A0A5K4FG35_SCHMA Loading...

CCA tRNA nucleotidyltransferase 1, mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4FG35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 500 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	33.6	Very low	30.5	Very low	239 Å²	239	171.1 Å²	171.1	100%	1.177	85%	0.848	S	S	*	*				0	68.6	0	-162.8	-169.1	-77.4	0	0	108.7
2	F	28.1	Very low	30.9	Very low	217 Å²	217	171 Å²	171	95%	0.952	84%	0.839	S	S	*	*			trans	-131.7	115.3	177.7	-96.1	-85.7	0	0	0	108.9
3	R	29.5	Very low	30.9	Very low	238 Å²	238	173.2 Å²	173.2	90%	0.898	83%	0.832	S	S	*	*			trans	-72.1	126.2	179.8	-89.3	174.3	166.9	178.1	-4.1	110	I5	R3-I5 PolarHBondContact O-N 3.3Å
4	L	28.9	Very low	31	Very low	170 Å²	170	169.4 Å²	169.4	89%	0.89	82%	0.817	S	S	*	*			trans	-68.2	108.7	159.3	-86.7	150.9	0	0	0	109
5	I	32.4	Very low	31.1	Very low	150 Å²	150	163.4 Å²	163.4	77%	0.769	80%	0.799	S	S	*	*			trans	-84.3	106.4	164.8	-64	172.8	0	0	0	106.8	R3	R3-I5 PolarHBondContact O-N 3.3Å
6	R	28.1	Very low	31.3	Very low	234 Å²	234	156.9 Å²	156.9	88%	0.883	78%	0.776	S	S	*	*			trans	-79.9	108.8	164.9	-83	-179.1	170.7	178.5	-2.8	108.3
7	C	28.1	Very low	31.4	Very low	110 Å²	110	154.1 Å²	154.1	74%	0.743	76%	0.763	S	S	*	*			trans	-80	129.9	160.9	-105	0	0	0	0	109	L9	C7-L9 PolarHBondContact O-N 3.11Å
8	P	30.2	Very low	31.4	Very low	120 Å²	120	151.1 Å²	151.1	78%	0.779	75%	0.751	S	S	*	*			trans	-80.7	109.7	172.4	31.2	-27	0	0	0	108.5	N10	P8-N10 PolarHBondContact O-N 2.92Å
9	L	32.1	Very low	31.2	Very low	165 Å²	165	146.9 Å²	146.9	86%	0.864	74%	0.738	S	S	*	*			trans	-63.8	120.1	169.6	-87.8	157.1	0	0	0	109	C7 T11	C7-L9 PolarHBondContact O-N 3.11Å; L9-T11 PolarHBondContact O-N 3.02Å
10	N	31.3	Very low	31.3	Very low	119 Å²	119	144.9 Å²	144.9	64%	0.636	73%	0.733	S	S	*	*			trans	-65.6	96.2	-175	-163.6	-1.8	0	0	0	110.6	P8 K12	P8-N10 PolarHBondContact O-N 2.92Å; N10-K12 PolarHBondContact O-N 3.42Å; N10-K12 VanDerWaalsContact O-N 3.07Å
11	T	33.1	Very low	31.3	Very low	120 Å²	120	142.9 Å²	142.9	74%	0.736	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	3.2	-179.8	40.2	0	0	0	0	114.6	L9	L9-T11 PolarHBondContact O-N 3.02Å
12	K	35.1	Very low	31.1	Very low	170 Å²	170	136.1 Å²	136.1	74%	0.739	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-7.6	178.1	-77.8	-175.6	173.7	-178	0	115.5	N10 S15	N10-K12 PolarHBondContact O-N 3.42Å; N10-K12 VanDerWaalsContact O-N 3.07Å; K12-S15 PolarHBondContact O-OG 2.94Å
13	R	30.8	Very low	31.2	Very low	200 Å²	200	135 Å²	135	76%	0.755	70%	0.695	S	S	*	*	S	Bend	trans	-95	-14.4	179	-120	-179.7	-174.2	-175.9	0.6	114.6	S16	R13-S16 PolarHBondContact O-OG 3.47Å
14	I	33.2	Very low	31.3	Very low	120 Å²	120	127.3 Å²	127.3	62%	0.615	68%	0.682	S	S	*	*	S	Bend	trans	-87.5	-25.4	179.8	-63.1	170.5	0	0	0	110.9	N18	I14-N18 PolarHBondContact O-N 3.42Å
15	S	32.8	Very low	31.3	Very low	79 Å²	79	126.8 Å²	126.8	55%	0.552	68%	0.677	S	S	*	*	H	α-helix	trans	-73	-25.2	175.6	56.3	0	0	0	0	113.8	K12 S19	K12-S15 PolarHBondContact O-OG 2.94Å; S15-S19 PolarHBondContact O-N 3.07Å
16	S	33.1	Very low	31.6	Very low	60 Å²	60	128.8 Å²	128.8	42%	0.42	68%	0.683	S	S	.	*	H	α-helix	trans	-89	-16.2	179	63.4	0	0	0	0	114.2	R13 S19 V20	R13-S16 PolarHBondContact O-OG 3.47Å; S16-S19 PolarHBondContact O-OG 2.85Å; S16-V20 WeakPolarHBondContact O-CG2 3.49Å
17	L	32.6	Very low	32.7	Very low	108 Å²	108	125 Å²	125	57%	0.565	67%	0.669	S	S	*	*	H	α-helix	trans	-80.1	-37.4	168.8	-101.2	94.6	0	0	0	111	S19 V20 I21	L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 2.84Å; L17-V20 PolarHBondContact O-N 3.19Å; L17-I21 HydrophobicContact CD2-CD1 4.47Å; L17-I21 WeakPolarHBondContact O-CB 3.19Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.4Å; L17-I21 PolarHBondContact O-N 3.1Å
18	N	31.6	Very low	34	Very low	101 Å²	101	124.5 Å²	124.5	54%	0.54	67%	0.666	S	S	.	*	H	α-helix	trans	-67.2	-28.5	176.5	-74.9	-11.7	0	0	0	112.8	I14 S22	I14-N18 PolarHBondContact O-N 3.42Å; N18-S22 WeakPolarHBondContact O-CB 3.46Å; N18-S22 PolarHBondContact O-N 3.29Å
19	S	28.9	Very low	36.1	Very low	72 Å²	72	122.1 Å²	122.1	50%	0.503	65%	0.647	S	S	.	*	H	α-helix	trans	-78.3	-18.4	175.6	67.5	0	0	0	0	114.2	S15 S16 L17	S15-S19 PolarHBondContact O-N 3.07Å; S16-S19 PolarHBondContact O-OG 2.85Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 2.84Å
20	V	32.2	Very low	38	Very low	106 Å²	106	116.6 Å²	116.6	64%	0.642	62%	0.62	S	S	*	*	H	α-helix	trans	-93.2	-28.9	174.1	178.9	0	0	0	0	110.7	S16 L17	S16-V20 WeakPolarHBondContact O-CG2 3.49Å; L17-V20 PolarHBondContact O-N 3.19Å
21	I	31.4	Very low	40.1	Very low	102 Å²	102	115.5 Å²	115.5	52%	0.523	62%	0.618	S	S	.	*	H	α-helix	trans	-77.9	-27.2	174.4	-67.1	169	0	0	0	111.7	L17 F23	L17-I21 HydrophobicContact CD2-CD1 4.47Å; L17-I21 WeakPolarHBondContact O-CB 3.19Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.4Å; L17-I21 PolarHBondContact O-N 3.1Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 2.98Å
22	S	29.4	Very low	42.6	Very low	98 Å²	98	112.6 Å²	112.6	69%	0.685	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-5.2	174.6	99.5	0	0	0	0	114.9	N18	N18-S22 WeakPolarHBondContact O-CB 3.46Å; N18-S22 PolarHBondContact O-N 3.29Å
23	F	29.4	Very low	45.3	Very low	193 Å²	193	108.5 Å²	108.5	85%	0.846	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-8.8	176.5	-163.4	-101.7	0	0	0	112.8	I21	I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 2.98Å
24	A	31.7	Very low	48.3	Very low	77 Å²	77	99.9 Å²	99.9	64%	0.636	56%	0.556	S	S	*	*	S	Bend	trans	-103.6	-1.2	-173.9	0	0	0	0	0	115.1
25	M	30	Very low	51.1	Low	159 Å²	159	97 Å²	97	78%	0.783	54%	0.541	S	S	*	.	S	Bend	trans	-137.7	63.3	-170.1	-74.2	-168.7	132.2	0	0	113.7
26	E	38	Very low	54	Low	191 Å²	191	93.2 Å²	93.2	89%	0.893	52%	0.515	S	S	*	.			trans	-157.1	61.2	148.6	-124.2	173.6	-161.3	0	0	108.8	S28	E26-S28 PolarHBondContact O-N 3.47Å; E26-S28 VanDerWaalsContact O-N 3.1Å
27	R	50.7	Low	56.8	Low	156 Å²	156	91.3 Å²	91.3	59%	0.589	50%	0.501	S	S	*	.			trans	-69.6	106	162	-78	-173.3	177.6	178.2	2.4	106.6
28	S	56.3	Low	59.7	Low	98 Å²	98	90.5 Å²	90.5	69%	0.685	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-63.2	135.1	176.3	53.7	0	0	0	0	109	E26 T30	E26-S28 PolarHBondContact O-N 3.47Å; E26-S28 VanDerWaalsContact O-N 3.1Å; S28-T30 PolarHBondContact O-N 3.47Å; S28-T30 VanDerWaalsContact O-N 3.1Å
29	L	73.7	Confident	62.7	Low	70 Å²	70	86.4 Å²	86.4	37%	0.366	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-51.2	119.2	168.4	168.9	62.7	0	0	0	107.9	T31 L199 Y201	L29-T31 HydrophobicContact CD1-CG2 4.42Å; L29-T31 HydrophobicContact CD2-CG2 3.85Å; L29-T31 HydrophobicContact CG-CG2 3.78Å; L29-L199 HydrophobicContact CD1-CB 4.04Å; L29-L199 HydrophobicContact CD1-CG 4.44Å; L29-Y201 HydrophobicContact CB-CD1 4.35Å; L29-Y201 HydrophobicContact CB-CE1 4.32Å; L29-Y201 HydrophobicContact CD1-CD1 3.83Å; L29-Y201 HydrophobicContact CD1-CE1 3.66Å; L29-Y201 HydrophobicContact CD1-CE2 4.41Å; L29-Y201 HydrophobicContact CD1-CG 4.29Å; L29-Y201 HydrophobicContact CD2-CE1 4.16Å; L29-Y201 HydrophobicContact CG-CE1 4.25Å
30	T	71.8	Confident	65.6	Low	49 Å²	49	86 Å²	86	30%	0.301	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124	168.3	47	0	0	0	0	107.7	S28 D200	S28-T30 PolarHBondContact O-N 3.47Å; S28-T30 VanDerWaalsContact O-N 3.1Å; T30-D200 PolarHBondContact N-O 3.18Å; T30-D200 VanDerWaalsContact N-O 3.15Å; T30-D200 PolarHBondContact O-N 3.3Å; T30-D200 WeakPolarHBondContact OG1-CB 3.29Å; T30-D200 PolarHBondContact OG1-O 2.89Å
31	T	76.6	Confident	68.3	Low	97 Å²	97	83 Å²	83	60%	0.595	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.7	174	57.9	0	0	0	0	108.7	L29 L198	L29-T31 HydrophobicContact CD1-CG2 4.42Å; L29-T31 HydrophobicContact CD2-CG2 3.85Å; L29-T31 HydrophobicContact CG-CG2 3.78Å; T31-L198 WeakPolarHBondContact CA-O 3.31Å
32	D	85.1	Confident	71.2	Confident	58 Å²	58	78.2 Å²	78.2	31%	0.31	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.4	177.3	-72.2	-53.7	0	0	0	110.1	I34 L198 R205	D32-I34 HydrophobicContact CB-CD1 4.41Å; D32-L198 HydrophobicContact CB-CB 4.36Å; D32-L198 HydrophobicContact CB-CD2 4.49Å; D32-L198 PolarHBondContact O-N 3.48Å; D32-R205 IonicContact OD1-NH1 2.59Å; D32-R205 IonicContact OD2-CZ 3.83Å; D32-R205 IonicContact OD2-NH1 2.9Å; D32-R205 PolarHBondContact OD2-NH1 3Å
33	T	92	Very high	74	Confident	85 Å²	85	75.5 Å²	75.5	52%	0.521	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.6	170.9	-52.5	0	0	0	0	109.1	L195 G196	T33-L195 HydrophobicContact CG2-CB 3.99Å; T33-L195 HydrophobicContact CG2-CD1 4.07Å; T33-L195 HydrophobicContact CG2-CD2 4.22Å; T33-L195 HydrophobicContact CG2-CG 4.32Å; T33-G196 CarbonylContact C-O 3.52Å; T33-G196 WeakPolarHBondContact CA-O 3.41Å
34	I	93.1	Very high	77	Confident	18 Å²	18	68 Å²	68	9%	0.092	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137	-179.2	-52.6	-59	0	0	0	108.7	D32 L36 I71 L72 L163 L195 G196 L198	D32-I34 HydrophobicContact CB-CD1 4.41Å; I34-L36 HydrophobicContact CB-CD2 4.25Å; I34-L36 HydrophobicContact CG2-CD2 3.78Å; I34-L36 PolarHBondContact O-N 3.46Å; I34-I71 HydrophobicContact CG2-CG2 4.38Å; I34-L72 HydrophobicContact CD1-CD2 3.74Å; I34-L72 HydrophobicContact CG1-CD2 4.15Å; I34-L163 HydrophobicContact CB-CD1 4.27Å; I34-L163 HydrophobicContact CG1-CD1 4.04Å; I34-L195 CarbonylContact O-C 3.58Å; I34-L195 WeakPolarHBondContact O-CA 3.26Å; I34-G196 PolarHBondContact N-O 2.97Å; I34-G196 PolarHBondContact O-N 3.37Å; I34-L198 HydrophobicContact CD1-CB 4.49Å; I34-L198 HydrophobicContact CG1-CB 4.06Å
35	D	93	Very high	79.9	Confident	59 Å²	59	69 Å²	69	32%	0.316	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	114.9	171.9	-161.6	-32.8	0	0	0	109.5	T37 R193	D35-T37 WeakPolarHBondContact OD1-CB 3.32Å; D35-T37 PolarHBondContact OD1-N 3.22Å; D35-T37 PolarHBondContact OD1-OG1 3.36Å; D35-R193 IonicContact OD2-CZ 3.98Å; D35-R193 IonicContact OD2-NE 2.74Å; D35-R193 PolarHBondContact OD2-NE 3Å; D35-R193 IonicContact OD2-NH2 3.22Å; D35-R193 PolarHBondContact OD2-NH2 3.3Å
36	L	93.6	Very high	82.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.33	C	S	.	.			trans	-101	-1.9	-177.9	-56.4	-177.3	0	0	0	113	I34 P38 F39 L42 I71 L163 V165 V194	I34-L36 HydrophobicContact CB-CD2 4.25Å; I34-L36 HydrophobicContact CG2-CD2 3.78Å; I34-L36 PolarHBondContact O-N 3.46Å; L36-P38 VanDerWaalsContact O-N 3.14Å; L36-F39 PolarHBondContact O-N 3.07Å; L36-L42 HydrophobicContact CB-CD1 4.35Å; L36-L42 HydrophobicContact CD1-CD1 4.26Å; L36-L42 HydrophobicContact CD2-CD1 4.17Å; L36-L42 HydrophobicContact CG-CD1 4.49Å; L36-I71 HydrophobicContact CD2-CG2 3.72Å; L36-L163 HydrophobicContact CD1-CD2 4.08Å; L36-L163 HydrophobicContact CD2-CD2 3.74Å; L36-V165 HydrophobicContact CD1-CB 4.36Å; L36-V165 HydrophobicContact CD1-CG1 4.05Å; L36-V165 HydrophobicContact CD1-CG2 3.9Å; L36-V194 WeakPolarHBondContact CA-O 3.27Å; L36-V194 HydrophobicContact CB-CB 4.28Å; L36-V194 HydrophobicContact CB-CG1 4.08Å; L36-V194 PolarHBondContact N-O 2.96Å
37	T	92.1	Very high	85.6	Confident	21 Å²	21	52.6 Å²	52.6	13%	0.129	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-36.6	176.2	-43.6	0	0	0	0	113.5	D35 F39 Y43 R193 V194	D35-T37 WeakPolarHBondContact OD1-CB 3.32Å; D35-T37 PolarHBondContact OD1-N 3.22Å; D35-T37 PolarHBondContact OD1-OG1 3.36Å; T37-F39 PolarHBondContact O-N 3.12Å; T37-Y43 PolarHBondContact O-OH 3.44Å; T37-R193 VanDerWaalsContact OG1-CA 3.32Å; T37-R193 WeakPolarHBondContact OG1-CA 3.32Å; T37-V194 PolarHBondContact N-O 3.15Å; T37-V194 PolarHBondContact OG1-N 3.14Å; T37-V194 VanDerWaalsContact OG1-N 3.15Å
38	P	93.5	Very high	87.6	Confident	91 Å²	91	45.7 Å²	45.7	59%	0.591	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-10.3	177.6	-22.8	35.9	0	0	0	115.9	L36 P40	L36-P38 VanDerWaalsContact O-N 3.14Å; P38-P40 VanDerWaalsContact C-CD 3.49Å; P38-P40 WeakPolarHBondContact O-CD 3.36Å
39	F	93.5	Very high	89.4	Confident	14 Å²	14	42.5 Å²	42.5	6%	0.061	24%	0.237	C	C	.	.			trans	-117.2	74.4	-171.1	-53.5	-83.2	0	0	0	111.6	L36 T37 E41 L42 Y43 I71	L36-F39 PolarHBondContact O-N 3.07Å; T37-F39 PolarHBondContact O-N 3.12Å; F39-E41 PolarHBondContact O-N 3.31Å; F39-L42 HydrophobicContact CB-CD1 3.74Å; F39-L42 HydrophobicContact CB-CG 3.8Å; F39-L42 HydrophobicContact CG-CD1 4.37Å; F39-L42 WeakPolarHBondContact O-CB 3.25Å; F39-L42 PolarHBondContact O-N 3.38Å; F39-Y43 WeakPolarHBondContact O-CD1 3.32Å; F39-Y43 WeakPolarHBondContact O-CE1 3.36Å; F39-I71 HydrophobicContact CD2-CG2 4.22Å; F39-I71 HydrophobicContact CE2-CG2 3.8Å; F39-I71 HydrophobicContact CZ-CB 4.39Å; F39-I71 HydrophobicContact CZ-CG2 4.05Å; F39-I71 WeakPolarHBondContact CZ-O 3.12Å
40	P	91	Very high	90.4	Very high	65 Å²	65	39.1 Å²	39.1	42%	0.422	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57.7	-27.4	-177.1	25.1	-34.9	0	0	0	115.5	P38 L42 Y43 T44	P38-P40 VanDerWaalsContact C-CD 3.49Å; P38-P40 WeakPolarHBondContact O-CD 3.36Å; P40-L42 PolarHBondContact O-N 3Å; P40-Y43 HydrophobicContact CB-CE2 4.1Å; P40-Y43 CarbonylContact O-C 3.17Å; P40-Y43 PolarHBondContact O-N 3.42Å; P40-Y43 VanDerWaalsContact O-N 3.13Å; P40-T44 PolarHBondContact O-N 3.07Å
41	E	89.4	Confident	91.6	Very high	43 Å²	43	37.5 Å²	37.5	20%	0.201	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-57.7	-23.5	172.8	59.6	-85.4	-163.5	0	0	113.8	F39 Y43 N47 S76 P77	F39-E41 PolarHBondContact O-N 3.31Å; E41-Y43 VanDerWaalsContact C-N 3.28Å; E41-Y43 PolarHBondContact O-N 3.1Å; E41-N47 PolarHBondContact O-ND2 2.72Å; E41-S76 WeakPolarHBondContact OE1-CA 3.46Å; E41-S76 VanDerWaalsContact OE1-CB 3.23Å; E41-S76 WeakPolarHBondContact OE1-CB 3.45Å; E41-S76 PolarHBondContact OE1-OG 3.3Å; E41-P77 HydrophobicContact CG-CG 4.49Å; E41-P77 WeakPolarHBondContact OE1-CD 3.38Å
42	L	91.1	Very high	92.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-79	-12.8	179.2	-57.3	-174.3	0	0	0	113.3	L36 F39 P40 N47 I63 I71 P77 I80	L36-L42 HydrophobicContact CB-CD1 4.35Å; L36-L42 HydrophobicContact CD1-CD1 4.26Å; L36-L42 HydrophobicContact CD2-CD1 4.17Å; L36-L42 HydrophobicContact CG-CD1 4.49Å; F39-L42 HydrophobicContact CB-CD1 3.74Å; F39-L42 HydrophobicContact CB-CG 3.8Å; F39-L42 HydrophobicContact CG-CD1 4.37Å; F39-L42 WeakPolarHBondContact O-CB 3.25Å; F39-L42 PolarHBondContact O-N 3.38Å; P40-L42 PolarHBondContact O-N 3Å; L42-N47 PolarHBondContact O-ND2 3.36Å; L42-I63 HydrophobicContact CD1-CD1 4.18Å; L42-I63 HydrophobicContact CD2-CD1 3.81Å; L42-I63 HydrophobicContact CG-CD1 4.5Å; L42-I71 HydrophobicContact CD1-CD1 3.65Å; L42-I71 HydrophobicContact CD1-CG1 4.24Å; L42-I71 HydrophobicContact CD2-CD1 4.2Å; L42-P77 HydrophobicContact CD2-CG 4.12Å; L42-I80 HydrophobicContact CD2-CD1 3.62Å; L42-I80 HydrophobicContact CD2-CG1 4.27Å
43	Y	88.7	Confident	93	Very high	41 Å²	41	34.3 Å²	34.3	16%	0.161	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-136	38	-176.4	50.2	-94	0	0	0	111.9	T37 F39 P40 E41 L170 V194	T37-Y43 PolarHBondContact O-OH 3.44Å; F39-Y43 WeakPolarHBondContact O-CD1 3.32Å; F39-Y43 WeakPolarHBondContact O-CE1 3.36Å; P40-Y43 HydrophobicContact CB-CE2 4.1Å; P40-Y43 CarbonylContact O-C 3.17Å; P40-Y43 PolarHBondContact O-N 3.42Å; P40-Y43 VanDerWaalsContact O-N 3.13Å; E41-Y43 VanDerWaalsContact C-N 3.28Å; E41-Y43 PolarHBondContact O-N 3.1Å; Y43-L170 HydrophobicContact CG-CD1 4.36Å; Y43-V194 HydrophobicContact CD1-CB 4.31Å; Y43-V194 HydrophobicContact CD1-CG1 4.2Å; Y43-V194 HydrophobicContact CD1-CG2 3.93Å; Y43-V194 HydrophobicContact CE1-CB 4.31Å; Y43-V194 HydrophobicContact CE1-CG2 3.95Å; Y43-V194 HydrophobicContact CG-CG2 4.32Å
44	T	91.3	Very high	93.2	Very high	37 Å²	37	30.3 Å²	30.3	23%	0.227	16%	0.16	C	C	.	.			trans	-61.3	155.9	163.1	64.2	0	0	0	0	110.2	P40 E46 N47 I48	P40-T44 PolarHBondContact O-N 3.07Å; T44-E46 PolarHBondContact O-N 2.89Å; T44-N47 PolarHBondContact O-N 2.95Å; T44-N47 VanDerWaalsContact O-N 3.08Å; T44-N47 WeakPolarHBondContact OG1-CB 3.38Å; T44-N47 PolarHBondContact OG1-N 3.42Å; T44-I48 WeakPolarHBondContact O-CG1 3.42Å; T44-I48 PolarHBondContact O-N 3.42Å
45	E	92.5	Very high	93.3	Very high	96 Å²	96	34.7 Å²	34.7	45%	0.449	18%	0.178	S	C	.	.	H	α-helix	trans	-50.4	-45.4	173	155.5	167	-161.1	0	0	111.2	N47 I48 I49 F174	E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 3.31Å; E45-I48 PolarHBondContact O-N 3.24Å; E45-I49 HydrophobicContact CG-CD1 3.91Å; E45-I49 WeakPolarHBondContact O-CG1 3.33Å; E45-I49 PolarHBondContact O-N 2.78Å; E45-F174 HydrophobicContact CB-CE2 3.95Å; E45-F174 HydrophobicContact CG-CE2 3.5Å; E45-F174 HydrophobicContact CG-CZ 3.87Å
46	E	94.6	Very high	93.5	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.023	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-41.7	179.9	-67	76.8	-168.1	0	0	111.9	T44 I49 V50 I117 N118 K120 E121 F123	T44-E46 PolarHBondContact O-N 2.89Å; E46-I49 WeakPolarHBondContact O-CB 3.28Å; E46-I49 PolarHBondContact O-N 3.01Å; E46-V50 WeakPolarHBondContact O-CG2 3.07Å; E46-V50 PolarHBondContact O-N 3.36Å; E46-V50 VanDerWaalsContact O-N 3.11Å; E46-I117 HydrophobicContact CB-CB 4.05Å; E46-I117 HydrophobicContact CB-CG2 3.92Å; E46-I117 HydrophobicContact CG-CB 4.19Å; E46-I117 HydrophobicContact CG-CG2 4Å; E46-N118 HydrophobicContact CG-CB 4.31Å; E46-K120 VanDerWaalsContact CD-NZ 3.29Å; E46-K120 VanDerWaalsContact OE1-CD 3.3Å; E46-K120 WeakPolarHBondContact OE1-CD 3.17Å; E46-K120 IonicContact OE1-NZ 3.1Å; E46-K120 PolarHBondContact OE1-NZ 2.86Å; E46-K120 IonicContact OE2-NZ 3.99Å; E46-K120 PolarHBondContact OE2-NZ 2.77Å; E46-K120 VanDerWaalsContact OE2-NZ 3.14Å; E46-E121 HydrophobicContact CB-CB 4.28Å; E46-E121 HydrophobicContact CG-CB 4.18Å; E46-F123 HydrophobicContact CB-CE2 3.7Å; E46-F123 HydrophobicContact CB-CZ 3.72Å
47	N	93.1	Very high	93.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-38.7	178.5	-161.9	-20	0	0	0	112	E41 L42 T44 E45 I49 V50 H51 F123	E41-N47 PolarHBondContact O-ND2 2.72Å; L42-N47 PolarHBondContact O-ND2 3.36Å; T44-N47 PolarHBondContact O-N 2.95Å; T44-N47 VanDerWaalsContact O-N 3.08Å; T44-N47 WeakPolarHBondContact OG1-CB 3.38Å; T44-N47 PolarHBondContact OG1-N 3.42Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 3.31Å; N47-I49 VanDerWaalsContact C-N 3.34Å; N47-I49 PolarHBondContact O-N 3.4Å; N47-V50 PolarHBondContact O-N 2.83Å; N47-H51 PolarHBondContact O-N 3.04Å; N47-H51 VanDerWaalsContact O-N 3.08Å; N47-H51 PolarHBondContact O-ND1 3.45Å; N47-H51 PolarHBondContact OD1-CE1 2.78Å; N47-H51 PolarHBondContact OD1-ND1 3.25Å; N47-F123 HydrophobicContact CB-CE1 3.87Å; N47-F123 HydrophobicContact CB-CZ 4.1Å
48	I	93.4	Very high	93.9	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.062	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-43.5	173.2	-66.1	166.7	0	0	0	110.5	T44 E45 V50 H51 K52 M167 L170 F171 F174	T44-I48 WeakPolarHBondContact O-CG1 3.42Å; T44-I48 PolarHBondContact O-N 3.42Å; E45-I48 PolarHBondContact O-N 3.24Å; I48-V50 PolarHBondContact O-N 3.11Å; I48-H51 PolarHBondContact O-N 3.43Å; I48-K52 VanDerWaalsContact O-CB 3.31Å; I48-K52 WeakPolarHBondContact O-CB 3.37Å; I48-K52 PolarHBondContact O-N 2.83Å; I48-M167 HydrophobicContact CG1-CE 4.02Å; I48-L170 HydrophobicContact CD1-CB 4.1Å; I48-L170 HydrophobicContact CG1-CB 4.33Å; I48-F171 HydrophobicContact CG2-CD1 3.82Å; I48-F171 HydrophobicContact CG2-CE1 4.1Å; I48-F174 HydrophobicContact CG2-CB 4.05Å; I48-F174 HydrophobicContact CG2-CD1 4.3Å; I48-F174 HydrophobicContact CG2-CD2 4.3Å; I48-F174 HydrophobicContact CG2-CG 3.94Å
49	I	94.4	Very high	94.1	Very high	30 Å²	30	41 Å²	41	15%	0.154	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-47.8	176.7	-70.4	164.5	0	0	0	110.8	E45 E46 N47 H51 K52 I53 I117 F174	E45-I49 HydrophobicContact CG-CD1 3.91Å; E45-I49 WeakPolarHBondContact O-CG1 3.33Å; E45-I49 PolarHBondContact O-N 2.78Å; E46-I49 WeakPolarHBondContact O-CB 3.28Å; E46-I49 PolarHBondContact O-N 3.01Å; N47-I49 VanDerWaalsContact C-N 3.34Å; N47-I49 PolarHBondContact O-N 3.4Å; I49-H51 PolarHBondContact O-N 3.37Å; I49-K52 PolarHBondContact O-N 2.93Å; I49-I53 HydrophobicContact CG2-CD1 3.78Å; I49-I53 HydrophobicContact CG2-CG1 4.48Å; I49-I53 VanDerWaalsContact O-CG1 3.27Å; I49-I53 WeakPolarHBondContact O-CG1 3.35Å; I49-I53 PolarHBondContact O-N 3.03Å; I49-I117 HydrophobicContact CB-CG2 4.05Å; I49-I117 HydrophobicContact CD1-CG2 3.97Å; I49-I117 HydrophobicContact CG2-CG2 3.88Å; I49-F174 HydrophobicContact CD1-CZ 4.01Å; I49-F174 HydrophobicContact CG1-CE1 3.98Å; I49-F174 HydrophobicContact CG1-CZ 3.79Å
50	V	95.4	Very high	94.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-51.5	178.3	-179.1	0	0	0	0	110.6	E46 N47 I48 K52 I53 F54 L61 I117 F123	E46-V50 WeakPolarHBondContact O-CG2 3.07Å; E46-V50 PolarHBondContact O-N 3.36Å; E46-V50 VanDerWaalsContact O-N 3.11Å; N47-V50 PolarHBondContact O-N 2.83Å; I48-V50 PolarHBondContact O-N 3.11Å; V50-K52 VanDerWaalsContact C-N 3.3Å; V50-K52 PolarHBondContact O-N 3.33Å; V50-I53 PolarHBondContact O-N 2.99Å; V50-I53 VanDerWaalsContact O-N 3.13Å; V50-F54 HydrophobicContact CG1-CD2 3.89Å; V50-F54 HydrophobicContact CG1-CE2 3.85Å; V50-F54 WeakPolarHBondContact O-CD2 3.3Å; V50-F54 PolarHBondContact O-N 3.34Å; V50-L61 HydrophobicContact CG1-CD2 3.71Å; V50-I117 HydrophobicContact CG2-CD1 3.81Å; V50-I117 HydrophobicContact CG2-CG1 3.52Å; V50-F123 HydrophobicContact CG2-CB 4.26Å; V50-F123 HydrophobicContact CG2-CD1 4Å; V50-F123 HydrophobicContact CG2-CD2 3.81Å; V50-F123 HydrophobicContact CG2-CE1 4.35Å; V50-F123 HydrophobicContact CG2-CE2 4.17Å; V50-F123 HydrophobicContact CG2-CG 3.73Å; V50-F123 HydrophobicContact CG2-CZ 4.44Å
51	H	95.8	Very high	94.6	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.065	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-40.2	179.7	-76.2	79.6	0	0	0	112.5	N47 I48 I49 I53 F54 K55 F82 M167 F171	N47-H51 PolarHBondContact O-N 3.04Å; N47-H51 VanDerWaalsContact O-N 3.08Å; N47-H51 PolarHBondContact O-ND1 3.45Å; N47-H51 PolarHBondContact OD1-CE1 2.78Å; N47-H51 PolarHBondContact OD1-ND1 3.25Å; I48-H51 PolarHBondContact O-N 3.43Å; I49-H51 PolarHBondContact O-N 3.37Å; H51-I53 VanDerWaalsContact C-N 3.29Å; H51-I53 PolarHBondContact O-N 3.31Å; H51-F54 PolarHBondContact O-N 3.41Å; H51-K55 WeakPolarHBondContact O-CB 3.31Å; H51-K55 PolarHBondContact O-N 3.46Å; H51-F82 AromaticContact CE1-CE1 3.42Å; H51-F82 VanDerWaalsContact CE1-CE1 3.42Å; H51-F82 WeakPolarHBondContact CE1-CE1 3.4Å; H51-F82 AromaticContact CE1-CZ 3.81Å; H51-F82 AromaticContact NE2-CE1 3.82Å; H51-M167 HydrophobicContact CB-CE 3.84Å; H51-M167 HydrophobicContact CB-CG 3.94Å; H51-M167 VanDerWaalsContact CG-CE 3.45Å; H51-M167 VanDerWaalsContact ND1-CE 3.27Å; H51-M167 WeakPolarHBondContact ND1-CE 3.48Å; H51-F171 HydrophobicContact CB-CE1 4.06Å; H51-F171 HydrophobicContact CB-CZ 3.93Å
52	K	94.6	Very high	94.9	Very high	79 Å²	79	40.5 Å²	40.5	34%	0.343	20%	0.201	S	C	.	.	H	α-helix	trans	-61.9	-39.1	177.4	-173.1	176.1	176.6	-177.6	0	111.4	I48 I49 V50 K56 F171 N175	I48-K52 VanDerWaalsContact O-CB 3.31Å; I48-K52 WeakPolarHBondContact O-CB 3.37Å; I48-K52 PolarHBondContact O-N 2.83Å; I49-K52 PolarHBondContact O-N 2.93Å; V50-K52 VanDerWaalsContact C-N 3.3Å; V50-K52 PolarHBondContact O-N 3.33Å; K52-K56 VanDerWaalsContact O-CB 3.31Å; K52-K56 WeakPolarHBondContact O-CB 3.49Å; K52-K56 PolarHBondContact O-N 2.93Å; K52-F171 HydrophobicContact CB-CD1 4.14Å; K52-F171 HydrophobicContact CB-CE1 3.76Å; K52-F171 HydrophobicContact CB-CZ 4.4Å; K52-N175 PolarHBondContact NZ-OD1 2.89Å
53	I	96.4	Very high	95.2	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-51.7	177.6	-69.8	171.1	0	0	0	110.6	I49 V50 H51 K55 K56 Y57 M94 F95 E98 I100	I49-I53 HydrophobicContact CG2-CD1 3.78Å; I49-I53 HydrophobicContact CG2-CG1 4.48Å; I49-I53 VanDerWaalsContact O-CG1 3.27Å; I49-I53 WeakPolarHBondContact O-CG1 3.35Å; I49-I53 PolarHBondContact O-N 3.03Å; V50-I53 PolarHBondContact O-N 2.99Å; V50-I53 VanDerWaalsContact O-N 3.13Å; H51-I53 VanDerWaalsContact C-N 3.29Å; H51-I53 PolarHBondContact O-N 3.31Å; I53-K55 VanDerWaalsContact C-N 3.28Å; I53-K55 PolarHBondContact O-N 2.88Å; I53-K56 WeakPolarHBondContact O-CB 3.37Å; I53-K56 PolarHBondContact O-N 3.3Å; I53-K56 VanDerWaalsContact O-N 3.07Å; I53-Y57 HydrophobicContact CG2-CD2 4.15Å; I53-Y57 HydrophobicContact CG2-CE2 4.3Å; I53-Y57 WeakPolarHBondContact O-CD2 3.49Å; I53-Y57 PolarHBondContact O-N 3.32Å; I53-Y57 VanDerWaalsContact O-N 3.09Å; I53-M94 HydrophobicContact CG2-CG 3.45Å; I53-M94 VanDerWaalsContact CG2-CG 3.45Å; I53-M94 HydrophobicContact CG2-SD 3.56Å; I53-M94 VanDerWaalsContact CG2-SD 3.56Å; I53-F95 HydrophobicContact CG2-CE1 4.49Å; I53-E98 HydrophobicContact CD1-CB 4.18Å; I53-E98 HydrophobicContact CD1-CG 4.07Å; I53-E98 HydrophobicContact CG1-CG 4.09Å; I53-E98 HydrophobicContact CG2-CG 4.07Å; I53-I100 HydrophobicContact CD1-CD1 3.12Å
54	F	97.4	Very high	95.6	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-57.3	-43.2	177.6	-84.6	-97.1	0	0	0	111.9	V50 H51 K56 Y57 G58 F59 L61 T84 A86 M91 M94 F95 V125	V50-F54 HydrophobicContact CG1-CD2 3.89Å; V50-F54 HydrophobicContact CG1-CE2 3.85Å; V50-F54 WeakPolarHBondContact O-CD2 3.3Å; V50-F54 PolarHBondContact O-N 3.34Å; H51-F54 PolarHBondContact O-N 3.41Å; F54-K56 PolarHBondContact O-N 3.44Å; F54-Y57 PolarHBondContact O-N 3.23Å; F54-G58 PolarHBondContact O-N 2.68Å; F54-G58 VanDerWaalsContact O-N 3.07Å; F54-F59 CarbonylContact C-O 3.57Å; F54-F59 HydrophobicContact CD1-CB 3.82Å; F54-F59 PolarHBondContact O-N 3.03Å; F54-L61 HydrophobicContact CB-CB 3.97Å; F54-L61 HydrophobicContact CB-CD2 4.39Å; F54-L61 HydrophobicContact CD1-CB 4.2Å; F54-L61 HydrophobicContact CD1-CD1 3.98Å; F54-L61 HydrophobicContact CD2-CD1 4.05Å; F54-L61 HydrophobicContact CD2-CD2 3.84Å; F54-L61 HydrophobicContact CD2-CG 4.37Å; F54-L61 HydrophobicContact CE1-CD1 3.97Å; F54-L61 HydrophobicContact CE2-CD1 4.01Å; F54-L61 HydrophobicContact CE2-CD2 4.35Å; F54-L61 HydrophobicContact CG-CB 3.98Å; F54-L61 HydrophobicContact CG-CD1 4.04Å; F54-L61 HydrophobicContact CG-CD2 4.1Å; F54-L61 HydrophobicContact CG-CG 4.27Å; F54-L61 HydrophobicContact CZ-CD1 4Å; F54-T84 WeakPolarHBondContact CD1-OG1 3.24Å; F54-T84 HydrophobicContact CE1-CG2 3.85Å; F54-T84 VanDerWaalsContact CE1-OG1 3.27Å; F54-T84 WeakPolarHBondContact CE1-OG1 3.23Å; F54-T84 HydrophobicContact CZ-CG2 4.5Å; F54-A86 HydrophobicContact CE1-CB 4.07Å; F54-M91 HydrophobicContact CE1-CG 4.38Å; F54-M91 HydrophobicContact CE1-SD 4.37Å; F54-M91 HydrophobicContact CZ-CG 4.25Å; F54-M91 HydrophobicContact CZ-SD 4.04Å; F54-M94 HydrophobicContact CD1-CE 4.04Å; F54-M94 HydrophobicContact CD2-CE 4.31Å; F54-M94 HydrophobicContact CD2-SD 4.46Å; F54-M94 HydrophobicContact CE1-CE 3.6Å; F54-M94 HydrophobicContact CE2-CE 3.94Å; F54-M94 HydrophobicContact CG-CE 4.36Å; F54-M94 HydrophobicContact CG-SD 4.41Å; F54-M94 HydrophobicContact CZ-CE 3.53Å; F54-F95 HydrophobicContact CE2-CE1 4.21Å; F54-F95 HydrophobicContact CE2-CE2 4.39Å; F54-F95 AromaticContact CE2-CZ 3.6Å; F54-F95 HydrophobicContact CE2-CZ 3.6Å; F54-F95 HydrophobicContact CZ-CE2 4.34Å; F54-F95 AromaticContact CZ-CZ 3.99Å; F54-F95 HydrophobicContact CZ-CZ 3.99Å; F54-V125 HydrophobicContact CE1-CG1 4.12Å; F54-V125 HydrophobicContact CE2-CG1 4.43Å; F54-V125 HydrophobicContact CE2-CG2 4.26Å; F54-V125 HydrophobicContact CZ-CB 4.27Å; F54-V125 HydrophobicContact CZ-CG1 3.65Å; F54-V125 HydrophobicContact CZ-CG2 4.17Å
55	K	95.2	Very high	95.7	Very high	110 Å²	110	37 Å²	37	48%	0.478	19%	0.185	S	C	.	.	H	α-helix	trans	-61.3	-43.4	174.8	-173.4	171.6	-178.7	173.8	0	112.7	H51 I53 Y57 G58 F171	H51-K55 WeakPolarHBondContact O-CB 3.31Å; H51-K55 PolarHBondContact O-N 3.46Å; I53-K55 VanDerWaalsContact C-N 3.28Å; I53-K55 PolarHBondContact O-N 2.88Å; K55-Y57 VanDerWaalsContact C-N 3.28Å; K55-Y57 PolarHBondContact O-N 3.11Å; K55-G58 PolarHBondContact O-N 3.26Å; K55-G58 VanDerWaalsContact O-N 3.15Å; K55-F171 HydrophobicContact CD-CD2 4.22Å; K55-F171 HydrophobicContact CD-CE2 3.5Å; K55-F171 VanDerWaalsContact CD-CE2 3.5Å; K55-F171 HydrophobicContact CD-CZ 4.23Å
56	K	96.1	Very high	95.8	Very high	135 Å²	135	33.5 Å²	33.5	59%	0.587	17%	0.174	S	C	*	.	H	α-helix	trans	-58.8	-38.6	177.6	176	-176.8	176.9	-175	0	112.2	K52 I53 F54 E98	K52-K56 VanDerWaalsContact O-CB 3.31Å; K52-K56 WeakPolarHBondContact O-CB 3.49Å; K52-K56 PolarHBondContact O-N 2.93Å; I53-K56 WeakPolarHBondContact O-CB 3.37Å; I53-K56 PolarHBondContact O-N 3.3Å; I53-K56 VanDerWaalsContact O-N 3.07Å; F54-K56 PolarHBondContact O-N 3.44Å; K56-E98 WeakPolarHBondContact CE-OE1 3.35Å; K56-E98 IonicContact NZ-OE1 3.82Å; K56-E98 PolarHBondContact NZ-OE1 3.21Å; K56-E98 IonicContact NZ-OE2 3.64Å; K56-E98 PolarHBondContact NZ-OE2 3.22Å
57	Y	97.7	Very high	95.9	Very high	67 Å²	67	33.3 Å²	33.3	26%	0.263	17%	0.174	S	C	.	.	H	α-helix	trans	-90.5	1.5	179.9	-73.1	-93.8	0	0	0	113.7	I53 F54 K55 M94 K97 E98	I53-Y57 HydrophobicContact CG2-CD2 4.15Å; I53-Y57 HydrophobicContact CG2-CE2 4.3Å; I53-Y57 WeakPolarHBondContact O-CD2 3.49Å; I53-Y57 PolarHBondContact O-N 3.32Å; I53-Y57 VanDerWaalsContact O-N 3.09Å; F54-Y57 PolarHBondContact O-N 3.23Å; K55-Y57 VanDerWaalsContact C-N 3.28Å; K55-Y57 PolarHBondContact O-N 3.11Å; Y57-M94 HydrophobicContact CD1-CB 4.2Å; Y57-M94 HydrophobicContact CD1-CG 4.41Å; Y57-M94 HydrophobicContact CD2-CB 4.23Å; Y57-M94 HydrophobicContact CD2-CG 3.56Å; Y57-M94 HydrophobicContact CD2-SD 3.83Å; Y57-M94 HydrophobicContact CE1-CB 4.35Å; Y57-M94 HydrophobicContact CE2-CB 4.39Å; Y57-M94 HydrophobicContact CE2-CG 3.83Å; Y57-M94 HydrophobicContact CG-CB 4.14Å; Y57-M94 HydrophobicContact CG-CG 3.89Å; Y57-M94 HydrophobicContact CG-SD 3.97Å; Y57-K97 HydrophobicContact CE1-CD 4.11Å; Y57-K97 WeakPolarHBondContact OH-CB 3.3Å; Y57-E98 HydrophobicContact CE2-CG 3.89Å; Y57-E98 WeakPolarHBondContact CE2-OE1 3.21Å; Y57-E98 PolarHBondContact OH-OE1 2.75Å
58	G	96.6	Very high	96	Very high	60 Å²	60	33.3 Å²	33.3	62%	0.619	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	27.4	175.2	0	0	0	0	0	114.6	F54 K55	F54-G58 PolarHBondContact O-N 2.68Å; F54-G58 VanDerWaalsContact O-N 3.07Å; K55-G58 PolarHBondContact O-N 3.26Å; K55-G58 VanDerWaalsContact O-N 3.15Å
59	F	97.7	Very high	96.2	Very high	40 Å²	40	33 Å²	33	18%	0.175	17%	0.172	C	C	.	.			trans	-107.9	144.3	176	-64.9	-66.7	0	0	0	111.4	F54 N85 A86 Q90 M94	F54-F59 CarbonylContact C-O 3.57Å; F54-F59 HydrophobicContact CD1-CB 3.82Å; F54-F59 PolarHBondContact O-N 3.03Å; F59-N85 WeakPolarHBondContact CA-OD1 3.43Å; F59-N85 WeakPolarHBondContact CB-OD1 3.39Å; F59-N85 WeakPolarHBondContact CD1-OD1 3.36Å; F59-A86 HydrophobicContact CB-CB 4.01Å; F59-A86 HydrophobicContact CD1-CB 3.65Å; F59-A86 HydrophobicContact CD2-CB 3.81Å; F59-A86 HydrophobicContact CE1-CB 4.01Å; F59-A86 HydrophobicContact CE2-CB 4.16Å; F59-A86 HydrophobicContact CG-CB 3.55Å; F59-A86 HydrophobicContact CZ-CB 4.26Å; F59-Q90 HydrophobicContact CE2-CB 4.21Å; F59-Q90 HydrophobicContact CZ-CB 3.88Å; F59-Q90 HydrophobicContact CZ-CG 4.04Å; F59-M94 HydrophobicContact CD2-SD 4.42Å
60	D	97	Very high	96.2	Very high	70 Å²	70	32.4 Å²	32.4	37%	0.374	17%	0.169	S	C	.	.			trans	-76.5	143.2	174.8	-63.6	-20.1	0	0	0	109.3	T84 N85 W147	D60-T84 VanDerWaalsContact O-CA 3.29Å; D60-T84 WeakPolarHBondContact O-CA 3.41Å; D60-T84 WeakPolarHBondContact O-CB 3.39Å; D60-T84 PolarHBondContact O-OG1 2.99Å; D60-N85 PolarHBondContact N-OD1 3.28Å; D60-W147 HydrophobicContact CB-CZ2 3.72Å
61	L	97.4	Very high	96.2	Very high	16 Å²	16	32.7 Å²	32.7	8%	0.084	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125.9	173.7	-170.3	72.4	0	0	0	109	V50 F54 F82 V125	V50-L61 HydrophobicContact CG1-CD2 3.71Å; F54-L61 HydrophobicContact CB-CB 3.97Å; F54-L61 HydrophobicContact CB-CD2 4.39Å; F54-L61 HydrophobicContact CD1-CB 4.2Å; F54-L61 HydrophobicContact CD1-CD1 3.98Å; F54-L61 HydrophobicContact CD2-CD1 4.05Å; F54-L61 HydrophobicContact CD2-CD2 3.84Å; F54-L61 HydrophobicContact CD2-CG 4.37Å; F54-L61 HydrophobicContact CE1-CD1 3.97Å; F54-L61 HydrophobicContact CE2-CD1 4.01Å; F54-L61 HydrophobicContact CE2-CD2 4.35Å; F54-L61 HydrophobicContact CG-CB 3.98Å; F54-L61 HydrophobicContact CG-CD1 4.04Å; F54-L61 HydrophobicContact CG-CD2 4.1Å; F54-L61 HydrophobicContact CG-CG 4.27Å; F54-L61 HydrophobicContact CZ-CD1 4Å; L61-F82 HydrophobicContact CD1-CB 3.73Å; L61-F82 HydrophobicContact CD1-CD1 4.13Å; L61-F82 HydrophobicContact CD1-CG 4.14Å; L61-F82 HydrophobicContact CD2-CD1 4.04Å; L61-F82 HydrophobicContact CD2-CE1 4.37Å; L61-F82 HydrophobicContact CD2-CG 4.48Å; L61-F82 HydrophobicContact CG-CB 4.36Å; L61-F82 HydrophobicContact CG-CD1 3.8Å; L61-F82 HydrophobicContact CG-CE1 4.49Å; L61-F82 HydrophobicContact CG-CG 4.3Å; L61-V125 HydrophobicContact CD1-CG1 3.7Å; L61-V125 HydrophobicContact CD1-CG2 4.46Å
62	R	97.4	Very high	96.2	Very high	27 Å²	27	34 Å²	34	10%	0.102	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.3	178.4	-58.5	-175	175.7	138.5	0.6	110.8	F82 A83 W147 F162 L163 E164	R62-F82 CarbonylContact O-C 3.58Å; R62-F82 WeakPolarHBondContact O-CA 3.26Å; R62-A83 PolarHBondContact N-O 3.08Å; R62-A83 PolarHBondContact O-N 3.02Å; R62-W147 HydrophobicContact CB-CH2 3.53Å; R62-W147 HydrophobicContact CB-CZ2 4.45Å; R62-W147 HydrophobicContact CB-CZ3 3.73Å; R62-W147 HydrophobicContact CG-CH2 3.45Å; R62-W147 VanDerWaalsContact CG-CH2 3.45Å; R62-W147 HydrophobicContact CG-CZ2 3.89Å; R62-W147 HydrophobicContact CG-CZ3 3.94Å; R62-W147 VanDerWaalsContact NH1-CD1 3.26Å; R62-W147 VanDerWaalsContact NH1-CG 3.25Å; R62-W147 VanDerWaalsContact NH1-NE1 3.12Å; R62-F162 HydrophobicContact CB-CB 4.27Å; R62-L163 WeakPolarHBondContact CA-O 3.46Å; R62-L163 WeakPolarHBondContact CB-O 3.5Å; R62-E164 HydrophobicContact CG-CB 3.96Å; R62-E164 HydrophobicContact CG-CG 4.34Å; R62-E164 IonicContact CZ-OE2 3.6Å; R62-E164 VanDerWaalsContact CZ-OE2 3.27Å; R62-E164 IonicContact NE-OE2 3.66Å; R62-E164 PolarHBondContact NE-OE2 3.49Å; R62-E164 IonicContact NH2-OE2 3Å; R62-E164 PolarHBondContact NH2-OE2 3.37Å
63	I	97.1	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	140.3	168.8	-57.5	167.1	0	0	0	107.9	L42 A67 V68 I71 I80 F82 F162 L163 V165	L42-I63 HydrophobicContact CD1-CD1 4.18Å; L42-I63 HydrophobicContact CD2-CD1 3.81Å; L42-I63 HydrophobicContact CG-CD1 4.5Å; I63-A67 HydrophobicContact CG2-CB 3.52Å; I63-V68 HydrophobicContact CB-CG2 4.26Å; I63-V68 HydrophobicContact CG2-CG2 3.87Å; I63-V68 WeakPolarHBondContact O-CG2 3.49Å; I63-I71 HydrophobicContact CD1-CD1 4.23Å; I63-I80 HydrophobicContact CD1-CG2 4.48Å; I63-I80 HydrophobicContact CG1-CG2 4.04Å; I63-I80 HydrophobicContact CG2-CG2 4.04Å; I63-F82 HydrophobicContact CG1-CD1 4.21Å; I63-F82 HydrophobicContact CG1-CE1 3.65Å; I63-F82 HydrophobicContact CG1-CZ 4.29Å; I63-F162 CarbonylContact O-C 3.52Å; I63-F162 VanDerWaalsContact O-CA 3.27Å; I63-F162 WeakPolarHBondContact O-CA 3.45Å; I63-L163 HydrophobicContact CB-CB 4.28Å; I63-L163 HydrophobicContact CD1-CD2 4.29Å; I63-L163 PolarHBondContact N-O 3.33Å; I63-L163 PolarHBondContact O-N 2.64Å; I63-V165 HydrophobicContact CD1-CG2 3.7Å; I63-V165 HydrophobicContact CG1-CG2 4.4Å
64	A	96.6	Very high	96.1	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.3	-174.2	0	0	0	0	0	113.6	G66 D81 A83 F162	A64-G66 PolarHBondContact O-N 2.93Å; A64-D81 PolarHBondContact N-O 3.17Å; A64-A83 HydrophobicContact CB-CB 3.86Å; A64-F162 HydrophobicContact CB-CD1 3.75Å; A64-F162 HydrophobicContact CB-CE1 3.92Å
65	G	94.2	Very high	95.9	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.021	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-114.1	162	0	0	0	0	0	115.2	A67 V68 R69 N159 M161	G65-A67 VanDerWaalsContact C-N 3.34Å; G65-A67 PolarHBondContact O-N 3.3Å; G65-V68 PolarHBondContact O-N 3.42Å; G65-R69 PolarHBondContact O-N 3.24Å; G65-R69 VanDerWaalsContact O-N 3.16Å; G65-N159 VanDerWaalsContact CA-O 3.27Å; G65-N159 WeakPolarHBondContact CA-O 3.42Å; G65-M161 PolarHBondContact N-O 2.99Å
66	G	94	Very high	95.7	Very high	22 Å²	22	37.2 Å²	37.2	23%	0.227	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-38.7	-169.2	0	0	0	0	0	113.7	A64 R69 D70	A64-G66 PolarHBondContact O-N 2.93Å; G66-R69 PolarHBondContact O-N 2.98Å; G66-R69 PolarHBondContact O-NH2 3.06Å; G66-R69 VanDerWaalsContact O-NH2 3.07Å; G66-D70 PolarHBondContact O-N 2.97Å; G66-D70 VanDerWaalsContact O-N 3.11Å
67	A	95.4	Very high	95.5	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-41.1	177.6	0	0	0	0	0	111.6	I63 G65 R69 D70 I71 P77	I63-A67 HydrophobicContact CG2-CB 3.52Å; G65-A67 VanDerWaalsContact C-N 3.34Å; G65-A67 PolarHBondContact O-N 3.3Å; A67-R69 VanDerWaalsContact C-N 3.35Å; A67-R69 PolarHBondContact O-N 3.32Å; A67-D70 PolarHBondContact O-N 3.36Å; A67-I71 WeakPolarHBondContact O-CD1 3.5Å; A67-I71 VanDerWaalsContact O-CG1 3.29Å; A67-I71 WeakPolarHBondContact O-CG1 3.26Å; A67-I71 PolarHBondContact O-N 3.33Å; A67-P77 HydrophobicContact CB-CB 3.85Å
68	V	96.8	Very high	94.6	Very high	1 Å²	1	36 Å²	36	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-45.1	176.7	-176.2	0	0	0	0	111.1	I63 G65 D70 I71 L72 M161 L163 L198	I63-V68 HydrophobicContact CB-CG2 4.26Å; I63-V68 HydrophobicContact CG2-CG2 3.87Å; I63-V68 WeakPolarHBondContact O-CG2 3.49Å; G65-V68 PolarHBondContact O-N 3.42Å; V68-D70 VanDerWaalsContact C-N 3.3Å; V68-D70 PolarHBondContact O-N 3.02Å; V68-I71 PolarHBondContact O-N 3.47Å; V68-L72 HydrophobicContact CG1-CD1 4.22Å; V68-L72 VanDerWaalsContact O-CG 3.31Å; V68-L72 WeakPolarHBondContact O-CG 3.38Å; V68-L72 PolarHBondContact O-N 3.4Å; V68-M161 HydrophobicContact CB-CB 4.41Å; V68-M161 HydrophobicContact CG1-CB 3.81Å; V68-M161 HydrophobicContact CG1-CE 4.45Å; V68-L163 HydrophobicContact CG1-CB 4.11Å; V68-L163 HydrophobicContact CG2-CB 3.83Å; V68-L198 HydrophobicContact CG1-CD1 3.64Å
69	R	96.1	Very high	94	Very high	6 Å²	6	39.7 Å²	39.7	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-42.5	176.1	-175.7	-163.5	63.3	-110.3	-20.2	111.8	G65 G66 A67 L72 L73 V158 N159 L208 R239	G65-R69 PolarHBondContact O-N 3.24Å; G65-R69 VanDerWaalsContact O-N 3.16Å; G66-R69 PolarHBondContact O-N 2.98Å; G66-R69 PolarHBondContact O-NH2 3.06Å; G66-R69 VanDerWaalsContact O-NH2 3.07Å; A67-R69 VanDerWaalsContact C-N 3.35Å; A67-R69 PolarHBondContact O-N 3.32Å; R69-L72 PolarHBondContact O-N 2.7Å; R69-L73 HydrophobicContact CG-CD1 4.42Å; R69-L73 WeakPolarHBondContact O-CG 3.47Å; R69-L73 PolarHBondContact O-N 3.15Å; R69-L73 VanDerWaalsContact O-N 3.14Å; R69-V158 WeakPolarHBondContact CB-O 3.05Å; R69-N159 PolarHBondContact NH1-OD1 3.23Å; R69-L208 HydrophobicContact CG-CD1 3.7Å; R69-L208 HydrophobicContact CG-CD2 3.97Å; R69-L208 HydrophobicContact CG-CG 4.49Å; R69-R239 VanDerWaalsContact NH2-NH2 3.14Å
70	D	95.5	Very high	93.6	Very high	16 Å²	16	39 Å²	39	9%	0.086	22%	0.224	C	C	.	.	H	α-helix	trans	-69.6	-42.2	-177.1	-65.6	-13.8	0	0	0	111	G66 A67 V68 L72 L73 G74 I75 P77 R239	G66-D70 PolarHBondContact O-N 2.97Å; G66-D70 VanDerWaalsContact O-N 3.11Å; A67-D70 PolarHBondContact O-N 3.36Å; V68-D70 VanDerWaalsContact C-N 3.3Å; V68-D70 PolarHBondContact O-N 3.02Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 3.49Å; D70-L73 CarbonylContact O-C 3.57Å; D70-L73 WeakPolarHBondContact O-CA 3.47Å; D70-L73 WeakPolarHBondContact O-CB 3.28Å; D70-L73 PolarHBondContact O-N 3.49Å; D70-G74 PolarHBondContact O-N 2.99Å; D70-I75 CarbonylContact C-O 3.57Å; D70-I75 HydrophobicContact CB-CB 4.32Å; D70-I75 PolarHBondContact O-N 2.96Å; D70-I75 VanDerWaalsContact O-O 3.06Å; D70-P77 HydrophobicContact CB-CB 4.43Å; D70-R239 IonicContact OD1-CZ 3.5Å; D70-R239 IonicContact OD1-NE 2.82Å; D70-R239 IonicContact OD1-NH2 3.34Å; D70-R239 PolarHBondContact OD1-NH2 2.98Å; D70-R239 IonicContact OD2-CZ 3.57Å; D70-R239 IonicContact OD2-NH2 3.8Å; D70-R239 PolarHBondContact OD2-NH2 3.5Å
71	I	95.7	Very high	93.4	Very high	6 Å²	6	39 Å²	39	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-55.8	-46.8	171.4	-68.1	162.5	0	0	0	111	I34 L36 F39 L42 I63 A67 V68 L73 G74 P77 L163	I34-I71 HydrophobicContact CG2-CG2 4.38Å; L36-I71 HydrophobicContact CD2-CG2 3.72Å; F39-I71 HydrophobicContact CD2-CG2 4.22Å; F39-I71 HydrophobicContact CE2-CG2 3.8Å; F39-I71 HydrophobicContact CZ-CB 4.39Å; F39-I71 HydrophobicContact CZ-CG2 4.05Å; F39-I71 WeakPolarHBondContact CZ-O 3.12Å; L42-I71 HydrophobicContact CD1-CD1 3.65Å; L42-I71 HydrophobicContact CD1-CG1 4.24Å; L42-I71 HydrophobicContact CD2-CD1 4.2Å; I63-I71 HydrophobicContact CD1-CD1 4.23Å; A67-I71 WeakPolarHBondContact O-CD1 3.5Å; A67-I71 VanDerWaalsContact O-CG1 3.29Å; A67-I71 WeakPolarHBondContact O-CG1 3.26Å; A67-I71 PolarHBondContact O-N 3.33Å; V68-I71 PolarHBondContact O-N 3.47Å; I71-L73 PolarHBondContact O-N 3.16Å; I71-G74 PolarHBondContact O-N 3.14Å; I71-P77 HydrophobicContact CD1-CG 4.32Å; I71-P77 HydrophobicContact CG1-CG 4.01Å; I71-L163 HydrophobicContact CD1-CD2 3.7Å; I71-L163 HydrophobicContact CG2-CD2 4.19Å
72	L	95.4	Very high	93.4	Very high	41 Å²	41	38.2 Å²	38.2	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-20.2	179.1	-69.3	176.8	0	0	0	113.6	I34 V68 R69 D70 M161 L198 L208	I34-L72 HydrophobicContact CD1-CD2 3.74Å; I34-L72 HydrophobicContact CG1-CD2 4.15Å; V68-L72 HydrophobicContact CG1-CD1 4.22Å; V68-L72 VanDerWaalsContact O-CG 3.31Å; V68-L72 WeakPolarHBondContact O-CG 3.38Å; V68-L72 PolarHBondContact O-N 3.4Å; R69-L72 PolarHBondContact O-N 2.7Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 3.49Å; L72-M161 HydrophobicContact CD1-CE 3.65Å; L72-M161 HydrophobicContact CD1-SD 3.67Å; L72-L198 HydrophobicContact CD1-CD1 4.11Å; L72-L198 HydrophobicContact CD1-CD2 4.29Å; L72-L198 HydrophobicContact CD2-CD2 4.39Å; L72-L208 HydrophobicContact CB-CD2 3.6Å; L72-L208 HydrophobicContact CD1-CD2 4.14Å
73	L	94.1	Very high	93.4	Very high	70 Å²	70	37 Å²	37	37%	0.366	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-2.2	172.2	-70.3	171.5	0	0	0	113.3	R69 D70 I71 I75 L208 L240	R69-L73 HydrophobicContact CG-CD1 4.42Å; R69-L73 WeakPolarHBondContact O-CG 3.47Å; R69-L73 PolarHBondContact O-N 3.15Å; R69-L73 VanDerWaalsContact O-N 3.14Å; D70-L73 CarbonylContact O-C 3.57Å; D70-L73 WeakPolarHBondContact O-CA 3.47Å; D70-L73 WeakPolarHBondContact O-CB 3.28Å; D70-L73 PolarHBondContact O-N 3.49Å; I71-L73 PolarHBondContact O-N 3.16Å; L73-I75 VanDerWaalsContact C-N 3.28Å; L73-I75 HydrophobicContact CB-CD1 3.89Å; L73-I75 HydrophobicContact CB-CG1 4.07Å; L73-I75 HydrophobicContact CD1-CD1 4.16Å; L73-L208 HydrophobicContact CD1-CD1 4.13Å; L73-L208 HydrophobicContact CD2-CD1 3.87Å; L73-L208 HydrophobicContact CD2-CD2 4.37Å; L73-L208 HydrophobicContact CD2-CG 4.05Å; L73-L208 HydrophobicContact CG-CD1 4.03Å; L73-L208 HydrophobicContact CG-CD2 4.19Å; L73-L208 HydrophobicContact CG-CG 4.33Å; L73-L240 HydrophobicContact CD1-CD2 3.76Å
74	G	94.2	Very high	93.5	Very high	60 Å²	60	37 Å²	37	62%	0.619	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.4	15.6	-173.2	0	0	0	0	0	113.6	D70 I71	D70-G74 PolarHBondContact O-N 2.99Å; I71-G74 PolarHBondContact O-N 3.14Å
75	I	93.2	Very high	93.5	Very high	83 Å²	83	38.1 Å²	38.1	43%	0.426	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-102.2	130.8	-177.7	-60.9	169.3	0	0	0	108.7	D70 L73 P77	D70-I75 CarbonylContact C-O 3.57Å; D70-I75 HydrophobicContact CB-CB 4.32Å; D70-I75 PolarHBondContact O-N 2.96Å; D70-I75 VanDerWaalsContact O-O 3.06Å; L73-I75 VanDerWaalsContact C-N 3.28Å; L73-I75 HydrophobicContact CB-CD1 3.89Å; L73-I75 HydrophobicContact CB-CG1 4.07Å; L73-I75 HydrophobicContact CD1-CD1 4.16Å; I75-P77 WeakPolarHBondContact O-CD 3.48Å
