Very high	91	Very high	168 Å²	168	82.7 Å²	82.7	79%	0.785	41%	0.413	S	S	*	.	H	α-helix	trans	-66.2	-39.4	176.5	-66.4	-175.2	176.5	0	0	111.4	S293 A298 S299	S293-E295 VanDerWaalsContact C-N 3.25Å; S293-E295 PolarHBondContact O-N 3.45Å; E295-A298 PolarHBondContact O-N 3.07Å; E295-S299 WeakPolarHBondContact O-CB 3.26Å; E295-S299 PolarHBondContact O-N 2.99Å
296	E	94.2	Very high	91	Very high	79 Å²	79	84.9 Å²	84.9	37%	0.369	42%	0.417	S	S	.	.	H	α-helix	trans	-68.4	-45.6	176	-177.7	172.8	-167.5	0	0	112	A292 S293 Q294 A298 S299 R300	A292-E296 HydrophobicContact CB-CB 4.46Å; A292-E296 HydrophobicContact CB-CG 4.29Å; S293-E296 WeakPolarHBondContact O-CB 3.17Å; S293-E296 PolarHBondContact O-N 3.39Å; S293-E296 VanDerWaalsContact OG-CB 3.29Å; S293-E296 WeakPolarHBondContact OG-CB 3.4Å; S293-E296 PolarHBondContact OG-N 3.28Å; Q294-E296 VanDerWaalsContact C-N 3.34Å; E296-A298 VanDerWaalsContact C-N 3.29Å; E296-A298 PolarHBondContact O-N 2.95Å; E296-S299 WeakPolarHBondContact O-CB 3.27Å; E296-S299 PolarHBondContact O-N 3.49Å; E296-S299 VanDerWaalsContact O-N 3.09Å; E296-R300 HydrophobicContact CG-CG 4.44Å; E296-R300 WeakPolarHBondContact O-CG 2.92Å; E296-R300 PolarHBondContact O-N 2.68Å; E296-R300 IonicContact OE1-CZ 2.6Å; E296-R300 VanDerWaalsContact OE1-CZ 3.3Å; E296-R300 IonicContact OE1-NE 3.2Å; E296-R300 PolarHBondContact OE1-NE 3.49Å; E296-R300 IonicContact OE1-NH2 3.33Å; E296-R300 PolarHBondContact OE1-NH2 3.21Å
297	M	94	Very high	91.2	Very high	24 Å²	24	85 Å²	85	12%	0.118	41%	0.411	C	S	.	.	H	α-helix	trans	-57.7	-42.8	174.3	-68.2	-175	176.1	0	0	111.2	A292 S293 R300 F301 D418	A292-M297 HydrophobicContact CB-CE 4.19Å; A292-M297 HydrophobicContact CB-CG 3.99Å; A292-M297 WeakPolarHBondContact O-CE 3.09Å; S293-M297 WeakPolarHBondContact O-CG 3.36Å; S293-M297 PolarHBondContact O-N 3.39Å; M297-R300 PolarHBondContact O-N 3.48Å; M297-F301 PolarHBondContact O-N 3.32Å; M297-D418 VanDerWaalsContact SD-O 3.38Å
298	A	94.1	Very high	91.4	Very high	25 Å²	25	79.7 Å²	79.7	21%	0.207	39%	0.391	C	S	.	.	H	α-helix	trans	-63.9	-39.4	174.8	0	0	0	0	0	112.6	Q294 E295 E296 F301 E302	Q294-A298 WeakPolarHBondContact O-CB 3.37Å; Q294-A298 PolarHBondContact O-N 3.27Å; E295-A298 PolarHBondContact O-N 3.07Å; E296-A298 VanDerWaalsContact C-N 3.29Å; E296-A298 PolarHBondContact O-N 2.95Å; A298-F301 WeakPolarHBondContact O-CB 3.5Å; A298-F301 PolarHBondContact O-N 2.91Å; A298-E302 WeakPolarHBondContact O-CG 3.36Å; A298-E302 PolarHBondContact O-N 3.22Å; A298-E302 VanDerWaalsContact O-N 3.15Å
299	S	94.9	Very high	91.6	Very high	66 Å²	66	74.9 Å²	74.9	46%	0.462	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-43.5	174.5	-177.5	0	0	0	0	111.7	E295 E296 F301 E302 I303	E295-S299 WeakPolarHBondContact O-CB 3.26Å; E295-S299 PolarHBondContact O-N 2.99Å; E296-S299 WeakPolarHBondContact O-CB 3.27Å; E296-S299 PolarHBondContact O-N 3.49Å; E296-S299 VanDerWaalsContact O-N 3.09Å; S299-F301 VanDerWaalsContact C-N 3.34Å; S299-F301 PolarHBondContact O-N 3.47Å; S299-E302 PolarHBondContact O-N 3.02Å; S299-I303 WeakPolarHBondContact O-CG1 3.37Å; S299-I303 PolarHBondContact O-N 2.89Å
300	R	95.3	Very high	91.6	Very high	77 Å²	77	73 Å²	73	29%	0.291	35%	0.354	S	S	.	.	H	α-helix	trans	-64.8	-36.9	177.5	-69.2	176.3	-176.8	-164.1	4.8	111.8	E296 M297 I303 E304 D421	E296-R300 HydrophobicContact CG-CG 4.44Å; E296-R300 WeakPolarHBondContact O-CG 2.92Å; E296-R300 PolarHBondContact O-N 2.68Å; E296-R300 IonicContact OE1-CZ 2.6Å; E296-R300 VanDerWaalsContact OE1-CZ 3.3Å; E296-R300 IonicContact OE1-NE 3.2Å; E296-R300 PolarHBondContact OE1-NE 3.49Å; E296-R300 IonicContact OE1-NH2 3.33Å; E296-R300 PolarHBondContact OE1-NH2 3.21Å; M297-R300 PolarHBondContact O-N 3.48Å; R300-I303 PolarHBondContact O-N 2.84Å; R300-E304 PolarHBondContact O-N 2.72Å; R300-D421 WeakPolarHBondContact CD-OD1 3.41Å; R300-D421 IonicContact CZ-OD1 3.98Å; R300-D421 IonicContact CZ-OD2 3.55Å; R300-D421 IonicContact NE-OD1 2.94Å; R300-D421 IonicContact NH1-OD1 3.35Å; R300-D421 PolarHBondContact NH1-OD1 2.98Å; R300-D421 IonicContact NH1-OD2 3.82Å; R300-D421 PolarHBondContact NH1-OD2 2.84Å
301	F	95.1	Very high	91.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-48.2	169.6	172.1	-97.3	0	0	0	112	M297 A298 S299 I303 E304 K305 T348 C411 R416 Y422	M297-F301 PolarHBondContact O-N 3.32Å; A298-F301 WeakPolarHBondContact O-CB 3.5Å; A298-F301 PolarHBondContact O-N 2.91Å; S299-F301 VanDerWaalsContact C-N 3.34Å; S299-F301 PolarHBondContact O-N 3.47Å; F301-I303 VanDerWaalsContact C-N 3.26Å; F301-I303 PolarHBondContact O-N 2.84Å; F301-E304 PolarHBondContact O-N 3.41Å; F301-K305 HydrophobicContact CE1-CD 3.87Å; F301-K305 HydrophobicContact CZ-CD 4.06Å; F301-K305 WeakPolarHBondContact O-CB 3.45Å; F301-K305 PolarHBondContact O-N 3.27Å; F301-T348 HydrophobicContact CD1-CG2 4.44Å; F301-T348 HydrophobicContact CE1-CG2 3.47Å; F301-T348 VanDerWaalsContact CE1-CG2 3.47Å; F301-T348 HydrophobicContact CZ-CG2 3.66Å; F301-C411 HydrophobicContact CE2-CB 4.16Å; F301-R416 HydrophobicContact CB-CG 4.18Å; F301-R416 HydrophobicContact CD1-CB 4.35Å; F301-R416 HydrophobicContact CD1-CG 4.1Å; F301-R416 HydrophobicContact CD2-CB 3.93Å; F301-R416 HydrophobicContact CD2-CG 3.64Å; F301-R416 HydrophobicContact CE1-CB 4.15Å; F301-R416 HydrophobicContact CE1-CG 4.41Å; F301-R416 HydrophobicContact CE2-CB 3.68Å; F301-R416 HydrophobicContact CE2-CG 3.95Å; F301-R416 HydrophobicContact CG-CB 4.24Å; F301-R416 HydrophobicContact CG-CG 3.69Å; F301-R416 HydrophobicContact CZ-CB 3.8Å; F301-R416 HydrophobicContact CZ-CG 4.33Å; F301-Y422 HydrophobicContact CB-CD2 3.68Å; F301-Y422 HydrophobicContact CB-CE2 4.05Å; F301-Y422 HydrophobicContact CB-CG 3.97Å; F301-Y422 AromaticContact CD2-CD1 3.86Å; F301-Y422 HydrophobicContact CD2-CD1 3.86Å; F301-Y422 HydrophobicContact CD2-CD2 4.01Å; F301-Y422 AromaticContact CD2-CE1 3.59Å; F301-Y422 HydrophobicContact CD2-CE1 3.59Å; F301-Y422 AromaticContact CD2-CE2 3.71Å; F301-Y422 HydrophobicContact CD2-CE2 3.71Å; F301-Y422 HydrophobicContact CD2-CG 4.09Å; F301-Y422 AromaticContact CD2-CZ 3.5Å; F301-Y422 HydrophobicContact CE2-CE1 4.14Å; F301-Y422 HydrophobicContact CG-CD2 4.35Å; F301-Y422 HydrophobicContact CG-CE2 4.31Å
302	E	93.5	Very high	91.3	Very high	67 Å²	67	64.4 Å²	64.4	31%	0.313	31%	0.313	S	S	.	.	H	α-helix	trans	-64.4	-31.7	179.4	-71	-61.8	140.1	0	0	112.7	A298 S299 K305 R306	A298-E302 WeakPolarHBondContact O-CG 3.36Å; A298-E302 PolarHBondContact O-N 3.22Å; A298-E302 VanDerWaalsContact O-N 3.15Å; S299-E302 PolarHBondContact O-N 3.02Å; E302-K305 IonicContact OE1-NZ 3.29Å; E302-K305 PolarHBondContact OE1-NZ 3.25Å; E302-K305 WeakPolarHBondContact OE2-CE 3.44Å; E302-K305 IonicContact OE2-NZ 2.65Å; E302-K305 PolarHBondContact OE2-NZ 2.85Å; E302-R306 WeakPolarHBondContact O-CB 3.2Å; E302-R306 PolarHBondContact O-N 3.3Å
303	I	93.3	Very high	90.4	Very high	78 Å²	78	64.5 Å²	64.5	40%	0.4	31%	0.313	S	S	.	.	H	α-helix	trans	-67.6	-55.9	173	-67.3	165.7	0	0	0	110.3	S299 R300 F301 K305 R306 E307	S299-I303 WeakPolarHBondContact O-CG1 3.37Å; S299-I303 PolarHBondContact O-N 2.89Å; R300-I303 PolarHBondContact O-N 2.84Å; F301-I303 VanDerWaalsContact C-N 3.26Å; F301-I303 PolarHBondContact O-N 2.84Å; I303-K305 VanDerWaalsContact C-N 3.31Å; I303-K305 PolarHBondContact O-N 3.35Å; I303-R306 CarbonylContact O-C 3.57Å; I303-R306 WeakPolarHBondContact O-CA 3.33Å; I303-R306 WeakPolarHBondContact O-CB 3.37Å; I303-R306 PolarHBondContact O-N 3.49Å; I303-E307 HydrophobicContact CG2-CG 4.27Å; I303-E307 WeakPolarHBondContact O-CG 3.5Å; I303-E307 PolarHBondContact O-N 3.44Å
304	E	94.2	Very high	89	Confident	1 Å²	1	66 Å²	66	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-41.9	-178.7	-179.2	61	-130.7	0	0	111.3	R300 F301 R306 E307 S308 Y408 I425 N426 K434	R300-E304 PolarHBondContact O-N 2.72Å; F301-E304 PolarHBondContact O-N 3.41Å; E304-R306 PolarHBondContact O-N 3.25Å; E304-E307 PolarHBondContact O-N 2.99Å; E304-S308 WeakPolarHBondContact O-CB 3.46Å; E304-S308 PolarHBondContact O-N 3.48Å; E304-Y408 HydrophobicContact CG-CD2 4.4Å; E304-Y408 WeakPolarHBondContact OE1-CD2 3.39Å; E304-Y408 WeakPolarHBondContact OE1-CE2 3.48Å; E304-I425 HydrophobicContact CG-CB 4.39Å; E304-I425 HydrophobicContact CG-CD1 4.01Å; E304-I425 HydrophobicContact CG-CG2 4.19Å; E304-I425 WeakPolarHBondContact OE2-CG2 3.38Å; E304-N426 VanDerWaalsContact OE2-CG 3.24Å; E304-N426 PolarHBondContact OE2-ND2 3.05Å; E304-N426 PolarHBondContact OE2-OD1 3.3Å; E304-K434 IonicContact OE1-NZ 3.23Å; E304-K434 PolarHBondContact OE1-NZ 3.19Å; E304-K434 IonicContact OE2-NZ 3.37Å; E304-K434 PolarHBondContact OE2-NZ 2.83Å
305	K	91.8	Very high	87.4	Confident	14 Å²	14	62.6 Å²	62.6	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-57.3	-38.6	173.9	-173.3	179.8	72.6	-174.3	0	111.5	F301 E302 I303 S308 F339 C411	F301-K305 HydrophobicContact CE1-CD 3.87Å; F301-K305 HydrophobicContact CZ-CD 4.06Å; F301-K305 WeakPolarHBondContact O-CB 3.45Å; F301-K305 PolarHBondContact O-N 3.27Å; E302-K305 IonicContact OE1-NZ 3.29Å; E302-K305 PolarHBondContact OE1-NZ 3.25Å; E302-K305 WeakPolarHBondContact OE2-CE 3.44Å; E302-K305 IonicContact OE2-NZ 2.65Å; E302-K305 PolarHBondContact OE2-NZ 2.85Å; I303-K305 VanDerWaalsContact C-N 3.31Å; I303-K305 PolarHBondContact O-N 3.35Å; K305-S308 PolarHBondContact O-OG 2.83Å; K305-F339 HydrophobicContact CD-CD1 3.85Å; K305-F339 HydrophobicContact CD-CE1 4.11Å; K305-C411 PolarHBondContact N-SG 3.22Å
306	R	90.2	Very high	85.7	Confident	155 Å²	155	58.2 Å²	58.2	59%	0.585	29%	0.292	S	S	*	.	H	α-helix	trans	-73.8	-42.8	177.1	-174.7	-175.7	-56.4	-174.8	3.9	112.3	E302 I303 E304 S308 M309 F310	E302-R306 WeakPolarHBondContact O-CB 3.2Å; E302-R306 PolarHBondContact O-N 3.3Å; I303-R306 CarbonylContact O-C 3.57Å; I303-R306 WeakPolarHBondContact O-CA 3.33Å; I303-R306 WeakPolarHBondContact O-CB 3.37Å; I303-R306 PolarHBondContact O-N 3.49Å; E304-R306 PolarHBondContact O-N 3.25Å; R306-S308 VanDerWaalsContact C-N 3.34Å; R306-M309 HydrophobicContact CB-CE 4.13Å; R306-M309 HydrophobicContact CG-CE 3.72Å; R306-M309 WeakPolarHBondContact O-CB 3.34Å; R306-M309 PolarHBondContact O-N 3.07Å; R306-F310 HydrophobicContact CG-CE2 4.16Å; R306-F310 WeakPolarHBondContact O-CD2 3.45Å
307	E	91.5	Very high	83.7	Confident	78 Å²	78	62.1 Å²	62.1	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-37.1	179.9	-72.3	-179.4	167.2	0	0	112	I303 E304 M309 F310 N426	I303-E307 HydrophobicContact CG2-CG 4.27Å; I303-E307 WeakPolarHBondContact O-CG 3.5Å; I303-E307 PolarHBondContact O-N 3.44Å; E304-E307 PolarHBondContact O-N 2.99Å; E307-M309 PolarHBondContact O-N 2.85Å; E307-M309 VanDerWaalsContact O-N 3.12Å; E307-F310 PolarHBondContact O-N 2.77Å; E307-N426 PolarHBondContact OE2-ND2 3.17Å; E307-N426 PolarHBondContact OE2-OD1 2.92Å
308	S	90.1	Very high	81.8	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-56.7	-27.5	174.5	78.5	0	0	0	0	113.3	E304 K305 R306 F310 V311 K438	E304-S308 WeakPolarHBondContact O-CB 3.46Å; E304-S308 PolarHBondContact O-N 3.48Å; K305-S308 PolarHBondContact O-OG 2.83Å; R306-S308 VanDerWaalsContact C-N 3.34Å; S308-F310 VanDerWaalsContact C-N 3.3Å; S308-F310 PolarHBondContact O-N 2.94Å; S308-V311 WeakPolarHBondContact O-CB 3.46Å; S308-V311 PolarHBondContact O-N 2.96Å; S308-K438 PolarHBondContact O-NZ 2.98Å
309	M	87.2	Confident	79.8	Confident	32 Å²	32	73.4 Å²	73.4	16%	0.158	37%	0.372	C	S	.	.	H	α-helix	trans	-66.3	-33.1	174.6	-63.5	-167.9	-83	0	0	112.4	R306 E307 V311 D338 S340	R306-M309 HydrophobicContact CB-CE 4.13Å; R306-M309 HydrophobicContact CG-CE 3.72Å; R306-M309 WeakPolarHBondContact O-CB 3.34Å; R306-M309 PolarHBondContact O-N 3.07Å; E307-M309 PolarHBondContact O-N 2.85Å; E307-M309 VanDerWaalsContact O-N 3.12Å; M309-V311 PolarHBondContact O-N 3.23Å; M309-D338 HydrophobicContact CG-CB 3.84Å; M309-D338 HydrophobicContact SD-CB 4.37Å; M309-S340 WeakPolarHBondContact CE-OG 3.46Å; M309-S340 PolarHBondContact SD-OG 3.42Å
310	F	86.6	Confident	78	Confident	129 Å²	129	72.5 Å²	72.5	57%	0.566	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	2	179.9	-58.4	-72.5	0	0	0	112.9	R306 E307 S308 F312	R306-F310 HydrophobicContact CG-CE2 4.16Å; R306-F310 WeakPolarHBondContact O-CD2 3.45Å; E307-F310 PolarHBondContact O-N 2.77Å; S308-F310 VanDerWaalsContact C-N 3.3Å; S308-F310 PolarHBondContact O-N 2.94Å; F310-F312 VanDerWaalsContact O-CD1 3.32Å; F310-F312 WeakPolarHBondContact O-CD1 3.13Å; F310-F312 VanDerWaalsContact O-CE1 3.29Å; F310-F312 WeakPolarHBondContact O-CE1 3.49Å; F310-F312 PolarHBondContact O-N 3.04Å
311	V	85.7	Confident	76	Confident	11 Å²	11	73.8 Å²	73.8	7%	0.067	38%	0.382	C	S	.	.			trans	-84.7	107.8	170.5	-178.5	0	0	0	0	107.7	S308 M309 K434 V435 K438	S308-V311 WeakPolarHBondContact O-CB 3.46Å; S308-V311 PolarHBondContact O-N 2.96Å; M309-V311 PolarHBondContact O-N 3.23Å; V311-K434 HydrophobicContact CG1-CB 4Å; V311-K434 HydrophobicContact CG2-CB 4.33Å; V311-K434 HydrophobicContact CG2-CD 4.49Å; V311-V435 HydrophobicContact CG1-CB 4.19Å; V311-V435 HydrophobicContact CG1-CG2 3.54Å; V311-K438 HydrophobicContact CB-CD 4.22Å; V311-K438 HydrophobicContact CG1-CD 4.32Å; V311-K438 WeakPolarHBondContact O-CD 3.12Å; V311-K438 PolarHBondContact O-NZ 2.86Å
312	F	79.3	Confident	74	Confident	115 Å²	115	77.9 Å²	77.9	50%	0.504	42%	0.415	S	S	.	.			trans	-145.3	153.8	173.6	45	-94.6	0	0	0	110.2	F310	F310-F312 VanDerWaalsContact O-CD1 3.32Å; F310-F312 WeakPolarHBondContact O-CD1 3.13Å; F310-F312 VanDerWaalsContact O-CE1 3.29Å; F310-F312 WeakPolarHBondContact O-CE1 3.49Å; F310-F312 PolarHBondContact O-N 3.04Å
313	S	69.9	Low	72.6	Confident	22 Å²	22	79 Å²	79	15%	0.154	42%	0.417	C	S	.	.			trans	-75.5	154.7	171	-174.4	0	0	0	0	110	D315	S313-D315 PolarHBondContact O-N 2.76Å; S313-D315 PolarHBondContact OG-N 3.14Å
314	S	61.7	Low	71.6	Confident	96 Å²	96	81 Å²	81	67%	0.671	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.8	169.8	50.7	0	0	0	0	112.9	D316	S314-D316 VanDerWaalsContact C-N 3.31Å; S314-D316 PolarHBondContact O-N 2.91Å
315	D	59.8	Low	71.2	Confident	75 Å²	75	81.4 Å²	81.4	40%	0.401	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	13.8	-168.4	-53	-15.2	0	0	0	112	S313 D317 E318	S313-D315 PolarHBondContact O-N 2.76Å; S313-D315 PolarHBondContact OG-N 3.14Å; D315-D317 VanDerWaalsContact C-N 3.25Å; D315-D317 PolarHBondContact O-N 3.06Å; D315-E318 PolarHBondContact O-N 3.38Å
316	D	56.8	Low	70.7	Confident	76 Å²	76	81.9 Å²	81.9	41%	0.406	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20	-169.9	-139.3	22.9	0	0	0	113.7	S314 K446	S314-D316 VanDerWaalsContact C-N 3.31Å; S314-D316 PolarHBondContact O-N 2.91Å; D316-K446 PolarHBondContact O-NZ 3.21Å; D316-K446 IonicContact OD1-NZ 2.62Å; D316-K446 PolarHBondContact OD1-NZ 2.92Å
317	D	53	Low	70.6	Confident	160 Å²	160	79.3 Å²	79.3	86%	0.856	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.3	-178.6	-72.2	-31	0	0	0	114	D315 V319	D315-D317 VanDerWaalsContact C-N 3.25Å; D315-D317 PolarHBondContact O-N 3.06Å; D317-V319 PolarHBondContact O-N 3.04Å
318	E	53.1	Low	70.4	Confident	156 Å²	156	76 Å²	76	73%	0.729	41%	0.411	S	S	*	.	S	Bend	trans	-81.4	111.2	-179.8	-152.4	173	-166.1	0	0	110.4	D315 T320	D315-E318 PolarHBondContact O-N 3.38Å; E318-T320 PolarHBondContact O-N 3.38Å
319	V	53.1	Low	70.2	Confident	131 Å²	131	76.8 Å²	76.8	79%	0.794	41%	0.414	S	S	*	.			trans	-63.8	106.5	174.5	179	0	0	0	0	108.2	D317 P321	D317-V319 PolarHBondContact O-N 3.04Å; V319-P321 WeakPolarHBondContact O-CD 3.3Å
320	T	56.3	Low	70.1	Confident	46 Å²	46	78.8 Å²	78.8	28%	0.282	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-60.6	121.4	172.1	-44.7	0	0	0	0	108.2	E318 A322	E318-T320 PolarHBondContact O-N 3.38Å; T320-A322 PolarHBondContact O-N 3.05Å
321	P	53.1	Low	70.1	Confident	104 Å²	104	75.8 Å²	75.8	68%	0.675	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-60.3	137.5	-178.1	20.9	-30.2	0	0	0	110.2	V319 R323	V319-P321 WeakPolarHBondContact O-CD 3.3Å; P321-R323 PolarHBondContact O-N 3.42Å; P321-R323 VanDerWaalsContact O-N 3.08Å
322	A	53.5	Low	70	Confident	86 Å²	86	80 Å²	80	71%	0.711	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-56	116.4	179.2	0	0	0	0	0	109.9	T320	T320-A322 PolarHBondContact O-N 3.05Å
323	R	65	Low	70.4	Confident	91 Å²	91	79.6 Å²	79.6	34%	0.343	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-73.7	157	174	-65.4	-177.2	-179.4	176.1	-0.3	110	Q129 P321 V325 S326	Q129-R323 WeakPolarHBondContact O-CD 3.38Å; Q129-R323 PolarHBondContact O-NH1 3.5Å; P321-R323 PolarHBondContact O-N 3.42Å; P321-R323 VanDerWaalsContact O-N 3.08Å; R323-V325 HydrophobicContact CB-CG2 4.05Å; R323-V325 PolarHBondContact O-N 3.44Å; R323-S326 WeakPolarHBondContact O-CB 3.28Å; R323-S326 PolarHBondContact O-N 2.82Å; R323-S326 PolarHBondContact O-OG 2.98Å
324	D	72.8	Confident	71.4	Confident	121 Å²	121	80 Å²	80	65%	0.647	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-57	-16.9	-176.9	-164.2	22.1	0	0	0	114.6	S326 R327	D324-S326 PolarHBondContact O-N 2.8Å; D324-R327 PolarHBondContact O-NE 2.98Å; D324-R327 IonicContact OD1-CZ 2.88Å; D324-R327 IonicContact OD1-NE 2.71Å; D324-R327 IonicContact OD1-NH2 3.35Å; D324-R327 PolarHBondContact OD1-NH2 2.93Å; D324-R327 IonicContact OD2-CZ 2.97Å; D324-R327 IonicContact OD2-NH2 2.99Å; D324-R327 PolarHBondContact OD2-NH2 3.35Å
325	V	83.9	Confident	72.8	Confident	8 Å²	8	76.6 Å²	76.6	5%	0.048	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-72.9	-9.1	176.5	-57.2	0	0	0	0	114.3	A126 Q129 V134 R323 R327 H328	A126-V325 HydrophobicContact CB-CB 4.38Å; Q129-V325 HydrophobicContact CB-CG2 4.3Å; V134-V325 HydrophobicContact CB-CG1 3.9Å; V134-V325 HydrophobicContact CG1-CB 4.41Å; V134-V325 HydrophobicContact CG1-CG1 3.75Å; V134-V325 HydrophobicContact CG2-CB 4.2Å; V134-V325 HydrophobicContact CG2-CG1 3.98Å; R323-V325 HydrophobicContact CB-CG2 4.05Å; R323-V325 PolarHBondContact O-N 3.44Å; V325-R327 PolarHBondContact O-N 3.23Å; V325-H328 PolarHBondContact O-CD2 3.24Å; V325-H328 PolarHBondContact O-N 3.29Å; V325-H328 VanDerWaalsContact O-N 3.15Å
326	S	81.6	Confident	74.3	Confident	24 Å²	24	74.7 Å²	74.7	17%	0.168	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-61.1	-18.1	-178.6	-54.7	0	0	0	0	113.8	R323 D324 H328 F329	R323-S326 WeakPolarHBondContact O-CB 3.28Å; R323-S326 PolarHBondContact O-N 2.82Å; R323-S326 PolarHBondContact O-OG 2.98Å; D324-S326 PolarHBondContact O-N 2.8Å; S326-H328 VanDerWaalsContact C-N 3.25Å; S326-H328 PolarHBondContact O-N 3.42Å; S326-F329 VanDerWaalsContact CA-CE1 3.49Å
327	R	88	Confident	75.8	Confident	101 Å²	101	75.4 Å²	75.4	38%	0.381	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-68.2	-18.8	176.7	67.8	178	84.2	-179.6	5.2	114.2	L151 G153 L154 D324 V325	L151-R327 WeakPolarHBondContact O-CD 3.28Å; G153-R327 CarbonylContact C-O 3.58Å; G153-R327 WeakPolarHBondContact CA-O 3.36Å; L154-R327 PolarHBondContact N-O 2.98Å; D324-R327 PolarHBondContact O-NE 2.98Å; D324-R327 IonicContact OD1-CZ 2.88Å; D324-R327 IonicContact OD1-NE 2.71Å; D324-R327 IonicContact OD1-NH2 3.35Å; D324-R327 PolarHBondContact OD1-NH2 2.93Å; D324-R327 IonicContact OD2-CZ 2.97Å; D324-R327 IonicContact OD2-NH2 2.99Å; D324-R327 PolarHBondContact OD2-NH2 3.35Å; V325-R327 PolarHBondContact O-N 3.23Å
328	H	88	Confident	77.4	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.046	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-90.8	5.6	-174	-59.4	-66.4	0	0	0	114.1	I122 A126 L151 V325 S326	I122-H328 HydrophobicContact CG2-CB 3.86Å; A126-H328 HydrophobicContact CB-CB 4Å; L151-H328 PolarHBondContact O-CE1 3Å; V325-H328 PolarHBondContact O-CD2 3.24Å; V325-H328 PolarHBondContact O-N 3.29Å; V325-H328 VanDerWaalsContact O-N 3.15Å; S326-H328 VanDerWaalsContact C-N 3.25Å; S326-H328 PolarHBondContact O-N 3.42Å
329	F	85.3	Confident	78.8	Confident	19 Å²	19	62.6 Å²	62.6	8%	0.083	35%	0.351	C	S	.	.	S	Bend	trans	-150.9	157.4	177.6	61.3	-87.3	0	0	0	112.2	A126 S326 T332	A126-F329 VanDerWaalsContact C-CE1 3.48Å; A126-F329 HydrophobicContact CB-CD1 3.52Å; A126-F329 HydrophobicContact CB-CE1 3.83Å; A126-F329 WeakPolarHBondContact O-CE1 3.34Å; A126-F329 WeakPolarHBondContact O-CZ 3.46Å; S326-F329 VanDerWaalsContact CA-CE1 3.49Å; F329-T332 HydrophobicContact CD2-CG2 4.41Å; F329-T332 HydrophobicContact CE2-CG2 3.91Å; F329-T332 HydrophobicContact CZ-CG2 4.43Å
330	E	85.1	Confident	79.6	Confident	73 Å²	73	57.8 Å²	57.8	34%	0.341	32%	0.323	S	S	.	.	S	Bend	trans	-90.9	166	175.5	65.8	-170.7	-170.3	0	0	112.6	R127 L154 E166	R127-E330 PolarHBondContact NH1-O 3.27Å; L154-E330 HydrophobicContact CD2-CB 4.3Å; E166-E330 PolarHBondContact N-OE1 2.65Å
331	D	86.7	Confident	80.1	Confident	66 Å²	66	62.2 Å²	62.2	35%	0.353	34%	0.335	S	S	.	.			trans	50.6	68.1	176.8	-167.8	0.7	0	0	0	112.9	K169 S333 Y334	K169-D331 HydrophobicContact CD-CB 4.34Å; D331-S333 PolarHBondContact O-N 2.85Å; D331-S333 VanDerWaalsContact O-N 3.12Å; D331-S333 PolarHBondContact OD1-OG 3.31Å; D331-Y334 WeakPolarHBondContact O-CB 3.47Å; D331-Y334 PolarHBondContact O-N 2.95Å; D331-Y334 PolarHBondContact OD1-N 3.22Å
332	T	84.6	Confident	80.2	Confident	101 Å²	101	65.6 Å²	65.6	62%	0.62	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-16.1	179.9	56.9	0	0	0	0	113.7	F329	F329-T332 HydrophobicContact CD2-CG2 4.41Å; F329-T332 HydrophobicContact CE2-CG2 3.91Å; F329-T332 HydrophobicContact CZ-CG2 4.43Å
333	S	87.3	Confident	80.5	Confident	106 Å²	106	65.7 Å²	65.7	74%	0.741	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-14.9	175.7	79.3	0	0	0	0	113.4	D331 G335	D331-S333 PolarHBondContact O-N 2.85Å; D331-S333 VanDerWaalsContact O-N 3.12Å; D331-S333 PolarHBondContact OD1-OG 3.31Å; S333-G335 PolarHBondContact O-N 3.01Å
334	Y	91	Very high	80.5	Confident	30 Å²	30	66.7 Å²	66.7	12%	0.118	36%	0.36	C	S	.	.			trans	-76.8	110.8	-179.3	-160	-76.4	0	0	0	110.5	R127 K169 H173 R174 D331	R127-Y334 PolarHBondContact NH2-O 3.5Å; K169-Y334 HydrophobicContact CB-CD1 4.38Å; K169-Y334 HydrophobicContact CD-CD2 4.26Å; K169-Y334 HydrophobicContact CD-CG 4.31Å; K169-Y334 HydrophobicContact CG-CD1 4.49Å; K169-Y334 WeakPolarHBondContact O-CE1 3.04Å; H173-Y334 HydrophobicContact CB-CD1 4.1Å; H173-Y334 HydrophobicContact CB-CE1 3.93Å; H173-Y334 AromaticContact CD2-CD1 3.82Å; R174-Y334 HydrophobicContact CG-CE1 4.16Å; D331-Y334 WeakPolarHBondContact O-CB 3.47Å; D331-Y334 PolarHBondContact O-N 2.95Å; D331-Y334 PolarHBondContact OD1-N 3.22Å
335	G	90.6	Very high	80.4	Confident	24 Å²	24	69.5 Å²	69.5	25%	0.247	37%	0.37	C	S	.	.			trans	-131.4	-176.1	172.4	0	0	0	0	0	112.4	R174 S333	R174-G335 VanDerWaalsContact CZ-O 3.26Å; R174-G335 PolarHBondContact NE-O 3.31Å; R174-G335 PolarHBondContact NH2-O 2.95Å; S333-G335 PolarHBondContact O-N 3.01Å
336	Y	91.1	Very high	80.4	Confident	35 Å²	35	70.4 Å²	70.4	14%	0.137	38%	0.375	C	S	.	.			trans	-58.2	142.6	176	176	-91.2	0	0	0	111.5	H173 W176 D338 C442	H173-Y336 VanDerWaalsContact O-CD2 3.25Å; H173-Y336 WeakPolarHBondContact O-CD2 3.47Å; W176-Y336 HydrophobicContact CH2-CD2 4.12Å; W176-Y336 AromaticContact CH2-CE2 3.64Å; W176-Y336 HydrophobicContact CH2-CE2 3.64Å; W176-Y336 HydrophobicContact CZ3-CE2 4.18Å; Y336-D338 WeakPolarHBondContact CE1-OD1 3.49Å; Y336-D338 PolarHBondContact OH-OD1 3.29Å; Y336-C442 WeakPolarHBondContact CB-O 3.26Å; Y336-C442 HydrophobicContact CD1-CB 3.68Å; Y336-C442 HydrophobicContact CD2-CB 3.61Å; Y336-C442 HydrophobicContact CE1-CB 3.89Å; Y336-C442 HydrophobicContact CE2-CB 3.81Å; Y336-C442 WeakPolarHBondContact CE2-SG 3.32Å; Y336-C442 HydrophobicContact CG-CB 3.55Å
337	K	88.9	Confident	80.7	Confident	92 Å²	92	73.7 Å²	73.7	40%	0.4	40%	0.396	S	S	.	.			trans	-140.4	143.3	168.4	-70	-177.7	-179.8	175.8	0	106.5	R174 W176	R174-K337 VanDerWaalsContact CZ-CD 3.48Å; R174-K337 VanDerWaalsContact NH2-CE 3.33Å; W176-K337 VanDerWaalsContact CH2-O 3.24Å; W176-K337 WeakPolarHBondContact CH2-O 3.46Å; W176-K337 WeakPolarHBondContact CZ2-O 3.44Å
338	D	87	Confident	81	Confident	38 Å²	38	70.5 Å²	70.5	20%	0.203	39%	0.387	C	S	.	.			trans	-59.9	141.2	-178.6	-65.8	-49.7	0	0	0	112.6	M309 Y336 S340 R341 K438	M309-D338 HydrophobicContact CG-CB 3.84Å; M309-D338 HydrophobicContact SD-CB 4.37Å; Y336-D338 WeakPolarHBondContact CE1-OD1 3.49Å; Y336-D338 PolarHBondContact OH-OD1 3.29Å; D338-S340 PolarHBondContact O-N 3.37Å; D338-R341 PolarHBondContact O-N 2.83Å; D338-K438 VanDerWaalsContact OD1-CE 3.22Å; D338-K438 WeakPolarHBondContact OD1-CE 3.36Å; D338-K438 IonicContact OD1-NZ 2.8Å; D338-K438 PolarHBondContact OD1-NZ 3.06Å; D338-K438 IonicContact OD2-NZ 2.77Å; D338-K438 PolarHBondContact OD2-NZ 3.12Å
339	F	81.7	Confident	81.4	Confident	9 Å²	9	70 Å²	70	4%	0.039	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-41.4	-179.1	175.9	-88	0	0	0	113.1	W176 K305 V346	W176-F339 HydrophobicContact CB-CD2 3.69Å; W176-F339 HydrophobicContact CB-CE2 3.61Å; W176-F339 AromaticContact CD1-CD2 3.78Å; W176-F339 HydrophobicContact CD2-CB 4.33Å; W176-F339 AromaticContact CD2-CD2 3.55Å; W176-F339 HydrophobicContact CD2-CD2 3.55Å; W176-F339 HydrophobicContact CD2-CE2 4.38Å; W176-F339 HydrophobicContact CD2-CG 4.4Å; W176-F339 HydrophobicContact CE3-CB 4.47Å; W176-F339 AromaticContact CE3-CD2 3.99Å; W176-F339 HydrophobicContact CE3-CD2 3.99Å; W176-F339 AromaticContact CG-CD2 3.38Å; W176-F339 HydrophobicContact CG-CD2 3.38Å; W176-F339 AromaticContact CG-CE2 3.77Å; W176-F339 HydrophobicContact CG-CE2 3.77Å; W176-F339 HydrophobicContact CH2-CB 4.48Å; W176-F339 HydrophobicContact CZ2-CB 4.33Å; K305-F339 HydrophobicContact CD-CD1 3.85Å; K305-F339 HydrophobicContact CD-CE1 4.11Å; F339-V346 HydrophobicContact CD2-CG1 4.41Å; F339-V346 HydrophobicContact CE1-CB 4.44Å; F339-V346 HydrophobicContact CE2-CB 3.96Å; F339-V346 HydrophobicContact CE2-CG1 3.56Å; F339-V346 HydrophobicContact CZ-CB 3.87Å; F339-V346 HydrophobicContact CZ-CG1 3.78Å; F339-V346 WeakPolarHBondContact CZ-O 3.47Å
340	S	69.9	Low	81.9	Confident	29 Å²	29	73.5 Å²	73.5	20%	0.203	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	26.7	-173.4	47.8	0	0	0	0	114.4	M309 D338 H342	M309-S340 WeakPolarHBondContact CE-OG 3.46Å; M309-S340 PolarHBondContact SD-OG 3.42Å; D338-S340 PolarHBondContact O-N 3.37Å; S340-H342 PolarHBondContact O-N 2.92Å
341	R	66.1	Low	82.5	Confident	140 Å²	140	70.7 Å²	70.7	53%	0.528	39%	0.385	S	S	.	.			trans	-55.3	138.2	178.1	-173.8	174	175.2	157.2	0.9	111.9	D338 G343 M344	D338-R341 PolarHBondContact O-N 2.83Å; R341-G343 PolarHBondContact O-N 2.73Å; R341-M344 PolarHBondContact O-N 3.06Å
342	H	56	Low	82.9	Confident	174 Å²	174	71.7 Å²	71.7	81%	0.806	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	123.8	-179.3	-69.5	14.5	0	0	0	112.1	S340	S340-H342 PolarHBondContact O-N 2.92Å
343	G	59.1	Low	83.4	Confident	88 Å²	88	72.2 Å²	72.2	91%	0.907	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	-10.7	174.8	0	0	0	0	0	116.2	R341	R341-G343 PolarHBondContact O-N 2.73Å
344	M	65	Low	83.9	Confident	112 Å²	112	67.7 Å²	67.7	55%	0.552	35%	0.354	S	S	*	.			trans	-111.6	112	174.3	-67.5	-173.9	69.1	0	0	110.7	L177 R341 V346	L177-M344 HydrophobicContact CD2-CE 3.93Å; R341-M344 PolarHBondContact O-N 3.06Å; M344-V346 PolarHBondContact O-N 3.38Å
345	H	71.9	Confident	84.2	Confident	181 Å²	181	66.6 Å²	66.6	84%	0.838	35%	0.35	S	S	*	.			trans	-90.8	82.6	174.2	-170.8	-79.8	0	0	0	110
346	V	82.6	Confident	84.6	Confident	26 Å²	26	65.6 Å²	65.6	16%	0.158	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-83.3	127.2	172.4	-175.2	0	0	0	0	108.9	W176 L177 F339 M344 T348	W176-V346 HydrophobicContact CB-CG1 4.18Å; W176-V346 HydrophobicContact CG-CG1 4.36Å; L177-V346 HydrophobicContact CD2-CG2 4.1Å; F339-V346 HydrophobicContact CD2-CG1 4.41Å; F339-V346 HydrophobicContact CE1-CB 4.44Å; F339-V346 HydrophobicContact CE2-CB 3.96Å; F339-V346 HydrophobicContact CE2-CG1 3.56Å; F339-V346 HydrophobicContact CZ-CB 3.87Å; F339-V346 HydrophobicContact CZ-CG1 3.78Å; F339-V346 WeakPolarHBondContact CZ-O 3.47Å; M344-V346 PolarHBondContact O-N 3.38Å; V346-T348 PolarHBondContact O-N 2.79Å
347	P	89.3	Confident	84.9	Confident	93 Å²	93	69 Å²	69	60%	0.604	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-62.4	132.2	177.3	-21.6	32.7	0	0	0	111.9	F349	P347-F349 PolarHBondContact O-N 3.04Å
348	T	93.6	Very high	85.2	Confident	34 Å²	34	70.4 Å²	70.4	21%	0.209	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-55.7	132.3	170.1	-58.9	0	0	0	0	110	F301 V346 R350 G414 R416	F301-T348 HydrophobicContact CD1-CG2 4.44Å; F301-T348 HydrophobicContact CE1-CG2 3.47Å; F301-T348 VanDerWaalsContact CE1-CG2 3.47Å; F301-T348 HydrophobicContact CZ-CG2 3.66Å; V346-T348 PolarHBondContact O-N 2.79Å; T348-R350 PolarHBondContact O-N 2.88Å; T348-G414 WeakPolarHBondContact CG2-O 3.43Å; T348-R416 HydrophobicContact CG2-CB 3.69Å
349	F	96.5	Very high	85.7	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	114.6	172.5	-176.2	-64.2	0	0	0	108.5	P347 Y354 G414 I415 R416 L481 Y482 R485	P347-F349 PolarHBondContact O-N 3.04Å; F349-Y354 WeakPolarHBondContact CE1-O 3.33Å; F349-Y354 AromaticContact CZ-CD1 3.87Å; F349-Y354 HydrophobicContact CZ-CD1 3.87Å; F349-Y354 HydrophobicContact CZ-CG 4.28Å; F349-Y354 WeakPolarHBondContact CZ-O 3.33Å; F349-G414 PolarHBondContact N-O 3.01Å; F349-I415 HydrophobicContact CB-CG1 4Å; F349-I415 HydrophobicContact CD1-CB 4.47Å; F349-I415 HydrophobicContact CD1-CG1 4.16Å; F349-I415 HydrophobicContact CD1-CG2 3.95Å; F349-I415 HydrophobicContact CE1-CG2 4.49Å; F349-I415 HydrophobicContact CG-CG1 4.1Å; F349-I415 CarbonylContact O-C 3.55Å; F349-I415 WeakPolarHBondContact O-CA 3.38Å; F349-R416 PolarHBondContact O-N 2.77Å; F349-L481 HydrophobicContact CE1-CB 4.43Å; F349-L481 HydrophobicContact CE1-CD1 4.46Å; F349-L481 HydrophobicContact CE2-CB 4.11Å; F349-L481 HydrophobicContact CZ-CB 3.8Å; F349-L481 HydrophobicContact CZ-CD2 4.26Å; F349-L481 HydrophobicContact CZ-CG 4.44Å; F349-Y482 HydrophobicContact CB-CE1 3.94Å; F349-Y482 WeakPolarHBondContact CB-OH 3.4Å; F349-Y482 AromaticContact CD2-CD1 3.79Å; F349-Y482 HydrophobicContact CD2-CD1 3.79Å; F349-Y482 AromaticContact CD2-CE1 3.51Å; F349-Y482 HydrophobicContact CD2-CE1 3.51Å; F349-Y482 HydrophobicContact CD2-CG 4.48Å; F349-Y482 HydrophobicContact CE2-CD1 4.34Å; F349-Y482 HydrophobicContact CE2-CE1 4.46Å; F349-Y482 HydrophobicContact CG-CE1 4.15Å; F349-R485 HydrophobicContact CE2-CB 4.12Å; F349-R485 VanDerWaalsContact CE2-CD 3.48Å; F349-R485 HydrophobicContact CE2-CG 4.41Å
350	R	96.5	Very high	86.5	Confident	93 Å²	93	71.2 Å²	71.2	35%	0.351	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.8	174.9	-61.1	179.9	72.8	176.9	6.2	109.9	T348 Q352 D353 Y354 R416 D418	T348-R350 PolarHBondContact O-N 2.88Å; R350-Q352 PolarHBondContact O-N 3.09Å; R350-D353 HydrophobicContact CB-CB 4.43Å; R350-D353 PolarHBondContact O-N 3.36Å; R350-D353 VanDerWaalsContact O-N 3.1Å; R350-Y354 PolarHBondContact O-N 3.36Å; R350-R416 VanDerWaalsContact NE-NH2 3.16Å; R350-D418 IonicContact CZ-OD2 3.36Å; R350-D418 IonicContact NE-OD1 3.64Å; R350-D418 IonicContact NE-OD2 3.3Å; R350-D418 PolarHBondContact NE-OD2 3.24Å; R350-D418 IonicContact NH2-OD1 3.66Å; R350-D418 IonicContact NH2-OD2 2.65Å; R350-D418 PolarHBondContact NH2-OD2 2.79Å
351	V	96.7	Very high	87.8	Confident	13 Å²	13	73.4 Å²	73.4	8%	0.079	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.1	179.2	175	0	0	0	0	111.3	D353 Y354 C355 I415 R416 Y417	V351-D353 PolarHBondContact O-N 3.47Å; V351-Y354 CarbonylContact O-C 3.11Å; V351-Y354 PolarHBondContact O-N 2.93Å; V351-Y354 VanDerWaalsContact O-N 3.13Å; V351-C355 HydrophobicContact CG1-CB 3.52Å; V351-C355 WeakPolarHBondContact O-CB 3.45Å; V351-C355 PolarHBondContact O-N 2.8Å; V351-I415 HydrophobicContact CG2-CG2 3.53Å; V351-R416 WeakPolarHBondContact CG2-O 3.46Å; V351-R416 PolarHBondContact N-O 3.29Å; V351-Y417 HydrophobicContact CB-CD1 3.97Å; V351-Y417 HydrophobicContact CB-CE1 4.04Å; V351-Y417 HydrophobicContact CB-CG 4.38Å; V351-Y417 HydrophobicContact CG1-CD1 3.87Å; V351-Y417 HydrophobicContact CG1-CE1 3.61Å; V351-Y417 HydrophobicContact CG2-CD1 3.87Å; V351-Y417 HydrophobicContact CG2-CD2 3.99Å; V351-Y417 HydrophobicContact CG2-CE1 3.73Å; V351-Y417 HydrophobicContact CG2-CE2 3.88Å; V351-Y417 HydrophobicContact CG2-CG 3.99Å
352	Q	95.3	Very high	89.3	Confident	88 Å²	88	69.8 Å²	69.8	41%	0.411	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.5	174.5	-70.9	67.1	26.7	0	0	112.9	R350 D418	R350-Q352 PolarHBondContact O-N 3.09Å; Q352-D418 HydrophobicContact CG-CB 4.27Å; Q352-D418 WeakPolarHBondContact CG-OD2 3.4Å; Q352-D418 PolarHBondContact OE1-OD2 3Å
353	D	96	Very high	91.3	Very high	111 Å²	111	61.8 Å²	61.8	59%	0.594	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-27.6	179.2	-61.7	-22.3	0	0	0	111.9	R350 V351	R350-D353 HydrophobicContact CB-CB 4.43Å; R350-D353 PolarHBondContact O-N 3.36Å; R350-D353 VanDerWaalsContact O-N 3.1Å; V351-D353 PolarHBondContact O-N 3.47Å
354	Y	97.9	Very high	93.2	Very high	12 Å²	12	57.6 Å²	57.6	5%	0.047	29%	0.291	C	S	.	.	S	Bend	trans	-163.2	119.1	179.8	-166.7	-77.6	0	0	0	109.9	F349 R350 V351 H359 L481 L484 R485 T488	F349-Y354 WeakPolarHBondContact CE1-O 3.33Å; F349-Y354 AromaticContact CZ-CD1 3.87Å; F349-Y354 HydrophobicContact CZ-CD1 3.87Å; F349-Y354 HydrophobicContact CZ-CG 4.28Å; F349-Y354 WeakPolarHBondContact CZ-O 3.33Å; R350-Y354 PolarHBondContact O-N 3.36Å; V351-Y354 CarbonylContact O-C 3.11Å; V351-Y354 PolarHBondContact O-N 2.93Å; V351-Y354 VanDerWaalsContact O-N 3.13Å; Y354-H359 HydrophobicContact CD1-CB 4.12Å; Y354-H359 HydrophobicContact CD2-CB 3.83Å; Y354-H359 AromaticContact CD2-CG 3.9Å; Y354-H359 HydrophobicContact CE1-CB 3.82Å; Y354-H359 HydrophobicContact CE2-CB 3.51Å; Y354-H359 HydrophobicContact CG-CB 4.13Å; Y354-H359 VanDerWaalsContact CZ-CB 3.49Å; Y354-L481 HydrophobicContact CD1-CD2 4.13Å; Y354-L481 HydrophobicContact CE1-CD2 4.3Å; Y354-L484 HydrophobicContact CE1-CB 4.33Å; Y354-L484 VanDerWaalsContact OH-C 3.3Å; Y354-L484 WeakPolarHBondContact OH-CB 2.94Å; Y354-L484 PolarHBondContact OH-O 3.31Å; Y354-R485 HydrophobicContact CD1-CB 4.1Å; Y354-R485 HydrophobicContact CD2-CB 4.15Å; Y354-R485 HydrophobicContact CD2-CG 4Å; Y354-R485 HydrophobicContact CE1-CB 4.15Å; Y354-R485 HydrophobicContact CE2-CB 4.19Å; Y354-R485 HydrophobicContact CE2-CG 4.4Å; Y354-R485 HydrophobicContact CG-CB 4.09Å; Y354-R485 HydrophobicContact CG-CG 4.08Å; Y354-T488 HydrophobicContact CE2-CG2 4.19Å; Y354-T488 WeakPolarHBondContact CE2-OG1 3.31Å; Y354-T488 PolarHBondContact OH-OG1 3.3Å
355	C	97.5	Very high	94.7	Very high	7 Å²	7	54.5 Å²	54.5	5%	0.047	28%	0.277	C	S	.	.			trans	-127.4	171	179.3	65.2	0	0	0	0	111.8	V351 D358 H359 G360	V351-C355 HydrophobicContact CG1-CB 3.52Å; V351-C355 WeakPolarHBondContact O-CB 3.45Å; V351-C355 PolarHBondContact O-N 2.8Å; C355-D358 WeakPolarHBondContact SG-CB 3.41Å; C355-D358 VanDerWaalsContact SG-CG 3.51Å; C355-D358 PolarHBondContact SG-N 3.14Å; C355-D358 PolarHBondContact SG-OD2 3.24Å; C355-H359 PolarHBondContact N-ND1 3.47Å; C355-H359 VanDerWaalsContact N-ND1 3.2Å; C355-H359 WeakPolarHBondContact O-CB 3.38Å; C355-H359 PolarHBondContact O-N 2.93Å; C355-G360 PolarHBondContact O-N 3.16Å
356	W	97.9	Very high	95.9	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.008	26%	0.264	C	S	.	.	I	π-helix	trans	-68.1	-47.1	178.4	169.9	-103.8	0	0	0	110.3	G360 Y361 V364 I375 D376 F379 Q477 L480 L481 L484	W356-G360 WeakPolarHBondContact O-CA 3.49Å; W356-G360 PolarHBondContact O-N 2.91Å; W356-Y361 HydrophobicContact CZ2-CD2 4.37Å; W356-Y361 WeakPolarHBondContact O-CB 3.4Å; W356-Y361 PolarHBondContact O-N 3.49Å; W356-V364 HydrophobicContact CH2-CG2 4.49Å; W356-V364 HydrophobicContact CZ3-CG2 4.28Å; W356-I375 HydrophobicContact CH2-CB 4.01Å; W356-I375 HydrophobicContact CH2-CD1 4.35Å; W356-I375 HydrophobicContact CH2-CG2 3.61Å; W356-I375 HydrophobicContact CZ2-CB 3.98Å; W356-I375 HydrophobicContact CZ2-CG2 3.64Å; W356-I375 HydrophobicContact CZ3-CG2 4.43Å; W356-D376 HydrophobicContact CZ2-CB 4.35Å; W356-D376 PolarHBondContact NE1-OD1 3.33Å; W356-F379 HydrophobicContact CD2-CD2 4.21Å; W356-F379 AromaticContact CD2-CE2 3.94Å; W356-F379 HydrophobicContact CD2-CE2 3.94Å; W356-F379 AromaticContact CE2-CD2 3.92Å; W356-F379 AromaticContact CE2-CE2 3.92Å; W356-F379 HydrophobicContact CE3-CE2 4.23Å; W356-F379 HydrophobicContact CG-CD2 4.34Å; W356-F379 HydrophobicContact CG-CE2 4.36Å; W356-F379 HydrophobicContact CH2-CE2 4.49Å; W356-F379 HydrophobicContact CZ2-CD2 4.4Å; W356-F379 HydrophobicContact CZ2-CE2 4.21Å; W356-F379 HydrophobicContact CZ3-CE2 4.5Å; W356-F379 AromaticContact NE1-CD2 3.84Å; W356-Q477 HydrophobicContact CB-CG 4.44Å; W356-L480 HydrophobicContact CH2-CD1 4.5Å; W356-L480 HydrophobicContact CZ3-CD1 4.05Å; W356-L481 HydrophobicContact CB-CD2 4.26Å; W356-L484 HydrophobicContact CE3-CD1 4.31Å; W356-L484 HydrophobicContact CZ3-CD1 3.89Å
357	E	96.5	Very high	96.6	Very high	106 Å²	106	53 Å²	53	50%	0.495	26%	0.263	S	S	.	.	I	π-helix	trans	-63.3	-49.1	-171.1	-62.6	72.2	-160.7	0	0	111.7
358	D	96.5	Very high	97	Very high	122 Å²	122	48.7 Å²	48.7	65%	0.652	23%	0.234	S	C	*	.	I	π-helix	trans	-86.6	-26.8	-176	-57.4	-36	0	0	0	112.8	C355	C355-D358 WeakPolarHBondContact SG-CB 3.41Å; C355-D358 VanDerWaalsContact SG-CG 3.51Å; C355-D358 PolarHBondContact SG-N 3.14Å; C355-D358 PolarHBondContact SG-OD2 3.24Å
359	H	97.9	Very high	97.1	Very high	65 Å²	65	50.5 Å²	50.5	30%	0.301	25%	0.247	S	C	.	.	I	π-helix	trans	-124.6	-57.4	-169.2	-49.1	81.4	0	0	0	113.4	Y354 C355 Y361 S362 L363	Y354-H359 HydrophobicContact CD1-CB 4.12Å; Y354-H359 HydrophobicContact CD2-CB 3.83Å; Y354-H359 AromaticContact CD2-CG 3.9Å; Y354-H359 HydrophobicContact CE1-CB 3.82Å; Y354-H359 HydrophobicContact CE2-CB 3.51Å; Y354-H359 HydrophobicContact CG-CB 4.13Å; Y354-H359 VanDerWaalsContact CZ-CB 3.49Å; C355-H359 PolarHBondContact N-ND1 3.47Å; C355-H359 VanDerWaalsContact N-ND1 3.2Å; C355-H359 WeakPolarHBondContact O-CB 3.38Å; C355-H359 PolarHBondContact O-N 2.93Å; H359-Y361 PolarHBondContact O-N 3.46Å; H359-S362 PolarHBondContact O-N 3.16Å; H359-S362 PolarHBondContact O-OG 3.12Å; H359-L363 WeakPolarHBondContact O-CB 3.48Å; H359-L363 PolarHBondContact O-N 2.95Å; H359-L363 VanDerWaalsContact O-N 3.11Å
360	G	97.8	Very high	97.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.269	C	S	.	.	I	π-helix	trans	-58.9	-49.8	-173.8	0	0	0	0	0	113.1	C355 W356 S362 L363 V364	C355-G360 PolarHBondContact O-N 3.16Å; W356-G360 WeakPolarHBondContact O-CA 3.49Å; W356-G360 PolarHBondContact O-N 2.91Å; G360-S362 PolarHBondContact O-N 3.46Å; G360-L363 PolarHBondContact O-N 3.28Å; G360-V364 WeakPolarHBondContact O-CB 3.33Å; G360-V364 WeakPolarHBondContact O-CG2 3.44Å; G360-V364 PolarHBondContact O-N 3.37Å
361	Y	97.9	Very high	97.2	Very high	74 Å²	74	50.2 Å²	50.2	29%	0.29	25%	0.252	S	S	.	.	H	α-helix	trans	-53.9	-54.2	179.4	175	-90	0	0	0	111.7	W356 H359 L363 V364 N365 D376	W356-Y361 HydrophobicContact CZ2-CD2 4.37Å; W356-Y361 WeakPolarHBondContact O-CB 3.4Å; W356-Y361 PolarHBondContact O-N 3.49Å; H359-Y361 PolarHBondContact O-N 3.46Å; Y361-L363 PolarHBondContact O-N 3.45Å; Y361-V364 PolarHBondContact O-N 3.03Å; Y361-N365 VanDerWaalsContact O-CB 3.31Å; Y361-N365 WeakPolarHBondContact O-CB 3.21Å; Y361-N365 PolarHBondContact O-N 2.95Å; Y361-D376 HydrophobicContact CD2-CB 3.91Å; Y361-D376 HydrophobicContact CE2-CB 3.99Å
362	S	97.1	Very high	97.2	Very high	64 Å²	64	49.6 Å²	49.6	45%	0.448	25%	0.249	S	C	.	.	H	α-helix	trans	-67.8	-37.3	-175.1	67.8	0	0	0	0	112.2	H359 G360 R366	H359-S362 PolarHBondContact O-N 3.16Å; H359-S362 PolarHBondContact O-OG 3.12Å; G360-S362 PolarHBondContact O-N 3.46Å; S362-R366 VanDerWaalsContact O-CB 3.23Å; S362-R366 WeakPolarHBondContact O-CB 3.38Å; S362-R366 PolarHBondContact O-N 3.1Å
363	L	98.1	Very high	97.3	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-50	176.2	176	62.6	0	0	0	111.6	H359 G360 Y361 R366 L367 L484 I487 T488 M491	H359-L363 WeakPolarHBondContact O-CB 3.48Å; H359-L363 PolarHBondContact O-N 2.95Å; H359-L363 VanDerWaalsContact O-N 3.11Å; G360-L363 PolarHBondContact O-N 3.28Å; Y361-L363 PolarHBondContact O-N 3.45Å; L363-R366 PolarHBondContact O-N 2.83Å; L363-L367 HydrophobicContact CD1-CD1 3.66Å; L363-L367 HydrophobicContact CD1-CG 4.39Å; L363-L367 HydrophobicContact CG-CD1 4.29Å; L363-L367 PolarHBondContact O-N 3.28Å; L363-L484 HydrophobicContact CD2-CB 4.04Å; L363-L484 HydrophobicContact CD2-CD2 3.95Å; L363-L484 WeakPolarHBondContact CD2-O 3.07Å; L363-L484 HydrophobicContact CG-CD2 4.44Å; L363-I487 HydrophobicContact CD1-CG2 4.47Å; L363-I487 HydrophobicContact CD2-CB 4.25Å; L363-I487 HydrophobicContact CD2-CG2 4.03Å; L363-T488 WeakPolarHBondContact CD2-OG1 3.44Å; L363-M491 HydrophobicContact CD1-SD 3.89Å