76	S	92.3	Very high	93.7	Very high	56 Å²	56	38 Å²	38	39%	0.392	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-60.8	120.1	173.8	-178.2	0	0	0	0	110.3	E41	E41-S76 WeakPolarHBondContact OE1-CA 3.46Å; E41-S76 VanDerWaalsContact OE1-CB 3.23Å; E41-S76 WeakPolarHBondContact OE1-CB 3.45Å; E41-S76 PolarHBondContact OE1-OG 3.3Å
77	P	91.2	Very high	93.7	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.039	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-71.2	131.9	177.7	29.5	-34.5	0	0	0	110.5	E41 L42 A67 D70 I71 I75 I80	E41-P77 HydrophobicContact CG-CG 4.49Å; E41-P77 WeakPolarHBondContact OE1-CD 3.38Å; L42-P77 HydrophobicContact CD2-CG 4.12Å; A67-P77 HydrophobicContact CB-CB 3.85Å; D70-P77 HydrophobicContact CB-CB 4.43Å; I71-P77 HydrophobicContact CD1-CG 4.32Å; I71-P77 HydrophobicContact CG1-CG 4.01Å; I75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-I80 HydrophobicContact CB-CG1 4.39Å; P77-I80 HydrophobicContact CG-CG1 4.16Å
78	H	79.6	Confident	93.7	Very high	171 Å²	171	39 Å²	39	79%	0.792	22%	0.222	S	C	*	.	S	Bend	trans	-81.2	-47.6	178.3	-68.5	-54.2	0	0	0	113.2
79	D	82.5	Confident	93.5	Very high	136 Å²	136	43.2 Å²	43.2	73%	0.727	25%	0.249	S	C	*	.	S	Bend	trans	-113.5	106.6	179.6	-59.5	-45.9	0	0	0	107.9	D81	D79-D81 PolarHBondContact O-N 3.11Å
80	I	90.8	Very high	93.6	Very high	26 Å²	26	46.4 Å²	46.4	13%	0.133	26%	0.264	C	S	.	.			trans	-87.2	103.5	-179.8	-55.7	167.1	0	0	0	108.6	L42 I63 P77 F82	L42-I80 HydrophobicContact CD2-CD1 3.62Å; L42-I80 HydrophobicContact CD2-CG1 4.27Å; I63-I80 HydrophobicContact CD1-CG2 4.48Å; I63-I80 HydrophobicContact CG1-CG2 4.04Å; I63-I80 HydrophobicContact CG2-CG2 4.04Å; P77-I80 HydrophobicContact CB-CG1 4.39Å; P77-I80 HydrophobicContact CG-CG1 4.16Å; I80-F82 HydrophobicContact CB-CE2 4.19Å; I80-F82 HydrophobicContact CG2-CD2 4.19Å; I80-F82 HydrophobicContact CG2-CE1 4.19Å; I80-F82 HydrophobicContact CG2-CE2 3.5Å; I80-F82 HydrophobicContact CG2-CZ 3.54Å
81	D	92.5	Very high	93.6	Very high	69 Å²	69	45.7 Å²	45.7	37%	0.369	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.3	172.3	-68	-23.6	0	0	0	110.4	A64 D79	A64-D81 PolarHBondContact N-O 3.17Å; D79-D81 PolarHBondContact O-N 3.11Å
82	F	97.1	Very high	93.5	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.9	172.3	-69.2	-80.7	0	0	0	112.2	H51 L61 R62 I63 I80 F123 E124 V125 T126	H51-F82 AromaticContact CE1-CE1 3.42Å; H51-F82 VanDerWaalsContact CE1-CE1 3.42Å; H51-F82 WeakPolarHBondContact CE1-CE1 3.4Å; H51-F82 AromaticContact CE1-CZ 3.81Å; H51-F82 AromaticContact NE2-CE1 3.82Å; L61-F82 HydrophobicContact CD1-CB 3.73Å; L61-F82 HydrophobicContact CD1-CD1 4.13Å; L61-F82 HydrophobicContact CD1-CG 4.14Å; L61-F82 HydrophobicContact CD2-CD1 4.04Å; L61-F82 HydrophobicContact CD2-CE1 4.37Å; L61-F82 HydrophobicContact CD2-CG 4.48Å; L61-F82 HydrophobicContact CG-CB 4.36Å; L61-F82 HydrophobicContact CG-CD1 3.8Å; L61-F82 HydrophobicContact CG-CE1 4.49Å; L61-F82 HydrophobicContact CG-CG 4.3Å; R62-F82 CarbonylContact O-C 3.58Å; R62-F82 WeakPolarHBondContact O-CA 3.26Å; I63-F82 HydrophobicContact CG1-CD1 4.21Å; I63-F82 HydrophobicContact CG1-CE1 3.65Å; I63-F82 HydrophobicContact CG1-CZ 4.29Å; I80-F82 HydrophobicContact CB-CE2 4.19Å; I80-F82 HydrophobicContact CG2-CD2 4.19Å; I80-F82 HydrophobicContact CG2-CE1 4.19Å; I80-F82 HydrophobicContact CG2-CE2 3.5Å; I80-F82 HydrophobicContact CG2-CZ 3.54Å; F82-F123 HydrophobicContact CD2-CD1 4.28Å; F82-F123 AromaticContact CE2-CD1 3.66Å; F82-F123 HydrophobicContact CE2-CD1 3.66Å; F82-F123 HydrophobicContact CE2-CE1 4.25Å; F82-E124 PolarHBondContact N-O 3.45Å; F82-V125 HydrophobicContact CB-CB 4.39Å; F82-V125 HydrophobicContact CB-CG1 4.13Å; F82-V125 HydrophobicContact CB-CG2 4.13Å; F82-T126 PolarHBondContact O-N 3.36Å
83	A	97.9	Very high	93.6	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.017	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.6	169.5	0	0	0	0	0	110.7	R62 A64 T126 L128 W147 F162	R62-A83 PolarHBondContact N-O 3.08Å; R62-A83 PolarHBondContact O-N 3.02Å; A64-A83 HydrophobicContact CB-CB 3.86Å; A83-T126 VanDerWaalsContact CA-O 3.27Å; A83-T126 WeakPolarHBondContact CA-O 3.18Å; A83-L128 HydrophobicContact CB-CD2 4.02Å; A83-W147 HydrophobicContact CB-CH2 4.19Å; A83-W147 HydrophobicContact CB-CZ3 3.82Å; A83-W147 WeakPolarHBondContact O-CH2 3.43Å; A83-F162 HydrophobicContact CB-CD1 4.28Å; A83-F162 HydrophobicContact CB-CE1 4.05Å
84	T	98.2	Very high	93.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.6	-177.2	-175.2	0	0	0	0	112.7	F54 D60 A86 M91 V125 T126 T127 L128	F54-T84 WeakPolarHBondContact CD1-OG1 3.24Å; F54-T84 HydrophobicContact CE1-CG2 3.85Å; F54-T84 VanDerWaalsContact CE1-OG1 3.27Å; F54-T84 WeakPolarHBondContact CE1-OG1 3.23Å; F54-T84 HydrophobicContact CZ-CG2 4.5Å; D60-T84 VanDerWaalsContact O-CA 3.29Å; D60-T84 WeakPolarHBondContact O-CA 3.41Å; D60-T84 WeakPolarHBondContact O-CB 3.39Å; D60-T84 PolarHBondContact O-OG1 2.99Å; T84-A86 VanDerWaalsContact C-N 3.28Å; T84-A86 HydrophobicContact CG2-CB 3.9Å; T84-A86 WeakPolarHBondContact CG2-O 3.47Å; T84-A86 PolarHBondContact OG1-N 2.67Å; T84-A86 VanDerWaalsContact OG1-N 3.08Å; T84-M91 HydrophobicContact CG2-CE 4.38Å; T84-M91 HydrophobicContact CG2-SD 3.8Å; T84-V125 HydrophobicContact CG2-CG1 3.51Å; T84-T126 PolarHBondContact N-O 3.48Å; T84-T127 CarbonylContact O-C 3.27Å; T84-T127 WeakPolarHBondContact O-CA 3.27Å; T84-L128 WeakPolarHBondContact O-CG 3.49Å; T84-L128 PolarHBondContact O-N 2.88Å
85	N	97.3	Very high	93.8	Very high	25 Å²	25	44.4 Å²	44.4	13%	0.134	24%	0.235	C	C	.	.	S	Bend	trans	-80.5	-4.8	167.4	64.7	-12.5	0	0	0	113.3	F59 D60 L128 N145	F59-N85 WeakPolarHBondContact CA-OD1 3.43Å; F59-N85 WeakPolarHBondContact CB-OD1 3.39Å; F59-N85 WeakPolarHBondContact CD1-OD1 3.36Å; D60-N85 PolarHBondContact N-OD1 3.28Å; N85-L128 HydrophobicContact CB-CD1 4.43Å; N85-N145 HydrophobicContact CB-CB 4.42Å; N85-N145 PolarHBondContact O-OD1 2.97Å
86	A	97.3	Very high	93.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-71.7	129	172	0	0	0	0	0	111.3	F54 F59 T84 M91 T127	F54-A86 HydrophobicContact CE1-CB 4.07Å; F59-A86 HydrophobicContact CB-CB 4.01Å; F59-A86 HydrophobicContact CD1-CB 3.65Å; F59-A86 HydrophobicContact CD2-CB 3.81Å; F59-A86 HydrophobicContact CE1-CB 4.01Å; F59-A86 HydrophobicContact CE2-CB 4.16Å; F59-A86 HydrophobicContact CG-CB 3.55Å; F59-A86 HydrophobicContact CZ-CB 4.26Å; T84-A86 VanDerWaalsContact C-N 3.28Å; T84-A86 HydrophobicContact CG2-CB 3.9Å; T84-A86 WeakPolarHBondContact CG2-O 3.47Å; T84-A86 PolarHBondContact OG1-N 2.67Å; T84-A86 VanDerWaalsContact OG1-N 3.08Å; A86-M91 HydrophobicContact CB-CG 3.71Å; A86-T127 WeakPolarHBondContact O-CB 3.48Å; A86-T127 VanDerWaalsContact O-CG2 3.25Å; A86-T127 WeakPolarHBondContact O-CG2 3.4Å; A86-T127 PolarHBondContact O-OG1 3.05Å
87	T	95.4	Very high	94.1	Very high	37 Å²	37	47.6 Å²	47.6	23%	0.227	25%	0.249	C	C	.	.			trans	-71.9	159.7	172.4	63.1	0	0	0	0	111.8	Q90 M91 F143	T87-Q90 WeakPolarHBondContact O-CB 3.37Å; T87-Q90 PolarHBondContact O-N 3.26Å; T87-Q90 VanDerWaalsContact OG1-CD 3.25Å; T87-Q90 VanDerWaalsContact OG1-CG 3.31Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.29Å; T87-Q90 PolarHBondContact OG1-OE1 3.05Å; T87-M91 PolarHBondContact O-N 3.34Å; T87-F143 HydrophobicContact CG2-CB 4.35Å; T87-F143 HydrophobicContact CG2-CD2 4.19Å
88	P	94.3	Very high	94.3	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.052	26%	0.261	C	S	.	.	H	α-helix	trans	-55.6	-45.3	178.5	-22.9	33.7	0	0	0	113.3	Q90 M91 H92 V113 T127 F143	P88-Q90 VanDerWaalsContact C-N 3.3Å; P88-Q90 PolarHBondContact O-N 3.36Å; P88-M91 HydrophobicContact CB-CE 4.49Å; P88-M91 HydrophobicContact CG-CE 4.45Å; P88-M91 PolarHBondContact O-N 3.17Å; P88-M91 VanDerWaalsContact O-N 3.14Å; P88-H92 PolarHBondContact O-CD2 3.48Å; P88-H92 PolarHBondContact O-N 3.14Å; P88-V113 HydrophobicContact CB-CG2 4.12Å; P88-T127 VanDerWaalsContact CD-OG1 3.31Å; P88-T127 WeakPolarHBondContact CD-OG1 3.36Å; P88-F143 VanDerWaalsContact CD-CE2 3.49Å; P88-F143 HydrophobicContact CG-CE1 4.36Å; P88-F143 HydrophobicContact CG-CE2 4.01Å; P88-F143 HydrophobicContact CG-CZ 3.67Å
89	P	93.7	Very high	95.1	Very high	89 Å²	89	45.5 Å²	45.5	58%	0.578	26%	0.258	S	S	*	.	H	α-helix	trans	-57.9	-39.7	174.9	-26	36.2	0	0	0	113.6	H92 E93	P89-H92 PolarHBondContact O-N 3.26Å; P89-E93 PolarHBondContact O-N 3.17Å
90	Q	96.4	Very high	95.7	Very high	73 Å²	73	40.3 Å²	40.3	34%	0.341	23%	0.23	S	C	.	.	H	α-helix	trans	-67.1	-40.6	176.3	-71.2	166.9	-43.8	0	0	111.6	F59 T87 P88 E93 M94	F59-Q90 HydrophobicContact CE2-CB 4.21Å; F59-Q90 HydrophobicContact CZ-CB 3.88Å; F59-Q90 HydrophobicContact CZ-CG 4.04Å; T87-Q90 WeakPolarHBondContact O-CB 3.37Å; T87-Q90 PolarHBondContact O-N 3.26Å; T87-Q90 VanDerWaalsContact OG1-CD 3.25Å; T87-Q90 VanDerWaalsContact OG1-CG 3.31Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.29Å; T87-Q90 PolarHBondContact OG1-OE1 3.05Å; P88-Q90 VanDerWaalsContact C-N 3.3Å; P88-Q90 PolarHBondContact O-N 3.36Å; Q90-E93 PolarHBondContact O-N 2.96Å; Q90-M94 VanDerWaalsContact O-CB 3.25Å; Q90-M94 WeakPolarHBondContact O-CB 3.31Å; Q90-M94 PolarHBondContact O-N 3.47Å
91	M	96.5	Very high	95.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-43.9	173.8	-71	-169.2	-75.2	0	0	111.7	F54 T84 A86 T87 P88 E93 M94 F95 V113 V125 T127	F54-M91 HydrophobicContact CE1-CG 4.38Å; F54-M91 HydrophobicContact CE1-SD 4.37Å; F54-M91 HydrophobicContact CZ-CG 4.25Å; F54-M91 HydrophobicContact CZ-SD 4.04Å; T84-M91 HydrophobicContact CG2-CE 4.38Å; T84-M91 HydrophobicContact CG2-SD 3.8Å; A86-M91 HydrophobicContact CB-CG 3.71Å; T87-M91 PolarHBondContact O-N 3.34Å; P88-M91 HydrophobicContact CB-CE 4.49Å; P88-M91 HydrophobicContact CG-CE 4.45Å; P88-M91 PolarHBondContact O-N 3.17Å; P88-M91 VanDerWaalsContact O-N 3.14Å; M91-E93 VanDerWaalsContact C-N 3.35Å; M91-E93 PolarHBondContact O-N 3.13Å; M91-M94 HydrophobicContact CB-CE 4.22Å; M91-M94 HydrophobicContact CG-CE 3.87Å; M91-M94 PolarHBondContact O-N 3.25Å; M91-F95 HydrophobicContact CB-CD2 4.13Å; M91-F95 HydrophobicContact CB-CE2 4.07Å; M91-F95 HydrophobicContact CG-CE2 4.49Å; M91-F95 WeakPolarHBondContact O-CB 3.37Å; M91-F95 WeakPolarHBondContact O-CD2 3.34Å; M91-F95 WeakPolarHBondContact O-CG 3.45Å; M91-F95 PolarHBondContact O-N 3.49Å; M91-V113 HydrophobicContact CB-CB 4.45Å; M91-V113 HydrophobicContact CB-CG1 4.48Å; M91-V113 HydrophobicContact CB-CG2 4.24Å; M91-V113 HydrophobicContact CE-CB 3.98Å; M91-V113 HydrophobicContact CE-CG2 3.73Å; M91-V113 HydrophobicContact SD-CB 4.24Å; M91-V113 HydrophobicContact SD-CG2 4.49Å; M91-V125 HydrophobicContact SD-CB 3.95Å; M91-V125 HydrophobicContact SD-CG1 3.76Å; M91-T127 VanDerWaalsContact CE-OG1 3.32Å; M91-T127 WeakPolarHBondContact CE-OG1 3.49Å
92	H	94.3	Very high	95.9	Very high	41 Å²	41	44.6 Å²	44.6	19%	0.19	24%	0.242	C	C	.	.	H	α-helix	trans	-57.6	-47.9	174.5	-81.7	-74.9	0	0	0	112.1	P88 P89 S96 L102 E108	P88-H92 PolarHBondContact O-CD2 3.48Å; P88-H92 PolarHBondContact O-N 3.14Å; P89-H92 PolarHBondContact O-N 3.26Å; H92-S96 WeakPolarHBondContact O-CB 3.46Å; H92-S96 PolarHBondContact O-N 2.94Å; H92-S96 PolarHBondContact O-OG 3.16Å; H92-L102 HydrophobicContact CB-CD1 4.49Å; H92-L102 WeakPolarHBondContact ND1-CD1 3.41Å; H92-E108 IonicContact CE1-OE1 2.9Å; H92-E108 PolarHBondContact CE1-OE1 2.92Å; H92-E108 IonicContact NE2-OE1 3.27Å; H92-E108 PolarHBondContact NE2-OE1 2.77Å; H92-E108 VanDerWaalsContact NE2-OE1 3.08Å; H92-E108 IonicContact NE2-OE2 2.75Å
93	E	95.8	Very high	95.6	Very high	108 Å²	108	46.3 Å²	46.3	51%	0.505	25%	0.251	S	S	.	.	H	α-helix	trans	-61.6	-49.9	179.2	-172.7	-174.8	167.1	0	0	111.3	P89 Q90 M91 S96 K97	P89-E93 PolarHBondContact O-N 3.17Å; Q90-E93 PolarHBondContact O-N 2.96Å; M91-E93 VanDerWaalsContact C-N 3.35Å; M91-E93 PolarHBondContact O-N 3.13Å; E93-S96 PolarHBondContact O-N 3.12Å; E93-K97 HydrophobicContact CG-CD 4.18Å; E93-K97 WeakPolarHBondContact O-CB 3.46Å; E93-K97 WeakPolarHBondContact O-CG 3.2Å; E93-K97 PolarHBondContact O-N 3.13Å; E93-K97 WeakPolarHBondContact OE1-CE 3.49Å; E93-K97 IonicContact OE1-NZ 2.67Å; E93-K97 PolarHBondContact OE1-NZ 2.9Å
94	M	97.2	Very high	94.4	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-56.1	-55.7	177.9	161.1	171.6	59.4	0	0	111.7	I53 F54 Y57 F59 Q90 M91 S96 K97 E98	I53-M94 HydrophobicContact CG2-CG 3.45Å; I53-M94 VanDerWaalsContact CG2-CG 3.45Å; I53-M94 HydrophobicContact CG2-SD 3.56Å; I53-M94 VanDerWaalsContact CG2-SD 3.56Å; F54-M94 HydrophobicContact CD1-CE 4.04Å; F54-M94 HydrophobicContact CD2-CE 4.31Å; F54-M94 HydrophobicContact CD2-SD 4.46Å; F54-M94 HydrophobicContact CE1-CE 3.6Å; F54-M94 HydrophobicContact CE2-CE 3.94Å; F54-M94 HydrophobicContact CG-CE 4.36Å; F54-M94 HydrophobicContact CG-SD 4.41Å; F54-M94 HydrophobicContact CZ-CE 3.53Å; Y57-M94 HydrophobicContact CD1-CB 4.2Å; Y57-M94 HydrophobicContact CD1-CG 4.41Å; Y57-M94 HydrophobicContact CD2-CB 4.23Å; Y57-M94 HydrophobicContact CD2-CG 3.56Å; Y57-M94 HydrophobicContact CD2-SD 3.83Å; Y57-M94 HydrophobicContact CE1-CB 4.35Å; Y57-M94 HydrophobicContact CE2-CB 4.39Å; Y57-M94 HydrophobicContact CE2-CG 3.83Å; Y57-M94 HydrophobicContact CG-CB 4.14Å; Y57-M94 HydrophobicContact CG-CG 3.89Å; Y57-M94 HydrophobicContact CG-SD 3.97Å; F59-M94 HydrophobicContact CD2-SD 4.42Å; Q90-M94 VanDerWaalsContact O-CB 3.25Å; Q90-M94 WeakPolarHBondContact O-CB 3.31Å; Q90-M94 PolarHBondContact O-N 3.47Å; M91-M94 HydrophobicContact CB-CE 4.22Å; M91-M94 HydrophobicContact CG-CE 3.87Å; M91-M94 PolarHBondContact O-N 3.25Å; M94-S96 VanDerWaalsContact C-N 3.34Å; M94-S96 PolarHBondContact O-N 3.16Å; M94-K97 PolarHBondContact O-N 3.21Å; M94-E98 WeakPolarHBondContact O-CG 3.38Å; M94-E98 PolarHBondContact O-N 3.27Å; M94-E98 VanDerWaalsContact O-N 3.13Å
95	F	96.7	Very high	93	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.7	-36.5	-177.5	-70.7	-56.9	0	0	0	112.2	I53 F54 M91 E98 G99 I100 L102 V113 A115	I53-F95 HydrophobicContact CG2-CE1 4.49Å; F54-F95 HydrophobicContact CE2-CE1 4.21Å; F54-F95 HydrophobicContact CE2-CE2 4.39Å; F54-F95 AromaticContact CE2-CZ 3.6Å; F54-F95 HydrophobicContact CE2-CZ 3.6Å; F54-F95 HydrophobicContact CZ-CE2 4.34Å; F54-F95 AromaticContact CZ-CZ 3.99Å; F54-F95 HydrophobicContact CZ-CZ 3.99Å; M91-F95 HydrophobicContact CB-CD2 4.13Å; M91-F95 HydrophobicContact CB-CE2 4.07Å; M91-F95 HydrophobicContact CG-CE2 4.49Å; M91-F95 WeakPolarHBondContact O-CB 3.37Å; M91-F95 WeakPolarHBondContact O-CD2 3.34Å; M91-F95 WeakPolarHBondContact O-CG 3.45Å; M91-F95 PolarHBondContact O-N 3.49Å; F95-E98 CarbonylContact O-C 3.36Å; F95-E98 PolarHBondContact O-N 3.16Å; F95-G99 PolarHBondContact O-N 2.74Å; F95-G99 VanDerWaalsContact O-N 3.17Å; F95-I100 HydrophobicContact CB-CB 4.19Å; F95-I100 HydrophobicContact CB-CG2 4.29Å; F95-I100 HydrophobicContact CD1-CB 4.15Å; F95-I100 HydrophobicContact CD1-CD1 3.98Å; F95-I100 HydrophobicContact CD1-CG2 3.91Å; F95-I100 HydrophobicContact CE1-CD1 4.49Å; F95-I100 HydrophobicContact CG-CG2 4.35Å; F95-I100 PolarHBondContact O-N 3.09Å; F95-L102 HydrophobicContact CB-CD1 4.23Å; F95-L102 HydrophobicContact CB-CD2 3.74Å; F95-L102 HydrophobicContact CB-CG 4.17Å; F95-L102 HydrophobicContact CD2-CD2 3.58Å; F95-L102 HydrophobicContact CE2-CD2 4.3Å; F95-L102 HydrophobicContact CG-CD2 3.79Å; F95-V113 HydrophobicContact CD2-CG1 4.22Å; F95-V113 HydrophobicContact CE2-CG1 4.17Å; F95-A115 HydrophobicContact CD1-CB 4.12Å; F95-A115 HydrophobicContact CD2-CB 4.36Å; F95-A115 HydrophobicContact CE1-CB 3.71Å; F95-A115 HydrophobicContact CE2-CB 3.96Å; F95-A115 HydrophobicContact CG-CB 4.42Å; F95-A115 HydrophobicContact CZ-CB 3.59Å
96	S	94.5	Very high	91.7	Very high	80 Å²	80	66.7 Å²	66.7	56%	0.559	35%	0.345	S	S	*	.	H	α-helix	trans	-64.9	-39.8	176.1	-58.2	0	0	0	0	111.8	H92 E93 M94 E98 G99	H92-S96 WeakPolarHBondContact O-CB 3.46Å; H92-S96 PolarHBondContact O-N 2.94Å; H92-S96 PolarHBondContact O-OG 3.16Å; E93-S96 PolarHBondContact O-N 3.12Å; M94-S96 VanDerWaalsContact C-N 3.34Å; M94-S96 PolarHBondContact O-N 3.16Å; S96-E98 VanDerWaalsContact C-N 3.32Å; S96-E98 PolarHBondContact O-N 2.87Å; S96-G99 PolarHBondContact O-N 2.94Å; S96-G99 VanDerWaalsContact O-N 3.11Å
97	K	96.8	Very high	90.3	Very high	125 Å²	125	67.8 Å²	67.8	54%	0.543	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-33.4	176.2	-79.6	175.9	171.4	172.6	0	112.9	Y57 E93 M94 G99	Y57-K97 HydrophobicContact CE1-CD 4.11Å; Y57-K97 WeakPolarHBondContact OH-CB 3.3Å; E93-K97 HydrophobicContact CG-CD 4.18Å; E93-K97 WeakPolarHBondContact O-CB 3.46Å; E93-K97 WeakPolarHBondContact O-CG 3.2Å; E93-K97 PolarHBondContact O-N 3.13Å; E93-K97 WeakPolarHBondContact OE1-CE 3.49Å; E93-K97 IonicContact OE1-NZ 2.67Å; E93-K97 PolarHBondContact OE1-NZ 2.9Å; M94-K97 PolarHBondContact O-N 3.21Å; K97-G99 VanDerWaalsContact C-N 3.27Å
98	E	96.4	Very high	89.1	Confident	63 Å²	63	69.1 Å²	69.1	29%	0.294	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	2.6	173.8	-57.8	-55.7	125.9	0	0	113.4	I53 K56 Y57 M94 F95 S96 I100	I53-E98 HydrophobicContact CD1-CB 4.18Å; I53-E98 HydrophobicContact CD1-CG 4.07Å; I53-E98 HydrophobicContact CG1-CG 4.09Å; I53-E98 HydrophobicContact CG2-CG 4.07Å; K56-E98 WeakPolarHBondContact CE-OE1 3.35Å; K56-E98 IonicContact NZ-OE1 3.82Å; K56-E98 PolarHBondContact NZ-OE1 3.21Å; K56-E98 IonicContact NZ-OE2 3.64Å; K56-E98 PolarHBondContact NZ-OE2 3.22Å; Y57-E98 HydrophobicContact CE2-CG 3.89Å; Y57-E98 WeakPolarHBondContact CE2-OE1 3.21Å; Y57-E98 PolarHBondContact OH-OE1 2.75Å; M94-E98 WeakPolarHBondContact O-CG 3.38Å; M94-E98 PolarHBondContact O-N 3.27Å; M94-E98 VanDerWaalsContact O-N 3.13Å; F95-E98 CarbonylContact O-C 3.36Å; F95-E98 PolarHBondContact O-N 3.16Å; S96-E98 VanDerWaalsContact C-N 3.32Å; S96-E98 PolarHBondContact O-N 2.87Å; E98-I100 VanDerWaalsContact C-N 3.27Å; E98-I100 HydrophobicContact CB-CD1 4.15Å; E98-I100 HydrophobicContact CB-CG1 4.39Å; E98-I100 PolarHBondContact O-N 2.67Å
99	G	95.1	Very high	88.1	Confident	71 Å²	71	72.6 Å²	72.6	73%	0.732	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	21.3	-179.3	0	0	0	0	0	114.3	F95 S96 K97	F95-G99 PolarHBondContact O-N 2.74Å; F95-G99 VanDerWaalsContact O-N 3.17Å; S96-G99 PolarHBondContact O-N 2.94Å; S96-G99 VanDerWaalsContact O-N 3.11Å; K97-G99 VanDerWaalsContact C-N 3.27Å
100	I	95.7	Very high	87.4	Confident	27 Å²	27	71.9 Å²	71.9	14%	0.138	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-86	134.5	-178.9	-75.1	167.5	0	0	0	111.1	I53 F95 E98 A115 I117	I53-I100 HydrophobicContact CD1-CD1 3.12Å; F95-I100 HydrophobicContact CB-CB 4.19Å; F95-I100 HydrophobicContact CB-CG2 4.29Å; F95-I100 HydrophobicContact CD1-CB 4.15Å; F95-I100 HydrophobicContact CD1-CD1 3.98Å; F95-I100 HydrophobicContact CD1-CG2 3.91Å; F95-I100 HydrophobicContact CE1-CD1 4.49Å; F95-I100 HydrophobicContact CG-CG2 4.35Å; F95-I100 PolarHBondContact O-N 3.09Å; E98-I100 VanDerWaalsContact C-N 3.27Å; E98-I100 HydrophobicContact CB-CD1 4.15Å; E98-I100 HydrophobicContact CB-CG1 4.39Å; E98-I100 PolarHBondContact O-N 2.67Å; I100-A115 HydrophobicContact CG2-CB 4.02Å; I100-I117 HydrophobicContact CD1-CD1 3.51Å; I100-I117 HydrophobicContact CG1-CD1 4.09Å; I100-I117 HydrophobicContact CG2-CD1 3.86Å
101	R	93.9	Very high	87	Confident	148 Å²	148	68.4 Å²	68.4	56%	0.558	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	130.6	176.5	-177.4	178.2	176.5	-176.5	0.4	110.9	L103 R116 D119	R101-L103 HydrophobicContact CG-CD2 4.37Å; R101-R116 PolarHBondContact O-N 3.31Å; R101-D119 IonicContact NH1-OD1 3.93Å
102	L	93	Very high	86.8	Confident	37 Å²	37	69.6 Å²	69.6	19%	0.194	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140	172.1	-60.2	179.7	0	0	0	111.2	H92 F95 V113 T114 A115	H92-L102 HydrophobicContact CB-CD1 4.49Å; H92-L102 WeakPolarHBondContact ND1-CD1 3.41Å; F95-L102 HydrophobicContact CB-CD1 4.23Å; F95-L102 HydrophobicContact CB-CD2 3.74Å; F95-L102 HydrophobicContact CB-CG 4.17Å; F95-L102 HydrophobicContact CD2-CD2 3.58Å; F95-L102 HydrophobicContact CE2-CD2 4.3Å; F95-L102 HydrophobicContact CG-CD2 3.79Å; L102-V113 HydrophobicContact CD1-CG1 4.17Å; L102-V113 HydrophobicContact CD2-CG1 3.7Å; L102-V113 HydrophobicContact CG-CG1 4.45Å; L102-T114 WeakPolarHBondContact CA-O 3.39Å; L102-A115 HydrophobicContact CD2-CB 3.97Å
103	L	90.8	Very high	86.9	Confident	36 Å²	36	67.8 Å²	67.8	19%	0.188	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	160.3	177.3	-56.3	-178.3	0	0	0	110.8	R101 T114 R116 N122	R101-L103 HydrophobicContact CG-CD2 4.37Å; L103-T114 HydrophobicContact CB-CG2 4.19Å; L103-T114 HydrophobicContact CD1-CG2 4.46Å; L103-T114 PolarHBondContact N-O 2.95Å; L103-R116 HydrophobicContact CD1-CB 4.1Å; L103-R116 HydrophobicContact CG-CB 4.17Å; L103-N122 VanDerWaalsContact CD1-OD1 3.26Å; L103-N122 WeakPolarHBondContact CD1-OD1 3.18Å
104	N	72.8	Confident	86.8	Confident	120 Å²	120	63.1 Å²	63.1	64%	0.642	34%	0.336	S	S	*	.			trans	49	67.6	165.1	-65.2	-15.8	0	0	0	115.9	N106 G107	N104-N106 PolarHBondContact O-N 2.7Å; N104-G107 PolarHBondContact O-N 3.12Å
105	R	68.9	Low	86.7	Confident	185 Å²	185	63 Å²	63	70%	0.698	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-58.9	-8.9	176.2	-60.4	-163.7	-178.5	172.8	-2.5	115.6	G107 E108	R105-G107 VanDerWaalsContact C-N 3.27Å; R105-G107 PolarHBondContact O-N 3.14Å; R105-E108 VanDerWaalsContact CA-OE1 3.25Å; R105-E108 WeakPolarHBondContact CA-OE1 3.35Å; R105-E108 WeakPolarHBondContact CB-OE1 3.34Å; R105-E108 WeakPolarHBondContact CG-OE1 3.26Å; R105-E108 WeakPolarHBondContact O-CB 3.48Å; R105-E108 WeakPolarHBondContact O-CG 3.42Å; R105-E108 PolarHBondContact O-N 3.11Å
106	N	70.4	Confident	86.6	Confident	150 Å²	150	65.9 Å²	65.9	80%	0.802	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-72	-19.3	179.4	-62.1	-9.2	0	0	0	113.2	N104 E108	N104-N106 PolarHBondContact O-N 2.7Å; N106-E108 VanDerWaalsContact C-N 3.32Å
107	G	67.1	Low	86.7	Confident	24 Å²	24	62.1 Å²	62.1	25%	0.247	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-79.2	-13.7	178.4	0	0	0	0	0	114.2	N104 R105 S109 H110 G111 T112	N104-G107 PolarHBondContact O-N 3.12Å; R105-G107 VanDerWaalsContact C-N 3.27Å; R105-G107 PolarHBondContact O-N 3.14Å; G107-S109 VanDerWaalsContact C-N 3.27Å; G107-S109 PolarHBondContact O-N 3.14Å; G107-H110 PolarHBondContact O-N 3.31Å; G107-G111 PolarHBondContact O-N 3.2Å; G107-T112 CarbonylContact C-O 3.58Å; G107-T112 VanDerWaalsContact C-O 3.27Å; G107-T112 PolarHBondContact O-N 2.69Å
108	E	71.3	Confident	86.5	Confident	64 Å²	64	60.5 Å²	60.5	30%	0.299	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-63	-33	-171.8	-67.3	170.7	-159.7	0	0	112.4	H92 R105 N106 H110 G111 T112	H92-E108 IonicContact CE1-OE1 2.9Å; H92-E108 PolarHBondContact CE1-OE1 2.92Å; H92-E108 IonicContact NE2-OE1 3.27Å; H92-E108 PolarHBondContact NE2-OE1 2.77Å; H92-E108 VanDerWaalsContact NE2-OE1 3.08Å; H92-E108 IonicContact NE2-OE2 2.75Å; R105-E108 VanDerWaalsContact CA-OE1 3.25Å; R105-E108 WeakPolarHBondContact CA-OE1 3.35Å; R105-E108 WeakPolarHBondContact CB-OE1 3.34Å; R105-E108 WeakPolarHBondContact CG-OE1 3.26Å; R105-E108 WeakPolarHBondContact O-CB 3.48Å; R105-E108 WeakPolarHBondContact O-CG 3.42Å; R105-E108 PolarHBondContact O-N 3.11Å; N106-E108 VanDerWaalsContact C-N 3.32Å; E108-H110 PolarHBondContact O-N 3.46Å; E108-H110 VanDerWaalsContact O-N 3.15Å; E108-G111 PolarHBondContact O-N 3.4Å; E108-T112 PolarHBondContact N-O 2.62Å
109	S	73.5	Confident	86.2	Confident	81 Å²	81	62.5 Å²	62.5	57%	0.566	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-62.6	-20.7	175.8	58.4	0	0	0	0	113.3	G107	G107-S109 VanDerWaalsContact C-N 3.27Å; G107-S109 PolarHBondContact O-N 3.14Å
110	H	77.8	Confident	86	Confident	74 Å²	74	65.4 Å²	65.4	34%	0.343	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-104.5	4.3	175.9	-58.9	-63.2	0	0	0	112.6	G107 E108 R129	G107-H110 PolarHBondContact O-N 3.31Å; E108-H110 PolarHBondContact O-N 3.46Å; E108-H110 VanDerWaalsContact O-N 3.15Å; H110-R129 PolarHBondContact O-NH1 2.96Å
111	G	88.9	Confident	85.8	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	14.9	179.1	0	0	0	0	0	115.2	G107 E108 T126 T127	G107-G111 PolarHBondContact O-N 3.2Å; E108-G111 PolarHBondContact O-N 3.4Å; G111-T126 WeakPolarHBondContact O-CA 3.44Å; G111-T127 PolarHBondContact O-N 2.84Å; G111-T127 PolarHBondContact O-OG1 2.92Å
112	T	92.8	Very high	85.8	Confident	25 Å²	25	63.8 Å²	63.8	15%	0.153	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.3	-179.2	-56.6	0	0	0	0	110.9	G107 E108 E124 V125 T126	G107-T112 CarbonylContact C-O 3.58Å; G107-T112 VanDerWaalsContact C-O 3.27Å; G107-T112 PolarHBondContact O-N 2.69Å; E108-T112 PolarHBondContact N-O 2.62Å; T112-E124 HydrophobicContact CG2-CB 4.35Å; T112-V125 WeakPolarHBondContact CA-O 3.35Å; T112-T126 PolarHBondContact OG1-OG1 3.01Å
113	V	94.7	Very high	85.9	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.024	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.1	173.8	172.8	0	0	0	0	108.5	P88 M91 F95 L102 V125	P88-V113 HydrophobicContact CB-CG2 4.12Å; M91-V113 HydrophobicContact CB-CB 4.45Å; M91-V113 HydrophobicContact CB-CG1 4.48Å; M91-V113 HydrophobicContact CB-CG2 4.24Å; M91-V113 HydrophobicContact CE-CB 3.98Å; M91-V113 HydrophobicContact CE-CG2 3.73Å; M91-V113 HydrophobicContact SD-CB 4.24Å; M91-V113 HydrophobicContact SD-CG2 4.49Å; F95-V113 HydrophobicContact CD2-CG1 4.22Å; F95-V113 HydrophobicContact CE2-CG1 4.17Å; L102-V113 HydrophobicContact CD1-CG1 4.17Å; L102-V113 HydrophobicContact CD2-CG1 3.7Å; L102-V113 HydrophobicContact CG-CG1 4.45Å; V113-V125 PolarHBondContact N-O 3.38Å; V113-V125 PolarHBondContact O-N 3.29Å
114	T	95	Very high	86.1	Confident	9 Å²	9	65 Å²	65	6%	0.055	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	112	176.5	-50.4	0	0	0	0	110	L102 L103 N122 F123 E124	L102-T114 WeakPolarHBondContact CA-O 3.39Å; L103-T114 HydrophobicContact CB-CG2 4.19Å; L103-T114 HydrophobicContact CD1-CG2 4.46Å; L103-T114 PolarHBondContact N-O 2.95Å; T114-N122 HydrophobicContact CG2-CB 4.07Å; T114-F123 CarbonylContact C-O 3.6Å; T114-F123 WeakPolarHBondContact CA-O 3.25Å; T114-E124 HydrophobicContact CG2-CG 4.18Å
115	A	94.9	Very high	87.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.2	175.5	0	0	0	0	0	110.8	F95 I100 L102 I117 N122 F123	F95-A115 HydrophobicContact CD1-CB 4.12Å; F95-A115 HydrophobicContact CD2-CB 4.36Å; F95-A115 HydrophobicContact CE1-CB 3.71Å; F95-A115 HydrophobicContact CE2-CB 3.96Å; F95-A115 HydrophobicContact CG-CB 4.42Å; F95-A115 HydrophobicContact CZ-CB 3.59Å; I100-A115 HydrophobicContact CG2-CB 4.02Å; L102-A115 HydrophobicContact CD2-CB 3.97Å; A115-I117 HydrophobicContact CB-CD1 4.38Å; A115-N122 CarbonylContact O-C 3.6Å; A115-N122 WeakPolarHBondContact O-CA 3.16Å; A115-F123 PolarHBondContact N-O 2.9Å; A115-F123 PolarHBondContact O-N 2.64Å
116	R	95.4	Very high	88.5	Confident	61 Å²	61	51.5 Å²	51.5	23%	0.23	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.4	172.8	-173.1	169.4	-176.5	77	0.6	109.9	R101 L103 D119 K120 E121 N122	R101-R116 PolarHBondContact O-N 3.31Å; L103-R116 HydrophobicContact CD1-CB 4.1Å; L103-R116 HydrophobicContact CG-CB 4.17Å; R116-D119 VanDerWaalsContact CZ-O 3.25Å; R116-D119 VanDerWaalsContact NE-C 3.27Å; R116-D119 PolarHBondContact NE-O 2.95Å; R116-D119 VanDerWaalsContact NE-O 3.15Å; R116-D119 VanDerWaalsContact NH2-C 3.34Å; R116-D119 PolarHBondContact NH2-O 2.88Å; R116-K120 PolarHBondContact NH1-O 3.13Å; R116-K120 VanDerWaalsContact NH1-O 3.15Å; R116-K120 PolarHBondContact NH2-O 3.27Å; R116-E121 CarbonylContact C-O 3.54Å; R116-E121 WeakPolarHBondContact CA-O 3.43Å; R116-N122 WeakPolarHBondContact CD-OD1 3.49Å; R116-N122 WeakPolarHBondContact CG-OD1 3.15Å; R116-N122 PolarHBondContact NH1-OD1 3.4Å
117	I	94.9	Very high	89.7	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.5	-176.2	-51.1	-60.9	0	0	0	109.6	E46 I49 V50 I100 A115 D119 K120 E121 F123	E46-I117 HydrophobicContact CB-CB 4.05Å; E46-I117 HydrophobicContact CB-CG2 3.92Å; E46-I117 HydrophobicContact CG-CB 4.19Å; E46-I117 HydrophobicContact CG-CG2 4Å; I49-I117 HydrophobicContact CB-CG2 4.05Å; I49-I117 HydrophobicContact CD1-CG2 3.97Å; I49-I117 HydrophobicContact CG2-CG2 3.88Å; V50-I117 HydrophobicContact CG2-CD1 3.81Å; V50-I117 HydrophobicContact CG2-CG1 3.52Å; I100-I117 HydrophobicContact CD1-CD1 3.51Å; I100-I117 HydrophobicContact CG1-CD1 4.09Å; I100-I117 HydrophobicContact CG2-CD1 3.86Å; A115-I117 HydrophobicContact CB-CD1 4.38Å; I117-D119 PolarHBondContact O-N 3.43Å; I117-K120 PolarHBondContact O-N 2.93Å; I117-E121 PolarHBondContact N-O 2.96Å; I117-E121 PolarHBondContact O-N 3.15Å; I117-F123 HydrophobicContact CB-CD2 4.32Å; I117-F123 HydrophobicContact CB-CE2 4.07Å; I117-F123 HydrophobicContact CG1-CD2 3.6Å; I117-F123 HydrophobicContact CG1-CE2 3.78Å
118	N	92.9	Very high	91.2	Very high	91 Å²	91	43.2 Å²	43.2	49%	0.487	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	27.3	-178.9	-65.4	-13.4	0	0	0	114	E46 K120	E46-N118 HydrophobicContact CG-CB 4.31Å; N118-K120 PolarHBondContact O-N 3.43Å
119	D	89.6	Confident	92.3	Very high	105 Å²	105	42.2 Å²	42.2	56%	0.561	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	25.9	-171.2	-81.6	-47.1	0	0	0	114.4	R101 R116 I117	R101-D119 IonicContact NH1-OD1 3.93Å; R116-D119 VanDerWaalsContact CZ-O 3.25Å; R116-D119 VanDerWaalsContact NE-C 3.27Å; R116-D119 PolarHBondContact NE-O 2.95Å; R116-D119 VanDerWaalsContact NE-O 3.15Å; R116-D119 VanDerWaalsContact NH2-C 3.34Å; R116-D119 PolarHBondContact NH2-O 2.88Å; I117-D119 PolarHBondContact O-N 3.43Å
120	K	91.3	Very high	93.1	Very high	131 Å²	131	40.8 Å²	40.8	57%	0.57	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-56	-173.3	-179.7	174.8	151.5	-145	0	111.9	E46 R116 I117 N118	E46-K120 VanDerWaalsContact CD-NZ 3.29Å; E46-K120 VanDerWaalsContact OE1-CD 3.3Å; E46-K120 WeakPolarHBondContact OE1-CD 3.17Å; E46-K120 IonicContact OE1-NZ 3.1Å; E46-K120 PolarHBondContact OE1-NZ 2.86Å; E46-K120 IonicContact OE2-NZ 3.99Å; E46-K120 PolarHBondContact OE2-NZ 2.77Å; E46-K120 VanDerWaalsContact OE2-NZ 3.14Å; R116-K120 PolarHBondContact NH1-O 3.13Å; R116-K120 VanDerWaalsContact NH1-O 3.15Å; R116-K120 PolarHBondContact NH2-O 3.27Å; I117-K120 PolarHBondContact O-N 2.93Å; N118-K120 PolarHBondContact O-N 3.43Å
121	E	93	Very high	93.3	Very high	62 Å²	62	39.3 Å²	39.3	29%	0.29	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.2	-170.6	-169.4	167.6	-165.9	0	0	111.9	E46 R116 I117 F123	E46-E121 HydrophobicContact CB-CB 4.28Å; E46-E121 HydrophobicContact CG-CB 4.18Å; R116-E121 CarbonylContact C-O 3.54Å; R116-E121 WeakPolarHBondContact CA-O 3.43Å; I117-E121 PolarHBondContact N-O 2.96Å; I117-E121 PolarHBondContact O-N 3.15Å; E121-F123 HydrophobicContact CB-CE2 3.83Å; E121-F123 HydrophobicContact CB-CZ 4.32Å; E121-F123 HydrophobicContact CG-CD2 4.48Å; E121-F123 HydrophobicContact CG-CE2 3.7Å; E121-F123 HydrophobicContact CG-CZ 3.85Å
122	N	93.9	Very high	92.7	Very high	80 Å²	80	43.4 Å²	43.4	43%	0.428	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136	-179	-65.2	-21.1	0	0	0	109.9	L103 T114 A115 R116	L103-N122 VanDerWaalsContact CD1-OD1 3.26Å; L103-N122 WeakPolarHBondContact CD1-OD1 3.18Å; T114-N122 HydrophobicContact CG2-CB 4.07Å; A115-N122 CarbonylContact O-C 3.6Å; A115-N122 WeakPolarHBondContact O-CA 3.16Å; R116-N122 WeakPolarHBondContact CD-OD1 3.49Å; R116-N122 WeakPolarHBondContact CG-OD1 3.15Å; R116-N122 PolarHBondContact NH1-OD1 3.4Å
123	F	94.2	Very high	91.4	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.022	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.2	179.3	-66.2	-95	0	0	0	109.4	E46 N47 V50 F82 T114 A115 I117 E121	E46-F123 HydrophobicContact CB-CE2 3.7Å; E46-F123 HydrophobicContact CB-CZ 3.72Å; N47-F123 HydrophobicContact CB-CE1 3.87Å; N47-F123 HydrophobicContact CB-CZ 4.1Å; V50-F123 HydrophobicContact CG2-CB 4.26Å; V50-F123 HydrophobicContact CG2-CD1 4Å; V50-F123 HydrophobicContact CG2-CD2 3.81Å; V50-F123 HydrophobicContact CG2-CE1 4.35Å; V50-F123 HydrophobicContact CG2-CE2 4.17Å; V50-F123 HydrophobicContact CG2-CG 3.73Å; V50-F123 HydrophobicContact CG2-CZ 4.44Å; F82-F123 HydrophobicContact CD2-CD1 4.28Å; F82-F123 AromaticContact CE2-CD1 3.66Å; F82-F123 HydrophobicContact CE2-CD1 3.66Å; F82-F123 HydrophobicContact CE2-CE1 4.25Å; T114-F123 CarbonylContact C-O 3.6Å; T114-F123 WeakPolarHBondContact CA-O 3.25Å; A115-F123 PolarHBondContact N-O 2.9Å; A115-F123 PolarHBondContact O-N 2.64Å; I117-F123 HydrophobicContact CB-CD2 4.32Å; I117-F123 HydrophobicContact CB-CE2 4.07Å; I117-F123 HydrophobicContact CG1-CD2 3.6Å; I117-F123 HydrophobicContact CG1-CE2 3.78Å; E121-F123 HydrophobicContact CB-CE2 3.83Å; E121-F123 HydrophobicContact CB-CZ 4.32Å; E121-F123 HydrophobicContact CG-CD2 4.48Å; E121-F123 HydrophobicContact CG-CE2 3.7Å; E121-F123 HydrophobicContact CG-CZ 3.85Å
124	E	94.6	Very high	89.7	Confident	92 Å²	92	48.6 Å²	48.6	43%	0.43	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.8	173.1	-65.8	-163.2	172.2	0	0	109.8	F82 T112 T114	F82-E124 PolarHBondContact N-O 3.45Å; T112-E124 HydrophobicContact CG2-CB 4.35Å; T114-E124 HydrophobicContact CG2-CG 4.18Å
125	V	96.4	Very high	87.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.1	178.8	-167.9	0	0	0	0	109.6	F54 L61 F82 T84 M91 T112 V113	F54-V125 HydrophobicContact CE1-CG1 4.12Å; F54-V125 HydrophobicContact CE2-CG1 4.43Å; F54-V125 HydrophobicContact CE2-CG2 4.26Å; F54-V125 HydrophobicContact CZ-CB 4.27Å; F54-V125 HydrophobicContact CZ-CG1 3.65Å; F54-V125 HydrophobicContact CZ-CG2 4.17Å; L61-V125 HydrophobicContact CD1-CG1 3.7Å; L61-V125 HydrophobicContact CD1-CG2 4.46Å; F82-V125 HydrophobicContact CB-CB 4.39Å; F82-V125 HydrophobicContact CB-CG1 4.13Å; F82-V125 HydrophobicContact CB-CG2 4.13Å; T84-V125 HydrophobicContact CG2-CG1 3.51Å; M91-V125 HydrophobicContact SD-CB 3.95Å; M91-V125 HydrophobicContact SD-CG1 3.76Å; T112-V125 WeakPolarHBondContact CA-O 3.35Å; V113-V125 PolarHBondContact N-O 3.38Å; V113-V125 PolarHBondContact O-N 3.29Å
126	T	95.9	Very high	86.1	Confident	22 Å²	22	55.7 Å²	55.7	14%	0.135	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.7	-175.6	-61.2	0	0	0	0	111.3	F82 A83 T84 G111 T112	F82-T126 PolarHBondContact O-N 3.36Å; A83-T126 VanDerWaalsContact CA-O 3.27Å; A83-T126 WeakPolarHBondContact CA-O 3.18Å; T84-T126 PolarHBondContact N-O 3.48Å; G111-T126 WeakPolarHBondContact O-CA 3.44Å; T112-T126 PolarHBondContact OG1-OG1 3.01Å
127	T	96.7	Very high	84.1	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135.3	173.1	-52.3	0	0	0	0	110.7	T84 A86 P88 M91 G111 R129 F143	T84-T127 CarbonylContact O-C 3.27Å; T84-T127 WeakPolarHBondContact O-CA 3.27Å; A86-T127 WeakPolarHBondContact O-CB 3.48Å; A86-T127 VanDerWaalsContact O-CG2 3.25Å; A86-T127 WeakPolarHBondContact O-CG2 3.4Å; A86-T127 PolarHBondContact O-OG1 3.05Å; P88-T127 VanDerWaalsContact CD-OG1 3.31Å; P88-T127 WeakPolarHBondContact CD-OG1 3.36Å; M91-T127 VanDerWaalsContact CE-OG1 3.32Å; M91-T127 WeakPolarHBondContact CE-OG1 3.49Å; G111-T127 PolarHBondContact O-N 2.84Å; G111-T127 PolarHBondContact O-OG1 2.92Å; T127-R129 PolarHBondContact O-N 3.37Å; T127-F143 HydrophobicContact CG2-CB 3.87Å; T127-F143 HydrophobicContact CG2-CD1 3.5Å; T127-F143 VanDerWaalsContact CG2-CD1 3.5Å; T127-F143 HydrophobicContact CG2-CE1 4.21Å; T127-F143 HydrophobicContact CG2-CG 3.72Å
128	L	97.1	Very high	82.3	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.351	C	S	.	.			trans	-54.5	133.5	170.7	-63.8	176.3	0	0	0	110.4	A83 T84 N85 F143 T144 W147 D150 F162	A83-L128 HydrophobicContact CB-CD2 4.02Å; T84-L128 WeakPolarHBondContact O-CG 3.49Å; T84-L128 PolarHBondContact O-N 2.88Å; N85-L128 HydrophobicContact CB-CD1 4.43Å; L128-F143 WeakPolarHBondContact O-CA 3.35Å; L128-T144 HydrophobicContact CB-CG2 4.04Å; L128-T144 WeakPolarHBondContact CB-O 3.37Å; L128-T144 PolarHBondContact O-N 3.5Å; L128-W147 HydrophobicContact CD1-CD2 3.68Å; L128-W147 HydrophobicContact CD1-CE3 4.14Å; L128-W147 HydrophobicContact CD1-CG 3.94Å; L128-W147 HydrophobicContact CD1-CZ2 4.18Å; L128-W147 HydrophobicContact CD2-CD2 4.05Å; L128-W147 HydrophobicContact CD2-CE3 3.62Å; L128-W147 HydrophobicContact CD2-CH2 4.33Å; L128-W147 HydrophobicContact CD2-CZ3 3.78Å; L128-W147 HydrophobicContact CG-CD2 4.46Å; L128-W147 HydrophobicContact CG-CE3 4.45Å; L128-D150 WeakPolarHBondContact CA-OD1 3.43Å; L128-D150 HydrophobicContact CB-CB 4.18Å; L128-D150 HydrophobicContact CD2-CB 3.52Å; L128-D150 HydrophobicContact CG-CB 4.39Å; L128-F162 HydrophobicContact CD2-CE1 4.48Å; L128-F162 HydrophobicContact CD2-CZ 4.47Å
129	R	94	Very high	80.8	Confident	42 Å²	42	65.3 Å²	65.3	16%	0.158	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.5	-172.3	67.3	-171	-171.9	-122.5	-5.9	113.5	H110 T127 V141 V142 F143 D150 R153	H110-R129 PolarHBondContact O-NH1 2.96Å; T127-R129 PolarHBondContact O-N 3.37Å; R129-V141 HydrophobicContact CB-CB 4.29Å; R129-V142 CarbonylContact C-O 3.58Å; R129-V142 VanDerWaalsContact CA-O 3.29Å; R129-V142 WeakPolarHBondContact CA-O 3.33Å; R129-F143 HydrophobicContact CB-CD1 4.19Å; R129-D150 PolarHBondContact N-OD1 3.23Å; R129-R153 VanDerWaalsContact CG-NE 3.3Å; R129-R153 WeakPolarHBondContact O-CD 3.41Å; R129-R153 PolarHBondContact O-NE 2.71Å
130	V	90.3	Very high	80.1	Confident	52 Å²	52	66.5 Å²	66.5	32%	0.315	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.4	168.7	-175.4	0	0	0	0	107.8	V141 V142 T144 L149	V130-V141 WeakPolarHBondContact O-CA 3.45Å; V130-V142 PolarHBondContact N-O 2.9Å; V130-V142 PolarHBondContact O-N 2.9Å; V130-T144 HydrophobicContact CG2-CG2 4.03Å; V130-L149 HydrophobicContact CG2-CB 3.87Å; V130-L149 HydrophobicContact CG2-CD1 4.31Å
131	D	83.7	Confident	79.8	Confident	42 Å²	42	61.4 Å²	61.4	23%	0.225	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.2	176.5	-60	-48.6	0	0	0	109.2	T134 V141	D131-T134 HydrophobicContact CB-CG2 3.92Å; D131-V141 WeakPolarHBondContact OD1-CG1 3.29Å
132	V	76.5	Confident	79.7	Confident	87 Å²	87	62.3 Å²	62.3	53%	0.527	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-45.1	-178.4	-178	0	0	0	0	111.7	E140 V142	V132-E140 PolarHBondContact N-O 3.27Å; V132-V142 HydrophobicContact CG2-CB 4.13Å; V132-V142 HydrophobicContact CG2-CG2 3.4Å
133	V	65.3	Low	79.6	Confident	77 Å²	77	62 Å²	62	47%	0.467	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124	176.9	-177.3	0	0	0	0	107.7	S139 E140	V133-S139 VanDerWaalsContact O-CA 3.31Å; V133-S139 WeakPolarHBondContact O-CA 3.49Å; V133-E140 PolarHBondContact O-N 3.08Å
134	T	58.1	Low	79.6	Confident	60 Å²	60	63 Å²	63	37%	0.368	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	82.2	176.9	56.4	0	0	0	0	109.4	D131	D131-T134 HydrophobicContact CB-CG2 3.92Å
135	D	54.2	Low	79.6	Confident	118 Å²	118	64.2 Å²	64.2	63%	0.631	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	85.3	163.3	170.9	2.7	0	0	0	107.9	R137 H138	D135-R137 VanDerWaalsContact C-N 3.26Å; D135-R137 PolarHBondContact O-N 3.09Å; D135-H138 PolarHBondContact O-N 3.08Å
136	G	59.4	Low	79.6	Confident	41 Å²	41	67.8 Å²	67.8	42%	0.423	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	-63	161.5	0	0	0	0	0	118.6	R271	G136-R271 PolarHBondContact O-NH1 3.15Å
137	R	54.7	Low	79.7	Confident	166 Å²	166	67.5 Å²	67.5	63%	0.626	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-22.1	179.2	-75.6	-172.1	178.7	-166.6	-2.1	114.5	D135 S268	D135-R137 VanDerWaalsContact C-N 3.26Å; D135-R137 PolarHBondContact O-N 3.09Å; R137-S268 PolarHBondContact NH2-OG 2.86Å
138	H	56.1	Low	79.6	Confident	150 Å²	150	71.5 Å²	71.5	69%	0.694	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	97.7	-179.8	-65	-63.9	0	0	0	107.9	D135	D135-H138 PolarHBondContact O-N 3.08Å
139	S	61.2	Low	79.5	Confident	39 Å²	39	74.5 Å²	74.5	27%	0.273	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.7	166.1	57.1	0	0	0	0	109.1	V133	V133-S139 VanDerWaalsContact O-CA 3.31Å; V133-S139 WeakPolarHBondContact O-CA 3.49Å
140	E	76.3	Confident	79.6	Confident	129 Å²	129	72.5 Å²	72.5	60%	0.603	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	123.4	162.2	-167.8	174.7	-171.1	0	0	107.2	V132 V133	V132-E140 PolarHBondContact N-O 3.27Å; V133-E140 PolarHBondContact O-N 3.08Å
141	V	84	Confident	79.9	Confident	24 Å²	24	70 Å²	70	15%	0.145	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.4	-173.7	-57.2	0	0	0	0	110.2	R129 V130 D131 F143	R129-V141 HydrophobicContact CB-CB 4.29Å; V130-V141 WeakPolarHBondContact O-CA 3.45Å; D131-V141 WeakPolarHBondContact OD1-CG1 3.29Å; V141-F143 HydrophobicContact CG2-CE1 4.08Å; V141-F143 HydrophobicContact CG2-CZ 4.45Å
142	V	90.3	Very high	80.4	Confident	81 Å²	81	71.4 Å²	71.4	49%	0.491	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124	171.3	171.7	0	0	0	0	108.1	R129 V130 V132	R129-V142 CarbonylContact C-O 3.58Å; R129-V142 VanDerWaalsContact CA-O 3.29Å; R129-V142 WeakPolarHBondContact CA-O 3.33Å; V130-V142 PolarHBondContact N-O 2.9Å; V130-V142 PolarHBondContact O-N 2.9Å; V132-V142 HydrophobicContact CG2-CB 4.13Å; V132-V142 HydrophobicContact CG2-CG2 3.4Å
143	F	93.1	Very high	81.1	Confident	75 Å²	75	69 Å²	69	33%	0.329	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	143.6	176.6	-57.4	-48.1	0	0	0	111	T87 P88 T127 L128 R129 V141	T87-F143 HydrophobicContact CG2-CB 4.35Å; T87-F143 HydrophobicContact CG2-CD2 4.19Å; P88-F143 VanDerWaalsContact CD-CE2 3.49Å; P88-F143 HydrophobicContact CG-CE1 4.36Å; P88-F143 HydrophobicContact CG-CE2 4.01Å; P88-F143 HydrophobicContact CG-CZ 3.67Å; T127-F143 HydrophobicContact CG2-CB 3.87Å; T127-F143 HydrophobicContact CG2-CD1 3.5Å; T127-F143 VanDerWaalsContact CG2-CD1 3.5Å; T127-F143 HydrophobicContact CG2-CE1 4.21Å; T127-F143 HydrophobicContact CG2-CG 3.72Å; L128-F143 WeakPolarHBondContact O-CA 3.35Å; R129-F143 HydrophobicContact CB-CD1 4.19Å; V141-F143 HydrophobicContact CG2-CE1 4.08Å; V141-F143 HydrophobicContact CG2-CZ 4.45Å
144	T	94.3	Very high	82.4	Confident	26 Å²	26	67.2 Å²	67.2	16%	0.16	34%	0.34	C	S	.	.			trans	-137.1	158.4	-178.3	-174.5	0	0	0	0	110.3	L128 V130 N146 L149	L128-T144 HydrophobicContact CB-CG2 4.04Å; L128-T144 WeakPolarHBondContact CB-O 3.37Å; L128-T144 PolarHBondContact O-N 3.5Å; V130-T144 HydrophobicContact CG2-CG2 4.03Å; T144-N146 PolarHBondContact OG1-N 2.84Å; T144-N146 VanDerWaalsContact OG1-N 3.16Å; T144-L149 HydrophobicContact CG2-CB 4.33Å
145	N	94.9	Very high	84	Confident	116 Å²	116	65 Å²	65	62%	0.62	33%	0.326	S	S	*	.	S	Bend	trans	-99.5	3.6	170.1	-63.9	-20.4	0	0	0	111.8	N85	N85-N145 HydrophobicContact CB-CB 4.42Å; N85-N145 PolarHBondContact O-OD1 2.97Å
146	N	96.1	Very high	86.1	Confident	76 Å²	76	59.3 Å²	59.3	41%	0.406	30%	0.296	S	S	.	.			trans	-97.8	106.3	-176.2	-171.4	-23.1	0	0	0	111.3	T144 K148 L149 D150	T144-N146 PolarHBondContact OG1-N 2.84Å; T144-N146 VanDerWaalsContact OG1-N 3.16Å; N146-K148 VanDerWaalsContact C-N 3.27Å; N146-K148 PolarHBondContact O-N 3Å; N146-K148 WeakPolarHBondContact OD1-CB 3.1Å; N146-K148 PolarHBondContact OD1-N 3.49Å; N146-L149 HydrophobicContact CB-CB 4.21Å; N146-L149 HydrophobicContact CB-CD1 3.86Å; N146-L149 HydrophobicContact CB-CG 3.92Å; N146-L149 PolarHBondContact O-N 3.28Å; N146-L149 VanDerWaalsContact O-N 3.11Å; N146-L149 PolarHBondContact OD1-N 3.4Å; N146-D150 PolarHBondContact O-N 3.11Å