364	V	97.9	Very high	97.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-49.2	-178.6	169.3	0	0	0	0	109.9	V200 V204 W356 G360 Y361 R366 L367 Y368 V371 L484	V200-V364 HydrophobicContact CG1-CB 4.48Å; V200-V364 HydrophobicContact CG1-CG1 4.22Å; V200-V364 HydrophobicContact CG1-CG2 4.31Å; V204-V364 HydrophobicContact CG2-CG1 4.41Å; W356-V364 HydrophobicContact CH2-CG2 4.49Å; W356-V364 HydrophobicContact CZ3-CG2 4.28Å; G360-V364 WeakPolarHBondContact O-CB 3.33Å; G360-V364 WeakPolarHBondContact O-CG2 3.44Å; G360-V364 PolarHBondContact O-N 3.37Å; Y361-V364 PolarHBondContact O-N 3.03Å; V364-R366 PolarHBondContact O-N 3.44Å; V364-L367 PolarHBondContact O-N 3.11Å; V364-L367 VanDerWaalsContact O-N 3.09Å; V364-Y368 CarbonylContact O-C 3.4Å; V364-Y368 PolarHBondContact O-N 2.97Å; V364-V371 HydrophobicContact CG1-CG1 3.14Å; V364-L484 HydrophobicContact CG2-CD1 3.43Å; V364-L484 VanDerWaalsContact CG2-CD1 3.43Å; V364-L484 HydrophobicContact CG2-CD2 3.42Å; V364-L484 VanDerWaalsContact CG2-CD2 3.42Å; V364-L484 HydrophobicContact CG2-CG 4.06Å
365	N	96.7	Very high	97.5	Very high	48 Å²	48	46.3 Å²	46.3	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-64.5	-27.6	-178.9	-156.8	57	0	0	0	113.1	Y361 P369 D370	Y361-N365 VanDerWaalsContact O-CB 3.31Å; Y361-N365 WeakPolarHBondContact O-CB 3.21Å; Y361-N365 PolarHBondContact O-N 2.95Å; N365-P369 WeakPolarHBondContact O-CA 3.48Å; N365-D370 WeakPolarHBondContact OD1-CA 3.48Å; N365-D370 PolarHBondContact OD1-N 2.76Å
366	R	97.3	Very high	97.5	Very high	151 Å²	151	48.7 Å²	48.7	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-72.6	-32.8	175	-179.2	170.4	61.2	100.3	-0.2	113.1	S362 L363 V364 M491	S362-R366 VanDerWaalsContact O-CB 3.23Å; S362-R366 WeakPolarHBondContact O-CB 3.38Å; S362-R366 PolarHBondContact O-N 3.1Å; L363-R366 PolarHBondContact O-N 2.83Å; V364-R366 PolarHBondContact O-N 3.44Å; R366-M491 VanDerWaalsContact NH1-CE 3.29Å; R366-M491 PolarHBondContact NH2-SD 2.84Å
367	L	97.6	Very high	97.5	Very high	24 Å²	24	52.1 Å²	52.1	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-98.9	-26.3	-174.4	-69.1	175.2	0	0	0	113	L196 A197 V200 L363 V364 M491	L196-L367 HydrophobicContact CB-CD1 4.13Å; L196-L367 HydrophobicContact CB-CD2 3.81Å; A197-L367 WeakPolarHBondContact CA-O 3.02Å; A197-L367 VanDerWaalsContact CB-O 3.25Å; A197-L367 WeakPolarHBondContact CB-O 3.35Å; V200-L367 HydrophobicContact CB-CB 4.07Å; V200-L367 HydrophobicContact CG1-CB 4.28Å; V200-L367 HydrophobicContact CG2-CB 3.89Å; V200-L367 HydrophobicContact CG2-CD1 3.47Å; V200-L367 VanDerWaalsContact CG2-CD1 3.47Å; V200-L367 HydrophobicContact CG2-CG 4.32Å; L363-L367 HydrophobicContact CD1-CD1 3.66Å; L363-L367 HydrophobicContact CD1-CG 4.39Å; L363-L367 HydrophobicContact CG-CD1 4.29Å; L363-L367 PolarHBondContact O-N 3.28Å; V364-L367 PolarHBondContact O-N 3.11Å; V364-L367 VanDerWaalsContact O-N 3.09Å; L367-M491 HydrophobicContact CD1-SD 4.42Å
368	Y	97.5	Very high	97.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.008	24%	0.236	C	C	.	.	S	Bend	trans	-140.4	95.2	171.1	-175.4	-162.9	0	0	0	107.6	Y104 L105 P111 H201 V364 V371	Y104-Y368 HydrophobicContact CD1-CE1 4.42Å; Y104-Y368 HydrophobicContact CD1-CE2 4.44Å; Y104-Y368 AromaticContact CD1-CZ 3.92Å; Y104-Y368 HydrophobicContact CE1-CD2 4.25Å; Y104-Y368 HydrophobicContact CE1-CE1 4.1Å; Y104-Y368 AromaticContact CE1-CE2 3.53Å; Y104-Y368 HydrophobicContact CE1-CE2 3.53Å; Y104-Y368 AromaticContact CE1-CZ 3.44Å; Y104-Y368 VanDerWaalsContact CE1-CZ 3.44Å; Y104-Y368 PolarHBondContact O-OH 3.19Å; L105-Y368 HydrophobicContact CD2-CE1 3.95Å; P111-Y368 HydrophobicContact CG-CD2 4.25Å; H201-Y368 HydrophobicContact CB-CD1 4.08Å; H201-Y368 HydrophobicContact CB-CE1 4.31Å; H201-Y368 AromaticContact CD2-CE1 3.42Å; H201-Y368 VanDerWaalsContact CD2-CE1 3.42Å; H201-Y368 WeakPolarHBondContact CD2-CE1 3.21Å; H201-Y368 AromaticContact CE1-CE1 3.68Å; H201-Y368 AromaticContact CE1-CZ 3.5Å; H201-Y368 PolarHBondContact CE1-OH 3.14Å; H201-Y368 VanDerWaalsContact CE1-OH 3.23Å; H201-Y368 AromaticContact CG-CD1 3.93Å; H201-Y368 AromaticContact CG-CE1 3.65Å; H201-Y368 AromaticContact ND1-CE1 3.83Å; H201-Y368 AromaticContact ND1-CZ 3.84Å; H201-Y368 AromaticContact NE2-CE1 3.47Å; H201-Y368 WeakPolarHBondContact NE2-CE1 3.49Å; H201-Y368 AromaticContact NE2-CZ 3.68Å; H201-Y368 PolarHBondContact NE2-OH 3.33Å; V364-Y368 CarbonylContact O-C 3.4Å; V364-Y368 PolarHBondContact O-N 2.97Å; Y368-V371 HydrophobicContact CD1-CB 3.72Å; Y368-V371 HydrophobicContact CD1-CG1 3.59Å; Y368-V371 HydrophobicContact CD1-CG2 3.92Å; Y368-V371 HydrophobicContact CE1-CB 4Å; Y368-V371 HydrophobicContact CE1-CG1 4.35Å; Y368-V371 HydrophobicContact CE1-CG2 3.86Å; Y368-V371 HydrophobicContact CG-CB 4.12Å; Y368-V371 HydrophobicContact CG-CG1 3.88Å; Y368-V371 WeakPolarHBondContact O-CG1 3.46Å
369	P	96.6	Very high	97.7	Very high	72 Å²	72	41.7 Å²	41.7	47%	0.468	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	150.8	-176	-29.4	36.8	0	0	0	113.4	Y104 N365 V371	Y104-P369 PolarHBondContact OH-O 2.83Å; N365-P369 WeakPolarHBondContact O-CA 3.48Å; P369-V371 PolarHBondContact O-N 2.58Å
370	D	96	Very high	97.7	Very high	88 Å²	88	44.3 Å²	44.3	47%	0.471	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-22.4	176.8	-50.6	-43.3	0	0	0	116.3	Y104 N365 G372 Q373 L374	Y104-D370 HydrophobicContact CE2-CB 4.33Å; N365-D370 WeakPolarHBondContact OD1-CA 3.48Å; N365-D370 PolarHBondContact OD1-N 2.76Å; D370-G372 PolarHBondContact O-N 2.98Å; D370-Q373 WeakPolarHBondContact O-CB 3.39Å; D370-Q373 PolarHBondContact O-N 2.94Å; D370-Q373 VanDerWaalsContact O-N 3.11Å; D370-L374 PolarHBondContact O-N 3.48Å
371	V	97.7	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-30.1	-180	86.5	0	0	0	0	111.9	Y104 L105 V204 V364 Y368 P369 Q373 L374 I375	Y104-V371 HydrophobicContact CD1-CB 4.23Å; Y104-V371 HydrophobicContact CD1-CG2 4.15Å; Y104-V371 HydrophobicContact CE1-CB 3.91Å; Y104-V371 HydrophobicContact CE1-CG2 4.3Å; L105-V371 HydrophobicContact CD2-CG2 3.68Å; V204-V371 HydrophobicContact CG1-CG2 4.16Å; V364-V371 HydrophobicContact CG1-CG1 3.14Å; Y368-V371 HydrophobicContact CD1-CB 3.72Å; Y368-V371 HydrophobicContact CD1-CG1 3.59Å; Y368-V371 HydrophobicContact CD1-CG2 3.92Å; Y368-V371 HydrophobicContact CE1-CB 4Å; Y368-V371 HydrophobicContact CE1-CG1 4.35Å; Y368-V371 HydrophobicContact CE1-CG2 3.86Å; Y368-V371 HydrophobicContact CG-CB 4.12Å; Y368-V371 HydrophobicContact CG-CG1 3.88Å; Y368-V371 WeakPolarHBondContact O-CG1 3.46Å; P369-V371 PolarHBondContact O-N 2.58Å; V371-Q373 VanDerWaalsContact C-N 3.33Å; V371-Q373 PolarHBondContact O-N 2.84Å; V371-L374 PolarHBondContact O-N 3.25Å; V371-I375 HydrophobicContact CG2-CD1 4.12Å; V371-I375 HydrophobicContact CG2-CG1 4.48Å; V371-I375 VanDerWaalsContact O-CG1 3.29Å; V371-I375 WeakPolarHBondContact O-CG1 3.42Å; V371-I375 PolarHBondContact O-N 3.02Å
372	G	97.3	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-42.6	175.7	0	0	0	0	0	111.5	D370 D376	D370-G372 PolarHBondContact O-N 2.98Å; G372-D376 WeakPolarHBondContact O-CB 3.26Å; G372-D376 PolarHBondContact O-N 3.42Å
373	Q	98	Very high	97.7	Very high	114 Å²	114	41.7 Å²	41.7	53%	0.533	20%	0.2	S	C	.	.	H	α-helix	trans	-66	-42.9	176.6	-178	179.5	-12.3	0	0	112.1	D370 V371 D376 E377	D370-Q373 WeakPolarHBondContact O-CB 3.39Å; D370-Q373 PolarHBondContact O-N 2.94Å; D370-Q373 VanDerWaalsContact O-N 3.11Å; V371-Q373 VanDerWaalsContact C-N 3.33Å; V371-Q373 PolarHBondContact O-N 2.84Å; Q373-D376 PolarHBondContact O-N 3.39Å; Q373-E377 WeakPolarHBondContact O-CB 3.33Å; Q373-E377 PolarHBondContact O-N 3.17Å
374	L	98.3	Very high	97.7	Very high	27 Å²	27	44.8 Å²	44.8	14%	0.141	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-43	179.7	-68.4	169.9	0	0	0	112.1	K100 Y104 D370 V371 K378	K100-L374 HydrophobicContact CB-CD2 4.23Å; Y104-L374 VanDerWaalsContact CB-CD1 3.42Å; Y104-L374 HydrophobicContact CD1-CD1 3.67Å; Y104-L374 HydrophobicContact CD2-CD1 3.98Å; Y104-L374 HydrophobicContact CE1-CD1 4.44Å; Y104-L374 HydrophobicContact CG-CD1 3.4Å; D370-L374 PolarHBondContact O-N 3.48Å; V371-L374 PolarHBondContact O-N 3.25Å; L374-K378 WeakPolarHBondContact O-CG 3.49Å; L374-K378 PolarHBondContact O-N 3.13Å
375	I	98.4	Very high	97.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-44	176.7	-65.5	167.3	0	0	0	110.6	V204 W356 V371 E377 K378 F379 M476 L480	V204-I375 HydrophobicContact CG1-CD1 3.81Å; V204-I375 HydrophobicContact CG2-CD1 3.97Å; W356-I375 HydrophobicContact CH2-CB 4.01Å; W356-I375 HydrophobicContact CH2-CD1 4.35Å; W356-I375 HydrophobicContact CH2-CG2 3.61Å; W356-I375 HydrophobicContact CZ2-CB 3.98Å; W356-I375 HydrophobicContact CZ2-CG2 3.64Å; W356-I375 HydrophobicContact CZ3-CG2 4.43Å; V371-I375 HydrophobicContact CG2-CD1 4.12Å; V371-I375 HydrophobicContact CG2-CG1 4.48Å; V371-I375 VanDerWaalsContact O-CG1 3.29Å; V371-I375 WeakPolarHBondContact O-CG1 3.42Å; V371-I375 PolarHBondContact O-N 3.02Å; I375-E377 PolarHBondContact O-N 3.06Å; I375-K378 WeakPolarHBondContact O-CB 3.49Å; I375-K378 PolarHBondContact O-N 3.01Å; I375-F379 HydrophobicContact CG2-CD1 4.44Å; I375-F379 HydrophobicContact CG2-CD2 3.87Å; I375-F379 HydrophobicContact CG2-CE1 4.02Å; I375-F379 HydrophobicContact CG2-CE2 3.37Å; I375-F379 HydrophobicContact CG2-CG 4.4Å; I375-F379 HydrophobicContact CG2-CZ 3.46Å; I375-F379 VanDerWaalsContact CG2-CZ 3.46Å; I375-F379 WeakPolarHBondContact O-CG 3.39Å; I375-F379 PolarHBondContact O-N 3.05Å; I375-M476 HydrophobicContact CD1-CE 4.3Å; I375-M476 HydrophobicContact CG1-CE 4.22Å; I375-M476 HydrophobicContact CG2-CE 4.41Å; I375-L480 HydrophobicContact CD1-CD1 4.42Å; I375-L480 HydrophobicContact CG2-CD1 4.12Å
376	D	98.4	Very high	97.5	Very high	58 Å²	58	45.2 Å²	45.2	31%	0.31	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-43.9	178.9	-169.3	69.1	0	0	0	112.1	W356 Y361 G372 Q373 K378 F379 H380	W356-D376 HydrophobicContact CZ2-CB 4.35Å; W356-D376 PolarHBondContact NE1-OD1 3.33Å; Y361-D376 HydrophobicContact CD2-CB 3.91Å; Y361-D376 HydrophobicContact CE2-CB 3.99Å; G372-D376 WeakPolarHBondContact O-CB 3.26Å; G372-D376 PolarHBondContact O-N 3.42Å; Q373-D376 PolarHBondContact O-N 3.39Å; D376-K378 VanDerWaalsContact C-N 3.34Å; D376-K378 PolarHBondContact O-N 2.98Å; D376-F379 PolarHBondContact O-N 3.08Å; D376-H380 VanDerWaalsContact O-CB 3.3Å; D376-H380 WeakPolarHBondContact O-CB 3.38Å; D376-H380 PolarHBondContact O-N 3.42Å
377	E	98.2	Very high	97.3	Very high	73 Å²	73	43.5 Å²	43.5	34%	0.341	21%	0.214	S	C	.	.	H	α-helix	trans	-58.9	-45.5	175.3	-176.1	179.7	-158.4	0	0	111.2	Q373 I375 H380 I381	Q373-E377 WeakPolarHBondContact O-CB 3.33Å; Q373-E377 PolarHBondContact O-N 3.17Å; I375-E377 PolarHBondContact O-N 3.06Å; E377-H380 PolarHBondContact O-N 3.15Å; E377-I381 HydrophobicContact CG-CD1 3.75Å; E377-I381 HydrophobicContact CG-CG1 4.44Å; E377-I381 WeakPolarHBondContact O-CB 3.38Å; E377-I381 VanDerWaalsContact O-CG1 3.24Å; E377-I381 WeakPolarHBondContact O-CG1 3.41Å; E377-I381 PolarHBondContact O-N 2.98Å
378	K	97.9	Very high	97.2	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-47.2	175.9	-74.6	-180	49.9	-175.2	0	112.6	S97 T101 L374 I375 D376 H380 I381 A382 E473	S97-K378 VanDerWaalsContact OG-CG 3.28Å; S97-K378 WeakPolarHBondContact OG-CG 3.4Å; T101-K378 HydrophobicContact CG2-CD 4.03Å; T101-K378 WeakPolarHBondContact OG1-CD 3.26Å; L374-K378 WeakPolarHBondContact O-CG 3.49Å; L374-K378 PolarHBondContact O-N 3.13Å; I375-K378 WeakPolarHBondContact O-CB 3.49Å; I375-K378 PolarHBondContact O-N 3.01Å; D376-K378 VanDerWaalsContact C-N 3.34Å; D376-K378 PolarHBondContact O-N 2.98Å; K378-H380 VanDerWaalsContact C-N 3.3Å; K378-H380 PolarHBondContact O-N 3.37Å; K378-I381 PolarHBondContact O-N 3.32Å; K378-A382 WeakPolarHBondContact O-CB 3.2Å; K378-A382 PolarHBondContact O-N 3.43Å; K378-E473 WeakPolarHBondContact CE-OE1 3.35Å; K378-E473 WeakPolarHBondContact CE-OE2 3.39Å; K378-E473 IonicContact NZ-OE1 3.68Å; K378-E473 PolarHBondContact NZ-OE1 3.16Å; K378-E473 IonicContact NZ-OE2 3.79Å; K378-E473 PolarHBondContact NZ-OE2 3Å
379	F	98.4	Very high	96.9	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-45.6	177.7	-70.4	-16.2	0	0	0	110.6	W356 I375 D376 A382 Y383 W406 E473 M476 Q477 L480	W356-F379 HydrophobicContact CD2-CD2 4.21Å; W356-F379 AromaticContact CD2-CE2 3.94Å; W356-F379 HydrophobicContact CD2-CE2 3.94Å; W356-F379 AromaticContact CE2-CD2 3.92Å; W356-F379 AromaticContact CE2-CE2 3.92Å; W356-F379 HydrophobicContact CE3-CE2 4.23Å; W356-F379 HydrophobicContact CG-CD2 4.34Å; W356-F379 HydrophobicContact CG-CE2 4.36Å; W356-F379 HydrophobicContact CH2-CE2 4.49Å; W356-F379 HydrophobicContact CZ2-CD2 4.4Å; W356-F379 HydrophobicContact CZ2-CE2 4.21Å; W356-F379 HydrophobicContact CZ3-CE2 4.5Å; W356-F379 AromaticContact NE1-CD2 3.84Å; I375-F379 HydrophobicContact CG2-CD1 4.44Å; I375-F379 HydrophobicContact CG2-CD2 3.87Å; I375-F379 HydrophobicContact CG2-CE1 4.02Å; I375-F379 HydrophobicContact CG2-CE2 3.37Å; I375-F379 HydrophobicContact CG2-CG 4.4Å; I375-F379 HydrophobicContact CG2-CZ 3.46Å; I375-F379 VanDerWaalsContact CG2-CZ 3.46Å; I375-F379 WeakPolarHBondContact O-CG 3.39Å; I375-F379 PolarHBondContact O-N 3.05Å; D376-F379 PolarHBondContact O-N 3.08Å; F379-A382 PolarHBondContact O-N 3.21Å; F379-Y383 WeakPolarHBondContact O-CB 3.37Å; F379-Y383 PolarHBondContact O-N 3.01Å; F379-W406 HydrophobicContact CD1-CH2 4.44Å; F379-E473 HydrophobicContact CD1-CB 3.97Å; F379-E473 HydrophobicContact CD1-CG 4.42Å; F379-E473 VanDerWaalsContact CD1-OE2 3.26Å; F379-E473 WeakPolarHBondContact CD1-OE2 3.31Å; F379-E473 HydrophobicContact CE1-CB 4.3Å; F379-E473 WeakPolarHBondContact CE1-O 3.37Å; F379-E473 WeakPolarHBondContact CE1-OE2 3.46Å; F379-M476 HydrophobicContact CE1-CB 4.17Å; F379-M476 HydrophobicContact CE1-CG 4.27Å; F379-M476 HydrophobicContact CE1-SD 4.45Å; F379-M476 HydrophobicContact CZ-CB 4.46Å; F379-M476 HydrophobicContact CZ-CG 4.29Å; F379-Q477 HydrophobicContact CD2-CB 4.49Å; F379-Q477 HydrophobicContact CD2-CG 4.3Å; F379-Q477 HydrophobicContact CE1-CB 4.1Å; F379-Q477 HydrophobicContact CE2-CB 3.85Å; F379-Q477 HydrophobicContact CE2-CG 3.79Å; F379-Q477 HydrophobicContact CZ-CB 3.62Å; F379-Q477 HydrophobicContact CZ-CG 4.11Å; F379-L480 HydrophobicContact CE2-CD1 4.41Å; F379-L480 HydrophobicContact CZ-CD1 4Å
380	H	98.1	Very high	96.8	Very high	119 Å²	119	44.2 Å²	44.2	55%	0.551	22%	0.216	S	C	*	.	H	α-helix	trans	-62.1	-45.8	178.5	-173.5	78.8	0	0	0	112.1	D376 E377 K378 N384	D376-H380 VanDerWaalsContact O-CB 3.3Å; D376-H380 WeakPolarHBondContact O-CB 3.38Å; D376-H380 PolarHBondContact O-N 3.42Å; E377-H380 PolarHBondContact O-N 3.15Å; K378-H380 VanDerWaalsContact C-N 3.3Å; K378-H380 PolarHBondContact O-N 3.37Å; H380-N384 PolarHBondContact CE1-ND2 3.41Å; H380-N384 PolarHBondContact ND1-ND2 2.77Å; H380-N384 VanDerWaalsContact ND1-ND2 3.19Å; H380-N384 WeakPolarHBondContact O-CB 3.36Å; H380-N384 PolarHBondContact O-N 3.41Å; H380-N384 PolarHBondContact O-ND2 2.96Å
381	I	98.1	Very high	96.6	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.056	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-54.4	177.4	-68.6	164.1	0	0	0	109.7	Q93 Y94 E377 K378 Y383 N384 L385	Q93-I381 HydrophobicContact CG-CD1 4.13Å; Q93-I381 HydrophobicContact CG-CG1 4.33Å; Q93-I381 HydrophobicContact CG-CG2 4.2Å; Y94-I381 HydrophobicContact CD2-CG2 4.28Å; E377-I381 HydrophobicContact CG-CD1 3.75Å; E377-I381 HydrophobicContact CG-CG1 4.44Å; E377-I381 WeakPolarHBondContact O-CB 3.38Å; E377-I381 VanDerWaalsContact O-CG1 3.24Å; E377-I381 WeakPolarHBondContact O-CG1 3.41Å; E377-I381 PolarHBondContact O-N 2.98Å; K378-I381 PolarHBondContact O-N 3.32Å; I381-Y383 VanDerWaalsContact C-N 3.34Å; I381-Y383 PolarHBondContact O-N 3.42Å; I381-N384 PolarHBondContact O-N 3.04Å; I381-L385 WeakPolarHBondContact O-CA 3.21Å; I381-L385 WeakPolarHBondContact O-CB 3.14Å; I381-L385 PolarHBondContact O-N 3.37Å
382	A	97.9	Very high	96.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-40.8	-177.1	0	0	0	0	0	112.7	Y94 K378 F379 L470 E473	Y94-A382 HydrophobicContact CD2-CB 4.13Å; Y94-A382 HydrophobicContact CE2-CB 4.07Å; K378-A382 WeakPolarHBondContact O-CB 3.2Å; K378-A382 PolarHBondContact O-N 3.43Å; F379-A382 PolarHBondContact O-N 3.21Å; A382-L470 WeakPolarHBondContact O-CD1 3.14Å; A382-E473 HydrophobicContact CB-CB 3.95Å; A382-E473 HydrophobicContact CB-CG 3.56Å
383	Y	97.6	Very high	96.1	Very high	73 Å²	73	46.3 Å²	46.3	29%	0.286	22%	0.224	S	C	.	.	H	α-helix	trans	-66.4	-39.9	179.4	-173.3	-92.8	0	0	0	112	F379 I381 R402 W406	F379-Y383 WeakPolarHBondContact O-CB 3.37Å; F379-Y383 PolarHBondContact O-N 3.01Å; I381-Y383 VanDerWaalsContact C-N 3.34Å; I381-Y383 PolarHBondContact O-N 3.42Å; Y383-R402 PolarHBondContact O-NH1 3.19Å; Y383-W406 AromaticContact CD2-CD2 3.81Å; Y383-W406 HydrophobicContact CD2-CD2 3.81Å; Y383-W406 AromaticContact CD2-CE3 3.8Å; Y383-W406 HydrophobicContact CD2-CE3 3.8Å; Y383-W406 HydrophobicContact CD2-CG 4.15Å; Y383-W406 HydrophobicContact CD2-CZ3 4.28Å; Y383-W406 HydrophobicContact CE2-CB 4.24Å; Y383-W406 HydrophobicContact CE2-CD2 4.25Å; Y383-W406 HydrophobicContact CE2-CG 4.11Å
384	N	97.4	Very high	95.8	Very high	71 Å²	71	48.7 Å²	48.7	38%	0.38	23%	0.233	S	C	.	.	H	α-helix	trans	-98.3	-6	-174.6	-64.5	-62.9	0	0	0	114.8	H380 I381 T386	H380-N384 PolarHBondContact CE1-ND2 3.41Å; H380-N384 PolarHBondContact ND1-ND2 2.77Å; H380-N384 VanDerWaalsContact ND1-ND2 3.19Å; H380-N384 WeakPolarHBondContact O-CB 3.36Å; H380-N384 PolarHBondContact O-N 3.41Å; H380-N384 PolarHBondContact O-ND2 2.96Å; I381-N384 PolarHBondContact O-N 3.04Å; N384-T386 PolarHBondContact O-N 3.2Å
385	L	95.9	Very high	95.6	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.052	27%	0.266	C	S	.	.			trans	-56.2	124.7	-179.3	-176.8	61.9	0	0	0	109.6	H91 I381 Y387 R402 H466	H91-L385 HydrophobicContact CB-CD2 3.98Å; I381-L385 WeakPolarHBondContact O-CA 3.21Å; I381-L385 WeakPolarHBondContact O-CB 3.14Å; I381-L385 PolarHBondContact O-N 3.37Å; L385-Y387 HydrophobicContact CD1-CE2 4.15Å; L385-Y387 HydrophobicContact CG-CE2 4.31Å; L385-R402 WeakPolarHBondContact O-CD 3.08Å; L385-R402 PolarHBondContact O-NE 3.17Å; L385-H466 WeakPolarHBondContact CB-NE2 3.19Å; L385-H466 PolarHBondContact O-CE1 3.29Å; L385-H466 PolarHBondContact O-NE2 3.24Å; L385-H466 VanDerWaalsContact O-NE2 3.11Å
386	T	94.8	Very high	95.4	Very high	46 Å²	46	55.5 Å²	55.5	28%	0.282	27%	0.27	S	S	.	.			trans	-156.8	140.1	175.4	-178.1	0	0	0	0	109.1	N384 N388 T398	N384-T386 PolarHBondContact O-N 3.2Å; T386-N388 PolarHBondContact OG1-N 2.91Å; T386-N388 PolarHBondContact OG1-OD1 2.91Å; T386-T398 PolarHBondContact OG1-OG1 3.16Å
387	Y	93	Very high	95.2	Very high	115 Å²	115	56.5 Å²	56.5	45%	0.451	28%	0.275	S	S	.	.			trans	-105.6	7.8	168.3	-57.5	-77.5	0	0	0	111.3	H91 L385 T389	H91-Y387 AromaticContact CE1-CE2 3.64Å; H91-Y387 AromaticContact ND1-CE2 3.36Å; H91-Y387 WeakPolarHBondContact ND1-CE2 3.45Å; H91-Y387 AromaticContact ND1-CZ 3.59Å; H91-Y387 PolarHBondContact ND1-OH 2.65Å; L385-Y387 HydrophobicContact CD1-CE2 4.15Å; L385-Y387 HydrophobicContact CG-CE2 4.31Å; Y387-T389 PolarHBondContact O-N 2.9Å
388	N	94.7	Very high	95	Very high	72 Å²	72	53.6 Å²	53.6	39%	0.385	26%	0.263	S	S	.	.	S	Bend	trans	50.8	36.5	-170.9	-56.4	-33	0	0	0	112.4	T386 K394 D395 V396	T386-N388 PolarHBondContact OG1-N 2.91Å; T386-N388 PolarHBondContact OG1-OD1 2.91Å; N388-K394 CarbonylContact O-C 3.46Å; N388-D395 PolarHBondContact O-N 3.09Å; N388-V396 CarbonylContact C-O 3.01Å; N388-V396 WeakPolarHBondContact CA-O 3.46Å; N388-V396 PolarHBondContact O-N 2.9Å