147	W	96.5	Very high	87.9	Confident	16 Å²	16	57.5 Å²	57.5	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-36.3	177	-68.9	92.2	0	0	0	114	D60 R62 A83 L128 D150 A151 F162 Y201	D60-W147 HydrophobicContact CB-CZ2 3.72Å; R62-W147 HydrophobicContact CB-CH2 3.53Å; R62-W147 HydrophobicContact CB-CZ2 4.45Å; R62-W147 HydrophobicContact CB-CZ3 3.73Å; R62-W147 HydrophobicContact CG-CH2 3.45Å; R62-W147 VanDerWaalsContact CG-CH2 3.45Å; R62-W147 HydrophobicContact CG-CZ2 3.89Å; R62-W147 HydrophobicContact CG-CZ3 3.94Å; R62-W147 VanDerWaalsContact NH1-CD1 3.26Å; R62-W147 VanDerWaalsContact NH1-CG 3.25Å; R62-W147 VanDerWaalsContact NH1-NE1 3.12Å; A83-W147 HydrophobicContact CB-CH2 4.19Å; A83-W147 HydrophobicContact CB-CZ3 3.82Å; A83-W147 WeakPolarHBondContact O-CH2 3.43Å; L128-W147 HydrophobicContact CD1-CD2 3.68Å; L128-W147 HydrophobicContact CD1-CE3 4.14Å; L128-W147 HydrophobicContact CD1-CG 3.94Å; L128-W147 HydrophobicContact CD1-CZ2 4.18Å; L128-W147 HydrophobicContact CD2-CD2 4.05Å; L128-W147 HydrophobicContact CD2-CE3 3.62Å; L128-W147 HydrophobicContact CD2-CH2 4.33Å; L128-W147 HydrophobicContact CD2-CZ3 3.78Å; L128-W147 HydrophobicContact CG-CD2 4.46Å; L128-W147 HydrophobicContact CG-CE3 4.45Å; W147-D150 PolarHBondContact O-N 3.05Å; W147-A151 PolarHBondContact O-N 3.04Å; W147-F162 HydrophobicContact CB-CE2 4.49Å; W147-F162 HydrophobicContact CE3-CB 4.32Å; W147-F162 AromaticContact CE3-CD1 3.77Å; W147-F162 HydrophobicContact CE3-CD1 3.77Å; W147-F162 AromaticContact CE3-CD2 3.8Å; W147-F162 HydrophobicContact CE3-CD2 3.8Å; W147-F162 AromaticContact CE3-CE1 3.93Å; W147-F162 HydrophobicContact CE3-CE1 3.93Å; W147-F162 AromaticContact CE3-CE2 3.93Å; W147-F162 HydrophobicContact CE3-CE2 3.93Å; W147-F162 AromaticContact CE3-CG 3.7Å; W147-F162 HydrophobicContact CE3-CG 3.7Å; W147-F162 HydrophobicContact CE3-CZ 4.01Å; W147-F162 HydrophobicContact CZ3-CB 4.28Å; W147-F162 AromaticContact CZ3-CD1 3.59Å; W147-F162 HydrophobicContact CZ3-CD1 3.59Å; W147-F162 HydrophobicContact CZ3-CD2 4.42Å; W147-F162 AromaticContact CZ3-CE1 3.94Å; W147-F162 HydrophobicContact CZ3-CE1 3.94Å; W147-F162 AromaticContact CZ3-CG 3.85Å; W147-F162 HydrophobicContact CZ3-CG 3.85Å; W147-F162 HydrophobicContact CZ3-CZ 4.48Å; W147-F162 WeakPolarHBondContact O-CE2 3.43Å; W147-Y201 HydrophobicContact CB-CE2 4.08Å; W147-Y201 VanDerWaalsContact CB-OH 3.28Å; W147-Y201 WeakPolarHBondContact CB-OH 3.38Å
148	K	96.2	Very high	89.9	Confident	84 Å²	84	49.6 Å²	49.6	37%	0.365	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-41.2	177.3	-175.9	178.2	173.4	-177	0	111.1	N146 D150 A151 E152 Y201 F202	N146-K148 VanDerWaalsContact C-N 3.27Å; N146-K148 PolarHBondContact O-N 3Å; N146-K148 WeakPolarHBondContact OD1-CB 3.1Å; N146-K148 PolarHBondContact OD1-N 3.49Å; K148-D150 VanDerWaalsContact C-N 3.33Å; K148-D150 PolarHBondContact O-N 3.22Å; K148-A151 WeakPolarHBondContact O-CB 3.13Å; K148-A151 PolarHBondContact O-N 3.49Å; K148-E152 WeakPolarHBondContact CE-OE1 3.26Å; K148-E152 WeakPolarHBondContact O-CG 3.5Å; K148-E152 PolarHBondContact O-N 3.47Å; K148-Y201 HydrophobicContact CB-CD1 3.8Å; K148-Y201 HydrophobicContact CB-CE1 3.8Å; K148-Y201 HydrophobicContact CB-CG 4.21Å; K148-Y201 HydrophobicContact CD-CD1 4.19Å; K148-Y201 HydrophobicContact CG-CD1 3.82Å; K148-Y201 HydrophobicContact CG-CE1 4.33Å; K148-Y201 HydrophobicContact CG-CG 4.11Å; K148-F202 HydrophobicContact CG-CZ 4.46Å
149	L	94.9	Very high	91.8	Very high	63 Å²	63	42.9 Å²	42.9	33%	0.33	22%	0.216	S	C	.	.	H	α-helix	trans	-65.7	-36.7	177.9	-65.3	-179.5	0	0	0	111.8	V130 T144 N146 E152 R153	V130-L149 HydrophobicContact CG2-CB 3.87Å; V130-L149 HydrophobicContact CG2-CD1 4.31Å; T144-L149 HydrophobicContact CG2-CB 4.33Å; N146-L149 HydrophobicContact CB-CB 4.21Å; N146-L149 HydrophobicContact CB-CD1 3.86Å; N146-L149 HydrophobicContact CB-CG 3.92Å; N146-L149 PolarHBondContact O-N 3.28Å; N146-L149 VanDerWaalsContact O-N 3.11Å; N146-L149 PolarHBondContact OD1-N 3.4Å; L149-E152 PolarHBondContact O-N 3.04Å; L149-R153 PolarHBondContact O-N 3.16Å
150	D	96	Very high	93.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-36.8	172.5	-168.1	82.8	0	0	0	112.2	L128 R129 N146 W147 K148 E152 R153 R154 F162	L128-D150 WeakPolarHBondContact CA-OD1 3.43Å; L128-D150 HydrophobicContact CB-CB 4.18Å; L128-D150 HydrophobicContact CD2-CB 3.52Å; L128-D150 HydrophobicContact CG-CB 4.39Å; R129-D150 PolarHBondContact N-OD1 3.23Å; N146-D150 PolarHBondContact O-N 3.11Å; W147-D150 PolarHBondContact O-N 3.05Å; K148-D150 VanDerWaalsContact C-N 3.33Å; K148-D150 PolarHBondContact O-N 3.22Å; D150-E152 VanDerWaalsContact C-N 3.35Å; D150-R153 VanDerWaalsContact CG-NH2 3.31Å; D150-R153 WeakPolarHBondContact O-CG 3.32Å; D150-R153 IonicContact OD1-CZ 3.93Å; D150-R153 IonicContact OD1-NE 3.85Å; D150-R153 PolarHBondContact OD1-NE 3Å; D150-R153 IonicContact OD1-NH2 3.71Å; D150-R153 PolarHBondContact OD1-NH2 2.82Å; D150-R153 IonicContact OD2-CZ 3.5Å; D150-R153 IonicContact OD2-NE 3Å; D150-R153 IonicContact OD2-NH2 3.08Å; D150-R153 PolarHBondContact OD2-NH2 2.71Å; D150-R153 VanDerWaalsContact OD2-NH2 3.14Å; D150-R154 WeakPolarHBondContact O-CG 3.49Å; D150-R154 IonicContact OD2-CZ 2.95Å; D150-R154 IonicContact OD2-NE 2.67Å; D150-R154 PolarHBondContact OD2-NE 3.36Å; D150-R154 IonicContact OD2-NH2 3.14Å; D150-R154 PolarHBondContact OD2-NH2 3.29Å; D150-F162 HydrophobicContact CB-CZ 4.12Å; D150-F162 WeakPolarHBondContact OD2-CZ 3.41Å
151	A	96	Very high	94.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-39.4	172.9	0	0	0	0	0	111.9	W147 K148 R153 R154 S160 F162 Y201 F202	W147-A151 PolarHBondContact O-N 3.04Å; K148-A151 WeakPolarHBondContact O-CB 3.13Å; K148-A151 PolarHBondContact O-N 3.49Å; A151-R153 VanDerWaalsContact C-N 3.34Å; A151-R153 PolarHBondContact O-N 2.93Å; A151-R154 WeakPolarHBondContact O-CB 3.31Å; A151-R154 PolarHBondContact O-N 2.92Å; A151-R154 VanDerWaalsContact O-N 3.13Å; A151-S160 WeakPolarHBondContact CB-O 3.48Å; A151-F162 HydrophobicContact CB-CE2 3.82Å; A151-F162 HydrophobicContact CB-CZ 4.37Å; A151-Y201 HydrophobicContact CB-CD2 3.77Å; A151-Y201 HydrophobicContact CB-CG 4.45Å; A151-F202 HydrophobicContact CB-CD2 3.98Å; A151-F202 HydrophobicContact CB-CE2 3.59Å
152	E	94.7	Very high	95.2	Very high	71 Å²	71	33.7 Å²	33.7	33%	0.332	17%	0.167	S	C	.	.	H	α-helix	trans	-60.9	-38.7	179.8	-78.2	177.3	-177.8	0	0	112.8	K148 L149 D150 R154 F202 R222	K148-E152 WeakPolarHBondContact CE-OE1 3.26Å; K148-E152 WeakPolarHBondContact O-CG 3.5Å; K148-E152 PolarHBondContact O-N 3.47Å; L149-E152 PolarHBondContact O-N 3.04Å; D150-E152 VanDerWaalsContact C-N 3.35Å; E152-R154 PolarHBondContact O-N 2.97Å; E152-F202 HydrophobicContact CB-CZ 4.33Å; E152-F202 HydrophobicContact CG-CE1 4.13Å; E152-F202 HydrophobicContact CG-CE2 3.76Å; E152-F202 HydrophobicContact CG-CZ 3.2Å; E152-R222 PolarHBondContact O-NH1 2.97Å
153	R	91	Very high	95.5	Very high	35 Å²	35	29.9 Å²	29.9	13%	0.132	14%	0.144	C	C	.	.	H	α-helix	trans	-71	-16.5	177.9	64.7	156.4	-174.2	96.2	2.6	113.7	R129 L149 D150 A151 R222	R129-R153 VanDerWaalsContact CG-NE 3.3Å; R129-R153 WeakPolarHBondContact O-CD 3.41Å; R129-R153 PolarHBondContact O-NE 2.71Å; L149-R153 PolarHBondContact O-N 3.16Å; D150-R153 VanDerWaalsContact CG-NH2 3.31Å; D150-R153 WeakPolarHBondContact O-CG 3.32Å; D150-R153 IonicContact OD1-CZ 3.93Å; D150-R153 IonicContact OD1-NE 3.85Å; D150-R153 PolarHBondContact OD1-NE 3Å; D150-R153 IonicContact OD1-NH2 3.71Å; D150-R153 PolarHBondContact OD1-NH2 2.82Å; D150-R153 IonicContact OD2-CZ 3.5Å; D150-R153 IonicContact OD2-NE 3Å; D150-R153 IonicContact OD2-NH2 3.08Å; D150-R153 PolarHBondContact OD2-NH2 2.71Å; D150-R153 VanDerWaalsContact OD2-NH2 3.14Å; A151-R153 VanDerWaalsContact C-N 3.34Å; A151-R153 PolarHBondContact O-N 2.93Å; R153-R222 PolarHBondContact O-NH2 3.4Å
154	R	92.9	Very high	95.6	Very high	40 Å²	40	29.8 Å²	29.8	15%	0.151	14%	0.144	C	C	.	.	S	Bend	trans	-72.7	156.1	-179.7	-67.2	167.1	-178.6	-97.2	-3.2	110.4	D150 A151 E152 N159 V216 R222	D150-R154 WeakPolarHBondContact O-CG 3.49Å; D150-R154 IonicContact OD2-CZ 2.95Å; D150-R154 IonicContact OD2-NE 2.67Å; D150-R154 PolarHBondContact OD2-NE 3.36Å; D150-R154 IonicContact OD2-NH2 3.14Å; D150-R154 PolarHBondContact OD2-NH2 3.29Å; A151-R154 WeakPolarHBondContact O-CB 3.31Å; A151-R154 PolarHBondContact O-N 2.92Å; A151-R154 VanDerWaalsContact O-N 3.13Å; E152-R154 PolarHBondContact O-N 2.97Å; R154-N159 WeakPolarHBondContact CD-O 3.45Å; R154-V216 WeakPolarHBondContact O-CB 3.27Å; R154-R222 PolarHBondContact O-NH1 2.8Å; R154-R222 PolarHBondContact O-NH2 3.12Å
155	D	92.3	Very high	95.5	Very high	13 Å²	13	29 Å²	29	7%	0.07	14%	0.14	C	C	.	.	S	Bend	trans	-75.7	-51.8	-169.4	58.5	-18.1	0	0	0	113.1	F215 V216 R229 R232	D155-F215 VanDerWaalsContact O-CA 3.31Å; D155-F215 WeakPolarHBondContact O-CA 3.25Å; D155-F215 WeakPolarHBondContact O-CD1 3.42Å; D155-V216 PolarHBondContact O-N 2.97Å; D155-R229 HydrophobicContact CB-CG 4.28Å; D155-R232 IonicContact OD1-NH2 2.92Å; D155-R232 IonicContact OD2-CZ 3.28Å; D155-R232 IonicContact OD2-NE 3.59Å; D155-R232 PolarHBondContact OD2-NE 2.74Å; D155-R232 IonicContact OD2-NH2 3.11Å; D155-R232 PolarHBondContact OD2-NH2 3.12Å
156	L	96.8	Very high	95.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-119.7	146.5	-171.9	-60.2	174.9	0	0	0	111.8	V158 N159 S160 I213 R214 F215 F236	L156-V158 VanDerWaalsContact C-N 3.3Å; L156-V158 HydrophobicContact CB-CG2 4.1Å; L156-V158 PolarHBondContact O-N 2.87Å; L156-N159 CarbonylContact O-C 3.48Å; L156-N159 WeakPolarHBondContact O-CA 3.33Å; L156-N159 PolarHBondContact O-N 3.13Å; L156-S160 PolarHBondContact O-N 3.03Å; L156-S160 VanDerWaalsContact O-N 3.16Å; L156-I213 HydrophobicContact CD1-CG2 3.93Å; L156-I213 HydrophobicContact CD2-CG2 3.87Å; L156-R214 CarbonylContact C-O 3.49Å; L156-R214 VanDerWaalsContact CA-O 3.24Å; L156-R214 WeakPolarHBondContact CA-O 3.28Å; L156-R214 WeakPolarHBondContact CD2-O 3.31Å; L156-F215 HydrophobicContact CD2-CD1 3.96Å; L156-F215 HydrophobicContact CD2-CE1 4.04Å; L156-F215 HydrophobicContact CD2-CG 4.21Å; L156-F215 HydrophobicContact CD2-CZ 4.39Å; L156-F236 HydrophobicContact CD1-CB 3.79Å; L156-F236 HydrophobicContact CD1-CD2 3.2Å; L156-F236 HydrophobicContact CD1-CE2 3.85Å; L156-F236 HydrophobicContact CD1-CG 3.68Å
157	T	97.5	Very high	94.9	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.018	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-55.4	-46.3	-179.1	59.2	0	0	0	0	111.2	N159 S160 F202 G204 D207 R214 V216	T157-N159 PolarHBondContact O-N 2.8Å; T157-N159 VanDerWaalsContact O-N 3.08Å; T157-S160 WeakPolarHBondContact CA-OG 3.37Å; T157-S160 PolarHBondContact O-N 3.36Å; T157-S160 PolarHBondContact O-OG 3.1Å; T157-F202 HydrophobicContact CG2-CB 4.02Å; T157-G204 WeakPolarHBondContact O-CA 3.32Å; T157-D207 WeakPolarHBondContact CB-OD2 3.45Å; T157-D207 PolarHBondContact OG1-OD2 2.88Å; T157-R214 HydrophobicContact CG2-CB 3.98Å; T157-R214 PolarHBondContact N-O 2.89Å; T157-V216 HydrophobicContact CG2-CG2 4.28Å
158	V	96.8	Very high	94.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-62.5	-13.2	176.3	-58.8	0	0	0	0	114.8	R69 L156 M161 D207 L208 L240	R69-V158 WeakPolarHBondContact CB-O 3.05Å; L156-V158 VanDerWaalsContact C-N 3.3Å; L156-V158 HydrophobicContact CB-CG2 4.1Å; L156-V158 PolarHBondContact O-N 2.87Å; V158-M161 VanDerWaalsContact O-CE 3.26Å; V158-M161 WeakPolarHBondContact O-CE 3.4Å; V158-D207 HydrophobicContact CG1-CB 4.07Å; V158-L208 HydrophobicContact CG1-CB 4.02Å; V158-L208 HydrophobicContact CG1-CD1 4.41Å; V158-L240 HydrophobicContact CB-CD1 4.36Å; V158-L240 HydrophobicContact CG1-CD1 4.35Å; V158-L240 HydrophobicContact CG2-CD1 3.95Å
159	N	96.2	Very high	93.3	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.043	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-113.4	6.7	176.5	-62.1	-25.5	0	0	0	112.6	G65 R69 R154 L156 T157 F236	G65-N159 VanDerWaalsContact CA-O 3.27Å; G65-N159 WeakPolarHBondContact CA-O 3.42Å; R69-N159 PolarHBondContact NH1-OD1 3.23Å; R154-N159 WeakPolarHBondContact CD-O 3.45Å; L156-N159 CarbonylContact O-C 3.48Å; L156-N159 WeakPolarHBondContact O-CA 3.33Å; L156-N159 PolarHBondContact O-N 3.13Å; T157-N159 PolarHBondContact O-N 2.8Å; T157-N159 VanDerWaalsContact O-N 3.08Å; N159-F236 WeakPolarHBondContact ND2-CE2 3.36Å; N159-F236 WeakPolarHBondContact ND2-CZ 3.27Å
160	S	97.1	Very high	92.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-102	5.5	-175.3	72.2	0	0	0	0	114.2	A151 L156 T157	A151-S160 WeakPolarHBondContact CB-O 3.48Å; L156-S160 PolarHBondContact O-N 3.03Å; L156-S160 VanDerWaalsContact O-N 3.16Å; T157-S160 WeakPolarHBondContact CA-OG 3.37Å; T157-S160 PolarHBondContact O-N 3.36Å; T157-S160 PolarHBondContact O-OG 3.1Å
161	M	97.5	Very high	92.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.			trans	-89.7	155.9	-177.1	-59.8	173.9	-67.6	0	0	111.9	G65 V68 L72 V158 L198 L199 D200 R205	G65-M161 PolarHBondContact N-O 2.99Å; V68-M161 HydrophobicContact CB-CB 4.41Å; V68-M161 HydrophobicContact CG1-CB 3.81Å; V68-M161 HydrophobicContact CG1-CE 4.45Å; L72-M161 HydrophobicContact CD1-CE 3.65Å; L72-M161 HydrophobicContact CD1-SD 3.67Å; V158-M161 VanDerWaalsContact O-CE 3.26Å; V158-M161 WeakPolarHBondContact O-CE 3.4Å; M161-L198 HydrophobicContact CB-CD1 4.15Å; M161-L198 HydrophobicContact SD-CD1 4.34Å; M161-L199 WeakPolarHBondContact CA-O 3.31Å; M161-D200 HydrophobicContact CG-CB 4.08Å; M161-D200 HydrophobicContact SD-CB 4.48Å; M161-R205 HydrophobicContact SD-CB 4.31Å; M161-R205 PolarHBondContact SD-N 3.44Å; M161-R205 VanDerWaalsContact SD-N 3.42Å
162	F	97.8	Very high	91.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	153.8	171.6	-52.2	-80.9	0	0	0	110.7	R62 I63 A64 A83 L128 W147 D150 A151 L199 Y201	R62-F162 HydrophobicContact CB-CB 4.27Å; I63-F162 CarbonylContact O-C 3.52Å; I63-F162 VanDerWaalsContact O-CA 3.27Å; I63-F162 WeakPolarHBondContact O-CA 3.45Å; A64-F162 HydrophobicContact CB-CD1 3.75Å; A64-F162 HydrophobicContact CB-CE1 3.92Å; A83-F162 HydrophobicContact CB-CD1 4.28Å; A83-F162 HydrophobicContact CB-CE1 4.05Å; L128-F162 HydrophobicContact CD2-CE1 4.48Å; L128-F162 HydrophobicContact CD2-CZ 4.47Å; W147-F162 HydrophobicContact CB-CE2 4.49Å; W147-F162 HydrophobicContact CE3-CB 4.32Å; W147-F162 AromaticContact CE3-CD1 3.77Å; W147-F162 HydrophobicContact CE3-CD1 3.77Å; W147-F162 AromaticContact CE3-CD2 3.8Å; W147-F162 HydrophobicContact CE3-CD2 3.8Å; W147-F162 AromaticContact CE3-CE1 3.93Å; W147-F162 HydrophobicContact CE3-CE1 3.93Å; W147-F162 AromaticContact CE3-CE2 3.93Å; W147-F162 HydrophobicContact CE3-CE2 3.93Å; W147-F162 AromaticContact CE3-CG 3.7Å; W147-F162 HydrophobicContact CE3-CG 3.7Å; W147-F162 HydrophobicContact CE3-CZ 4.01Å; W147-F162 HydrophobicContact CZ3-CB 4.28Å; W147-F162 AromaticContact CZ3-CD1 3.59Å; W147-F162 HydrophobicContact CZ3-CD1 3.59Å; W147-F162 HydrophobicContact CZ3-CD2 4.42Å; W147-F162 AromaticContact CZ3-CE1 3.94Å; W147-F162 HydrophobicContact CZ3-CE1 3.94Å; W147-F162 AromaticContact CZ3-CG 3.85Å; W147-F162 HydrophobicContact CZ3-CG 3.85Å; W147-F162 HydrophobicContact CZ3-CZ 4.48Å; W147-F162 WeakPolarHBondContact O-CE2 3.43Å; D150-F162 HydrophobicContact CB-CZ 4.12Å; D150-F162 WeakPolarHBondContact OD2-CZ 3.41Å; A151-F162 HydrophobicContact CB-CE2 3.82Å; A151-F162 HydrophobicContact CB-CZ 4.37Å; F162-L199 HydrophobicContact CB-CB 4.33Å; F162-L199 PolarHBondContact N-O 2.95Å; F162-L199 PolarHBondContact O-N 3.19Å; F162-Y201 HydrophobicContact CD2-CE2 4.05Å; F162-Y201 HydrophobicContact CE2-CD2 4.48Å; F162-Y201 HydrophobicContact CE2-CE2 4.16Å
163	L	96.6	Very high	90.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	118.1	178.1	-175.1	74.4	0	0	0	109.5	I34 L36 R62 I63 V68 I71 H197 L198	I34-L163 HydrophobicContact CB-CD1 4.27Å; I34-L163 HydrophobicContact CG1-CD1 4.04Å; L36-L163 HydrophobicContact CD1-CD2 4.08Å; L36-L163 HydrophobicContact CD2-CD2 3.74Å; R62-L163 WeakPolarHBondContact CA-O 3.46Å; R62-L163 WeakPolarHBondContact CB-O 3.5Å; I63-L163 HydrophobicContact CB-CB 4.28Å; I63-L163 HydrophobicContact CD1-CD2 4.29Å; I63-L163 PolarHBondContact N-O 3.33Å; I63-L163 PolarHBondContact O-N 2.64Å; V68-L163 HydrophobicContact CG1-CB 4.11Å; V68-L163 HydrophobicContact CG2-CB 3.83Å; I71-L163 HydrophobicContact CD1-CD2 3.7Å; I71-L163 HydrophobicContact CG2-CD2 4.19Å; L163-H197 WeakPolarHBondContact CA-O 3.28Å; L163-L198 HydrophobicContact CD1-CB 4.29Å; L163-L198 HydrophobicContact CD1-CD1 4.5Å
164	E	95	Very high	89.7	Confident	72 Å²	72	26.6 Å²	26.6	34%	0.336	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.1	173.9	-174	170.7	161.6	0	0	109.1	R62 G196 H197 L199	R62-E164 HydrophobicContact CG-CB 3.96Å; R62-E164 HydrophobicContact CG-CG 4.34Å; R62-E164 IonicContact CZ-OE2 3.6Å; R62-E164 VanDerWaalsContact CZ-OE2 3.27Å; R62-E164 IonicContact NE-OE2 3.66Å; R62-E164 PolarHBondContact NE-OE2 3.49Å; R62-E164 IonicContact NH2-OE2 3Å; R62-E164 PolarHBondContact NH2-OE2 3.37Å; E164-G196 CarbonylContact O-C 3.46Å; E164-G196 WeakPolarHBondContact O-CA 3.42Å; E164-H197 HydrophobicContact CB-CB 4.38Å; E164-H197 PolarHBondContact N-O 3.07Å; E164-H197 PolarHBondContact O-N 2.95Å; E164-L199 HydrophobicContact CB-CD1 4.46Å
165	V	92.7	Very high	88.9	Confident	10 Å²	10	27.5 Å²	27.5	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129	179.9	-174.9	0	0	0	0	109	L36 I63 M167 V194	L36-V165 HydrophobicContact CD1-CB 4.36Å; L36-V165 HydrophobicContact CD1-CG1 4.05Å; L36-V165 HydrophobicContact CD1-CG2 3.9Å; I63-V165 HydrophobicContact CD1-CG2 3.7Å; I63-V165 HydrophobicContact CG1-CG2 4.4Å; V165-M167 HydrophobicContact CB-CG 4.19Å; V165-M167 HydrophobicContact CB-SD 4.32Å; V165-M167 HydrophobicContact CG1-CG 4.07Å; V165-M167 HydrophobicContact CG1-SD 3.67Å; V165-M167 PolarHBondContact O-N 3.26Å; V165-V194 HydrophobicContact CG1-CG1 4.01Å
166	D	90.1	Very high	87.8	Confident	79 Å²	79	33.2 Å²	33.2	42%	0.422	17%	0.165	S	C	.	.			trans	-74	92.8	171	-177.8	6.2	0	0	0	109.8	Q168 L195	D166-Q168 WeakPolarHBondContact OD1-CB 3.4Å; D166-Q168 PolarHBondContact OD1-N 3.28Å; D166-Q168 VanDerWaalsContact OD1-N 3.14Å; D166-L195 WeakPolarHBondContact CB-O 3.36Å; D166-L195 PolarHBondContact N-O 3.31Å
167	M	88.2	Confident	86.2	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.03	20%	0.195	C	C	.	.			trans	-87.7	-4.9	-178.7	-67.2	-63.9	-126.4	0	0	113.6	I48 H51 V165 G169 L170 F171	I48-M167 HydrophobicContact CG1-CE 4.02Å; H51-M167 HydrophobicContact CB-CE 3.84Å; H51-M167 HydrophobicContact CB-CG 3.94Å; H51-M167 VanDerWaalsContact CG-CE 3.45Å; H51-M167 VanDerWaalsContact ND1-CE 3.27Å; H51-M167 WeakPolarHBondContact ND1-CE 3.48Å; V165-M167 HydrophobicContact CB-CG 4.19Å; V165-M167 HydrophobicContact CB-SD 4.32Å; V165-M167 HydrophobicContact CG1-CG 4.07Å; V165-M167 HydrophobicContact CG1-SD 3.67Å; V165-M167 PolarHBondContact O-N 3.26Å; M167-G169 VanDerWaalsContact C-N 3.27Å; M167-G169 PolarHBondContact O-N 3.41Å; M167-L170 PolarHBondContact O-N 3.42Å; M167-L170 HydrophobicContact SD-CD1 3.56Å; M167-L170 VanDerWaalsContact SD-CD1 3.56Å; M167-F171 HydrophobicContact CB-CD1 4.34Å; M167-F171 HydrophobicContact CB-CD2 4.21Å; M167-F171 HydrophobicContact CB-CE1 3.71Å; M167-F171 HydrophobicContact CB-CE2 3.55Å; M167-F171 HydrophobicContact CB-CZ 3.29Å; M167-F171 HydrophobicContact CG-CE1 4.44Å; M167-F171 HydrophobicContact CG-CZ 4.15Å; M167-F171 VanDerWaalsContact O-CD2 3.3Å; M167-F171 WeakPolarHBondContact O-CD2 3.41Å; M167-F171 VanDerWaalsContact O-CG 3.31Å; M167-F171 WeakPolarHBondContact O-CG 3.47Å; M167-F171 PolarHBondContact O-N 2.99Å
168	Q	81.7	Confident	84.4	Confident	90 Å²	90	41.1 Å²	41.1	42%	0.421	22%	0.221	S	C	.	.	H	α-helix	trans	-57.2	-44.9	-170.6	-177.6	58.7	52.2	0	0	111.4	D166 L170 F171	D166-Q168 WeakPolarHBondContact OD1-CB 3.4Å; D166-Q168 PolarHBondContact OD1-N 3.28Å; D166-Q168 VanDerWaalsContact OD1-N 3.14Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 3.13Å; Q168-F171 PolarHBondContact O-N 3.33Å
169	G	77.6	Confident	82.5	Confident	7 Å²	7	46.1 Å²	46.1	7%	0.072	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-35.3	177.9	0	0	0	0	0	115.2	M167 R192	M167-G169 VanDerWaalsContact C-N 3.27Å; M167-G169 PolarHBondContact O-N 3.41Å; G169-R192 VanDerWaalsContact CA-NH1 3.33Å; G169-R192 PolarHBondContact O-NH1 3.24Å
170	L	81.3	Confident	80	Confident	17 Å²	17	50.7 Å²	50.7	9%	0.089	28%	0.276	C	S	.	.	H	α-helix	trans	-76.9	-29.5	-178.1	-65.5	167.7	0	0	0	111.6	Y43 I48 M167 Q168 F174 V194	Y43-L170 HydrophobicContact CG-CD1 4.36Å; I48-L170 HydrophobicContact CD1-CB 4.1Å; I48-L170 HydrophobicContact CG1-CB 4.33Å; M167-L170 PolarHBondContact O-N 3.42Å; M167-L170 HydrophobicContact SD-CD1 3.56Å; M167-L170 VanDerWaalsContact SD-CD1 3.56Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 3.13Å; L170-F174 VanDerWaalsContact O-CB 3.26Å; L170-F174 WeakPolarHBondContact O-CB 3.06Å; L170-F174 PolarHBondContact O-N 3.21Å; L170-V194 HydrophobicContact CD1-CG1 4.14Å; L170-V194 HydrophobicContact CD1-CG2 4.18Å; L170-V194 HydrophobicContact CD2-CG2 4.39Å
171	F	83.5	Confident	77.6	Confident	16 Å²	16	57 Å²	57	7%	0.07	32%	0.32	C	S	.	.	H	α-helix	trans	-64.5	-39.9	174.7	-63.7	-34.9	0	0	0	112.8	I48 H51 K52 K55 M167 Q168 F174 N175	I48-F171 HydrophobicContact CG2-CD1 3.82Å; I48-F171 HydrophobicContact CG2-CE1 4.1Å; H51-F171 HydrophobicContact CB-CE1 4.06Å; H51-F171 HydrophobicContact CB-CZ 3.93Å; K52-F171 HydrophobicContact CB-CD1 4.14Å; K52-F171 HydrophobicContact CB-CE1 3.76Å; K52-F171 HydrophobicContact CB-CZ 4.4Å; K55-F171 HydrophobicContact CD-CD2 4.22Å; K55-F171 HydrophobicContact CD-CE2 3.5Å; K55-F171 VanDerWaalsContact CD-CE2 3.5Å; K55-F171 HydrophobicContact CD-CZ 4.23Å; M167-F171 HydrophobicContact CB-CD1 4.34Å; M167-F171 HydrophobicContact CB-CD2 4.21Å; M167-F171 HydrophobicContact CB-CE1 3.71Å; M167-F171 HydrophobicContact CB-CE2 3.55Å; M167-F171 HydrophobicContact CB-CZ 3.29Å; M167-F171 HydrophobicContact CG-CE1 4.44Å; M167-F171 HydrophobicContact CG-CZ 4.15Å; M167-F171 VanDerWaalsContact O-CD2 3.3Å; M167-F171 WeakPolarHBondContact O-CD2 3.41Å; M167-F171 VanDerWaalsContact O-CG 3.31Å; M167-F171 WeakPolarHBondContact O-CG 3.47Å; M167-F171 PolarHBondContact O-N 2.99Å; Q168-F171 PolarHBondContact O-N 3.33Å; F171-F174 PolarHBondContact O-N 2.82Å; F171-N175 PolarHBondContact O-N 3.4Å; F171-N175 VanDerWaalsContact O-N 3.07Å; F171-N175 PolarHBondContact O-ND2 3.14Å
172	D	79.4	Confident	74.8	Confident	75 Å²	75	61.9 Å²	61.9	40%	0.401	36%	0.355	S	S	.	.	H	α-helix	trans	-64.4	-49.2	-178.4	-60.6	-26.4	0	0	0	110	F174 N175 E176	D172-F174 PolarHBondContact O-N 3.11Å; D172-N175 PolarHBondContact O-N 3.27Å; D172-E176 PolarHBondContact O-N 2.93Å; D172-E176 VanDerWaalsContact O-N 3.1Å
173	E	75.7	Confident	71.8	Confident	88 Å²	88	65.3 Å²	65.3	41%	0.411	38%	0.383	S	S	.	.	H	α-helix	trans	-61.5	-40.5	176.7	-69.2	169.7	-150.3	0	0	112.5	N175 E176 A177 R192	E173-N175 VanDerWaalsContact C-N 3.32Å; E173-N175 PolarHBondContact O-N 3.47Å; E173-E176 PolarHBondContact O-N 2.9Å; E173-A177 WeakPolarHBondContact O-CB 3.07Å; E173-A177 PolarHBondContact O-N 3.23Å; E173-R192 WeakPolarHBondContact OE1-CD 3.36Å; E173-R192 IonicContact OE1-CZ 2.64Å; E173-R192 IonicContact OE1-NE 2.68Å; E173-R192 IonicContact OE1-NH1 3.08Å; E173-R192 PolarHBondContact OE1-NH1 3.15Å
174	F	77	Confident	68.8	Low	33 Å²	33	72 Å²	72	15%	0.145	42%	0.419	C	S	.	.	H	α-helix	trans	-65.1	-35.4	178.2	-169.2	-101.2	0	0	0	112.7	E45 I48 I49 L170 F171 D172 T178	E45-F174 HydrophobicContact CB-CE2 3.95Å; E45-F174 HydrophobicContact CG-CE2 3.5Å; E45-F174 HydrophobicContact CG-CZ 3.87Å; I48-F174 HydrophobicContact CG2-CB 4.05Å; I48-F174 HydrophobicContact CG2-CD1 4.3Å; I48-F174 HydrophobicContact CG2-CD2 4.3Å; I48-F174 HydrophobicContact CG2-CG 3.94Å; I49-F174 HydrophobicContact CD1-CZ 4.01Å; I49-F174 HydrophobicContact CG1-CE1 3.98Å; I49-F174 HydrophobicContact CG1-CZ 3.79Å; L170-F174 VanDerWaalsContact O-CB 3.26Å; L170-F174 WeakPolarHBondContact O-CB 3.06Å; L170-F174 PolarHBondContact O-N 3.21Å; F171-F174 PolarHBondContact O-N 2.82Å; D172-F174 PolarHBondContact O-N 3.11Å; F174-T178 HydrophobicContact CE1-CG2 4.43Å; F174-T178 HydrophobicContact CZ-CG2 4.5Å; F174-T178 WeakPolarHBondContact O-CG2 3.35Å; F174-T178 PolarHBondContact O-N 2.88Å; F174-T178 PolarHBondContact O-OG1 3.37Å
175	N	75.2	Confident	66.1	Low	59 Å²	59	77.3 Å²	77.3	32%	0.316	44%	0.444	S	S	.	.	H	α-helix	trans	-73.3	-36.8	176.8	-65.9	-31.1	0	0	0	112.2	K52 F171 D172 E173 T178 T179	K52-N175 PolarHBondContact NZ-OD1 2.89Å; F171-N175 PolarHBondContact O-N 3.4Å; F171-N175 VanDerWaalsContact O-N 3.07Å; F171-N175 PolarHBondContact O-ND2 3.14Å; D172-N175 PolarHBondContact O-N 3.27Å; E173-N175 VanDerWaalsContact C-N 3.32Å; E173-N175 PolarHBondContact O-N 3.47Å; N175-T178 WeakPolarHBondContact CA-OG1 2.98Å; N175-T178 PolarHBondContact O-N 2.76Å; N175-T178 PolarHBondContact O-OG1 2.86Å; N175-T179 PolarHBondContact O-N 3.41Å; N175-T179 PolarHBondContact O-OG1 3Å
176	E	69.4	Low	63.3	Low	133 Å²	133	83.5 Å²	83.5	62%	0.621	48%	0.476	S	S	*	.	H	α-helix	trans	-65.8	-45.5	176	-72.5	179.9	-179.4	0	0	111.5	D172 E173 T178 T179 D180	D172-E176 PolarHBondContact O-N 2.93Å; D172-E176 VanDerWaalsContact O-N 3.1Å; E173-E176 PolarHBondContact O-N 2.9Å; E176-T178 PolarHBondContact O-N 3.47Å; E176-T179 PolarHBondContact O-N 3.15Å; E176-T179 VanDerWaalsContact O-N 3.11Å; E176-T179 PolarHBondContact O-OG1 3.32Å; E176-T179 VanDerWaalsContact O-OG1 3.13Å; E176-D180 PolarHBondContact O-N 3.06Å; E176-D180 VanDerWaalsContact O-N 3.12Å
177	A	63.7	Low	60.7	Low	77 Å²	77	87.2 Å²	87.2	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-63	-26	178.6	0	0	0	0	0	113.8	E173	E173-A177 WeakPolarHBondContact O-CB 3.07Å; E173-A177 PolarHBondContact O-N 3.23Å
178	T	59.4	Low	58.1	Low	92 Å²	92	92.4 Å²	92.4	56%	0.564	53%	0.528	S	S	*	.	H	α-helix	trans	-87.5	-15.4	178.2	45.9	0	0	0	0	113.5	F174 N175 E176	F174-T178 HydrophobicContact CE1-CG2 4.43Å; F174-T178 HydrophobicContact CZ-CG2 4.5Å; F174-T178 WeakPolarHBondContact O-CG2 3.35Å; F174-T178 PolarHBondContact O-N 2.88Å; F174-T178 PolarHBondContact O-OG1 3.37Å; N175-T178 WeakPolarHBondContact CA-OG1 2.98Å; N175-T178 PolarHBondContact O-N 2.76Å; N175-T178 PolarHBondContact O-OG1 2.86Å; E176-T178 PolarHBondContact O-N 3.47Å
179	T	57.6	Low	56.1	Low	106 Å²	106	95.7 Å²	95.7	65%	0.65	55%	0.549	S	S	*	.	H	α-helix	trans	-98.4	-30.4	-179.9	39	0	0	0	0	113.1	N175 E176	N175-T179 PolarHBondContact O-N 3.41Å; N175-T179 PolarHBondContact O-OG1 3Å; E176-T179 PolarHBondContact O-N 3.15Å; E176-T179 VanDerWaalsContact O-N 3.11Å; E176-T179 PolarHBondContact O-OG1 3.32Å; E176-T179 VanDerWaalsContact O-OG1 3.13Å
180	D	43.4	Very low	54.5	Low	103 Å²	103	103 Å²	103	55%	0.551	59%	0.587	S	S	*	*			trans	-108.2	96.6	174.8	-84.2	-26.4	0	0	0	111.9	E176 S182 A183	E176-D180 PolarHBondContact O-N 3.06Å; E176-D180 VanDerWaalsContact O-N 3.12Å; D180-S182 PolarHBondContact O-N 2.85Å; D180-S182 VanDerWaalsContact O-N 3.14Å; D180-A183 HydrophobicContact CB-CB 4.08Å
181	S	46.7	Very low	53.7	Low	132 Å²	132	109.8 Å²	109.8	92%	0.923	62%	0.615	S	S	*	*	S	Bend	trans	-74.9	13.6	165.8	36.1	0	0	0	0	113
182	S	38.3	Very low	53.2	Low	104 Å²	104	114.8 Å²	114.8	73%	0.727	63%	0.634	S	S	*	*	S	Bend	trans	-146.4	63.4	179.2	62.2	0	0	0	0	111.7	D180	D180-S182 PolarHBondContact O-N 2.85Å; D180-S182 VanDerWaalsContact O-N 3.14Å
183	A	35.7	Very low	53.6	Low	72 Å²	72	119 Å²	119	60%	0.595	64%	0.644	S	S	*	*			trans	-141.9	101.6	171.4	0	0	0	0	0	112.7	D180	D180-A183 HydrophobicContact CB-CB 4.08Å
184	N	33.3	Very low	54.3	Low	141 Å²	141	115.1 Å²	115.1	75%	0.754	63%	0.626	S	S	*	*			trans	19.7	118.8	152.6	-85.5	-28.7	0	0	0	120.3	N186	N184-N186 PolarHBondContact O-N 3.44Å
185	E	37.9	Very low	55	Low	184 Å²	184	116.1 Å²	116.1	86%	0.86	63%	0.633	S	S	*	*	S	Bend	trans	-60.3	14.1	164.4	-71.4	180	145.7	0	0	115.7
186	N	33.3	Very low	55.9	Low	139 Å²	139	113.3 Å²	113.3	74%	0.743	62%	0.618	S	S	*	*			trans	-103.9	27.4	-168.9	-76.6	-23.3	0	0	0	115.3	N184	N184-N186 PolarHBondContact O-N 3.44Å
187	N	35.5	Very low	57.1	Low	157 Å²	157	110.9 Å²	110.9	84%	0.84	61%	0.606	S	S	*	*			trans	-125.4	29.7	172.9	-135.9	2.7	0	0	0	114.2	N189	N187-N189 PolarHBondContact O-N 2.67Å
188	T	34.4	Very low	58.7	Low	115 Å²	115	107.2 Å²	107.2	71%	0.706	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	95.6	167.8	57.8	0	0	0	0	108.5
189	N	40.1	Very low	60.5	Low	159 Å²	159	103.5 Å²	103.5	85%	0.85	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.2	-3.8	145.3	-89.8	-20.2	0	0	0	116.6	N187 K191	N187-N189 PolarHBondContact O-N 2.67Å; N189-K191 PolarHBondContact O-N 3.03Å
190	N	44.6	Very low	62.4	Low	162 Å²	162	98.5 Å²	98.5	87%	0.866	52%	0.522	S	S	*	.			trans	-95.2	83.4	164.9	-101.2	-6.4	0	0	0	109.4	R192	N190-R192 PolarHBondContact O-N 3.14Å
191	K	62.6	Low	64.9	Low	158 Å²	158	95.1 Å²	95.1	69%	0.687	50%	0.502	S	S	*	.			trans	-64.3	100	174.5	-152.4	177.6	-172.6	-175.4	0	107.8	N189 R193	N189-K191 PolarHBondContact O-N 3.03Å; K191-R193 PolarHBondContact O-N 3.05Å
192	R	74.7	Confident	67.2	Low	121 Å²	121	90.1 Å²	90.1	46%	0.457	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-55.6	137.6	-176.5	-175.4	174	-172.4	153.5	5.1	109.8	G169 E173 N190 V194	G169-R192 VanDerWaalsContact CA-NH1 3.33Å; G169-R192 PolarHBondContact O-NH1 3.24Å; E173-R192 WeakPolarHBondContact OE1-CD 3.36Å; E173-R192 IonicContact OE1-CZ 2.64Å; E173-R192 IonicContact OE1-NE 2.68Å; E173-R192 IonicContact OE1-NH1 3.08Å; E173-R192 PolarHBondContact OE1-NH1 3.15Å; N190-R192 PolarHBondContact O-N 3.14Å; R192-V194 PolarHBondContact O-N 3.26Å
193	R	86.8	Confident	70	Confident	164 Å²	164	87.4 Å²	87.4	62%	0.619	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-70.3	123.1	172.1	-73.2	-176.7	75	-164.5	2.2	109.1	D35 T37 K191	D35-R193 IonicContact OD2-CZ 3.98Å; D35-R193 IonicContact OD2-NE 2.74Å; D35-R193 PolarHBondContact OD2-NE 3Å; D35-R193 IonicContact OD2-NH2 3.22Å; D35-R193 PolarHBondContact OD2-NH2 3.3Å; T37-R193 VanDerWaalsContact OG1-CA 3.32Å; T37-R193 WeakPolarHBondContact OG1-CA 3.32Å; K191-R193 PolarHBondContact O-N 3.05Å
194	V	90	Very high	72.9	Confident	7 Å²	7	84 Å²	84	4%	0.042	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-97.7	125.1	170.5	-175.8	0	0	0	0	106.6	L36 T37 Y43 V165 L170 R192	L36-V194 WeakPolarHBondContact CA-O 3.27Å; L36-V194 HydrophobicContact CB-CB 4.28Å; L36-V194 HydrophobicContact CB-CG1 4.08Å; L36-V194 PolarHBondContact N-O 2.96Å; T37-V194 PolarHBondContact N-O 3.15Å; T37-V194 PolarHBondContact OG1-N 3.14Å; T37-V194 VanDerWaalsContact OG1-N 3.15Å; Y43-V194 HydrophobicContact CD1-CB 4.31Å; Y43-V194 HydrophobicContact CD1-CG1 4.2Å; Y43-V194 HydrophobicContact CD1-CG2 3.93Å; Y43-V194 HydrophobicContact CE1-CB 4.31Å; Y43-V194 HydrophobicContact CE1-CG2 3.95Å; Y43-V194 HydrophobicContact CG-CG2 4.32Å; V165-V194 HydrophobicContact CG1-CG1 4.01Å; L170-V194 HydrophobicContact CD1-CG1 4.14Å; L170-V194 HydrophobicContact CD1-CG2 4.18Å; L170-V194 HydrophobicContact CD2-CG2 4.39Å; R192-V194 PolarHBondContact O-N 3.26Å
195	L	92.9	Very high	75.8	Confident	53 Å²	53	81.6 Å²	81.6	28%	0.277	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	155.1	-179.1	-61.1	179.1	0	0	0	109.9	T33 I34 D166	T33-L195 HydrophobicContact CG2-CB 3.99Å; T33-L195 HydrophobicContact CG2-CD1 4.07Å; T33-L195 HydrophobicContact CG2-CD2 4.22Å; T33-L195 HydrophobicContact CG2-CG 4.32Å; I34-L195 CarbonylContact O-C 3.58Å; I34-L195 WeakPolarHBondContact O-CA 3.26Å; D166-L195 WeakPolarHBondContact CB-O 3.36Å; D166-L195 PolarHBondContact N-O 3.31Å
196	G	93.4	Very high	78.6	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.8	170.5	0	0	0	0	0	112.2	T33 I34 E164	T33-G196 CarbonylContact C-O 3.52Å; T33-G196 WeakPolarHBondContact CA-O 3.41Å; I34-G196 PolarHBondContact N-O 2.97Å; I34-G196 PolarHBondContact O-N 3.37Å; E164-G196 CarbonylContact O-C 3.46Å; E164-G196 WeakPolarHBondContact O-CA 3.42Å
197	H	94.8	Very high	81.6	Confident	83 Å²	83	69.6 Å²	69.6	38%	0.384	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.1	175	-63.1	-66.8	0	0	0	109.5	L163 E164 L199	L163-H197 WeakPolarHBondContact CA-O 3.28Å; E164-H197 HydrophobicContact CB-CB 4.38Å; E164-H197 PolarHBondContact N-O 3.07Å; E164-H197 PolarHBondContact O-N 2.95Å; H197-L199 WeakPolarHBondContact O-CD1 3.31Å
198	L	96.5	Very high	84.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.1	175.7	-179	70.5	0	0	0	109.5	T31 D32 I34 V68 L72 M161 L163 D200 R205	T31-L198 WeakPolarHBondContact CA-O 3.31Å; D32-L198 HydrophobicContact CB-CB 4.36Å; D32-L198 HydrophobicContact CB-CD2 4.49Å; D32-L198 PolarHBondContact O-N 3.48Å; I34-L198 HydrophobicContact CD1-CB 4.49Å; I34-L198 HydrophobicContact CG1-CB 4.06Å; V68-L198 HydrophobicContact CG1-CD1 3.64Å; L72-L198 HydrophobicContact CD1-CD1 4.11Å; L72-L198 HydrophobicContact CD1-CD2 4.29Å; L72-L198 HydrophobicContact CD2-CD2 4.39Å; M161-L198 HydrophobicContact CB-CD1 4.15Å; M161-L198 HydrophobicContact SD-CD1 4.34Å; L163-L198 HydrophobicContact CD1-CB 4.29Å; L163-L198 HydrophobicContact CD1-CD1 4.5Å; L198-D200 HydrophobicContact CD2-CB 4.45Å; L198-D200 HydrophobicContact CG-CB 4.44Å; L198-R205 HydrophobicContact CD2-CB 4.17Å; L198-R205 HydrophobicContact CD2-CG 4.33Å
199	L	97.3	Very high	87.3	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.073	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	110.5	168	-68.4	85	0	0	0	108.9	L29 M161 F162 E164 H197 Y201	L29-L199 HydrophobicContact CD1-CB 4.04Å; L29-L199 HydrophobicContact CD1-CG 4.44Å; M161-L199 WeakPolarHBondContact CA-O 3.31Å; F162-L199 HydrophobicContact CB-CB 4.33Å; F162-L199 PolarHBondContact N-O 2.95Å; F162-L199 PolarHBondContact O-N 3.19Å; E164-L199 HydrophobicContact CB-CD1 4.46Å; H197-L199 WeakPolarHBondContact O-CD1 3.31Å; L199-Y201 HydrophobicContact CB-CE2 4.19Å; L199-Y201 WeakPolarHBondContact CD2-OH 3.34Å
200	D	97.1	Very high	89.8	Confident	1 Å²	1	61 Å²	61	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	108.7	178.2	-179.6	8.9	0	0	0	110.6	T30 M161 L198 F202 N203 G204 R205	T30-D200 PolarHBondContact N-O 3.18Å; T30-D200 VanDerWaalsContact N-O 3.15Å; T30-D200 PolarHBondContact O-N 3.3Å; T30-D200 WeakPolarHBondContact OG1-CB 3.29Å; T30-D200 PolarHBondContact OG1-O 2.89Å; M161-D200 HydrophobicContact CG-CB 4.08Å; M161-D200 HydrophobicContact SD-CB 4.48Å; L198-D200 HydrophobicContact CD2-CB 4.45Å; L198-D200 HydrophobicContact CG-CB 4.44Å; D200-F202 PolarHBondContact OD1-N 2.99Å; D200-F202 VanDerWaalsContact OD1-N 3.07Å; D200-N203 WeakPolarHBondContact OD1-CA 3.36Å; D200-N203 PolarHBondContact OD1-N 2.67Å; D200-N203 VanDerWaalsContact OD2-C 3.23Å; D200-N203 VanDerWaalsContact OD2-CA 3.29Å; D200-N203 WeakPolarHBondContact OD2-CA 3.32Å; D200-G204 VanDerWaalsContact CG-N 3.26Å; D200-G204 PolarHBondContact OD1-N 2.85Å; D200-G204 PolarHBondContact OD2-N 3.34Å; D200-R205 PolarHBondContact OD2-N 2.99Å
201	Y	96.4	Very high	92.2	Very high	32 Å²	32	56.4 Å²	56.4	13%	0.125	25%	0.249	C	C	.	.	S	Bend	trans	-90.7	-16.6	-179	-61	-79.9	0	0	0	113.1	L29 W147 K148 A151 F162 L199	L29-Y201 HydrophobicContact CB-CD1 4.35Å; L29-Y201 HydrophobicContact CB-CE1 4.32Å; L29-Y201 HydrophobicContact CD1-CD1 3.83Å; L29-Y201 HydrophobicContact CD1-CE1 3.66Å; L29-Y201 HydrophobicContact CD1-CE2 4.41Å; L29-Y201 HydrophobicContact CD1-CG 4.29Å; L29-Y201 HydrophobicContact CD2-CE1 4.16Å; L29-Y201 HydrophobicContact CG-CE1 4.25Å; W147-Y201 HydrophobicContact CB-CE2 4.08Å; W147-Y201 VanDerWaalsContact CB-OH 3.28Å; W147-Y201 WeakPolarHBondContact CB-OH 3.38Å; K148-Y201 HydrophobicContact CB-CD1 3.8Å; K148-Y201 HydrophobicContact CB-CE1 3.8Å; K148-Y201 HydrophobicContact CB-CG 4.21Å; K148-Y201 HydrophobicContact CD-CD1 4.19Å; K148-Y201 HydrophobicContact CG-CD1 3.82Å; K148-Y201 HydrophobicContact CG-CE1 4.33Å; K148-Y201 HydrophobicContact CG-CG 4.11Å; A151-Y201 HydrophobicContact CB-CD2 3.77Å; A151-Y201 HydrophobicContact CB-CG 4.45Å; F162-Y201 HydrophobicContact CD2-CE2 4.05Å; F162-Y201 HydrophobicContact CE2-CD2 4.48Å; F162-Y201 HydrophobicContact CE2-CE2 4.16Å; L199-Y201 HydrophobicContact CB-CE2 4.19Å; L199-Y201 WeakPolarHBondContact CD2-OH 3.34Å
202	F	96.3	Very high	93.7	Very high	26 Å²	26	52.3 Å²	52.3	11%	0.114	23%	0.23	C	C	.	.	S	Bend	trans	-128.5	13.7	-167.1	-64.4	-65.4	0	0	0	114.2	K148 A151 E152 T157 D200 G204 V216	K148-F202 HydrophobicContact CG-CZ 4.46Å; A151-F202 HydrophobicContact CB-CD2 3.98Å; A151-F202 HydrophobicContact CB-CE2 3.59Å; E152-F202 HydrophobicContact CB-CZ 4.33Å; E152-F202 HydrophobicContact CG-CE1 4.13Å; E152-F202 HydrophobicContact CG-CE2 3.76Å; E152-F202 HydrophobicContact CG-CZ 3.2Å; T157-F202 HydrophobicContact CG2-CB 4.02Å; D200-F202 PolarHBondContact OD1-N 2.99Å; D200-F202 VanDerWaalsContact OD1-N 3.07Å; F202-G204 VanDerWaalsContact C-N 3.28Å; F202-V216 HydrophobicContact CB-CG2 4.43Å; F202-V216 HydrophobicContact CD1-CG1 3.85Å; F202-V216 HydrophobicContact CD2-CG1 3.67Å; F202-V216 HydrophobicContact CD2-CG2 4.23Å; F202-V216 HydrophobicContact CE1-CG1 3.98Å; F202-V216 HydrophobicContact CE2-CG1 3.79Å; F202-V216 HydrophobicContact CG-CG1 3.75Å; F202-V216 HydrophobicContact CG-CG2 4.3Å; F202-V216 HydrophobicContact CZ-CG1 4Å
203	N	95.4	Very high	94.7	Very high	47 Å²	47	47 Å²	47	25%	0.251	21%	0.21	S	C	.	.			trans	63.6	33.6	-179.2	-148.9	33.8	0	0	0	113.2	D200 R205 D206 D207	D200-N203 WeakPolarHBondContact OD1-CA 3.36Å; D200-N203 PolarHBondContact OD1-N 2.67Å; D200-N203 VanDerWaalsContact OD2-C 3.23Å; D200-N203 VanDerWaalsContact OD2-CA 3.29Å; D200-N203 WeakPolarHBondContact OD2-CA 3.32Å; N203-R205 VanDerWaalsContact C-N 3.28Å; N203-R205 PolarHBondContact O-N 3.39Å; N203-D206 VanDerWaalsContact ND2-CB 3.28Å; N203-D206 WeakPolarHBondContact ND2-CB 3.47Å; N203-D206 PolarHBondContact ND2-OD2 3.19Å; N203-D206 PolarHBondContact O-N 3.22Å; N203-D206 WeakPolarHBondContact OD1-CB 3.27Å; N203-D206 PolarHBondContact OD1-OD2 3.33Å; N203-D206 VanDerWaalsContact OD1-OD2 3.05Å; N203-D207 PolarHBondContact O-N 2.72Å
204	G	96.7	Very high	95.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-33.9	176.6	0	0	0	0	0	113	T157 D200 F202 D207 L208	T157-G204 WeakPolarHBondContact O-CA 3.32Å; D200-G204 VanDerWaalsContact CG-N 3.26Å; D200-G204 PolarHBondContact OD1-N 2.85Å; D200-G204 PolarHBondContact OD2-N 3.34Å; F202-G204 VanDerWaalsContact C-N 3.28Å; G204-D207 PolarHBondContact O-N 3.12Å; G204-L208 WeakPolarHBondContact O-CB 3.45Å; G204-L208 PolarHBondContact O-N 3.22Å
205	R	95.8	Very high	95.5	Very high	92 Å²	92	44 Å²	44	35%	0.347	20%	0.198	S	C	.	.	H	α-helix	trans	-64.9	-46	178.1	-175.8	180	-173.2	-174.9	4.3	111.7	D32 M161 L198 D200 N203 L208 K209	D32-R205 IonicContact OD1-NH1 2.59Å; D32-R205 IonicContact OD2-CZ 3.83Å; D32-R205 IonicContact OD2-NH1 2.9Å; D32-R205 PolarHBondContact OD2-NH1 3Å; M161-R205 HydrophobicContact SD-CB 4.31Å; M161-R205 PolarHBondContact SD-N 3.44Å; M161-R205 VanDerWaalsContact SD-N 3.42Å; L198-R205 HydrophobicContact CD2-CB 4.17Å; L198-R205 HydrophobicContact CD2-CG 4.33Å; D200-R205 PolarHBondContact OD2-N 2.99Å; N203-R205 VanDerWaalsContact C-N 3.28Å; N203-R205 PolarHBondContact O-N 3.39Å; R205-L208 PolarHBondContact O-N 2.97Å; R205-K209 WeakPolarHBondContact O-CB 3.42Å; R205-K209 PolarHBondContact O-N 3.3Å
206	D	95.5	Very high	95.6	Very high	70 Å²	70	41.6 Å²	41.6	37%	0.374	19%	0.186	S	C	.	.	H	α-helix	trans	-68.5	-41.5	177.6	-86.5	-10.6	0	0	0	111.8	N203 L208 K209 N210 R212	N203-D206 VanDerWaalsContact ND2-CB 3.28Å; N203-D206 WeakPolarHBondContact ND2-CB 3.47Å; N203-D206 PolarHBondContact ND2-OD2 3.19Å; N203-D206 PolarHBondContact O-N 3.22Å; N203-D206 WeakPolarHBondContact OD1-CB 3.27Å; N203-D206 PolarHBondContact OD1-OD2 3.33Å; N203-D206 VanDerWaalsContact OD1-OD2 3.05Å; D206-L208 VanDerWaalsContact C-N 3.28Å; D206-L208 PolarHBondContact O-N 2.98Å; D206-K209 PolarHBondContact O-N 3.41Å; D206-N210 WeakPolarHBondContact O-CB 3.34Å; D206-N210 PolarHBondContact O-N 3.22Å; D206-N210 PolarHBondContact O-ND2 3.45Å; D206-R212 PolarHBondContact O-NH2 2.89Å
207	D	96	Very high	95.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-41.8	175.3	-76.9	-20.4	0	0	0	110.8	T157 V158 N203 G204 N210 H211 R212 R214	T157-D207 WeakPolarHBondContact CB-OD2 3.45Å; T157-D207 PolarHBondContact OG1-OD2 2.88Å; V158-D207 HydrophobicContact CG1-CB 4.07Å; N203-D207 PolarHBondContact O-N 2.72Å; G204-D207 PolarHBondContact O-N 3.12Å; D207-N210 CarbonylContact O-C 3.57Å; D207-N210 PolarHBondContact O-N 2.91Å; D207-H211 PolarHBondContact O-N 3.45Å; D207-R212 HydrophobicContact CB-CB 4.21Å; D207-R212 PolarHBondContact O-N 2.89Å; D207-R212 IonicContact OD1-CZ 2.69Å; D207-R212 VanDerWaalsContact OD1-CZ 3.29Å; D207-R212 IonicContact OD1-NE 3.57Å; D207-R212 PolarHBondContact OD1-NE 2.98Å; D207-R212 IonicContact OD1-NH2 3.91Å; D207-R212 PolarHBondContact OD1-NH2 3.36Å; D207-R214 IonicContact OD1-CZ 2.74Å; D207-R214 IonicContact OD1-NE 3.71Å; D207-R214 IonicContact OD1-NH1 3.14Å; D207-R214 PolarHBondContact OD1-NH1 2.92Å; D207-R214 WeakPolarHBondContact OD2-CD 3.34Å
208	L	95.6	Very high	95.7	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-48.6	174.7	-174.8	62.6	0	0	0	112	R69 L72 L73 V158 G204 R205 D206 N210 H211 L240	R69-L208 HydrophobicContact CG-CD1 3.7Å; R69-L208 HydrophobicContact CG-CD2 3.97Å; R69-L208 HydrophobicContact CG-CG 4.49Å; L72-L208 HydrophobicContact CB-CD2 3.6Å; L72-L208 HydrophobicContact CD1-CD2 4.14Å; L73-L208 HydrophobicContact CD1-CD1 4.13Å; L73-L208 HydrophobicContact CD2-CD1 3.87Å; L73-L208 HydrophobicContact CD2-CD2 4.37Å; L73-L208 HydrophobicContact CD2-CG 4.05Å; L73-L208 HydrophobicContact CG-CD1 4.03Å; L73-L208 HydrophobicContact CG-CD2 4.19Å; L73-L208 HydrophobicContact CG-CG 4.33Å; V158-L208 HydrophobicContact CG1-CB 4.02Å; V158-L208 HydrophobicContact CG1-CD1 4.41Å; G204-L208 WeakPolarHBondContact O-CB 3.45Å; G204-L208 PolarHBondContact O-N 3.22Å; R205-L208 PolarHBondContact O-N 2.97Å; D206-L208 VanDerWaalsContact C-N 3.28Å; D206-L208 PolarHBondContact O-N 2.98Å; L208-N210 PolarHBondContact O-N 3.01Å; L208-H211 PolarHBondContact O-N 3.22Å; L208-H211 VanDerWaalsContact O-N 3.15Å; L208-L240 HydrophobicContact CD1-CD1 3.98Å; L208-L240 HydrophobicContact CD1-CD2 3.83Å
209	K	94.1	Very high	95.7	Very high	162 Å²	162	46 Å²	46	70%	0.704	23%	0.228	S	C	*	.	H	α-helix	trans	-58.9	-31.5	178.1	-176.9	-178.6	177.7	-175.9	0	112.9	R205 D206	R205-K209 WeakPolarHBondContact O-CB 3.42Å; R205-K209 PolarHBondContact O-N 3.3Å; D206-K209 PolarHBondContact O-N 3.41Å
210	N	94	Very high	95.7	Very high	81 Å²	81	47.4 Å²	47.4	43%	0.433	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	12.8	-177.9	-65	-71	0	0	0	113.2	D206 D207 L208 R212	D206-N210 WeakPolarHBondContact O-CB 3.34Å; D206-N210 PolarHBondContact O-N 3.22Å; D206-N210 PolarHBondContact O-ND2 3.45Å; D207-N210 CarbonylContact O-C 3.57Å; D207-N210 PolarHBondContact O-N 2.91Å; L208-N210 PolarHBondContact O-N 3.01Å; N210-R212 HydrophobicContact CB-CG 4.1Å; N210-R212 PolarHBondContact ND2-NH1 3.04Å; N210-R212 PolarHBondContact ND2-NH2 3.49Å; N210-R212 PolarHBondContact O-N 3.03Å; N210-R212 VanDerWaalsContact O-N 3.16Å
211	H	93.7	Very high	95.5	Very high	64 Å²	64	49.4 Å²	49.4	30%	0.296	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	33.1	179.6	-51.2	-76.9	0	0	0	113.8	D207 L208 L240 T245	D207-H211 PolarHBondContact O-N 3.45Å; L208-H211 PolarHBondContact O-N 3.22Å; L208-H211 VanDerWaalsContact O-N 3.15Å; H211-L240 PolarHBondContact ND1-O 3.44Å; H211-T245 HydrophobicContact CB-CG2 4.46Å