389	T	93.2	Very high	94.9	Very high	39 Å²	39	55.4 Å²	55.4	24%	0.239	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.8	175.3	61.8	0	0	0	0	110.3	Y387 H393 K394	Y387-T389 PolarHBondContact O-N 2.9Å; T389-H393 VanDerWaalsContact CA-O 3.28Å; T389-H393 WeakPolarHBondContact CA-O 3.16Å; T389-K394 HydrophobicContact CG2-CG 4.43Å
390	M	92.9	Very high	94.7	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	106.1	169	-175.3	176.6	-70	0	0	108.2	V273 L276 M277 M280 M392 H393 V396 T398 L401 F459 E463	V273-M390 HydrophobicContact CG1-CG 4.02Å; V273-M390 HydrophobicContact CG1-SD 4.11Å; L276-M390 HydrophobicContact CD2-CE 4.39Å; L276-M390 HydrophobicContact CD2-SD 4.03Å; L276-M390 HydrophobicContact CG-SD 4.48Å; M277-M390 HydrophobicContact CG-SD 3.82Å; M280-M390 HydrophobicContact CE-CE 4.33Å; M280-M390 HydrophobicContact SD-CE 3.82Å; M390-M392 PolarHBondContact O-N 2.93Å; M390-M392 VanDerWaalsContact O-N 3.07Å; M390-H393 PolarHBondContact N-O 3.09Å; M390-H393 PolarHBondContact O-N 2.95Å; M390-V396 HydrophobicContact CB-CB 4.29Å; M390-V396 HydrophobicContact CB-CG1 4.15Å; M390-V396 HydrophobicContact CB-CG2 4.35Å; M390-V396 HydrophobicContact CE-CG1 4.28Å; M390-T398 HydrophobicContact CE-CG2 4.1Å; M390-L401 HydrophobicContact CE-CD2 3.58Å; M390-F459 HydrophobicContact CE-CZ 4.49Å; M390-F459 HydrophobicContact CG-CE1 4.28Å; M390-F459 HydrophobicContact CG-CE2 3.78Å; M390-F459 HydrophobicContact CG-CZ 3.48Å; M390-F459 VanDerWaalsContact CG-CZ 3.48Å; M390-F459 HydrophobicContact SD-CZ 4.08Å; M390-E463 WeakPolarHBondContact CA-OE1 3.31Å
391	A	92.3	Very high	94.6	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.033	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-108.5	-174	0	0	0	0	0	112.2	V273 Q458 F459 E463	V273-A391 HydrophobicContact CG1-CB 4.38Å; V273-A391 HydrophobicContact CG2-CB 4.41Å; A391-Q458 HydrophobicContact CB-CB 3.99Å; A391-Q458 WeakPolarHBondContact CB-O 3.31Å; A391-F459 HydrophobicContact CB-CD2 3.97Å; A391-F459 HydrophobicContact CB-CE2 4.37Å; A391-E463 WeakPolarHBondContact CA-OE2 3.04Å; A391-E463 PolarHBondContact N-OE1 3.38Å; A391-E463 PolarHBondContact N-OE2 2.81Å
392	M	90.7	Very high	94.5	Very high	77 Å²	77	51 Å²	51	38%	0.379	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-14.4	177.7	57	-83.8	172	0	0	113.9	F270 V273 M390	F270-M392 HydrophobicContact CD1-CE 3.54Å; F270-M392 HydrophobicContact CD1-SD 3.9Å; F270-M392 HydrophobicContact CE1-CE 3.95Å; F270-M392 HydrophobicContact CE1-CG 4.18Å; F270-M392 HydrophobicContact CE1-SD 3.66Å; V273-M392 HydrophobicContact CB-CE 3.81Å; V273-M392 HydrophobicContact CG1-CE 3.92Å; V273-M392 HydrophobicContact CG2-CE 4.25Å; M390-M392 PolarHBondContact O-N 2.93Å; M390-M392 VanDerWaalsContact O-N 3.07Å
393	H	93.3	Very high	94.5	Very high	51 Å²	51	52.9 Å²	52.9	24%	0.236	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143.3	-176.1	-59.9	-83	0	0	0	111.4	M277 T389 M390 V396	M277-H393 HydrophobicContact CE-CB 4.06Å; M277-H393 HydrophobicContact SD-CB 3.96Å; M277-H393 PolarHBondContact SD-CD2 3.24Å; T389-H393 VanDerWaalsContact CA-O 3.28Å; T389-H393 WeakPolarHBondContact CA-O 3.16Å; M390-H393 PolarHBondContact N-O 3.09Å; M390-H393 PolarHBondContact O-N 2.95Å; H393-V396 HydrophobicContact CB-CG2 3.63Å
394	K	93	Very high	94.5	Very high	165 Å²	165	49.4 Å²	49.4	72%	0.717	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	165.5	172.6	-62.6	-176.9	179.4	-177.6	0	109.2	N388 T389 V396	N388-K394 CarbonylContact O-C 3.46Å; T389-K394 HydrophobicContact CG2-CG 4.43Å; K394-V396 PolarHBondContact O-N 2.9Å
395	D	93.6	Very high	94.5	Very high	155 Å²	155	46.2 Å²	46.2	83%	0.829	23%	0.231	S	C	*	.	S	Bend	trans	59	35.6	-179.9	-51.3	-53.2	0	0	0	112.8	N388	N388-D395 PolarHBondContact O-N 3.09Å
396	V	94	Very high	94.7	Very high	15 Å²	15	46 Å²	46	9%	0.091	23%	0.23	C	C	.	.			trans	-101.2	120.2	178.3	-174.6	0	0	0	0	109.5	M277 N388 M390 H393 K394 T398	M277-V396 HydrophobicContact CE-CG1 4.2Å; M277-V396 HydrophobicContact CE-CG2 3.51Å; M277-V396 HydrophobicContact CG-CG1 4.38Å; M277-V396 HydrophobicContact SD-CG2 4.21Å; N388-V396 CarbonylContact C-O 3.01Å; N388-V396 WeakPolarHBondContact CA-O 3.46Å; N388-V396 PolarHBondContact O-N 2.9Å; M390-V396 HydrophobicContact CB-CB 4.29Å; M390-V396 HydrophobicContact CB-CG1 4.15Å; M390-V396 HydrophobicContact CB-CG2 4.35Å; M390-V396 HydrophobicContact CE-CG1 4.28Å; H393-V396 HydrophobicContact CB-CG2 3.63Å; K394-V396 PolarHBondContact O-N 2.9Å; V396-T398 PolarHBondContact O-N 3.35Å
397	D	93.8	Very high	94.8	Very high	78 Å²	78	44.1 Å²	44.1	42%	0.417	22%	0.218	S	C	.	.			trans	-72.6	115.6	169	-178.2	13.3	0	0	0	109.9	M280 S399	M280-D397 WeakPolarHBondContact CE-O 3.49Å; D397-S399 WeakPolarHBondContact OD1-CB 2.96Å; D397-S399 PolarHBondContact OD1-N 3.43Å; D397-S399 PolarHBondContact OD1-OG 2.91Å; D397-S399 VanDerWaalsContact OD1-OG 3.06Å; D397-S399 PolarHBondContact OD2-OG 3.3Å
398	T	94.6	Very high	95	Very high	13 Å²	13	38.6 Å²	38.6	8%	0.08	20%	0.196	C	C	.	.			trans	-94.8	2.9	-179.4	60.2	0	0	0	0	113.5	T386 M390 V396 M400 L401 R402	T386-T398 PolarHBondContact OG1-OG1 3.16Å; M390-T398 HydrophobicContact CE-CG2 4.1Å; V396-T398 PolarHBondContact O-N 3.35Å; T398-M400 PolarHBondContact O-N 3.27Å; T398-L401 PolarHBondContact O-N 3.37Å; T398-L401 VanDerWaalsContact O-N 3.14Å; T398-R402 PolarHBondContact O-N 3.23Å; T398-R402 PolarHBondContact OG1-NE 3.02Å; T398-R402 VanDerWaalsContact OG1-NE 3.09Å
399	S	95	Very high	95.2	Very high	41 Å²	41	35.2 Å²	35.2	29%	0.287	18%	0.178	S	C	.	.	H	α-helix	trans	-54.6	-47	-173.1	65.5	0	0	0	0	113.7	D397 L401 R402 R403	D397-S399 WeakPolarHBondContact OD1-CB 2.96Å; D397-S399 PolarHBondContact OD1-N 3.43Å; D397-S399 PolarHBondContact OD1-OG 2.91Å; D397-S399 VanDerWaalsContact OD1-OG 3.06Å; D397-S399 PolarHBondContact OD2-OG 3.3Å; S399-L401 VanDerWaalsContact C-N 3.34Å; S399-L401 PolarHBondContact O-N 2.99Å; S399-R402 VanDerWaalsContact CA-NH2 3.25Å; S399-R402 PolarHBondContact O-N 3.33Å; S399-R403 WeakPolarHBondContact O-CB 3.34Å; S399-R403 PolarHBondContact O-N 3.48Å
400	M	94.8	Very high	95.4	Very high	16 Å²	16	33.3 Å²	33.3	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-42.9	178.5	-64	-170.3	69.6	0	0	112	M280 L283 Q284 T398 R403 A404 L428	M280-M400 HydrophobicContact CE-CB 4.38Å; L283-M400 HydrophobicContact CB-CE 3.49Å; L283-M400 VanDerWaalsContact CB-CE 3.49Å; L283-M400 HydrophobicContact CD1-CE 4.32Å; Q284-M400 HydrophobicContact CB-SD 3.93Å; T398-M400 PolarHBondContact O-N 3.27Å; M400-R403 PolarHBondContact O-N 3.12Å; M400-A404 WeakPolarHBondContact O-CB 3.34Å; M400-A404 PolarHBondContact O-N 3.28Å; M400-L428 HydrophobicContact CB-CD1 4.36Å
401	L	95.7	Very high	95.6	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-45	180	-173.7	60.2	0	0	0	111.5	L276 M280 M390 T398 S399 A404 I405 L428 L429 W456	L276-L401 HydrophobicContact CD1-CD1 4.42Å; L276-L401 HydrophobicContact CD2-CD1 4.48Å; L276-L401 HydrophobicContact CD2-CD2 4.11Å; M280-L401 HydrophobicContact CE-CB 4.21Å; M280-L401 HydrophobicContact SD-CB 4.29Å; M390-L401 HydrophobicContact CE-CD2 3.58Å; T398-L401 PolarHBondContact O-N 3.37Å; T398-L401 VanDerWaalsContact O-N 3.14Å; S399-L401 VanDerWaalsContact C-N 3.34Å; S399-L401 PolarHBondContact O-N 2.99Å; L401-A404 PolarHBondContact O-N 2.62Å; L401-I405 HydrophobicContact CG-CD1 4.49Å; L401-I405 WeakPolarHBondContact O-CG1 3.42Å; L401-I405 PolarHBondContact O-N 3.24Å; L401-L428 HydrophobicContact CD1-CB 4.2Å; L401-L429 HydrophobicContact CD1-CD2 3.86Å; L401-W456 HydrophobicContact CD1-CH2 3.72Å; L401-W456 HydrophobicContact CD1-CZ2 3.75Å; L401-W456 HydrophobicContact CD2-CH2 3.53Å; L401-W456 HydrophobicContact CD2-CZ2 3.97Å; L401-W456 HydrophobicContact CD2-CZ3 4.15Å; L401-W456 HydrophobicContact CG-CH2 3.75Å; L401-W456 HydrophobicContact CG-CZ2 4.24Å
402	R	97	Very high	95.7	Very high	21 Å²	21	33.1 Å²	33.1	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-45.5	175.6	-71.5	-177.6	-77.9	106.1	-7.3	111.4	Y383 L385 T398 S399 A404 I405 W406 L470	Y383-R402 PolarHBondContact O-NH1 3.19Å; L385-R402 WeakPolarHBondContact O-CD 3.08Å; L385-R402 PolarHBondContact O-NE 3.17Å; T398-R402 PolarHBondContact O-N 3.23Å; T398-R402 PolarHBondContact OG1-NE 3.02Å; T398-R402 VanDerWaalsContact OG1-NE 3.09Å; S399-R402 VanDerWaalsContact CA-NH2 3.25Å; S399-R402 PolarHBondContact O-N 3.33Å; R402-A404 VanDerWaalsContact C-N 3.33Å; R402-A404 PolarHBondContact O-N 2.89Å; R402-I405 PolarHBondContact O-N 3.29Å; R402-W406 PolarHBondContact O-N 3.01Å; R402-L470 HydrophobicContact CB-CD2 3.99Å; R402-L470 HydrophobicContact CG-CD2 4.12Å
403	R	97.1	Very high	96	Very high	39 Å²	39	29.6 Å²	29.6	15%	0.147	15%	0.147	C	C	.	.	H	α-helix	trans	-60.1	-41.9	176	-171.9	177.8	-176	-152.4	2.9	111.5	S399 M400 W406 N407 D419 Y420	S399-R403 WeakPolarHBondContact O-CB 3.34Å; S399-R403 PolarHBondContact O-N 3.48Å; M400-R403 PolarHBondContact O-N 3.12Å; R403-W406 PolarHBondContact O-N 3.37Å; R403-N407 WeakPolarHBondContact CG-ND2 3.37Å; R403-N407 WeakPolarHBondContact O-CB 3.28Å; R403-N407 PolarHBondContact O-N 3.05Å; R403-N407 PolarHBondContact O-ND2 3.26Å; R403-D419 PolarHBondContact NH2-O 3.18Å; R403-D419 IonicContact NH2-OD2 2.84Å; R403-Y420 HydrophobicContact CG-CD2 4.16Å; R403-Y420 HydrophobicContact CG-CE2 3.84Å
404	A	97.9	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-42.5	177.6	0	0	0	0	0	112.7	M400 L401 R402 Y408 Y420 I425 L428 L429	M400-A404 WeakPolarHBondContact O-CB 3.34Å; M400-A404 PolarHBondContact O-N 3.28Å; L401-A404 PolarHBondContact O-N 2.62Å; R402-A404 VanDerWaalsContact C-N 3.33Å; R402-A404 PolarHBondContact O-N 2.89Å; A404-Y408 VanDerWaalsContact O-CB 3.24Å; A404-Y408 WeakPolarHBondContact O-CB 3.33Å; A404-Y408 PolarHBondContact O-N 3.34Å; A404-Y420 WeakPolarHBondContact CA-OH 3.49Å; A404-I425 HydrophobicContact CB-CG1 4.4Å; A404-L428 HydrophobicContact CB-CB 4.33Å; A404-L428 HydrophobicContact CB-CD1 3.78Å; A404-L429 HydrophobicContact CB-CD2 4.41Å
405	I	98.2	Very high	96.3	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.015	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-49.7	175.3	-65.8	163.8	0	0	0	110.7	L401 R402 N407 Y408 I409 L429 F433 I437 W456 L470 L471	L401-I405 HydrophobicContact CG-CD1 4.49Å; L401-I405 WeakPolarHBondContact O-CG1 3.42Å; L401-I405 PolarHBondContact O-N 3.24Å; R402-I405 PolarHBondContact O-N 3.29Å; I405-N407 PolarHBondContact O-N 3.01Å; I405-Y408 PolarHBondContact O-N 3.41Å; I405-I409 HydrophobicContact CG2-CD1 4.12Å; I405-I409 WeakPolarHBondContact O-CG1 3.27Å; I405-I409 PolarHBondContact O-N 3.04Å; I405-I409 VanDerWaalsContact O-N 3.1Å; I405-L429 HydrophobicContact CG1-CD1 4.49Å; I405-L429 HydrophobicContact CG1-CD2 3.99Å; I405-F433 HydrophobicContact CD1-CE1 3.93Å; I405-F433 HydrophobicContact CD1-CZ 3.89Å; I405-F433 HydrophobicContact CG1-CE1 3.81Å; I405-F433 HydrophobicContact CG1-CZ 4.08Å; I405-I437 HydrophobicContact CG1-CD1 4.49Å; I405-I437 HydrophobicContact CG2-CD1 4.31Å; I405-W456 HydrophobicContact CD1-CH2 4Å; I405-W456 HydrophobicContact CD1-CZ3 4.37Å; I405-L470 HydrophobicContact CB-CD2 3.71Å; I405-L470 HydrophobicContact CD1-CD2 3.82Å; I405-L470 HydrophobicContact CG1-CD2 4.39Å; I405-L470 HydrophobicContact CG2-CD2 3.74Å; I405-L470 HydrophobicContact CG2-CG 4.28Å; I405-L471 HydrophobicContact CG2-CD2 3.39Å
406	W	98.5	Very high	96.4	Very high	7 Å²	7	13.6 Å²	13.6	3%	0.027	7%	0.069	C	C	.	.	H	α-helix	trans	-59.4	-47.7	-179.3	-165.2	-78.1	0	0	0	111.6	F379 Y383 R402 R403 Y408 I409 H410 L470 E473 A474 Q477	F379-W406 HydrophobicContact CD1-CH2 4.44Å; Y383-W406 AromaticContact CD2-CD2 3.81Å; Y383-W406 HydrophobicContact CD2-CD2 3.81Å; Y383-W406 AromaticContact CD2-CE3 3.8Å; Y383-W406 HydrophobicContact CD2-CE3 3.8Å; Y383-W406 HydrophobicContact CD2-CG 4.15Å; Y383-W406 HydrophobicContact CD2-CZ3 4.28Å; Y383-W406 HydrophobicContact CE2-CB 4.24Å; Y383-W406 HydrophobicContact CE2-CD2 4.25Å; Y383-W406 HydrophobicContact CE2-CG 4.11Å; R402-W406 PolarHBondContact O-N 3.01Å; R403-W406 PolarHBondContact O-N 3.37Å; W406-Y408 PolarHBondContact O-N 3.39Å; W406-I409 PolarHBondContact O-N 3.12Å; W406-H410 AromaticContact CD1-CD2 3.86Å; W406-H410 AromaticContact CD1-NE2 3.86Å; W406-H410 AromaticContact CE2-NE2 4Å; W406-H410 AromaticContact NE1-CD2 3.75Å; W406-H410 AromaticContact NE1-CE1 3.56Å; W406-H410 AromaticContact NE1-NE2 3.26Å; W406-H410 PolarHBondContact NE1-NE2 3.06Å; W406-H410 PolarHBondContact O-N 3.46Å; W406-L470 HydrophobicContact CE3-CD1 3.52Å; W406-L470 HydrophobicContact CE3-CG 4.13Å; W406-L470 HydrophobicContact CZ3-CD1 3.92Å; W406-E473 HydrophobicContact CH2-CB 3.85Å; W406-E473 HydrophobicContact CZ3-CB 3.9Å; W406-A474 HydrophobicContact CD2-CB 3.54Å; W406-A474 HydrophobicContact CE3-CB 3.59Å; W406-A474 HydrophobicContact CG-CB 4.02Å; W406-A474 HydrophobicContact CH2-CB 4.3Å; W406-A474 HydrophobicContact CZ2-CB 4.23Å; W406-A474 HydrophobicContact CZ3-CB 3.99Å; W406-Q477 HydrophobicContact CZ2-CB 4.05Å; W406-Q477 HydrophobicContact CZ2-CG 4.46Å; W406-Q477 VanDerWaalsContact CZ2-OE1 3.27Å; W406-Q477 VanDerWaalsContact NE1-OE1 3.14Å
407	N	98	Very high	96.6	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.027	7%	0.071	C	C	.	.	H	α-helix	trans	-69.8	-31.9	-179.5	-78.8	-77	0	0	0	112.8	R403 I405 H410 C411 Y417 Y420 Y422 I425	R403-N407 WeakPolarHBondContact CG-ND2 3.37Å; R403-N407 WeakPolarHBondContact O-CB 3.28Å; R403-N407 PolarHBondContact O-N 3.05Å; R403-N407 PolarHBondContact O-ND2 3.26Å; I405-N407 PolarHBondContact O-N 3.01Å; N407-H410 PolarHBondContact O-N 2.86Å; N407-C411 WeakPolarHBondContact O-CB 3.18Å; N407-C411 PolarHBondContact O-N 3.17Å; N407-Y417 WeakPolarHBondContact OD1-CD2 3.25Å; N407-Y420 HydrophobicContact CB-CD1 3.5Å; N407-Y420 HydrophobicContact CB-CE1 3.33Å; N407-Y420 HydrophobicContact CB-CG 4.25Å; N407-Y420 VanDerWaalsContact CG-CD1 3.45Å; N407-Y422 HydrophobicContact CB-CE1 4.2Å; N407-I425 HydrophobicContact CB-CD1 4.35Å
408	Y	98.1	Very high	96.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.8	-43.6	172.7	177.2	-118.9	0	0	0	111.6	E304 A404 I405 W406 C411 M412 I425 L429 K434 I437	E304-Y408 HydrophobicContact CG-CD2 4.4Å; E304-Y408 WeakPolarHBondContact OE1-CD2 3.39Å; E304-Y408 WeakPolarHBondContact OE1-CE2 3.48Å; A404-Y408 VanDerWaalsContact O-CB 3.24Å; A404-Y408 WeakPolarHBondContact O-CB 3.33Å; A404-Y408 PolarHBondContact O-N 3.34Å; I405-Y408 PolarHBondContact O-N 3.41Å; W406-Y408 PolarHBondContact O-N 3.39Å; Y408-C411 WeakPolarHBondContact O-CB 3.15Å; Y408-C411 PolarHBondContact O-N 3.48Å; Y408-M412 HydrophobicContact CD1-CE 4.08Å; Y408-M412 HydrophobicContact CE1-CE 3.84Å; Y408-M412 HydrophobicContact CE1-SD 3.91Å; Y408-M412 HydrophobicContact CE2-CG 4.28Å; Y408-M412 HydrophobicContact CE2-SD 4.45Å; Y408-M412 WeakPolarHBondContact O-CG 3.35Å; Y408-M412 PolarHBondContact O-N 3.27Å; Y408-I425 HydrophobicContact CD2-CG2 3.72Å; Y408-I425 HydrophobicContact CG-CG2 4.04Å; Y408-L429 HydrophobicContact CD1-CD1 3.99Å; Y408-L429 HydrophobicContact CG-CD1 3.96Å; Y408-K434 HydrophobicContact CE1-CB 4.16Å; Y408-K434 HydrophobicContact CE1-CG 4.01Å; Y408-K434 HydrophobicContact CE2-CD 4.12Å; Y408-K434 HydrophobicContact CE2-CG 4.25Å; Y408-I437 HydrophobicContact CD1-CB 4.29Å; Y408-I437 HydrophobicContact CD1-CD1 3.96Å; Y408-I437 HydrophobicContact CD1-CG2 3.86Å; Y408-I437 HydrophobicContact CE1-CB 4.06Å; Y408-I437 HydrophobicContact CE1-CD1 4.31Å; Y408-I437 HydrophobicContact CE1-CG2 3.93Å
409	I	98.1	Very high	96.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-53.4	174.9	-64.4	164	0	0	0	110	I405 W406 C411 M412 F413 I437 V441 L471 A474	I405-I409 HydrophobicContact CG2-CD1 4.12Å; I405-I409 WeakPolarHBondContact O-CG1 3.27Å; I405-I409 PolarHBondContact O-N 3.04Å; I405-I409 VanDerWaalsContact O-N 3.1Å; W406-I409 PolarHBondContact O-N 3.12Å; I409-C411 PolarHBondContact O-N 3.31Å; I409-M412 HydrophobicContact CB-CE 4.42Å; I409-M412 HydrophobicContact CG1-CE 4.15Å; I409-M412 WeakPolarHBondContact O-CB 3.36Å; I409-M412 PolarHBondContact O-N 3.27Å; I409-F413 HydrophobicContact CG2-CD2 3.95Å; I409-F413 HydrophobicContact CG2-CE2 3.95Å; I409-F413 VanDerWaalsContact O-CD2 3.29Å; I409-F413 WeakPolarHBondContact O-CD2 3.39Å; I409-F413 PolarHBondContact O-N 2.9Å; I409-F413 VanDerWaalsContact O-N 3.14Å; I409-I437 HydrophobicContact CD1-CG2 4.22Å; I409-I437 HydrophobicContact CG1-CG2 3.69Å; I409-V441 HydrophobicContact CD1-CG1 4.16Å; I409-V441 HydrophobicContact CG1-CG1 4.27Å; I409-V441 HydrophobicContact CG2-CG1 4.49Å; I409-L471 HydrophobicContact CD1-CB 4.21Å; I409-L471 HydrophobicContact CD1-CD2 3.69Å; I409-A474 HydrophobicContact CB-CB 4.14Å; I409-A474 HydrophobicContact CD1-CB 3.65Å; I409-A474 HydrophobicContact CG2-CB 4.06Å
410	H	98.1	Very high	96.4	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-55.9	-39	177.7	-85.1	-135.2	0	0	0	112.1	W406 N407 M412 F413 G414 I415 Y417 A474 Q477	W406-H410 AromaticContact CD1-CD2 3.86Å; W406-H410 AromaticContact CD1-NE2 3.86Å; W406-H410 AromaticContact CE2-NE2 4Å; W406-H410 AromaticContact NE1-CD2 3.75Å; W406-H410 AromaticContact NE1-CE1 3.56Å; W406-H410 AromaticContact NE1-NE2 3.26Å; W406-H410 PolarHBondContact NE1-NE2 3.06Å; W406-H410 PolarHBondContact O-N 3.46Å; N407-H410 PolarHBondContact O-N 2.86Å; H410-M412 PolarHBondContact O-N 3.48Å; H410-F413 CarbonylContact O-C 3.39Å; H410-F413 WeakPolarHBondContact O-CA 3.47Å; H410-F413 PolarHBondContact O-N 3.37Å; H410-F413 VanDerWaalsContact O-N 3.14Å; H410-G414 PolarHBondContact O-N 2.81Å; H410-I415 CarbonylContact C-O 3.39Å; H410-I415 HydrophobicContact CB-CB 3.93Å; H410-I415 HydrophobicContact CB-CG2 4.22Å; H410-I415 WeakPolarHBondContact ND1-CG2 3.46Å; H410-I415 PolarHBondContact O-N 3.05Å; H410-Y417 HydrophobicContact CB-CE2 4.29Å; H410-Y417 PolarHBondContact CE1-OH 3.09Å; H410-Y417 AromaticContact ND1-CE2 3.41Å; H410-Y417 WeakPolarHBondContact ND1-CE2 3.29Å; H410-Y417 AromaticContact ND1-CZ 3.89Å; H410-Y417 PolarHBondContact ND1-OH 3.46Å; H410-A474 PolarHBondContact NE2-O 3.19Å; H410-Q477 PolarHBondContact CE1-OE1 2.85Å; H410-Q477 PolarHBondContact NE2-OE1 2.84Å
411	C	96.3	Very high	96.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.2	-45.9	174.2	-171.5	0	0	0	0	112.7	F301 K305 N407 Y408 I409 F413 G414 Y422	F301-C411 HydrophobicContact CE2-CB 4.16Å; K305-C411 PolarHBondContact N-SG 3.22Å; N407-C411 WeakPolarHBondContact O-CB 3.18Å; N407-C411 PolarHBondContact O-N 3.17Å; Y408-C411 WeakPolarHBondContact O-CB 3.15Å; Y408-C411 PolarHBondContact O-N 3.48Å; I409-C411 PolarHBondContact O-N 3.31Å; C411-F413 PolarHBondContact O-N 3.08Å; C411-G414 PolarHBondContact O-N 3.44Å; C411-Y422 HydrophobicContact CB-CD1 4.17Å; C411-Y422 HydrophobicContact CB-CE1 3.86Å
412	M	94.6	Very high	96.4	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-59.6	-34.5	175.5	-69.5	-170.8	-68.4	0	0	112.2	Y408 I409 H410 G414 I437 K438 V441	Y408-M412 HydrophobicContact CD1-CE 4.08Å; Y408-M412 HydrophobicContact CE1-CE 3.84Å; Y408-M412 HydrophobicContact CE1-SD 3.91Å; Y408-M412 HydrophobicContact CE2-CG 4.28Å; Y408-M412 HydrophobicContact CE2-SD 4.45Å; Y408-M412 WeakPolarHBondContact O-CG 3.35Å; Y408-M412 PolarHBondContact O-N 3.27Å; I409-M412 HydrophobicContact CB-CE 4.42Å; I409-M412 HydrophobicContact CG1-CE 4.15Å; I409-M412 WeakPolarHBondContact O-CB 3.36Å; I409-M412 PolarHBondContact O-N 3.27Å; H410-M412 PolarHBondContact O-N 3.48Å; M412-G414 VanDerWaalsContact C-N 3.29Å; M412-G414 PolarHBondContact O-N 3.01Å; M412-I437 HydrophobicContact CE-CG2 3.85Å; M412-K438 HydrophobicContact SD-CB 3.81Å; M412-K438 HydrophobicContact SD-CD 4.24Å; M412-K438 HydrophobicContact SD-CG 3.77Å; M412-V441 HydrophobicContact CE-CG2 3.51Å