212	R	93.9	Very high	95.4	Very high	73 Å²	73	48.5 Å²	48.5	28%	0.275	25%	0.249	S	C	.	.			trans	-95.8	130.8	-179.5	-64.4	-169.3	-59.7	-97.5	-6.5	111.1	D206 D207 N210	D206-R212 PolarHBondContact O-NH2 2.89Å; D207-R212 HydrophobicContact CB-CB 4.21Å; D207-R212 PolarHBondContact O-N 2.89Å; D207-R212 IonicContact OD1-CZ 2.69Å; D207-R212 VanDerWaalsContact OD1-CZ 3.29Å; D207-R212 IonicContact OD1-NE 3.57Å; D207-R212 PolarHBondContact OD1-NE 2.98Å; D207-R212 IonicContact OD1-NH2 3.91Å; D207-R212 PolarHBondContact OD1-NH2 3.36Å; N210-R212 HydrophobicContact CB-CG 4.1Å; N210-R212 PolarHBondContact ND2-NH1 3.04Å; N210-R212 PolarHBondContact ND2-NH2 3.49Å; N210-R212 PolarHBondContact O-N 3.03Å; N210-R212 VanDerWaalsContact O-N 3.16Å
213	I	96	Very high	95.4	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.041	24%	0.244	C	C	.	.			trans	-100.7	106.8	172.8	-49.7	-53.7	0	0	0	108.7	L156 Y233 F236 H237 L240	L156-I213 HydrophobicContact CD1-CG2 3.93Å; L156-I213 HydrophobicContact CD2-CG2 3.87Å; I213-Y233 HydrophobicContact CB-CD2 4.07Å; I213-Y233 HydrophobicContact CB-CE2 3.83Å; I213-Y233 HydrophobicContact CG2-CD2 3.51Å; I213-Y233 HydrophobicContact CG2-CE2 3.83Å; I213-Y233 HydrophobicContact CG2-CG 4.37Å; I213-F236 HydrophobicContact CD1-CB 4.14Å; I213-F236 WeakPolarHBondContact CD1-O 3.34Å; I213-F236 HydrophobicContact CG2-CB 4.43Å; I213-H237 HydrophobicContact CG1-CB 3.9Å; I213-L240 HydrophobicContact CD1-CB 4.1Å; I213-L240 HydrophobicContact CD1-CD1 3.65Å; I213-L240 HydrophobicContact CD1-CG 4.31Å
214	R	96.4	Very high	95.3	Very high	95 Å²	95	50.1 Å²	50.1	36%	0.358	25%	0.254	S	S	.	.			trans	-124.5	141.6	179.1	-70.9	-176.4	173.2	157.9	-9.2	111.3	L156 T157 D207	L156-R214 CarbonylContact C-O 3.49Å; L156-R214 VanDerWaalsContact CA-O 3.24Å; L156-R214 WeakPolarHBondContact CA-O 3.28Å; L156-R214 WeakPolarHBondContact CD2-O 3.31Å; T157-R214 HydrophobicContact CG2-CB 3.98Å; T157-R214 PolarHBondContact N-O 2.89Å; D207-R214 IonicContact OD1-CZ 2.74Å; D207-R214 IonicContact OD1-NE 3.71Å; D207-R214 IonicContact OD1-NH1 3.14Å; D207-R214 PolarHBondContact OD1-NH1 2.92Å; D207-R214 WeakPolarHBondContact OD2-CD 3.34Å
215	F	97.5	Very high	95	Very high	13 Å²	13	52.8 Å²	52.8	6%	0.057	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-71.9	149.1	170.7	-73.3	-83.2	0	0	0	110.8	D155 L156 G217 P219 R222 I223 R229 Y233 V253	D155-F215 VanDerWaalsContact O-CA 3.31Å; D155-F215 WeakPolarHBondContact O-CA 3.25Å; D155-F215 WeakPolarHBondContact O-CD1 3.42Å; L156-F215 HydrophobicContact CD2-CD1 3.96Å; L156-F215 HydrophobicContact CD2-CE1 4.04Å; L156-F215 HydrophobicContact CD2-CG 4.21Å; L156-F215 HydrophobicContact CD2-CZ 4.39Å; F215-G217 PolarHBondContact O-N 3.08Å; F215-P219 HydrophobicContact CB-CB 4.3Å; F215-P219 HydrophobicContact CB-CG 4.24Å; F215-P219 HydrophobicContact CD2-CB 3.66Å; F215-P219 HydrophobicContact CD2-CG 4.15Å; F215-P219 HydrophobicContact CE2-CB 4.32Å; F215-P219 HydrophobicContact CG-CB 4.15Å; F215-R222 HydrophobicContact CB-CB 4.48Å; F215-R222 HydrophobicContact CB-CG 4.11Å; F215-R222 HydrophobicContact CD1-CB 3.71Å; F215-R222 HydrophobicContact CD1-CG 4.13Å; F215-R222 HydrophobicContact CE1-CB 4.31Å; F215-R222 HydrophobicContact CG-CB 4.31Å; F215-R222 HydrophobicContact CG-CG 4.46Å; F215-I223 HydrophobicContact CE1-CG1 4.35Å; F215-I223 HydrophobicContact CE2-CD1 4.24Å; F215-I223 HydrophobicContact CE2-CG1 4.49Å; F215-I223 HydrophobicContact CZ-CD1 4.13Å; F215-I223 HydrophobicContact CZ-CG1 3.95Å; F215-R229 HydrophobicContact CE1-CB 4.03Å; F215-Y233 HydrophobicContact CE2-CD2 4.19Å; F215-V253 HydrophobicContact CD2-CG1 4.3Å; F215-V253 HydrophobicContact CE2-CG1 3.92Å
216	V	96	Very high	94.8	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.018	26%	0.258	C	S	.	.	S	Bend	trans	-76.3	118.6	165.3	179.9	0	0	0	0	107.9	R154 D155 T157 F202 R222	R154-V216 WeakPolarHBondContact O-CB 3.27Å; D155-V216 PolarHBondContact O-N 2.97Å; T157-V216 HydrophobicContact CG2-CG2 4.28Å; F202-V216 HydrophobicContact CB-CG2 4.43Å; F202-V216 HydrophobicContact CD1-CG1 3.85Å; F202-V216 HydrophobicContact CD2-CG1 3.67Å; F202-V216 HydrophobicContact CD2-CG2 4.23Å; F202-V216 HydrophobicContact CE1-CG1 3.98Å; F202-V216 HydrophobicContact CE2-CG1 3.79Å; F202-V216 HydrophobicContact CG-CG1 3.75Å; F202-V216 HydrophobicContact CG-CG2 4.3Å; F202-V216 HydrophobicContact CZ-CG1 4Å; V216-R222 WeakPolarHBondContact O-CD 3.31Å; V216-R222 WeakPolarHBondContact O-CG 3.43Å; V216-R222 PolarHBondContact O-NH1 2.97Å
217	G	93.8	Very high	94.9	Very high	61 Å²	61	48.7 Å²	48.7	63%	0.629	25%	0.248	S	C	*	.	S	Bend	trans	78.8	-148.2	-176.1	0	0	0	0	0	113.3	F215	F215-G217 PolarHBondContact O-N 3.08Å
218	D	95	Very high	94.9	Very high	89 Å²	89	49 Å²	49	48%	0.476	25%	0.25	S	S	.	.			trans	-79.3	120.9	-177.8	177	-101.8	0	0	0	112	D220 A221 R222	D218-D220 VanDerWaalsContact C-N 3.32Å; D218-D220 PolarHBondContact O-N 3.48Å; D218-D220 WeakPolarHBondContact OD1-CB 3.4Å; D218-D220 PolarHBondContact OD1-N 3.37Å; D218-D220 VanDerWaalsContact OD1-N 3.17Å; D218-A221 HydrophobicContact CB-CB 4.15Å; D218-A221 PolarHBondContact O-N 3.13Å; D218-A221 WeakPolarHBondContact OD1-CB 3.49Å; D218-A221 PolarHBondContact OD1-N 3.29Å; D218-R222 WeakPolarHBondContact O-CG 3.42Å; D218-R222 PolarHBondContact O-N 3.18Å
219	P	96.6	Very high	94.9	Very high	25 Å²	25	49.8 Å²	49.8	16%	0.162	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-37.1	-177.5	-25.6	33.8	0	0	0	114.8	F215 R222 I223 V253 I256	F215-P219 HydrophobicContact CB-CB 4.3Å; F215-P219 HydrophobicContact CB-CG 4.24Å; F215-P219 HydrophobicContact CD2-CB 3.66Å; F215-P219 HydrophobicContact CD2-CG 4.15Å; F215-P219 HydrophobicContact CE2-CB 4.32Å; F215-P219 HydrophobicContact CG-CB 4.15Å; P219-R222 PolarHBondContact O-N 3.48Å; P219-I223 WeakPolarHBondContact O-CB 3.32Å; P219-I223 WeakPolarHBondContact O-CG1 3.25Å; P219-I223 PolarHBondContact O-N 3.42Å; P219-V253 HydrophobicContact CG-CG2 4.29Å; P219-I256 HydrophobicContact CB-CD1 3.96Å; P219-I256 HydrophobicContact CB-CG2 4.42Å; P219-I256 HydrophobicContact CG-CD1 4.29Å
220	D	96.9	Very high	95.1	Very high	44 Å²	44	42.1 Å²	42.1	24%	0.235	22%	0.219	C	C	.	.	H	α-helix	trans	-69.2	-46.6	-177.4	-179.6	67.2	0	0	0	110.8	D218 R222 I223 K224 I256 N260	D218-D220 VanDerWaalsContact C-N 3.32Å; D218-D220 PolarHBondContact O-N 3.48Å; D218-D220 WeakPolarHBondContact OD1-CB 3.4Å; D218-D220 PolarHBondContact OD1-N 3.37Å; D218-D220 VanDerWaalsContact OD1-N 3.17Å; D220-R222 VanDerWaalsContact C-N 3.32Å; D220-R222 PolarHBondContact O-N 3.29Å; D220-I223 PolarHBondContact O-N 3.06Å; D220-K224 VanDerWaalsContact CG-NZ 3.35Å; D220-K224 WeakPolarHBondContact O-CG 3.49Å; D220-K224 PolarHBondContact O-N 3.34Å; D220-K224 VanDerWaalsContact OD1-CE 3.3Å; D220-K224 WeakPolarHBondContact OD1-CE 3.38Å; D220-K224 IonicContact OD1-NZ 2.83Å; D220-K224 PolarHBondContact OD1-NZ 3.08Å; D220-K224 WeakPolarHBondContact OD2-CE 3.4Å; D220-K224 IonicContact OD2-NZ 3.77Å; D220-K224 PolarHBondContact OD2-NZ 2.9Å; D220-I256 HydrophobicContact CB-CG2 3.69Å; D220-N260 PolarHBondContact OD1-ND2 3.09Å
221	A	94.2	Very high	95.3	Very high	44 Å²	44	38.2 Å²	38.2	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-57.7	-45.9	171.7	0	0	0	0	0	111.2	D218 I223 K224 E225	D218-A221 HydrophobicContact CB-CB 4.15Å; D218-A221 PolarHBondContact O-N 3.13Å; D218-A221 WeakPolarHBondContact OD1-CB 3.49Å; D218-A221 PolarHBondContact OD1-N 3.29Å; A221-I223 VanDerWaalsContact C-N 3.35Å; A221-I223 PolarHBondContact O-N 3.15Å; A221-K224 PolarHBondContact O-N 3.07Å; A221-E225 WeakPolarHBondContact O-CG 3.42Å; A221-E225 PolarHBondContact O-N 2.9Å; A221-E225 VanDerWaalsContact O-N 3.12Å
222	R	93.7	Very high	95.5	Very high	13 Å²	13	38.1 Å²	38.1	5%	0.049	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-42.1	179.9	-61	-23.1	-67.4	-70.2	-5	111.4	E152 R153 R154 F215 V216 D218 P219 D220 K224 E225 R229	E152-R222 PolarHBondContact O-NH1 2.97Å; R153-R222 PolarHBondContact O-NH2 3.4Å; R154-R222 PolarHBondContact O-NH1 2.8Å; R154-R222 PolarHBondContact O-NH2 3.12Å; F215-R222 HydrophobicContact CB-CB 4.48Å; F215-R222 HydrophobicContact CB-CG 4.11Å; F215-R222 HydrophobicContact CD1-CB 3.71Å; F215-R222 HydrophobicContact CD1-CG 4.13Å; F215-R222 HydrophobicContact CE1-CB 4.31Å; F215-R222 HydrophobicContact CG-CB 4.31Å; F215-R222 HydrophobicContact CG-CG 4.46Å; V216-R222 WeakPolarHBondContact O-CD 3.31Å; V216-R222 WeakPolarHBondContact O-CG 3.43Å; V216-R222 PolarHBondContact O-NH1 2.97Å; D218-R222 WeakPolarHBondContact O-CG 3.42Å; D218-R222 PolarHBondContact O-N 3.18Å; P219-R222 PolarHBondContact O-N 3.48Å; D220-R222 VanDerWaalsContact C-N 3.32Å; D220-R222 PolarHBondContact O-N 3.29Å; R222-K224 VanDerWaalsContact C-N 3.34Å; R222-E225 IonicContact CZ-OE1 2.82Å; R222-E225 IonicContact CZ-OE2 3.81Å; R222-E225 IonicContact NE-OE1 3.76Å; R222-E225 PolarHBondContact NE-OE1 3.47Å; R222-E225 IonicContact NE-OE2 2.65Å; R222-E225 PolarHBondContact NE-OE2 3.04Å; R222-E225 VanDerWaalsContact NE-OE2 3.14Å; R222-E225 IonicContact NH2-OE1 3Å; R222-E225 IonicContact NH2-OE2 2.65Å; R222-E225 PolarHBondContact NH2-OE2 2.96Å; R222-E225 PolarHBondContact O-N 2.89Å; R222-R229 VanDerWaalsContact CA-NH1 3.28Å; R222-R229 WeakPolarHBondContact O-CD 3.5Å; R222-R229 PolarHBondContact O-NH1 3.32Å
223	I	95.5	Very high	95.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-37.9	179.2	-75.6	164.2	0	0	0	111.3	F215 P219 D220 A221 E225 D226 Y227 I230 I256 I257 N260	F215-I223 HydrophobicContact CE1-CG1 4.35Å; F215-I223 HydrophobicContact CE2-CD1 4.24Å; F215-I223 HydrophobicContact CE2-CG1 4.49Å; F215-I223 HydrophobicContact CZ-CD1 4.13Å; F215-I223 HydrophobicContact CZ-CG1 3.95Å; P219-I223 WeakPolarHBondContact O-CB 3.32Å; P219-I223 WeakPolarHBondContact O-CG1 3.25Å; P219-I223 PolarHBondContact O-N 3.42Å; D220-I223 PolarHBondContact O-N 3.06Å; A221-I223 VanDerWaalsContact C-N 3.35Å; A221-I223 PolarHBondContact O-N 3.15Å; I223-E225 VanDerWaalsContact C-N 3.34Å; I223-E225 PolarHBondContact O-N 2.9Å; I223-D226 CarbonylContact O-C 3.57Å; I223-D226 PolarHBondContact O-N 3.33Å; I223-Y227 HydrophobicContact CG2-CD1 3.8Å; I223-Y227 HydrophobicContact CG2-CE1 4.24Å; I223-Y227 WeakPolarHBondContact O-CA 3.46Å; I223-Y227 PolarHBondContact O-N 3.47Å; I223-Y227 VanDerWaalsContact O-N 3.07Å; I223-I230 HydrophobicContact CD1-CG1 4.29Å; I223-I230 HydrophobicContact CG1-CG1 4.24Å; I223-I230 HydrophobicContact CG2-CD1 3.83Å; I223-I230 HydrophobicContact CG2-CG1 3.74Å; I223-I256 HydrophobicContact CD1-CG2 3.97Å; I223-I257 HydrophobicContact CD1-CG1 3.77Å; I223-N260 HydrophobicContact CG2-CB 3.59Å
224	K	94	Very high	95.8	Very high	106 Å²	106	34.4 Å²	34.4	46%	0.461	18%	0.181	S	C	.	.	H	α-helix	trans	-70	-26.3	179.5	-72.3	170.6	179.5	168.1	0	114	D220 A221 R222 Y227 N260	D220-K224 VanDerWaalsContact CG-NZ 3.35Å; D220-K224 WeakPolarHBondContact O-CG 3.49Å; D220-K224 PolarHBondContact O-N 3.34Å; D220-K224 VanDerWaalsContact OD1-CE 3.3Å; D220-K224 WeakPolarHBondContact OD1-CE 3.38Å; D220-K224 IonicContact OD1-NZ 2.83Å; D220-K224 PolarHBondContact OD1-NZ 3.08Å; D220-K224 WeakPolarHBondContact OD2-CE 3.4Å; D220-K224 IonicContact OD2-NZ 3.77Å; D220-K224 PolarHBondContact OD2-NZ 2.9Å; A221-K224 PolarHBondContact O-N 3.07Å; R222-K224 VanDerWaalsContact C-N 3.34Å; K224-Y227 HydrophobicContact CG-CE1 4.29Å; K224-N260 WeakPolarHBondContact CE-OD1 3.38Å
225	E	90.7	Very high	95.9	Very high	56 Å²	56	30.2 Å²	30.2	26%	0.262	17%	0.165	S	C	.	.	H	α-helix	trans	-63.8	-42.4	171.4	-72.1	165	-146.6	0	0	112.1	A221 R222 I223 R229	A221-E225 WeakPolarHBondContact O-CG 3.42Å; A221-E225 PolarHBondContact O-N 2.9Å; A221-E225 VanDerWaalsContact O-N 3.12Å; R222-E225 IonicContact CZ-OE1 2.82Å; R222-E225 IonicContact CZ-OE2 3.81Å; R222-E225 IonicContact NE-OE1 3.76Å; R222-E225 PolarHBondContact NE-OE1 3.47Å; R222-E225 IonicContact NE-OE2 2.65Å; R222-E225 PolarHBondContact NE-OE2 3.04Å; R222-E225 VanDerWaalsContact NE-OE2 3.14Å; R222-E225 IonicContact NH2-OE1 3Å; R222-E225 IonicContact NH2-OE2 2.65Å; R222-E225 PolarHBondContact NH2-OE2 2.96Å; R222-E225 PolarHBondContact O-N 2.89Å; I223-E225 VanDerWaalsContact C-N 3.34Å; I223-E225 PolarHBondContact O-N 2.9Å; E225-R229 IonicContact OE2-CZ 3.49Å; E225-R229 VanDerWaalsContact OE2-CZ 3.24Å; E225-R229 IonicContact OE2-NH1 3.29Å; E225-R229 PolarHBondContact OE2-NH1 3.07Å; E225-R229 IonicContact OE2-NH2 2.72Å; E225-R229 PolarHBondContact OE2-NH2 2.76Å
226	D	91.9	Very high	95.8	Very high	32 Å²	32	30 Å²	30	17%	0.171	16%	0.164	C	C	.	.			trans	-152.2	104.2	174.5	-177.3	-4	0	0	0	109.8	I223 L228 R229 I267 R271	I223-D226 CarbonylContact O-C 3.57Å; I223-D226 PolarHBondContact O-N 3.33Å; D226-L228 PolarHBondContact O-N 2.95Å; D226-L228 WeakPolarHBondContact OD1-CB 3.36Å; D226-L228 PolarHBondContact OD1-N 3.08Å; D226-R229 HydrophobicContact CB-CG 4.42Å; D226-R229 WeakPolarHBondContact O-CB 3.47Å; D226-R229 VanDerWaalsContact O-CG 3.32Å; D226-R229 WeakPolarHBondContact O-CG 2.88Å; D226-R229 PolarHBondContact O-N 3.33Å; D226-I267 WeakPolarHBondContact OD1-CD1 3.12Å; D226-R271 IonicContact OD1-NH2 2.77Å; D226-R271 IonicContact OD2-CZ 2.91Å; D226-R271 IonicContact OD2-NH1 3.24Å; D226-R271 IonicContact OD2-NH2 3.73Å; D226-R271 PolarHBondContact OD2-NH2 2.9Å
227	Y	96.6	Very high	95.9	Very high	45 Å²	45	30 Å²	30	18%	0.176	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.4	-179	-67	-72.5	0	0	0	113.6	I223 K224 R229 I230 N260 G263 L264 M266	I223-Y227 HydrophobicContact CG2-CD1 3.8Å; I223-Y227 HydrophobicContact CG2-CE1 4.24Å; I223-Y227 WeakPolarHBondContact O-CA 3.46Å; I223-Y227 PolarHBondContact O-N 3.47Å; I223-Y227 VanDerWaalsContact O-N 3.07Å; K224-Y227 HydrophobicContact CG-CE1 4.29Å; Y227-R229 PolarHBondContact O-N 3.14Å; Y227-R229 VanDerWaalsContact O-N 3.16Å; Y227-I230 HydrophobicContact CD1-CD1 4.43Å; Y227-I230 WeakPolarHBondContact O-CB 3.37Å; Y227-I230 PolarHBondContact O-N 2.63Å; Y227-I230 VanDerWaalsContact O-N 3.13Å; Y227-N260 HydrophobicContact CD1-CB 4.35Å; Y227-N260 HydrophobicContact CE1-CB 4.07Å; Y227-G263 WeakPolarHBondContact CD2-O 3.25Å; Y227-G263 VanDerWaalsContact CG-C 3.47Å; Y227-L264 VanDerWaalsContact O-CD2 3.3Å; Y227-L264 WeakPolarHBondContact O-CD2 3.46Å; Y227-M266 HydrophobicContact CD2-SD 4.45Å; Y227-M266 HydrophobicContact CE2-SD 3.99Å
228	L	96.4	Very high	96	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.042	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.3	172	-169.7	65.9	0	0	0	112.3	D226 I230 L231 R232 I267 R271 E275	D226-L228 PolarHBondContact O-N 2.95Å; D226-L228 WeakPolarHBondContact OD1-CB 3.36Å; D226-L228 PolarHBondContact OD1-N 3.08Å; L228-I230 PolarHBondContact O-N 2.86Å; L228-I230 VanDerWaalsContact O-N 3.17Å; L228-L231 HydrophobicContact CD1-CB 4.48Å; L228-L231 HydrophobicContact CD1-CD1 4.03Å; L228-L231 PolarHBondContact O-N 2.99Å; L228-R232 PolarHBondContact O-N 2.82Å; L228-R232 VanDerWaalsContact O-N 3.07Å; L228-I267 HydrophobicContact CB-CG2 4.27Å; L228-I267 HydrophobicContact CD1-CG2 4.05Å; L228-R271 HydrophobicContact CD1-CB 4.34Å; L228-R271 HydrophobicContact CD2-CB 4.09Å; L228-R271 VanDerWaalsContact CD2-NH2 3.27Å; L228-E275 HydrophobicContact CD1-CB 4.27Å; L228-E275 HydrophobicContact CD1-CG 3.65Å; L228-E275 HydrophobicContact CD2-CG 4.05Å; L228-E275 HydrophobicContact CG-CG 3.89Å
229	R	96.7	Very high	96	Very high	24 Å²	24	26.5 Å²	26.5	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-24	175.4	-73.5	170.7	179.9	179.8	6.4	113.4	D155 F215 R222 E225 D226 Y227 R232 Y233	D155-R229 HydrophobicContact CB-CG 4.28Å; F215-R229 HydrophobicContact CE1-CB 4.03Å; R222-R229 VanDerWaalsContact CA-NH1 3.28Å; R222-R229 WeakPolarHBondContact O-CD 3.5Å; R222-R229 PolarHBondContact O-NH1 3.32Å; E225-R229 IonicContact OE2-CZ 3.49Å; E225-R229 VanDerWaalsContact OE2-CZ 3.24Å; E225-R229 IonicContact OE2-NH1 3.29Å; E225-R229 PolarHBondContact OE2-NH1 3.07Å; E225-R229 IonicContact OE2-NH2 2.72Å; E225-R229 PolarHBondContact OE2-NH2 2.76Å; D226-R229 HydrophobicContact CB-CG 4.42Å; D226-R229 WeakPolarHBondContact O-CB 3.47Å; D226-R229 VanDerWaalsContact O-CG 3.32Å; D226-R229 WeakPolarHBondContact O-CG 2.88Å; D226-R229 PolarHBondContact O-N 3.33Å; Y227-R229 PolarHBondContact O-N 3.14Å; Y227-R229 VanDerWaalsContact O-N 3.16Å; R229-R232 PolarHBondContact O-N 3.18Å; R229-Y233 PolarHBondContact O-N 2.81Å
230	I	98.2	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.3	-53	169.2	-68.1	168.7	0	0	0	110.3	I223 Y227 L228 R232 Y233 F234 I257 N260 L264 L297	I223-I230 HydrophobicContact CD1-CG1 4.29Å; I223-I230 HydrophobicContact CG1-CG1 4.24Å; I223-I230 HydrophobicContact CG2-CD1 3.83Å; I223-I230 HydrophobicContact CG2-CG1 3.74Å; Y227-I230 HydrophobicContact CD1-CD1 4.43Å; Y227-I230 WeakPolarHBondContact O-CB 3.37Å; Y227-I230 PolarHBondContact O-N 2.63Å; Y227-I230 VanDerWaalsContact O-N 3.13Å; L228-I230 PolarHBondContact O-N 2.86Å; L228-I230 VanDerWaalsContact O-N 3.17Å; I230-R232 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 2.83Å; I230-Y233 WeakPolarHBondContact O-CB 3Å; I230-Y233 PolarHBondContact O-N 3.2Å; I230-F234 HydrophobicContact CG2-CE2 4.27Å; I230-F234 VanDerWaalsContact O-CD2 3.26Å; I230-F234 WeakPolarHBondContact O-CD2 3.45Å; I230-F234 PolarHBondContact O-N 2.59Å; I230-I257 HydrophobicContact CG1-CG1 4.42Å; I230-I257 HydrophobicContact CG1-CG2 4.34Å; I230-I257 HydrophobicContact CG2-CG2 3.6Å; I230-N260 HydrophobicContact CD1-CB 4.34Å; I230-L264 HydrophobicContact CB-CD2 4.36Å; I230-L264 HydrophobicContact CD1-CG 4.19Å; I230-L264 HydrophobicContact CG2-CD1 4.21Å; I230-L297 HydrophobicContact CG2-CD1 3.55Å; I230-L297 HydrophobicContact CG2-CD2 3.92Å; I230-L297 HydrophobicContact CG2-CG 4.42Å
231	L	98.4	Very high	95.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69	-33.2	179.3	-58.9	-176.6	0	0	0	111.6	L228 Y233 F234 R235 L264 C272 E275 I279 M292 L297 L301	L228-L231 HydrophobicContact CD1-CB 4.48Å; L228-L231 HydrophobicContact CD1-CD1 4.03Å; L228-L231 PolarHBondContact O-N 2.99Å; L231-Y233 VanDerWaalsContact C-N 3.31Å; L231-Y233 PolarHBondContact O-N 3.48Å; L231-F234 PolarHBondContact O-N 2.87Å; L231-R235 PolarHBondContact O-N 2.9Å; L231-L264 HydrophobicContact CD1-CD2 4.37Å; L231-L264 HydrophobicContact CD2-CD1 4.29Å; L231-L264 HydrophobicContact CG-CD2 4.06Å; L231-C272 HydrophobicContact CD1-CB 4.08Å; L231-E275 HydrophobicContact CB-CB 3.7Å; L231-E275 HydrophobicContact CB-CG 4.28Å; L231-E275 HydrophobicContact CD1-CB 4Å; L231-I279 HydrophobicContact CB-CD1 4.22Å; L231-I279 HydrophobicContact CD2-CD1 4.4Å; L231-M292 HydrophobicContact CD2-CE 4.1Å; L231-L297 HydrophobicContact CD2-CD1 4.32Å; L231-L301 HydrophobicContact CD1-CD2 4.11Å; L231-L301 HydrophobicContact CD2-CD1 4.07Å; L231-L301 HydrophobicContact CD2-CD2 4.48Å
232	R	97.7	Very high	95.9	Very high	62 Å²	62	24.3 Å²	24.3	23%	0.234	11%	0.109	C	C	.	.	H	α-helix	trans	-63.5	-37.8	175.7	-65.4	172.9	59.7	92.3	-4.9	111.8	D155 L228 R229 I230 R235 F236 E275	D155-R232 IonicContact OD1-NH2 2.92Å; D155-R232 IonicContact OD2-CZ 3.28Å; D155-R232 IonicContact OD2-NE 3.59Å; D155-R232 PolarHBondContact OD2-NE 2.74Å; D155-R232 IonicContact OD2-NH2 3.11Å; D155-R232 PolarHBondContact OD2-NH2 3.12Å; L228-R232 PolarHBondContact O-N 2.82Å; L228-R232 VanDerWaalsContact O-N 3.07Å; R229-R232 PolarHBondContact O-N 3.18Å; I230-R232 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 2.83Å; R232-R235 VanDerWaalsContact NH1-NH2 3.17Å; R232-R235 PolarHBondContact O-N 2.7Å; R232-F236 HydrophobicContact CB-CD2 4.29Å; R232-F236 HydrophobicContact CB-CE2 4.41Å; R232-F236 WeakPolarHBondContact O-CB 3.46Å; R232-F236 WeakPolarHBondContact O-CD2 3.49Å; R232-F236 PolarHBondContact O-N 2.76Å; R232-E275 HydrophobicContact CG-CG 4.37Å; R232-E275 WeakPolarHBondContact CG-OE1 3.16Å; R232-E275 IonicContact NH1-OE1 3.42Å
233	Y	98.1	Very high	95.9	Very high	3 Å²	3	31 Å²	31	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-54.5	-53.7	172.5	171	-91.6	0	0	0	110.8	I213 F215 R229 I230 L231 R235 F236 H237 H249 V253 L254 I257	I213-Y233 HydrophobicContact CB-CD2 4.07Å; I213-Y233 HydrophobicContact CB-CE2 3.83Å; I213-Y233 HydrophobicContact CG2-CD2 3.51Å; I213-Y233 HydrophobicContact CG2-CE2 3.83Å; I213-Y233 HydrophobicContact CG2-CG 4.37Å; F215-Y233 HydrophobicContact CE2-CD2 4.19Å; R229-Y233 PolarHBondContact O-N 2.81Å; I230-Y233 WeakPolarHBondContact O-CB 3Å; I230-Y233 PolarHBondContact O-N 3.2Å; L231-Y233 VanDerWaalsContact C-N 3.31Å; L231-Y233 PolarHBondContact O-N 3.48Å; Y233-R235 VanDerWaalsContact C-N 3.35Å; Y233-R235 PolarHBondContact O-N 3.32Å; Y233-F236 PolarHBondContact O-N 2.89Å; Y233-H237 WeakPolarHBondContact O-CB 3.46Å; Y233-H237 PolarHBondContact O-N 2.86Å; Y233-H249 AromaticContact CE1-ND1 3.49Å; Y233-H249 WeakPolarHBondContact CE1-ND1 3.45Å; Y233-H249 AromaticContact CZ-ND1 3.64Å; Y233-H249 PolarHBondContact OH-ND1 3.24Å; Y233-V253 HydrophobicContact CD2-CG1 4.06Å; Y233-V253 HydrophobicContact CE2-CG1 3.79Å; Y233-L254 HydrophobicContact CE1-CD2 3.96Å; Y233-I257 HydrophobicContact CD1-CD1 3.51Å; Y233-I257 HydrophobicContact CD2-CD1 4.47Å; Y233-I257 HydrophobicContact CE1-CD1 3.97Å; Y233-I257 HydrophobicContact CG-CD1 3.81Å
234	F	98.3	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-38.7	177.7	-70.6	-76.2	0	0	0	112.6	I230 L231 F236 H237 G238 L254 I257 I279 L288 R291 M292 L297	I230-F234 HydrophobicContact CG2-CE2 4.27Å; I230-F234 VanDerWaalsContact O-CD2 3.26Å; I230-F234 WeakPolarHBondContact O-CD2 3.45Å; I230-F234 PolarHBondContact O-N 2.59Å; L231-F234 PolarHBondContact O-N 2.87Å; F234-F236 PolarHBondContact O-N 3.49Å; F234-H237 PolarHBondContact O-N 3.48Å; F234-G238 PolarHBondContact O-N 2.93Å; F234-L254 HydrophobicContact CE1-CD2 4.34Å; F234-L254 HydrophobicContact CZ-CD2 4.08Å; F234-I257 HydrophobicContact CE2-CD1 4.26Å; F234-I257 HydrophobicContact CE2-CG2 4.17Å; F234-I279 HydrophobicContact CB-CD1 3.81Å; F234-I279 HydrophobicContact CB-CG1 4.17Å; F234-L288 HydrophobicContact CD1-CD2 4.1Å; F234-R291 HydrophobicContact CE1-CB 3.9Å; F234-M292 HydrophobicContact CB-CG 4.48Å; F234-M292 HydrophobicContact CB-SD 4.36Å; F234-M292 HydrophobicContact CD1-CG 3.67Å; F234-M292 HydrophobicContact CD2-CG 3.82Å; F234-M292 HydrophobicContact CE1-CG 3.76Å; F234-M292 HydrophobicContact CE2-CG 3.94Å; F234-M292 HydrophobicContact CG-CG 3.71Å; F234-M292 HydrophobicContact CG-SD 4.21Å; F234-M292 HydrophobicContact CZ-CG 3.89Å; F234-L297 HydrophobicContact CD2-CD1 4.01Å; F234-L297 HydrophobicContact CE2-CD1 3.51Å; F234-L297 HydrophobicContact CZ-CD1 4.28Å
235	R	97.7	Very high	95.9	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-48.4	176.5	-177.5	-170.5	66.4	-161.3	5	111.1	L231 R232 Y233 G238 R239 E275 R278 I279 Y282	L231-R235 PolarHBondContact O-N 2.9Å; R232-R235 VanDerWaalsContact NH1-NH2 3.17Å; R232-R235 PolarHBondContact O-N 2.7Å; Y233-R235 VanDerWaalsContact C-N 3.35Å; Y233-R235 PolarHBondContact O-N 3.32Å; R235-G238 PolarHBondContact O-N 3.09Å; R235-R239 WeakPolarHBondContact O-CB 3.32Å; R235-R239 PolarHBondContact O-N 3.01Å; R235-E275 WeakPolarHBondContact CD-OE2 3.44Å; R235-E275 IonicContact CZ-OE1 3.25Å; R235-E275 IonicContact CZ-OE2 3.72Å; R235-E275 VanDerWaalsContact CZ-OE2 3.25Å; R235-E275 IonicContact NE-OE2 3.56Å; R235-E275 PolarHBondContact NE-OE2 2.66Å; R235-E275 IonicContact NH1-OE1 2.69Å; R235-E275 PolarHBondContact NH1-OE1 2.69Å; R235-E275 IonicContact NH1-OE2 2.84Å; R235-E275 PolarHBondContact NH1-OE2 3.05Å; R235-R278 HydrophobicContact CG-CB 3.92Å; R235-I279 HydrophobicContact CB-CG1 3.86Å; R235-Y282 HydrophobicContact CG-CE2 4.05Å; R235-Y282 WeakPolarHBondContact O-CE2 3.4Å
236	F	96.6	Very high	96.1	Very high	7 Å²	7	31.8 Å²	31.8	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-74.4	-31.6	-177	-77.1	-65.8	0	0	0	112.1	L156 N159 I213 R232 Y233 F234 G238 R239 L240	L156-F236 HydrophobicContact CD1-CB 3.79Å; L156-F236 HydrophobicContact CD1-CD2 3.2Å; L156-F236 HydrophobicContact CD1-CE2 3.85Å; L156-F236 HydrophobicContact CD1-CG 3.68Å; N159-F236 WeakPolarHBondContact ND2-CE2 3.36Å; N159-F236 WeakPolarHBondContact ND2-CZ 3.27Å; I213-F236 HydrophobicContact CD1-CB 4.14Å; I213-F236 WeakPolarHBondContact CD1-O 3.34Å; I213-F236 HydrophobicContact CG2-CB 4.43Å; R232-F236 HydrophobicContact CB-CD2 4.29Å; R232-F236 HydrophobicContact CB-CE2 4.41Å; R232-F236 WeakPolarHBondContact O-CB 3.46Å; R232-F236 WeakPolarHBondContact O-CD2 3.49Å; R232-F236 PolarHBondContact O-N 2.76Å; Y233-F236 PolarHBondContact O-N 2.89Å; F234-F236 PolarHBondContact O-N 3.49Å; F236-G238 VanDerWaalsContact C-N 3.34Å; F236-R239 PolarHBondContact O-N 2.68Å; F236-L240 WeakPolarHBondContact O-CB 3.42Å; F236-L240 WeakPolarHBondContact O-CG 3.35Å; F236-L240 PolarHBondContact O-N 3.29Å
237	H	97.5	Very high	96.2	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.023	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-48.4	167.7	-172.3	-76.3	0	0	0	110.4	I213 Y233 F234 R239 L240 S241 T245 Y246 K248 H249 L288	I213-H237 HydrophobicContact CG1-CB 3.9Å; Y233-H237 WeakPolarHBondContact O-CB 3.46Å; Y233-H237 PolarHBondContact O-N 2.86Å; F234-H237 PolarHBondContact O-N 3.48Å; H237-R239 VanDerWaalsContact C-N 3.31Å; H237-R239 PolarHBondContact O-N 2.88Å; H237-L240 PolarHBondContact O-N 2.92Å; H237-S241 WeakPolarHBondContact O-CB 3.34Å; H237-S241 PolarHBondContact O-N 3.33Å; H237-S241 PolarHBondContact O-OG 3.38Å; H237-T245 PolarHBondContact CE1-O 3.34Å; H237-Y246 PolarHBondContact CE1-O 2.9Å; H237-Y246 VanDerWaalsContact CE1-O 3.26Å; H237-K248 PolarHBondContact NE2-O 3.09Å; H237-H249 AromaticContact CD2-CE1 3.37Å; H237-H249 PolarHBondContact CD2-CE1 2.84Å; H237-H249 AromaticContact CD2-ND1 3.47Å; H237-H249 PolarHBondContact CD2-ND1 3.3Å; H237-H249 AromaticContact CE1-CE1 3.5Å; H237-H249 AromaticContact CE1-NE2 3.57Å; H237-H249 AromaticContact CG-CE1 3.41Å; H237-H249 VanDerWaalsContact CG-CE1 3.41Å; H237-H249 AromaticContact CG-ND1 3.93Å; H237-H249 AromaticContact ND1-CE1 3.52Å; H237-H249 AromaticContact ND1-NE2 3.91Å; H237-H249 AromaticContact NE2-CE1 3.41Å; H237-H249 PolarHBondContact NE2-CE1 3.03Å; H237-H249 AromaticContact NE2-ND1 3.65Å; H237-H249 AromaticContact NE2-NE2 3.7Å; H237-L288 HydrophobicContact CB-CD2 4.22Å
238	G	96.1	Very high	96.1	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-58.4	-41.7	175.4	0	0	0	0	0	113.9	F234 R235 F236 Y282 S284	F234-G238 PolarHBondContact O-N 2.93Å; R235-G238 PolarHBondContact O-N 3.09Å; F236-G238 VanDerWaalsContact C-N 3.34Å; G238-Y282 WeakPolarHBondContact O-CB 3.32Å; G238-S284 WeakPolarHBondContact CA-OG 3.47Å
239	R	95	Very high	96.1	Very high	72 Å²	72	38.5 Å²	38.5	27%	0.272	18%	0.182	S	C	.	.	H	α-helix	trans	-66.7	-39.8	179.4	-173.1	174.6	176.7	157.2	3.2	113.8	R69 D70 R235 F236 H237 Y282	R69-R239 VanDerWaalsContact NH2-NH2 3.14Å; D70-R239 IonicContact OD1-CZ 3.5Å; D70-R239 IonicContact OD1-NE 2.82Å; D70-R239 IonicContact OD1-NH2 3.34Å; D70-R239 PolarHBondContact OD1-NH2 2.98Å; D70-R239 IonicContact OD2-CZ 3.57Å; D70-R239 IonicContact OD2-NH2 3.8Å; D70-R239 PolarHBondContact OD2-NH2 3.5Å; R235-R239 WeakPolarHBondContact O-CB 3.32Å; R235-R239 PolarHBondContact O-N 3.01Å; F236-R239 PolarHBondContact O-N 2.68Å; H237-R239 VanDerWaalsContact C-N 3.31Å; H237-R239 PolarHBondContact O-N 2.88Å; R239-Y282 VanDerWaalsContact CA-CE1 3.49Å; R239-Y282 HydrophobicContact CB-CD1 4.47Å; R239-Y282 HydrophobicContact CB-CE1 3.77Å; R239-Y282 HydrophobicContact CB-CE2 4.01Å; R239-Y282 VanDerWaalsContact CB-CZ 3.5Å; R239-Y282 WeakPolarHBondContact CB-OH 3.21Å; R239-Y282 HydrophobicContact CG-CE1 3.96Å
240	L	95.2	Very high	96	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-104.5	-12.7	-167.4	-60.5	-179.9	0	0	0	113.2	L73 V158 L208 H211 I213 F236 H237	L73-L240 HydrophobicContact CD1-CD2 3.76Å; V158-L240 HydrophobicContact CB-CD1 4.36Å; V158-L240 HydrophobicContact CG1-CD1 4.35Å; V158-L240 HydrophobicContact CG2-CD1 3.95Å; L208-L240 HydrophobicContact CD1-CD1 3.98Å; L208-L240 HydrophobicContact CD1-CD2 3.83Å; H211-L240 PolarHBondContact ND1-O 3.44Å; I213-L240 HydrophobicContact CD1-CB 4.1Å; I213-L240 HydrophobicContact CD1-CD1 3.65Å; I213-L240 HydrophobicContact CD1-CG 4.31Å; F236-L240 WeakPolarHBondContact O-CB 3.42Å; F236-L240 WeakPolarHBondContact O-CG 3.35Å; F236-L240 PolarHBondContact O-N 3.29Å; H237-L240 PolarHBondContact O-N 2.92Å
241	S	95.4	Very high	95.9	Very high	17 Å²	17	44.8 Å²	44.8	12%	0.119	21%	0.214	C	C	.	.			trans	-72.4	147.4	176.8	52.8	0	0	0	0	112	H237 S284	H237-S241 WeakPolarHBondContact O-CB 3.34Å; H237-S241 PolarHBondContact O-N 3.33Å; H237-S241 PolarHBondContact O-OG 3.38Å; S241-S284 PolarHBondContact OG-OG 2.91Å
242	T	94.4	Very high	95.8	Very high	41 Å²	41	49.6 Å²	49.6	25%	0.252	24%	0.24	S	C	.	.			trans	-101.8	167.4	167.2	58.8	0	0	0	0	109.4	D244 T245 Y246	T242-D244 PolarHBondContact O-N 3.22Å; T242-D244 VanDerWaalsContact O-N 3.16Å; T242-D244 PolarHBondContact OG1-OD2 2.92Å; T242-T245 PolarHBondContact N-OG1 3.38Å; T242-T245 CarbonylContact O-C 3.57Å; T242-T245 WeakPolarHBondContact O-CA 3.34Å; T242-T245 PolarHBondContact O-N 3.01Å; T242-T245 PolarHBondContact O-OG1 3.38Å; T242-T245 VanDerWaalsContact O-OG1 3.1Å; T242-T245 PolarHBondContact OG1-OG1 3.08Å; T242-Y246 WeakPolarHBondContact O-CD1 3.48Å; T242-Y246 WeakPolarHBondContact O-CE1 3.36Å; T242-Y246 PolarHBondContact O-N 3.18Å
243	E	93.7	Very high	95.8	Very high	155 Å²	155	47 Å²	47	72%	0.724	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-51	-43.2	-179.1	-171	173.5	-178.7	0	0	113.2	T245 Y246	E243-T245 PolarHBondContact O-N 2.63Å; E243-Y246 HydrophobicContact CB-CE2 4.05Å; E243-Y246 HydrophobicContact CG-CD2 4.45Å; E243-Y246 HydrophobicContact CG-CE2 4.1Å
244	D	94.4	Very high	95.8	Very high	116 Å²	116	47.7 Å²	47.7	62%	0.62	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-73	-5	176.8	34.3	-67.7	0	0	0	114.6	T242 K248	T242-D244 PolarHBondContact O-N 3.22Å; T242-D244 VanDerWaalsContact O-N 3.16Å; T242-D244 PolarHBondContact OG1-OD2 2.92Å; D244-K248 WeakPolarHBondContact O-CE 3.48Å; D244-K248 PolarHBondContact O-NZ 3.3Å
245	T	94.7	Very high	95.8	Very high	18 Å²	18	53.7 Å²	53.7	11%	0.11	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-127.1	3.1	178.1	61	0	0	0	0	114.2	H211 H237 T242 E243 D247 K248	H211-T245 HydrophobicContact CB-CG2 4.46Å; H237-T245 PolarHBondContact CE1-O 3.34Å; T242-T245 PolarHBondContact N-OG1 3.38Å; T242-T245 CarbonylContact O-C 3.57Å; T242-T245 WeakPolarHBondContact O-CA 3.34Å; T242-T245 PolarHBondContact O-N 3.01Å; T242-T245 PolarHBondContact O-OG1 3.38Å; T242-T245 VanDerWaalsContact O-OG1 3.1Å; T242-T245 PolarHBondContact OG1-OG1 3.08Å; E243-T245 PolarHBondContact O-N 2.63Å; T245-D247 PolarHBondContact O-N 3.04Å; T245-D247 VanDerWaalsContact O-N 3.08Å; T245-K248 HydrophobicContact CG2-CD 4.16Å; T245-K248 PolarHBondContact O-N 3.42Å
246	Y	95	Very high	95.8	Very high	44 Å²	44	55.3 Å²	55.3	17%	0.173	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.3	-178.8	-74.7	-12.8	0	0	0	114.7	H237 T242 E243 P283 S284 F287	H237-Y246 PolarHBondContact CE1-O 2.9Å; H237-Y246 VanDerWaalsContact CE1-O 3.26Å; T242-Y246 WeakPolarHBondContact O-CD1 3.48Å; T242-Y246 WeakPolarHBondContact O-CE1 3.36Å; T242-Y246 PolarHBondContact O-N 3.18Å; E243-Y246 HydrophobicContact CB-CE2 4.05Å; E243-Y246 HydrophobicContact CG-CD2 4.45Å; E243-Y246 HydrophobicContact CG-CE2 4.1Å; Y246-P283 HydrophobicContact CE1-CB 4.3Å; Y246-P283 HydrophobicContact CE2-CB 4.2Å; Y246-P283 WeakPolarHBondContact OH-CB 3.26Å; Y246-S284 VanDerWaalsContact CD1-CB 3.49Å; Y246-F287 HydrophobicContact CD2-CD2 4Å; Y246-F287 AromaticContact CD2-CE2 3.76Å; Y246-F287 HydrophobicContact CD2-CE2 3.76Å; Y246-F287 HydrophobicContact CG-CD2 4.26Å; Y246-F287 HydrophobicContact CG-CE2 4.4Å
247	D	94.4	Very high	95.9	Very high	64 Å²	64	55 Å²	55	34%	0.342	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	10	178.8	-161.5	42.1	0	0	0	113.3	T245 H249 F287 R291	T245-D247 PolarHBondContact O-N 3.04Å; T245-D247 VanDerWaalsContact O-N 3.08Å; D247-H249 PolarHBondContact O-N 2.87Å; D247-F287 HydrophobicContact CB-CD1 3.81Å; D247-F287 HydrophobicContact CB-CE1 4.44Å; D247-F287 HydrophobicContact CB-CG 4.45Å; D247-R291 VanDerWaalsContact CG-NH2 3.27Å; D247-R291 IonicContact OD1-CZ 3.21Å; D247-R291 IonicContact OD1-NE 3.69Å; D247-R291 PolarHBondContact OD1-NE 3.18Å; D247-R291 IonicContact OD1-NH2 2.75Å; D247-R291 PolarHBondContact OD1-NH2 3.43Å; D247-R291 IonicContact OD2-CZ 2.79Å; D247-R291 IonicContact OD2-NE 3.41Å; D247-R291 IonicContact OD2-NH2 3.8Å; D247-R291 PolarHBondContact OD2-NH2 3.18Å
248	K	94.6	Very high	96	Very high	139 Å²	139	56.9 Å²	56.9	60%	0.604	29%	0.285	S	S	*	.			trans	-90.7	101.5	-179.8	-70.6	-177.5	-177.6	152.6	0	110.1	H237 D244 T245	H237-K248 PolarHBondContact NE2-O 3.09Å; D244-K248 WeakPolarHBondContact O-CE 3.48Å; D244-K248 PolarHBondContact O-NZ 3.3Å; T245-K248 HydrophobicContact CG2-CD 4.16Å; T245-K248 PolarHBondContact O-N 3.42Å
249	H	96	Very high	96.1	Very high	23 Å²	23	60.7 Å²	60.7	11%	0.106	31%	0.311	C	S	.	.			trans	-111.6	161.2	175.5	-68.6	-86.1	0	0	0	111.6	Y233 H237 D247 E251 L254	Y233-H249 AromaticContact CE1-ND1 3.49Å; Y233-H249 WeakPolarHBondContact CE1-ND1 3.45Å; Y233-H249 AromaticContact CZ-ND1 3.64Å; Y233-H249 PolarHBondContact OH-ND1 3.24Å; H237-H249 AromaticContact CD2-CE1 3.37Å; H237-H249 PolarHBondContact CD2-CE1 2.84Å; H237-H249 AromaticContact CD2-ND1 3.47Å; H237-H249 PolarHBondContact CD2-ND1 3.3Å; H237-H249 AromaticContact CE1-CE1 3.5Å; H237-H249 AromaticContact CE1-NE2 3.57Å; H237-H249 AromaticContact CG-CE1 3.41Å; H237-H249 VanDerWaalsContact CG-CE1 3.41Å; H237-H249 AromaticContact CG-ND1 3.93Å; H237-H249 AromaticContact ND1-CE1 3.52Å; H237-H249 AromaticContact ND1-NE2 3.91Å; H237-H249 AromaticContact NE2-CE1 3.41Å; H237-H249 PolarHBondContact NE2-CE1 3.03Å; H237-H249 AromaticContact NE2-ND1 3.65Å; H237-H249 AromaticContact NE2-NE2 3.7Å; D247-H249 PolarHBondContact O-N 2.87Å; H249-E251 PolarHBondContact O-N 2.81Å; H249-L254 HydrophobicContact CB-CD1 3.56Å; H249-L254 HydrophobicContact CB-CD2 4.26Å; H249-L254 HydrophobicContact CB-CG 3.87Å
250	D	94.8	Very high	96.2	Very high	62 Å²	62	57.6 Å²	57.6	33%	0.332	30%	0.3	S	S	.	.			trans	-80.9	109	165.3	-173.8	-39.9	0	0	0	107.9	D252 V253 L254	D250-D252 PolarHBondContact O-N 3.22Å; D250-D252 PolarHBondContact OD1-N 2.95Å; D250-V253 HydrophobicContact CB-CB 4Å; D250-V253 HydrophobicContact CB-CG2 3.82Å; D250-V253 WeakPolarHBondContact O-CB 3.49Å; D250-V253 PolarHBondContact O-N 3.49Å; D250-V253 VanDerWaalsContact O-N 3.15Å; D250-V253 PolarHBondContact OD1-N 2.82Å; D250-L254 PolarHBondContact O-N 3.26Å
251	E	96.3	Very high	96.4	Very high	94 Å²	94	57.4 Å²	57.4	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-28.5	-174.3	-67.2	-61.9	157.4	0	0	112.9	H249 L254 K255 R291	H249-E251 PolarHBondContact O-N 2.81Å; E251-L254 PolarHBondContact O-N 3.49Å; E251-K255 WeakPolarHBondContact O-CG 3.22Å; E251-K255 PolarHBondContact O-N 3.5Å; E251-K255 VanDerWaalsContact O-N 3.11Å; E251-R291 IonicContact OE1-NH1 3.73Å
252	D	96.7	Very high	96.5	Very high	100 Å²	100	61.3 Å²	61.3	54%	0.535	32%	0.319	S	S	.	.	H	α-helix	trans	-75.4	-36.9	176.7	-68.2	-29	0	0	0	110.7	D250 L254 K255 I256	D250-D252 PolarHBondContact O-N 3.22Å; D250-D252 PolarHBondContact OD1-N 2.95Å; D252-L254 VanDerWaalsContact C-N 3.35Å; D252-K255 PolarHBondContact O-N 3.29Å; D252-K255 IonicContact OD1-NZ 2.85Å; D252-K255 PolarHBondContact OD1-NZ 2.96Å; D252-I256 WeakPolarHBondContact O-CG1 3.44Å; D252-I256 PolarHBondContact O-N 2.95Å; D252-I256 VanDerWaalsContact O-N 3.08Å
253	V	97	Very high	96.6	Very high	9 Å²	9	59.4 Å²	59.4	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-41	171	177.7	0	0	0	0	111.2	F215 P219 Y233 D250 K255 I256 I257	F215-V253 HydrophobicContact CD2-CG1 4.3Å; F215-V253 HydrophobicContact CE2-CG1 3.92Å; P219-V253 HydrophobicContact CG-CG2 4.29Å; Y233-V253 HydrophobicContact CD2-CG1 4.06Å; Y233-V253 HydrophobicContact CE2-CG1 3.79Å; D250-V253 HydrophobicContact CB-CB 4Å; D250-V253 HydrophobicContact CB-CG2 3.82Å; D250-V253 WeakPolarHBondContact O-CB 3.49Å; D250-V253 PolarHBondContact O-N 3.49Å; D250-V253 VanDerWaalsContact O-N 3.15Å; D250-V253 PolarHBondContact OD1-N 2.82Å; V253-K255 VanDerWaalsContact C-N 3.34Å; V253-K255 PolarHBondContact O-N 3.07Å; V253-I256 PolarHBondContact O-N 3.36Å; V253-I257 HydrophobicContact CG1-CD1 3.94Å; V253-I257 HydrophobicContact CG1-CG1 4.4Å; V253-I257 WeakPolarHBondContact O-CG1 3.46Å; V253-I257 PolarHBondContact O-N 3.46Å
254	L	97.8	Very high	96.8	Very high	16 Å²	16	52 Å²	52	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-39.8	176.3	-70.9	-173.3	0	0	0	112.4	Y233 F234 H249 D250 E251 D252 I257 A258	Y233-L254 HydrophobicContact CE1-CD2 3.96Å; F234-L254 HydrophobicContact CE1-CD2 4.34Å; F234-L254 HydrophobicContact CZ-CD2 4.08Å; H249-L254 HydrophobicContact CB-CD1 3.56Å; H249-L254 HydrophobicContact CB-CD2 4.26Å; H249-L254 HydrophobicContact CB-CG 3.87Å; D250-L254 PolarHBondContact O-N 3.26Å; E251-L254 PolarHBondContact O-N 3.49Å; D252-L254 VanDerWaalsContact C-N 3.35Å; L254-I257 HydrophobicContact CD2-CD1 4.4Å; L254-I257 WeakPolarHBondContact O-CB 3.49Å; L254-I257 PolarHBondContact O-N 3.31Å; L254-A258 WeakPolarHBondContact O-CB 3.32Å; L254-A258 PolarHBondContact O-N 3.28Å
255	K	98.3	Very high	96.8	Very high	127 Å²	127	49.9 Å²	49.9	55%	0.552	27%	0.267	S	S	*	.	H	α-helix	trans	-62.7	-42	174.2	-69.4	167.1	-159.7	156.2	0	112	E251 D252 V253 I257 A258 S259	E251-K255 WeakPolarHBondContact O-CG 3.22Å; E251-K255 PolarHBondContact O-N 3.5Å; E251-K255 VanDerWaalsContact O-N 3.11Å; D252-K255 PolarHBondContact O-N 3.29Å; D252-K255 IonicContact OD1-NZ 2.85Å; D252-K255 PolarHBondContact OD1-NZ 2.96Å; V253-K255 VanDerWaalsContact C-N 3.34Å; V253-K255 PolarHBondContact O-N 3.07Å; K255-I257 VanDerWaalsContact C-N 3.33Å; K255-A258 PolarHBondContact O-N 3.12Å; K255-S259 PolarHBondContact O-N 3Å; K255-S259 PolarHBondContact O-OG 2.9Å
256	I	98.4	Very high	96.8	Very high	40 Å²	40	56.2 Å²	56.2	21%	0.205	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-39.7	176.2	-66.3	167.3	0	0	0	110.7	P219 D220 I223 D252 V253 S259 N260	P219-I256 HydrophobicContact CB-CD1 3.96Å; P219-I256 HydrophobicContact CB-CG2 4.42Å; P219-I256 HydrophobicContact CG-CD1 4.29Å; D220-I256 HydrophobicContact CB-CG2 3.69Å; I223-I256 HydrophobicContact CD1-CG2 3.97Å; D252-I256 WeakPolarHBondContact O-CG1 3.44Å; D252-I256 PolarHBondContact O-N 2.95Å; D252-I256 VanDerWaalsContact O-N 3.08Å; V253-I256 PolarHBondContact O-N 3.36Å; I256-S259 PolarHBondContact O-N 3.5Å; I256-S259 PolarHBondContact O-OG 2.9Å; I256-N260 PolarHBondContact O-N 3.38Å; I256-N260 PolarHBondContact O-ND2 3.28Å
257	I	98.5	Very high	96.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-48.4	174	-74.8	169.1	0	0	0	110.1	I223 I230 Y233 F234 V253 L254 K255 S259 N260 A261 A295 L297	I223-I257 HydrophobicContact CD1-CG1 3.77Å; I230-I257 HydrophobicContact CG1-CG1 4.42Å; I230-I257 HydrophobicContact CG1-CG2 4.34Å; I230-I257 HydrophobicContact CG2-CG2 3.6Å; Y233-I257 HydrophobicContact CD1-CD1 3.51Å; Y233-I257 HydrophobicContact CD2-CD1 4.47Å; Y233-I257 HydrophobicContact CE1-CD1 3.97Å; Y233-I257 HydrophobicContact CG-CD1 3.81Å; F234-I257 HydrophobicContact CE2-CD1 4.26Å; F234-I257 HydrophobicContact CE2-CG2 4.17Å; V253-I257 HydrophobicContact CG1-CD1 3.94Å; V253-I257 HydrophobicContact CG1-CG1 4.4Å; V253-I257 WeakPolarHBondContact O-CG1 3.46Å; V253-I257 PolarHBondContact O-N 3.46Å; L254-I257 HydrophobicContact CD2-CD1 4.4Å; L254-I257 WeakPolarHBondContact O-CB 3.49Å; L254-I257 PolarHBondContact O-N 3.31Å; K255-I257 VanDerWaalsContact C-N 3.33Å; I257-S259 VanDerWaalsContact C-N 3.32Å; I257-S259 PolarHBondContact O-N 2.83Å; I257-N260 CarbonylContact O-C 3.37Å; I257-N260 PolarHBondContact O-N 3.45Å; I257-N260 VanDerWaalsContact O-N 3.11Å; I257-A261 PolarHBondContact O-N 3.14Å; I257-A295 HydrophobicContact CG2-CB 4.2Å; I257-L297 HydrophobicContact CG2-CD2 4.09Å
258	A	98.4	Very high	96.8	Very high	46 Å²	46	53 Å²	53	38%	0.38	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-40.4	-179.5	0	0	0	0	0	112	L254 K255 N260 A261 A295	L254-A258 WeakPolarHBondContact O-CB 3.32Å; L254-A258 PolarHBondContact O-N 3.28Å; K255-A258 PolarHBondContact O-N 3.12Å; A258-N260 PolarHBondContact O-N 3.03Å; A258-A261 PolarHBondContact O-N 2.97Å; A258-A295 HydrophobicContact CB-CB 4.41Å
259	S	98.4	Very high	96.9	Very high	82 Å²	82	46.6 Å²	46.6	57%	0.573	26%	0.259	S	S	*	.	H	α-helix	trans	-69	-20	177.6	67.1	0	0	0	0	114	K255 I256 I257	K255-S259 PolarHBondContact O-N 3Å; K255-S259 PolarHBondContact O-OG 2.9Å; I256-S259 PolarHBondContact O-N 3.5Å; I256-S259 PolarHBondContact O-OG 2.9Å; I257-S259 VanDerWaalsContact C-N 3.32Å; I257-S259 PolarHBondContact O-N 2.83Å
260	N	98.4	Very high	96.9	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-110.5	3.5	-179.3	-73.4	-80.4	0	0	0	113.8	D220 I223 K224 Y227 I230 I256 I257 A258 N262 G263	D220-N260 PolarHBondContact OD1-ND2 3.09Å; I223-N260 HydrophobicContact CG2-CB 3.59Å; K224-N260 WeakPolarHBondContact CE-OD1 3.38Å; Y227-N260 HydrophobicContact CD1-CB 4.35Å; Y227-N260 HydrophobicContact CE1-CB 4.07Å; I230-N260 HydrophobicContact CD1-CB 4.34Å; I256-N260 PolarHBondContact O-N 3.38Å; I256-N260 PolarHBondContact O-ND2 3.28Å; I257-N260 CarbonylContact O-C 3.37Å; I257-N260 PolarHBondContact O-N 3.45Å; I257-N260 VanDerWaalsContact O-N 3.11Å; A258-N260 PolarHBondContact O-N 3.03Å; N260-N262 PolarHBondContact O-N 3.23Å; N260-N262 VanDerWaalsContact O-N 3.14Å; N260-N262 PolarHBondContact O-OD1 2.78Å; N260-G263 PolarHBondContact O-N 3.18Å
261	A	98.1	Very high	96.9	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.033	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-54.2	-37	-174.7	0	0	0	0	0	113.1	I257 A258 G263 L264 L297 H300	I257-A261 PolarHBondContact O-N 3.14Å; A258-A261 PolarHBondContact O-N 2.97Å; A261-G263 PolarHBondContact O-N 3.02Å; A261-L264 WeakPolarHBondContact O-CB 3.36Å; A261-L264 PolarHBondContact O-N 2.63Å; A261-L264 VanDerWaalsContact O-N 3.1Å; A261-L297 HydrophobicContact CB-CD2 3.51Å; A261-H300 VanDerWaalsContact C-CD2 3.47Å; A261-H300 PolarHBondContact O-CD2 3.46Å; A261-H300 VanDerWaalsContact O-CD2 3.3Å
262	N	97.7	Very high	97	Very high	99 Å²	99	45.7 Å²	45.7	53%	0.529	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-59.5	-29.2	179.2	66.6	-24.1	0	0	0	113.9	N260 L264 S265 H300	N260-N262 PolarHBondContact O-N 3.23Å; N260-N262 VanDerWaalsContact O-N 3.14Å; N260-N262 PolarHBondContact O-OD1 2.78Å; N262-L264 PolarHBondContact O-N 2.87Å; N262-S265 VanDerWaalsContact O-CB 3.23Å; N262-S265 WeakPolarHBondContact O-CB 3.37Å; N262-S265 PolarHBondContact O-N 3Å; N262-S265 PolarHBondContact O-OG 2.86Å; N262-H300 VanDerWaalsContact CA-CE1 3.42Å; N262-H300 WeakPolarHBondContact CA-CE1 3.34Å; N262-H300 WeakPolarHBondContact CA-NE2 3.37Å
263	G	97.1	Very high	97	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-63.1	-21.9	177.5	0	0	0	0	0	113.4	Y227 N260 A261 S265 M266	Y227-G263 WeakPolarHBondContact CD2-O 3.25Å; Y227-G263 VanDerWaalsContact CG-C 3.47Å; N260-G263 PolarHBondContact O-N 3.18Å; A261-G263 PolarHBondContact O-N 3.02Å; G263-S265 PolarHBondContact O-N 2.55Å; G263-S265 VanDerWaalsContact O-N 3.1Å; G263-M266 WeakPolarHBondContact O-CB 3.27Å; G263-M266 PolarHBondContact O-N 2.81Å
264	L	97.3	Very high	97	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-57.6	-25.9	170.7	-73.5	174.3	0	0	0	112.4	Y227 I230 L231 A261 N262 M266 I267 L297 H300 R347	Y227-L264 VanDerWaalsContact O-CD2 3.3Å; Y227-L264 WeakPolarHBondContact O-CD2 3.46Å; I230-L264 HydrophobicContact CB-CD2 4.36Å; I230-L264 HydrophobicContact CD1-CG 4.19Å; I230-L264 HydrophobicContact CG2-CD1 4.21Å; L231-L264 HydrophobicContact CD1-CD2 4.37Å; L231-L264 HydrophobicContact CD2-CD1 4.29Å; L231-L264 HydrophobicContact CG-CD2 4.06Å; A261-L264 WeakPolarHBondContact O-CB 3.36Å; A261-L264 PolarHBondContact O-N 2.63Å; A261-L264 VanDerWaalsContact O-N 3.1Å; N262-L264 PolarHBondContact O-N 2.87Å; L264-M266 PolarHBondContact O-N 3.41Å; L264-I267 PolarHBondContact O-N 2.88Å; L264-L297 HydrophobicContact CD1-CB 4.48Å; L264-L297 HydrophobicContact CD1-CD2 4.03Å; L264-H300 HydrophobicContact CB-CB 4.01Å; L264-R347 PolarHBondContact O-NH2 3.17Å
265	S	95.1	Very high	97	Very high	72 Å²	72	44.3 Å²	44.3	50%	0.503	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.6	-22.2	176	-46.7	0	0	0	0	112.9	N262 G263 I267 H300	N262-S265 VanDerWaalsContact O-CB 3.23Å; N262-S265 WeakPolarHBondContact O-CB 3.37Å; N262-S265 PolarHBondContact O-N 3Å; N262-S265 PolarHBondContact O-OG 2.86Å; G263-S265 PolarHBondContact O-N 2.55Å; G263-S265 VanDerWaalsContact O-N 3.1Å; S265-I267 VanDerWaalsContact C-N 3.34Å; S265-H300 PolarHBondContact OG-ND1 3.46Å
266	M	93.8	Very high	97	Very high	150 Å²	150	38.2 Å²	38.2	74%	0.739	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-81.9	-15.7	175.7	-56.7	-178.4	178.8	0	0	112.4	Y227 G263 L264	Y227-M266 HydrophobicContact CD2-SD 4.45Å; Y227-M266 HydrophobicContact CE2-SD 3.99Å; G263-M266 WeakPolarHBondContact O-CB 3.27Å; G263-M266 PolarHBondContact O-N 2.81Å; L264-M266 PolarHBondContact O-N 3.41Å
267	I	95.1	Very high	96.9	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.067	22%	0.222	C	C	.	.	S	Bend	trans	-88.1	133.5	-178.1	-52.7	-60.2	0	0	0	110.6	D226 L228 L264 S265 G269 R271 R347	D226-I267 WeakPolarHBondContact OD1-CD1 3.12Å; L228-I267 HydrophobicContact CB-CG2 4.27Å; L228-I267 HydrophobicContact CD1-CG2 4.05Å; L264-I267 PolarHBondContact O-N 2.88Å; S265-I267 VanDerWaalsContact C-N 3.34Å; I267-G269 PolarHBondContact O-N 3.39Å; I267-R271 HydrophobicContact CG2-CB 4Å; I267-R347 PolarHBondContact O-NH1 2.89Å; I267-R347 PolarHBondContact O-NH2 3.07Å
268	S	95.2	Very high	96.8	Very high	28 Å²	28	44.1 Å²	44.1	20%	0.196	24%	0.241	C	C	.	.			trans	-55.6	136.3	178	57.6	0	0	0	0	112	R137 E270 R271 C272	R137-S268 PolarHBondContact NH2-OG 2.86Å; S268-E270 PolarHBondContact O-N 3.43Å; S268-R271 PolarHBondContact O-N 3.03Å; S268-R271 WeakPolarHBondContact OG-CD 3.3Å; S268-R271 WeakPolarHBondContact OG-CG 3.46Å; S268-C272 PolarHBondContact O-N 3.05Å
269	G	96.2	Very high	96.8	Very high	5 Å²	5	41.9 Å²	41.9	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-54.1	-37	-178.2	0	0	0	0	0	114.2	I267 R271 C272 L273 R347 L348	I267-G269 PolarHBondContact O-N 3.39Å; G269-R271 VanDerWaalsContact C-N 3.35Å; G269-R271 PolarHBondContact O-N 3.03Å; G269-C272 PolarHBondContact O-N 2.75Å; G269-L273 WeakPolarHBondContact O-CB 3.27Å; G269-L273 PolarHBondContact O-N 2.95Å; G269-R347 VanDerWaalsContact CA-O 3.32Å; G269-R347 WeakPolarHBondContact CA-O 3.2Å; G269-L348 CarbonylContact C-O 3.59Å
270	E	95.4	Very high	96.6	Very high	86 Å²	86	38 Å²	38	40%	0.402	20%	0.196	S	C	.	.	H	α-helix	trans	-62.8	-40	178.8	-61	85.8	169.9	0	0	112.1	S268 S274 R349	S268-E270 PolarHBondContact O-N 3.43Å; E270-S274 WeakPolarHBondContact O-CB 3.48Å; E270-S274 PolarHBondContact O-N 3.14Å; E270-R349 WeakPolarHBondContact OE1-CD 3.18Å; E270-R349 IonicContact OE1-CZ 3.45Å; E270-R349 IonicContact OE1-NE 3.05Å; E270-R349 IonicContact OE1-NH1 2.93Å; E270-R349 PolarHBondContact OE1-NH1 2.74Å
271	R	95.9	Very high	96.5	Very high	74 Å²	74	41.6 Å²	41.6	28%	0.279	22%	0.215	S	C	.	.	H	α-helix	trans	-68.9	-44.3	176.2	-72	-179.6	71.7	-166.3	-4.3	111.1	G136 D226 L228 I267 S268 G269 S274 E275	G136-R271 PolarHBondContact O-NH1 3.15Å; D226-R271 IonicContact OD1-NH2 2.77Å; D226-R271 IonicContact OD2-CZ 2.91Å; D226-R271 IonicContact OD2-NH1 3.24Å; D226-R271 IonicContact OD2-NH2 3.73Å; D226-R271 PolarHBondContact OD2-NH2 2.9Å; L228-R271 HydrophobicContact CD1-CB 4.34Å; L228-R271 HydrophobicContact CD2-CB 4.09Å; L228-R271 VanDerWaalsContact CD2-NH2 3.27Å; I267-R271 HydrophobicContact CG2-CB 4Å; S268-R271 PolarHBondContact O-N 3.03Å; S268-R271 WeakPolarHBondContact OG-CD 3.3Å; S268-R271 WeakPolarHBondContact OG-CG 3.46Å; G269-R271 VanDerWaalsContact C-N 3.35Å; G269-R271 PolarHBondContact O-N 3.03Å; R271-S274 PolarHBondContact O-N 3.38Å; R271-E275 PolarHBondContact O-N 3.35Å; R271-E275 VanDerWaalsContact O-N 3.14Å
272	C	97.7	Very high	96.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-45.9	175.8	-66.5	0	0	0	0	111.5	L231 S268 G269 S274 E275 L276 L301 R347 L348	L231-C272 HydrophobicContact CD1-CB 4.08Å; S268-C272 PolarHBondContact O-N 3.05Å; G269-C272 PolarHBondContact O-N 2.75Å; C272-S274 VanDerWaalsContact C-N 3.34Å; C272-S274 PolarHBondContact O-N 3.42Å; C272-E275 PolarHBondContact O-N 3.24Å; C272-L276 WeakPolarHBondContact O-CB 3.42Å; C272-L276 PolarHBondContact O-N 3.43Å; C272-L301 HydrophobicContact CB-CD2 4.01Å; C272-R347 PolarHBondContact SG-NH2 3.19Å; C272-L348 HydrophobicContact CB-CD2 3.6Å
273	L	97.4	Very high	96	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-42	178.3	-176.2	59.7	0	0	0	111.5	G269 E275 L276 K277 L348 L350	G269-L273 WeakPolarHBondContact O-CB 3.27Å; G269-L273 PolarHBondContact O-N 2.95Å; L273-E275 VanDerWaalsContact C-N 3.34Å; L273-E275 PolarHBondContact O-N 3.4Å; L273-L276 PolarHBondContact O-N 3.03Å; L273-K277 HydrophobicContact CD1-CG 4.19Å; L273-K277 HydrophobicContact CG-CD 4.49Å; L273-K277 HydrophobicContact CG-CG 4.44Å; L273-K277 WeakPolarHBondContact O-CB 3.23Å; L273-K277 WeakPolarHBondContact O-CG 3.17Å; L273-K277 PolarHBondContact O-N 3.27Å; L273-L348 HydrophobicContact CB-CB 4.18Å; L273-L348 HydrophobicContact CD1-CB 4.3Å; L273-L348 HydrophobicContact CD1-CD1 4.04Å; L273-L350 HydrophobicContact CD1-CD2 3.93Å; L273-L350 HydrophobicContact CD2-CD2 4.15Å
274	S	96.6	Very high	95.9	Very high	66 Å²	66	41.5 Å²	41.5	46%	0.462	21%	0.214	S	C	.	.	H	α-helix	trans	-61.3	-41.9	178	-175.1	0	0	0	0	112.2	E270 R271 C272 R278	E270-S274 WeakPolarHBondContact O-CB 3.48Å; E270-S274 PolarHBondContact O-N 3.14Å; R271-S274 PolarHBondContact O-N 3.38Å; C272-S274 VanDerWaalsContact C-N 3.34Å; C272-S274 PolarHBondContact O-N 3.42Å; S274-R278 WeakPolarHBondContact O-CG 3.38Å; S274-R278 PolarHBondContact O-N 3.07Å
275	E	97.4	Very high	95.8	Very high	13 Å²	13	41.5 Å²	41.5	6%	0.061	21%	0.214	C	C	.	.	H	α-helix	trans	-71	-44.1	176	-70.7	-63.6	171	0	0	111.6	L228 L231 R232 R235 R271 C272 L273 K277 R278 I279	L228-E275 HydrophobicContact CD1-CB 4.27Å; L228-E275 HydrophobicContact CD1-CG 3.65Å; L228-E275 HydrophobicContact CD2-CG 4.05Å; L228-E275 HydrophobicContact CG-CG 3.89Å; L231-E275 HydrophobicContact CB-CB 3.7Å; L231-E275 HydrophobicContact CB-CG 4.28Å; L231-E275 HydrophobicContact CD1-CB 4Å; R232-E275 HydrophobicContact CG-CG 4.37Å; R232-E275 WeakPolarHBondContact CG-OE1 3.16Å; R232-E275 IonicContact NH1-OE1 3.42Å; R235-E275 WeakPolarHBondContact CD-OE2 3.44Å; R235-E275 IonicContact CZ-OE1 3.25Å; R235-E275 IonicContact CZ-OE2 3.72Å; R235-E275 VanDerWaalsContact CZ-OE2 3.25Å; R235-E275 IonicContact NE-OE2 3.56Å; R235-E275 PolarHBondContact NE-OE2 2.66Å; R235-E275 IonicContact NH1-OE1 2.69Å; R235-E275 PolarHBondContact NH1-OE1 2.69Å; R235-E275 IonicContact NH1-OE2 2.84Å; R235-E275 PolarHBondContact NH1-OE2 3.05Å; R271-E275 PolarHBondContact O-N 3.35Å; R271-E275 VanDerWaalsContact O-N 3.14Å; C272-E275 PolarHBondContact O-N 3.24Å; L273-E275 VanDerWaalsContact C-N 3.34Å; L273-E275 PolarHBondContact O-N 3.4Å; E275-K277 VanDerWaalsContact C-N 3.34Å; E275-K277 PolarHBondContact O-N 2.83Å; E275-R278 PolarHBondContact O-N 3.48Å; E275-I279 WeakPolarHBondContact O-CG1 3.29Å; E275-I279 PolarHBondContact O-N 3.12Å
276	L	98.1	Very high	95.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.5	-46.2	177.7	-179.7	60.4	0	0	0	111.6	C272 L273 R278 I279 L280 M292 L331 L348	C272-L276 WeakPolarHBondContact O-CB 3.42Å; C272-L276 PolarHBondContact O-N 3.43Å; L273-L276 PolarHBondContact O-N 3.03Å; L276-R278 PolarHBondContact O-N 3.43Å; L276-I279 WeakPolarHBondContact O-CB 3.21Å; L276-I279 PolarHBondContact O-N 2.88Å; L276-I279 VanDerWaalsContact O-N 3.17Å; L276-L280 HydrophobicContact CD1-CD1 4.17Å; L276-L280 HydrophobicContact CD1-CG 4.27Å; L276-L280 HydrophobicContact CG-CD1 4.09Å; L276-L280 VanDerWaalsContact O-CG 3.29Å; L276-L280 WeakPolarHBondContact O-CG 3.43Å; L276-L280 PolarHBondContact O-N 3.12Å; L276-L280 VanDerWaalsContact O-N 3.14Å; L276-M292 HydrophobicContact CD1-CE 4.05Å; L276-L331 HydrophobicContact CD2-CD2 4.36Å; L276-L348 HydrophobicContact CD2-CD1 3.75Å
277	K	97.4	Very high	95.9	Very high	59 Å²	59	35.1 Å²	35.1	26%	0.257	17%	0.173	S	C	.	.	H	α-helix	trans	-57.4	-39.4	176	-75.8	-169.6	179.8	-166	0	112	L273 E275 L280 L281 P327 D354	L273-K277 HydrophobicContact CD1-CG 4.19Å; L273-K277 HydrophobicContact CG-CD 4.49Å; L273-K277 HydrophobicContact CG-CG 4.44Å; L273-K277 WeakPolarHBondContact O-CB 3.23Å; L273-K277 WeakPolarHBondContact O-CG 3.17Å; L273-K277 PolarHBondContact O-N 3.27Å; E275-K277 VanDerWaalsContact C-N 3.34Å; E275-K277 PolarHBondContact O-N 2.83Å; K277-L280 PolarHBondContact O-N 3.44Å; K277-L281 WeakPolarHBondContact O-CG 3.48Å; K277-P327 HydrophobicContact CB-CB 4.11Å; K277-P327 HydrophobicContact CB-CG 4.03Å; K277-P327 HydrophobicContact CG-CB 3.9Å; K277-P327 HydrophobicContact CG-CG 4.25Å; K277-P327 VanDerWaalsContact O-CG 3.29Å; K277-P327 WeakPolarHBondContact O-CG 3.39Å; K277-D354 IonicContact NZ-OD1 3.09Å; K277-D354 PolarHBondContact NZ-OD1 2.99Å; K277-D354 IonicContact NZ-OD2 3.8Å; K277-D354 PolarHBondContact NZ-OD2 3.07Å
278	R	96.9	Very high	96	Very high	104 Å²	104	34.5 Å²	34.5	39%	0.392	17%	0.17	S	C	.	.	H	α-helix	trans	-70.9	-36.4	178.7	-66.4	176.4	82.7	167.5	12	112.5	R235 S274 E275 L276 L280 L281 Y282	R235-R278 HydrophobicContact CG-CB 3.92Å; S274-R278 WeakPolarHBondContact O-CG 3.38Å; S274-R278 PolarHBondContact O-N 3.07Å; E275-R278 PolarHBondContact O-N 3.48Å; L276-R278 PolarHBondContact O-N 3.43Å; R278-L280 VanDerWaalsContact C-N 3.27Å; R278-L280 PolarHBondContact O-N 3.17Å; R278-L281 PolarHBondContact O-N 3.07Å; R278-Y282 VanDerWaalsContact O-CD2 3.28Å; R278-Y282 WeakPolarHBondContact O-CD2 3.39Å; R278-Y282 WeakPolarHBondContact O-CE2 3.27Å
279	I	97.1	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.6	-46.4	173.8	-70.2	165.3	0	0	0	110.1	L231 F234 R235 E275 L276 L281 Y282 T285 L288 M292	L231-I279 HydrophobicContact CB-CD1 4.22Å; L231-I279 HydrophobicContact CD2-CD1 4.4Å; F234-I279 HydrophobicContact CB-CD1 3.81Å; F234-I279 HydrophobicContact CB-CG1 4.17Å; R235-I279 HydrophobicContact CB-CG1 3.86Å; E275-I279 WeakPolarHBondContact O-CG1 3.29Å; E275-I279 PolarHBondContact O-N 3.12Å; L276-I279 WeakPolarHBondContact O-CB 3.21Å; L276-I279 PolarHBondContact O-N 2.88Å; L276-I279 VanDerWaalsContact O-N 3.17Å; I279-L281 PolarHBondContact O-N 3.38Å; I279-L281 VanDerWaalsContact O-N 3.13Å; I279-Y282 WeakPolarHBondContact O-CD2 3.35Å; I279-Y282 PolarHBondContact O-N 3.01Å; I279-T285 PolarHBondContact O-OG1 3.14Å; I279-L288 HydrophobicContact CG2-CB 4.21Å; I279-L288 HydrophobicContact CG2-CD1 3.89Å; I279-M292 HydrophobicContact CD1-CE 4.4Å; I279-M292 HydrophobicContact CD1-SD 4.14Å; I279-M292 HydrophobicContact CG2-SD 4.15Å
280	L	95.8	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0.4	-174.1	-61.6	174.9	0	0	0	114.7	L276 K277 R278 T285 L289 P327 C330 L331	L276-L280 HydrophobicContact CD1-CD1 4.17Å; L276-L280 HydrophobicContact CD1-CG 4.27Å; L276-L280 HydrophobicContact CG-CD1 4.09Å; L276-L280 VanDerWaalsContact O-CG 3.29Å; L276-L280 WeakPolarHBondContact O-CG 3.43Å; L276-L280 PolarHBondContact O-N 3.12Å; L276-L280 VanDerWaalsContact O-N 3.14Å; K277-L280 PolarHBondContact O-N 3.44Å; R278-L280 VanDerWaalsContact C-N 3.27Å; R278-L280 PolarHBondContact O-N 3.17Å; L280-T285 WeakPolarHBondContact CA-OG1 3.48Å; L280-T285 HydrophobicContact CD2-CG2 3.55Å; L280-T285 PolarHBondContact O-OG1 3.46Å; L280-L289 HydrophobicContact CD2-CD1 3.79Å; L280-L289 HydrophobicContact CD2-CD2 3.95Å; L280-L289 HydrophobicContact CD2-CG 3.97Å; L280-P327 HydrophobicContact CB-CB 3.92Å; L280-P327 HydrophobicContact CB-CG 4.31Å; L280-P327 HydrophobicContact CD1-CB 3.97Å; L280-P327 WeakPolarHBondContact CD1-O 3.46Å; L280-C330 HydrophobicContact CD2-CB 4.43Å; L280-L331 HydrophobicContact CD1-CD1 4.24Å; L280-L331 HydrophobicContact CD1-CD2 3.83Å; L280-L331 HydrophobicContact CD1-CG 3.71Å
281	L	94.3	Very high	96.3	Very high	84 Å²	84	34.9 Å²	34.9	44%	0.44	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9	176.7	-67.2	174.1	0	0	0	113.1	K277 R278 I279 P325 P327	K277-L281 WeakPolarHBondContact O-CG 3.48Å; R278-L281 PolarHBondContact O-N 3.07Å; I279-L281 PolarHBondContact O-N 3.38Å; I279-L281 VanDerWaalsContact O-N 3.13Å; L281-P325 HydrophobicContact CD2-CG 4.49Å; L281-P325 VanDerWaalsContact O-CG 3.25Å; L281-P325 WeakPolarHBondContact O-CG 3.4Å; L281-P327 HydrophobicContact CD2-CG 3.82Å; L281-P327 HydrophobicContact CG-CG 4.24Å
282	Y	93.8	Very high	96.4	Very high	43 Å²	43	31.3 Å²	31.3	17%	0.169	15%	0.149	C	C	.	.	S	Bend	trans	-98.4	149	-172.1	-61.2	-64.5	0	0	0	112.9	R235 G238 R239 R278 I279 S284 T285 W316	R235-Y282 HydrophobicContact CG-CE2 4.05Å; R235-Y282 WeakPolarHBondContact O-CE2 3.4Å; G238-Y282 WeakPolarHBondContact O-CB 3.32Å; R239-Y282 VanDerWaalsContact CA-CE1 3.49Å; R239-Y282 HydrophobicContact CB-CD1 4.47Å; R239-Y282 HydrophobicContact CB-CE1 3.77Å; R239-Y282 HydrophobicContact CB-CE2 4.01Å; R239-Y282 VanDerWaalsContact CB-CZ 3.5Å; R239-Y282 WeakPolarHBondContact CB-OH 3.21Å; R239-Y282 HydrophobicContact CG-CE1 3.96Å; R278-Y282 VanDerWaalsContact O-CD2 3.28Å; R278-Y282 WeakPolarHBondContact O-CD2 3.39Å; R278-Y282 WeakPolarHBondContact O-CE2 3.27Å; I279-Y282 WeakPolarHBondContact O-CD2 3.35Å; I279-Y282 PolarHBondContact O-N 3.01Å; Y282-S284 PolarHBondContact O-N 3.45Å; Y282-S284 VanDerWaalsContact O-N 3.09Å; Y282-T285 VanDerWaalsContact O-CB 3.31Å; Y282-T285 WeakPolarHBondContact O-CB 3.38Å; Y282-T285 PolarHBondContact O-N 3.38Å; Y282-T285 PolarHBondContact O-OG1 2.85Å; Y282-W316 WeakPolarHBondContact O-CH2 3.44Å; Y282-W316 WeakPolarHBondContact O-CZ2 3.4Å
283	P	92.6	Very high	96.4	Very high	59 Å²	59	32.6 Å²	32.6	38%	0.383	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-32.4	175.4	-33.2	39.5	0	0	0	115.3	Y246 T285	Y246-P283 HydrophobicContact CE1-CB 4.3Å; Y246-P283 HydrophobicContact CE2-CB 4.2Å; Y246-P283 WeakPolarHBondContact OH-CB 3.26Å; P283-T285 PolarHBondContact O-N 2.9Å
284	S	94	Very high	96.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	3	179.3	46.3	0	0	0	0	114.8	G238 S241 Y246 Y282 P286 F287 L288	G238-S284 WeakPolarHBondContact CA-OG 3.47Å; S241-S284 PolarHBondContact OG-OG 2.91Å; Y246-S284 VanDerWaalsContact CD1-CB 3.49Å; Y282-S284 PolarHBondContact O-N 3.45Å; Y282-S284 VanDerWaalsContact O-N 3.09Å; S284-P286 VanDerWaalsContact C-CD 3.49Å; S284-P286 VanDerWaalsContact C-N 3.34Å; S284-P286 VanDerWaalsContact O-N 3.15Å; S284-F287 WeakPolarHBondContact O-CA 3.36Å; S284-F287 WeakPolarHBondContact O-CB 3.45Å; S284-F287 PolarHBondContact O-N 3.25Å; S284-L288 WeakPolarHBondContact O-CG 3.37Å; S284-L288 PolarHBondContact O-N 3.4Å
285	T	95.2	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-46	-46.2	-177.6	-69.9	0	0	0	0	114.2	I279 L280 Y282 P283 F287 L288 L289 W316	I279-T285 PolarHBondContact O-OG1 3.14Å; L280-T285 WeakPolarHBondContact CA-OG1 3.48Å; L280-T285 HydrophobicContact CD2-CG2 3.55Å; L280-T285 PolarHBondContact O-OG1 3.46Å; Y282-T285 VanDerWaalsContact O-CB 3.31Å; Y282-T285 WeakPolarHBondContact O-CB 3.38Å; Y282-T285 PolarHBondContact O-N 3.38Å; Y282-T285 PolarHBondContact O-OG1 2.85Å; P283-T285 PolarHBondContact O-N 2.9Å; T285-F287 VanDerWaalsContact C-N 3.28Å; T285-F287 PolarHBondContact O-N 2.88Å; T285-L288 PolarHBondContact O-N 2.87Å; T285-L289 HydrophobicContact CG2-CD1 3.82Å; T285-L289 HydrophobicContact CG2-CG 4.32Å; T285-L289 WeakPolarHBondContact O-CB 3.4Å; T285-L289 WeakPolarHBondContact O-CG 3.35Å; T285-L289 PolarHBondContact O-N 2.76Å; T285-W316 VanDerWaalsContact CB-CH2 3.45Å; T285-W316 HydrophobicContact CG2-CE3 4.46Å; T285-W316 HydrophobicContact CG2-CH2 4.06Å; T285-W316 HydrophobicContact CG2-CZ3 3.78Å
286	P	95.4	Very high	96.4	Very high	7 Å²	7	36 Å²	36	5%	0.045	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-34.4	177.3	-25.4	35.9	0	0	0	114.5	S284 R290 L312 W316	S284-P286 VanDerWaalsContact C-CD 3.49Å; S284-P286 VanDerWaalsContact C-N 3.34Å; S284-P286 VanDerWaalsContact O-N 3.15Å; P286-R290 WeakPolarHBondContact O-CG 3.43Å; P286-R290 PolarHBondContact O-NE 3.46Å; P286-L312 HydrophobicContact CB-CD2 4.19Å; P286-W316 HydrophobicContact CG-CB 4.23Å; P286-W316 HydrophobicContact CG-CD2 3.76Å; P286-W316 HydrophobicContact CG-CE3 4.32Å; P286-W316 HydrophobicContact CG-CG 3.67Å
287	F	96.7	Very high	96.4	Very high	81 Å²	81	36 Å²	36	36%	0.355	18%	0.182	S	C	.	.	H	α-helix	trans	-76.7	-46.7	177.4	-58.8	-86.4	0	0	0	110.9	Y246 D247 S284 T285 L289 R290 R291	Y246-F287 HydrophobicContact CD2-CD2 4Å; Y246-F287 AromaticContact CD2-CE2 3.76Å; Y246-F287 HydrophobicContact CD2-CE2 3.76Å; Y246-F287 HydrophobicContact CG-CD2 4.26Å; Y246-F287 HydrophobicContact CG-CE2 4.4Å; D247-F287 HydrophobicContact CB-CD1 3.81Å; D247-F287 HydrophobicContact CB-CE1 4.44Å; D247-F287 HydrophobicContact CB-CG 4.45Å; S284-F287 WeakPolarHBondContact O-CA 3.36Å; S284-F287 WeakPolarHBondContact O-CB 3.45Å; S284-F287 PolarHBondContact O-N 3.25Å; T285-F287 VanDerWaalsContact C-N 3.28Å; T285-F287 PolarHBondContact O-N 2.88Å; F287-L289 VanDerWaalsContact C-N 3.31Å; F287-L289 PolarHBondContact O-N 3.38Å; F287-R290 PolarHBondContact O-N 2.87Å; F287-R290 VanDerWaalsContact O-N 3.14Å; F287-R291 PolarHBondContact O-N 2.93Å
288	L	97.4	Very high	96.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-44.5	179.1	-64.9	172.9	0	0	0	111.4	F234 H237 I279 S284 T285 R290 R291 M292	F234-L288 HydrophobicContact CD1-CD2 4.1Å; H237-L288 HydrophobicContact CB-CD2 4.22Å; I279-L288 HydrophobicContact CG2-CB 4.21Å; I279-L288 HydrophobicContact CG2-CD1 3.89Å; S284-L288 WeakPolarHBondContact O-CG 3.37Å; S284-L288 PolarHBondContact O-N 3.4Å; T285-L288 PolarHBondContact O-N 2.87Å; L288-R290 VanDerWaalsContact C-N 3.33Å; L288-R290 PolarHBondContact O-N 3.31Å; L288-R291 PolarHBondContact O-N 3.34Å; L288-M292 WeakPolarHBondContact O-CB 3.44Å; L288-M292 WeakPolarHBondContact O-CG 3.36Å; L288-M292 PolarHBondContact O-N 2.86Å
289	L	97.5	Very high	96.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-36.5	179.5	-78.3	173.1	0	0	0	112.8	L280 T285 F287 A293 F298 F309 L312 I334	L280-L289 HydrophobicContact CD2-CD1 3.79Å; L280-L289 HydrophobicContact CD2-CD2 3.95Å; L280-L289 HydrophobicContact CD2-CG 3.97Å; T285-L289 HydrophobicContact CG2-CD1 3.82Å; T285-L289 HydrophobicContact CG2-CG 4.32Å; T285-L289 WeakPolarHBondContact O-CB 3.4Å; T285-L289 WeakPolarHBondContact O-CG 3.35Å; T285-L289 PolarHBondContact O-N 2.76Å; F287-L289 VanDerWaalsContact C-N 3.31Å; F287-L289 PolarHBondContact O-N 3.38Å; L289-A293 WeakPolarHBondContact O-CB 3.29Å; L289-A293 PolarHBondContact O-N 3.01Å; L289-F298 HydrophobicContact CB-CZ 4.34Å; L289-F298 HydrophobicContact CD2-CE1 4.22Å; L289-F298 HydrophobicContact CD2-CZ 3.88Å; L289-F298 VanDerWaalsContact O-CE1 3.31Å; L289-F298 WeakPolarHBondContact O-CE1 3.43Å; L289-F298 WeakPolarHBondContact O-CZ 3.46Å; L289-F309 HydrophobicContact CB-CE1 4.03Å; L289-L312 HydrophobicContact CD1-CD2 3.73Å; L289-I334 HydrophobicContact CD1-CG2 4.08Å; L289-I334 HydrophobicContact CD2-CD1 4.45Å
290	R	97.8	Very high	96.5	Very high	75 Å²	75	35 Å²	35	28%	0.283	19%	0.189	S	C	.	.	H	α-helix	trans	-65.1	-49	174	-69	169	-156.9	-88.1	-0.5	111.1	P286 F287 L288 M292 A293 D294 F309 D313	P286-R290 WeakPolarHBondContact O-CG 3.43Å; P286-R290 PolarHBondContact O-NE 3.46Å; F287-R290 PolarHBondContact O-N 2.87Å; F287-R290 VanDerWaalsContact O-N 3.14Å; L288-R290 VanDerWaalsContact C-N 3.33Å; L288-R290 PolarHBondContact O-N 3.31Å; R290-M292 VanDerWaalsContact C-N 3.29Å; R290-M292 PolarHBondContact O-N 3.48Å; R290-A293 CarbonylContact O-C 3.6Å; R290-A293 WeakPolarHBondContact O-CA 3.45Å; R290-A293 WeakPolarHBondContact O-CB 3.29Å; R290-A293 PolarHBondContact O-N 3.26Å; R290-D294 VanDerWaalsContact O-CG 3.24Å; R290-D294 PolarHBondContact O-N 2.83Å; R290-F309 HydrophobicContact CB-CZ 4.4Å; R290-F309 HydrophobicContact CG-CD1 4.07Å; R290-F309 HydrophobicContact CG-CD2 4.1Å; R290-F309 HydrophobicContact CG-CE1 3.97Å; R290-F309 HydrophobicContact CG-CE2 3.96Å; R290-F309 HydrophobicContact CG-CG 4.15Å; R290-F309 HydrophobicContact CG-CZ 3.9Å; R290-F309 VanDerWaalsContact NH1-CB 3.34Å; R290-D313 IonicContact CZ-OD1 2.87Å; R290-D313 IonicContact CZ-OD2 2.88Å; R290-D313 IonicContact NH2-OD1 3.29Å; R290-D313 PolarHBondContact NH2-OD1 3.35Å; R290-D313 IonicContact NH2-OD2 3.94Å; R290-D313 PolarHBondContact NH2-OD2 3.15Å
291	R	97.7	Very high	96.5	Very high	51 Å²	51	35 Å²	35	19%	0.192	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-34.7	179	-63.3	-58.9	-174.4	157.5	1.5	112.7	F234 D247 E251 F287 L288 A295	F234-R291 HydrophobicContact CE1-CB 3.9Å; D247-R291 VanDerWaalsContact CG-NH2 3.27Å; D247-R291 IonicContact OD1-CZ 3.21Å; D247-R291 IonicContact OD1-NE 3.69Å; D247-R291 PolarHBondContact OD1-NE 3.18Å; D247-R291 IonicContact OD1-NH2 2.75Å; D247-R291 PolarHBondContact OD1-NH2 3.43Å; D247-R291 IonicContact OD2-CZ 2.79Å; D247-R291 IonicContact OD2-NE 3.41Å; D247-R291 IonicContact OD2-NH2 3.8Å; D247-R291 PolarHBondContact OD2-NH2 3.18Å; E251-R291 IonicContact OE1-NH1 3.73Å; F287-R291 PolarHBondContact O-N 2.93Å; L288-R291 PolarHBondContact O-N 3.34Å; R291-A295 VanDerWaalsContact O-CB 3.23Å; R291-A295 WeakPolarHBondContact O-CB 3.47Å; R291-A295 PolarHBondContact O-N 3.31Å
292	M	98.3	Very high	96.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67	-37.5	172	-72	176	61.8	0	0	112.3	L231 F234 L276 I279 L288 R290 G296 L297 F298 L301	L231-M292 HydrophobicContact CD2-CE 4.1Å; F234-M292 HydrophobicContact CB-CG 4.48Å; F234-M292 HydrophobicContact CB-SD 4.36Å; F234-M292 HydrophobicContact CD1-CG 3.67Å; F234-M292 HydrophobicContact CD2-CG 3.82Å; F234-M292 HydrophobicContact CE1-CG 3.76Å; F234-M292 HydrophobicContact CE2-CG 3.94Å; F234-M292 HydrophobicContact CG-CG 3.71Å; F234-M292 HydrophobicContact CG-SD 4.21Å; F234-M292 HydrophobicContact CZ-CG 3.89Å; L276-M292 HydrophobicContact CD1-CE 4.05Å; I279-M292 HydrophobicContact CD1-CE 4.4Å; I279-M292 HydrophobicContact CD1-SD 4.14Å; I279-M292 HydrophobicContact CG2-SD 4.15Å; L288-M292 WeakPolarHBondContact O-CB 3.44Å; L288-M292 WeakPolarHBondContact O-CG 3.36Å; L288-M292 PolarHBondContact O-N 2.86Å; R290-M292 VanDerWaalsContact C-N 3.29Å; R290-M292 PolarHBondContact O-N 3.48Å; M292-G296 PolarHBondContact O-N 3.35Å; M292-L297 HydrophobicContact CB-CB 4.43Å; M292-L297 HydrophobicContact CB-CD1 4.19Å; M292-L297 HydrophobicContact CE-CD1 4.39Å; M292-L297 HydrophobicContact CG-CD1 4.04Å; M292-L297 VanDerWaalsContact O-CB 3.32Å; M292-L297 WeakPolarHBondContact O-CB 3.5Å; M292-L297 WeakPolarHBondContact O-CG 3.28Å; M292-L297 PolarHBondContact O-N 3.24Å; M292-F298 HydrophobicContact CB-CD1 4.26Å; M292-F298 HydrophobicContact CB-CE1 3.77Å; M292-L301 HydrophobicContact CE-CD1 3.75Å
293	A	97.6	Very high	96.8	Very high	27 Å²	27	30 Å²	30	22%	0.223	17%	0.168	C	C	.	.	H	α-helix	trans	-68.3	-46.5	174.7	0	0	0	0	0	111.3	L289 R290 A295 G296 F298 F309	L289-A293 WeakPolarHBondContact O-CB 3.29Å; L289-A293 PolarHBondContact O-N 3.01Å; R290-A293 CarbonylContact O-C 3.6Å; R290-A293 WeakPolarHBondContact O-CA 3.45Å; R290-A293 WeakPolarHBondContact O-CB 3.29Å; R290-A293 PolarHBondContact O-N 3.26Å; A293-A295 VanDerWaalsContact C-N 3.26Å; A293-A295 PolarHBondContact O-N 3.48Å; A293-G296 WeakPolarHBondContact O-CA 3.3Å; A293-G296 PolarHBondContact O-N 2.84Å; A293-F298 HydrophobicContact CB-CD1 3.98Å; A293-F298 HydrophobicContact CB-CD2 4.36Å; A293-F298 HydrophobicContact CB-CE1 3.84Å; A293-F298 HydrophobicContact CB-CE2 4.23Å; A293-F298 HydrophobicContact CB-CG 4.25Å; A293-F298 HydrophobicContact CB-CZ 3.96Å; A293-F309 HydrophobicContact CB-CE2 4.31Å; A293-F309 HydrophobicContact CB-CZ 3.83Å
294	D	96.9	Very high	97	Very high	121 Å²	121	27.5 Å²	27.5	65%	0.647	15%	0.152	S	C	*	.	H	α-helix	trans	-59.7	-37	176.9	-64.7	-22.4	0	0	0	111.9	R290 G296	R290-D294 VanDerWaalsContact O-CG 3.24Å; R290-D294 PolarHBondContact O-N 2.83Å; D294-G296 PolarHBondContact O-N 3Å
295	A	97.2	Very high	96.9	Very high	10 Å²	10	35.3 Å²	35.3	8%	0.083	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	2.9	174.9	0	0	0	0	0	113.9	I257 A258 R291 A293 L297	I257-A295 HydrophobicContact CG2-CB 4.2Å; A258-A295 HydrophobicContact CB-CB 4.41Å; R291-A295 VanDerWaalsContact O-CB 3.23Å; R291-A295 WeakPolarHBondContact O-CB 3.47Å; R291-A295 PolarHBondContact O-N 3.31Å; A293-A295 VanDerWaalsContact C-N 3.26Å; A293-A295 PolarHBondContact O-N 3.48Å; A295-L297 HydrophobicContact CB-CD2 4.43Å; A295-L297 HydrophobicContact CB-CG 4.21Å; A295-L297 PolarHBondContact O-N 3.4Å
296	G	97.4	Very high	96.9	Very high	35 Å²	35	41.4 Å²	41.4	36%	0.361	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	20.3	176.2	0	0	0	0	0	114.8	M292 A293 D294 H300	M292-G296 PolarHBondContact O-N 3.35Å; A293-G296 WeakPolarHBondContact O-CA 3.3Å; A293-G296 PolarHBondContact O-N 2.84Å; D294-G296 PolarHBondContact O-N 3Å; G296-H300 PolarHBondContact O-CD2 3.22Å
297	L	98.2	Very high	97	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-76.9	-24.2	-174.9	-55	-166.7	0	0	0	113.6	I230 L231 F234 I257 A261 L264 M292 A295 V299 H300 L301	I230-L297 HydrophobicContact CG2-CD1 3.55Å; I230-L297 HydrophobicContact CG2-CD2 3.92Å; I230-L297 HydrophobicContact CG2-CG 4.42Å; L231-L297 HydrophobicContact CD2-CD1 4.32Å; F234-L297 HydrophobicContact CD2-CD1 4.01Å; F234-L297 HydrophobicContact CE2-CD1 3.51Å; F234-L297 HydrophobicContact CZ-CD1 4.28Å; I257-L297 HydrophobicContact CG2-CD2 4.09Å; A261-L297 HydrophobicContact CB-CD2 3.51Å; L264-L297 HydrophobicContact CD1-CB 4.48Å; L264-L297 HydrophobicContact CD1-CD2 4.03Å; M292-L297 HydrophobicContact CB-CB 4.43Å; M292-L297 HydrophobicContact CB-CD1 4.19Å; M292-L297 HydrophobicContact CE-CD1 4.39Å; M292-L297 HydrophobicContact CG-CD1 4.04Å; M292-L297 VanDerWaalsContact O-CB 3.32Å; M292-L297 WeakPolarHBondContact O-CB 3.5Å; M292-L297 WeakPolarHBondContact O-CG 3.28Å; M292-L297 PolarHBondContact O-N 3.24Å; A295-L297 HydrophobicContact CB-CD2 4.43Å; A295-L297 HydrophobicContact CB-CG 4.21Å; A295-L297 PolarHBondContact O-N 3.4Å; L297-V299 PolarHBondContact O-N 3.14Å; L297-H300 PolarHBondContact O-N 3.02Å; L297-H300 VanDerWaalsContact O-N 3.11Å; L297-L301 HydrophobicContact CB-CD1 4.37Å; L297-L301 WeakPolarHBondContact O-CG 3.32Å; L297-L301 PolarHBondContact O-N 3.03Å
298	F	97.9	Very high	97	Very high	10 Å²	10	40.8 Å²	40.8	4%	0.044	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-44.7	-169	-86.4	38.8	0	0	0	112.3	L289 M292 A293 H300 L301 G302 L303 P304 P307 F309 I334	L289-F298 HydrophobicContact CB-CZ 4.34Å; L289-F298 HydrophobicContact CD2-CE1 4.22Å; L289-F298 HydrophobicContact CD2-CZ 3.88Å; L289-F298 VanDerWaalsContact O-CE1 3.31Å; L289-F298 WeakPolarHBondContact O-CE1 3.43Å; L289-F298 WeakPolarHBondContact O-CZ 3.46Å; M292-F298 HydrophobicContact CB-CD1 4.26Å; M292-F298 HydrophobicContact CB-CE1 3.77Å; A293-F298 HydrophobicContact CB-CD1 3.98Å; A293-F298 HydrophobicContact CB-CD2 4.36Å; A293-F298 HydrophobicContact CB-CE1 3.84Å; A293-F298 HydrophobicContact CB-CE2 4.23Å; A293-F298 HydrophobicContact CB-CG 4.25Å; A293-F298 HydrophobicContact CB-CZ 3.96Å; F298-H300 PolarHBondContact O-N 3.38Å; F298-L301 CarbonylContact O-C 3.03Å; F298-L301 PolarHBondContact O-N 2.95Å; F298-G302 PolarHBondContact O-N 2.87Å; F298-G302 VanDerWaalsContact O-N 3.09Å; F298-L303 HydrophobicContact CB-CB 3.77Å; F298-L303 HydrophobicContact CD1-CB 4.42Å; F298-L303 HydrophobicContact CD1-CD1 3.81Å; F298-L303 HydrophobicContact CD2-CB 3.57Å; F298-L303 HydrophobicContact CD2-CD1 4.18Å; F298-L303 HydrophobicContact CE1-CD1 3.96Å; F298-L303 HydrophobicContact CE2-CB 4.24Å; F298-L303 HydrophobicContact CE2-CD1 4.32Å; F298-L303 HydrophobicContact CG-CB 3.67Å; F298-L303 HydrophobicContact CG-CD1 3.93Å; F298-L303 HydrophobicContact CG-CG 4.46Å; F298-L303 HydrophobicContact CZ-CD1 4.23Å; F298-L303 PolarHBondContact O-N 2.72Å; F298-P304 WeakPolarHBondContact CD2-O 3.43Å; F298-P307 HydrophobicContact CD2-CB 4.46Å; F298-P307 HydrophobicContact CD2-CG 4.29Å; F298-P307 HydrophobicContact CE2-CB 3.81Å; F298-P307 HydrophobicContact CE2-CG 3.85Å; F298-F309 HydrophobicContact CZ-CZ 4.4Å; F298-I334 HydrophobicContact CE2-CD1 4.01Å; F298-I334 HydrophobicContact CZ-CD1 4.33Å
299	V	96.5	Very high	96.9	Very high	92 Å²	92	42.4 Å²	42.4	56%	0.558	23%	0.23	S	C	*	.	H	α-helix	trans	-58.9	-36	177.6	67	0	0	0	0	112.2	L297 L301	L297-V299 PolarHBondContact O-N 3.14Å; V299-L301 VanDerWaalsContact C-N 3.29Å; V299-L301 PolarHBondContact O-N 3.24Å
300	H	97.5	Very high	96.8	Very high	40 Å²	40	49.9 Å²	49.9	19%	0.185	26%	0.262	C	S	.	.	H	α-helix	trans	-79.3	-12.5	179.9	-59.1	-58.7	0	0	0	113.6	A261 N262 L264 S265 G296 L297 F298 R347	A261-H300 VanDerWaalsContact C-CD2 3.47Å; A261-H300 PolarHBondContact O-CD2 3.46Å; A261-H300 VanDerWaalsContact O-CD2 3.3Å; N262-H300 VanDerWaalsContact CA-CE1 3.42Å; N262-H300 WeakPolarHBondContact CA-CE1 3.34Å; N262-H300 WeakPolarHBondContact CA-NE2 3.37Å; L264-H300 HydrophobicContact CB-CB 4.01Å; S265-H300 PolarHBondContact OG-ND1 3.46Å; G296-H300 PolarHBondContact O-CD2 3.22Å; L297-H300 PolarHBondContact O-N 3.02Å; L297-H300 VanDerWaalsContact O-N 3.11Å; F298-H300 PolarHBondContact O-N 3.38Å; H300-R347 PolarHBondContact O-NE 3.16Å
301	L	97.6	Very high	96.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-105.6	-3.4	178	-63.9	173.7	0	0	0	113.1	L231 C272 M292 L297 F298 V299 L303 L348	L231-L301 HydrophobicContact CD1-CD2 4.11Å; L231-L301 HydrophobicContact CD2-CD1 4.07Å; L231-L301 HydrophobicContact CD2-CD2 4.48Å; C272-L301 HydrophobicContact CB-CD2 4.01Å; M292-L301 HydrophobicContact CE-CD1 3.75Å; L297-L301 HydrophobicContact CB-CD1 4.37Å; L297-L301 WeakPolarHBondContact O-CG 3.32Å; L297-L301 PolarHBondContact O-N 3.03Å; F298-L301 CarbonylContact O-C 3.03Å; F298-L301 PolarHBondContact O-N 2.95Å; V299-L301 VanDerWaalsContact C-N 3.29Å; V299-L301 PolarHBondContact O-N 3.24Å; L301-L303 VanDerWaalsContact C-N 3.26Å; L301-L303 HydrophobicContact CB-CD1 3.96Å; L301-L303 HydrophobicContact CB-CG 3.95Å; L301-L303 HydrophobicContact CD1-CD1 3.96Å; L301-L348 HydrophobicContact CD2-CD2 4.36Å; L301-L348 WeakPolarHBondContact O-CG 3.47Å
302	G	96.5	Very high	96.5	Very high	11 Å²	11	45.2 Å²	45.2	11%	0.113	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	24.7	-174.6	0	0	0	0	0	112.8	F298 L344	F298-G302 PolarHBondContact O-N 2.87Å; F298-G302 VanDerWaalsContact O-N 3.09Å; G302-L344 VanDerWaalsContact O-CA 3.3Å; G302-L344 WeakPolarHBondContact O-CA 3.48Å; G302-L344 WeakPolarHBondContact O-CB 3.41Å; G302-L344 PolarHBondContact O-N 3.17Å
303	L	97.5	Very high	96.3	Very high	10 Å²	10	48 Å²	48	5%	0.052	26%	0.261	C	S	.	.			trans	-85.3	158.5	174.2	-67.9	173.4	0	0	0	110.3	F298 L301 L331 I334 L344	F298-L303 HydrophobicContact CB-CB 3.77Å; F298-L303 HydrophobicContact CD1-CB 4.42Å; F298-L303 HydrophobicContact CD1-CD1 3.81Å; F298-L303 HydrophobicContact CD2-CB 3.57Å; F298-L303 HydrophobicContact CD2-CD1 4.18Å; F298-L303 HydrophobicContact CE1-CD1 3.96Å; F298-L303 HydrophobicContact CE2-CB 4.24Å; F298-L303 HydrophobicContact CE2-CD1 4.32Å; F298-L303 HydrophobicContact CG-CB 3.67Å; F298-L303 HydrophobicContact CG-CD1 3.93Å; F298-L303 HydrophobicContact CG-CG 4.46Å; F298-L303 HydrophobicContact CZ-CD1 4.23Å; F298-L303 PolarHBondContact O-N 2.72Å; L301-L303 VanDerWaalsContact C-N 3.26Å; L301-L303 HydrophobicContact CB-CD1 3.96Å; L301-L303 HydrophobicContact CB-CG 3.95Å; L301-L303 HydrophobicContact CD1-CD1 3.96Å; L303-L331 HydrophobicContact CD2-CD2 3.6Å; L303-I334 HydrophobicContact CD2-CD1 4.22Å; L303-L344 HydrophobicContact CD2-CD1 3.77Å; L303-L344 HydrophobicContact CG-CD1 4.36Å
304	P	96.3	Very high	96	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.052	27%	0.268	C	S	.	.			trans	-62.9	139.9	-176.1	24.8	-35.5	0	0	0	112.5	F298 N306 P307 M335	F298-P304 WeakPolarHBondContact CD2-O 3.43Å; P304-N306 VanDerWaalsContact C-N 3.26Å; P304-N306 PolarHBondContact O-N 3.25Å; P304-P307 HydrophobicContact CG-CB 4.36Å; P304-M335 HydrophobicContact CG-CG 4.12Å
305	E	92.5	Very high	95.7	Very high	164 Å²	164	44.7 Å²	44.7	77%	0.766	24%	0.238	S	C	*	.	S	Bend	trans	-65.1	-32	176.7	-67.6	-178.2	176	0	0	112.4	P307	E305-P307 VanDerWaalsContact O-CD 3.31Å; E305-P307 WeakPolarHBondContact O-CD 3.47Å
306	N	95.3	Very high	95.4	Very high	128 Å²	128	45 Å²	45	68%	0.684	24%	0.237	S	C	*	.	S	Bend	trans	-119.3	77.5	-179.9	-63.3	-71.3	0	0	0	110.3	P304	P304-N306 VanDerWaalsContact C-N 3.26Å; P304-N306 PolarHBondContact O-N 3.25Å
307	P	96.8	Very high	95	Very high	25 Å²	25	49.2 Å²	49.2	16%	0.162	25%	0.252	C	S	.	.			trans	-67.6	140.3	-176.5	26.9	-35.1	0	0	0	113.1	F298 P304 E305 F309 I334	F298-P307 HydrophobicContact CD2-CB 4.46Å; F298-P307 HydrophobicContact CD2-CG 4.29Å; F298-P307 HydrophobicContact CE2-CB 3.81Å; F298-P307 HydrophobicContact CE2-CG 3.85Å; P304-P307 HydrophobicContact CG-CB 4.36Å; E305-P307 VanDerWaalsContact O-CD 3.31Å; E305-P307 WeakPolarHBondContact O-CD 3.47Å; P307-F309 VanDerWaalsContact C-N 3.27Å; P307-F309 HydrophobicContact CB-CD1 4.35Å; P307-F309 HydrophobicContact CB-CE1 3.98Å; P307-F309 HydrophobicContact CB-CE2 4.23Å; P307-F309 HydrophobicContact CB-CZ 3.93Å; P307-F309 HydrophobicContact CG-CD1 4.49Å; P307-F309 HydrophobicContact CG-CD2 3.99Å; P307-F309 HydrophobicContact CG-CE1 3.93Å; P307-F309 HydrophobicContact CG-CE2 3.39Å; P307-F309 HydrophobicContact CG-CZ 3.34Å; P307-F309 PolarHBondContact O-N 2.82Å; P307-I334 CarbonylContact C-O 3.58Å; P307-I334 VanDerWaalsContact CA-O 3.31Å; P307-I334 WeakPolarHBondContact CA-O 3.35Å; P307-I334 HydrophobicContact CB-CB 4.07Å
308	N	96.3	Very high	94.2	Very high	49 Å²	49	54.1 Å²	54.1	26%	0.262	27%	0.273	S	S	.	.			trans	-80.2	68.5	177.1	-166.4	-5.8	0	0	0	112.5	K310 E311 L312 I334 T336	N308-K310 PolarHBondContact O-N 3.28Å; N308-E311 HydrophobicContact CB-CB 4.23Å; N308-E311 VanDerWaalsContact CG-CB 3.4Å; N308-E311 VanDerWaalsContact ND2-CB 3.28Å; N308-E311 WeakPolarHBondContact ND2-CB 3.45Å; N308-E311 PolarHBondContact ND2-OE2 3.44Å; N308-E311 PolarHBondContact O-N 3.44Å; N308-E311 PolarHBondContact OD1-N 3.23Å; N308-E311 VanDerWaalsContact OD1-N 3.14Å; N308-L312 PolarHBondContact O-N 3.17Å; N308-L312 VanDerWaalsContact O-N 3.11Å; N308-I334 PolarHBondContact N-O 3.3Å; N308-T336 HydrophobicContact CB-CG2 4.31Å
309	F	96.5	Very high	93.3	Very high	35 Å²	35	55.1 Å²	55.1	15%	0.154	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-26.7	-179.1	-68.5	-49.1	0	0	0	114.3	L289 R290 A293 F298 P307 L312 D313 I334	L289-F309 HydrophobicContact CB-CE1 4.03Å; R290-F309 HydrophobicContact CB-CZ 4.4Å; R290-F309 HydrophobicContact CG-CD1 4.07Å; R290-F309 HydrophobicContact CG-CD2 4.1Å; R290-F309 HydrophobicContact CG-CE1 3.97Å; R290-F309 HydrophobicContact CG-CE2 3.96Å; R290-F309 HydrophobicContact CG-CG 4.15Å; R290-F309 HydrophobicContact CG-CZ 3.9Å; R290-F309 VanDerWaalsContact NH1-CB 3.34Å; A293-F309 HydrophobicContact CB-CE2 4.31Å; A293-F309 HydrophobicContact CB-CZ 3.83Å; F298-F309 HydrophobicContact CZ-CZ 4.4Å; P307-F309 VanDerWaalsContact C-N 3.27Å; P307-F309 HydrophobicContact CB-CD1 4.35Å; P307-F309 HydrophobicContact CB-CE1 3.98Å; P307-F309 HydrophobicContact CB-CE2 4.23Å; P307-F309 HydrophobicContact CB-CZ 3.93Å; P307-F309 HydrophobicContact CG-CD1 4.49Å; P307-F309 HydrophobicContact CG-CD2 3.99Å; P307-F309 HydrophobicContact CG-CE1 3.93Å; P307-F309 HydrophobicContact CG-CE2 3.39Å; P307-F309 HydrophobicContact CG-CZ 3.34Å; P307-F309 PolarHBondContact O-N 2.82Å; F309-L312 HydrophobicContact CD1-CD2 4.22Å; F309-L312 WeakPolarHBondContact O-CB 3.19Å; F309-L312 PolarHBondContact O-N 3.15Å; F309-D313 VanDerWaalsContact O-CG 3.3Å; F309-D313 PolarHBondContact O-N 3.4Å; F309-I334 HydrophobicContact CD1-CG2 4.37Å; F309-I334 HydrophobicContact CE1-CG2 4.49Å
310	K	95.3	Very high	92.4	Very high	156 Å²	156	52.4 Å²	52.4	68%	0.678	27%	0.268	S	S	*	.	H	α-helix	trans	-64.9	-44.5	176.1	-177.6	-178.7	177.8	-176.3	0	110.9	N308 D313 I314	N308-K310 PolarHBondContact O-N 3.28Å; K310-D313 PolarHBondContact O-N 3.4Å; K310-I314 HydrophobicContact CG-CD1 4.15Å; K310-I314 WeakPolarHBondContact O-CD1 3.32Å; K310-I314 VanDerWaalsContact O-CG1 3.26Å; K310-I314 WeakPolarHBondContact O-CG1 3.21Å; K310-I314 PolarHBondContact O-N 2.57Å
311	E	94	Very high	91.5	Very high	27 Å²	27	50.6 Å²	50.6	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-40.9	175.7	-175.6	163.4	-167.3	0	0	111.2	N308 D313 I314 I315 R365 Y406	N308-E311 HydrophobicContact CB-CB 4.23Å; N308-E311 VanDerWaalsContact CG-CB 3.4Å; N308-E311 VanDerWaalsContact ND2-CB 3.28Å; N308-E311 WeakPolarHBondContact ND2-CB 3.45Å; N308-E311 PolarHBondContact ND2-OE2 3.44Å; N308-E311 PolarHBondContact O-N 3.44Å; N308-E311 PolarHBondContact OD1-N 3.23Å; N308-E311 VanDerWaalsContact OD1-N 3.14Å; E311-D313 PolarHBondContact O-N 3.49Å; E311-I314 PolarHBondContact O-N 2.89Å; E311-I315 HydrophobicContact CG-CG1 4Å; E311-I315 WeakPolarHBondContact O-CB 3.31Å; E311-I315 VanDerWaalsContact O-CG1 3.31Å; E311-I315 WeakPolarHBondContact O-CG1 3.46Å; E311-I315 PolarHBondContact O-N 3.34Å; E311-R365 IonicContact OE1-CZ 2.63Å; E311-R365 IonicContact OE1-NE 3.94Å; E311-R365 IonicContact OE1-NH1 2.74Å; E311-R365 IonicContact OE2-CZ 3.68Å; E311-R365 IonicContact OE2-NH1 3.73Å; E311-R365 PolarHBondContact OE2-NH1 2.76Å; E311-R365 IonicContact OE2-NH2 2.89Å; E311-Y406 PolarHBondContact OE1-OH 2.81Å
312	L	94.9	Very high	90.5	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-53.3	-50.1	172.6	179.3	65.8	0	0	0	112.3	P286 L289 N308 F309 I314 I315 W316 A333 I334	P286-L312 HydrophobicContact CB-CD2 4.19Å; L289-L312 HydrophobicContact CD1-CD2 3.73Å; N308-L312 PolarHBondContact O-N 3.17Å; N308-L312 VanDerWaalsContact O-N 3.11Å; F309-L312 HydrophobicContact CD1-CD2 4.22Å; F309-L312 WeakPolarHBondContact O-CB 3.19Å; F309-L312 PolarHBondContact O-N 3.15Å; L312-I314 VanDerWaalsContact C-N 3.3Å; L312-I314 PolarHBondContact O-N 3.2Å; L312-I315 PolarHBondContact O-N 3.46Å; L312-W316 HydrophobicContact CD1-CE3 4.46Å; L312-W316 WeakPolarHBondContact O-CB 3.41Å; L312-W316 PolarHBondContact O-N 2.77Å; L312-A333 HydrophobicContact CB-CB 4.37Å; L312-A333 HydrophobicContact CD1-CB 4Å; L312-I334 HydrophobicContact CB-CG2 4.11Å; L312-I334 HydrophobicContact CD1-CG2 4.44Å; L312-I334 HydrophobicContact CD2-CG2 3.82Å; L312-I334 HydrophobicContact CG-CG2 4.35Å
313	D	93.9	Very high	89.7	Confident	59 Å²	59	57 Å²	57	32%	0.316	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-39.9	179.9	-65	-32.7	0	0	0	112.1	R290 F309 K310 E311 N317	R290-D313 IonicContact CZ-OD1 2.87Å; R290-D313 IonicContact CZ-OD2 2.88Å; R290-D313 IonicContact NH2-OD1 3.29Å; R290-D313 PolarHBondContact NH2-OD1 3.35Å; R290-D313 IonicContact NH2-OD2 3.94Å; R290-D313 PolarHBondContact NH2-OD2 3.15Å; F309-D313 VanDerWaalsContact O-CG 3.3Å; F309-D313 PolarHBondContact O-N 3.4Å; K310-D313 PolarHBondContact O-N 3.4Å; E311-D313 PolarHBondContact O-N 3.49Å; D313-N317 PolarHBondContact O-N 3.04Å; D313-N317 PolarHBondContact O-ND2 3.48Å
314	I	91.9	Very high	89	Confident	72 Å²	72	58.9 Å²	58.9	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-50.6	178.9	-69.4	166.9	0	0	0	109.9	K310 E311 L312 K318	K310-I314 HydrophobicContact CG-CD1 4.15Å; K310-I314 WeakPolarHBondContact O-CD1 3.32Å; K310-I314 VanDerWaalsContact O-CG1 3.26Å; K310-I314 WeakPolarHBondContact O-CG1 3.21Å; K310-I314 PolarHBondContact O-N 2.57Å; E311-I314 PolarHBondContact O-N 2.89Å; L312-I314 VanDerWaalsContact C-N 3.3Å; L312-I314 PolarHBondContact O-N 3.2Å; I314-K318 HydrophobicContact CG2-CD 3.69Å; I314-K318 HydrophobicContact CG2-CG 4.37Å; I314-K318 VanDerWaalsContact O-CB 3.27Å; I314-K318 WeakPolarHBondContact O-CB 3.29Å; I314-K318 WeakPolarHBondContact O-CG 3.35Å; I314-K318 PolarHBondContact O-N 3.2Å
315	I	90.2	Very high	88.4	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-39.4	-176.1	-64.6	-43.4	0	0	0	111.3	E311 L312 N317 K318 L321 A333 Y406	E311-I315 HydrophobicContact CG-CG1 4Å; E311-I315 WeakPolarHBondContact O-CB 3.31Å; E311-I315 VanDerWaalsContact O-CG1 3.31Å; E311-I315 WeakPolarHBondContact O-CG1 3.46Å; E311-I315 PolarHBondContact O-N 3.34Å; L312-I315 PolarHBondContact O-N 3.46Å; I315-N317 VanDerWaalsContact C-N 3.29Å; I315-N317 PolarHBondContact O-N 2.97Å; I315-K318 HydrophobicContact CD1-CD 4.23Å; I315-K318 PolarHBondContact O-N 2.76Å; I315-L321 HydrophobicContact CG2-CD1 3.33Å; I315-A333 HydrophobicContact CB-CB 4.49Å; I315-Y406 HydrophobicContact CD1-CD1 4.19Å; I315-Y406 HydrophobicContact CD1-CE1 3.94Å; I315-Y406 VanDerWaalsContact CD1-O 3.28Å; I315-Y406 WeakPolarHBondContact CD1-O 3.38Å; I315-Y406 HydrophobicContact CG1-CD1 4.42Å; I315-Y406 HydrophobicContact CG1-CE1 3.98Å; I315-Y406 HydrophobicContact CG1-CE2 4.23Å; I315-Y406 HydrophobicContact CG2-CD2 4.07Å; I315-Y406 HydrophobicContact CG2-CE2 4.3Å; I315-Y406 HydrophobicContact CG2-CG 4.33Å
316	W	90.8	Very high	88.4	Confident	16 Å²	16	53.3 Å²	53.3	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-40.4	178.7	-166.6	-95.5	0	0	0	112.2	Y282 T285 P286 L312 S322 P325	Y282-W316 WeakPolarHBondContact O-CH2 3.44Å; Y282-W316 WeakPolarHBondContact O-CZ2 3.4Å; T285-W316 VanDerWaalsContact CB-CH2 3.45Å; T285-W316 HydrophobicContact CG2-CE3 4.46Å; T285-W316 HydrophobicContact CG2-CH2 4.06Å; T285-W316 HydrophobicContact CG2-CZ3 3.78Å; P286-W316 HydrophobicContact CG-CB 4.23Å; P286-W316 HydrophobicContact CG-CD2 3.76Å; P286-W316 HydrophobicContact CG-CE3 4.32Å; P286-W316 HydrophobicContact CG-CG 3.67Å; L312-W316 HydrophobicContact CD1-CE3 4.46Å; L312-W316 WeakPolarHBondContact O-CB 3.41Å; L312-W316 PolarHBondContact O-N 2.77Å; W316-S322 WeakPolarHBondContact O-CB 3.39Å; W316-P325 HydrophobicContact CH2-CB 3.91Å; W316-P325 HydrophobicContact CH2-CG 4.35Å; W316-P325 HydrophobicContact CZ3-CB 4.18Å
317	N	87.9	Confident	88.4	Confident	125 Å²	125	48 Å²	48	67%	0.668	27%	0.268	S	S	*	.	H	α-helix	trans	-88.7	-4.5	-177.5	-66.2	-51	0	0	0	114.1	D313 I315	D313-N317 PolarHBondContact O-N 3.04Å; D313-N317 PolarHBondContact O-ND2 3.48Å; I315-N317 VanDerWaalsContact C-N 3.29Å; I315-N317 PolarHBondContact O-N 2.97Å