413	F	96	Very high	96.3	Very high	3 Å²	3	14.3 Å²	14.3	1%	0.013	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	4.2	174.8	-74.1	-85.8	0	0	0	113.7	P175 W176 I409 H410 C411 I415 V441 R475 A478 Y482	P175-F413 HydrophobicContact CG-CD1 3.55Å; P175-F413 HydrophobicContact CG-CE1 3.78Å; W176-F413 AromaticContact CE3-CD1 3.97Å; W176-F413 HydrophobicContact CE3-CD1 3.97Å; W176-F413 AromaticContact CZ3-CD1 3.6Å; W176-F413 HydrophobicContact CZ3-CD1 3.6Å; W176-F413 HydrophobicContact CZ3-CE1 4.12Å; W176-F413 HydrophobicContact CZ3-CG 4.36Å; I409-F413 HydrophobicContact CG2-CD2 3.95Å; I409-F413 HydrophobicContact CG2-CE2 3.95Å; I409-F413 VanDerWaalsContact O-CD2 3.29Å; I409-F413 WeakPolarHBondContact O-CD2 3.39Å; I409-F413 PolarHBondContact O-N 2.9Å; I409-F413 VanDerWaalsContact O-N 3.14Å; H410-F413 CarbonylContact O-C 3.39Å; H410-F413 WeakPolarHBondContact O-CA 3.47Å; H410-F413 PolarHBondContact O-N 3.37Å; H410-F413 VanDerWaalsContact O-N 3.14Å; C411-F413 PolarHBondContact O-N 3.08Å; F413-I415 HydrophobicContact CB-CD1 4.43Å; F413-V441 HydrophobicContact CE2-CG2 4.34Å; F413-R475 HydrophobicContact CZ-CG 4.37Å; F413-A478 HydrophobicContact CB-CB 4.2Å; F413-A478 HydrophobicContact CD2-CB 4.27Å; F413-A478 HydrophobicContact CG-CB 4.11Å; F413-Y482 HydrophobicContact CB-CE2 4.45Å; F413-Y482 WeakPolarHBondContact O-CE2 3.46Å; F413-Y482 PolarHBondContact O-OH 3Å
414	G	95.6	Very high	96.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	22.5	178.6	0	0	0	0	0	114.8	T348 F349 H410 C411 M412	T348-G414 WeakPolarHBondContact CG2-O 3.43Å; F349-G414 PolarHBondContact N-O 3.01Å; H410-G414 PolarHBondContact O-N 2.81Å; C411-G414 PolarHBondContact O-N 3.44Å; M412-G414 VanDerWaalsContact C-N 3.29Å; M412-G414 PolarHBondContact O-N 3.01Å
415	I	97.4	Very high	96	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.5	176.4	-59.4	169.8	0	0	0	109.2	F349 V351 H410 F413 Y417 Y422 A478 L481 Y482	F349-I415 HydrophobicContact CB-CG1 4Å; F349-I415 HydrophobicContact CD1-CB 4.47Å; F349-I415 HydrophobicContact CD1-CG1 4.16Å; F349-I415 HydrophobicContact CD1-CG2 3.95Å; F349-I415 HydrophobicContact CE1-CG2 4.49Å; F349-I415 HydrophobicContact CG-CG1 4.1Å; F349-I415 CarbonylContact O-C 3.55Å; F349-I415 WeakPolarHBondContact O-CA 3.38Å; V351-I415 HydrophobicContact CG2-CG2 3.53Å; H410-I415 CarbonylContact C-O 3.39Å; H410-I415 HydrophobicContact CB-CB 3.93Å; H410-I415 HydrophobicContact CB-CG2 4.22Å; H410-I415 WeakPolarHBondContact ND1-CG2 3.46Å; H410-I415 PolarHBondContact O-N 3.05Å; F413-I415 HydrophobicContact CB-CD1 4.43Å; I415-Y417 HydrophobicContact CG2-CE2 4.47Å; I415-Y422 PolarHBondContact O-OH 2.94Å; I415-A478 HydrophobicContact CD1-CB 3.6Å; I415-L481 HydrophobicContact CD1-CD1 4.08Å; I415-Y482 HydrophobicContact CD1-CD2 4.39Å; I415-Y482 HydrophobicContact CD1-CE2 3.86Å; I415-Y482 HydrophobicContact CG1-CE2 3.82Å
416	R	96.8	Very high	95.7	Very high	34 Å²	34	16 Å²	16	13%	0.128	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.1	-177	-168.6	-178.9	75.6	-167.4	5.7	112.2	F301 T348 F349 R350 V351 D418 Y422	F301-R416 HydrophobicContact CB-CG 4.18Å; F301-R416 HydrophobicContact CD1-CB 4.35Å; F301-R416 HydrophobicContact CD1-CG 4.1Å; F301-R416 HydrophobicContact CD2-CB 3.93Å; F301-R416 HydrophobicContact CD2-CG 3.64Å; F301-R416 HydrophobicContact CE1-CB 4.15Å; F301-R416 HydrophobicContact CE1-CG 4.41Å; F301-R416 HydrophobicContact CE2-CB 3.68Å; F301-R416 HydrophobicContact CE2-CG 3.95Å; F301-R416 HydrophobicContact CG-CB 4.24Å; F301-R416 HydrophobicContact CG-CG 3.69Å; F301-R416 HydrophobicContact CZ-CB 3.8Å; F301-R416 HydrophobicContact CZ-CG 4.33Å; T348-R416 HydrophobicContact CG2-CB 3.69Å; F349-R416 PolarHBondContact O-N 2.77Å; R350-R416 VanDerWaalsContact NE-NH2 3.16Å; V351-R416 WeakPolarHBondContact CG2-O 3.46Å; V351-R416 PolarHBondContact N-O 3.29Å; R416-D418 IonicContact CZ-OD1 2.78Å; R416-D418 VanDerWaalsContact CZ-OD1 3.23Å; R416-D418 IonicContact NE-OD1 2.63Å; R416-D418 PolarHBondContact NE-OD1 3.07Å; R416-D418 IonicContact NH2-OD1 2.73Å; R416-D418 PolarHBondContact NH2-OD1 3.31Å; R416-Y422 WeakPolarHBondContact CA-OH 3.48Å; R416-Y422 HydrophobicContact CG-CE2 3.92Å
417	Y	96.5	Very high	95.5	Very high	38 Å²	38	20.3 Å²	20.3	15%	0.149	11%	0.105	C	C	.	.			trans	-97.7	119.6	165.2	-69.2	-95.9	0	0	0	108.8	V351 N407 H410 I415 D419 Y420 Y422	V351-Y417 HydrophobicContact CB-CD1 3.97Å; V351-Y417 HydrophobicContact CB-CE1 4.04Å; V351-Y417 HydrophobicContact CB-CG 4.38Å; V351-Y417 HydrophobicContact CG1-CD1 3.87Å; V351-Y417 HydrophobicContact CG1-CE1 3.61Å; V351-Y417 HydrophobicContact CG2-CD1 3.87Å; V351-Y417 HydrophobicContact CG2-CD2 3.99Å; V351-Y417 HydrophobicContact CG2-CE1 3.73Å; V351-Y417 HydrophobicContact CG2-CE2 3.88Å; V351-Y417 HydrophobicContact CG2-CG 3.99Å; N407-Y417 WeakPolarHBondContact OD1-CD2 3.25Å; H410-Y417 HydrophobicContact CB-CE2 4.29Å; H410-Y417 PolarHBondContact CE1-OH 3.09Å; H410-Y417 AromaticContact ND1-CE2 3.41Å; H410-Y417 WeakPolarHBondContact ND1-CE2 3.29Å; H410-Y417 AromaticContact ND1-CZ 3.89Å; H410-Y417 PolarHBondContact ND1-OH 3.46Å; I415-Y417 HydrophobicContact CG2-CE2 4.47Å; Y417-D419 WeakPolarHBondContact CB-OD1 3.22Å; Y417-D419 PolarHBondContact O-N 2.92Å; Y417-Y420 PolarHBondContact O-N 3.08Å; Y417-Y422 PolarHBondContact N-OH 2.71Å
418	D	92.9	Very high	95.3	Very high	20 Å²	20	20.2 Å²	20.2	11%	0.107	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10	178.5	-59.1	-32.2	0	0	0	114	M297 R350 Q352 R416	M297-D418 VanDerWaalsContact SD-O 3.38Å; R350-D418 IonicContact CZ-OD2 3.36Å; R350-D418 IonicContact NE-OD1 3.64Å; R350-D418 IonicContact NE-OD2 3.3Å; R350-D418 PolarHBondContact NE-OD2 3.24Å; R350-D418 IonicContact NH2-OD1 3.66Å; R350-D418 IonicContact NH2-OD2 2.65Å; R350-D418 PolarHBondContact NH2-OD2 2.79Å; Q352-D418 HydrophobicContact CG-CB 4.27Å; Q352-D418 WeakPolarHBondContact CG-OD2 3.4Å; Q352-D418 PolarHBondContact OE1-OD2 3Å; R416-D418 IonicContact CZ-OD1 2.78Å; R416-D418 VanDerWaalsContact CZ-OD1 3.23Å; R416-D418 IonicContact NE-OD1 2.63Å; R416-D418 PolarHBondContact NE-OD1 3.07Å; R416-D418 IonicContact NH2-OD1 2.73Å; R416-D418 PolarHBondContact NH2-OD1 3.31Å
419	D	92.2	Very high	95.2	Very high	99 Å²	99	20.5 Å²	20.5	53%	0.529	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	13.2	177.8	67.3	-49.7	0	0	0	113	R403 Y417	R403-D419 PolarHBondContact NH2-O 3.18Å; R403-D419 IonicContact NH2-OD2 2.84Å; Y417-D419 WeakPolarHBondContact CB-OD1 3.22Å; Y417-D419 PolarHBondContact O-N 2.92Å
420	Y	95.1	Very high	95	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.			trans	-119.8	131.6	179.4	-173.3	-113.1	0	0	0	112.8	R403 A404 N407 Y417 Y422 E424 I425	R403-Y420 HydrophobicContact CG-CD2 4.16Å; R403-Y420 HydrophobicContact CG-CE2 3.84Å; A404-Y420 WeakPolarHBondContact CA-OH 3.49Å; N407-Y420 HydrophobicContact CB-CD1 3.5Å; N407-Y420 HydrophobicContact CB-CE1 3.33Å; N407-Y420 HydrophobicContact CB-CG 4.25Å; N407-Y420 VanDerWaalsContact CG-CD1 3.45Å; Y417-Y420 PolarHBondContact O-N 3.08Å; Y420-Y422 HydrophobicContact CD1-CD1 4.01Å; Y420-Y422 AromaticContact CD1-CD2 3.88Å; Y420-Y422 HydrophobicContact CD1-CD2 3.88Å; Y420-Y422 AromaticContact CD1-CE1 3.94Å; Y420-Y422 HydrophobicContact CD1-CE1 3.94Å; Y420-Y422 AromaticContact CD1-CE2 3.86Å; Y420-Y422 HydrophobicContact CD1-CE2 3.86Å; Y420-Y422 AromaticContact CD1-CG 3.96Å; Y420-Y422 HydrophobicContact CD1-CG 3.96Å; Y420-Y422 AromaticContact CD1-CZ 3.87Å; Y420-Y422 HydrophobicContact CE1-CD1 4.22Å; Y420-Y422 HydrophobicContact CE1-CE1 4.41Å; Y420-Y422 HydrophobicContact CE1-CG 4.32Å; Y420-Y422 WeakPolarHBondContact O-CD2 3.42Å; Y420-Y422 PolarHBondContact O-N 3.08Å; Y420-E424 WeakPolarHBondContact CE2-OE2 3.37Å; Y420-E424 WeakPolarHBondContact OH-CB 3.47Å; Y420-E424 PolarHBondContact OH-OE2 3.3Å; Y420-E424 VanDerWaalsContact OH-OE2 3.09Å; Y420-I425 HydrophobicContact CE1-CD1 3.9Å; Y420-I425 HydrophobicContact CE1-CG1 3.96Å
421	D	94.7	Very high	94.8	Very high	29 Å²	29	31.5 Å²	31.5	16%	0.155	15%	0.152	C	C	.	.			trans	-85.9	98.1	172.7	-177.1	6	0	0	0	111	R300 G423 E424	R300-D421 WeakPolarHBondContact CD-OD1 3.41Å; R300-D421 IonicContact CZ-OD1 3.98Å; R300-D421 IonicContact CZ-OD2 3.55Å; R300-D421 IonicContact NE-OD1 2.94Å; R300-D421 IonicContact NH1-OD1 3.35Å; R300-D421 PolarHBondContact NH1-OD1 2.98Å; R300-D421 IonicContact NH1-OD2 3.82Å; R300-D421 PolarHBondContact NH1-OD2 2.84Å; D421-G423 PolarHBondContact O-N 3.33Å; D421-G423 PolarHBondContact OD1-N 3.31Å; D421-E424 HydrophobicContact CB-CG 4.27Å; D421-E424 WeakPolarHBondContact O-CB 3.43Å; D421-E424 WeakPolarHBondContact O-CG 3.21Å; D421-E424 PolarHBondContact O-N 3.49Å
422	Y	95.6	Very high	94.6	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.1	177.7	-71.2	-93.5	0	0	0	113.7	F301 N407 C411 I415 R416 Y417 Y420 E424 I425	F301-Y422 HydrophobicContact CB-CD2 3.68Å; F301-Y422 HydrophobicContact CB-CE2 4.05Å; F301-Y422 HydrophobicContact CB-CG 3.97Å; F301-Y422 AromaticContact CD2-CD1 3.86Å; F301-Y422 HydrophobicContact CD2-CD1 3.86Å; F301-Y422 HydrophobicContact CD2-CD2 4.01Å; F301-Y422 AromaticContact CD2-CE1 3.59Å; F301-Y422 HydrophobicContact CD2-CE1 3.59Å; F301-Y422 AromaticContact CD2-CE2 3.71Å; F301-Y422 HydrophobicContact CD2-CE2 3.71Å; F301-Y422 HydrophobicContact CD2-CG 4.09Å; F301-Y422 AromaticContact CD2-CZ 3.5Å; F301-Y422 HydrophobicContact CE2-CE1 4.14Å; F301-Y422 HydrophobicContact CG-CD2 4.35Å; F301-Y422 HydrophobicContact CG-CE2 4.31Å; N407-Y422 HydrophobicContact CB-CE1 4.2Å; C411-Y422 HydrophobicContact CB-CD1 4.17Å; C411-Y422 HydrophobicContact CB-CE1 3.86Å; I415-Y422 PolarHBondContact O-OH 2.94Å; R416-Y422 WeakPolarHBondContact CA-OH 3.48Å; R416-Y422 HydrophobicContact CG-CE2 3.92Å; Y417-Y422 PolarHBondContact N-OH 2.71Å; Y420-Y422 HydrophobicContact CD1-CD1 4.01Å; Y420-Y422 AromaticContact CD1-CD2 3.88Å; Y420-Y422 HydrophobicContact CD1-CD2 3.88Å; Y420-Y422 AromaticContact CD1-CE1 3.94Å; Y420-Y422 HydrophobicContact CD1-CE1 3.94Å; Y420-Y422 AromaticContact CD1-CE2 3.86Å; Y420-Y422 HydrophobicContact CD1-CE2 3.86Å; Y420-Y422 AromaticContact CD1-CG 3.96Å; Y420-Y422 HydrophobicContact CD1-CG 3.96Å; Y420-Y422 AromaticContact CD1-CZ 3.87Å; Y420-Y422 HydrophobicContact CE1-CD1 4.22Å; Y420-Y422 HydrophobicContact CE1-CE1 4.41Å; Y420-Y422 HydrophobicContact CE1-CG 4.32Å; Y420-Y422 WeakPolarHBondContact O-CD2 3.42Å; Y420-Y422 PolarHBondContact O-N 3.08Å; Y422-E424 PolarHBondContact O-N 3.41Å; Y422-I425 HydrophobicContact CD1-CD1 3.58Å; Y422-I425 HydrophobicContact CE1-CD1 4.23Å; Y422-I425 HydrophobicContact CG-CD1 4.41Å; Y422-I425 PolarHBondContact O-N 3.41Å
423	G	93.8	Very high	94.7	Very high	21 Å²	21	33.6 Å²	33.6	22%	0.216	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-27.7	170.5	0	0	0	0	0	113.2	D421 I425 N426	D421-G423 PolarHBondContact O-N 3.33Å; D421-G423 PolarHBondContact OD1-N 3.31Å; G423-I425 VanDerWaalsContact C-N 3.27Å; G423-I425 PolarHBondContact O-N 3.25Å; G423-N426 PolarHBondContact O-N 3.31Å
424	E	94.2	Very high	94.7	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-34.6	177	-66.2	177.7	-171.8	0	0	112.3	L283 Y420 D421 Y422 N426 Q427 L428	L283-E424 HydrophobicContact CD1-CB 4.45Å; L283-E424 HydrophobicContact CD1-CG 4.41Å; L283-E424 HydrophobicContact CD2-CG 4.48Å; Y420-E424 WeakPolarHBondContact CE2-OE2 3.37Å; Y420-E424 WeakPolarHBondContact OH-CB 3.47Å; Y420-E424 PolarHBondContact OH-OE2 3.3Å; Y420-E424 VanDerWaalsContact OH-OE2 3.09Å; D421-E424 HydrophobicContact CB-CG 4.27Å; D421-E424 WeakPolarHBondContact O-CB 3.43Å; D421-E424 WeakPolarHBondContact O-CG 3.21Å; D421-E424 PolarHBondContact O-N 3.49Å; Y422-E424 PolarHBondContact O-N 3.41Å; E424-N426 VanDerWaalsContact C-N 3.33Å; E424-N426 PolarHBondContact O-N 3.41Å; E424-Q427 WeakPolarHBondContact O-CB 3.49Å; E424-Q427 PolarHBondContact O-N 3.1Å; E424-L428 HydrophobicContact CB-CD1 4.33Å; E424-L428 WeakPolarHBondContact O-CB 3.48Å; E424-L428 WeakPolarHBondContact O-CG 3.38Å; E424-L428 PolarHBondContact O-N 2.79Å
425	I	96	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-44.8	-176.9	-67.9	167.4	0	0	0	110.9	E304 A404 N407 Y408 Y420 Y422 G423 Q427 L428 L429	E304-I425 HydrophobicContact CG-CB 4.39Å; E304-I425 HydrophobicContact CG-CD1 4.01Å; E304-I425 HydrophobicContact CG-CG2 4.19Å; E304-I425 WeakPolarHBondContact OE2-CG2 3.38Å; A404-I425 HydrophobicContact CB-CG1 4.4Å; N407-I425 HydrophobicContact CB-CD1 4.35Å; Y408-I425 HydrophobicContact CD2-CG2 3.72Å; Y408-I425 HydrophobicContact CG-CG2 4.04Å; Y420-I425 HydrophobicContact CE1-CD1 3.9Å; Y420-I425 HydrophobicContact CE1-CG1 3.96Å; Y422-I425 HydrophobicContact CD1-CD1 3.58Å; Y422-I425 HydrophobicContact CE1-CD1 4.23Å; Y422-I425 HydrophobicContact CG-CD1 4.41Å; Y422-I425 PolarHBondContact O-N 3.41Å; G423-I425 VanDerWaalsContact C-N 3.27Å; G423-I425 PolarHBondContact O-N 3.25Å; I425-Q427 PolarHBondContact O-N 2.81Å; I425-L428 PolarHBondContact O-N 3.37Å; I425-L429 HydrophobicContact CG2-CB 4.49Å; I425-L429 HydrophobicContact CG2-CD1 3.96Å; I425-L429 HydrophobicContact CG2-CG 4.21Å; I425-L429 WeakPolarHBondContact O-CB 3.45Å; I425-L429 PolarHBondContact O-N 3.49Å
426	N	91.9	Very high	94.7	Very high	70 Å²	70	34.8 Å²	34.8	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-67.4	-23.7	178.4	-89.3	-33.8	0	0	0	113.5	E304 E307 G423 E424 K434	E304-N426 VanDerWaalsContact OE2-CG 3.24Å; E304-N426 PolarHBondContact OE2-ND2 3.05Å; E304-N426 PolarHBondContact OE2-OD1 3.3Å; E307-N426 PolarHBondContact OE2-ND2 3.17Å; E307-N426 PolarHBondContact OE2-OD1 2.92Å; G423-N426 PolarHBondContact O-N 3.31Å; E424-N426 VanDerWaalsContact C-N 3.33Å; E424-N426 PolarHBondContact O-N 3.41Å; N426-K434 PolarHBondContact OD1-NZ 3.45Å
427	Q	92.9	Very high	94.7	Very high	96 Å²	96	33.2 Å²	33.2	45%	0.449	17%	0.167	S	C	.	.	H	α-helix	trans	-81.1	-40.6	176.4	-64	-65.5	-11.3	0	0	111.4	K279 L283 E424 I425	K279-Q427 WeakPolarHBondContact CD-O 3.3Å; K279-Q427 PolarHBondContact NZ-O 3.14Å; L283-Q427 HydrophobicContact CD1-CB 3.95Å; L283-Q427 HydrophobicContact CD2-CG 4.39Å; E424-Q427 WeakPolarHBondContact O-CB 3.49Å; E424-Q427 PolarHBondContact O-N 3.1Å; I425-Q427 PolarHBondContact O-N 2.81Å
428	L	95.4	Very high	94.7	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-92.5	-32.9	-170.4	-64.2	174.7	0	0	0	114	L276 M280 L283 M400 L401 A404 E424 I425	L276-L428 HydrophobicContact CD1-CB 4.41Å; L276-L428 HydrophobicContact CD1-CD2 3.86Å; L276-L428 WeakPolarHBondContact CD1-O 3.42Å; M280-L428 HydrophobicContact CG-CD2 3.46Å; M280-L428 VanDerWaalsContact CG-CD2 3.46Å; L283-L428 HydrophobicContact CD1-CD1 4.13Å; L283-L428 HydrophobicContact CD1-CD2 3.87Å; L283-L428 HydrophobicContact CD1-CG 3.84Å; M400-L428 HydrophobicContact CB-CD1 4.36Å; L401-L428 HydrophobicContact CD1-CB 4.2Å; A404-L428 HydrophobicContact CB-CB 4.33Å; A404-L428 HydrophobicContact CB-CD1 3.78Å; E424-L428 HydrophobicContact CB-CD1 4.33Å; E424-L428 WeakPolarHBondContact O-CB 3.48Å; E424-L428 WeakPolarHBondContact O-CG 3.38Å; E424-L428 PolarHBondContact O-N 2.79Å; I425-L428 PolarHBondContact O-N 3.37Å
429	L	95.7	Very high	94.9	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	16%	0.164	C	C	.	.	S	Bend	trans	-107.5	110.1	-176.1	-47.9	-168.2	0	0	0	110.3	L401 A404 I405 Y408 I425 F433 K434 I437 W456	L401-L429 HydrophobicContact CD1-CD2 3.86Å; A404-L429 HydrophobicContact CB-CD2 4.41Å; I405-L429 HydrophobicContact CG1-CD1 4.49Å; I405-L429 HydrophobicContact CG1-CD2 3.99Å; Y408-L429 HydrophobicContact CD1-CD1 3.99Å; Y408-L429 HydrophobicContact CG-CD1 3.96Å; I425-L429 HydrophobicContact CG2-CB 4.49Å; I425-L429 HydrophobicContact CG2-CD1 3.96Å; I425-L429 HydrophobicContact CG2-CG 4.21Å; I425-L429 WeakPolarHBondContact O-CB 3.45Å; I425-L429 PolarHBondContact O-N 3.49Å; L429-F433 HydrophobicContact CB-CD1 4.38Å; L429-F433 HydrophobicContact CD2-CD1 3.88Å; L429-F433 HydrophobicContact CD2-CE1 3.82Å; L429-K434 HydrophobicContact CB-CG 3.91Å; L429-K434 WeakPolarHBondContact O-CE 3.22Å; L429-I437 HydrophobicContact CD1-CD1 4.01Å; L429-W456 HydrophobicContact CD2-CZ2 4.48Å
430	D	93.3	Very high	95.2	Very high	63 Å²	63	27.4 Å²	27.4	34%	0.337	14%	0.138	S	C	.	.			trans	-69.2	170	174.6	69.2	38.8	0	0	0	112.4	S432 F433 K434	D430-S432 PolarHBondContact O-N 3.03Å; D430-S432 PolarHBondContact OD1-N 3.28Å; D430-S432 VanDerWaalsContact OD1-N 3.14Å; D430-S432 PolarHBondContact OD1-OG 3.11Å; D430-F433 PolarHBondContact O-N 3.29Å; D430-F433 VanDerWaalsContact OD1-CB 3.26Å; D430-F433 WeakPolarHBondContact OD1-CB 3.44Å; D430-F433 PolarHBondContact OD1-N 2.99Å; D430-K434 WeakPolarHBondContact O-CB 3.38Å; D430-K434 WeakPolarHBondContact O-CG 3.39Å; D430-K434 PolarHBondContact O-N 3.44Å
431	R	93.1	Very high	95.3	Very high	169 Å²	169	27.4 Å²	27.4	64%	0.638	14%	0.139	S	C	*	.	H	α-helix	trans	-63.8	-41.6	-176.7	-176.3	174.9	178.8	164.7	2.3	113	F433 K434 V435	R431-F433 VanDerWaalsContact C-N 3.3Å; R431-F433 PolarHBondContact O-N 3.32Å; R431-K434 PolarHBondContact O-N 3.5Å; R431-V435 VanDerWaalsContact O-CG2 3.3Å; R431-V435 WeakPolarHBondContact O-CG2 3.29Å; R431-V435 PolarHBondContact O-N 2.77Å
432	S	93.2	Very high	95.3	Very high	45 Å²	45	26.2 Å²	26.2	32%	0.315	13%	0.132	S	C	.	.	H	α-helix	trans	-67.2	-37.4	-177.4	49.4	0	0	0	0	110.7	D430 V435 Y436	D430-S432 PolarHBondContact O-N 3.03Å; D430-S432 PolarHBondContact OD1-N 3.28Å; D430-S432 VanDerWaalsContact OD1-N 3.14Å; D430-S432 PolarHBondContact OD1-OG 3.11Å; S432-V435 PolarHBondContact O-N 3.31Å; S432-Y436 PolarHBondContact O-N 3.2Å
433	F	95.7	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-71	-41.8	175.1	-171.1	-140.3	0	0	0	112.4	I405 L429 D430 R431 V435 Y436 I437 F455 W456 V467	I405-F433 HydrophobicContact CD1-CE1 3.93Å; I405-F433 HydrophobicContact CD1-CZ 3.89Å; I405-F433 HydrophobicContact CG1-CE1 3.81Å; I405-F433 HydrophobicContact CG1-CZ 4.08Å; L429-F433 HydrophobicContact CB-CD1 4.38Å; L429-F433 HydrophobicContact CD2-CD1 3.88Å; L429-F433 HydrophobicContact CD2-CE1 3.82Å; D430-F433 PolarHBondContact O-N 3.29Å; D430-F433 VanDerWaalsContact OD1-CB 3.26Å; D430-F433 WeakPolarHBondContact OD1-CB 3.44Å; D430-F433 PolarHBondContact OD1-N 2.99Å; R431-F433 VanDerWaalsContact C-N 3.3Å; R431-F433 PolarHBondContact O-N 3.32Å; F433-V435 VanDerWaalsContact C-N 3.27Å; F433-V435 PolarHBondContact O-N 3.43Å; F433-Y436 HydrophobicContact CD2-CD1 4.21Å; F433-Y436 HydrophobicContact CE2-CD1 4.11Å; F433-Y436 WeakPolarHBondContact O-CB 3.4Å; F433-Y436 PolarHBondContact O-N 2.97Å; F433-Y436 VanDerWaalsContact O-N 3.13Å; F433-I437 HydrophobicContact CD1-CD1 3.86Å; F433-I437 HydrophobicContact CD2-CD1 4.16Å; F433-I437 HydrophobicContact CD2-CG1 4.03Å; F433-I437 HydrophobicContact CE1-CD1 3.57Å; F433-I437 HydrophobicContact CE1-CG1 4.32Å; F433-I437 HydrophobicContact CE2-CD1 3.89Å; F433-I437 HydrophobicContact CE2-CG1 3.7Å; F433-I437 HydrophobicContact CG-CD1 4.15Å; F433-I437 HydrophobicContact CG-CG1 4.47Å; F433-I437 HydrophobicContact CZ-CD1 3.59Å; F433-I437 HydrophobicContact CZ-CG1 3.87Å; F433-I437 WeakPolarHBondContact O-CG1 3.43Å; F433-I437 PolarHBondContact O-N 3.46Å; F433-F455 HydrophobicContact CB-CB 3.93Å; F433-F455 HydrophobicContact CD2-CB 3.88Å; F433-F455 HydrophobicContact CD2-CD1 4.3Å; F433-F455 AromaticContact CD2-CD2 3.36Å; F433-F455 HydrophobicContact CD2-CD2 3.36Å; F433-F455 AromaticContact CD2-CE2 3.93Å; F433-F455 HydrophobicContact CD2-CE2 3.93Å; F433-F455 AromaticContact CD2-CG 3.6Å; F433-F455 HydrophobicContact CD2-CG 3.6Å; F433-F455 AromaticContact CE2-CD2 3.63Å; F433-F455 HydrophobicContact CE2-CD2 3.63Å; F433-F455 AromaticContact CE2-CE2 3.69Å; F433-F455 HydrophobicContact CE2-CE2 3.69Å; F433-F455 HydrophobicContact CE2-CG 4.22Å; F433-F455 HydrophobicContact CE2-CZ 4.31Å; F433-F455 HydrophobicContact CG-CB 4.27Å; F433-F455 HydrophobicContact CG-CD2 4.2Å; F433-F455 HydrophobicContact CG-CG 4.42Å; F433-W456 HydrophobicContact CD1-CD2 4.47Å; F433-W456 AromaticContact CD1-CE2 3.8Å; F433-W456 AromaticContact CD1-CH2 3.68Å; F433-W456 HydrophobicContact CD1-CH2 3.68Å; F433-W456 AromaticContact CD1-CZ2 3.35Å; F433-W456 HydrophobicContact CD1-CZ2 3.35Å; F433-W456 HydrophobicContact CD1-CZ3 4.34Å; F433-W456 HydrophobicContact CE1-CD2 4.5Å; F433-W456 HydrophobicContact CE1-CE3 4.29Å; F433-W456 AromaticContact CE1-CH2 3.03Å; F433-W456 HydrophobicContact CE1-CH2 3.03Å; F433-W456 AromaticContact CE1-CZ2 3.25Å; F433-W456 HydrophobicContact CE1-CZ2 3.25Å; F433-W456 AromaticContact CE1-CZ3 3.6Å; F433-W456 HydrophobicContact CE1-CZ3 3.6Å; F433-W456 HydrophobicContact CE2-CE3 4.47Å; F433-W456 HydrophobicContact CE2-CH2 4.49Å; F433-W456 HydrophobicContact CE2-CZ3 4.29Å; F433-W456 HydrophobicContact CG-CZ2 4.24Å; F433-W456 HydrophobicContact CZ-CE3 4.18Å; F433-W456 AromaticContact CZ-CH2 3.53Å; F433-W456 HydrophobicContact CZ-CH2 3.53Å; F433-W456 HydrophobicContact CZ-CZ2 4.08Å; F433-W456 AromaticContact CZ-CZ3 3.57Å; F433-W456 HydrophobicContact CZ-CZ3 3.57Å; F433-V467 HydrophobicContact CE2-CG1 3.76Å; F433-V467 HydrophobicContact CZ-CG1 3.62Å