318	K	82.2	Confident	88.4	Confident	103 Å²	103	46.9 Å²	46.9	45%	0.448	26%	0.261	S	S	.	.	S	Bend	trans	-86.7	-1.3	-171.8	-100	-179.3	178.3	-179.9	0	115.9	I314 I315 G408	I314-K318 HydrophobicContact CG2-CD 3.69Å; I314-K318 HydrophobicContact CG2-CG 4.37Å; I314-K318 VanDerWaalsContact O-CB 3.27Å; I314-K318 WeakPolarHBondContact O-CB 3.29Å; I314-K318 WeakPolarHBondContact O-CG 3.35Å; I314-K318 PolarHBondContact O-N 3.2Å; I315-K318 HydrophobicContact CD1-CD 4.23Å; I315-K318 PolarHBondContact O-N 2.76Å; K318-G408 VanDerWaalsContact O-CA 3.3Å; K318-G408 WeakPolarHBondContact O-CA 3.4Å
319	G	78.2	Confident	88.3	Confident	30 Å²	30	44.6 Å²	44.6	31%	0.309	25%	0.249	S	C	.	.	S	Bend	trans	166.7	-132.6	-179	0	0	0	0	0	113.3	L321 S322	G319-L321 VanDerWaalsContact C-N 3.28Å; G319-L321 PolarHBondContact O-N 2.9Å; G319-S322 PolarHBondContact O-OG 2.9Å
320	I	79.2	Confident	88.2	Confident	35 Å²	35	43.1 Å²	43.1	18%	0.179	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-76.4	-10.8	-168.6	67.6	159.8	0	0	0	114.4	S322 S323 A324 K405 I414	I320-S322 VanDerWaalsContact C-N 3.27Å; I320-S322 PolarHBondContact O-N 2.79Å; I320-S323 CarbonylContact O-C 3.5Å; I320-S323 PolarHBondContact O-N 2.91Å; I320-S323 PolarHBondContact O-OG 3.25Å; I320-S323 VanDerWaalsContact O-OG 3.06Å; I320-A324 PolarHBondContact O-N 2.97Å; I320-K405 HydrophobicContact CD1-CB 4.4Å; I320-K405 HydrophobicContact CD1-CD 3.55Å; I320-K405 HydrophobicContact CD1-CG 3.71Å; I320-K405 HydrophobicContact CG1-CB 4.16Å; I320-K405 HydrophobicContact CG1-CD 4.07Å; I320-K405 HydrophobicContact CG1-CG 4.02Å; I320-I414 HydrophobicContact CD1-CD1 3.53Å; I320-I414 HydrophobicContact CG1-CD1 4.03Å
321	L	77.6	Confident	88.3	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.016	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-65.2	-29.3	-177.3	-76	171.2	0	0	0	113.5	I315 G319 S323 P325 T329 K405	I315-L321 HydrophobicContact CG2-CD1 3.33Å; G319-L321 VanDerWaalsContact C-N 3.28Å; G319-L321 PolarHBondContact O-N 2.9Å; L321-S323 VanDerWaalsContact C-N 3.28Å; L321-S323 PolarHBondContact O-N 2.88Å; L321-P325 WeakPolarHBondContact O-CA 3.41Å; L321-P325 WeakPolarHBondContact O-CB 3.3Å; L321-P325 WeakPolarHBondContact O-CD 3.46Å; L321-T329 HydrophobicContact CD1-CG2 3.81Å; L321-T329 HydrophobicContact CD2-CG2 3.84Å; L321-T329 HydrophobicContact CG-CG2 4.47Å; L321-K405 HydrophobicContact CD2-CB 4.13Å; L321-K405 HydrophobicContact CG-CB 4.16Å
322	S	77	Confident	88.4	Confident	51 Å²	51	34.4 Å²	34.4	36%	0.357	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-68.4	-25.9	172.9	57.7	0	0	0	0	113.5	W316 G319 I320	W316-S322 WeakPolarHBondContact O-CB 3.39Å; G319-S322 PolarHBondContact O-OG 2.9Å; I320-S322 VanDerWaalsContact C-N 3.27Å; I320-S322 PolarHBondContact O-N 2.79Å
323	S	78.8	Confident	88.4	Confident	95 Å²	95	34.4 Å²	34.4	66%	0.664	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-25.2	-176.5	52.7	0	0	0	0	114.1	I320 L321	I320-S323 CarbonylContact O-C 3.5Å; I320-S323 PolarHBondContact O-N 2.91Å; I320-S323 PolarHBondContact O-OG 3.25Å; I320-S323 VanDerWaalsContact O-OG 3.06Å; L321-S323 VanDerWaalsContact C-N 3.28Å; L321-S323 PolarHBondContact O-N 2.88Å
324	A	83.3	Confident	88.6	Confident	48 Å²	48	31.6 Å²	31.6	40%	0.397	19%	0.189	S	C	.	.	S	Bend	trans	-144.3	65.5	-179.1	0	0	0	0	0	110.7	I320	I320-A324 PolarHBondContact O-N 2.97Å
325	P	84.6	Confident	88.8	Confident	23 Å²	23	28.1 Å²	28.1	15%	0.149	17%	0.172	C	C	.	.			trans	-65.1	142.8	-176.4	24.9	-33.3	0	0	0	112.2	L281 W316 L321	L281-P325 HydrophobicContact CD2-CG 4.49Å; L281-P325 VanDerWaalsContact O-CG 3.25Å; L281-P325 WeakPolarHBondContact O-CG 3.4Å; W316-P325 HydrophobicContact CH2-CB 3.91Å; W316-P325 HydrophobicContact CH2-CG 4.35Å; W316-P325 HydrophobicContact CZ3-CB 4.18Å; L321-P325 WeakPolarHBondContact O-CA 3.41Å; L321-P325 WeakPolarHBondContact O-CB 3.3Å; L321-P325 WeakPolarHBondContact O-CD 3.46Å
326	N	92.1	Very high	89	Confident	33 Å²	33	31.7 Å²	31.7	18%	0.176	19%	0.194	C	C	.	.			trans	-108.5	123.6	163.1	-177.8	-49.5	0	0	0	108.6	I328 T329 C330 E402	N326-I328 PolarHBondContact O-N 3.42Å; N326-I328 VanDerWaalsContact O-N 3.12Å; N326-I328 WeakPolarHBondContact OD1-CB 3.16Å; N326-I328 PolarHBondContact OD1-N 3.11Å; N326-T329 WeakPolarHBondContact O-CB 3.32Å; N326-T329 PolarHBondContact O-N 3.03Å; N326-C330 PolarHBondContact O-N 3.44Å; N326-C330 PolarHBondContact O-SG 3.38Å; N326-E402 WeakPolarHBondContact CB-OE2 3.49Å; N326-E402 PolarHBondContact ND2-OE1 2.89Å; N326-E402 VanDerWaalsContact ND2-OE1 3.12Å; N326-E402 PolarHBondContact ND2-OE2 3.18Å
327	P	94.8	Very high	89	Confident	17 Å²	17	32.5 Å²	32.5	11%	0.11	20%	0.202	C	C	.	.	H	α-helix	trans	-53.9	-37.2	-177.4	-30.4	37.5	0	0	0	114.4	K277 L280 L281 C330 L331	K277-P327 HydrophobicContact CB-CB 4.11Å; K277-P327 HydrophobicContact CB-CG 4.03Å; K277-P327 HydrophobicContact CG-CB 3.9Å; K277-P327 HydrophobicContact CG-CG 4.25Å; K277-P327 VanDerWaalsContact O-CG 3.29Å; K277-P327 WeakPolarHBondContact O-CG 3.39Å; L280-P327 HydrophobicContact CB-CB 3.92Å; L280-P327 HydrophobicContact CB-CG 4.31Å; L280-P327 HydrophobicContact CD1-CB 3.97Å; L280-P327 WeakPolarHBondContact CD1-O 3.46Å; L281-P327 HydrophobicContact CD2-CG 3.82Å; L281-P327 HydrophobicContact CG-CG 4.24Å; P327-C330 PolarHBondContact O-N 3Å; P327-L331 VanDerWaalsContact O-CG 3.32Å; P327-L331 WeakPolarHBondContact O-CG 3.42Å; P327-L331 PolarHBondContact O-N 3.16Å
328	I	96.4	Very high	89.3	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-73	-37.8	-177.9	-55.2	-52.3	0	0	0	111.1	N326 C330 L331 A332 L350 D354 I357 L358	N326-I328 PolarHBondContact O-N 3.42Å; N326-I328 VanDerWaalsContact O-N 3.12Å; N326-I328 WeakPolarHBondContact OD1-CB 3.16Å; N326-I328 PolarHBondContact OD1-N 3.11Å; I328-C330 VanDerWaalsContact C-N 3.3Å; I328-C330 PolarHBondContact O-N 3.39Å; I328-L331 HydrophobicContact CD1-CD1 4.26Å; I328-L331 PolarHBondContact O-N 2.77Å; I328-A332 PolarHBondContact O-N 3.07Å; I328-L350 HydrophobicContact CD1-CD2 4.17Å; I328-D354 HydrophobicContact CD1-CB 3.7Å; I328-D354 HydrophobicContact CG1-CB 3.83Å; I328-D354 VanDerWaalsContact CG1-OD1 3.32Å; I328-D354 WeakPolarHBondContact CG1-OD1 3.28Å; I328-D354 WeakPolarHBondContact CG2-O 3.06Å; I328-I357 HydrophobicContact CB-CG2 4.15Å; I328-I357 HydrophobicContact CG2-CB 3.96Å; I328-I357 HydrophobicContact CG2-CG2 3.73Å; I328-L358 HydrophobicContact CG2-CB 3.66Å; I328-L358 HydrophobicContact CG2-CD1 4.27Å; I328-L358 HydrophobicContact CG2-CG 4.44Å
329	T	95.3	Very high	89.8	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-38.5	174.8	-51	0	0	0	0	111	L321 N326 A332 A333 I361 E402 Y406	L321-T329 HydrophobicContact CD1-CG2 3.81Å; L321-T329 HydrophobicContact CD2-CG2 3.84Å; L321-T329 HydrophobicContact CG-CG2 4.47Å; N326-T329 WeakPolarHBondContact O-CB 3.32Å; N326-T329 PolarHBondContact O-N 3.03Å; T329-A332 WeakPolarHBondContact O-CB 3.04Å; T329-A332 PolarHBondContact O-N 3.41Å; T329-A333 PolarHBondContact O-N 3.4Å; T329-I361 HydrophobicContact CG2-CD1 4.04Å; T329-E402 WeakPolarHBondContact OG1-CB 3.38Å; T329-E402 PolarHBondContact OG1-OE2 2.84Å; T329-Y406 HydrophobicContact CG2-CD2 3.85Å; T329-Y406 HydrophobicContact CG2-CG 4.45Å
330	C	94.7	Very high	90.6	Very high	3 Å²	3	30 Å²	30	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-41.2	173.4	-54.5	0	0	0	0	112.3	L280 N326 P327 I328 A332 A333	L280-C330 HydrophobicContact CD2-CB 4.43Å; N326-C330 PolarHBondContact O-N 3.44Å; N326-C330 PolarHBondContact O-SG 3.38Å; P327-C330 PolarHBondContact O-N 3Å; I328-C330 VanDerWaalsContact C-N 3.3Å; I328-C330 PolarHBondContact O-N 3.39Å; C330-A332 VanDerWaalsContact C-N 3.31Å; C330-A332 PolarHBondContact O-N 3.44Å; C330-A333 PolarHBondContact O-N 3.18Å
331	L	96.5	Very high	91.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-37.9	174.8	-71.6	175.7	0	0	0	111.9	L276 L280 L303 P327 I328 A333 I334 M335 L344 L358	L276-L331 HydrophobicContact CD2-CD2 4.36Å; L280-L331 HydrophobicContact CD1-CD1 4.24Å; L280-L331 HydrophobicContact CD1-CD2 3.83Å; L280-L331 HydrophobicContact CD1-CG 3.71Å; L303-L331 HydrophobicContact CD2-CD2 3.6Å; P327-L331 VanDerWaalsContact O-CG 3.32Å; P327-L331 WeakPolarHBondContact O-CG 3.42Å; P327-L331 PolarHBondContact O-N 3.16Å; I328-L331 HydrophobicContact CD1-CD1 4.26Å; I328-L331 PolarHBondContact O-N 2.77Å; L331-A333 VanDerWaalsContact C-N 3.26Å; L331-A333 PolarHBondContact O-N 3.06Å; L331-I334 HydrophobicContact CD2-CD1 4.09Å; L331-I334 WeakPolarHBondContact O-CG1 3.49Å; L331-I334 PolarHBondContact O-N 3.21Å; L331-M335 WeakPolarHBondContact O-CG 3.34Å; L331-M335 PolarHBondContact O-N 2.69Å; L331-L344 HydrophobicContact CD1-CD2 4.23Å; L331-L358 HydrophobicContact CB-CD1 4.39Å
332	A	96.7	Very high	92.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-39	175	0	0	0	0	0	111.7	I328 T329 C330 I334 M335 L358 I361 R365 Y406	I328-A332 PolarHBondContact O-N 3.07Å; T329-A332 WeakPolarHBondContact O-CB 3.04Å; T329-A332 PolarHBondContact O-N 3.41Å; C330-A332 VanDerWaalsContact C-N 3.31Å; C330-A332 PolarHBondContact O-N 3.44Å; A332-I334 VanDerWaalsContact C-N 3.28Å; A332-I334 PolarHBondContact O-N 3.31Å; A332-M335 PolarHBondContact O-N 3.11Å; A332-M335 VanDerWaalsContact O-N 3.15Å; A332-L358 HydrophobicContact CB-CD1 3.65Å; A332-I361 HydrophobicContact CB-CB 3.98Å; A332-I361 HydrophobicContact CB-CD1 4.18Å; A332-I361 HydrophobicContact CB-CG2 3.58Å; A332-R365 PolarHBondContact O-NH1 3.04Å; A332-Y406 HydrophobicContact CB-CE2 4.18Å
333	A	94.9	Very high	93.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-67.9	-23.8	-177.2	0	0	0	0	0	114	L312 I315 T329 C330 L331 Y406	L312-A333 HydrophobicContact CB-CB 4.37Å; L312-A333 HydrophobicContact CD1-CB 4Å; I315-A333 HydrophobicContact CB-CB 4.49Å; T329-A333 PolarHBondContact O-N 3.4Å; C330-A333 PolarHBondContact O-N 3.18Å; L331-A333 VanDerWaalsContact C-N 3.26Å; L331-A333 PolarHBondContact O-N 3.06Å; A333-Y406 HydrophobicContact CB-CE2 3.89Å
334	I	96.9	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-91.6	-10.4	174.8	61.4	167.4	0	0	0	113.4	L289 F298 L303 P307 N308 F309 L312 L331 A332	L289-I334 HydrophobicContact CD1-CG2 4.08Å; L289-I334 HydrophobicContact CD2-CD1 4.45Å; F298-I334 HydrophobicContact CE2-CD1 4.01Å; F298-I334 HydrophobicContact CZ-CD1 4.33Å; L303-I334 HydrophobicContact CD2-CD1 4.22Å; P307-I334 CarbonylContact C-O 3.58Å; P307-I334 VanDerWaalsContact CA-O 3.31Å; P307-I334 WeakPolarHBondContact CA-O 3.35Å; P307-I334 HydrophobicContact CB-CB 4.07Å; N308-I334 PolarHBondContact N-O 3.3Å; F309-I334 HydrophobicContact CD1-CG2 4.37Å; F309-I334 HydrophobicContact CE1-CG2 4.49Å; L312-I334 HydrophobicContact CB-CG2 4.11Å; L312-I334 HydrophobicContact CD1-CG2 4.44Å; L312-I334 HydrophobicContact CD2-CG2 3.82Å; L312-I334 HydrophobicContact CG-CG2 4.35Å; L331-I334 HydrophobicContact CD2-CD1 4.09Å; L331-I334 WeakPolarHBondContact O-CG1 3.49Å; L331-I334 PolarHBondContact O-N 3.21Å; A332-I334 VanDerWaalsContact C-N 3.28Å; A332-I334 PolarHBondContact O-N 3.31Å
335	M	97.1	Very high	94.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.			trans	-92.1	144.3	-179.4	-76.6	177.4	143.8	0	0	111.4	P304 L331 A332 E340 V341 L344 L358 L362 R365	P304-M335 HydrophobicContact CG-CG 4.12Å; L331-M335 WeakPolarHBondContact O-CG 3.34Å; L331-M335 PolarHBondContact O-N 2.69Å; A332-M335 PolarHBondContact O-N 3.11Å; A332-M335 VanDerWaalsContact O-N 3.15Å; M335-E340 WeakPolarHBondContact CA-OE2 3.5Å; M335-E340 VanDerWaalsContact CB-OE2 3.29Å; M335-E340 WeakPolarHBondContact CB-OE2 3.27Å; M335-E340 HydrophobicContact CE-CB 3.88Å; M335-E340 HydrophobicContact CG-CB 4.46Å; M335-V341 HydrophobicContact CE-CG2 4.38Å; M335-V341 HydrophobicContact SD-CG2 4.08Å; M335-L344 HydrophobicContact CE-CB 3.99Å; M335-L344 HydrophobicContact CE-CD2 3.76Å; M335-L344 HydrophobicContact CE-CG 4.43Å; M335-L344 HydrophobicContact SD-CD2 4.49Å; M335-L358 HydrophobicContact SD-CD1 4.02Å; M335-L358 HydrophobicContact SD-CD2 4.07Å; M335-L358 HydrophobicContact SD-CG 4.36Å; M335-L362 HydrophobicContact CB-CD1 4.13Å; M335-L362 HydrophobicContact CB-CD2 3.78Å; M335-L362 HydrophobicContact SD-CD1 4.03Å; M335-R365 PolarHBondContact O-NH1 3.29Å; M335-R365 PolarHBondContact O-NH2 3.24Å
336	T	93.3	Very high	95.1	Very high	79 Å²	79	38.9 Å²	38.9	49%	0.485	20%	0.203	S	C	.	.	S	Bend	trans	-100.3	-32.2	-179.1	66.5	0	0	0	0	112.9	N308 E340 R365	N308-T336 HydrophobicContact CB-CG2 4.31Å; T336-E340 PolarHBondContact N-OE2 3.24Å; T336-E340 PolarHBondContact OG1-OE1 3.38Å; T336-R365 PolarHBondContact O-NH2 2.82Å
337	S	92.4	Very high	95.3	Very high	34 Å²	34	39.8 Å²	39.8	24%	0.238	20%	0.204	C	C	.	.			trans	-138.5	146.4	-175.2	174.6	0	0	0	0	111.7	D339 E340	S337-D339 PolarHBondContact O-N 2.78Å; S337-D339 VanDerWaalsContact O-N 3.15Å; S337-D339 PolarHBondContact OG-N 2.96Å; S337-D339 PolarHBondContact OG-OD2 3.47Å; S337-E340 PolarHBondContact N-OE2 3.16Å; S337-E340 WeakPolarHBondContact O-CB 3.49Å; S337-E340 PolarHBondContact O-N 3.33Å; S337-E340 VanDerWaalsContact O-N 3.17Å
338	P	93.8	Very high	95.4	Very high	38 Å²	38	39 Å²	39	25%	0.247	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-27.5	168.2	-24.7	32.9	0	0	0	114.5	E340 V341 L359 L362 N363	P338-E340 PolarHBondContact O-N 2.93Å; P338-V341 VanDerWaalsContact O-CB 3.27Å; P338-V341 WeakPolarHBondContact O-CB 3.29Å; P338-V341 WeakPolarHBondContact O-CG2 3.47Å; P338-V341 PolarHBondContact O-N 3.05Å; P338-V341 VanDerWaalsContact O-N 3.12Å; P338-L359 HydrophobicContact CB-CD2 4.2Å; P338-L362 HydrophobicContact CG-CB 4.02Å; P338-N363 WeakPolarHBondContact CG-OD1 3.4Å
339	D	92.6	Very high	95.4	Very high	128 Å²	128	44.9 Å²	44.9	68%	0.684	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.8	-179.7	-63.3	-31.4	0	0	0	112.4	S337 V341 E342	S337-D339 PolarHBondContact O-N 2.78Å; S337-D339 VanDerWaalsContact O-N 3.15Å; S337-D339 PolarHBondContact OG-N 2.96Å; S337-D339 PolarHBondContact OG-OD2 3.47Å; D339-V341 PolarHBondContact O-N 2.85Å; D339-E342 PolarHBondContact O-N 3.42Å
340	E	95.2	Very high	95.4	Very high	39 Å²	39	44.9 Å²	44.9	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-66.2	-22	178.6	-60.8	173.6	155.7	0	0	112	M335 T336 S337 P338 E342 N343 L344	M335-E340 WeakPolarHBondContact CA-OE2 3.5Å; M335-E340 VanDerWaalsContact CB-OE2 3.29Å; M335-E340 WeakPolarHBondContact CB-OE2 3.27Å; M335-E340 HydrophobicContact CE-CB 3.88Å; M335-E340 HydrophobicContact CG-CB 4.46Å; T336-E340 PolarHBondContact N-OE2 3.24Å; T336-E340 PolarHBondContact OG1-OE1 3.38Å; S337-E340 PolarHBondContact N-OE2 3.16Å; S337-E340 WeakPolarHBondContact O-CB 3.49Å; S337-E340 PolarHBondContact O-N 3.33Å; S337-E340 VanDerWaalsContact O-N 3.17Å; P338-E340 PolarHBondContact O-N 2.93Å; E340-E342 VanDerWaalsContact C-N 3.27Å; E340-E342 PolarHBondContact O-N 2.96Å; E340-N343 PolarHBondContact O-N 2.69Å; E340-L344 PolarHBondContact O-N 3.35Å
341	V	96.4	Very high	95.4	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-29.4	179.3	-179.3	0	0	0	0	112	M335 P338 D339 N343 L344 D345 L355 L358 L359 L362	M335-V341 HydrophobicContact CE-CG2 4.38Å; M335-V341 HydrophobicContact SD-CG2 4.08Å; P338-V341 VanDerWaalsContact O-CB 3.27Å; P338-V341 WeakPolarHBondContact O-CB 3.29Å; P338-V341 WeakPolarHBondContact O-CG2 3.47Å; P338-V341 PolarHBondContact O-N 3.05Å; P338-V341 VanDerWaalsContact O-N 3.12Å; D339-V341 PolarHBondContact O-N 2.85Å; V341-N343 PolarHBondContact O-N 2.68Å; V341-L344 PolarHBondContact O-N 2.69Å; V341-D345 PolarHBondContact O-N 3.45Å; V341-L355 HydrophobicContact CG1-CD2 3.73Å; V341-L358 HydrophobicContact CB-CD2 4.43Å; V341-L358 HydrophobicContact CG1-CD2 3.91Å; V341-L358 HydrophobicContact CG1-CG 4.49Å; V341-L358 HydrophobicContact CG2-CD2 3.8Å; V341-L358 HydrophobicContact CG2-CG 3.85Å; V341-L359 HydrophobicContact CB-CD2 3.97Å; V341-L359 HydrophobicContact CG1-CD2 4.05Å; V341-L359 HydrophobicContact CG1-CG 4.22Å; V341-L359 HydrophobicContact CG2-CD2 3.86Å; V341-L362 HydrophobicContact CG2-CD1 3.43Å; V341-L362 VanDerWaalsContact CG2-CD1 3.43Å
342	E	94.7	Very high	95.3	Very high	148 Å²	148	50.9 Å²	50.9	69%	0.692	26%	0.257	S	S	*	.	H	α-helix	trans	-61.9	-45	179.8	-174.2	177.5	177.5	0	0	111.2	D339 E340 D345 K346	D339-E342 PolarHBondContact O-N 3.42Å; E340-E342 VanDerWaalsContact C-N 3.27Å; E340-E342 PolarHBondContact O-N 2.96Å; E342-D345 PolarHBondContact O-N 3.39Å; E342-K346 WeakPolarHBondContact O-CB 3.27Å; E342-K346 PolarHBondContact O-N 3.4Å
343	N	94.4	Very high	95.3	Very high	101 Å²	101	54.2 Å²	54.2	54%	0.54	28%	0.275	S	S	.	.	H	α-helix	trans	-64.4	-42.4	178.2	-71.5	-32.7	0	0	0	111.4	E340 V341 K346 R347	E340-N343 PolarHBondContact O-N 2.69Å; V341-N343 PolarHBondContact O-N 2.68Å; N343-K346 PolarHBondContact O-N 3.38Å; N343-R347 WeakPolarHBondContact O-CB 3.41Å; N343-R347 PolarHBondContact O-N 3.14Å; N343-R347 VanDerWaalsContact O-N 3.07Å
344	L	96.8	Very high	95.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-49.8	177.6	-173.2	66.5	0	0	0	111.9	G302 L303 L331 M335 E340 V341 K346 R347 L348 L350 L358	G302-L344 VanDerWaalsContact O-CA 3.3Å; G302-L344 WeakPolarHBondContact O-CA 3.48Å; G302-L344 WeakPolarHBondContact O-CB 3.41Å; G302-L344 PolarHBondContact O-N 3.17Å; L303-L344 HydrophobicContact CD2-CD1 3.77Å; L303-L344 HydrophobicContact CG-CD1 4.36Å; L331-L344 HydrophobicContact CD1-CD2 4.23Å; M335-L344 HydrophobicContact CE-CB 3.99Å; M335-L344 HydrophobicContact CE-CD2 3.76Å; M335-L344 HydrophobicContact CE-CG 4.43Å; M335-L344 HydrophobicContact SD-CD2 4.49Å; E340-L344 PolarHBondContact O-N 3.35Å; V341-L344 PolarHBondContact O-N 2.69Å; L344-K346 PolarHBondContact O-N 3.13Å; L344-R347 PolarHBondContact O-N 3.36Å; L344-L348 HydrophobicContact CD1-CD1 3.57Å; L344-L348 HydrophobicContact CD1-CG 4.17Å; L344-L348 WeakPolarHBondContact O-CB 3.37Å; L344-L348 PolarHBondContact O-N 2.99Å; L344-L350 HydrophobicContact CD2-CD1 3.91Å; L344-L350 HydrophobicContact CG-CD1 4.02Å; L344-L358 HydrophobicContact CD2-CD2 3.76Å
345	D	97.1	Very high	95.3	Very high	26 Å²	26	55.2 Å²	55.2	14%	0.139	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-38.6	179.8	-173.6	42.1	0	0	0	112.1	V341 E342 R347 R349 L350 L355 R494	V341-D345 PolarHBondContact O-N 3.45Å; E342-D345 PolarHBondContact O-N 3.39Å; D345-R347 VanDerWaalsContact C-N 3.25Å; D345-R347 PolarHBondContact O-N 2.91Å; D345-R349 VanDerWaalsContact O-CA 3.22Å; D345-R349 WeakPolarHBondContact O-CA 3.02Å; D345-R349 PolarHBondContact O-N 3.44Å; D345-L350 HydrophobicContact CB-CD1 4.18Å; D345-L350 WeakPolarHBondContact OD1-CB 2.98Å; D345-L350 PolarHBondContact OD1-N 3.33Å; D345-L355 HydrophobicContact CB-CD2 3.96Å; D345-R494 IonicContact OD1-NH2 3.14Å
346	K	95.8	Very high	95.3	Very high	162 Å²	162	55.4 Å²	55.4	70%	0.704	28%	0.281	S	S	*	.	H	α-helix	trans	-59.3	-40.7	175.9	-174	178.4	179.6	-178	0	111	E342 N343 L344	E342-K346 WeakPolarHBondContact O-CB 3.27Å; E342-K346 PolarHBondContact O-N 3.4Å; N343-K346 PolarHBondContact O-N 3.38Å; L344-K346 PolarHBondContact O-N 3.13Å
347	R	96.5	Very high	95.4	Very high	52 Å²	52	52 Å²	52	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-81.6	-45.6	-177.5	177.8	56.6	-168.6	100.5	-6.4	113.8	L264 I267 G269 C272 H300 N343 L344 D345	L264-R347 PolarHBondContact O-NH2 3.17Å; I267-R347 PolarHBondContact O-NH1 2.89Å; I267-R347 PolarHBondContact O-NH2 3.07Å; G269-R347 VanDerWaalsContact CA-O 3.32Å; G269-R347 WeakPolarHBondContact CA-O 3.2Å; C272-R347 PolarHBondContact SG-NH2 3.19Å; H300-R347 PolarHBondContact O-NE 3.16Å; N343-R347 WeakPolarHBondContact O-CB 3.41Å; N343-R347 PolarHBondContact O-N 3.14Å; N343-R347 VanDerWaalsContact O-N 3.07Å; L344-R347 PolarHBondContact O-N 3.36Å; D345-R347 VanDerWaalsContact C-N 3.25Å; D345-R347 PolarHBondContact O-N 2.91Å
348	L	96.9	Very high	95.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-105.2	-12.1	-169.5	-64.2	-170.6	0	0	0	114.4	G269 C272 L273 L276 L301 L344	G269-L348 CarbonylContact C-O 3.59Å; C272-L348 HydrophobicContact CB-CD2 3.6Å; L273-L348 HydrophobicContact CB-CB 4.18Å; L273-L348 HydrophobicContact CD1-CB 4.3Å; L273-L348 HydrophobicContact CD1-CD1 4.04Å; L276-L348 HydrophobicContact CD2-CD1 3.75Å; L301-L348 HydrophobicContact CD2-CD2 4.36Å; L301-L348 WeakPolarHBondContact O-CG 3.47Å; L344-L348 HydrophobicContact CD1-CD1 3.57Å; L344-L348 HydrophobicContact CD1-CG 4.17Å; L344-L348 WeakPolarHBondContact O-CB 3.37Å; L344-L348 PolarHBondContact O-N 2.99Å
349	R	95	Very high	95.8	Very high	125 Å²	125	49.9 Å²	49.9	47%	0.472	24%	0.244	S	C	.	.			trans	56.2	65.4	177.4	-54.9	177.2	162.7	-165.3	2	112	E270 D345	E270-R349 WeakPolarHBondContact OE1-CD 3.18Å; E270-R349 IonicContact OE1-CZ 3.45Å; E270-R349 IonicContact OE1-NE 3.05Å; E270-R349 IonicContact OE1-NH1 2.93Å; E270-R349 PolarHBondContact OE1-NH1 2.74Å; D345-R349 VanDerWaalsContact O-CA 3.22Å; D345-R349 WeakPolarHBondContact O-CA 3.02Å; D345-R349 PolarHBondContact O-N 3.44Å
350	L	96.1	Very high	96	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.211	C	C	.	.			trans	-59.8	151.7	-179.1	-70	159.9	0	0	0	111.2	L273 I328 L344 D345 D354 L355 L358 R494	L273-L350 HydrophobicContact CD1-CD2 3.93Å; L273-L350 HydrophobicContact CD2-CD2 4.15Å; I328-L350 HydrophobicContact CD1-CD2 4.17Å; L344-L350 HydrophobicContact CD2-CD1 3.91Å; L344-L350 HydrophobicContact CG-CD1 4.02Å; D345-L350 HydrophobicContact CB-CD1 4.18Å; D345-L350 WeakPolarHBondContact OD1-CB 2.98Å; D345-L350 PolarHBondContact OD1-N 3.33Å; L350-D354 HydrophobicContact CB-CB 4.25Å; L350-D354 HydrophobicContact CD2-CB 3.95Å; L350-L355 HydrophobicContact CB-CD1 4.46Å; L350-L355 HydrophobicContact CB-CD2 4.13Å; L350-L355 HydrophobicContact CB-CG 3.78Å; L350-L355 HydrophobicContact CD1-CD2 3.79Å; L350-L355 HydrophobicContact CD1-CG 4.33Å; L350-L358 HydrophobicContact CD1-CD2 4.29Å; L350-R494 PolarHBondContact O-NH2 3.37Å
351	S	94.9	Very high	96	Very high	54 Å²	54	42 Å²	42	38%	0.378	20%	0.203	S	C	.	.			trans	-69.5	157.8	170	76	0	0	0	0	110.2	L353 D354 L355	S351-L353 PolarHBondContact O-N 3.31Å; S351-D354 WeakPolarHBondContact CB-OD2 3.49Å; S351-D354 PolarHBondContact N-OD2 3.39Å; S351-D354 PolarHBondContact O-N 2.97Å; S351-D354 PolarHBondContact OG-N 3.44Å; S351-D354 VanDerWaalsContact OG-N 3.12Å; S351-D354 PolarHBondContact OG-OD2 2.78Å; S351-L355 PolarHBondContact O-N 3.28Å
352	N	94.7	Very high	96	Very high	76 Å²	76	42.1 Å²	42.1	41%	0.406	20%	0.203	S	C	.	.	H	α-helix	trans	-60.1	-30.7	176.5	-69.2	-22.6	0	0	0	112.1	T356 I492	N352-T356 PolarHBondContact O-N 3.21Å; N352-T356 PolarHBondContact O-OG1 2.9Å; N352-I492 WeakPolarHBondContact O-CD1 3.16Å
353	L	95.4	Very high	96.1	Very high	70 Å²	70	38.8 Å²	38.8	37%	0.366	19%	0.19	S	C	.	.	H	α-helix	trans	-71.8	-47.2	177.2	-178.9	60.8	0	0	0	110.9	S351 L355 T356 I357 K395 P398	S351-L353 PolarHBondContact O-N 3.31Å; L353-L355 VanDerWaalsContact C-N 3.31Å; L353-L355 PolarHBondContact O-N 3.33Å; L353-T356 WeakPolarHBondContact O-CB 3.5Å; L353-T356 PolarHBondContact O-N 3.37Å; L353-I357 HydrophobicContact CD1-CD1 4.28Å; L353-I357 HydrophobicContact CD1-CG1 4.48Å; L353-I357 HydrophobicContact CG-CD1 4.04Å; L353-I357 WeakPolarHBondContact O-CG1 3.3Å; L353-I357 PolarHBondContact O-N 2.52Å; L353-K395 HydrophobicContact CD1-CB 4.45Å; L353-P398 HydrophobicContact CD1-CB 3.94Å; L353-P398 HydrophobicContact CD1-CG 4.06Å
354	D	96.2	Very high	96	Very high	16 Å²	16	35.8 Å²	35.8	9%	0.086	17%	0.172	C	C	.	.	H	α-helix	trans	-57.8	-45.6	177.2	-61.8	-42	0	0	0	111.2	K277 I328 L350 S351 T356 I357 L358	K277-D354 IonicContact NZ-OD1 3.09Å; K277-D354 PolarHBondContact NZ-OD1 2.99Å; K277-D354 IonicContact NZ-OD2 3.8Å; K277-D354 PolarHBondContact NZ-OD2 3.07Å; I328-D354 HydrophobicContact CD1-CB 3.7Å; I328-D354 HydrophobicContact CG1-CB 3.83Å; I328-D354 VanDerWaalsContact CG1-OD1 3.32Å; I328-D354 WeakPolarHBondContact CG1-OD1 3.28Å; I328-D354 WeakPolarHBondContact CG2-O 3.06Å; L350-D354 HydrophobicContact CB-CB 4.25Å; L350-D354 HydrophobicContact CD2-CB 3.95Å; S351-D354 WeakPolarHBondContact CB-OD2 3.49Å; S351-D354 PolarHBondContact N-OD2 3.39Å; S351-D354 PolarHBondContact O-N 2.97Å; S351-D354 PolarHBondContact OG-N 3.44Å; S351-D354 VanDerWaalsContact OG-N 3.12Å; S351-D354 PolarHBondContact OG-OD2 2.78Å; D354-T356 PolarHBondContact O-N 3.32Å; D354-I357 PolarHBondContact O-N 2.92Å; D354-L358 WeakPolarHBondContact O-CB 3.32Å; D354-L358 PolarHBondContact O-N 2.94Å
355	L	96.6	Very high	95.8	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-57.6	-37.9	174.9	-80.1	172	0	0	0	112.1	V341 D345 L350 S351 L353 L359 I492	V341-L355 HydrophobicContact CG1-CD2 3.73Å; D345-L355 HydrophobicContact CB-CD2 3.96Å; L350-L355 HydrophobicContact CB-CD1 4.46Å; L350-L355 HydrophobicContact CB-CD2 4.13Å; L350-L355 HydrophobicContact CB-CG 3.78Å; L350-L355 HydrophobicContact CD1-CD2 3.79Å; L350-L355 HydrophobicContact CD1-CG 4.33Å; S351-L355 PolarHBondContact O-N 3.28Å; L353-L355 VanDerWaalsContact C-N 3.31Å; L353-L355 PolarHBondContact O-N 3.33Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 3.25Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.04Å; L355-I492 HydrophobicContact CB-CD1 3.45Å; L355-I492 VanDerWaalsContact CB-CD1 3.45Å; L355-I492 HydrophobicContact CB-CG1 4.11Å; L355-I492 HydrophobicContact CD1-CG2 4.17Å
356	T	96.1	Very high	95.5	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.025	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-47.2	-176.6	-54.6	0	0	0	0	108.9	N352 L353 D354 Y360 K395 A399 I492	N352-T356 PolarHBondContact O-N 3.21Å; N352-T356 PolarHBondContact O-OG1 2.9Å; L353-T356 WeakPolarHBondContact O-CB 3.5Å; L353-T356 PolarHBondContact O-N 3.37Å; D354-T356 PolarHBondContact O-N 3.32Å; T356-Y360 WeakPolarHBondContact O-CB 3.34Å; T356-Y360 PolarHBondContact O-N 3.15Å; T356-K395 HydrophobicContact CG2-CB 4.06Å; T356-A399 HydrophobicContact CG2-CB 4.12Å; T356-I492 WeakPolarHBondContact OG1-CD1 3.5Å
357	I	96.7	Very high	95.2	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-51.3	177.9	-66.1	165.3	0	0	0	109.8	I328 L353 D354 Y360 I361 P398 A399 E402	I328-I357 HydrophobicContact CB-CG2 4.15Å; I328-I357 HydrophobicContact CG2-CB 3.96Å; I328-I357 HydrophobicContact CG2-CG2 3.73Å; L353-I357 HydrophobicContact CD1-CD1 4.28Å; L353-I357 HydrophobicContact CD1-CG1 4.48Å; L353-I357 HydrophobicContact CG-CD1 4.04Å; L353-I357 WeakPolarHBondContact O-CG1 3.3Å; L353-I357 PolarHBondContact O-N 2.52Å; D354-I357 PolarHBondContact O-N 2.92Å; I357-Y360 PolarHBondContact O-N 3.47Å; I357-I361 HydrophobicContact CG2-CD1 3.88Å; I357-I361 WeakPolarHBondContact O-CG1 3.44Å; I357-I361 PolarHBondContact O-N 3.5Å; I357-P398 HydrophobicContact CD1-CB 4.47Å; I357-A399 HydrophobicContact CG1-CB 4.24Å; I357-E402 HydrophobicContact CD1-CG 4.31Å; I357-E402 HydrophobicContact CG2-CB 3.73Å; I357-E402 HydrophobicContact CG2-CG 3.94Å
358	L	97.1	Very high	94.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-51.5	-175.8	-171.2	54.2	0	0	0	112	I328 L331 A332 M335 V341 L344 L350 D354 I361 L362	I328-L358 HydrophobicContact CG2-CB 3.66Å; I328-L358 HydrophobicContact CG2-CD1 4.27Å; I328-L358 HydrophobicContact CG2-CG 4.44Å; L331-L358 HydrophobicContact CB-CD1 4.39Å; A332-L358 HydrophobicContact CB-CD1 3.65Å; M335-L358 HydrophobicContact SD-CD1 4.02Å; M335-L358 HydrophobicContact SD-CD2 4.07Å; M335-L358 HydrophobicContact SD-CG 4.36Å; V341-L358 HydrophobicContact CB-CD2 4.43Å; V341-L358 HydrophobicContact CG1-CD2 3.91Å; V341-L358 HydrophobicContact CG1-CG 4.49Å; V341-L358 HydrophobicContact CG2-CD2 3.8Å; V341-L358 HydrophobicContact CG2-CG 3.85Å; L344-L358 HydrophobicContact CD2-CD2 3.76Å; L350-L358 HydrophobicContact CD1-CD2 4.29Å; D354-L358 WeakPolarHBondContact O-CB 3.32Å; D354-L358 PolarHBondContact O-N 2.94Å; L358-I361 PolarHBondContact O-N 3Å; L358-L362 HydrophobicContact CD1-CD1 4.11Å; L358-L362 HydrophobicContact CG-CD1 4.13Å; L358-L362 WeakPolarHBondContact O-CG 3.27Å; L358-L362 PolarHBondContact O-N 2.81Å
359	L	97.1	Very high	94.1	Very high	29 Å²	29	37.5 Å²	37.5	15%	0.152	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-36.2	-179.7	-70.6	169.4	0	0	0	112.1	P338 V341 L355 L362 N363 F491 I492	P338-L359 HydrophobicContact CB-CD2 4.2Å; V341-L359 HydrophobicContact CB-CD2 3.97Å; V341-L359 HydrophobicContact CG1-CD2 4.05Å; V341-L359 HydrophobicContact CG1-CG 4.22Å; V341-L359 HydrophobicContact CG2-CD2 3.86Å; L355-L359 VanDerWaalsContact O-CB 3.32Å; L355-L359 WeakPolarHBondContact O-CB 3.25Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.04Å; L359-L362 PolarHBondContact O-N 3.1Å; L359-N363 VanDerWaalsContact O-CB 3.25Å; L359-N363 WeakPolarHBondContact O-CB 3.43Å; L359-N363 VanDerWaalsContact O-CG 3.26Å; L359-N363 PolarHBondContact O-N 3.23Å; L359-N363 PolarHBondContact O-ND2 3.43Å; L359-F491 VanDerWaalsContact CD1-O 3.27Å; L359-F491 WeakPolarHBondContact CD1-O 3.39Å; L359-I492 HydrophobicContact CD1-CG1 4.22Å
360	Y	96.1	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-45.1	176.2	-174.5	-92.1	0	0	0	111.2	T356 I357 K364 Y368 I396 A399 I400 M403 F491	T356-Y360 WeakPolarHBondContact O-CB 3.34Å; T356-Y360 PolarHBondContact O-N 3.15Å; I357-Y360 PolarHBondContact O-N 3.47Å; Y360-K364 HydrophobicContact CD2-CG 4.49Å; Y360-K364 HydrophobicContact CE2-CG 4.3Å; Y360-K364 WeakPolarHBondContact O-CB 3.14Å; Y360-K364 WeakPolarHBondContact O-CG 3.41Å; Y360-K364 PolarHBondContact O-N 3.1Å; Y360-Y368 PolarHBondContact OH-OH 2.87Å; Y360-I396 HydrophobicContact CD2-CD1 3.68Å; Y360-I396 HydrophobicContact CE2-CD1 3.66Å; Y360-A399 HydrophobicContact CD1-CB 4.14Å; Y360-A399 HydrophobicContact CG-CB 3.94Å; Y360-I400 HydrophobicContact CE1-CG1 4.02Å; Y360-I400 HydrophobicContact CE2-CG1 4.44Å; Y360-M403 HydrophobicContact CD1-CB 4.11Å; Y360-M403 HydrophobicContact CD1-CE 3.91Å; Y360-M403 HydrophobicContact CE1-CB 3.83Å; Y360-M403 HydrophobicContact CE1-CE 3.87Å; Y360-M403 HydrophobicContact CE1-CG 4.15Å; Y360-M403 WeakPolarHBondContact O-CE 3.32Å; Y360-F491 HydrophobicContact CD2-CE1 4.12Å; Y360-F491 HydrophobicContact CD2-CZ 4.4Å
361	I	96.1	Very high	92.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-54.4	176.5	-66.1	168.5	0	0	0	110.3	T329 A332 I357 L358 N363 K364 R365 E402 M403 Y406	T329-I361 HydrophobicContact CG2-CD1 4.04Å; A332-I361 HydrophobicContact CB-CB 3.98Å; A332-I361 HydrophobicContact CB-CD1 4.18Å; A332-I361 HydrophobicContact CB-CG2 3.58Å; I357-I361 HydrophobicContact CG2-CD1 3.88Å; I357-I361 WeakPolarHBondContact O-CG1 3.44Å; I357-I361 PolarHBondContact O-N 3.5Å; L358-I361 PolarHBondContact O-N 3Å; I361-N363 VanDerWaalsContact C-N 3.3Å; I361-N363 PolarHBondContact O-N 3.24Å; I361-K364 PolarHBondContact O-N 3.02Å; I361-R365 HydrophobicContact CG2-CB 4.29Å; I361-R365 WeakPolarHBondContact O-CB 3.31Å; I361-R365 WeakPolarHBondContact O-CG 3.18Å; I361-R365 PolarHBondContact O-N 2.98Å; I361-E402 HydrophobicContact CD1-CB 4.24Å; I361-M403 HydrophobicContact CB-CE 4.41Å; I361-M403 HydrophobicContact CG1-CE 4.4Å; I361-Y406 HydrophobicContact CD1-CD2 4.49Å; I361-Y406 HydrophobicContact CG2-CD1 4.28Å; I361-Y406 HydrophobicContact CG2-CD2 3.64Å; I361-Y406 HydrophobicContact CG2-CE1 4.39Å; I361-Y406 HydrophobicContact CG2-CE2 3.73Å; I361-Y406 HydrophobicContact CG2-CG 3.91Å
362	L	96.4	Very high	91.2	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-36.3	-175.7	-68.3	171	0	0	0	113.2	M335 P338 V341 L358 L359	M335-L362 HydrophobicContact CB-CD1 4.13Å; M335-L362 HydrophobicContact CB-CD2 3.78Å; M335-L362 HydrophobicContact SD-CD1 4.03Å; P338-L362 HydrophobicContact CG-CB 4.02Å; V341-L362 HydrophobicContact CG2-CD1 3.43Å; V341-L362 VanDerWaalsContact CG2-CD1 3.43Å; L358-L362 HydrophobicContact CD1-CD1 4.11Å; L358-L362 HydrophobicContact CG-CD1 4.13Å; L358-L362 WeakPolarHBondContact O-CG 3.27Å; L358-L362 PolarHBondContact O-N 2.81Å; L359-L362 PolarHBondContact O-N 3.1Å
363	N	95.6	Very high	89.7	Confident	77 Å²	77	40.5 Å²	40.5	41%	0.412	21%	0.208	S	C	.	.	H	α-helix	trans	-77.5	-24.1	-179.9	-73.6	-40.8	0	0	0	114.1	P338 L359 I361	P338-N363 WeakPolarHBondContact CG-OD1 3.4Å; L359-N363 VanDerWaalsContact O-CB 3.25Å; L359-N363 WeakPolarHBondContact O-CB 3.43Å; L359-N363 VanDerWaalsContact O-CG 3.26Å; L359-N363 PolarHBondContact O-N 3.23Å; L359-N363 PolarHBondContact O-ND2 3.43Å; I361-N363 VanDerWaalsContact C-N 3.3Å; I361-N363 PolarHBondContact O-N 3.24Å
364	K	93.1	Very high	87.8	Confident	39 Å²	39	44.6 Å²	44.6	17%	0.17	23%	0.225	C	C	.	.	H	α-helix	trans	-122.1	-12.3	-168.2	-56.4	-71.7	-176.1	-176.7	0	114.1	Y360 I361 D366 Y367 Y368 M403 E489	Y360-K364 HydrophobicContact CD2-CG 4.49Å; Y360-K364 HydrophobicContact CE2-CG 4.3Å; Y360-K364 WeakPolarHBondContact O-CB 3.14Å; Y360-K364 WeakPolarHBondContact O-CG 3.41Å; Y360-K364 PolarHBondContact O-N 3.1Å; I361-K364 PolarHBondContact O-N 3.02Å; K364-D366 VanDerWaalsContact C-N 3.32Å; K364-D366 PolarHBondContact O-N 3.11Å; K364-Y367 WeakPolarHBondContact O-CB 3.28Å; K364-Y367 PolarHBondContact O-N 3.26Å; K364-Y368 HydrophobicContact CB-CD2 3.83Å; K364-Y368 HydrophobicContact CB-CE2 3.73Å; K364-Y368 HydrophobicContact CG-CE2 4.43Å; K364-Y368 VanDerWaalsContact O-CD2 3.26Å; K364-Y368 WeakPolarHBondContact O-CD2 3.16Å; K364-Y368 PolarHBondContact O-N 3.38Å; K364-Y368 VanDerWaalsContact O-N 3.08Å; K364-M403 HydrophobicContact CB-CE 3.58Å; K364-E489 IonicContact NZ-OE2 2.78Å; K364-E489 PolarHBondContact NZ-OE2 3.25Å
365	R	92.7	Very high	85.8	Confident	9 Å²	9	51.3 Å²	51.3	3%	0.034	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-42.4	-174.1	63.8	176.7	-176	-162.4	-5.7	112.5	E311 A332 M335 T336 I361 Y367 Y368 L369 M403 Y406	E311-R365 IonicContact OE1-CZ 2.63Å; E311-R365 IonicContact OE1-NE 3.94Å; E311-R365 IonicContact OE1-NH1 2.74Å; E311-R365 IonicContact OE2-CZ 3.68Å; E311-R365 IonicContact OE2-NH1 3.73Å; E311-R365 PolarHBondContact OE2-NH1 2.76Å; E311-R365 IonicContact OE2-NH2 2.89Å; A332-R365 PolarHBondContact O-NH1 3.04Å; M335-R365 PolarHBondContact O-NH1 3.29Å; M335-R365 PolarHBondContact O-NH2 3.24Å; T336-R365 PolarHBondContact O-NH2 2.82Å; I361-R365 HydrophobicContact CG2-CB 4.29Å; I361-R365 WeakPolarHBondContact O-CB 3.31Å; I361-R365 WeakPolarHBondContact O-CG 3.18Å; I361-R365 PolarHBondContact O-N 2.98Å; R365-Y367 PolarHBondContact O-N 3.09Å; R365-Y368 PolarHBondContact O-N 2.87Å; R365-L369 WeakPolarHBondContact O-CB 3.45Å; R365-L369 WeakPolarHBondContact O-CG 3.32Å; R365-L369 PolarHBondContact O-N 2.84Å; R365-M403 HydrophobicContact CB-CE 4.41Å; R365-M403 HydrophobicContact CB-SD 4.32Å; R365-Y406 HydrophobicContact CB-CD1 4.25Å; R365-Y406 HydrophobicContact CB-CE1 3.87Å; R365-Y406 VanDerWaalsContact CD-OH 3.29Å; R365-Y406 WeakPolarHBondContact CD-OH 3.14Å; R365-Y406 HydrophobicContact CG-CE1 4.44Å; R365-Y406 PolarHBondContact NH1-OH 2.7Å
366	D	90.7	Very high	84	Confident	99 Å²	99	56.3 Å²	56.3	53%	0.529	29%	0.288	S	S	.	.	H	α-helix	trans	-67.2	-40.7	-178	-63.4	-25	0	0	0	111.2	K364 N370	K364-D366 VanDerWaalsContact C-N 3.32Å; K364-D366 PolarHBondContact O-N 3.11Å; D366-N370 VanDerWaalsContact O-CG 3.28Å; D366-N370 PolarHBondContact O-N 2.78Å; D366-N370 VanDerWaalsContact O-N 3.14Å; D366-N370 PolarHBondContact O-ND2 3.23Å
367	Y	88.9	Confident	82.3	Confident	124 Å²	124	65.7 Å²	65.7	49%	0.486	33%	0.329	S	S	.	.	H	α-helix	trans	-58	-49.8	174.5	172.5	-100.1	0	0	0	111.2	K364 R365 N370 L371	K364-Y367 WeakPolarHBondContact O-CB 3.28Å; K364-Y367 PolarHBondContact O-N 3.26Å; R365-Y367 PolarHBondContact O-N 3.09Å; Y367-N370 PolarHBondContact O-N 3.24Å; Y367-L371 HydrophobicContact CE1-CD2 4.29Å; Y367-L371 WeakPolarHBondContact O-CB 3.29Å; Y367-L371 PolarHBondContact O-N 2.97Å
368	Y	87.2	Confident	81.3	Confident	3 Å²	3	70.2 Å²	70.2	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-74.7	-33.3	-177.6	-73.2	-64.7	0	0	0	114.1	Y360 K364 R365 N370 L371 S372 F382 Y383 E386 M403 L407	Y360-Y368 PolarHBondContact OH-OH 2.87Å; K364-Y368 HydrophobicContact CB-CD2 3.83Å; K364-Y368 HydrophobicContact CB-CE2 3.73Å; K364-Y368 HydrophobicContact CG-CE2 4.43Å; K364-Y368 VanDerWaalsContact O-CD2 3.26Å; K364-Y368 WeakPolarHBondContact O-CD2 3.16Å; K364-Y368 PolarHBondContact O-N 3.38Å; K364-Y368 VanDerWaalsContact O-N 3.08Å; R365-Y368 PolarHBondContact O-N 2.87Å; Y368-N370 PolarHBondContact O-N 2.82Å; Y368-L371 HydrophobicContact CD1-CD2 3.97Å; Y368-L371 HydrophobicContact CE1-CD2 4.23Å; Y368-L371 PolarHBondContact O-N 3Å; Y368-S372 WeakPolarHBondContact O-CB 3.29Å; Y368-S372 PolarHBondContact O-N 3.25Å; Y368-S372 PolarHBondContact O-OG 3.01Å; Y368-F382 HydrophobicContact CE1-CB 4.34Å; Y368-Y383 AromaticContact CD1-CE1 3.59Å; Y368-Y383 HydrophobicContact CD1-CE1 3.59Å; Y368-Y383 AromaticContact CD1-CZ 3.96Å; Y368-Y383 HydrophobicContact CD2-CE1 4.43Å; Y368-Y383 AromaticContact CE1-CD1 3.92Å; Y368-Y383 HydrophobicContact CE1-CD1 3.92Å; Y368-Y383 AromaticContact CE1-CE1 3.4Å; Y368-Y383 HydrophobicContact CE1-CE1 3.4Å; Y368-Y383 HydrophobicContact CE2-CE1 4.26Å; Y368-Y383 HydrophobicContact CG-CE1 4.12Å; Y368-Y383 AromaticContact CZ-CE1 3.75Å; Y368-E386 WeakPolarHBondContact OH-CG 3.31Å; Y368-M403 HydrophobicContact CD2-CE 3.95Å; Y368-M403 HydrophobicContact CD2-CG 4.15Å; Y368-M403 HydrophobicContact CD2-SD 4.29Å; Y368-M403 HydrophobicContact CE2-CE 4.4Å; Y368-L407 HydrophobicContact CG-CD1 4.27Å
369	L	83.2	Confident	80.7	Confident	40 Å²	40	70.7 Å²	70.7	21%	0.209	36%	0.355	C	S	.	.	H	α-helix	trans	-59.3	-40.8	172.4	-77.2	169.6	0	0	0	110.6	R365 S372 N373 L407	R365-L369 WeakPolarHBondContact O-CB 3.45Å; R365-L369 WeakPolarHBondContact O-CG 3.32Å; R365-L369 PolarHBondContact O-N 2.84Å; L369-S372 PolarHBondContact O-OG 3.14Å; L369-N373 PolarHBondContact O-ND2 3.42Å; L369-L407 HydrophobicContact CD2-CD2 3.69Å; L369-L407 HydrophobicContact CG-CD2 3.75Å
370	N	81.9	Confident	80.2	Confident	114 Å²	114	70 Å²	70	61%	0.61	35%	0.351	S	S	*	.	H	α-helix	trans	-69.6	-42.2	175.4	-68.6	-32.6	0	0	0	112.2	D366 Y367 Y368 S372 N373	D366-N370 VanDerWaalsContact O-CG 3.28Å; D366-N370 PolarHBondContact O-N 2.78Å; D366-N370 VanDerWaalsContact O-N 3.14Å; D366-N370 PolarHBondContact O-ND2 3.23Å; Y367-N370 PolarHBondContact O-N 3.24Å; Y368-N370 PolarHBondContact O-N 2.82Å; N370-S372 VanDerWaalsContact C-N 3.35Å; N370-S372 PolarHBondContact O-N 2.82Å; N370-N373 PolarHBondContact O-N 3.36Å
371	L	77.9	Confident	79.8	Confident	28 Å²	28	73.7 Å²	73.7	15%	0.147	37%	0.365	C	S	.	.	H	α-helix	trans	-62.8	-38.8	179.3	-169.4	71.9	0	0	0	112.8	Y367 Y368 N373 E374 F382	Y367-L371 HydrophobicContact CE1-CD2 4.29Å; Y367-L371 WeakPolarHBondContact O-CB 3.29Å; Y367-L371 PolarHBondContact O-N 2.97Å; Y368-L371 HydrophobicContact CD1-CD2 3.97Å; Y368-L371 HydrophobicContact CE1-CD2 4.23Å; Y368-L371 PolarHBondContact O-N 3Å; L371-N373 PolarHBondContact O-N 3.04Å; L371-E374 PolarHBondContact O-N 3.5Å; L371-F382 HydrophobicContact CD1-CE2 4.19Å; L371-F382 HydrophobicContact CD1-CZ 4.08Å; L371-F382 HydrophobicContact CD2-CB 4.33Å; L371-F382 HydrophobicContact CD2-CD1 4.26Å; L371-F382 HydrophobicContact CD2-CD2 3.61Å; L371-F382 HydrophobicContact CD2-CE1 4.47Å; L371-F382 HydrophobicContact CD2-CE2 3.85Å; L371-F382 HydrophobicContact CD2-CG 3.81Å; L371-F382 HydrophobicContact CD2-CZ 4.28Å; L371-F382 HydrophobicContact CG-CE2 4.37Å
372	S	66.3	Low	79.5	Confident	45 Å²	45	77.4 Å²	77.4	32%	0.315	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.5	-177.6	65.4	0	0	0	0	114.5	Y368 L369 N370	Y368-S372 WeakPolarHBondContact O-CB 3.29Å; Y368-S372 PolarHBondContact O-N 3.25Å; Y368-S372 PolarHBondContact O-OG 3.01Å; L369-S372 PolarHBondContact O-OG 3.14Å; N370-S372 VanDerWaalsContact C-N 3.35Å; N370-S372 PolarHBondContact O-N 2.82Å
373	N	63.4	Low	79.2	Confident	133 Å²	133	77 Å²	77	71%	0.711	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-11.1	174.2	-63	-42.2	0	0	0	113.1	L369 N370 L371	L369-N373 PolarHBondContact O-ND2 3.42Å; N370-N373 PolarHBondContact O-N 3.36Å; L371-N373 PolarHBondContact O-N 3.04Å
374	E	54.5	Low	79.1	Confident	156 Å²	156	74.6 Å²	74.6	73%	0.729	37%	0.366	S	S	*	.	S	Bend	trans	-110.3	96.4	-177	-67.9	-169.1	171.3	0	0	112.1	L371	L371-E374 PolarHBondContact O-N 3.5Å
375	N	54.2	Low	78.9	Confident	157 Å²	157	75.7 Å²	75.7	84%	0.84	37%	0.37	S	S	*	.			trans	39.6	102.5	162.6	-134.2	-1.2	0	0	0	118.7	K377	N375-K377 PolarHBondContact O-N 2.96Å
376	D	59.3	Low	78.9	Confident	111 Å²	111	77.7 Å²	77.7	59%	0.594	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-53.4	-21.4	-166.3	-141.1	-13	0	0	0	118.8	N378 E379	D376-N378 VanDerWaalsContact C-N 3.26Å; D376-N378 PolarHBondContact O-N 3.18Å; D376-N378 VanDerWaalsContact O-N 3.09Å; D376-E379 PolarHBondContact O-N 2.95Å
377	K	60.2	Low	79.1	Confident	201 Å²	201	74.9 Å²	74.9	87%	0.874	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-66.9	-21.9	-165.3	-87.5	-174.8	177.7	178.4	0	115.3	N375	N375-K377 PolarHBondContact O-N 2.96Å
378	N	75	Confident	79.2	Confident	100 Å²	100	69.4 Å²	69.4	54%	0.535	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-115.6	7.3	-178.4	-75.4	-20.6	0	0	0	113.8	D376 M380 R381 F382	D376-N378 VanDerWaalsContact C-N 3.26Å; D376-N378 PolarHBondContact O-N 3.18Å; D376-N378 VanDerWaalsContact O-N 3.09Å; N378-M380 VanDerWaalsContact C-N 3.33Å; N378-M380 PolarHBondContact O-N 3.08Å; N378-R381 VanDerWaalsContact O-CB 3.28Å; N378-R381 WeakPolarHBondContact O-CB 3.13Å; N378-R381 PolarHBondContact O-N 3.29Å; N378-F382 WeakPolarHBondContact O-CD2 3.37Å
379	E	84.3	Confident	79.5	Confident	10 Å²	10	69.9 Å²	69.9	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-61.2	-42.8	-171.9	-160.7	-170.6	152.3	0	0	112.3	D376 R381 F382 Y383 K409 F413	D376-E379 PolarHBondContact O-N 2.95Å; E379-R381 PolarHBondContact O-N 3.34Å; E379-R381 VanDerWaalsContact O-N 3.14Å; E379-F382 PolarHBondContact O-N 2.88Å; E379-F382 VanDerWaalsContact O-N 3.14Å; E379-Y383 HydrophobicContact CG-CE2 3.81Å; E379-Y383 WeakPolarHBondContact O-CD2 3.31Å; E379-Y383 WeakPolarHBondContact OE1-CE2 3.3Å; E379-Y383 PolarHBondContact OE1-OH 2.71Å; E379-K409 WeakPolarHBondContact OE1-CE 3.33Å; E379-K409 IonicContact OE1-NZ 3.62Å; E379-K409 PolarHBondContact OE1-NZ 3Å; E379-K409 WeakPolarHBondContact OE2-CE 3.44Å; E379-K409 IonicContact OE2-NZ 3.17Å; E379-K409 PolarHBondContact OE2-NZ 3.16Å; E379-F413 HydrophobicContact CB-CZ 4.46Å
380	M	88	Confident	79.8	Confident	16 Å²	16	69.1 Å²	69.1	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-55.7	-35.5	178.1	-165.9	66.7	75	0	0	112.3	N378 F382 Y383 E384 F413 K416 W417	N378-M380 VanDerWaalsContact C-N 3.33Å; N378-M380 PolarHBondContact O-N 3.08Å; M380-F382 PolarHBondContact O-N 2.91Å; M380-Y383 PolarHBondContact O-N 3.32Å; M380-Y383 VanDerWaalsContact O-N 3.15Å; M380-E384 HydrophobicContact CG-CG 4.24Å; M380-E384 WeakPolarHBondContact CG-OE1 3.23Å; M380-E384 WeakPolarHBondContact O-CG 3.33Å; M380-E384 PolarHBondContact O-N 2.96Å; M380-F413 HydrophobicContact CB-CZ 4.38Å; M380-F413 HydrophobicContact CE-CD1 3.78Å; M380-F413 HydrophobicContact CE-CD2 4.22Å; M380-F413 HydrophobicContact CE-CE1 3.44Å; M380-F413 VanDerWaalsContact CE-CE1 3.44Å; M380-F413 HydrophobicContact CE-CE2 3.94Å; M380-F413 HydrophobicContact CE-CG 4.15Å; M380-F413 HydrophobicContact CE-CZ 3.54Å; M380-F413 HydrophobicContact SD-CE1 3.94Å; M380-F413 HydrophobicContact SD-CZ 4.07Å; M380-K416 HydrophobicContact CE-CB 4.17Å; M380-K416 HydrophobicContact CE-CD 3.94Å; M380-K416 HydrophobicContact CE-CG 4.04Å; M380-W417 HydrophobicContact CE-CB 4.2Å; M380-W417 HydrophobicContact SD-CB 4.05Å; M380-W417 HydrophobicContact SD-CE3 3.89Å