434	K	96.4	Very high	95.4	Very high	10 Å²	10	26.4 Å²	26.4	4%	0.043	13%	0.129	C	C	.	.	H	α-helix	trans	-56.9	-41	171.6	-77.3	-171.3	179	-160.8	0	112.1	E304 V311 Y408 N426 L429 D430 R431 K438	E304-K434 IonicContact OE1-NZ 3.23Å; E304-K434 PolarHBondContact OE1-NZ 3.19Å; E304-K434 IonicContact OE2-NZ 3.37Å; E304-K434 PolarHBondContact OE2-NZ 2.83Å; V311-K434 HydrophobicContact CG1-CB 4Å; V311-K434 HydrophobicContact CG2-CB 4.33Å; V311-K434 HydrophobicContact CG2-CD 4.49Å; Y408-K434 HydrophobicContact CE1-CB 4.16Å; Y408-K434 HydrophobicContact CE1-CG 4.01Å; Y408-K434 HydrophobicContact CE2-CD 4.12Å; Y408-K434 HydrophobicContact CE2-CG 4.25Å; N426-K434 PolarHBondContact OD1-NZ 3.45Å; L429-K434 HydrophobicContact CB-CG 3.91Å; L429-K434 WeakPolarHBondContact O-CE 3.22Å; D430-K434 WeakPolarHBondContact O-CB 3.38Å; D430-K434 WeakPolarHBondContact O-CG 3.39Å; D430-K434 PolarHBondContact O-N 3.44Å; R431-K434 PolarHBondContact O-N 3.5Å; K434-K438 WeakPolarHBondContact O-CB 3.47Å; K434-K438 PolarHBondContact O-N 3.27Å
435	V	95.7	Very high	95.4	Very high	18 Å²	18	27.6 Å²	27.6	11%	0.109	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-49.2	173.7	169.5	0	0	0	0	110.5	V311 R431 S432 F433 I437 K438 T439 M451	V311-V435 HydrophobicContact CG1-CB 4.19Å; V311-V435 HydrophobicContact CG1-CG2 3.54Å; R431-V435 VanDerWaalsContact O-CG2 3.3Å; R431-V435 WeakPolarHBondContact O-CG2 3.29Å; R431-V435 PolarHBondContact O-N 2.77Å; S432-V435 PolarHBondContact O-N 3.31Å; F433-V435 VanDerWaalsContact C-N 3.27Å; F433-V435 PolarHBondContact O-N 3.43Å; V435-I437 PolarHBondContact O-N 3.17Å; V435-K438 PolarHBondContact O-N 2.88Å; V435-T439 WeakPolarHBondContact O-CB 3.39Å; V435-T439 PolarHBondContact O-N 3.27Å; V435-T439 PolarHBondContact O-OG1 3.46Å; V435-M451 HydrophobicContact CG1-CE 3.57Å
436	Y	97.2	Very high	95.2	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-57.3	-51.1	177.8	176.8	-96.6	0	0	0	112.1	G218 S432 F433 K438 T439 V440 V447 M451 Y452 F455 N468 L471	G218-Y436 PolarHBondContact O-OH 2.58Å; S432-Y436 PolarHBondContact O-N 3.2Å; F433-Y436 HydrophobicContact CD2-CD1 4.21Å; F433-Y436 HydrophobicContact CE2-CD1 4.11Å; F433-Y436 WeakPolarHBondContact O-CB 3.4Å; F433-Y436 PolarHBondContact O-N 2.97Å; F433-Y436 VanDerWaalsContact O-N 3.13Å; Y436-K438 PolarHBondContact O-N 3.07Å; Y436-T439 PolarHBondContact O-N 3.41Å; Y436-V440 HydrophobicContact CD1-CG2 4.18Å; Y436-V440 HydrophobicContact CD2-CG2 4.2Å; Y436-V440 HydrophobicContact CE1-CG2 3.7Å; Y436-V440 HydrophobicContact CE2-CG2 3.75Å; Y436-V440 HydrophobicContact CG-CG2 4.4Å; Y436-V440 VanDerWaalsContact CZ-CG2 3.46Å; Y436-V440 WeakPolarHBondContact O-CG2 3.44Å; Y436-V440 PolarHBondContact O-N 2.85Å; Y436-V447 HydrophobicContact CE2-CG1 4.26Å; Y436-M451 HydrophobicContact CD2-CB 3.97Å; Y436-Y452 HydrophobicContact CE2-CD2 4.39Å; Y436-F455 AromaticContact CD1-CD1 3.77Å; Y436-F455 HydrophobicContact CD1-CD1 3.77Å; Y436-F455 AromaticContact CD1-CE1 3.43Å; Y436-F455 HydrophobicContact CD1-CE1 3.43Å; Y436-F455 VanDerWaalsContact CD1-CE1 3.43Å; Y436-F455 AromaticContact CD1-CZ 3.94Å; Y436-F455 HydrophobicContact CD1-CZ 3.94Å; Y436-F455 AromaticContact CD2-CD1 3.85Å; Y436-F455 HydrophobicContact CD2-CD1 3.85Å; Y436-F455 AromaticContact CD2-CE1 3.71Å; Y436-F455 HydrophobicContact CD2-CE1 3.71Å; Y436-F455 HydrophobicContact CE1-CD1 4.25Å; Y436-F455 AromaticContact CE1-CE1 3.44Å; Y436-F455 HydrophobicContact CE1-CE1 3.44Å; Y436-F455 VanDerWaalsContact CE1-CE1 3.44Å; Y436-F455 AromaticContact CE1-CZ 3.73Å; Y436-F455 HydrophobicContact CE1-CZ 3.73Å; Y436-F455 HydrophobicContact CE2-CD1 4.31Å; Y436-F455 AromaticContact CE2-CE1 3.7Å; Y436-F455 HydrophobicContact CE2-CE1 3.7Å; Y436-F455 AromaticContact CG-CD1 3.56Å; Y436-F455 HydrophobicContact CG-CD1 3.56Å; Y436-F455 AromaticContact CG-CE1 3.58Å; Y436-F455 HydrophobicContact CG-CE1 3.58Å; Y436-F455 HydrophobicContact CG-CG 4.48Å; Y436-F455 AromaticContact CZ-CE1 3.57Å; Y436-N468 PolarHBondContact OH-ND2 3.42Å; Y436-N468 PolarHBondContact OH-OD1 2.83Å; Y436-L471 HydrophobicContact CD1-CD1 4.41Å; Y436-L471 HydrophobicContact CE1-CD1 3.96Å
437	I	98	Very high	95.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-56.7	-51.7	179.3	-67	166.5	0	0	0	110.4	I405 Y408 I409 M412 L429 F433 V435 T439 V440 V441 L471	I405-I437 HydrophobicContact CG1-CD1 4.49Å; I405-I437 HydrophobicContact CG2-CD1 4.31Å; Y408-I437 HydrophobicContact CD1-CB 4.29Å; Y408-I437 HydrophobicContact CD1-CD1 3.96Å; Y408-I437 HydrophobicContact CD1-CG2 3.86Å; Y408-I437 HydrophobicContact CE1-CB 4.06Å; Y408-I437 HydrophobicContact CE1-CD1 4.31Å; Y408-I437 HydrophobicContact CE1-CG2 3.93Å; I409-I437 HydrophobicContact CD1-CG2 4.22Å; I409-I437 HydrophobicContact CG1-CG2 3.69Å; M412-I437 HydrophobicContact CE-CG2 3.85Å; L429-I437 HydrophobicContact CD1-CD1 4.01Å; F433-I437 HydrophobicContact CD1-CD1 3.86Å; F433-I437 HydrophobicContact CD2-CD1 4.16Å; F433-I437 HydrophobicContact CD2-CG1 4.03Å; F433-I437 HydrophobicContact CE1-CD1 3.57Å; F433-I437 HydrophobicContact CE1-CG1 4.32Å; F433-I437 HydrophobicContact CE2-CD1 3.89Å; F433-I437 HydrophobicContact CE2-CG1 3.7Å; F433-I437 HydrophobicContact CG-CD1 4.15Å; F433-I437 HydrophobicContact CG-CG1 4.47Å; F433-I437 HydrophobicContact CZ-CD1 3.59Å; F433-I437 HydrophobicContact CZ-CG1 3.87Å; F433-I437 WeakPolarHBondContact O-CG1 3.43Å; F433-I437 PolarHBondContact O-N 3.46Å; V435-I437 PolarHBondContact O-N 3.17Å; I437-T439 VanDerWaalsContact C-N 3.3Å; I437-T439 PolarHBondContact O-N 2.8Å; I437-V440 PolarHBondContact O-N 3.29Å; I437-V441 HydrophobicContact CG2-CG1 4.43Å; I437-V441 HydrophobicContact CG2-CG2 4.49Å; I437-V441 VanDerWaalsContact O-CG2 3.22Å; I437-V441 WeakPolarHBondContact O-CG2 3.45Å; I437-V441 PolarHBondContact O-N 3.48Å; I437-L471 HydrophobicContact CB-CD2 4.45Å; I437-L471 HydrophobicContact CD1-CD2 4.46Å; I437-L471 HydrophobicContact CG1-CD1 4.33Å; I437-L471 HydrophobicContact CG1-CD2 3.85Å; I437-L471 HydrophobicContact CG2-CD2 4.03Å
438	K	96.6	Very high	95.5	Very high	22 Å²	22	25.7 Å²	25.7	10%	0.096	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-43.3	-178.9	-173.1	174.2	-178.7	178.7	0	111.2	S308 V311 D338 M412 K434 V435 Y436 C442	S308-K438 PolarHBondContact O-NZ 2.98Å; V311-K438 HydrophobicContact CB-CD 4.22Å; V311-K438 HydrophobicContact CG1-CD 4.32Å; V311-K438 WeakPolarHBondContact O-CD 3.12Å; V311-K438 PolarHBondContact O-NZ 2.86Å; D338-K438 VanDerWaalsContact OD1-CE 3.22Å; D338-K438 WeakPolarHBondContact OD1-CE 3.36Å; D338-K438 IonicContact OD1-NZ 2.8Å; D338-K438 PolarHBondContact OD1-NZ 3.06Å; D338-K438 IonicContact OD2-NZ 2.77Å; D338-K438 PolarHBondContact OD2-NZ 3.12Å; M412-K438 HydrophobicContact SD-CB 3.81Å; M412-K438 HydrophobicContact SD-CD 4.24Å; M412-K438 HydrophobicContact SD-CG 3.77Å; K434-K438 WeakPolarHBondContact O-CB 3.47Å; K434-K438 PolarHBondContact O-N 3.27Å; V435-K438 PolarHBondContact O-N 2.88Å; Y436-K438 PolarHBondContact O-N 3.07Å; K438-C442 WeakPolarHBondContact O-CB 3.29Å; K438-C442 PolarHBondContact O-N 3.41Å; K438-C442 PolarHBondContact O-SG 2.95Å
439	T	96.2	Very high	95.4	Very high	13 Å²	13	28.5 Å²	28.5	8%	0.08	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-46.5	177.6	-58	0	0	0	0	111.7	V435 Y436 I437 V441 T443 P444 K446 V447 M451	V435-T439 WeakPolarHBondContact O-CB 3.39Å; V435-T439 PolarHBondContact O-N 3.27Å; V435-T439 PolarHBondContact O-OG1 3.46Å; Y436-T439 PolarHBondContact O-N 3.41Å; I437-T439 VanDerWaalsContact C-N 3.3Å; I437-T439 PolarHBondContact O-N 2.8Å; T439-V441 PolarHBondContact O-N 3.07Å; T439-T443 CarbonylContact O-C 3.55Å; T439-T443 WeakPolarHBondContact O-CA 3.36Å; T439-T443 PolarHBondContact O-N 3.24Å; T439-T443 VanDerWaalsContact O-O 3.05Å; T439-P444 WeakPolarHBondContact O-CA 3.46Å; T439-K446 HydrophobicContact CG2-CB 3.89Å; T439-V447 HydrophobicContact CG2-CG2 3.81Å; T439-M451 HydrophobicContact CG2-CE 3.8Å; T439-M451 HydrophobicContact CG2-SD 4.11Å; T439-M451 WeakPolarHBondContact OG1-CE 3.49Å
440	V	97.7	Very high	95.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-42.9	178.7	172.7	0	0	0	0	112.1	S214 Y436 I437 P444 V447 L471	S214-V440 WeakPolarHBondContact CB-O 3.34Å; S214-V440 PolarHBondContact OG-O 3.22Å; Y436-V440 HydrophobicContact CD1-CG2 4.18Å; Y436-V440 HydrophobicContact CD2-CG2 4.2Å; Y436-V440 HydrophobicContact CE1-CG2 3.7Å; Y436-V440 HydrophobicContact CE2-CG2 3.75Å; Y436-V440 HydrophobicContact CG-CG2 4.4Å; Y436-V440 VanDerWaalsContact CZ-CG2 3.46Å; Y436-V440 WeakPolarHBondContact O-CG2 3.44Å; Y436-V440 PolarHBondContact O-N 2.85Å; I437-V440 PolarHBondContact O-N 3.29Å; V440-P444 WeakPolarHBondContact O-CB 3.38Å; V440-V447 HydrophobicContact CB-CG2 4.31Å; V440-V447 HydrophobicContact CG2-CG1 4.48Å; V440-V447 HydrophobicContact CG2-CG2 3.61Å; V440-L471 HydrophobicContact CB-CD1 3.95Å; V440-L471 HydrophobicContact CG1-CD1 3.8Å; V440-L471 HydrophobicContact CG2-CD1 4.33Å
441	V	97.9	Very high	95.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-87	-27.1	-173.6	-56.5	0	0	0	0	113.9	I409 M412 F413 I437 T439 L471 R475	I409-V441 HydrophobicContact CD1-CG1 4.16Å; I409-V441 HydrophobicContact CG1-CG1 4.27Å; I409-V441 HydrophobicContact CG2-CG1 4.49Å; M412-V441 HydrophobicContact CE-CG2 3.51Å; F413-V441 HydrophobicContact CE2-CG2 4.34Å; I437-V441 HydrophobicContact CG2-CG1 4.43Å; I437-V441 HydrophobicContact CG2-CG2 4.49Å; I437-V441 VanDerWaalsContact O-CG2 3.22Å; I437-V441 WeakPolarHBondContact O-CG2 3.45Å; I437-V441 PolarHBondContact O-N 3.48Å; T439-V441 PolarHBondContact O-N 3.07Å; V441-L471 HydrophobicContact CG1-CB 4.02Å; V441-R475 VanDerWaalsContact O-CZ 3.27Å; V441-R475 PolarHBondContact O-NE 3.33Å; V441-R475 PolarHBondContact O-NH1 3.38Å
442	C	95.5	Very high	95.6	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.027	13%	0.128	C	C	.	.	H	α-helix	trans	-105.7	-37.1	-173.8	-58.5	0	0	0	0	113.7	Y336 K438	Y336-C442 WeakPolarHBondContact CB-O 3.26Å; Y336-C442 HydrophobicContact CD1-CB 3.68Å; Y336-C442 HydrophobicContact CD2-CB 3.61Å; Y336-C442 HydrophobicContact CE1-CB 3.89Å; Y336-C442 HydrophobicContact CE2-CB 3.81Å; Y336-C442 WeakPolarHBondContact CE2-SG 3.32Å; Y336-C442 HydrophobicContact CG-CB 3.55Å; K438-C442 WeakPolarHBondContact O-CB 3.29Å; K438-C442 PolarHBondContact O-N 3.41Å; K438-C442 PolarHBondContact O-SG 2.95Å
443	T	94.9	Very high	95.6	Very high	25 Å²	25	28.9 Å²	28.9	15%	0.153	13%	0.134	C	C	.	.			trans	-142.3	58.8	-175.7	58.6	0	0	0	0	110.6	T439 E445 K446	T439-T443 CarbonylContact O-C 3.55Å; T439-T443 WeakPolarHBondContact O-CA 3.36Å; T439-T443 PolarHBondContact O-N 3.24Å; T439-T443 VanDerWaalsContact O-O 3.05Å; T443-E445 VanDerWaalsContact C-OE2 3.27Å; T443-E445 PolarHBondContact O-N 3.22Å; T443-E445 VanDerWaalsContact O-N 3.1Å; T443-K446 WeakPolarHBondContact O-CB 3.17Å; T443-K446 PolarHBondContact O-N 3.4Å
444	P	96.4	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.5	-169.7	22.1	-34.6	0	0	0	113.7	H128 F217 T439 V440 K446 V447	H128-P444 HydrophobicContact CB-CG 3.91Å; H128-P444 WeakPolarHBondContact ND1-CD 3.34Å; H128-P444 WeakPolarHBondContact ND1-CG 3Å; F217-P444 HydrophobicContact CB-CB 3.95Å; F217-P444 WeakPolarHBondContact CB-O 3.45Å; F217-P444 HydrophobicContact CD2-CB 3.72Å; F217-P444 HydrophobicContact CD2-CG 4.28Å; F217-P444 HydrophobicContact CG-CB 4.13Å; F217-P444 WeakPolarHBondContact CG-O 3.34Å; T439-P444 WeakPolarHBondContact O-CA 3.46Å; V440-P444 WeakPolarHBondContact O-CB 3.38Å; P444-K446 PolarHBondContact O-N 2.83Å; P444-K446 VanDerWaalsContact O-N 3.08Å; P444-V447 WeakPolarHBondContact O-CB 3.33Å; P444-V447 WeakPolarHBondContact O-CG2 3.36Å; P444-V447 PolarHBondContact O-N 2.98Å
445	E	93	Very high	95	Very high	33 Å²	33	30.2 Å²	30.2	15%	0.154	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-59.9	-18.7	176	67.9	-73.3	170.5	0	0	114.4	H128 F217 T443	H128-E445 IonicContact ND1-OE2 2.81Å; F217-E445 HydrophobicContact CE1-CB 4.37Å; F217-E445 HydrophobicContact CE2-CB 4.33Å; F217-E445 HydrophobicContact CZ-CB 4Å; T443-E445 VanDerWaalsContact C-OE2 3.27Å; T443-E445 PolarHBondContact O-N 3.22Å; T443-E445 VanDerWaalsContact O-N 3.1Å
446	K	93.3	Very high	94.6	Very high	58 Å²	58	30.2 Å²	30.2	25%	0.252	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-90.6	-3	176	-58.5	-169.4	-178.7	-166.9	0	113.8	D316 T439 T443 P444 T448	D316-K446 PolarHBondContact O-NZ 3.21Å; D316-K446 IonicContact OD1-NZ 2.62Å; D316-K446 PolarHBondContact OD1-NZ 2.92Å; T439-K446 HydrophobicContact CG2-CB 3.89Å; T443-K446 WeakPolarHBondContact O-CB 3.17Å; T443-K446 PolarHBondContact O-N 3.4Å; P444-K446 PolarHBondContact O-N 2.83Å; P444-K446 VanDerWaalsContact O-N 3.08Å; K446-T448 PolarHBondContact O-N 3.25Å
447	V	95.3	Very high	94.2	Very high	16 Å²	16	38.2 Å²	38.2	10%	0.097	17%	0.173	C	C	.	.			trans	-64.9	132.3	179.8	176.1	0	0	0	0	110.1	F51 F217 Y436 T439 V440 P444	F51-V447 HydrophobicContact CE2-CG1 4.17Å; F51-V447 HydrophobicContact CZ-CG1 4.39Å; F217-V447 HydrophobicContact CB-CB 4.24Å; F217-V447 HydrophobicContact CB-CG2 4.37Å; Y436-V447 HydrophobicContact CE2-CG1 4.26Å; T439-V447 HydrophobicContact CG2-CG2 3.81Å; V440-V447 HydrophobicContact CB-CG2 4.31Å; V440-V447 HydrophobicContact CG2-CG1 4.48Å; V440-V447 HydrophobicContact CG2-CG2 3.61Å; P444-V447 WeakPolarHBondContact O-CB 3.33Å; P444-V447 WeakPolarHBondContact O-CG2 3.36Å; P444-V447 PolarHBondContact O-N 2.98Å
448	T	94.3	Very high	93.8	Very high	53 Å²	53	41.2 Å²	41.2	33%	0.325	19%	0.187	S	C	.	.			trans	-121.2	159.1	176.3	68.2	0	0	0	0	111.6	K446 R450 M451 Y452	K446-T448 PolarHBondContact O-N 3.25Å; T448-R450 PolarHBondContact O-N 3.31Å; T448-M451 WeakPolarHBondContact O-CB 3.47Å; T448-M451 PolarHBondContact O-N 2.93Å; T448-M451 WeakPolarHBondContact OG1-CG 3.43Å; T448-M451 PolarHBondContact OG1-N 2.66Å; T448-Y452 PolarHBondContact O-N 3.4Å; T448-Y452 VanDerWaalsContact O-N 3.14Å
449	K	94.6	Very high	93.6	Very high	62 Å²	62	41 Å²	41	27%	0.27	19%	0.186	S	C	.	.	H	α-helix	trans	-56.2	-38.4	173.3	-174	169.1	177.3	167.2	0	111.9	R50 F51 M451 Y452 E453	R50-K449 PolarHBondContact O-NZ 3.1Å; F51-K449 HydrophobicContact CD1-CB 3.69Å; F51-K449 HydrophobicContact CD1-CD 4.18Å; F51-K449 HydrophobicContact CD1-CG 3.81Å; F51-K449 HydrophobicContact CE1-CB 3.61Å; F51-K449 HydrophobicContact CE1-CG 4.28Å; F51-K449 HydrophobicContact CZ-CB 4.47Å; K449-M451 VanDerWaalsContact C-N 3.31Å; K449-M451 PolarHBondContact O-N 2.98Å; K449-Y452 WeakPolarHBondContact O-CB 3.14Å; K449-Y452 PolarHBondContact O-N 3.38Å; K449-E453 WeakPolarHBondContact CE-OE1 3.42Å; K449-E453 HydrophobicContact CG-CG 4.29Å; K449-E453 WeakPolarHBondContact CG-OE1 3.46Å; K449-E453 WeakPolarHBondContact O-CB 3.38Å; K449-E453 WeakPolarHBondContact O-CG 3.43Å; K449-E453 PolarHBondContact O-N 3.15Å
450	R	94.5	Very high	93.5	Very high	178 Å²	178	45.9 Å²	45.9	67%	0.672	21%	0.206	S	C	*	.	H	α-helix	trans	-58.8	-41.3	175.6	-175.9	-176.5	179.9	-165.1	0.9	112.1	T448 E453 S454	T448-R450 PolarHBondContact O-N 3.31Å; R450-E453 PolarHBondContact O-N 2.89Å; R450-S454 WeakPolarHBondContact O-CB 3.47Å; R450-S454 PolarHBondContact O-N 3.27Å; R450-S454 PolarHBondContact O-OG 2.85Å
451	M	95.1	Very high	93.4	Very high	15 Å²	15	48 Å²	48	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-47.5	177	-63.8	169.2	99.3	0	0	110.1	V435 Y436 T439 T448 K449 E453 S454 F455	V435-M451 HydrophobicContact CG1-CE 3.57Å; Y436-M451 HydrophobicContact CD2-CB 3.97Å; T439-M451 HydrophobicContact CG2-CE 3.8Å; T439-M451 HydrophobicContact CG2-SD 4.11Å; T439-M451 WeakPolarHBondContact OG1-CE 3.49Å; T448-M451 WeakPolarHBondContact O-CB 3.47Å; T448-M451 PolarHBondContact O-N 2.93Å; T448-M451 WeakPolarHBondContact OG1-CG 3.43Å; T448-M451 PolarHBondContact OG1-N 2.66Å; K449-M451 VanDerWaalsContact C-N 3.31Å; K449-M451 PolarHBondContact O-N 2.98Å; M451-E453 VanDerWaalsContact C-N 3.29Å; M451-E453 PolarHBondContact O-N 3.23Å; M451-S454 PolarHBondContact O-N 3.49Å; M451-S454 VanDerWaalsContact O-N 3.11Å; M451-S454 PolarHBondContact O-OG 3.48Å; M451-F455 WeakPolarHBondContact O-CD1 3.5Å
452	Y	95.5	Very high	93.3	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-56.7	-39.2	176.6	177.7	-93.3	0	0	0	113	F51 G218 Y436 T448 K449 F455 H461 K464	F51-Y452 HydrophobicContact CB-CD1 3.83Å; F51-Y452 HydrophobicContact CB-CE1 3.84Å; F51-Y452 HydrophobicContact CB-CG 4.24Å; F51-Y452 HydrophobicContact CD2-CD1 4.17Å; F51-Y452 AromaticContact CD2-CD2 3.87Å; F51-Y452 HydrophobicContact CD2-CD2 3.87Å; F51-Y452 HydrophobicContact CD2-CE2 4.45Å; F51-Y452 AromaticContact CD2-CG 3.71Å; F51-Y452 HydrophobicContact CD2-CG 3.71Å; F51-Y452 HydrophobicContact CE2-CG 4.41Å; F51-Y452 HydrophobicContact CG-CD1 4.21Å; F51-Y452 HydrophobicContact CG-CG 4.21Å; G218-Y452 WeakPolarHBondContact O-CD2 3.41Å; Y436-Y452 HydrophobicContact CE2-CD2 4.39Å; T448-Y452 PolarHBondContact O-N 3.4Å; T448-Y452 VanDerWaalsContact O-N 3.14Å; K449-Y452 WeakPolarHBondContact O-CB 3.14Å; K449-Y452 PolarHBondContact O-N 3.38Å; Y452-F455 HydrophobicContact CD2-CE1 4.43Å; Y452-F455 WeakPolarHBondContact O-CD1 3.41Å; Y452-F455 WeakPolarHBondContact O-CE1 3.29Å; Y452-H461 AromaticContact CE1-CE1 3.82Å; Y452-H461 AromaticContact CE1-ND1 3.63Å; Y452-H461 AromaticContact CZ-ND1 3.75Å; Y452-H461 PolarHBondContact OH-ND1 3.44Å; Y452-K464 HydrophobicContact CD1-CD 4.46Å; Y452-K464 HydrophobicContact CD2-CD 4.49Å; Y452-K464 HydrophobicContact CE1-CD 3.94Å; Y452-K464 HydrophobicContact CE2-CB 3.73Å; Y452-K464 HydrophobicContact CE2-CD 3.95Å; Y452-K464 HydrophobicContact CE2-CG 4.45Å; Y452-K464 PolarHBondContact O-NZ 3.42Å
453	E	93.9	Very high	93.3	Very high	96 Å²	96	50 Å²	50	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-79.4	-23.9	178.5	-71.5	172.3	170.7	0	0	113.3	K449 R450 M451	K449-E453 WeakPolarHBondContact CE-OE1 3.42Å; K449-E453 HydrophobicContact CG-CG 4.29Å; K449-E453 WeakPolarHBondContact CG-OE1 3.46Å; K449-E453 WeakPolarHBondContact O-CB 3.38Å; K449-E453 WeakPolarHBondContact O-CG 3.43Å; K449-E453 PolarHBondContact O-N 3.15Å; R450-E453 PolarHBondContact O-N 2.89Å; M451-E453 VanDerWaalsContact C-N 3.29Å; M451-E453 PolarHBondContact O-N 3.23Å
454	S	91.1	Very high	93.4	Very high	39 Å²	39	49.2 Å²	49.2	27%	0.273	22%	0.223	S	C	.	.	H	α-helix	trans	-79.3	-29.4	-171.2	66.7	0	0	0	0	114.6	R450 M451	R450-S454 WeakPolarHBondContact O-CB 3.47Å; R450-S454 PolarHBondContact O-N 3.27Å; R450-S454 PolarHBondContact O-OG 2.85Å; M451-S454 PolarHBondContact O-N 3.49Å; M451-S454 VanDerWaalsContact O-N 3.11Å; M451-S454 PolarHBondContact O-OG 3.48Å