381	R	87.3	Confident	80	Confident	77 Å²	77	66.6 Å²	66.6	29%	0.291	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-30.9	-176.8	-170.1	177.5	172.7	173.3	0.6	112.3	N378 E379 K385 C455 E456 D458	N378-R381 VanDerWaalsContact O-CB 3.28Å; N378-R381 WeakPolarHBondContact O-CB 3.13Å; N378-R381 PolarHBondContact O-N 3.29Å; E379-R381 PolarHBondContact O-N 3.34Å; E379-R381 VanDerWaalsContact O-N 3.14Å; R381-K385 WeakPolarHBondContact O-CB 3.33Å; R381-K385 PolarHBondContact O-N 2.93Å; R381-C455 PolarHBondContact NH2-O 3.05Å; R381-C455 VanDerWaalsContact NH2-O 3.12Å; R381-E456 PolarHBondContact NH2-O 3.22Å; R381-E456 VanDerWaalsContact NH2-O 3.16Å; R381-D458 VanDerWaalsContact CZ-CG 3.42Å; R381-D458 IonicContact CZ-OD1 2.77Å; R381-D458 IonicContact CZ-OD2 3.97Å; R381-D458 IonicContact NE-OD1 2.69Å; R381-D458 PolarHBondContact NE-OD1 3.25Å; R381-D458 VanDerWaalsContact NH1-CG 3.32Å; R381-D458 IonicContact NH1-OD1 3.83Å; R381-D458 PolarHBondContact NH1-OD1 2.91Å; R381-D458 IonicContact NH1-OD2 2.77Å; R381-D458 PolarHBondContact NH1-OD2 3.32Å; R381-D458 VanDerWaalsContact NH1-OD2 3.11Å; R381-D458 VanDerWaalsContact NH2-CG 3.31Å; R381-D458 IonicContact NH2-OD1 3.49Å; R381-D458 PolarHBondContact NH2-OD1 3.48Å; R381-D458 IonicContact NH2-OD2 3.88Å; R381-D458 PolarHBondContact NH2-OD2 3.22Å
382	F	88.6	Confident	80.5	Confident	78 Å²	78	69.1 Å²	69.1	34%	0.342	34%	0.337	S	S	.	.	H	α-helix	trans	-67.2	-43.7	177	-64.5	-78.8	0	0	0	111.5	Y368 L371 N378 E379 M380 K385 E386	Y368-F382 HydrophobicContact CE1-CB 4.34Å; L371-F382 HydrophobicContact CD1-CE2 4.19Å; L371-F382 HydrophobicContact CD1-CZ 4.08Å; L371-F382 HydrophobicContact CD2-CB 4.33Å; L371-F382 HydrophobicContact CD2-CD1 4.26Å; L371-F382 HydrophobicContact CD2-CD2 3.61Å; L371-F382 HydrophobicContact CD2-CE1 4.47Å; L371-F382 HydrophobicContact CD2-CE2 3.85Å; L371-F382 HydrophobicContact CD2-CG 3.81Å; L371-F382 HydrophobicContact CD2-CZ 4.28Å; L371-F382 HydrophobicContact CG-CE2 4.37Å; N378-F382 WeakPolarHBondContact O-CD2 3.37Å; E379-F382 PolarHBondContact O-N 2.88Å; E379-F382 VanDerWaalsContact O-N 3.14Å; M380-F382 PolarHBondContact O-N 2.91Å; F382-K385 PolarHBondContact O-N 2.7Å; F382-E386 WeakPolarHBondContact O-CG 3.18Å; F382-E386 PolarHBondContact O-N 3.44Å
383	Y	91.3	Very high	81.5	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-68.8	-38.3	177.5	-54.7	-60.1	0	0	0	112.1	Y368 E379 M380 E386 Y387 I400 L404 L407 F413	Y368-Y383 AromaticContact CD1-CE1 3.59Å; Y368-Y383 HydrophobicContact CD1-CE1 3.59Å; Y368-Y383 AromaticContact CD1-CZ 3.96Å; Y368-Y383 HydrophobicContact CD2-CE1 4.43Å; Y368-Y383 AromaticContact CE1-CD1 3.92Å; Y368-Y383 HydrophobicContact CE1-CD1 3.92Å; Y368-Y383 AromaticContact CE1-CE1 3.4Å; Y368-Y383 HydrophobicContact CE1-CE1 3.4Å; Y368-Y383 HydrophobicContact CE2-CE1 4.26Å; Y368-Y383 HydrophobicContact CG-CE1 4.12Å; Y368-Y383 AromaticContact CZ-CE1 3.75Å; E379-Y383 HydrophobicContact CG-CE2 3.81Å; E379-Y383 WeakPolarHBondContact O-CD2 3.31Å; E379-Y383 WeakPolarHBondContact OE1-CE2 3.3Å; E379-Y383 PolarHBondContact OE1-OH 2.71Å; M380-Y383 PolarHBondContact O-N 3.32Å; M380-Y383 VanDerWaalsContact O-N 3.15Å; Y383-E386 PolarHBondContact O-N 3.09Å; Y383-Y387 PolarHBondContact O-N 2.98Å; Y383-I400 HydrophobicContact CD1-CG2 3.98Å; Y383-I400 HydrophobicContact CG-CG2 4.14Å; Y383-L404 HydrophobicContact CD1-CD2 4.09Å; Y383-L404 HydrophobicContact CD2-CD2 3.72Å; Y383-L404 HydrophobicContact CE1-CD2 3.75Å; Y383-L404 HydrophobicContact CE2-CD2 3.37Å; Y383-L404 HydrophobicContact CG-CD2 4.08Å; Y383-L407 VanDerWaalsContact OH-CD1 3.27Å; Y383-L407 WeakPolarHBondContact OH-CD1 3.45Å; Y383-F413 HydrophobicContact CD2-CE1 4.38Å; Y383-F413 HydrophobicContact CE2-CE1 4.18Å; Y383-F413 HydrophobicContact CE2-CZ 4.21Å
384	E	92.2	Very high	82.8	Confident	27 Å²	27	68 Å²	68	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-61	-46.3	172.9	-67.3	173.9	-175.5	0	0	111.5	M380 Y387 L388 W417 W420 Y459	M380-E384 HydrophobicContact CG-CG 4.24Å; M380-E384 WeakPolarHBondContact CG-OE1 3.23Å; M380-E384 WeakPolarHBondContact O-CG 3.33Å; M380-E384 PolarHBondContact O-N 2.96Å; E384-Y387 PolarHBondContact O-N 2.65Å; E384-L388 WeakPolarHBondContact O-CB 3.28Å; E384-L388 VanDerWaalsContact O-CG 3.27Å; E384-L388 WeakPolarHBondContact O-CG 3.48Å; E384-L388 PolarHBondContact O-N 3.25Å; E384-W417 HydrophobicContact CG-CZ3 4.23Å; E384-W420 HydrophobicContact CB-CH2 4.18Å; E384-W420 HydrophobicContact CB-CZ2 3.8Å; E384-W420 VanDerWaalsContact CD-NE1 3.29Å; E384-W420 HydrophobicContact CG-CD2 4.13Å; E384-W420 HydrophobicContact CG-CH2 4.25Å; E384-W420 HydrophobicContact CG-CZ2 3.65Å; E384-W420 PolarHBondContact OE1-NE1 2.93Å; E384-W420 VanDerWaalsContact OE1-NE1 3.15Å; E384-Y459 WeakPolarHBondContact CB-OH 3.5Å; E384-Y459 PolarHBondContact OE2-OH 2.97Å
385	K	90.7	Very high	84.7	Confident	61 Å²	61	62.8 Å²	62.8	27%	0.265	31%	0.313	S	S	.	.	H	α-helix	trans	-59.1	-49.5	176.9	-176.3	175.3	-179.3	175.7	0	111	R381 F382 Y387 L388 L389 C455 E456	R381-K385 WeakPolarHBondContact O-CB 3.33Å; R381-K385 PolarHBondContact O-N 2.93Å; F382-K385 PolarHBondContact O-N 2.7Å; K385-Y387 VanDerWaalsContact C-N 3.31Å; K385-Y387 PolarHBondContact O-N 3.3Å; K385-L388 PolarHBondContact O-N 3.26Å; K385-L389 HydrophobicContact CD-CD1 4.41Å; K385-L389 HydrophobicContact CG-CD1 3.78Å; K385-L389 HydrophobicContact CG-CG 4.26Å; K385-L389 WeakPolarHBondContact O-CB 3.39Å; K385-L389 VanDerWaalsContact O-CG 3.29Å; K385-L389 WeakPolarHBondContact O-CG 3.48Å; K385-L389 PolarHBondContact O-N 2.86Å; K385-C455 HydrophobicContact CD-CB 4.44Å; K385-C455 HydrophobicContact CG-CB 4.05Å; K385-E456 IonicContact NZ-OE1 3.77Å
386	E	91	Very high	86.6	Confident	51 Å²	51	55.5 Å²	55.5	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-42.6	177.5	-74.8	-66.4	109.1	0	0	112.4	Y368 F382 Y383 S390 I400	Y368-E386 WeakPolarHBondContact OH-CG 3.31Å; F382-E386 WeakPolarHBondContact O-CG 3.18Å; F382-E386 PolarHBondContact O-N 3.44Å; Y383-E386 PolarHBondContact O-N 3.09Å; E386-S390 PolarHBondContact O-N 3.35Å; E386-I400 HydrophobicContact CB-CD1 4.22Å
387	Y	94.5	Very high	88.3	Confident	41 Å²	41	51.9 Å²	51.9	16%	0.161	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-45.3	176.1	173.4	-84.3	0	0	0	112	Y383 E384 K385 L389 S390 P393 I396 K397 W417 W420 S422	Y383-Y387 PolarHBondContact O-N 2.98Å; E384-Y387 PolarHBondContact O-N 2.65Å; K385-Y387 VanDerWaalsContact C-N 3.31Å; K385-Y387 PolarHBondContact O-N 3.3Å; Y387-L389 VanDerWaalsContact C-N 3.34Å; Y387-L389 PolarHBondContact O-N 3.32Å; Y387-S390 WeakPolarHBondContact O-CB 3.4Å; Y387-S390 PolarHBondContact O-N 3.35Å; Y387-P393 HydrophobicContact CE2-CB 3.84Å; Y387-I396 HydrophobicContact CD2-CG2 3.57Å; Y387-I396 HydrophobicContact CE2-CG2 4.17Å; Y387-I396 HydrophobicContact CG-CG2 4.29Å; Y387-K397 HydrophobicContact CD2-CB 3.98Å; Y387-K397 HydrophobicContact CD2-CD 3.82Å; Y387-K397 HydrophobicContact CE2-CB 3.79Å; Y387-K397 HydrophobicContact CE2-CD 3.8Å; Y387-K397 HydrophobicContact CE2-CG 4.34Å; Y387-W417 HydrophobicContact CG-CH2 4.41Å; Y387-W420 AromaticContact CD1-CH2 3.84Å; Y387-W420 HydrophobicContact CD1-CH2 3.84Å; Y387-W420 AromaticContact CD1-CZ3 3.57Å; Y387-W420 HydrophobicContact CD1-CZ3 3.57Å; Y387-W420 HydrophobicContact CE1-CH2 4.34Å; Y387-W420 AromaticContact CE1-CZ3 3.89Å; Y387-W420 HydrophobicContact CE1-CZ3 3.89Å; Y387-W420 HydrophobicContact CG-CZ3 4.13Å; Y387-S422 VanDerWaalsContact CE1-CB 3.46Å
388	L	93	Very high	90	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-70.1	-29.9	-176.6	-71	170.8	0	0	0	113.3	E384 K385 S390 W420 P423 R451 W454 Y459	E384-L388 WeakPolarHBondContact O-CB 3.28Å; E384-L388 VanDerWaalsContact O-CG 3.27Å; E384-L388 WeakPolarHBondContact O-CG 3.48Å; E384-L388 PolarHBondContact O-N 3.25Å; K385-L388 PolarHBondContact O-N 3.26Å; L388-S390 VanDerWaalsContact C-N 3.33Å; L388-W420 HydrophobicContact CD1-CH2 4.28Å; L388-W420 HydrophobicContact CD1-CZ2 4.39Å; L388-W420 HydrophobicContact CD2-CH2 4.1Å; L388-W420 HydrophobicContact CG-CH2 4.03Å; L388-P423 HydrophobicContact CD1-CG 4.17Å; L388-P423 HydrophobicContact CD2-CG 4.42Å; L388-R451 WeakPolarHBondContact O-CD 3.48Å; L388-W454 HydrophobicContact CD1-CZ3 3.95Å; L388-W454 HydrophobicContact CD2-CH2 4.5Å; L388-W454 HydrophobicContact CD2-CZ3 4.06Å; L388-W454 HydrophobicContact CG-CZ3 4.43Å; L388-Y459 HydrophobicContact CD1-CD1 3.82Å; L388-Y459 HydrophobicContact CD1-CE1 3.23Å
389	L	92	Very high	91.1	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-79.5	-16.1	175.6	-67.6	-179.7	0	0	0	113.1	K385 Y387 F448 R451 E452	K385-L389 HydrophobicContact CD-CD1 4.41Å; K385-L389 HydrophobicContact CG-CD1 3.78Å; K385-L389 HydrophobicContact CG-CG 4.26Å; K385-L389 WeakPolarHBondContact O-CB 3.39Å; K385-L389 VanDerWaalsContact O-CG 3.29Å; K385-L389 WeakPolarHBondContact O-CG 3.48Å; K385-L389 PolarHBondContact O-N 2.86Å; Y387-L389 VanDerWaalsContact C-N 3.34Å; Y387-L389 PolarHBondContact O-N 3.32Å; L389-F448 HydrophobicContact CB-CE2 3.86Å; L389-F448 HydrophobicContact CB-CZ 4.45Å; L389-F448 HydrophobicContact CD1-CZ 4.29Å; L389-F448 HydrophobicContact CD2-CE2 4.3Å; L389-F448 HydrophobicContact CG-CE2 4.45Å; L389-R451 HydrophobicContact CD2-CB 3.72Å; L389-E452 HydrophobicContact CD1-CG 4.09Å; L389-E452 HydrophobicContact CD2-CB 4.36Å; L389-E452 HydrophobicContact CD2-CG 3.65Å
390	S	90.2	Very high	91.6	Very high	24 Å²	24	39.1 Å²	39.1	17%	0.168	20%	0.197	C	C	.	.			trans	-74.6	138	178.6	-173.7	0	0	0	0	112.9	E386 Y387 L388 E392	E386-S390 PolarHBondContact O-N 3.35Å; Y387-S390 WeakPolarHBondContact O-CB 3.4Å; Y387-S390 PolarHBondContact O-N 3.35Å; L388-S390 VanDerWaalsContact C-N 3.33Å; S390-E392 VanDerWaalsContact C-N 3.32Å; S390-E392 PolarHBondContact OG-N 3.31Å; S390-E392 VanDerWaalsContact OG-N 3.13Å
391	F	86	Confident	92	Very high	60 Å²	60	39 Å²	39	26%	0.263	20%	0.197	S	C	.	.	S	Bend	trans	-86.3	-1.5	170	-68.3	-85.3	0	0	0	113.2	P393 R444 F448 P488	F391-P393 VanDerWaalsContact C-CD 3.49Å; F391-R444 HydrophobicContact CE1-CB 4.45Å; F391-R444 HydrophobicContact CE1-CG 4.17Å; F391-R444 HydrophobicContact CZ-CB 4.15Å; F391-R444 HydrophobicContact CZ-CG 4.35Å; F391-R444 WeakPolarHBondContact CZ-O 3.31Å; F391-F448 HydrophobicContact CE2-CB 4.22Å; F391-F448 HydrophobicContact CE2-CD2 4.03Å; F391-F448 HydrophobicContact CZ-CB 4.2Å; F391-P488 HydrophobicContact CD2-CB 4Å; F391-P488 HydrophobicContact CD2-CG 3.85Å; F391-P488 HydrophobicContact CE2-CB 3.99Å; F391-P488 HydrophobicContact CE2-CG 3.77Å
392	E	88.7	Confident	92.4	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.379	19%	0.186	S	C	.	.			trans	-128.1	67.3	179	-62.1	-170	98.5	0	0	112.2	S390 S394 K395 I396	S390-E392 VanDerWaalsContact C-N 3.32Å; S390-E392 PolarHBondContact OG-N 3.31Å; S390-E392 VanDerWaalsContact OG-N 3.13Å; E392-S394 PolarHBondContact O-N 2.73Å; E392-S394 VanDerWaalsContact O-N 3.14Å; E392-K395 HydrophobicContact CB-CB 4.45Å; E392-K395 HydrophobicContact CB-CD 4.37Å; E392-K395 PolarHBondContact O-N 3.32Å; E392-K395 WeakPolarHBondContact OE1-CE 3.47Å; E392-K395 IonicContact OE1-NZ 3.79Å; E392-K395 PolarHBondContact OE1-NZ 3.43Å; E392-K395 IonicContact OE2-NZ 2.76Å; E392-I396 PolarHBondContact O-N 3.05Å
393	P	87.6	Confident	92.7	Very high	56 Å²	56	32.2 Å²	32.2	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-55.8	-36.4	-174.2	-26.8	35.6	0	0	0	114.2	Y387 F391 K395 K397	Y387-P393 HydrophobicContact CE2-CB 3.84Å; F391-P393 VanDerWaalsContact C-CD 3.49Å; P393-K395 PolarHBondContact O-N 3.13Å; P393-K397 WeakPolarHBondContact O-CB 3.34Å; P393-K397 PolarHBondContact O-N 2.98Å; P393-K397 VanDerWaalsContact O-N 3.16Å
394	S	91	Very high	92.7	Very high	100 Å²	100	32.2 Å²	32.2	70%	0.699	17%	0.17	S	C	*	.	H	α-helix	trans	-66.6	-18.7	-179.4	66.6	0	0	0	0	113.9	E392 P398	E392-S394 PolarHBondContact O-N 2.73Å; E392-S394 VanDerWaalsContact O-N 3.14Å; S394-P398 WeakPolarHBondContact O-CD 3.26Å
395	K	93.7	Very high	92.8	Very high	46 Å²	46	32.7 Å²	32.7	20%	0.2	17%	0.171	C	C	.	.	H	α-helix	trans	-104.2	-38.1	177.5	-60.3	-179.8	-176.3	166.8	0	112.1	L353 T356 E392 P393 P398 A399	L353-K395 HydrophobicContact CD1-CB 4.45Å; T356-K395 HydrophobicContact CG2-CB 4.06Å; E392-K395 HydrophobicContact CB-CB 4.45Å; E392-K395 HydrophobicContact CB-CD 4.37Å; E392-K395 PolarHBondContact O-N 3.32Å; E392-K395 WeakPolarHBondContact OE1-CE 3.47Å; E392-K395 IonicContact OE1-NZ 3.79Å; E392-K395 PolarHBondContact OE1-NZ 3.43Å; E392-K395 IonicContact OE2-NZ 2.76Å; P393-K395 PolarHBondContact O-N 3.13Å; K395-P398 WeakPolarHBondContact O-CD 3.37Å; K395-A399 PolarHBondContact O-N 3.41Å
396	I	94.7	Very high	92.9	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-71.2	-34.4	-176.9	-156.5	65.3	0	0	0	112	Y360 Y387 E392 A399 I400	Y360-I396 HydrophobicContact CD2-CD1 3.68Å; Y360-I396 HydrophobicContact CE2-CD1 3.66Å; Y387-I396 HydrophobicContact CD2-CG2 3.57Å; Y387-I396 HydrophobicContact CE2-CG2 4.17Å; Y387-I396 HydrophobicContact CG-CG2 4.29Å; E392-I396 PolarHBondContact O-N 3.05Å; I396-A399 PolarHBondContact O-N 2.88Å; I396-I400 HydrophobicContact CG1-CD1 3.92Å; I396-I400 HydrophobicContact CG1-CG1 4.25Å; I396-I400 WeakPolarHBondContact O-CG1 3.48Å; I396-I400 PolarHBondContact O-N 3.34Å
397	K	95.1	Very high	92.9	Very high	35 Å²	35	28.1 Å²	28.1	15%	0.152	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-49.4	178.1	-171.6	86.9	-172.6	175.6	0	111.6	Y387 P393 A399 T401 W417	Y387-K397 HydrophobicContact CD2-CB 3.98Å; Y387-K397 HydrophobicContact CD2-CD 3.82Å; Y387-K397 HydrophobicContact CE2-CB 3.79Å; Y387-K397 HydrophobicContact CE2-CD 3.8Å; Y387-K397 HydrophobicContact CE2-CG 4.34Å; P393-K397 WeakPolarHBondContact O-CB 3.34Å; P393-K397 PolarHBondContact O-N 2.98Å; P393-K397 VanDerWaalsContact O-N 3.16Å; K397-A399 PolarHBondContact O-N 3.49Å; K397-T401 WeakPolarHBondContact O-CB 3.47Å; K397-T401 PolarHBondContact O-N 2.86Å; K397-T401 PolarHBondContact O-OG1 2.87Å; K397-W417 HydrophobicContact CD-CH2 4.16Å; K397-W417 HydrophobicContact CD-CZ2 3.47Å; K397-W417 VanDerWaalsContact CD-CZ2 3.47Å; K397-W417 VanDerWaalsContact CE-CE2 3.4Å; K397-W417 WeakPolarHBondContact CE-O 3.26Å; K397-W417 HydrophobicContact CG-CZ2 4.41Å; K397-W417 PolarHBondContact NZ-O 3.46Å
398	P	95.8	Very high	92.7	Very high	42 Å²	42	27.1 Å²	27.1	27%	0.273	15%	0.154	S	C	.	.	H	α-helix	trans	-57.3	-43.9	170.2	-26.9	33.7	0	0	0	113.7	L353 I357 S394 K395 T401 E402	L353-P398 HydrophobicContact CD1-CB 3.94Å; L353-P398 HydrophobicContact CD1-CG 4.06Å; I357-P398 HydrophobicContact CD1-CB 4.47Å; S394-P398 WeakPolarHBondContact O-CD 3.26Å; K395-P398 WeakPolarHBondContact O-CD 3.37Å; P398-T401 WeakPolarHBondContact O-CB 3.34Å; P398-T401 PolarHBondContact O-N 3.45Å; P398-E402 PolarHBondContact O-N 3.3Å
399	A	96.7	Very high	92.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-45.4	-178.6	0	0	0	0	0	113.1	T356 I357 Y360 K395 I396 K397 T401 E402 M403	T356-A399 HydrophobicContact CG2-CB 4.12Å; I357-A399 HydrophobicContact CG1-CB 4.24Å; Y360-A399 HydrophobicContact CD1-CB 4.14Å; Y360-A399 HydrophobicContact CG-CB 3.94Å; K395-A399 PolarHBondContact O-N 3.41Å; I396-A399 PolarHBondContact O-N 2.88Å; K397-A399 PolarHBondContact O-N 3.49Å; A399-T401 VanDerWaalsContact C-N 3.33Å; A399-E402 PolarHBondContact O-N 3.35Å; A399-M403 PolarHBondContact O-N 3.36Å
400	I	95.7	Very high	92.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-43.6	173.3	-67.6	167	0	0	0	110.2	Y360 Y383 E386 I396 E402 M403 L404 W417	Y360-I400 HydrophobicContact CE1-CG1 4.02Å; Y360-I400 HydrophobicContact CE2-CG1 4.44Å; Y383-I400 HydrophobicContact CD1-CG2 3.98Å; Y383-I400 HydrophobicContact CG-CG2 4.14Å; E386-I400 HydrophobicContact CB-CD1 4.22Å; I396-I400 HydrophobicContact CG1-CD1 3.92Å; I396-I400 HydrophobicContact CG1-CG1 4.25Å; I396-I400 WeakPolarHBondContact O-CG1 3.48Å; I396-I400 PolarHBondContact O-N 3.34Å; I400-E402 VanDerWaalsContact C-N 3.28Å; I400-E402 PolarHBondContact O-N 3.3Å; I400-M403 WeakPolarHBondContact O-CA 3.49Å; I400-M403 WeakPolarHBondContact O-CB 3.49Å; I400-M403 PolarHBondContact O-N 3.39Å; I400-M403 VanDerWaalsContact O-N 3.09Å; I400-L404 HydrophobicContact CG2-CD1 4.48Å; I400-L404 HydrophobicContact CG2-CG 4.39Å; I400-L404 WeakPolarHBondContact O-CG 3.42Å; I400-L404 PolarHBondContact O-N 2.87Å; I400-W417 HydrophobicContact CB-CH2 4.43Å; I400-W417 HydrophobicContact CB-CZ2 3.67Å; I400-W417 HydrophobicContact CD1-CH2 3.88Å; I400-W417 HydrophobicContact CD1-CZ2 3.85Å; I400-W417 HydrophobicContact CG1-CZ2 4.37Å; I400-W417 HydrophobicContact CG2-CD2 4.35Å; I400-W417 HydrophobicContact CG2-CH2 3.88Å; I400-W417 HydrophobicContact CG2-CZ2 3.32Å
401	T	95.6	Very high	92.5	Very high	13 Å²	13	37.9 Å²	37.9	8%	0.08	20%	0.201	C	C	.	.	H	α-helix	trans	-56.3	-46.7	179.2	-55.2	0	0	0	0	110.7	K397 P398 A399 L404 K405 I414 W417 L418	K397-T401 WeakPolarHBondContact O-CB 3.47Å; K397-T401 PolarHBondContact O-N 2.86Å; K397-T401 PolarHBondContact O-OG1 2.87Å; P398-T401 WeakPolarHBondContact O-CB 3.34Å; P398-T401 PolarHBondContact O-N 3.45Å; A399-T401 VanDerWaalsContact C-N 3.33Å; T401-L404 WeakPolarHBondContact O-CB 3.16Å; T401-L404 PolarHBondContact O-N 3.42Å; T401-K405 WeakPolarHBondContact O-CG 3.48Å; T401-K405 PolarHBondContact O-N 3.27Å; T401-I414 HydrophobicContact CG2-CG2 4.39Å; T401-W417 PolarHBondContact OG1-NE1 2.87Å; T401-L418 HydrophobicContact CG2-CD2 4.09Å
402	E	95.7	Very high	92.7	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.061	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-34.2	176.8	-69.5	-53.9	142.8	0	0	113.3	N326 T329 I357 I361 P398 A399 I400 L404 K405 Y406	N326-E402 WeakPolarHBondContact CB-OE2 3.49Å; N326-E402 PolarHBondContact ND2-OE1 2.89Å; N326-E402 VanDerWaalsContact ND2-OE1 3.12Å; N326-E402 PolarHBondContact ND2-OE2 3.18Å; T329-E402 WeakPolarHBondContact OG1-CB 3.38Å; T329-E402 PolarHBondContact OG1-OE2 2.84Å; I357-E402 HydrophobicContact CD1-CG 4.31Å; I357-E402 HydrophobicContact CG2-CB 3.73Å; I357-E402 HydrophobicContact CG2-CG 3.94Å; I361-E402 HydrophobicContact CD1-CB 4.24Å; P398-E402 PolarHBondContact O-N 3.3Å; A399-E402 PolarHBondContact O-N 3.35Å; I400-E402 VanDerWaalsContact C-N 3.28Å; I400-E402 PolarHBondContact O-N 3.3Å; E402-L404 VanDerWaalsContact C-N 3.34Å; E402-L404 PolarHBondContact O-N 2.97Å; E402-K405 WeakPolarHBondContact O-CB 3.17Å; E402-K405 PolarHBondContact O-N 3.19Å; E402-K405 WeakPolarHBondContact OE1-CE 3.49Å; E402-K405 IonicContact OE1-NZ 2.96Å; E402-K405 PolarHBondContact OE1-NZ 2.67Å; E402-K405 IonicContact OE2-NZ 2.69Å; E402-Y406 WeakPolarHBondContact O-CB 3.35Å; E402-Y406 PolarHBondContact O-N 2.96Å
403	M	94.6	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-43.8	168.9	178.6	66.6	84.6	0	0	111.7	Y360 I361 K364 R365 Y368 A399 I400 K405 Y406 L407	Y360-M403 HydrophobicContact CD1-CB 4.11Å; Y360-M403 HydrophobicContact CD1-CE 3.91Å; Y360-M403 HydrophobicContact CE1-CB 3.83Å; Y360-M403 HydrophobicContact CE1-CE 3.87Å; Y360-M403 HydrophobicContact CE1-CG 4.15Å; Y360-M403 WeakPolarHBondContact O-CE 3.32Å; I361-M403 HydrophobicContact CB-CE 4.41Å; I361-M403 HydrophobicContact CG1-CE 4.4Å; K364-M403 HydrophobicContact CB-CE 3.58Å; R365-M403 HydrophobicContact CB-CE 4.41Å; R365-M403 HydrophobicContact CB-SD 4.32Å; Y368-M403 HydrophobicContact CD2-CE 3.95Å; Y368-M403 HydrophobicContact CD2-CG 4.15Å; Y368-M403 HydrophobicContact CD2-SD 4.29Å; Y368-M403 HydrophobicContact CE2-CE 4.4Å; A399-M403 PolarHBondContact O-N 3.36Å; I400-M403 WeakPolarHBondContact O-CA 3.49Å; I400-M403 WeakPolarHBondContact O-CB 3.49Å; I400-M403 PolarHBondContact O-N 3.39Å; I400-M403 VanDerWaalsContact O-N 3.09Å; M403-K405 VanDerWaalsContact C-N 3.27Å; M403-K405 PolarHBondContact O-N 2.95Å; M403-Y406 WeakPolarHBondContact O-CA 3.24Å; M403-Y406 VanDerWaalsContact O-CB 3.3Å; M403-Y406 WeakPolarHBondContact O-CB 3.31Å; M403-Y406 PolarHBondContact O-N 2.92Å; M403-Y406 VanDerWaalsContact O-N 3.12Å; M403-L407 HydrophobicContact CG-CD1 3.91Å; M403-L407 HydrophobicContact CG-CG 4.31Å; M403-L407 VanDerWaalsContact O-CG 3.28Å; M403-L407 WeakPolarHBondContact O-CG 3.4Å; M403-L407 PolarHBondContact O-N 3.13Å; M403-L407 HydrophobicContact SD-CD1 4.28Å; M403-L407 HydrophobicContact SD-CG 4.18Å
404	L	93	Very high	93.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-39.3	177.3	-61.9	177.5	0	0	0	111.4	Y383 I400 T401 E402 L407 G408 K409 F413 I414 W417	Y383-L404 HydrophobicContact CD1-CD2 4.09Å; Y383-L404 HydrophobicContact CD2-CD2 3.72Å; Y383-L404 HydrophobicContact CE1-CD2 3.75Å; Y383-L404 HydrophobicContact CE2-CD2 3.37Å; Y383-L404 HydrophobicContact CG-CD2 4.08Å; I400-L404 HydrophobicContact CG2-CD1 4.48Å; I400-L404 HydrophobicContact CG2-CG 4.39Å; I400-L404 WeakPolarHBondContact O-CG 3.42Å; I400-L404 PolarHBondContact O-N 2.87Å; T401-L404 WeakPolarHBondContact O-CB 3.16Å; T401-L404 PolarHBondContact O-N 3.42Å; E402-L404 VanDerWaalsContact C-N 3.34Å; E402-L404 PolarHBondContact O-N 2.97Å; L404-L407 PolarHBondContact O-N 3.18Å; L404-G408 PolarHBondContact O-N 2.91Å; L404-K409 HydrophobicContact CB-CB 4.3Å; L404-K409 HydrophobicContact CB-CG 4.24Å; L404-K409 HydrophobicContact CD2-CG 4.23Å; L404-K409 WeakPolarHBondContact O-CB 3.31Å; L404-K409 WeakPolarHBondContact O-CG 3.47Å; L404-K409 PolarHBondContact O-N 3.34Å; L404-F413 HydrophobicContact CD1-CD1 4.35Å; L404-F413 HydrophobicContact CD1-CE1 4.26Å; L404-F413 HydrophobicContact CD2-CD1 4.45Å; L404-F413 HydrophobicContact CD2-CE1 3.92Å; L404-I414 HydrophobicContact CB-CG1 4.14Å; L404-W417 HydrophobicContact CD1-CB 3.78Å; L404-W417 HydrophobicContact CD1-CD2 4.23Å; L404-W417 HydrophobicContact CD1-CG 3.6Å
405	K	93.5	Very high	93.2	Very high	37 Å²	37	35.3 Å²	35.3	16%	0.161	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-43.5	173.5	-51.6	-166.3	-176.1	158.4	0	111.7	I320 L321 T401 E402 M403 L407 G408 I414	I320-K405 HydrophobicContact CD1-CB 4.4Å; I320-K405 HydrophobicContact CD1-CD 3.55Å; I320-K405 HydrophobicContact CD1-CG 3.71Å; I320-K405 HydrophobicContact CG1-CB 4.16Å; I320-K405 HydrophobicContact CG1-CD 4.07Å; I320-K405 HydrophobicContact CG1-CG 4.02Å; L321-K405 HydrophobicContact CD2-CB 4.13Å; L321-K405 HydrophobicContact CG-CB 4.16Å; T401-K405 WeakPolarHBondContact O-CG 3.48Å; T401-K405 PolarHBondContact O-N 3.27Å; E402-K405 WeakPolarHBondContact O-CB 3.17Å; E402-K405 PolarHBondContact O-N 3.19Å; E402-K405 WeakPolarHBondContact OE1-CE 3.49Å; E402-K405 IonicContact OE1-NZ 2.96Å; E402-K405 PolarHBondContact OE1-NZ 2.67Å; E402-K405 IonicContact OE2-NZ 2.69Å; M403-K405 VanDerWaalsContact C-N 3.27Å; M403-K405 PolarHBondContact O-N 2.95Å; K405-L407 VanDerWaalsContact C-N 3.29Å; K405-L407 PolarHBondContact O-N 3.14Å; K405-G408 PolarHBondContact O-N 3.46Å; K405-I414 HydrophobicContact CG-CD1 4.06Å
406	Y	93.6	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.5	-42.9	176.5	-169.1	-84.5	0	0	0	111.5	E311 I315 T329 A332 A333 I361 R365 E402 M403 G408	E311-Y406 PolarHBondContact OE1-OH 2.81Å; I315-Y406 HydrophobicContact CD1-CD1 4.19Å; I315-Y406 HydrophobicContact CD1-CE1 3.94Å; I315-Y406 VanDerWaalsContact CD1-O 3.28Å; I315-Y406 WeakPolarHBondContact CD1-O 3.38Å; I315-Y406 HydrophobicContact CG1-CD1 4.42Å; I315-Y406 HydrophobicContact CG1-CE1 3.98Å; I315-Y406 HydrophobicContact CG1-CE2 4.23Å; I315-Y406 HydrophobicContact CG2-CD2 4.07Å; I315-Y406 HydrophobicContact CG2-CE2 4.3Å; I315-Y406 HydrophobicContact CG2-CG 4.33Å; T329-Y406 HydrophobicContact CG2-CD2 3.85Å; T329-Y406 HydrophobicContact CG2-CG 4.45Å; A332-Y406 HydrophobicContact CB-CE2 4.18Å; A333-Y406 HydrophobicContact CB-CE2 3.89Å; I361-Y406 HydrophobicContact CD1-CD2 4.49Å; I361-Y406 HydrophobicContact CG2-CD1 4.28Å; I361-Y406 HydrophobicContact CG2-CD2 3.64Å; I361-Y406 HydrophobicContact CG2-CE1 4.39Å; I361-Y406 HydrophobicContact CG2-CE2 3.73Å; I361-Y406 HydrophobicContact CG2-CG 3.91Å; R365-Y406 HydrophobicContact CB-CD1 4.25Å; R365-Y406 HydrophobicContact CB-CE1 3.87Å; R365-Y406 VanDerWaalsContact CD-OH 3.29Å; R365-Y406 WeakPolarHBondContact CD-OH 3.14Å; R365-Y406 HydrophobicContact CG-CE1 4.44Å; R365-Y406 PolarHBondContact NH1-OH 2.7Å; E402-Y406 WeakPolarHBondContact O-CB 3.35Å; E402-Y406 PolarHBondContact O-N 2.96Å; M403-Y406 WeakPolarHBondContact O-CA 3.24Å; M403-Y406 VanDerWaalsContact O-CB 3.3Å; M403-Y406 WeakPolarHBondContact O-CB 3.31Å; M403-Y406 PolarHBondContact O-N 2.92Å; M403-Y406 VanDerWaalsContact O-N 3.12Å; Y406-G408 PolarHBondContact O-N 3.3Å
407	L	91.2	Very high	93.3	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.089	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-5.2	178.4	-63.8	169.2	0	0	0	113.5	Y368 L369 Y383 M403 L404 K405 K409	Y368-L407 HydrophobicContact CG-CD1 4.27Å; L369-L407 HydrophobicContact CD2-CD2 3.69Å; L369-L407 HydrophobicContact CG-CD2 3.75Å; Y383-L407 VanDerWaalsContact OH-CD1 3.27Å; Y383-L407 WeakPolarHBondContact OH-CD1 3.45Å; M403-L407 HydrophobicContact CG-CD1 3.91Å; M403-L407 HydrophobicContact CG-CG 4.31Å; M403-L407 VanDerWaalsContact O-CG 3.28Å; M403-L407 WeakPolarHBondContact O-CG 3.4Å; M403-L407 PolarHBondContact O-N 3.13Å; M403-L407 HydrophobicContact SD-CD1 4.28Å; M403-L407 HydrophobicContact SD-CG 4.18Å; L404-L407 PolarHBondContact O-N 3.18Å; K405-L407 VanDerWaalsContact C-N 3.29Å; K405-L407 PolarHBondContact O-N 3.14Å; L407-K409 HydrophobicContact CB-CG 4.39Å
408	G	90.4	Very high	93.3	Very high	20 Å²	20	42.1 Å²	42.1	21%	0.206	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	25.5	-178.9	0	0	0	0	0	113.8	K318 L404 K405 Y406	K318-G408 VanDerWaalsContact O-CA 3.3Å; K318-G408 WeakPolarHBondContact O-CA 3.4Å; L404-G408 PolarHBondContact O-N 2.91Å; K405-G408 PolarHBondContact O-N 3.46Å; Y406-G408 PolarHBondContact O-N 3.3Å
409	K	89.4	Confident	93.3	Very high	32 Å²	32	46.9 Å²	46.9	14%	0.139	24%	0.235	C	C	.	.			trans	-64.2	141.3	175.9	-62.3	-57.4	-177.6	176.6	0	110.9	E379 L404 L407 F413 I414	E379-K409 WeakPolarHBondContact OE1-CE 3.33Å; E379-K409 IonicContact OE1-NZ 3.62Å; E379-K409 PolarHBondContact OE1-NZ 3Å; E379-K409 WeakPolarHBondContact OE2-CE 3.44Å; E379-K409 IonicContact OE2-NZ 3.17Å; E379-K409 PolarHBondContact OE2-NZ 3.16Å; L404-K409 HydrophobicContact CB-CB 4.3Å; L404-K409 HydrophobicContact CB-CG 4.24Å; L404-K409 HydrophobicContact CD2-CG 4.23Å; L404-K409 WeakPolarHBondContact O-CB 3.31Å; L404-K409 WeakPolarHBondContact O-CG 3.47Å; L404-K409 PolarHBondContact O-N 3.34Å; L407-K409 HydrophobicContact CB-CG 4.39Å; K409-F413 HydrophobicContact CB-CB 4.37Å; K409-F413 HydrophobicContact CB-CD1 4.16Å; K409-F413 HydrophobicContact CB-CG 4.43Å; K409-F413 HydrophobicContact CG-CD1 4.19Å; K409-F413 HydrophobicContact CG-CE1 4.49Å; K409-I414 HydrophobicContact CB-CG1 4.26Å; K409-I414 WeakPolarHBondContact O-CD1 3.48Å
410	D	88.7	Confident	93.2	Very high	98 Å²	98	49.2 Å²	49.2	52%	0.524	24%	0.244	S	C	.	.			trans	-68.5	164.9	179.5	70.4	49.3	0	0	0	111.8	L412 F413 I414	D410-L412 VanDerWaalsContact C-N 3.27Å; D410-L412 PolarHBondContact O-N 3.29Å; D410-L412 WeakPolarHBondContact OD1-CA 3.36Å; D410-L412 WeakPolarHBondContact OD1-CB 3.48Å; D410-L412 PolarHBondContact OD1-N 3.41Å; D410-F413 PolarHBondContact O-N 3.39Å; D410-F413 PolarHBondContact OD1-N 3.45Å; D410-I414 WeakPolarHBondContact O-CG1 3.44Å; D410-I414 PolarHBondContact O-N 3.39Å; D410-I414 VanDerWaalsContact O-N 3.14Å
411	K	90.8	Very high	93	Very high	141 Å²	141	57.7 Å²	57.7	61%	0.613	28%	0.284	S	S	*	.	H	α-helix	trans	-59.6	-37.6	-178.6	-175.4	177.2	177.6	-178.6	0	112.3	I414 D415	K411-I414 PolarHBondContact O-N 3.11Å; K411-D415 WeakPolarHBondContact O-CB 3.16Å; K411-D415 PolarHBondContact O-N 3.19Å
412	L	91.5	Very high	92.8	Very high	139 Å²	139	59.7 Å²	59.7	73%	0.728	30%	0.298	S	S	*	.	H	α-helix	trans	-66.4	-41.1	-177.8	-178.4	66.7	0	0	0	111.2	D410 D415 K416	D410-L412 VanDerWaalsContact C-N 3.27Å; D410-L412 PolarHBondContact O-N 3.29Å; D410-L412 WeakPolarHBondContact OD1-CA 3.36Å; D410-L412 WeakPolarHBondContact OD1-CB 3.48Å; D410-L412 PolarHBondContact OD1-N 3.41Å; L412-D415 PolarHBondContact O-N 2.86Å; L412-K416 WeakPolarHBondContact O-CB 3.49Å; L412-K416 PolarHBondContact O-N 3Å
413	F	91.6	Very high	92.7	Very high	33 Å²	33	61 Å²	61	15%	0.145	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-44.7	175.5	-167	-79.3	0	0	0	111.3	E379 M380 Y383 L404 K409 D410 K416 W417	E379-F413 HydrophobicContact CB-CZ 4.46Å; M380-F413 HydrophobicContact CB-CZ 4.38Å; M380-F413 HydrophobicContact CE-CD1 3.78Å; M380-F413 HydrophobicContact CE-CD2 4.22Å; M380-F413 HydrophobicContact CE-CE1 3.44Å; M380-F413 VanDerWaalsContact CE-CE1 3.44Å; M380-F413 HydrophobicContact CE-CE2 3.94Å; M380-F413 HydrophobicContact CE-CG 4.15Å; M380-F413 HydrophobicContact CE-CZ 3.54Å; M380-F413 HydrophobicContact SD-CE1 3.94Å; M380-F413 HydrophobicContact SD-CZ 4.07Å; Y383-F413 HydrophobicContact CD2-CE1 4.38Å; Y383-F413 HydrophobicContact CE2-CE1 4.18Å; Y383-F413 HydrophobicContact CE2-CZ 4.21Å; L404-F413 HydrophobicContact CD1-CD1 4.35Å; L404-F413 HydrophobicContact CD1-CE1 4.26Å; L404-F413 HydrophobicContact CD2-CD1 4.45Å; L404-F413 HydrophobicContact CD2-CE1 3.92Å; K409-F413 HydrophobicContact CB-CB 4.37Å; K409-F413 HydrophobicContact CB-CD1 4.16Å; K409-F413 HydrophobicContact CB-CG 4.43Å; K409-F413 HydrophobicContact CG-CD1 4.19Å; K409-F413 HydrophobicContact CG-CE1 4.49Å; D410-F413 PolarHBondContact O-N 3.39Å; D410-F413 PolarHBondContact OD1-N 3.45Å; F413-K416 PolarHBondContact O-N 3.23Å; F413-W417 PolarHBondContact O-N 3.46Å
414	I	92.5	Very high	92.6	Very high	7 Å²	7	70.3 Å²	70.3	4%	0.036	35%	0.348	C	S	.	.	H	α-helix	trans	-65.3	-42.4	178.1	-65.2	168.7	0	0	0	110.9	I320 T401 L404 K405 K409 D410 K411 K416 W417 L418	I320-I414 HydrophobicContact CD1-CD1 3.53Å; I320-I414 HydrophobicContact CG1-CD1 4.03Å; T401-I414 HydrophobicContact CG2-CG2 4.39Å; L404-I414 HydrophobicContact CB-CG1 4.14Å; K405-I414 HydrophobicContact CG-CD1 4.06Å; K409-I414 HydrophobicContact CB-CG1 4.26Å; K409-I414 WeakPolarHBondContact O-CD1 3.48Å; D410-I414 WeakPolarHBondContact O-CG1 3.44Å; D410-I414 PolarHBondContact O-N 3.39Å; D410-I414 VanDerWaalsContact O-N 3.14Å; K411-I414 PolarHBondContact O-N 3.11Å; I414-K416 VanDerWaalsContact C-N 3.34Å; I414-K416 PolarHBondContact O-N 3.4Å; I414-W417 WeakPolarHBondContact O-CB 3.47Å; I414-W417 PolarHBondContact O-N 3.14Å; I414-W417 VanDerWaalsContact O-N 3.15Å; I414-L418 HydrophobicContact CG2-CD1 4.01Å; I414-L418 HydrophobicContact CG2-CG 4.35Å; I414-L418 WeakPolarHBondContact O-CG 3.21Å; I414-L418 PolarHBondContact O-N 3.04Å
415	D	94.2	Very high	92.7	Very high	64 Å²	64	71.3 Å²	71.3	34%	0.342	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-41.7	177.4	-72.2	-15.9	0	0	0	110.7	K411 L412 W417 L418 L419	K411-D415 WeakPolarHBondContact O-CB 3.16Å; K411-D415 PolarHBondContact O-N 3.19Å; L412-D415 PolarHBondContact O-N 2.86Å; D415-W417 VanDerWaalsContact C-N 3.32Å; D415-W417 PolarHBondContact O-N 3.12Å; D415-L418 PolarHBondContact O-N 3.31Å; D415-L419 WeakPolarHBondContact O-CB 3.08Å; D415-L419 VanDerWaalsContact O-CG 3.28Å; D415-L419 WeakPolarHBondContact O-CG 3.19Å; D415-L419 PolarHBondContact O-N 2.9Å
416	K	94.4	Very high	92.8	Very high	135 Å²	135	71.8 Å²	71.8	59%	0.587	36%	0.36	S	S	*	.	H	α-helix	trans	-58.7	-42.9	172.5	-175.5	-178	175.9	-174	0	111.7	M380 L412 F413 I414 L419 W420	M380-K416 HydrophobicContact CE-CB 4.17Å; M380-K416 HydrophobicContact CE-CD 3.94Å; M380-K416 HydrophobicContact CE-CG 4.04Å; L412-K416 WeakPolarHBondContact O-CB 3.49Å; L412-K416 PolarHBondContact O-N 3Å; F413-K416 PolarHBondContact O-N 3.23Å; I414-K416 VanDerWaalsContact C-N 3.34Å; I414-K416 PolarHBondContact O-N 3.4Å; K416-L419 PolarHBondContact O-N 3.44Å; K416-W420 PolarHBondContact O-N 3.38Å
417	W	94.6	Very high	92.8	Very high	0 Å²	0	72 Å²	72	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-43.5	175.4	166.1	-109.4	0	0	0	112.5	M380 E384 Y387 K397 I400 T401 L404 F413 I414 D415 L419 W420	M380-W417 HydrophobicContact CE-CB 4.2Å; M380-W417 HydrophobicContact SD-CB 4.05Å; M380-W417 HydrophobicContact SD-CE3 3.89Å; E384-W417 HydrophobicContact CG-CZ3 4.23Å; Y387-W417 HydrophobicContact CG-CH2 4.41Å; K397-W417 HydrophobicContact CD-CH2 4.16Å; K397-W417 HydrophobicContact CD-CZ2 3.47Å; K397-W417 VanDerWaalsContact CD-CZ2 3.47Å; K397-W417 VanDerWaalsContact CE-CE2 3.4Å; K397-W417 WeakPolarHBondContact CE-O 3.26Å; K397-W417 HydrophobicContact CG-CZ2 4.41Å; K397-W417 PolarHBondContact NZ-O 3.46Å; I400-W417 HydrophobicContact CB-CH2 4.43Å; I400-W417 HydrophobicContact CB-CZ2 3.67Å; I400-W417 HydrophobicContact CD1-CH2 3.88Å; I400-W417 HydrophobicContact CD1-CZ2 3.85Å; I400-W417 HydrophobicContact CG1-CZ2 4.37Å; I400-W417 HydrophobicContact CG2-CD2 4.35Å; I400-W417 HydrophobicContact CG2-CH2 3.88Å; I400-W417 HydrophobicContact CG2-CZ2 3.32Å; T401-W417 PolarHBondContact OG1-NE1 2.87Å; L404-W417 HydrophobicContact CD1-CB 3.78Å; L404-W417 HydrophobicContact CD1-CD2 4.23Å; L404-W417 HydrophobicContact CD1-CG 3.6Å; F413-W417 PolarHBondContact O-N 3.46Å; I414-W417 WeakPolarHBondContact O-CB 3.47Å; I414-W417 PolarHBondContact O-N 3.14Å; I414-W417 VanDerWaalsContact O-N 3.15Å; D415-W417 VanDerWaalsContact C-N 3.32Å; D415-W417 PolarHBondContact O-N 3.12Å; W417-L419 VanDerWaalsContact C-N 3.34Å; W417-W420 HydrophobicContact CZ3-CE3 4.36Å; W417-W420 WeakPolarHBondContact O-CB 3.18Å; W417-W420 PolarHBondContact O-N 3.42Å
418	L	95	Very high	92.8	Very high	93 Å²	93	73.8 Å²	73.8	49%	0.487	38%	0.375	S	S	.	.	H	α-helix	trans	-67.4	-35.4	-179.9	-71.2	172.9	0	0	0	112.2	T401 I414 D415	T401-L418 HydrophobicContact CG2-CD2 4.09Å; I414-L418 HydrophobicContact CG2-CD1 4.01Å; I414-L418 HydrophobicContact CG2-CG 4.35Å; I414-L418 WeakPolarHBondContact O-CG 3.21Å; I414-L418 PolarHBondContact O-N 3.04Å; D415-L418 PolarHBondContact O-N 3.31Å
419	L	96	Very high	92.9	Very high	142 Å²	142	74.1 Å²	74.1	74%	0.743	38%	0.379	S	S	*	.	H	α-helix	trans	-78.9	-19.1	177.5	-69.2	170.9	0	0	0	113.7	D415 K416 W417 Q421	D415-L419 WeakPolarHBondContact O-CB 3.08Å; D415-L419 VanDerWaalsContact O-CG 3.28Å; D415-L419 WeakPolarHBondContact O-CG 3.19Å; D415-L419 PolarHBondContact O-N 2.9Å; K416-L419 PolarHBondContact O-N 3.44Å; W417-L419 VanDerWaalsContact C-N 3.34Å; L419-Q421 PolarHBondContact O-N 2.99Å
420	W	94.2	Very high	93	Very high	50 Å²	50	77 Å²	77	19%	0.189	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-60.4	124	178.9	176.8	89.9	0	0	0	111.4	E384 Y387 L388 K416 W417 P423	E384-W420 HydrophobicContact CB-CH2 4.18Å; E384-W420 HydrophobicContact CB-CZ2 3.8Å; E384-W420 VanDerWaalsContact CD-NE1 3.29Å; E384-W420 HydrophobicContact CG-CD2 4.13Å; E384-W420 HydrophobicContact CG-CH2 4.25Å; E384-W420 HydrophobicContact CG-CZ2 3.65Å; E384-W420 PolarHBondContact OE1-NE1 2.93Å; E384-W420 VanDerWaalsContact OE1-NE1 3.15Å; Y387-W420 AromaticContact CD1-CH2 3.84Å; Y387-W420 HydrophobicContact CD1-CH2 3.84Å; Y387-W420 AromaticContact CD1-CZ3 3.57Å; Y387-W420 HydrophobicContact CD1-CZ3 3.57Å; Y387-W420 HydrophobicContact CE1-CH2 4.34Å; Y387-W420 AromaticContact CE1-CZ3 3.89Å; Y387-W420 HydrophobicContact CE1-CZ3 3.89Å; Y387-W420 HydrophobicContact CG-CZ3 4.13Å; L388-W420 HydrophobicContact CD1-CH2 4.28Å; L388-W420 HydrophobicContact CD1-CZ2 4.39Å; L388-W420 HydrophobicContact CD2-CH2 4.1Å; L388-W420 HydrophobicContact CG-CH2 4.03Å; K416-W420 PolarHBondContact O-N 3.38Å; W417-W420 HydrophobicContact CZ3-CE3 4.36Å; W417-W420 WeakPolarHBondContact O-CB 3.18Å; W417-W420 PolarHBondContact O-N 3.42Å; W420-P423 VanDerWaalsContact CZ2-CD 3.43Å; W420-P423 HydrophobicContact CZ2-CG 4.46Å
421	Q	92.3	Very high	93.3	Very high	177 Å²	177	74.6 Å²	74.6	83%	0.827	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-96.6	126.5	175.6	-65.2	-166.2	-14.7	0	0	110.2	L419	L419-Q421 PolarHBondContact O-N 2.99Å
422	S	92.2	Very high	93.4	Very high	55 Å²	55	67.9 Å²	67.9	39%	0.385	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-68.5	130.6	-176.3	75.4	0	0	0	0	111.4	Y387	Y387-S422 VanDerWaalsContact CE1-CB 3.46Å
423	P	92.9	Very high	93.5	Very high	41 Å²	41	64.1 Å²	64.1	27%	0.266	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-60.4	149.1	171.2	23.6	-30.3	0	0	0	110.6	L388 W420 F425 W454 Y459	L388-P423 HydrophobicContact CD1-CG 4.17Å; L388-P423 HydrophobicContact CD2-CG 4.42Å; W420-P423 VanDerWaalsContact CZ2-CD 3.43Å; W420-P423 HydrophobicContact CZ2-CG 4.46Å; P423-F425 PolarHBondContact O-N 3.02Å; P423-W454 HydrophobicContact CB-CH2 3.73Å; P423-W454 HydrophobicContact CB-CZ2 4Å; P423-W454 HydrophobicContact CG-CH2 3.67Å; P423-W454 HydrophobicContact CG-CZ2 4.29Å; P423-W454 HydrophobicContact CG-CZ3 4.44Å; P423-Y459 HydrophobicContact CB-CG 4.5Å; P423-Y459 HydrophobicContact CG-CD1 4.12Å; P423-Y459 HydrophobicContact CG-CD2 3.98Å; P423-Y459 HydrophobicContact CG-CE2 4.37Å; P423-Y459 HydrophobicContact CG-CG 3.82Å
424	K	92.5	Very high	93.6	Very high	195 Å²	195	68.7 Å²	68.7	85%	0.848	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-82.1	116.5	-179.3	-171.4	178.8	179.3	-177	0	109.7
425	F	94.6	Very high	93.6	Very high	21 Å²	21	72.3 Å²	72.3	9%	0.092	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-61.3	126.2	173.8	-178.3	-121.9	0	0	0	110.3	P423 V427 L447 L450 R451 W454 L466	P423-F425 PolarHBondContact O-N 3.02Å; F425-V427 VanDerWaalsContact C-N 3.35Å; F425-V427 HydrophobicContact CD1-CB 4.34Å; F425-V427 WeakPolarHBondContact CD1-O 3.2Å; F425-V427 HydrophobicContact CE1-CB 3.62Å; F425-V427 HydrophobicContact CE1-CG1 4.44Å; F425-V427 WeakPolarHBondContact CE1-O 3.39Å; F425-V427 HydrophobicContact CZ-CB 3.74Å; F425-V427 HydrophobicContact CZ-CG2 4.22Å; F425-V427 PolarHBondContact O-N 2.94Å; F425-L447 HydrophobicContact CE1-CD2 4.18Å; F425-L450 HydrophobicContact CZ-CB 3.87Å; F425-R451 HydrophobicContact CD1-CG 3.81Å; F425-R451 HydrophobicContact CD2-CG 3.78Å; F425-R451 HydrophobicContact CE1-CG 3.6Å; F425-R451 HydrophobicContact CE2-CB 4.24Å; F425-R451 HydrophobicContact CE2-CG 3.62Å; F425-R451 HydrophobicContact CG-CG 3.89Å; F425-R451 HydrophobicContact CZ-CB 4.36Å; F425-R451 HydrophobicContact CZ-CG 3.51Å; F425-W454 HydrophobicContact CB-CE3 4.47Å; F425-W454 HydrophobicContact CB-CH2 4.3Å; F425-W454 HydrophobicContact CB-CZ3 4.15Å; F425-W454 HydrophobicContact CD2-CB 4.14Å; F425-W454 AromaticContact CD2-CD2 3.65Å; F425-W454 HydrophobicContact CD2-CD2 3.65Å; F425-W454 AromaticContact CD2-CE3 3.59Å; F425-W454 HydrophobicContact CD2-CE3 3.59Å; F425-W454 AromaticContact CD2-CG 3.91Å; F425-W454 HydrophobicContact CD2-CG 3.91Å; F425-W454 HydrophobicContact CD2-CZ3 4.13Å; F425-W454 HydrophobicContact CE2-CB 3.8Å; F425-W454 HydrophobicContact CE2-CD2 4.24Å; F425-W454 HydrophobicContact CE2-CE3 4.36Å; F425-W454 HydrophobicContact CE2-CG 4.03Å; F425-W454 HydrophobicContact CG-CE3 4.47Å; F425-L466 HydrophobicContact CE2-CD1 4.08Å
426	P	95.3	Very high	93.6	Very high	47 Å²	47	69.8 Å²	69.8	31%	0.305	37%	0.365	S	S	.	.	S	Bend	trans	-78.6	-14.1	-168.6	30.4	-37	0	0	0	114.3	A463 L466	P426-A463 HydrophobicContact CB-CB 4.19Å; P426-L466 HydrophobicContact CG-CD1 3.91Å
427	V	94.3	Very high	93.5	Very high	5 Å²	5	68.2 Å²	68.2	3%	0.03	36%	0.363	C	S	.	.			trans	-100.4	124.2	-179.9	-179.8	0	0	0	0	111	F425 L432 L447 L450 A463 L466 L467	F425-V427 VanDerWaalsContact C-N 3.35Å; F425-V427 HydrophobicContact CD1-CB 4.34Å; F425-V427 WeakPolarHBondContact CD1-O 3.2Å; F425-V427 HydrophobicContact CE1-CB 3.62Å; F425-V427 HydrophobicContact CE1-CG1 4.44Å; F425-V427 WeakPolarHBondContact CE1-O 3.39Å; F425-V427 HydrophobicContact CZ-CB 3.74Å; F425-V427 HydrophobicContact CZ-CG2 4.22Å; F425-V427 PolarHBondContact O-N 2.94Å; V427-L432 HydrophobicContact CG1-CD1 4.38Å; V427-L447 HydrophobicContact CG1-CD2 4.14Å; V427-L450 HydrophobicContact CG1-CD1 4.19Å; V427-A463 HydrophobicContact CG2-CB 4.32Å; V427-L466 HydrophobicContact CG2-CB 4.1Å; V427-L466 HydrophobicContact CG2-CD1 3.91Å; V427-L467 HydrophobicContact CG1-CD1 4.2Å; V427-L467 HydrophobicContact CG1-CD2 4.08Å; V427-L467 HydrophobicContact CG1-CG 4.45Å; V427-L467 HydrophobicContact CG2-CD1 4.2Å; V427-L467 HydrophobicContact CG2-CD2 4.31Å; V427-L467 HydrophobicContact CG2-CG 4.06Å
428	S	91.8	Very high	93.3	Very high	55 Å²	55	68.7 Å²	68.7	39%	0.385	37%	0.365	S	S	.	.			trans	-102	162.1	173.6	65.9	0	0	0	0	111.5	T430 L431 L432	S428-T430 VanDerWaalsContact C-N 3.25Å; S428-T430 PolarHBondContact O-N 3.14Å; S428-T430 PolarHBondContact OG-OG1 3.01Å; S428-L431 PolarHBondContact O-N 3.35Å; S428-L431 WeakPolarHBondContact OG-CB 3.26Å; S428-L431 PolarHBondContact OG-N 3.21Å; S428-L432 PolarHBondContact O-N 2.63Å; S428-L432 VanDerWaalsContact O-N 3.07Å
429	G	91.2	Very high	92.9	Very high	27 Å²	27	71.2 Å²	71.2	28%	0.278	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-33.1	176.6	0	0	0	0	0	113.1	L432 I433	G429-L432 PolarHBondContact O-N 3.29Å; G429-I433 VanDerWaalsContact O-CG1 3.32Å; G429-I433 WeakPolarHBondContact O-CG1 3.18Å; G429-I433 PolarHBondContact O-N 3.49Å; G429-I433 VanDerWaalsContact O-N 3.12Å
430	T	93.3	Very high	92.5	Very high	92 Å²	92	71.3 Å²	71.3	56%	0.564	37%	0.37	S	S	*	.	H	α-helix	trans	-66.3	-45.1	174.3	48.9	0	0	0	0	111.1	S428 L432 I433 D434	S428-T430 VanDerWaalsContact C-N 3.25Å; S428-T430 PolarHBondContact O-N 3.14Å; S428-T430 PolarHBondContact OG-OG1 3.01Å; T430-L432 VanDerWaalsContact C-N 3.25Å; T430-L432 PolarHBondContact O-N 3.3Å; T430-I433 PolarHBondContact O-N 3.46Å; T430-I433 VanDerWaalsContact O-N 3.11Å; T430-D434 VanDerWaalsContact O-CG 3.25Å; T430-D434 PolarHBondContact O-N 2.93Å
431	L	93.2	Very high	92.1	Very high	47 Å²	47	78.3 Å²	78.3	25%	0.246	40%	0.402	C	S	.	.	H	α-helix	trans	-60	-38.4	177.6	-160.5	76.5	0	0	0	111.8	S428 D434 Q435 A463 L467	S428-L431 PolarHBondContact O-N 3.35Å; S428-L431 WeakPolarHBondContact OG-CB 3.26Å; S428-L431 PolarHBondContact OG-N 3.21Å; L431-D434 PolarHBondContact O-N 3.46Å; L431-Q435 WeakPolarHBondContact O-CB 3.49Å; L431-Q435 PolarHBondContact O-N 3.39Å; L431-A463 HydrophobicContact CD2-CB 3.75Å; L431-L467 HydrophobicContact CD2-CD1 3.38Å; L431-L467 HydrophobicContact CG-CD1 3.69Å
432	L	93.3	Very high	92	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-69.2	-34.8	177.8	-160	73.8	0	0	0	112.7	V427 S428 G429 T430 W436 D437 I438 M443 V446 L447 L450 L467	V427-L432 HydrophobicContact CG1-CD1 4.38Å; S428-L432 PolarHBondContact O-N 2.63Å; S428-L432 VanDerWaalsContact O-N 3.07Å; G429-L432 PolarHBondContact O-N 3.29Å; T430-L432 VanDerWaalsContact C-N 3.25Å; T430-L432 PolarHBondContact O-N 3.3Å; L432-W436 HydrophobicContact CD1-CD2 3.99Å; L432-W436 HydrophobicContact CD1-CE3 3.45Å; L432-W436 VanDerWaalsContact CD1-CE3 3.45Å; L432-W436 HydrophobicContact CD1-CZ3 3.96Å; L432-W436 HydrophobicContact CG-CE3 4.42Å; L432-W436 WeakPolarHBondContact O-CB 3.45Å; L432-W436 PolarHBondContact O-N 2.92Å; L432-D437 PolarHBondContact O-N 2.84Å; L432-I438 HydrophobicContact CD2-CB 3.98Å; L432-I438 HydrophobicContact CD2-CG1 4.48Å; L432-I438 HydrophobicContact CD2-CG2 3.95Å; L432-I438 HydrophobicContact CG-CB 4.08Å; L432-I438 HydrophobicContact CG-CG1 4.38Å; L432-M443 HydrophobicContact CB-CE 4.46Å; L432-M443 HydrophobicContact CB-SD 4.42Å; L432-M443 HydrophobicContact CD2-CE 4.26Å; L432-M443 HydrophobicContact CD2-SD 3.68Å; L432-V446 HydrophobicContact CD1-CG1 4.05Å; L432-V446 HydrophobicContact CD2-CB 4.1Å; L432-V446 HydrophobicContact CD2-CG1 3.73Å; L432-V446 HydrophobicContact CG-CG1 4.44Å; L432-L447 HydrophobicContact CD2-CD2 4.24Å; L432-L447 HydrophobicContact CD2-CG 4.16Å; L432-L450 HydrophobicContact CD1-CD1 3.62Å; L432-L467 HydrophobicContact CD1-CD2 3.62Å