455	F	89.3	Confident	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-88.1	143.2	175	81.5	-89.9	0	0	0	111	F433 Y436 M451 Y452 R457 K464	F433-F455 HydrophobicContact CB-CB 3.93Å; F433-F455 HydrophobicContact CD2-CB 3.88Å; F433-F455 HydrophobicContact CD2-CD1 4.3Å; F433-F455 AromaticContact CD2-CD2 3.36Å; F433-F455 HydrophobicContact CD2-CD2 3.36Å; F433-F455 AromaticContact CD2-CE2 3.93Å; F433-F455 HydrophobicContact CD2-CE2 3.93Å; F433-F455 AromaticContact CD2-CG 3.6Å; F433-F455 HydrophobicContact CD2-CG 3.6Å; F433-F455 AromaticContact CE2-CD2 3.63Å; F433-F455 HydrophobicContact CE2-CD2 3.63Å; F433-F455 AromaticContact CE2-CE2 3.69Å; F433-F455 HydrophobicContact CE2-CE2 3.69Å; F433-F455 HydrophobicContact CE2-CG 4.22Å; F433-F455 HydrophobicContact CE2-CZ 4.31Å; F433-F455 HydrophobicContact CG-CB 4.27Å; F433-F455 HydrophobicContact CG-CD2 4.2Å; F433-F455 HydrophobicContact CG-CG 4.42Å; Y436-F455 AromaticContact CD1-CD1 3.77Å; Y436-F455 HydrophobicContact CD1-CD1 3.77Å; Y436-F455 AromaticContact CD1-CE1 3.43Å; Y436-F455 HydrophobicContact CD1-CE1 3.43Å; Y436-F455 VanDerWaalsContact CD1-CE1 3.43Å; Y436-F455 AromaticContact CD1-CZ 3.94Å; Y436-F455 HydrophobicContact CD1-CZ 3.94Å; Y436-F455 AromaticContact CD2-CD1 3.85Å; Y436-F455 HydrophobicContact CD2-CD1 3.85Å; Y436-F455 AromaticContact CD2-CE1 3.71Å; Y436-F455 HydrophobicContact CD2-CE1 3.71Å; Y436-F455 HydrophobicContact CE1-CD1 4.25Å; Y436-F455 AromaticContact CE1-CE1 3.44Å; Y436-F455 HydrophobicContact CE1-CE1 3.44Å; Y436-F455 VanDerWaalsContact CE1-CE1 3.44Å; Y436-F455 AromaticContact CE1-CZ 3.73Å; Y436-F455 HydrophobicContact CE1-CZ 3.73Å; Y436-F455 HydrophobicContact CE2-CD1 4.31Å; Y436-F455 AromaticContact CE2-CE1 3.7Å; Y436-F455 HydrophobicContact CE2-CE1 3.7Å; Y436-F455 AromaticContact CG-CD1 3.56Å; Y436-F455 HydrophobicContact CG-CD1 3.56Å; Y436-F455 AromaticContact CG-CE1 3.58Å; Y436-F455 HydrophobicContact CG-CE1 3.58Å; Y436-F455 HydrophobicContact CG-CG 4.48Å; Y436-F455 AromaticContact CZ-CE1 3.57Å; M451-F455 WeakPolarHBondContact O-CD1 3.5Å; Y452-F455 HydrophobicContact CD2-CE1 4.43Å; Y452-F455 WeakPolarHBondContact O-CD1 3.41Å; Y452-F455 WeakPolarHBondContact O-CE1 3.29Å; F455-R457 PolarHBondContact O-N 2.91Å; F455-K464 HydrophobicContact CE2-CD 4.36Å; F455-K464 HydrophobicContact CE2-CG 4.12Å; F455-K464 HydrophobicContact CZ-CB 4.34Å; F455-K464 HydrophobicContact CZ-CD 4.01Å; F455-K464 HydrophobicContact CZ-CG 3.98Å; F455-K464 WeakPolarHBondContact O-CE 3.48Å; F455-K464 PolarHBondContact O-NZ 3.48Å
456	W	86.9	Confident	93.7	Very high	17 Å²	17	48.7 Å²	48.7	6%	0.064	22%	0.221	C	C	.	.	S	Bend	trans	40.1	62.3	173.3	-63.4	-17.2	0	0	0	113.2	L276 L401 I405 L429 F433 Q458 F459 K464 V467	L276-W456 HydrophobicContact CD2-CZ2 4.39Å; L401-W456 HydrophobicContact CD1-CH2 3.72Å; L401-W456 HydrophobicContact CD1-CZ2 3.75Å; L401-W456 HydrophobicContact CD2-CH2 3.53Å; L401-W456 HydrophobicContact CD2-CZ2 3.97Å; L401-W456 HydrophobicContact CD2-CZ3 4.15Å; L401-W456 HydrophobicContact CG-CH2 3.75Å; L401-W456 HydrophobicContact CG-CZ2 4.24Å; I405-W456 HydrophobicContact CD1-CH2 4Å; I405-W456 HydrophobicContact CD1-CZ3 4.37Å; L429-W456 HydrophobicContact CD2-CZ2 4.48Å; F433-W456 HydrophobicContact CD1-CD2 4.47Å; F433-W456 AromaticContact CD1-CE2 3.8Å; F433-W456 AromaticContact CD1-CH2 3.68Å; F433-W456 HydrophobicContact CD1-CH2 3.68Å; F433-W456 AromaticContact CD1-CZ2 3.35Å; F433-W456 HydrophobicContact CD1-CZ2 3.35Å; F433-W456 HydrophobicContact CD1-CZ3 4.34Å; F433-W456 HydrophobicContact CE1-CD2 4.5Å; F433-W456 HydrophobicContact CE1-CE3 4.29Å; F433-W456 AromaticContact CE1-CH2 3.03Å; F433-W456 HydrophobicContact CE1-CH2 3.03Å; F433-W456 AromaticContact CE1-CZ2 3.25Å; F433-W456 HydrophobicContact CE1-CZ2 3.25Å; F433-W456 AromaticContact CE1-CZ3 3.6Å; F433-W456 HydrophobicContact CE1-CZ3 3.6Å; F433-W456 HydrophobicContact CE2-CE3 4.47Å; F433-W456 HydrophobicContact CE2-CH2 4.49Å; F433-W456 HydrophobicContact CE2-CZ3 4.29Å; F433-W456 HydrophobicContact CG-CZ2 4.24Å; F433-W456 HydrophobicContact CZ-CE3 4.18Å; F433-W456 AromaticContact CZ-CH2 3.53Å; F433-W456 HydrophobicContact CZ-CH2 3.53Å; F433-W456 HydrophobicContact CZ-CZ2 4.08Å; F433-W456 AromaticContact CZ-CZ3 3.57Å; F433-W456 HydrophobicContact CZ-CZ3 3.57Å; W456-Q458 PolarHBondContact O-N 3.14Å; W456-Q458 VanDerWaalsContact O-N 3.09Å; W456-F459 HydrophobicContact CB-CB 4.13Å; W456-F459 HydrophobicContact CB-CD1 4.16Å; W456-F459 HydrophobicContact CB-CD2 3.56Å; W456-F459 HydrophobicContact CB-CE1 4.47Å; W456-F459 HydrophobicContact CB-CE2 3.89Å; W456-F459 HydrophobicContact CB-CG 3.69Å; W456-F459 HydrophobicContact CB-CZ 4.33Å; W456-F459 HydrophobicContact CD2-CD1 4.26Å; W456-F459 AromaticContact CD2-CE1 3.87Å; W456-F459 HydrophobicContact CD2-CE1 3.87Å; W456-F459 HydrophobicContact CD2-CE2 4.23Å; W456-F459 AromaticContact CD2-CZ 3.83Å; W456-F459 HydrophobicContact CD2-CZ 3.83Å; W456-F459 AromaticContact CE3-CD1 3.63Å; W456-F459 HydrophobicContact CE3-CD1 3.63Å; W456-F459 AromaticContact CE3-CE1 3.31Å; W456-F459 HydrophobicContact CE3-CE1 3.31Å; W456-F459 HydrophobicContact CE3-CE2 4.47Å; W456-F459 HydrophobicContact CE3-CG 4.35Å; W456-F459 AromaticContact CE3-CZ 3.76Å; W456-F459 HydrophobicContact CE3-CZ 3.76Å; W456-F459 HydrophobicContact CG-CD2 4.18Å; W456-F459 HydrophobicContact CG-CE1 4.38Å; W456-F459 AromaticContact CG-CE2 4Å; W456-F459 HydrophobicContact CG-CE2 4Å; W456-F459 HydrophobicContact CG-CG 4.42Å; W456-F459 HydrophobicContact CG-CZ 4.1Å; W456-F459 HydrophobicContact CZ3-CD1 4.36Å; W456-F459 AromaticContact CZ3-CE1 3.75Å; W456-F459 HydrophobicContact CZ3-CE1 3.75Å; W456-F459 HydrophobicContact CZ3-CZ 4.3Å; W456-F459 WeakPolarHBondContact O-CB 3.38Å; W456-F459 PolarHBondContact O-N 2.97Å; W456-K464 WeakPolarHBondContact O-CE 3.3Å; W456-V467 HydrophobicContact CE3-CG2 4.25Å; W456-V467 HydrophobicContact CZ3-CG2 3.69Å
457	R	88.2	Confident	93.9	Very high	169 Å²	169	46.4 Å²	46.4	64%	0.638	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.4	-168.2	-59.8	-177.6	-177.8	-163.9	3.6	113.9	F455	F455-R457 PolarHBondContact O-N 2.91Å
458	Q	89.8	Confident	94	Very high	63 Å²	63	45.7 Å²	45.7	29%	0.294	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9	179.4	-59.2	-54.7	-34.9	0	0	113.6	S269 V273 A391 W456	S269-Q458 PolarHBondContact OG-NE2 2.92Å; V273-Q458 HydrophobicContact CG2-CB 4.14Å; V273-Q458 HydrophobicContact CG2-CG 4.49Å; A391-Q458 HydrophobicContact CB-CB 3.99Å; A391-Q458 WeakPolarHBondContact CB-O 3.31Å; W456-Q458 PolarHBondContact O-N 3.14Å; W456-Q458 VanDerWaalsContact O-N 3.09Å
459	F	92.9	Very high	94.2	Very high	19 Å²	19	43.1 Å²	43.1	8%	0.083	19%	0.192	C	C	.	.	S	Bend	trans	-73	139.2	179.2	-79.8	-139.6	0	0	0	109.9	V273 M390 A391 W456 E463 K464	V273-F459 HydrophobicContact CG2-CE2 4.27Å; M390-F459 HydrophobicContact CE-CZ 4.49Å; M390-F459 HydrophobicContact CG-CE1 4.28Å; M390-F459 HydrophobicContact CG-CE2 3.78Å; M390-F459 HydrophobicContact CG-CZ 3.48Å; M390-F459 VanDerWaalsContact CG-CZ 3.48Å; M390-F459 HydrophobicContact SD-CZ 4.08Å; A391-F459 HydrophobicContact CB-CD2 3.97Å; A391-F459 HydrophobicContact CB-CE2 4.37Å; W456-F459 HydrophobicContact CB-CB 4.13Å; W456-F459 HydrophobicContact CB-CD1 4.16Å; W456-F459 HydrophobicContact CB-CD2 3.56Å; W456-F459 HydrophobicContact CB-CE1 4.47Å; W456-F459 HydrophobicContact CB-CE2 3.89Å; W456-F459 HydrophobicContact CB-CG 3.69Å; W456-F459 HydrophobicContact CB-CZ 4.33Å; W456-F459 HydrophobicContact CD2-CD1 4.26Å; W456-F459 AromaticContact CD2-CE1 3.87Å; W456-F459 HydrophobicContact CD2-CE1 3.87Å; W456-F459 HydrophobicContact CD2-CE2 4.23Å; W456-F459 AromaticContact CD2-CZ 3.83Å; W456-F459 HydrophobicContact CD2-CZ 3.83Å; W456-F459 AromaticContact CE3-CD1 3.63Å; W456-F459 HydrophobicContact CE3-CD1 3.63Å; W456-F459 AromaticContact CE3-CE1 3.31Å; W456-F459 HydrophobicContact CE3-CE1 3.31Å; W456-F459 HydrophobicContact CE3-CE2 4.47Å; W456-F459 HydrophobicContact CE3-CG 4.35Å; W456-F459 AromaticContact CE3-CZ 3.76Å; W456-F459 HydrophobicContact CE3-CZ 3.76Å; W456-F459 HydrophobicContact CG-CD2 4.18Å; W456-F459 HydrophobicContact CG-CE1 4.38Å; W456-F459 AromaticContact CG-CE2 4Å; W456-F459 HydrophobicContact CG-CE2 4Å; W456-F459 HydrophobicContact CG-CG 4.42Å; W456-F459 HydrophobicContact CG-CZ 4.1Å; W456-F459 HydrophobicContact CZ3-CD1 4.36Å; W456-F459 AromaticContact CZ3-CE1 3.75Å; W456-F459 HydrophobicContact CZ3-CE1 3.75Å; W456-F459 HydrophobicContact CZ3-CZ 4.3Å; W456-F459 WeakPolarHBondContact O-CB 3.38Å; W456-F459 PolarHBondContact O-N 2.97Å; F459-E463 WeakPolarHBondContact CA-OE2 3.49Å; F459-E463 HydrophobicContact CB-CB 4.16Å; F459-E463 HydrophobicContact CD1-CB 3.84Å; F459-E463 HydrophobicContact CG-CB 4.38Å; F459-K464 HydrophobicContact CB-CG 4.26Å
460	K	93.8	Very high	94.4	Very high	115 Å²	115	40.2 Å²	40.2	50%	0.5	18%	0.179	S	C	.	.			trans	-65.3	157.6	175.5	-60.8	177.3	-173.5	172.7	0	110.4	S462 E463 K464	K460-S462 PolarHBondContact O-N 3.33Å; K460-E463 HydrophobicContact CB-CG 4.27Å; K460-E463 PolarHBondContact N-OE2 2.9Å; K460-E463 PolarHBondContact O-N 3.15Å; K460-K464 PolarHBondContact O-N 3.48Å
461	H	95.3	Very high	94.6	Very high	43 Å²	43	31.8 Å²	31.8	20%	0.199	15%	0.147	C	C	.	.	H	α-helix	trans	-59.5	-35.6	173.6	-69.4	-43	0	0	0	112.5	I52 P53 E56 Y452 E463 K464 V465	I52-H461 HydrophobicContact CD1-CB 4.39Å; I52-H461 HydrophobicContact CG1-CB 4.11Å; I52-H461 HydrophobicContact CG2-CB 3.84Å; P53-H461 WeakPolarHBondContact CD-NE2 3.3Å; E56-H461 IonicContact OE1-CD2 3.72Å; E56-H461 IonicContact OE2-CD2 2.72Å; E56-H461 PolarHBondContact OE2-CD2 2.83Å; Y452-H461 AromaticContact CE1-CE1 3.82Å; Y452-H461 AromaticContact CE1-ND1 3.63Å; Y452-H461 AromaticContact CZ-ND1 3.75Å; Y452-H461 PolarHBondContact OH-ND1 3.44Å; H461-E463 VanDerWaalsContact C-N 3.33Å; H461-E463 PolarHBondContact O-N 2.81Å; H461-K464 PolarHBondContact O-N 3.3Å; H461-V465 VanDerWaalsContact O-CG2 3.29Å; H461-V465 WeakPolarHBondContact O-CG2 3.49Å; H461-V465 PolarHBondContact O-N 3.48Å
462	S	95	Very high	94.7	Very high	33 Å²	33	31.2 Å²	31.2	23%	0.231	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-42.3	171.5	58.5	0	0	0	0	112.4	H91 K460 V465 H466	H91-S462 PolarHBondContact CE1-O 3.06Å; H91-S462 PolarHBondContact NE2-O 2.89Å; K460-S462 PolarHBondContact O-N 3.33Å; S462-V465 PolarHBondContact O-N 3.25Å; S462-H466 WeakPolarHBondContact O-CB 3.47Å; S462-H466 PolarHBondContact O-N 3.35Å
463	E	95.9	Very high	94.9	Very high	15 Å²	15	31.2 Å²	31.2	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-69.1	-35.4	177.5	-63	173	128.7	0	0	111.7	M390 A391 F459 K460 H461 H466 V467	M390-E463 WeakPolarHBondContact CA-OE1 3.31Å; A391-E463 WeakPolarHBondContact CA-OE2 3.04Å; A391-E463 PolarHBondContact N-OE1 3.38Å; A391-E463 PolarHBondContact N-OE2 2.81Å; F459-E463 WeakPolarHBondContact CA-OE2 3.49Å; F459-E463 HydrophobicContact CB-CB 4.16Å; F459-E463 HydrophobicContact CD1-CB 3.84Å; F459-E463 HydrophobicContact CG-CB 4.38Å; K460-E463 HydrophobicContact CB-CG 4.27Å; K460-E463 PolarHBondContact N-OE2 2.9Å; K460-E463 PolarHBondContact O-N 3.15Å; H461-E463 VanDerWaalsContact C-N 3.33Å; H461-E463 PolarHBondContact O-N 2.81Å; E463-H466 WeakPolarHBondContact O-CB 3.34Å; E463-H466 PolarHBondContact O-N 3.23Å; E463-V467 WeakPolarHBondContact O-CG2 3.44Å; E463-V467 PolarHBondContact O-N 3.29Å
464	K	97	Very high	95.1	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.035	12%	0.123	C	C	.	.	H	α-helix	trans	-69.9	-35.9	173.7	-66.8	-170.4	173.7	-166.7	0	112.5	Y452 F455 W456 F459 K460 H461 V467 N468	Y452-K464 HydrophobicContact CD1-CD 4.46Å; Y452-K464 HydrophobicContact CD2-CD 4.49Å; Y452-K464 HydrophobicContact CE1-CD 3.94Å; Y452-K464 HydrophobicContact CE2-CB 3.73Å; Y452-K464 HydrophobicContact CE2-CD 3.95Å; Y452-K464 HydrophobicContact CE2-CG 4.45Å; Y452-K464 PolarHBondContact O-NZ 3.42Å; F455-K464 HydrophobicContact CE2-CD 4.36Å; F455-K464 HydrophobicContact CE2-CG 4.12Å; F455-K464 HydrophobicContact CZ-CB 4.34Å; F455-K464 HydrophobicContact CZ-CD 4.01Å; F455-K464 HydrophobicContact CZ-CG 3.98Å; F455-K464 WeakPolarHBondContact O-CE 3.48Å; F455-K464 PolarHBondContact O-NZ 3.48Å; W456-K464 WeakPolarHBondContact O-CE 3.3Å; F459-K464 HydrophobicContact CB-CG 4.26Å; K460-K464 PolarHBondContact O-N 3.48Å; H461-K464 PolarHBondContact O-N 3.3Å; K464-V467 PolarHBondContact O-N 3.01Å; K464-N468 PolarHBondContact O-N 2.97Å; K464-N468 PolarHBondContact O-ND2 3.49Å
465	V	97.6	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-44.3	172.4	173.4	0	0	0	0	109.8	I52 V87 F90 F215 H461 S462 V467 N468 L469	I52-V465 HydrophobicContact CD1-CG2 3.54Å; V87-V465 HydrophobicContact CG1-CG1 4.28Å; V87-V465 HydrophobicContact CG1-CG2 3.9Å; F90-V465 HydrophobicContact CB-CG1 4.46Å; F90-V465 HydrophobicContact CD2-CB 4.23Å; F90-V465 HydrophobicContact CD2-CG1 4.39Å; F90-V465 HydrophobicContact CD2-CG2 3.83Å; F90-V465 HydrophobicContact CE2-CG2 4.24Å; F215-V465 HydrophobicContact CE2-CG1 4.28Å; F215-V465 HydrophobicContact CZ-CG1 4.29Å; H461-V465 VanDerWaalsContact O-CG2 3.29Å; H461-V465 WeakPolarHBondContact O-CG2 3.49Å; H461-V465 PolarHBondContact O-N 3.48Å; S462-V465 PolarHBondContact O-N 3.25Å; V465-V467 VanDerWaalsContact C-N 3.33Å; V465-V467 PolarHBondContact O-N 3.08Å; V465-N468 WeakPolarHBondContact O-CA 3.25Å; V465-N468 WeakPolarHBondContact O-CB 3.24Å; V465-N468 PolarHBondContact O-N 2.97Å; V465-L469 WeakPolarHBondContact O-CG 3.38Å; V465-L469 PolarHBondContact O-N 2.93Å
466	H	97.4	Very high	95.9	Very high	22 Å²	22	24.9 Å²	24.9	10%	0.102	11%	0.11	C	C	.	.	H	α-helix	trans	-54	-48.2	172.8	-179.3	-167.8	0	0	0	111.9	H91 L385 S462 E463 N468 L469 L470	H91-H466 WeakPolarHBondContact NE2-CA 3.45Å; H91-H466 WeakPolarHBondContact NE2-CB 2.89Å; H91-H466 PolarHBondContact NE2-N 2.9Å; H91-H466 VanDerWaalsContact NE2-N 3.16Å; L385-H466 WeakPolarHBondContact CB-NE2 3.19Å; L385-H466 PolarHBondContact O-CE1 3.29Å; L385-H466 PolarHBondContact O-NE2 3.24Å; L385-H466 VanDerWaalsContact O-NE2 3.11Å; S462-H466 WeakPolarHBondContact O-CB 3.47Å; S462-H466 PolarHBondContact O-N 3.35Å; E463-H466 WeakPolarHBondContact O-CB 3.34Å; E463-H466 PolarHBondContact O-N 3.23Å; H466-N468 VanDerWaalsContact C-N 3.32Å; H466-N468 PolarHBondContact O-N 3.14Å; H466-L469 WeakPolarHBondContact O-CB 3.33Å; H466-L469 PolarHBondContact O-N 3.42Å; H466-L469 VanDerWaalsContact O-N 3.14Å; H466-L470 PolarHBondContact O-N 3.09Å
467	V	97.6	Very high	96.5	Very high	11 Å²	11	24.4 Å²	24.4	7%	0.067	11%	0.109	C	C	.	.	H	α-helix	trans	-55.8	-48.1	174.5	169	0	0	0	0	110.8	F433 W456 E463 K464 V465 L469 L470 L471	F433-V467 HydrophobicContact CE2-CG1 3.76Å; F433-V467 HydrophobicContact CZ-CG1 3.62Å; W456-V467 HydrophobicContact CE3-CG2 4.25Å; W456-V467 HydrophobicContact CZ3-CG2 3.69Å; E463-V467 WeakPolarHBondContact O-CG2 3.44Å; E463-V467 PolarHBondContact O-N 3.29Å; K464-V467 PolarHBondContact O-N 3.01Å; V465-V467 VanDerWaalsContact C-N 3.33Å; V465-V467 PolarHBondContact O-N 3.08Å; V467-L469 VanDerWaalsContact C-N 3.3Å; V467-L469 PolarHBondContact O-N 3.12Å; V467-L470 WeakPolarHBondContact O-CA 3.47Å; V467-L470 VanDerWaalsContact O-CB 3.3Å; V467-L470 WeakPolarHBondContact O-CB 3.38Å; V467-L470 PolarHBondContact O-N 3.49Å; V467-L470 VanDerWaalsContact O-N 3.07Å; V467-L471 HydrophobicContact CG1-CD1 4.47Å; V467-L471 HydrophobicContact CG1-CD2 4.2Å; V467-L471 HydrophobicContact CG1-CG 4.23Å; V467-L471 VanDerWaalsContact O-CG 3.27Å; V467-L471 WeakPolarHBondContact O-CG 3.34Å; V467-L471 PolarHBondContact O-N 3.01Å
468	N	98.5	Very high	97	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.2	-36	178.5	-78.5	-78.5	0	0	0	112.8	F215 G218 Y436 K464 V465 H466 L470 L471 I472	F215-N468 HydrophobicContact CD2-CB 4.13Å; F215-N468 HydrophobicContact CE2-CB 4.27Å; G218-N468 WeakPolarHBondContact CA-OD1 3.22Å; Y436-N468 PolarHBondContact OH-ND2 3.42Å; Y436-N468 PolarHBondContact OH-OD1 2.83Å; K464-N468 PolarHBondContact O-N 2.97Å; K464-N468 PolarHBondContact O-ND2 3.49Å; V465-N468 WeakPolarHBondContact O-CA 3.25Å; V465-N468 WeakPolarHBondContact O-CB 3.24Å; V465-N468 PolarHBondContact O-N 2.97Å; H466-N468 VanDerWaalsContact C-N 3.32Å; H466-N468 PolarHBondContact O-N 3.14Å; N468-L470 VanDerWaalsContact C-N 3.33Å; N468-L471 PolarHBondContact O-N 2.74Å; N468-I472 WeakPolarHBondContact O-CG2 3.41Å; N468-I472 PolarHBondContact O-N 3.38Å
469	L	98.6	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61	-43.2	172.4	-64.3	-177.7	0	0	0	111.6	M88 H91 Y94 F215 V465 H466 V467 L471 I472 E473	M88-L469 HydrophobicContact CE-CD2 4.11Å; M88-L469 HydrophobicContact CG-CD2 4.4Å; H91-L469 HydrophobicContact CB-CD1 3.9Å; H91-L469 VanDerWaalsContact CD2-CD1 3.47Å; H91-L469 WeakPolarHBondContact CD2-CD1 3.18Å; Y94-L469 HydrophobicContact CD1-CD1 3.64Å; Y94-L469 HydrophobicContact CD1-CD2 3.69Å; Y94-L469 HydrophobicContact CD1-CG 4.25Å; Y94-L469 HydrophobicContact CD2-CD1 4.31Å; Y94-L469 HydrophobicContact CE1-CD1 4.2Å; Y94-L469 HydrophobicContact CE1-CD2 3.37Å; Y94-L469 HydrophobicContact CE1-CG 4.32Å; Y94-L469 HydrophobicContact CE2-CD2 4.48Å; Y94-L469 HydrophobicContact CG-CD1 3.72Å; Y94-L469 HydrophobicContact CG-CD2 4.4Å; F215-L469 HydrophobicContact CD2-CD2 3.99Å; F215-L469 HydrophobicContact CE2-CD2 3.49Å; F215-L469 VanDerWaalsContact CE2-CD2 3.49Å; F215-L469 HydrophobicContact CE2-CG 4.26Å; F215-L469 HydrophobicContact CZ-CD2 4.2Å; V465-L469 WeakPolarHBondContact O-CG 3.38Å; V465-L469 PolarHBondContact O-N 2.93Å; H466-L469 WeakPolarHBondContact O-CB 3.33Å; H466-L469 PolarHBondContact O-N 3.42Å; H466-L469 VanDerWaalsContact O-N 3.14Å; V467-L469 VanDerWaalsContact C-N 3.3Å; V467-L469 PolarHBondContact O-N 3.12Å; L469-L471 VanDerWaalsContact C-N 3.33Å; L469-L471 PolarHBondContact O-N 3.35Å; L469-I472 HydrophobicContact CD2-CD1 4.18Å; L469-I472 VanDerWaalsContact O-CG1 3.24Å; L469-I472 WeakPolarHBondContact O-CG1 3.41Å; L469-I472 PolarHBondContact O-N 2.88Å; L469-E473 WeakPolarHBondContact O-CG 3.42Å; L469-E473 PolarHBondContact O-N 3.45Å; L469-E473 VanDerWaalsContact O-N 3.16Å
470	L	98.4	Very high	97.7	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-62.5	-40.6	174.8	-168	71.5	0	0	0	111.7	A382 R402 I405 W406 H466 V467 N468 A474	A382-L470 WeakPolarHBondContact O-CD1 3.14Å; R402-L470 HydrophobicContact CB-CD2 3.99Å; R402-L470 HydrophobicContact CG-CD2 4.12Å; I405-L470 HydrophobicContact CB-CD2 3.71Å; I405-L470 HydrophobicContact CD1-CD2 3.82Å; I405-L470 HydrophobicContact CG1-CD2 4.39Å; I405-L470 HydrophobicContact CG2-CD2 3.74Å; I405-L470 HydrophobicContact CG2-CG 4.28Å; W406-L470 HydrophobicContact CE3-CD1 3.52Å; W406-L470 HydrophobicContact CE3-CG 4.13Å; W406-L470 HydrophobicContact CZ3-CD1 3.92Å; H466-L470 PolarHBondContact O-N 3.09Å; V467-L470 WeakPolarHBondContact O-CA 3.47Å; V467-L470 VanDerWaalsContact O-CB 3.3Å; V467-L470 WeakPolarHBondContact O-CB 3.38Å; V467-L470 PolarHBondContact O-N 3.49Å; V467-L470 VanDerWaalsContact O-N 3.07Å; N468-L470 VanDerWaalsContact C-N 3.33Å; L470-A474 WeakPolarHBondContact O-CB 3.42Å; L470-A474 PolarHBondContact O-N 3.31Å; L470-A474 VanDerWaalsContact O-N 3.1Å
471	L	98.7	Very high	97.9	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-62.1	-45.5	179.2	-55.5	-169.2	0	0	0	112.1	I405 I409 Y436 I437 V440 V441 V467 N468 L469 R475	I405-L471 HydrophobicContact CG2-CD2 3.39Å; I409-L471 HydrophobicContact CD1-CB 4.21Å; I409-L471 HydrophobicContact CD1-CD2 3.69Å; Y436-L471 HydrophobicContact CD1-CD1 4.41Å; Y436-L471 HydrophobicContact CE1-CD1 3.96Å; I437-L471 HydrophobicContact CB-CD2 4.45Å; I437-L471 HydrophobicContact CD1-CD2 4.46Å; I437-L471 HydrophobicContact CG1-CD1 4.33Å; I437-L471 HydrophobicContact CG1-CD2 3.85Å; I437-L471 HydrophobicContact CG2-CD2 4.03Å; V440-L471 HydrophobicContact CB-CD1 3.95Å; V440-L471 HydrophobicContact CG1-CD1 3.8Å; V440-L471 HydrophobicContact CG2-CD1 4.33Å; V441-L471 HydrophobicContact CG1-CB 4.02Å; V467-L471 HydrophobicContact CG1-CD1 4.47Å; V467-L471 HydrophobicContact CG1-CD2 4.2Å; V467-L471 HydrophobicContact CG1-CG 4.23Å; V467-L471 VanDerWaalsContact O-CG 3.27Å; V467-L471 WeakPolarHBondContact O-CG 3.34Å; V467-L471 PolarHBondContact O-N 3.01Å; N468-L471 PolarHBondContact O-N 2.74Å; L469-L471 VanDerWaalsContact C-N 3.33Å; L469-L471 PolarHBondContact O-N 3.35Å; L471-R475 VanDerWaalsContact O-CB 3.27Å; L471-R475 WeakPolarHBondContact O-CB 3.45Å; L471-R475 PolarHBondContact O-N 3.02Å
472	I	98.3	Very high	98.1	Very high	3 Å²	3	5.1 Å²	5.1	2%	0.015	3%	0.028	C	C	.	.	H	α-helix	trans	-73.3	-35.4	-175.5	67.5	175	0	0	0	112.5	M88 S211 F215 N468 L469 M476	M88-I472 HydrophobicContact CE-CD1 4.48Å; S211-I472 WeakPolarHBondContact CB-O 3.46Å; S211-I472 WeakPolarHBondContact O-CG2 3.15Å; S211-I472 PolarHBondContact OG-O 2.75Å; F215-I472 HydrophobicContact CB-CD1 3.91Å; F215-I472 HydrophobicContact CB-CG2 3.79Å; F215-I472 HydrophobicContact CD2-CD1 3.9Å; F215-I472 HydrophobicContact CG-CD1 4.12Å; N468-I472 WeakPolarHBondContact O-CG2 3.41Å; N468-I472 PolarHBondContact O-N 3.38Å; L469-I472 HydrophobicContact CD2-CD1 4.18Å; L469-I472 VanDerWaalsContact O-CG1 3.24Å; L469-I472 WeakPolarHBondContact O-CG1 3.41Å; L469-I472 PolarHBondContact O-N 2.88Å; I472-M476 WeakPolarHBondContact O-CB 3.46Å; I472-M476 PolarHBondContact O-N 2.06Å
473	E	98.7	Very high	98.2	Very high	2 Å²	2	3.5 Å²	3.5	1%	0.009	2%	0.017	C	C	.	.	H	α-helix	trans	-74.1	-39.3	178.6	-66.2	-49.9	145.5	0	0	111.5	Y94 K378 F379 A382 W406 L469 R475 M476 Q477	Y94-E473 HydrophobicContact CE2-CG 3.91Å; Y94-E473 PolarHBondContact OH-OE1 3.06Å; K378-E473 WeakPolarHBondContact CE-OE1 3.35Å; K378-E473 WeakPolarHBondContact CE-OE2 3.39Å; K378-E473 IonicContact NZ-OE1 3.68Å; K378-E473 PolarHBondContact NZ-OE1 3.16Å; K378-E473 IonicContact NZ-OE2 3.79Å; K378-E473 PolarHBondContact NZ-OE2 3Å; F379-E473 HydrophobicContact CD1-CB 3.97Å; F379-E473 HydrophobicContact CD1-CG 4.42Å; F379-E473 VanDerWaalsContact CD1-OE2 3.26Å; F379-E473 WeakPolarHBondContact CD1-OE2 3.31Å; F379-E473 HydrophobicContact CE1-CB 4.3Å; F379-E473 WeakPolarHBondContact CE1-O 3.37Å; F379-E473 WeakPolarHBondContact CE1-OE2 3.46Å; A382-E473 HydrophobicContact CB-CB 3.95Å; A382-E473 HydrophobicContact CB-CG 3.56Å; W406-E473 HydrophobicContact CH2-CB 3.85Å; W406-E473 HydrophobicContact CZ3-CB 3.9Å; L469-E473 WeakPolarHBondContact O-CG 3.42Å; L469-E473 PolarHBondContact O-N 3.45Å; L469-E473 VanDerWaalsContact O-N 3.16Å; E473-R475 VanDerWaalsContact C-N 3.31Å; E473-R475 PolarHBondContact O-N 2.94Å; E473-M476 PolarHBondContact O-N 3.26Å; E473-Q477 WeakPolarHBondContact O-CB 3.23Å; E473-Q477 PolarHBondContact O-N 3.28Å
474	A	98.7	Very high	98.4	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-60.6	-42.7	172.3	0	0	0	0	0	111.5	W406 I409 H410 L470 A478	W406-A474 HydrophobicContact CD2-CB 3.54Å; W406-A474 HydrophobicContact CE3-CB 3.59Å; W406-A474 HydrophobicContact CG-CB 4.02Å; W406-A474 HydrophobicContact CH2-CB 4.3Å; W406-A474 HydrophobicContact CZ2-CB 4.23Å; W406-A474 HydrophobicContact CZ3-CB 3.99Å; I409-A474 HydrophobicContact CB-CB 4.14Å; I409-A474 HydrophobicContact CD1-CB 3.65Å; I409-A474 HydrophobicContact CG2-CB 4.06Å; H410-A474 PolarHBondContact NE2-O 3.19Å; L470-A474 WeakPolarHBondContact O-CB 3.42Å; L470-A474 PolarHBondContact O-N 3.31Å; L470-A474 VanDerWaalsContact O-N 3.1Å; A474-A478 WeakPolarHBondContact O-CB 3.46Å; A474-A478 PolarHBondContact O-N 3.16Å
475	R	98.5	Very high	98.4	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-62.1	-49.7	174.9	179.6	-174.1	170.2	164.3	13.6	111.5	H128 A172 H210 S214 F413 V441 L471 E473 Q477 A478 E479	H128-R475 PolarHBondContact CE1-NH1 3.37Å; H128-R475 PolarHBondContact CE1-NH2 2.77Å; H128-R475 VanDerWaalsContact CE1-NH2 3.33Å; H128-R475 PolarHBondContact NE2-NH1 2.96Å; H128-R475 PolarHBondContact NE2-NH2 2.88Å; A172-R475 PolarHBondContact O-NH2 3.27Å; H210-R475 PolarHBondContact O-NH1 2.98Å; S214-R475 PolarHBondContact OG-NH1 3.45Å; F413-R475 HydrophobicContact CZ-CG 4.37Å; V441-R475 VanDerWaalsContact O-CZ 3.27Å; V441-R475 PolarHBondContact O-NE 3.33Å; V441-R475 PolarHBondContact O-NH1 3.38Å; L471-R475 VanDerWaalsContact O-CB 3.27Å; L471-R475 WeakPolarHBondContact O-CB 3.45Å; L471-R475 PolarHBondContact O-N 3.02Å; E473-R475 VanDerWaalsContact C-N 3.31Å; E473-R475 PolarHBondContact O-N 2.94Å; R475-Q477 VanDerWaalsContact C-N 3.31Å; R475-Q477 PolarHBondContact O-N 3.22Å; R475-A478 WeakPolarHBondContact O-CB 3.38Å; R475-A478 PolarHBondContact O-N 3.37Å; R475-E479 IonicContact CZ-OE1 3.47Å; R475-E479 IonicContact NE-OE1 3.95Å; R475-E479 PolarHBondContact NE-OE1 3.44Å; R475-E479 IonicContact NH2-OE1 3.31Å; R475-E479 PolarHBondContact NH2-OE1 3.21Å; R475-E479 PolarHBondContact O-N 2.66Å; R475-E479 VanDerWaalsContact O-N 3.07Å
476	M	98.7	Very high	98.4	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	2%	0.021	C	C	.	.	H	α-helix	trans	-58.6	-44.5	179.7	-174.7	172	169.2	0	0	110.9	H208 S211 I375 F379 I472 E473 A478 E479 L480	H208-M476 HydrophobicContact CB-CE 4.06Å; H208-M476 HydrophobicContact CB-SD 4.35Å; S211-M476 WeakPolarHBondContact OG-CA 3.44Å; S211-M476 WeakPolarHBondContact OG-CB 3.3Å; S211-M476 PolarHBondContact OG-N 3.38Å; I375-M476 HydrophobicContact CD1-CE 4.3Å; I375-M476 HydrophobicContact CG1-CE 4.22Å; I375-M476 HydrophobicContact CG2-CE 4.41Å; F379-M476 HydrophobicContact CE1-CB 4.17Å; F379-M476 HydrophobicContact CE1-CG 4.27Å; F379-M476 HydrophobicContact CE1-SD 4.45Å; F379-M476 HydrophobicContact CZ-CB 4.46Å; F379-M476 HydrophobicContact CZ-CG 4.29Å; I472-M476 WeakPolarHBondContact O-CB 3.46Å; I472-M476 PolarHBondContact O-N 2.06Å; E473-M476 PolarHBondContact O-N 3.26Å; M476-A478 PolarHBondContact O-N 2.7Å; M476-E479 PolarHBondContact O-N 3.23Å; M476-L480 HydrophobicContact CE-CD1 4.05Å; M476-L480 HydrophobicContact CG-CD1 4.2Å; M476-L480 WeakPolarHBondContact O-CB 3.46Å; M476-L480 WeakPolarHBondContact O-CG 3.5Å; M476-L480 PolarHBondContact O-N 3.39Å
477	Q	98.6	Very high	98.5	Very high	7 Å²	7	3.5 Å²	3.5	3%	0.033	2%	0.016	C	C	.	.	H	α-helix	trans	-61	-45	177	-167.8	-176.4	66	0	0	111.3	W356 F379 W406 H410 E473 R475 E479 L480 L481	W356-Q477 HydrophobicContact CB-CG 4.44Å; F379-Q477 HydrophobicContact CD2-CB 4.49Å; F379-Q477 HydrophobicContact CD2-CG 4.3Å; F379-Q477 HydrophobicContact CE1-CB 4.1Å; F379-Q477 HydrophobicContact CE2-CB 3.85Å; F379-Q477 HydrophobicContact CE2-CG 3.79Å; F379-Q477 HydrophobicContact CZ-CB 3.62Å; F379-Q477 HydrophobicContact CZ-CG 4.11Å; W406-Q477 HydrophobicContact CZ2-CB 4.05Å; W406-Q477 HydrophobicContact CZ2-CG 4.46Å; W406-Q477 VanDerWaalsContact CZ2-OE1 3.27Å; W406-Q477 VanDerWaalsContact NE1-OE1 3.14Å; H410-Q477 PolarHBondContact CE1-OE1 2.85Å; H410-Q477 PolarHBondContact NE2-OE1 2.84Å; E473-Q477 WeakPolarHBondContact O-CB 3.23Å; E473-Q477 PolarHBondContact O-N 3.28Å; R475-Q477 VanDerWaalsContact C-N 3.31Å; R475-Q477 PolarHBondContact O-N 3.22Å; Q477-E479 PolarHBondContact O-N 2.86Å; Q477-L480 PolarHBondContact O-N 3.05Å; Q477-L481 HydrophobicContact CG-CD1 4.17Å; Q477-L481 HydrophobicContact CG-CG 4.37Å; Q477-L481 WeakPolarHBondContact O-CB 3.48Å; Q477-L481 VanDerWaalsContact O-CG 3.24Å; Q477-L481 WeakPolarHBondContact O-CG 3.47Å; Q477-L481 PolarHBondContact O-N 2.84Å
478	A	98.6	Very high	98.5	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-58.4	-46.6	177.7	0	0	0	0	0	112.5	F413 I415 A474 R475 M476 L481 Y482	F413-A478 HydrophobicContact CB-CB 4.2Å; F413-A478 HydrophobicContact CD2-CB 4.27Å; F413-A478 HydrophobicContact CG-CB 4.11Å; I415-A478 HydrophobicContact CD1-CB 3.6Å; A474-A478 WeakPolarHBondContact O-CB 3.46Å; A474-A478 PolarHBondContact O-N 3.16Å; R475-A478 WeakPolarHBondContact O-CB 3.38Å; R475-A478 PolarHBondContact O-N 3.37Å; M476-A478 PolarHBondContact O-N 2.7Å; A478-L481 PolarHBondContact O-N 3.33Å; A478-Y482 VanDerWaalsContact O-CD2 3.25Å; A478-Y482 WeakPolarHBondContact O-CD2 3.38Å; A478-Y482 PolarHBondContact O-N 3.23Å
479	E	98.7	Very high	98.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.6	-43.4	178.4	-65.3	-176.4	-149	0	0	112	L171 P175 T207 H210 R475 M476 Q477 L481 Y482 A483	L171-E479 HydrophobicContact CD2-CB 4.16Å; P175-E479 HydrophobicContact CB-CG 4.49Å; P175-E479 HydrophobicContact CG-CG 4.32Å; T207-E479 HydrophobicContact CG2-CB 3.47Å; T207-E479 VanDerWaalsContact CG2-CB 3.47Å; H210-E479 IonicContact CE1-OE2 3.58Å; H210-E479 IonicContact CG-OE2 3.32Å; H210-E479 IonicContact ND1-OE1 2.97Å; H210-E479 IonicContact ND1-OE2 2.68Å; H210-E479 PolarHBondContact ND1-OE2 3.23Å; R475-E479 IonicContact CZ-OE1 3.47Å; R475-E479 IonicContact NE-OE1 3.95Å; R475-E479 PolarHBondContact NE-OE1 3.44Å; R475-E479 IonicContact NH2-OE1 3.31Å; R475-E479 PolarHBondContact NH2-OE1 3.21Å; R475-E479 PolarHBondContact O-N 2.66Å; R475-E479 VanDerWaalsContact O-N 3.07Å; M476-E479 PolarHBondContact O-N 3.23Å; Q477-E479 PolarHBondContact O-N 2.86Å; E479-L481 PolarHBondContact O-N 3.32Å; E479-Y482 PolarHBondContact O-N 3.09Å; E479-A483 PolarHBondContact O-N 3.27Å; E479-A483 VanDerWaalsContact O-N 3.15Å
480	L	98.7	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.7	-45.1	176.3	-76.6	176.8	0	0	0	111.8	V203 V204 T207 W356 I375 F379 M476 Q477 Y482 A483 L484	V203-L480 HydrophobicContact CG1-CD2 3.9Å; V204-L480 HydrophobicContact CG2-CD2 4.38Å; T207-L480 HydrophobicContact CG2-CD2 4.06Å; T207-L480 HydrophobicContact CG2-CG 4.23Å; T207-L480 WeakPolarHBondContact OG1-CD2 3.49Å; W356-L480 HydrophobicContact CH2-CD1 4.5Å; W356-L480 HydrophobicContact CZ3-CD1 4.05Å; I375-L480 HydrophobicContact CD1-CD1 4.42Å; I375-L480 HydrophobicContact CG2-CD1 4.12Å; F379-L480 HydrophobicContact CE2-CD1 4.41Å; F379-L480 HydrophobicContact CZ-CD1 4Å; M476-L480 HydrophobicContact CE-CD1 4.05Å; M476-L480 HydrophobicContact CG-CD1 4.2Å; M476-L480 WeakPolarHBondContact O-CB 3.46Å; M476-L480 WeakPolarHBondContact O-CG 3.5Å; M476-L480 PolarHBondContact O-N 3.39Å; Q477-L480 PolarHBondContact O-N 3.05Å; L480-Y482 VanDerWaalsContact C-N 3.29Å; L480-Y482 PolarHBondContact O-N 3.48Å; L480-A483 PolarHBondContact O-N 2.87Å; L480-L484 HydrophobicContact CB-CD1 4.12Å; L480-L484 WeakPolarHBondContact O-CB 3.19Å; L480-L484 WeakPolarHBondContact O-CG 3.19Å; L480-L484 PolarHBondContact O-N 3.3Å
481	L	98.7	Very high	98.2	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-56.2	-44.1	179.6	-75.7	171.7	0	0	0	111.9	F349 Y354 W356 I415 Q477 A478 E479 R485	F349-L481 HydrophobicContact CE1-CB 4.43Å; F349-L481 HydrophobicContact CE1-CD1 4.46Å; F349-L481 HydrophobicContact CE2-CB 4.11Å; F349-L481 HydrophobicContact CZ-CB 3.8Å; F349-L481 HydrophobicContact CZ-CD2 4.26Å; F349-L481 HydrophobicContact CZ-CG 4.44Å; Y354-L481 HydrophobicContact CD1-CD2 4.13Å; Y354-L481 HydrophobicContact CE1-CD2 4.3Å; W356-L481 HydrophobicContact CB-CD2 4.26Å; I415-L481 HydrophobicContact CD1-CD1 4.08Å; Q477-L481 HydrophobicContact CG-CD1 4.17Å; Q477-L481 HydrophobicContact CG-CG 4.37Å; Q477-L481 WeakPolarHBondContact O-CB 3.48Å; Q477-L481 VanDerWaalsContact O-CG 3.24Å; Q477-L481 WeakPolarHBondContact O-CG 3.47Å; Q477-L481 PolarHBondContact O-N 2.84Å; A478-L481 PolarHBondContact O-N 3.33Å; E479-L481 PolarHBondContact O-N 3.32Å; L481-R485 WeakPolarHBondContact O-CB 3.26Å; L481-R485 PolarHBondContact O-N 3.44Å
482	Y	98.6	Very high	97.8	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-46.8	178	-80.1	-66.2	0	0	0	113	P175 W176 F349 F413 I415 A478 E479 L480 A486	P175-Y482 HydrophobicContact CB-CD2 3.8Å; P175-Y482 HydrophobicContact CB-CG 4.15Å; P175-Y482 HydrophobicContact CG-CD2 3.97Å; P175-Y482 HydrophobicContact CG-CE2 4.44Å; P175-Y482 WeakPolarHBondContact O-CB 3.34Å; W176-Y482 VanDerWaalsContact CA-CE1 3.42Å; W176-Y482 HydrophobicContact CB-CD1 4.33Å; W176-Y482 HydrophobicContact CB-CE1 3.67Å; W176-Y482 HydrophobicContact CB-CE2 4.09Å; F349-Y482 HydrophobicContact CB-CE1 3.94Å; F349-Y482 WeakPolarHBondContact CB-OH 3.4Å; F349-Y482 AromaticContact CD2-CD1 3.79Å; F349-Y482 HydrophobicContact CD2-CD1 3.79Å; F349-Y482 AromaticContact CD2-CE1 3.51Å; F349-Y482 HydrophobicContact CD2-CE1 3.51Å; F349-Y482 HydrophobicContact CD2-CG 4.48Å; F349-Y482 HydrophobicContact CE2-CD1 4.34Å; F349-Y482 HydrophobicContact CE2-CE1 4.46Å; F349-Y482 HydrophobicContact CG-CE1 4.15Å; F413-Y482 HydrophobicContact CB-CE2 4.45Å; F413-Y482 WeakPolarHBondContact O-CE2 3.46Å; F413-Y482 PolarHBondContact O-OH 3Å; I415-Y482 HydrophobicContact CD1-CD2 4.39Å; I415-Y482 HydrophobicContact CD1-CE2 3.86Å; I415-Y482 HydrophobicContact CG1-CE2 3.82Å; A478-Y482 VanDerWaalsContact O-CD2 3.25Å; A478-Y482 WeakPolarHBondContact O-CD2 3.38Å; A478-Y482 PolarHBondContact O-N 3.23Å; E479-Y482 PolarHBondContact O-N 3.09Å; L480-Y482 VanDerWaalsContact C-N 3.29Å; L480-Y482 PolarHBondContact O-N 3.48Å; Y482-A486 PolarHBondContact O-N 3.18Å; Y482-A486 VanDerWaalsContact O-N 3.16Å
483	A	98.5	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-48	177.4	0	0	0	0	0	112.4	L171 V203 E479 L480 R485 A486 I487	L171-A483 HydrophobicContact CD2-CB 4.03Å; V203-A483 HydrophobicContact CG1-CB 3.59Å; V203-A483 HydrophobicContact CG2-CB 4.27Å; E479-A483 PolarHBondContact O-N 3.27Å; E479-A483 VanDerWaalsContact O-N 3.15Å; L480-A483 PolarHBondContact O-N 2.87Å; A483-R485 PolarHBondContact O-N 3.46Å; A483-A486 WeakPolarHBondContact O-CB 3.36Å; A483-A486 PolarHBondContact O-N 2.85Å; A483-A486 VanDerWaalsContact O-N 3.14Å; A483-I487 WeakPolarHBondContact O-CG1 3.38Å; A483-I487 PolarHBondContact O-N 3.02Å
484	L	98.6	Very high	97.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-68.8	-36.2	-175.3	-64.8	174.2	0	0	0	111.9	Y354 W356 L363 V364 L480 A486 I487 T488	Y354-L484 HydrophobicContact CE1-CB 4.33Å; Y354-L484 VanDerWaalsContact OH-C 3.3Å; Y354-L484 WeakPolarHBondContact OH-CB 2.94Å; Y354-L484 PolarHBondContact OH-O 3.31Å; W356-L484 HydrophobicContact CE3-CD1 4.31Å; W356-L484 HydrophobicContact CZ3-CD1 3.89Å; L363-L484 HydrophobicContact CD2-CB 4.04Å; L363-L484 HydrophobicContact CD2-CD2 3.95Å; L363-L484 WeakPolarHBondContact CD2-O 3.07Å; L363-L484 HydrophobicContact CG-CD2 4.44Å; V364-L484 HydrophobicContact CG2-CD1 3.43Å; V364-L484 VanDerWaalsContact CG2-CD1 3.43Å; V364-L484 HydrophobicContact CG2-CD2 3.42Å; V364-L484 VanDerWaalsContact CG2-CD2 3.42Å; V364-L484 HydrophobicContact CG2-CG 4.06Å; L480-L484 HydrophobicContact CB-CD1 4.12Å; L480-L484 WeakPolarHBondContact O-CB 3.19Å; L480-L484 WeakPolarHBondContact O-CG 3.19Å; L480-L484 PolarHBondContact O-N 3.3Å; L484-A486 VanDerWaalsContact C-N 3.32Å; L484-A486 PolarHBondContact O-N 3.4Å; L484-I487 HydrophobicContact CD2-CD1 4.39Å; L484-I487 PolarHBondContact O-N 3.14Å; L484-T488 WeakPolarHBondContact O-CB 3.46Å; L484-T488 PolarHBondContact O-N 3.23Å; L484-T488 PolarHBondContact O-OG1 3.42Å
485	R	98.3	Very high	97.7	Very high	40 Å²	40	29.6 Å²	29.6	15%	0.151	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-41	170.8	-173.6	-179	68.9	170.3	1.1	111.4	F349 Y354 L481 A483 T488 R489	F349-R485 HydrophobicContact CE2-CB 4.12Å; F349-R485 VanDerWaalsContact CE2-CD 3.48Å; F349-R485 HydrophobicContact CE2-CG 4.41Å; Y354-R485 HydrophobicContact CD1-CB 4.1Å; Y354-R485 HydrophobicContact CD2-CB 4.15Å; Y354-R485 HydrophobicContact CD2-CG 4Å; Y354-R485 HydrophobicContact CE1-CB 4.15Å; Y354-R485 HydrophobicContact CE2-CB 4.19Å; Y354-R485 HydrophobicContact CE2-CG 4.4Å; Y354-R485 HydrophobicContact CG-CB 4.09Å; Y354-R485 HydrophobicContact CG-CG 4.08Å; L481-R485 WeakPolarHBondContact O-CB 3.26Å; L481-R485 PolarHBondContact O-N 3.44Å; A483-R485 PolarHBondContact O-N 3.46Å; R485-T488 PolarHBondContact O-N 2.95Å; R485-R489 WeakPolarHBondContact O-CB 3.36Å; R485-R489 WeakPolarHBondContact O-CG 3.48Å; R485-R489 PolarHBondContact O-N 3.22Å
486	A	98.2	Very high	97.7	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-40.4	176.5	0	0	0	0	0	112.2	I178 I183 Y482 A483 L484 R489 Y490	I178-A486 HydrophobicContact CG2-CB 3.63Å; I183-A486 HydrophobicContact CD1-CB 4.32Å; I183-A486 HydrophobicContact CG1-CB 3.88Å; Y482-A486 PolarHBondContact O-N 3.18Å; Y482-A486 VanDerWaalsContact O-N 3.16Å; A483-A486 WeakPolarHBondContact O-CB 3.36Å; A483-A486 PolarHBondContact O-N 2.85Å; A483-A486 VanDerWaalsContact O-N 3.14Å; L484-A486 VanDerWaalsContact C-N 3.32Å; L484-A486 PolarHBondContact O-N 3.4Å; A486-R489 PolarHBondContact O-N 3.01Å; A486-Y490 PolarHBondContact O-N 3.43Å
487	I	98.3	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-46.5	173.5	-67.9	169.8	0	0	0	110.4	I183 L196 V200 L363 A483 L484 R489 Y490 M491	I183-I487 HydrophobicContact CD1-CG1 3.78Å; I183-I487 HydrophobicContact CG1-CG1 4.07Å; I183-I487 HydrophobicContact CG2-CG1 4.06Å; L196-I487 HydrophobicContact CD2-CG2 4Å; V200-I487 HydrophobicContact CG2-CD1 3.97Å; L363-I487 HydrophobicContact CD1-CG2 4.47Å; L363-I487 HydrophobicContact CD2-CB 4.25Å; L363-I487 HydrophobicContact CD2-CG2 4.03Å; A483-I487 WeakPolarHBondContact O-CG1 3.38Å; A483-I487 PolarHBondContact O-N 3.02Å; L484-I487 HydrophobicContact CD2-CD1 4.39Å; L484-I487 PolarHBondContact O-N 3.14Å; I487-R489 VanDerWaalsContact C-N 3.31Å; I487-R489 PolarHBondContact O-N 3.08Å; I487-Y490 WeakPolarHBondContact O-CB 3.32Å; I487-Y490 PolarHBondContact O-N 3.34Å; I487-M491 HydrophobicContact CG2-CG 4.37Å; I487-M491 HydrophobicContact CG2-SD 4.02Å; I487-M491 WeakPolarHBondContact O-CG 3.14Å; I487-M491 PolarHBondContact O-N 3.49Å
488	T	97.7	Very high	97.5	Very high	40 Å²	40	35 Å²	35	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-44.6	176.7	-58.8	0	0	0	0	111.7	Y354 L363 L484 R485 Y490 M491 T492	Y354-T488 HydrophobicContact CE2-CG2 4.19Å; Y354-T488 WeakPolarHBondContact CE2-OG1 3.31Å; Y354-T488 PolarHBondContact OH-OG1 3.3Å; L363-T488 WeakPolarHBondContact CD2-OG1 3.44Å; L484-T488 WeakPolarHBondContact O-CB 3.46Å; L484-T488 PolarHBondContact O-N 3.23Å; L484-T488 PolarHBondContact O-OG1 3.42Å; R485-T488 PolarHBondContact O-N 2.95Å; T488-Y490 PolarHBondContact O-N 3.12Å; T488-M491 PolarHBondContact O-N 2.86Å; T488-M491 VanDerWaalsContact O-N 3.16Å; T488-T492 PolarHBondContact O-N 3.44Å; T488-T492 VanDerWaalsContact O-N 3.11Å; T488-T492 PolarHBondContact O-OG1 3.4Å
489	R	97	Very high	97.4	Very high	139 Å²	139	37.5 Å²	37.5	53%	0.525	18%	0.182	S	C	.	.	H	α-helix	trans	-68.4	-17.9	176.5	-74.2	179.7	178.5	-175.5	0.1	114.6	K180 R485 A486 I487	K180-R489 HydrophobicContact CB-CB 4.35Å; R485-R489 WeakPolarHBondContact O-CB 3.36Å; R485-R489 WeakPolarHBondContact O-CG 3.48Å; R485-R489 PolarHBondContact O-N 3.22Å; A486-R489 PolarHBondContact O-N 3.01Å; I487-R489 VanDerWaalsContact C-N 3.31Å; I487-R489 PolarHBondContact O-N 3.08Å
490	Y	97	Very high	97.3	Very high	74 Å²	74	40.4 Å²	40.4	29%	0.29	20%	0.196	S	C	.	.	H	α-helix	trans	-83.1	-35.9	170.7	169.1	-89.8	0	0	0	111.1	I183 E184 L187 L196 A486 I487 T488 T492	I183-Y490 HydrophobicContact CB-CG 4.5Å; I183-Y490 HydrophobicContact CG2-CD1 4.23Å; I183-Y490 HydrophobicContact CG2-CD2 4.46Å; I183-Y490 HydrophobicContact CG2-CG 3.94Å; E184-Y490 HydrophobicContact CB-CD2 3.91Å; E184-Y490 HydrophobicContact CB-CE2 3.83Å; E184-Y490 HydrophobicContact CG-CE2 4.03Å; L187-Y490 HydrophobicContact CD1-CD1 3.54Å; L187-Y490 HydrophobicContact CD1-CE1 3.12Å; L187-Y490 HydrophobicContact CD1-CE2 4.17Å; L187-Y490 HydrophobicContact CD1-CG 4.23Å; L187-Y490 VanDerWaalsContact CD1-CZ 3.46Å; L187-Y490 HydrophobicContact CG-CE1 4.46Å; L196-Y490 HydrophobicContact CD2-CD1 4.48Å; A486-Y490 PolarHBondContact O-N 3.43Å; I487-Y490 WeakPolarHBondContact O-CB 3.32Å; I487-Y490 PolarHBondContact O-N 3.34Å; T488-Y490 PolarHBondContact O-N 3.12Å; Y490-T492 VanDerWaalsContact C-N 3.3Å
491	M	95.6	Very high	97.2	Very high	71 Å²	71	43.8 Å²	43.8	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-77.6	-14.2	-179.3	-64.7	-175.7	74.6	0	0	114	L196 L363 R366 L367 I487 T488	L196-M491 HydrophobicContact CD1-CE 3.78Å; L196-M491 HydrophobicContact CD1-CG 4.18Å; L196-M491 HydrophobicContact CD1-SD 4.05Å; L196-M491 HydrophobicContact CD2-CG 4.35Å; L196-M491 HydrophobicContact CD2-SD 4.38Å; L363-M491 HydrophobicContact CD1-SD 3.89Å; R366-M491 VanDerWaalsContact NH1-CE 3.29Å; R366-M491 PolarHBondContact NH2-SD 2.84Å; L367-M491 HydrophobicContact CD1-SD 4.42Å; I487-M491 HydrophobicContact CG2-CG 4.37Å; I487-M491 HydrophobicContact CG2-SD 4.02Å; I487-M491 WeakPolarHBondContact O-CG 3.14Å; I487-M491 PolarHBondContact O-N 3.49Å; T488-M491 PolarHBondContact O-N 2.86Å; T488-M491 VanDerWaalsContact O-N 3.16Å
492	T	90.5	Very high	97.1	Very high	153 Å²	153	47.6 Å²	47.6	94%	0.939	23%	0.231	S	C	*	.			trans	-113.2	0	179	49.8	0	0	0	0	109.7	T488 Y490	T488-T492 PolarHBondContact O-N 3.44Å; T488-T492 VanDerWaalsContact O-N 3.11Å; T488-T492 PolarHBondContact O-OG1 3.4Å; Y490-T492 VanDerWaalsContact C-N 3.3Å

Retrieved 492 of 492 residues in 157.9 ms (Link to these results)

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