433	I	93.7	Very high	92	Very high	60 Å²	60	72.4 Å²	72.4	31%	0.308	37%	0.37	S	S	.	.	H	α-helix	trans	-66.7	-48.3	172.8	-68.3	163.3	0	0	0	109.6	G429 T430 Q435 D437 I438 M443	G429-I433 VanDerWaalsContact O-CG1 3.32Å; G429-I433 WeakPolarHBondContact O-CG1 3.18Å; G429-I433 PolarHBondContact O-N 3.49Å; G429-I433 VanDerWaalsContact O-N 3.12Å; T430-I433 PolarHBondContact O-N 3.46Å; T430-I433 VanDerWaalsContact O-N 3.11Å; I433-Q435 PolarHBondContact O-N 2.87Å; I433-D437 WeakPolarHBondContact O-CA 3.38Å; I433-D437 PolarHBondContact O-N 3.07Å; I433-I438 WeakPolarHBondContact CG1-O 3.5Å; I433-M443 HydrophobicContact CD1-CE 4.06Å; I433-M443 HydrophobicContact CG1-CE 3.69Å
434	D	93.4	Very high	91.8	Very high	129 Å²	129	77.1 Å²	77.1	69%	0.69	38%	0.383	S	S	*	.	H	α-helix	trans	-66.4	-40.3	-173.5	-64.8	-22.7	0	0	0	112.4	T430 L431	T430-D434 VanDerWaalsContact O-CG 3.25Å; T430-D434 PolarHBondContact O-N 2.93Å; L431-D434 PolarHBondContact O-N 3.46Å
435	Q	93.3	Very high	91.8	Very high	83 Å²	83	69 Å²	69	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-89	-38.3	-176.8	-64.6	-164.3	5.2	0	0	113.5	L431 I433 L467	L431-Q435 WeakPolarHBondContact O-CB 3.49Å; L431-Q435 PolarHBondContact O-N 3.39Å; I433-Q435 PolarHBondContact O-N 2.87Å; Q435-L467 HydrophobicContact CG-CD1 4.46Å; Q435-L467 VanDerWaalsContact OE1-CD1 3.26Å
436	W	94.2	Very high	91.8	Very high	12 Å²	12	68 Å²	68	5%	0.045	35%	0.346	C	S	.	.	H	α-helix	trans	-117.6	-3.7	-170.2	-66.9	-1	0	0	0	114.4	L432 I438 V446 L450 L467 T468 K472 I475	L432-W436 HydrophobicContact CD1-CD2 3.99Å; L432-W436 HydrophobicContact CD1-CE3 3.45Å; L432-W436 VanDerWaalsContact CD1-CE3 3.45Å; L432-W436 HydrophobicContact CD1-CZ3 3.96Å; L432-W436 HydrophobicContact CG-CE3 4.42Å; L432-W436 WeakPolarHBondContact O-CB 3.45Å; L432-W436 PolarHBondContact O-N 2.92Å; W436-I438 HydrophobicContact CB-CG1 3.87Å; W436-I438 HydrophobicContact CE3-CG1 4.46Å; W436-I438 PolarHBondContact O-N 3.15Å; W436-V446 HydrophobicContact CE3-CG1 4.12Å; W436-V446 HydrophobicContact CZ3-CG1 3.85Å; W436-L450 HydrophobicContact CH2-CD1 4.39Å; W436-L450 HydrophobicContact CH2-CD2 3.86Å; W436-L450 HydrophobicContact CZ3-CD1 4.06Å; W436-L450 HydrophobicContact CZ3-CD2 4.22Å; W436-L450 HydrophobicContact CZ3-CG 4.46Å; W436-L467 HydrophobicContact CD2-CD2 4.02Å; W436-L467 HydrophobicContact CE3-CD2 4.27Å; W436-L467 HydrophobicContact CH2-CD2 4.03Å; W436-L467 HydrophobicContact CZ2-CB 4.16Å; W436-L467 HydrophobicContact CZ2-CD2 3.76Å; W436-L467 HydrophobicContact CZ3-CD2 4.26Å; W436-L467 PolarHBondContact NE1-O 3.1Å; W436-T468 WeakPolarHBondContact CZ2-O 3.28Å; W436-K472 HydrophobicContact CB-CD 4.03Å; W436-K472 HydrophobicContact CB-CG 4.47Å; W436-K472 HydrophobicContact CD2-CB 3.83Å; W436-K472 HydrophobicContact CD2-CD 3.9Å; W436-K472 HydrophobicContact CD2-CG 3.67Å; W436-K472 HydrophobicContact CE3-CB 4.06Å; W436-K472 HydrophobicContact CE3-CD 4.49Å; W436-K472 HydrophobicContact CE3-CG 3.81Å; W436-K472 HydrophobicContact CG-CB 4.44Å; W436-K472 HydrophobicContact CG-CD 3.68Å; W436-K472 HydrophobicContact CG-CG 3.99Å; W436-K472 VanDerWaalsContact CH2-CA 3.49Å; W436-K472 HydrophobicContact CH2-CB 3.82Å; W436-K472 HydrophobicContact CH2-CG 4.46Å; W436-K472 HydrophobicContact CZ2-CB 3.55Å; W436-K472 HydrophobicContact CZ2-CG 4.33Å; W436-K472 HydrophobicContact CZ3-CB 4.07Å; W436-K472 HydrophobicContact CZ3-CG 4.22Å; W436-I475 HydrophobicContact CH2-CD1 4.36Å; W436-I475 HydrophobicContact CZ3-CD1 4.43Å
437	D	92.2	Very high	91.7	Very high	101 Å²	101	66.5 Å²	66.5	54%	0.54	34%	0.335	S	S	.	.			trans	51.6	31.4	-174.1	-161.1	35	0	0	0	113.9	L432 I433 R439	L432-D437 PolarHBondContact O-N 2.84Å; I433-D437 WeakPolarHBondContact O-CA 3.38Å; I433-D437 PolarHBondContact O-N 3.07Å; D437-R439 IonicContact OD1-CZ 3.73Å; D437-R439 VanDerWaalsContact OD1-CZ 3.28Å; D437-R439 IonicContact OD1-NE 2.84Å; D437-R439 PolarHBondContact OD1-NE 2.86Å; D437-R439 IonicContact OD1-NH2 3.28Å; D437-R439 PolarHBondContact OD1-NH2 2.84Å
438	I	89.6	Confident	91.6	Very high	11 Å²	11	68.4 Å²	68.4	6%	0.056	34%	0.343	C	S	.	.			trans	-78.9	122.9	175.8	-62.1	-60.5	0	0	0	109.7	L432 I433 W436 L442 M443 V446 L476	L432-I438 HydrophobicContact CD2-CB 3.98Å; L432-I438 HydrophobicContact CD2-CG1 4.48Å; L432-I438 HydrophobicContact CD2-CG2 3.95Å; L432-I438 HydrophobicContact CG-CB 4.08Å; L432-I438 HydrophobicContact CG-CG1 4.38Å; I433-I438 WeakPolarHBondContact CG1-O 3.5Å; W436-I438 HydrophobicContact CB-CG1 3.87Å; W436-I438 HydrophobicContact CE3-CG1 4.46Å; W436-I438 PolarHBondContact O-N 3.15Å; I438-L442 HydrophobicContact CG2-CB 3.74Å; I438-M443 WeakPolarHBondContact O-CE 3.36Å; I438-V446 HydrophobicContact CG2-CB 4.42Å; I438-V446 HydrophobicContact CG2-CG2 4.19Å; I438-L476 HydrophobicContact CD1-CD1 4.49Å; I438-L476 HydrophobicContact CD1-CD2 4.05Å
439	R	88.5	Confident	91.8	Very high	145 Å²	145	67.5 Å²	67.5	55%	0.547	33%	0.332	S	S	.	.			trans	-128.1	166.5	-179.1	-58.1	-176.1	-169.6	-148.2	-0.3	112.8	D437 K441 L442	D437-R439 IonicContact OD1-CZ 3.73Å; D437-R439 VanDerWaalsContact OD1-CZ 3.28Å; D437-R439 IonicContact OD1-NE 2.84Å; D437-R439 PolarHBondContact OD1-NE 2.86Å; D437-R439 IonicContact OD1-NH2 3.28Å; D437-R439 PolarHBondContact OD1-NH2 2.84Å; R439-K441 PolarHBondContact O-N 3.42Å; R439-L442 PolarHBondContact O-N 3.48Å
440	D	86.1	Confident	92	Very high	145 Å²	145	66.2 Å²	66.2	78%	0.775	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	50.9	-117.4	168.5	-56.3	-43.2	0	0	0	114.7	L442 M443	D440-L442 VanDerWaalsContact C-N 3.29Å; D440-L442 PolarHBondContact O-N 2.93Å; D440-M443 VanDerWaalsContact O-CB 3.3Å; D440-M443 WeakPolarHBondContact O-CB 3.32Å; D440-M443 PolarHBondContact O-N 3.38Å
441	K	87.3	Confident	92	Very high	197 Å²	197	64.6 Å²	64.6	86%	0.857	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-67.6	-27.1	-170.2	-66.6	-178.4	-178.8	174.8	0	113.1	R439 P445	R439-K441 PolarHBondContact O-N 3.42Å; K441-P445 VanDerWaalsContact O-CD 3.23Å; K441-P445 WeakPolarHBondContact O-CD 3.34Å
442	L	90.2	Very high	92.1	Very high	76 Å²	76	64.2 Å²	64.2	40%	0.398	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-80.8	-19.3	179.6	-72.6	173.4	0	0	0	112.8	I438 R439 D440 R444 P445 V446	I438-L442 HydrophobicContact CG2-CB 3.74Å; R439-L442 PolarHBondContact O-N 3.48Å; D440-L442 VanDerWaalsContact C-N 3.29Å; D440-L442 PolarHBondContact O-N 2.93Å; L442-R444 PolarHBondContact O-N 3.48Å; L442-P445 WeakPolarHBondContact O-CD 3.46Å; L442-V446 HydrophobicContact CB-CG2 4.48Å; L442-V446 WeakPolarHBondContact O-CB 3.35Å; L442-V446 VanDerWaalsContact O-CG2 3.24Å; L442-V446 WeakPolarHBondContact O-CG2 3.43Å; L442-V446 PolarHBondContact O-N 3.41Å
443	M	90.7	Very high	92.1	Very high	31 Å²	31	66.2 Å²	66.2	15%	0.153	31%	0.308	C	S	.	.	H	α-helix	trans	-55	-51.9	-176.1	-179.3	57.5	66.6	0	0	112.8	L432 I433 I438 D440 L447	L432-M443 HydrophobicContact CB-CE 4.46Å; L432-M443 HydrophobicContact CB-SD 4.42Å; L432-M443 HydrophobicContact CD2-CE 4.26Å; L432-M443 HydrophobicContact CD2-SD 3.68Å; I433-M443 HydrophobicContact CD1-CE 4.06Å; I433-M443 HydrophobicContact CG1-CE 3.69Å; I438-M443 WeakPolarHBondContact O-CE 3.36Å; D440-M443 VanDerWaalsContact O-CB 3.3Å; D440-M443 WeakPolarHBondContact O-CB 3.32Å; D440-M443 PolarHBondContact O-N 3.38Å; M443-L447 HydrophobicContact CG-CD1 4.01Å; M443-L447 WeakPolarHBondContact O-CB 3.46Å; M443-L447 VanDerWaalsContact O-CG 3.28Å; M443-L447 WeakPolarHBondContact O-CG 3.17Å; M443-L447 PolarHBondContact O-N 3.06Å; M443-L447 HydrophobicContact SD-CD1 3.66Å; M443-L447 HydrophobicContact SD-CG 4Å
444	R	90.1	Very high	92.2	Very high	140 Å²	140	63.6 Å²	63.6	53%	0.528	30%	0.295	S	S	.	.	H	α-helix	trans	-67.5	-50.4	-177.5	-75.3	-176	178.5	-143.9	-1	112.8	F391 L442 V446 L447 F448	F391-R444 HydrophobicContact CE1-CB 4.45Å; F391-R444 HydrophobicContact CE1-CG 4.17Å; F391-R444 HydrophobicContact CZ-CB 4.15Å; F391-R444 HydrophobicContact CZ-CG 4.35Å; F391-R444 WeakPolarHBondContact CZ-O 3.31Å; L442-R444 PolarHBondContact O-N 3.48Å; R444-V446 VanDerWaalsContact C-N 3.34Å; R444-V446 PolarHBondContact O-N 3.29Å; R444-L447 PolarHBondContact O-N 2.83Å; R444-F448 WeakPolarHBondContact O-CB 3.31Å; R444-F448 PolarHBondContact O-N 2.7Å
445	P	92.4	Very high	92.2	Very high	24 Å²	24	57.6 Å²	57.6	16%	0.156	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-42.4	177.4	-26.2	34.3	0	0	0	113.6	K441 L442 F448 K449 L479	K441-P445 VanDerWaalsContact O-CD 3.23Å; K441-P445 WeakPolarHBondContact O-CD 3.34Å; L442-P445 WeakPolarHBondContact O-CD 3.46Å; P445-F448 WeakPolarHBondContact O-CB 3.47Å; P445-F448 PolarHBondContact O-N 3.15Å; P445-K449 PolarHBondContact O-N 2.83Å; P445-L479 HydrophobicContact CB-CD1 3.92Å; P445-L479 HydrophobicContact CB-CD2 3.69Å; P445-L479 HydrophobicContact CB-CG 4.49Å
446	V	93.9	Very high	92	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-67.1	-46.7	179.1	176	0	0	0	0	110.9	L432 W436 I438 L442 R444 F448 K449 L450 I475 L476 L479	L432-V446 HydrophobicContact CD1-CG1 4.05Å; L432-V446 HydrophobicContact CD2-CB 4.1Å; L432-V446 HydrophobicContact CD2-CG1 3.73Å; L432-V446 HydrophobicContact CG-CG1 4.44Å; W436-V446 HydrophobicContact CE3-CG1 4.12Å; W436-V446 HydrophobicContact CZ3-CG1 3.85Å; I438-V446 HydrophobicContact CG2-CB 4.42Å; I438-V446 HydrophobicContact CG2-CG2 4.19Å; L442-V446 HydrophobicContact CB-CG2 4.48Å; L442-V446 WeakPolarHBondContact O-CB 3.35Å; L442-V446 VanDerWaalsContact O-CG2 3.24Å; L442-V446 WeakPolarHBondContact O-CG2 3.43Å; L442-V446 PolarHBondContact O-N 3.41Å; R444-V446 VanDerWaalsContact C-N 3.34Å; R444-V446 PolarHBondContact O-N 3.29Å; V446-F448 PolarHBondContact O-N 3.22Å; V446-K449 PolarHBondContact O-N 2.71Å; V446-L450 HydrophobicContact CG1-CD1 4.05Å; V446-L450 HydrophobicContact CG1-CG 4.44Å; V446-L450 WeakPolarHBondContact O-CG 3.42Å; V446-L450 PolarHBondContact O-N 2.92Å; V446-I475 HydrophobicContact CB-CG2 4.47Å; V446-I475 HydrophobicContact CG1-CG2 4.24Å; V446-I475 HydrophobicContact CG2-CG2 4.2Å; V446-L476 HydrophobicContact CG2-CD2 4.29Å; V446-L479 HydrophobicContact CG2-CD1 3.66Å
447	L	92.9	Very high	91.9	Very high	16 Å²	16	59.9 Å²	59.9	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-36.2	175.2	-77	175	0	0	0	112.3	F425 V427 L432 M443 R444 R451	F425-L447 HydrophobicContact CE1-CD2 4.18Å; V427-L447 HydrophobicContact CG1-CD2 4.14Å; L432-L447 HydrophobicContact CD2-CD2 4.24Å; L432-L447 HydrophobicContact CD2-CG 4.16Å; M443-L447 HydrophobicContact CG-CD1 4.01Å; M443-L447 WeakPolarHBondContact O-CB 3.46Å; M443-L447 VanDerWaalsContact O-CG 3.28Å; M443-L447 WeakPolarHBondContact O-CG 3.17Å; M443-L447 PolarHBondContact O-N 3.06Å; M443-L447 HydrophobicContact SD-CD1 3.66Å; M443-L447 HydrophobicContact SD-CG 4Å; R444-L447 PolarHBondContact O-N 2.83Å; L447-R451 WeakPolarHBondContact O-CB 3.38Å; L447-R451 VanDerWaalsContact O-CG 3.26Å; L447-R451 WeakPolarHBondContact O-CG 3.2Å; L447-R451 PolarHBondContact O-N 3.1Å
448	F	93.3	Very high	91.7	Very high	44 Å²	44	58.4 Å²	58.4	19%	0.193	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-50.4	176.2	-176.9	-90.2	0	0	0	111.1	L389 F391 R444 P445 V446 L450 R451 E452 P488	L389-F448 HydrophobicContact CB-CE2 3.86Å; L389-F448 HydrophobicContact CB-CZ 4.45Å; L389-F448 HydrophobicContact CD1-CZ 4.29Å; L389-F448 HydrophobicContact CD2-CE2 4.3Å; L389-F448 HydrophobicContact CG-CE2 4.45Å; F391-F448 HydrophobicContact CE2-CB 4.22Å; F391-F448 HydrophobicContact CE2-CD2 4.03Å; F391-F448 HydrophobicContact CZ-CB 4.2Å; R444-F448 WeakPolarHBondContact O-CB 3.31Å; R444-F448 PolarHBondContact O-N 2.7Å; P445-F448 WeakPolarHBondContact O-CB 3.47Å; P445-F448 PolarHBondContact O-N 3.15Å; V446-F448 PolarHBondContact O-N 3.22Å; F448-L450 VanDerWaalsContact C-N 3.34Å; F448-L450 PolarHBondContact O-N 2.9Å; F448-R451 WeakPolarHBondContact O-CB 3.48Å; F448-R451 PolarHBondContact O-N 2.81Å; F448-R451 VanDerWaalsContact O-N 3.08Å; F448-E452 HydrophobicContact CD1-CG 4.09Å; F448-E452 HydrophobicContact CE1-CG 3.76Å; F448-E452 WeakPolarHBondContact CE1-OE2 3.16Å; F448-E452 HydrophobicContact CZ-CG 4.3Å; F448-E452 PolarHBondContact O-N 3.47Å; F448-P488 HydrophobicContact CD2-CB 4.34Å; F448-P488 HydrophobicContact CE2-CB 4.45Å
449	K	94.5	Very high	91.8	Very high	37 Å²	37	60.2 Å²	60.2	16%	0.161	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-40.6	178.5	-73.5	-76.1	162.2	-153.8	0	112.8	P445 V446 R451 E452 Q453 I475	P445-K449 PolarHBondContact O-N 2.83Å; V446-K449 PolarHBondContact O-N 2.71Å; K449-R451 VanDerWaalsContact C-N 3.35Å; K449-E452 VanDerWaalsContact CD-OE2 3.29Å; K449-E452 WeakPolarHBondContact CD-OE2 3.21Å; K449-E452 VanDerWaalsContact CE-OE2 3.31Å; K449-E452 WeakPolarHBondContact CE-OE2 3.46Å; K449-E452 IonicContact NZ-OE2 2.79Å; K449-E452 PolarHBondContact NZ-OE2 3.41Å; K449-E452 WeakPolarHBondContact O-CB 3.29Å; K449-E452 PolarHBondContact O-N 3Å; K449-Q453 PolarHBondContact O-N 3.37Å; K449-Q453 VanDerWaalsContact O-N 3.16Å; K449-I475 HydrophobicContact CB-CD1 4.08Å; K449-I475 HydrophobicContact CB-CG1 4.13Å; K449-I475 HydrophobicContact CB-CG2 3.84Å; K449-I475 HydrophobicContact CG-CG2 4.19Å
450	L	95.4	Very high	92.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-38.9	173.9	-69.8	171.9	0	0	0	112.2	F425 V427 L432 W436 V446 F448 W454 L466 L467 I475	F425-L450 HydrophobicContact CZ-CB 3.87Å; V427-L450 HydrophobicContact CG1-CD1 4.19Å; L432-L450 HydrophobicContact CD1-CD1 3.62Å; W436-L450 HydrophobicContact CH2-CD1 4.39Å; W436-L450 HydrophobicContact CH2-CD2 3.86Å; W436-L450 HydrophobicContact CZ3-CD1 4.06Å; W436-L450 HydrophobicContact CZ3-CD2 4.22Å; W436-L450 HydrophobicContact CZ3-CG 4.46Å; V446-L450 HydrophobicContact CG1-CD1 4.05Å; V446-L450 HydrophobicContact CG1-CG 4.44Å; V446-L450 WeakPolarHBondContact O-CG 3.42Å; V446-L450 PolarHBondContact O-N 2.92Å; F448-L450 VanDerWaalsContact C-N 3.34Å; F448-L450 PolarHBondContact O-N 2.9Å; L450-W454 WeakPolarHBondContact O-CB 3.34Å; L450-W454 PolarHBondContact O-N 2.8Å; L450-L466 HydrophobicContact CD2-CB 4.27Å; L450-L466 HydrophobicContact CD2-CD2 4.46Å; L450-L467 HydrophobicContact CD1-CD2 3.98Å; L450-I475 HydrophobicContact CD2-CD1 3.45Å; L450-I475 VanDerWaalsContact CD2-CD1 3.45Å; L450-I475 HydrophobicContact CG-CD1 3.76Å
451	R	94.8	Very high	92.5	Very high	58 Å²	58	56.8 Å²	56.8	22%	0.219	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-37.6	173.9	-73.3	173.1	-163.7	-95.7	-5.7	112.1	L388 L389 F425 L447 F448 K449 W454 C455	L388-R451 WeakPolarHBondContact O-CD 3.48Å; L389-R451 HydrophobicContact CD2-CB 3.72Å; F425-R451 HydrophobicContact CD1-CG 3.81Å; F425-R451 HydrophobicContact CD2-CG 3.78Å; F425-R451 HydrophobicContact CE1-CG 3.6Å; F425-R451 HydrophobicContact CE2-CB 4.24Å; F425-R451 HydrophobicContact CE2-CG 3.62Å; F425-R451 HydrophobicContact CG-CG 3.89Å; F425-R451 HydrophobicContact CZ-CB 4.36Å; F425-R451 HydrophobicContact CZ-CG 3.51Å; L447-R451 WeakPolarHBondContact O-CB 3.38Å; L447-R451 VanDerWaalsContact O-CG 3.26Å; L447-R451 WeakPolarHBondContact O-CG 3.2Å; L447-R451 PolarHBondContact O-N 3.1Å; F448-R451 WeakPolarHBondContact O-CB 3.48Å; F448-R451 PolarHBondContact O-N 2.81Å; F448-R451 VanDerWaalsContact O-N 3.08Å; K449-R451 VanDerWaalsContact C-N 3.35Å; R451-W454 PolarHBondContact O-N 2.74Å; R451-C455 WeakPolarHBondContact O-CB 2.89Å; R451-C455 PolarHBondContact O-N 3.3Å; R451-C455 PolarHBondContact O-SG 3.14Å
452	E	94	Very high	92.9	Very high	39 Å²	39	49.7 Å²	49.7	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-53.1	175.4	-74	-173.6	110.8	0	0	110.8	L389 F448 K449 W454 C455 E456	L389-E452 HydrophobicContact CD1-CG 4.09Å; L389-E452 HydrophobicContact CD2-CB 4.36Å; L389-E452 HydrophobicContact CD2-CG 3.65Å; F448-E452 HydrophobicContact CD1-CG 4.09Å; F448-E452 HydrophobicContact CE1-CG 3.76Å; F448-E452 WeakPolarHBondContact CE1-OE2 3.16Å; F448-E452 HydrophobicContact CZ-CG 4.3Å; F448-E452 PolarHBondContact O-N 3.47Å; K449-E452 VanDerWaalsContact CD-OE2 3.29Å; K449-E452 WeakPolarHBondContact CD-OE2 3.21Å; K449-E452 VanDerWaalsContact CE-OE2 3.31Å; K449-E452 WeakPolarHBondContact CE-OE2 3.46Å; K449-E452 IonicContact NZ-OE2 2.79Å; K449-E452 PolarHBondContact NZ-OE2 3.41Å; K449-E452 WeakPolarHBondContact O-CB 3.29Å; K449-E452 PolarHBondContact O-N 3Å; E452-W454 VanDerWaalsContact C-N 3.31Å; E452-W454 PolarHBondContact O-N 3.41Å; E452-C455 PolarHBondContact O-N 3Å; E452-C455 VanDerWaalsContact O-N 3.16Å; E452-E456 WeakPolarHBondContact O-CG 3.4Å; E452-E456 PolarHBondContact O-N 3.32Å
453	Q	94.9	Very high	93.2	Very high	41 Å²	41	47 Å²	47	19%	0.192	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-41.8	177.4	-68.7	176.5	-21.1	0	0	112.1	K449 E456 S457 L466 N471	K449-Q453 PolarHBondContact O-N 3.37Å; K449-Q453 VanDerWaalsContact O-N 3.16Å; Q453-E456 PolarHBondContact O-N 3.47Å; Q453-S457 PolarHBondContact O-N 2.9Å; Q453-L466 HydrophobicContact CB-CD2 4.19Å; Q453-N471 PolarHBondContact NE2-OD1 3.16Å; Q453-N471 PolarHBondContact OE1-ND2 3.16Å; Q453-N471 PolarHBondContact OE1-OD1 3.26Å
454	W	95.2	Very high	93.3	Very high	6 Å²	6	51.2 Å²	51.2	2%	0.023	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-41.9	176.7	-179.7	69.8	0	0	0	112.5	L388 P423 F425 L450 R451 E452 E456 S457 Y459 L461 L466	L388-W454 HydrophobicContact CD1-CZ3 3.95Å; L388-W454 HydrophobicContact CD2-CH2 4.5Å; L388-W454 HydrophobicContact CD2-CZ3 4.06Å; L388-W454 HydrophobicContact CG-CZ3 4.43Å; P423-W454 HydrophobicContact CB-CH2 3.73Å; P423-W454 HydrophobicContact CB-CZ2 4Å; P423-W454 HydrophobicContact CG-CH2 3.67Å; P423-W454 HydrophobicContact CG-CZ2 4.29Å; P423-W454 HydrophobicContact CG-CZ3 4.44Å; F425-W454 HydrophobicContact CB-CE3 4.47Å; F425-W454 HydrophobicContact CB-CH2 4.3Å; F425-W454 HydrophobicContact CB-CZ3 4.15Å; F425-W454 HydrophobicContact CD2-CB 4.14Å; F425-W454 AromaticContact CD2-CD2 3.65Å; F425-W454 HydrophobicContact CD2-CD2 3.65Å; F425-W454 AromaticContact CD2-CE3 3.59Å; F425-W454 HydrophobicContact CD2-CE3 3.59Å; F425-W454 AromaticContact CD2-CG 3.91Å; F425-W454 HydrophobicContact CD2-CG 3.91Å; F425-W454 HydrophobicContact CD2-CZ3 4.13Å; F425-W454 HydrophobicContact CE2-CB 3.8Å; F425-W454 HydrophobicContact CE2-CD2 4.24Å; F425-W454 HydrophobicContact CE2-CE3 4.36Å; F425-W454 HydrophobicContact CE2-CG 4.03Å; F425-W454 HydrophobicContact CG-CE3 4.47Å; L450-W454 WeakPolarHBondContact O-CB 3.34Å; L450-W454 PolarHBondContact O-N 2.8Å; R451-W454 PolarHBondContact O-N 2.74Å; E452-W454 VanDerWaalsContact C-N 3.31Å; E452-W454 PolarHBondContact O-N 3.41Å; W454-E456 VanDerWaalsContact C-N 3.33Å; W454-E456 PolarHBondContact O-N 2.65Å; W454-S457 PolarHBondContact O-N 2.84Å; W454-S457 PolarHBondContact O-OG 2.86Å; W454-Y459 HydrophobicContact CD2-CD1 4.36Å; W454-Y459 HydrophobicContact CE3-CD1 4.1Å; W454-Y459 HydrophobicContact CH2-CD1 4.17Å; W454-Y459 HydrophobicContact CH2-CG 4.48Å; W454-Y459 HydrophobicContact CZ2-CD1 4.39Å; W454-Y459 HydrophobicContact CZ2-CG 4.4Å; W454-Y459 HydrophobicContact CZ3-CD1 4.01Å; W454-Y459 VanDerWaalsContact NE1-C 3.34Å; W454-Y459 PolarHBondContact NE1-O 3.32Å; W454-Y459 VanDerWaalsContact NE1-O 3.11Å; W454-Y459 WeakPolarHBondContact O-CA 3.4Å; W454-Y459 PolarHBondContact O-N 3.45Å; W454-L461 VanDerWaalsContact CD1-O 3.23Å; W454-L461 PolarHBondContact NE1-O 3.29Å; W454-L466 HydrophobicContact CB-CD1 4.11Å; W454-L466 HydrophobicContact CB-CD2 4.38Å; W454-L466 HydrophobicContact CG-CD1 4.38Å
455	C	92.3	Very high	93.6	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-35.6	175.2	-65.7	0	0	0	0	112.3	R381 K385 R451 E452 S457 D458 Y459	R381-C455 PolarHBondContact NH2-O 3.05Å; R381-C455 VanDerWaalsContact NH2-O 3.12Å; K385-C455 HydrophobicContact CD-CB 4.44Å; K385-C455 HydrophobicContact CG-CB 4.05Å; R451-C455 WeakPolarHBondContact O-CB 2.89Å; R451-C455 PolarHBondContact O-N 3.3Å; R451-C455 PolarHBondContact O-SG 3.14Å; E452-C455 PolarHBondContact O-N 3Å; E452-C455 VanDerWaalsContact O-N 3.16Å; C455-S457 VanDerWaalsContact C-N 3.28Å; C455-S457 PolarHBondContact O-N 3.17Å; C455-D458 PolarHBondContact O-N 3.29Å; C455-Y459 HydrophobicContact CB-CE1 4.27Å
456	E	90.6	Very high	93.8	Very high	115 Å²	115	48.6 Å²	48.6	54%	0.537	24%	0.239	S	C	.	.	H	α-helix	trans	-65.9	-32.5	175.4	-73.8	168.3	-175.3	0	0	111.9	R381 K385 E452 Q453 W454 D458	R381-E456 PolarHBondContact NH2-O 3.22Å; R381-E456 VanDerWaalsContact NH2-O 3.16Å; K385-E456 IonicContact NZ-OE1 3.77Å; E452-E456 WeakPolarHBondContact O-CG 3.4Å; E452-E456 PolarHBondContact O-N 3.32Å; Q453-E456 PolarHBondContact O-N 3.47Å; W454-E456 VanDerWaalsContact C-N 3.33Å; W454-E456 PolarHBondContact O-N 2.65Å; E456-D458 PolarHBondContact O-N 2.88Å; E456-D458 VanDerWaalsContact O-N 3.17Å
457	S	91.6	Very high	93.8	Very high	28 Å²	28	49 Å²	49	20%	0.196	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	9.2	176.5	78.6	0	0	0	0	115.9	Q453 W454 C455 Y459 K460 L461	Q453-S457 PolarHBondContact O-N 2.9Å; W454-S457 PolarHBondContact O-N 2.84Å; W454-S457 PolarHBondContact O-OG 2.86Å; C455-S457 VanDerWaalsContact C-N 3.28Å; C455-S457 PolarHBondContact O-N 3.17Å; S457-Y459 PolarHBondContact O-N 2.88Å; S457-K460 WeakPolarHBondContact O-CB 3.42Å; S457-K460 WeakPolarHBondContact O-CG 3.36Å; S457-K460 PolarHBondContact O-N 3.32Å; S457-K460 PolarHBondContact OG-N 3.33Å; S457-L461 VanDerWaalsContact CB-CG 3.48Å; S457-L461 WeakPolarHBondContact OG-CG 3.49Å; S457-L461 PolarHBondContact OG-N 2.65Å
458	D	88.5	Confident	94	Very high	71 Å²	71	50.8 Å²	50.8	38%	0.38	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	38.6	-169.1	-77.4	-56.1	0	0	0	112.2	R381 C455 E456 K460	R381-D458 VanDerWaalsContact CZ-CG 3.42Å; R381-D458 IonicContact CZ-OD1 2.77Å; R381-D458 IonicContact CZ-OD2 3.97Å; R381-D458 IonicContact NE-OD1 2.69Å; R381-D458 PolarHBondContact NE-OD1 3.25Å; R381-D458 VanDerWaalsContact NH1-CG 3.32Å; R381-D458 IonicContact NH1-OD1 3.83Å; R381-D458 PolarHBondContact NH1-OD1 2.91Å; R381-D458 IonicContact NH1-OD2 2.77Å; R381-D458 PolarHBondContact NH1-OD2 3.32Å; R381-D458 VanDerWaalsContact NH1-OD2 3.11Å; R381-D458 VanDerWaalsContact NH2-CG 3.31Å; R381-D458 IonicContact NH2-OD1 3.49Å; R381-D458 PolarHBondContact NH2-OD1 3.48Å; R381-D458 IonicContact NH2-OD2 3.88Å; R381-D458 PolarHBondContact NH2-OD2 3.22Å; C455-D458 PolarHBondContact O-N 3.29Å; E456-D458 PolarHBondContact O-N 2.88Å; E456-D458 VanDerWaalsContact O-N 3.17Å; D458-K460 PolarHBondContact O-N 2.82Å
459	Y	91.3	Very high	93.9	Very high	49 Å²	49	54.2 Å²	54.2	19%	0.192	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	17.7	176.9	-33.7	-59.1	0	0	0	114.4	E384 L388 P423 W454 C455 S457	E384-Y459 WeakPolarHBondContact CB-OH 3.5Å; E384-Y459 PolarHBondContact OE2-OH 2.97Å; L388-Y459 HydrophobicContact CD1-CD1 3.82Å; L388-Y459 HydrophobicContact CD1-CE1 3.23Å; P423-Y459 HydrophobicContact CB-CG 4.5Å; P423-Y459 HydrophobicContact CG-CD1 4.12Å; P423-Y459 HydrophobicContact CG-CD2 3.98Å; P423-Y459 HydrophobicContact CG-CE2 4.37Å; P423-Y459 HydrophobicContact CG-CG 3.82Å; W454-Y459 HydrophobicContact CD2-CD1 4.36Å; W454-Y459 HydrophobicContact CE3-CD1 4.1Å; W454-Y459 HydrophobicContact CH2-CD1 4.17Å; W454-Y459 HydrophobicContact CH2-CG 4.48Å; W454-Y459 HydrophobicContact CZ2-CD1 4.39Å; W454-Y459 HydrophobicContact CZ2-CG 4.4Å; W454-Y459 HydrophobicContact CZ3-CD1 4.01Å; W454-Y459 VanDerWaalsContact NE1-C 3.34Å; W454-Y459 PolarHBondContact NE1-O 3.32Å; W454-Y459 VanDerWaalsContact NE1-O 3.11Å; W454-Y459 WeakPolarHBondContact O-CA 3.4Å; W454-Y459 PolarHBondContact O-N 3.45Å; C455-Y459 HydrophobicContact CB-CE1 4.27Å; S457-Y459 PolarHBondContact O-N 2.88Å
460	K	93.2	Very high	93.9	Very high	165 Å²	165	57 Å²	57	72%	0.717	29%	0.293	S	S	*	.			trans	-89	-28.3	-172.8	-65.9	176.8	-176.4	171	0	114.4	S457 D458 S462	S457-K460 WeakPolarHBondContact O-CB 3.42Å; S457-K460 WeakPolarHBondContact O-CG 3.36Å; S457-K460 PolarHBondContact O-N 3.32Å; S457-K460 PolarHBondContact OG-N 3.33Å; D458-K460 PolarHBondContact O-N 2.82Å; K460-S462 PolarHBondContact O-N 2.78Å
461	L	95.2	Very high	93.9	Very high	53 Å²	53	58 Å²	58	28%	0.277	30%	0.298	S	S	.	.			trans	-62.9	130.3	-178	-70.2	168	0	0	0	111	W454 S457 E465 L466	W454-L461 VanDerWaalsContact CD1-O 3.23Å; W454-L461 PolarHBondContact NE1-O 3.29Å; S457-L461 VanDerWaalsContact CB-CG 3.48Å; S457-L461 WeakPolarHBondContact OG-CG 3.49Å; S457-L461 PolarHBondContact OG-N 2.65Å; L461-E465 HydrophobicContact CD2-CB 3.84Å; L461-L466 HydrophobicContact CB-CD1 4.35Å; L461-L466 HydrophobicContact CB-CD2 4.13Å; L461-L466 HydrophobicContact CB-CG 3.92Å; L461-L466 HydrophobicContact CD1-CD2 3.83Å; L461-L466 HydrophobicContact CD1-CG 4.48Å
462	S	95.9	Very high	93.8	Very high	48 Å²	48	57 Å²	57	34%	0.336	30%	0.296	S	S	.	.			trans	-77.3	171.4	172.8	65.2	0	0	0	0	111.9	K460 D464 E465 L466	K460-S462 PolarHBondContact O-N 2.78Å; S462-D464 VanDerWaalsContact C-N 3.33Å; S462-D464 PolarHBondContact O-N 3.31Å; S462-E465 WeakPolarHBondContact CB-OE2 3.36Å; S462-E465 PolarHBondContact N-OE2 3.32Å; S462-E465 PolarHBondContact O-N 2.9Å; S462-E465 VanDerWaalsContact OG-CG 3.32Å; S462-E465 WeakPolarHBondContact OG-CG 3.5Å; S462-E465 PolarHBondContact OG-N 3.11Å; S462-E465 PolarHBondContact OG-OE2 3.44Å; S462-L466 WeakPolarHBondContact O-CG 3.42Å; S462-L466 PolarHBondContact O-N 3.23Å; S462-L466 VanDerWaalsContact O-N 3.11Å
463	A	95.5	Very high	93.8	Very high	20 Å²	20	59.8 Å²	59.8	17%	0.165	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-41.2	176.3	0	0	0	0	0	112.2	P426 V427 L431 L466 L467	P426-A463 HydrophobicContact CB-CB 4.19Å; V427-A463 HydrophobicContact CG2-CB 4.32Å; L431-A463 HydrophobicContact CD2-CB 3.75Å; A463-L466 PolarHBondContact O-N 3.4Å; A463-L467 VanDerWaalsContact O-CB 3.29Å; A463-L467 WeakPolarHBondContact O-CB 3.44Å; A463-L467 VanDerWaalsContact O-CG 3.31Å; A463-L467 WeakPolarHBondContact O-CG 3.23Å; A463-L467 PolarHBondContact O-N 2.97Å
464	D	94.4	Very high	93.8	Very high	119 Å²	119	62.8 Å²	62.8	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-68.8	-36.2	-178	-63.1	-28.3	0	0	0	111.9	S462	S462-D464 VanDerWaalsContact C-N 3.33Å; S462-D464 PolarHBondContact O-N 3.31Å
465	E	95.8	Very high	93.7	Very high	107 Å²	107	62.6 Å²	62.6	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-69.8	-34.9	175.4	-68.1	166.3	127.9	0	0	112	L461 S462	L461-E465 HydrophobicContact CD2-CB 3.84Å; S462-E465 WeakPolarHBondContact CB-OE2 3.36Å; S462-E465 PolarHBondContact N-OE2 3.32Å; S462-E465 PolarHBondContact O-N 2.9Å; S462-E465 VanDerWaalsContact OG-CG 3.32Å; S462-E465 WeakPolarHBondContact OG-CG 3.5Å; S462-E465 PolarHBondContact OG-N 3.11Å; S462-E465 PolarHBondContact OG-OE2 3.44Å
466	L	95.9	Very high	93.7	Very high	1 Å²	1	64 Å²	64	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-73.9	-35.5	175.7	-74.9	168.4	0	0	0	112.3	F425 P426 V427 L450 Q453 W454 L461 S462 A463 T468 N471	F425-L466 HydrophobicContact CE2-CD1 4.08Å; P426-L466 HydrophobicContact CG-CD1 3.91Å; V427-L466 HydrophobicContact CG2-CB 4.1Å; V427-L466 HydrophobicContact CG2-CD1 3.91Å; L450-L466 HydrophobicContact CD2-CB 4.27Å; L450-L466 HydrophobicContact CD2-CD2 4.46Å; Q453-L466 HydrophobicContact CB-CD2 4.19Å; W454-L466 HydrophobicContact CB-CD1 4.11Å; W454-L466 HydrophobicContact CB-CD2 4.38Å; W454-L466 HydrophobicContact CG-CD1 4.38Å; L461-L466 HydrophobicContact CB-CD1 4.35Å; L461-L466 HydrophobicContact CB-CD2 4.13Å; L461-L466 HydrophobicContact CB-CG 3.92Å; L461-L466 HydrophobicContact CD1-CD2 3.83Å; L461-L466 HydrophobicContact CD1-CG 4.48Å; S462-L466 WeakPolarHBondContact O-CG 3.42Å; S462-L466 PolarHBondContact O-N 3.23Å; S462-L466 VanDerWaalsContact O-N 3.11Å; A463-L466 PolarHBondContact O-N 3.4Å; L466-T468 PolarHBondContact O-N 3.1Å; L466-N471 PolarHBondContact O-ND2 2.93Å
467	L	95.5	Very high	93.7	Very high	10 Å²	10	61.9 Å²	61.9	5%	0.052	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	32	-170.5	-64.6	178.7	0	0	0	114.9	V427 L431 L432 Q435 W436 L450 A463	V427-L467 HydrophobicContact CG1-CD1 4.2Å; V427-L467 HydrophobicContact CG1-CD2 4.08Å; V427-L467 HydrophobicContact CG1-CG 4.45Å; V427-L467 HydrophobicContact CG2-CD1 4.2Å; V427-L467 HydrophobicContact CG2-CD2 4.31Å; V427-L467 HydrophobicContact CG2-CG 4.06Å; L431-L467 HydrophobicContact CD2-CD1 3.38Å; L431-L467 HydrophobicContact CG-CD1 3.69Å; L432-L467 HydrophobicContact CD1-CD2 3.62Å; Q435-L467 HydrophobicContact CG-CD1 4.46Å; Q435-L467 VanDerWaalsContact OE1-CD1 3.26Å; W436-L467 HydrophobicContact CD2-CD2 4.02Å; W436-L467 HydrophobicContact CE3-CD2 4.27Å; W436-L467 HydrophobicContact CH2-CD2 4.03Å; W436-L467 HydrophobicContact CZ2-CB 4.16Å; W436-L467 HydrophobicContact CZ2-CD2 3.76Å; W436-L467 HydrophobicContact CZ3-CD2 4.26Å; W436-L467 PolarHBondContact NE1-O 3.1Å; L450-L467 HydrophobicContact CD1-CD2 3.98Å; A463-L467 VanDerWaalsContact O-CB 3.29Å; A463-L467 WeakPolarHBondContact O-CB 3.44Å; A463-L467 VanDerWaalsContact O-CG 3.31Å; A463-L467 WeakPolarHBondContact O-CG 3.23Å; A463-L467 PolarHBondContact O-N 2.97Å
468	T	95.4	Very high	93.5	Very high	54 Å²	54	64 Å²	64	33%	0.331	33%	0.327	S	S	.	.			trans	-74	148.6	175.1	60.1	0	0	0	0	112.7	W436 L466 S470 N471 K472	W436-T468 WeakPolarHBondContact CZ2-O 3.28Å; L466-T468 PolarHBondContact O-N 3.1Å; T468-S470 VanDerWaalsContact C-N 3.25Å; T468-S470 PolarHBondContact O-N 2.82Å; T468-S470 PolarHBondContact OG1-OG 3.41Å; T468-N471 PolarHBondContact O-N 3.05Å; T468-N471 VanDerWaalsContact O-N 3.07Å; T468-N471 VanDerWaalsContact OG1-CB 3.25Å; T468-N471 WeakPolarHBondContact OG1-CB 3.47Å; T468-N471 PolarHBondContact OG1-N 3.03Å; T468-K472 PolarHBondContact O-N 2.94Å
469	E	92.3	Very high	93.5	Very high	116 Å²	116	61.8 Å²	61.8	54%	0.542	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-32.5	-180	-162.8	64.7	-158.2	0	0	112.1	K472 Q473	E469-K472 WeakPolarHBondContact O-CB 3.49Å; E469-K472 PolarHBondContact O-N 3.47Å; E469-K472 WeakPolarHBondContact OE1-CD 3.35Å; E469-K472 IonicContact OE1-NZ 2.85Å; E469-K472 PolarHBondContact OE1-NZ 2.87Å; E469-K472 VanDerWaalsContact OE1-NZ 3.1Å; E469-K472 IonicContact OE2-NZ 2.66Å; E469-Q473 PolarHBondContact O-N 3.41Å; E469-Q473 VanDerWaalsContact O-N 3.1Å
470	S	93.7	Very high	93	Very high	94 Å²	94	65.2 Å²	65.2	66%	0.657	34%	0.337	S	S	*	.	H	α-helix	trans	-63.4	-42	173.2	55.6	0	0	0	0	111.8	T468 Q473 F474	T468-S470 VanDerWaalsContact C-N 3.25Å; T468-S470 PolarHBondContact O-N 2.82Å; T468-S470 PolarHBondContact OG1-OG 3.41Å; S470-Q473 PolarHBondContact O-N 2.75Å; S470-F474 WeakPolarHBondContact O-CB 3.3Å; S470-F474 PolarHBondContact O-N 3.07Å
471	N	94.9	Very high	92	Very high	21 Å²	21	63.7 Å²	63.7	11%	0.112	34%	0.337	C	S	.	.	H	α-helix	trans	-71.5	-35.4	179.1	-164.2	36.1	0	0	0	112.1	Q453 L466 T468 F474 I475	Q453-N471 PolarHBondContact NE2-OD1 3.16Å; Q453-N471 PolarHBondContact OE1-ND2 3.16Å; Q453-N471 PolarHBondContact OE1-OD1 3.26Å; L466-N471 PolarHBondContact O-ND2 2.93Å; T468-N471 PolarHBondContact O-N 3.05Å; T468-N471 VanDerWaalsContact O-N 3.07Å; T468-N471 VanDerWaalsContact OG1-CB 3.25Å; T468-N471 WeakPolarHBondContact OG1-CB 3.47Å; T468-N471 PolarHBondContact OG1-N 3.03Å; N471-F474 PolarHBondContact O-N 3.06Å; N471-I475 WeakPolarHBondContact O-CG1 3.47Å; N471-I475 PolarHBondContact O-N 3.16Å
472	K	94.6	Very high	90.3	Very high	37 Å²	37	66.9 Å²	66.9	16%	0.161	35%	0.35	C	S	.	.	H	α-helix	trans	-55.4	-52.6	170.9	-175.2	-174.9	173.9	-171.2	0	111.1	W436 T468 E469 F474 I475 L476	W436-K472 HydrophobicContact CB-CD 4.03Å; W436-K472 HydrophobicContact CB-CG 4.47Å; W436-K472 HydrophobicContact CD2-CB 3.83Å; W436-K472 HydrophobicContact CD2-CD 3.9Å; W436-K472 HydrophobicContact CD2-CG 3.67Å; W436-K472 HydrophobicContact CE3-CB 4.06Å; W436-K472 HydrophobicContact CE3-CD 4.49Å; W436-K472 HydrophobicContact CE3-CG 3.81Å; W436-K472 HydrophobicContact CG-CB 4.44Å; W436-K472 HydrophobicContact CG-CD 3.68Å; W436-K472 HydrophobicContact CG-CG 3.99Å; W436-K472 VanDerWaalsContact CH2-CA 3.49Å; W436-K472 HydrophobicContact CH2-CB 3.82Å; W436-K472 HydrophobicContact CH2-CG 4.46Å; W436-K472 HydrophobicContact CZ2-CB 3.55Å; W436-K472 HydrophobicContact CZ2-CG 4.33Å; W436-K472 HydrophobicContact CZ3-CB 4.07Å; W436-K472 HydrophobicContact CZ3-CG 4.22Å; T468-K472 PolarHBondContact O-N 2.94Å; E469-K472 WeakPolarHBondContact O-CB 3.49Å; E469-K472 PolarHBondContact O-N 3.47Å; E469-K472 WeakPolarHBondContact OE1-CD 3.35Å; E469-K472 IonicContact OE1-NZ 2.85Å; E469-K472 PolarHBondContact OE1-NZ 2.87Å; E469-K472 VanDerWaalsContact OE1-NZ 3.1Å; E469-K472 IonicContact OE2-NZ 2.66Å; K472-F474 VanDerWaalsContact C-N 3.34Å; K472-F474 PolarHBondContact O-N 3Å; K472-I475 PolarHBondContact O-N 2.77Å; K472-L476 HydrophobicContact CG-CD1 4.01Å; K472-L476 WeakPolarHBondContact O-CB 3.28Å; K472-L476 VanDerWaalsContact O-CG 3.31Å; K472-L476 WeakPolarHBondContact O-CG 3.45Å; K472-L476 PolarHBondContact O-N 3.21Å
473	Q	92.9	Very high	87.8	Confident	98 Å²	98	70 Å²	70	46%	0.458	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-45.4	-179.9	-167.8	62	42.8	0	0	110.8	E469 S470 I475 L476 D477	E469-Q473 PolarHBondContact O-N 3.41Å; E469-Q473 VanDerWaalsContact O-N 3.1Å; S470-Q473 PolarHBondContact O-N 2.75Å; Q473-I475 PolarHBondContact O-N 3.43Å; Q473-L476 PolarHBondContact O-N 2.75Å; Q473-D477 PolarHBondContact NE2-OD1 3.47Å; Q473-D477 WeakPolarHBondContact O-CB 3.45Å; Q473-D477 PolarHBondContact O-N 2.99Å
474	F	94.4	Very high	85.1	Confident	104 Å²	104	74.7 Å²	74.7	46%	0.456	40%	0.398	S	S	.	.	H	α-helix	trans	-56.2	-48.1	176.9	175.8	-101.2	0	0	0	112.9	S470 N471 K472 D477 Q478	S470-F474 WeakPolarHBondContact O-CB 3.3Å; S470-F474 PolarHBondContact O-N 3.07Å; N471-F474 PolarHBondContact O-N 3.06Å; K472-F474 VanDerWaalsContact C-N 3.34Å; K472-F474 PolarHBondContact O-N 3Å; F474-D477 PolarHBondContact O-N 3.08Å; F474-Q478 HydrophobicContact CE1-CG 4.2Å; F474-Q478 HydrophobicContact CE2-CG 4.29Å; F474-Q478 HydrophobicContact CZ-CG 4.05Å; F474-Q478 VanDerWaalsContact O-CG 3.26Å; F474-Q478 WeakPolarHBondContact O-CG 3.18Å; F474-Q478 PolarHBondContact O-N 3.25Å
475	I	93.4	Very high	82.3	Confident	2 Å²	2	75.5 Å²	75.5	1%	0.01	40%	0.402	C	S	.	.	H	α-helix	trans	-66.7	-43.1	-179.7	-69.8	174.4	0	0	0	111.1	W436 V446 K449 L450 N471 K472 Q473 Q478 L479	W436-I475 HydrophobicContact CH2-CD1 4.36Å; W436-I475 HydrophobicContact CZ3-CD1 4.43Å; V446-I475 HydrophobicContact CB-CG2 4.47Å; V446-I475 HydrophobicContact CG1-CG2 4.24Å; V446-I475 HydrophobicContact CG2-CG2 4.2Å; K449-I475 HydrophobicContact CB-CD1 4.08Å; K449-I475 HydrophobicContact CB-CG1 4.13Å; K449-I475 HydrophobicContact CB-CG2 3.84Å; K449-I475 HydrophobicContact CG-CG2 4.19Å; L450-I475 HydrophobicContact CD2-CD1 3.45Å; L450-I475 VanDerWaalsContact CD2-CD1 3.45Å; L450-I475 HydrophobicContact CG-CD1 3.76Å; N471-I475 WeakPolarHBondContact O-CG1 3.47Å; N471-I475 PolarHBondContact O-N 3.16Å; K472-I475 PolarHBondContact O-N 2.77Å; Q473-I475 PolarHBondContact O-N 3.43Å; I475-Q478 PolarHBondContact O-N 3.39Å; I475-L479 HydrophobicContact CG2-CD1 3.89Å; I475-L479 HydrophobicContact CG2-CG 4.38Å; I475-L479 WeakPolarHBondContact O-CB 3.45Å; I475-L479 VanDerWaalsContact O-CG 3.28Å; I475-L479 WeakPolarHBondContact O-CG 3.48Å; I475-L479 PolarHBondContact O-N 2.79Å
476	L	91.9	Very high	79.4	Confident	33 Å²	33	72.5 Å²	72.5	17%	0.173	39%	0.393	C	S	.	.	H	α-helix	trans	-66	-38.8	179.3	-68.3	177.8	0	0	0	111.8	I438 V446 K472 Q473 L479 N480	I438-L476 HydrophobicContact CD1-CD1 4.49Å; I438-L476 HydrophobicContact CD1-CD2 4.05Å; V446-L476 HydrophobicContact CG2-CD2 4.29Å; K472-L476 HydrophobicContact CG-CD1 4.01Å; K472-L476 WeakPolarHBondContact O-CB 3.28Å; K472-L476 VanDerWaalsContact O-CG 3.31Å; K472-L476 WeakPolarHBondContact O-CG 3.45Å; K472-L476 PolarHBondContact O-N 3.21Å; Q473-L476 PolarHBondContact O-N 2.75Å; L476-L479 PolarHBondContact O-N 3.27Å; L476-N480 WeakPolarHBondContact O-CB 3.45Å; L476-N480 VanDerWaalsContact O-CG 3.29Å; L476-N480 PolarHBondContact O-N 3.15Å; L476-N480 PolarHBondContact O-ND2 3.33Å
477	D	91.7	Very high	76.6	Confident	69 Å²	69	79 Å²	79	37%	0.369	42%	0.421	S	S	.	.	H	α-helix	trans	-64.6	-42.3	175.4	-69.5	-15.2	0	0	0	111.2	Q473 F474 L479 N480 N481	Q473-D477 PolarHBondContact NE2-OD1 3.47Å; Q473-D477 WeakPolarHBondContact O-CB 3.45Å; Q473-D477 PolarHBondContact O-N 2.99Å; F474-D477 PolarHBondContact O-N 3.08Å; D477-L479 VanDerWaalsContact C-N 3.35Å; D477-L479 PolarHBondContact O-N 3.49Å; D477-N480 PolarHBondContact O-N 3.3Å; D477-N481 WeakPolarHBondContact O-CB 3.33Å; D477-N481 VanDerWaalsContact O-CG 3.26Å; D477-N481 PolarHBondContact O-N 3.11Å; D477-N481 PolarHBondContact O-ND2 3.07Å; D477-N481 VanDerWaalsContact O-ND2 3.14Å
478	Q	88.2	Confident	73.9	Confident	74 Å²	74	80.3 Å²	80.3	35%	0.346	43%	0.43	S	S	.	.	H	α-helix	trans	-59.5	-44.4	173.4	-72.9	-121	-30.8	0	0	112.1	F474 I475 N480 N481 H482	F474-Q478 HydrophobicContact CE1-CG 4.2Å; F474-Q478 HydrophobicContact CE2-CG 4.29Å; F474-Q478 HydrophobicContact CZ-CG 4.05Å; F474-Q478 VanDerWaalsContact O-CG 3.26Å; F474-Q478 WeakPolarHBondContact O-CG 3.18Å; F474-Q478 PolarHBondContact O-N 3.25Å; I475-Q478 PolarHBondContact O-N 3.39Å; Q478-N480 VanDerWaalsContact C-N 3.34Å; Q478-N480 PolarHBondContact O-N 3.08Å; Q478-N481 PolarHBondContact O-N 2.85Å; Q478-H482 PolarHBondContact O-N 2.96Å; Q478-H482 VanDerWaalsContact O-N 3.16Å
479	L	87	Confident	71.3	Confident	23 Å²	23	82.9 Å²	82.9	12%	0.12	44%	0.438	C	S	.	.	H	α-helix	trans	-70.8	-27.6	-179.8	-69.9	174.1	0	0	0	113.2	P445 V446 I475 L476 D477 C486	P445-L479 HydrophobicContact CB-CD1 3.92Å; P445-L479 HydrophobicContact CB-CD2 3.69Å; P445-L479 HydrophobicContact CB-CG 4.49Å; V446-L479 HydrophobicContact CG2-CD1 3.66Å; I475-L479 HydrophobicContact CG2-CD1 3.89Å; I475-L479 HydrophobicContact CG2-CG 4.38Å; I475-L479 WeakPolarHBondContact O-CB 3.45Å; I475-L479 VanDerWaalsContact O-CG 3.28Å; I475-L479 WeakPolarHBondContact O-CG 3.48Å; I475-L479 PolarHBondContact O-N 2.79Å; L476-L479 PolarHBondContact O-N 3.27Å; D477-L479 VanDerWaalsContact C-N 3.35Å; D477-L479 PolarHBondContact O-N 3.49Å; L479-C486 HydrophobicContact CD2-CB 4.23Å
480	N	81.8	Confident	68.9	Low	122 Å²	122	85.7 Å²	85.7	65%	0.652	44%	0.444	S	S	*	.	H	α-helix	trans	-79.2	-36.4	175.3	-75.3	-28.4	0	0	0	112.4	L476 D477 Q478 H482	L476-N480 WeakPolarHBondContact O-CB 3.45Å; L476-N480 VanDerWaalsContact O-CG 3.29Å; L476-N480 PolarHBondContact O-N 3.15Å; L476-N480 PolarHBondContact O-ND2 3.33Å; D477-N480 PolarHBondContact O-N 3.3Å; Q478-N480 VanDerWaalsContact C-N 3.34Å; Q478-N480 PolarHBondContact O-N 3.08Å; N480-H482 VanDerWaalsContact C-N 3.34Å
481	N	72.4	Confident	66.5	Low	133 Å²	133	83.1 Å²	83.1	71%	0.711	42%	0.421	S	S	*	.	H	α-helix	trans	-75.5	-23.2	179.4	-72	-30.4	0	0	0	113.1	D477 Q478	D477-N481 WeakPolarHBondContact O-CB 3.33Å; D477-N481 VanDerWaalsContact O-CG 3.26Å; D477-N481 PolarHBondContact O-N 3.11Å; D477-N481 PolarHBondContact O-ND2 3.07Å; D477-N481 VanDerWaalsContact O-ND2 3.14Å; Q478-N481 PolarHBondContact O-N 2.85Å
482	H	58.7	Low	64	Low	119 Å²	119	83.9 Å²	83.9	55%	0.551	43%	0.425	S	S	*	.	S	Bend	trans	-96.4	102.4	168.8	-73.1	-4.3	0	0	0	109	Q478 N480 V484	Q478-H482 PolarHBondContact O-N 2.96Å; Q478-H482 VanDerWaalsContact O-N 3.16Å; N480-H482 VanDerWaalsContact C-N 3.34Å; H482-V484 PolarHBondContact O-N 3.5Å
483	S	42.6	Very low	61.2	Low	115 Å²	115	86.3 Å²	86.3	80%	0.804	44%	0.443	S	S	*	.			trans	-56.5	89.7	168.5	53.1	0	0	0	0	110.3	D485	S483-D485 PolarHBondContact O-N 3Å; S483-D485 VanDerWaalsContact O-N 3.09Å
484	V	39.6	Very low	59	Low	118 Å²	118	86.8 Å²	86.8	72%	0.715	44%	0.44	S	S	*	.	S	Bend	trans	33.4	63.7	159.9	-163	0	0	0	0	115.3	H482	H482-V484 PolarHBondContact O-N 3.5Å
485	D	36.5	Very low	56.1	Low	135 Å²	135	86 Å²	86	72%	0.722	45%	0.453	S	S	*	.			trans	-125.9	19.4	151.6	-104.5	-18.4	0	0	0	112.8	S483 K487	S483-D485 PolarHBondContact O-N 3Å; S483-D485 VanDerWaalsContact O-N 3.09Å; D485-K487 PolarHBondContact O-N 3.48Å
486	C	34.8	Very low	53.3	Low	44 Å²	44	95.9 Å²	95.9	30%	0.297	50%	0.496	S	S	.	.			trans	-75.2	49.2	156.9	-77.9	0	0	0	0	110.8	L479 P488	L479-C486 HydrophobicContact CD2-CB 4.23Å; C486-P488 WeakPolarHBondContact O-CD 3.32Å
487	K	35.7	Very low	50.7	Low	139 Å²	139	100.7 Å²	100.7	60%	0.604	51%	0.512	S	S	*	.			trans	-78.6	115	154.5	-75.4	176.3	-172.7	157.4	0	104.2	D485 E489	D485-K487 PolarHBondContact O-N 3.48Å; K487-E489 PolarHBondContact O-N 2.94Å
488	P	38.6	Very low	47.7	Very low	37 Å²	37	102 Å²	102	24%	0.24	53%	0.526	C	S	.	.			trans	-51	119.6	161.9	23.6	-30.8	0	0	0	104.3	F391 F448 C486 R490	F391-P488 HydrophobicContact CD2-CB 4Å; F391-P488 HydrophobicContact CD2-CG 3.85Å; F391-P488 HydrophobicContact CE2-CB 3.99Å; F391-P488 HydrophobicContact CE2-CG 3.77Å; F448-P488 HydrophobicContact CD2-CB 4.34Å; F448-P488 HydrophobicContact CE2-CB 4.45Å; C486-P488 WeakPolarHBondContact O-CD 3.32Å; P488-R490 PolarHBondContact O-N 3.39Å
489	E	42.3	Very low	44.8	Very low	108 Å²	108	110.4 Å²	110.4	51%	0.505	56%	0.555	S	S	.	*			trans	-38.3	106.7	-172.5	-81.5	174.8	154.6	0	0	106.1	K364 K487 F491	K364-E489 IonicContact NZ-OE2 2.78Å; K364-E489 PolarHBondContact NZ-OE2 3.25Å; K487-E489 PolarHBondContact O-N 2.94Å; E489-F491 HydrophobicContact CB-CD1 4.44Å; E489-F491 HydrophobicContact CB-CD2 4.19Å; E489-F491 HydrophobicContact CB-CE1 4.2Å; E489-F491 HydrophobicContact CB-CE2 3.93Å; E489-F491 HydrophobicContact CB-CG 4.44Å; E489-F491 HydrophobicContact CB-CZ 3.93Å; E489-F491 WeakPolarHBondContact O-CD2 3.27Å; E489-F491 PolarHBondContact O-N 3.43Å; E489-F491 WeakPolarHBondContact OE2-CE1 3.38Å; E489-F491 VanDerWaalsContact OE2-CZ 3.26Å; E489-F491 WeakPolarHBondContact OE2-CZ 3.44Å
490	R	41.1	Very low	42.1	Very low	174 Å²	174	123.7 Å²	123.7	66%	0.657	60%	0.604	S	S	*	*			trans	-69.4	89.8	170.5	-84	-167.6	-179.6	-177.5	-3.9	101.3	P488 I492 T493	P488-R490 PolarHBondContact O-N 3.39Å; R490-I492 PolarHBondContact O-N 3.24Å; R490-T493 HydrophobicContact CB-CG2 4.03Å; R490-T493 HydrophobicContact CG-CG2 4.31Å
491	F	43.1	Very low	40.1	Very low	40 Å²	40	123.8 Å²	123.8	18%	0.175	60%	0.601	C	S	.	*	S	Bend	trans	-53.5	-18.6	-176.7	-77.7	-78.8	0	0	0	110.6	L359 Y360 E489	L359-F491 VanDerWaalsContact CD1-O 3.27Å; L359-F491 WeakPolarHBondContact CD1-O 3.39Å; Y360-F491 HydrophobicContact CD2-CE1 4.12Å; Y360-F491 HydrophobicContact CD2-CZ 4.4Å; E489-F491 HydrophobicContact CB-CD1 4.44Å; E489-F491 HydrophobicContact CB-CD2 4.19Å; E489-F491 HydrophobicContact CB-CE1 4.2Å; E489-F491 HydrophobicContact CB-CE2 3.93Å; E489-F491 HydrophobicContact CB-CG 4.44Å; E489-F491 HydrophobicContact CB-CZ 3.93Å; E489-F491 WeakPolarHBondContact O-CD2 3.27Å; E489-F491 PolarHBondContact O-N 3.43Å; E489-F491 WeakPolarHBondContact OE2-CE1 3.38Å; E489-F491 VanDerWaalsContact OE2-CZ 3.26Å; E489-F491 WeakPolarHBondContact OE2-CZ 3.44Å
492	I	42	Very low	38.4	Very low	38 Å²	38	123.3 Å²	123.3	20%	0.195	60%	0.595	C	S	.	*			trans	-146.9	107.1	166.9	-45.9	166.6	0	0	0	110.8	N352 L355 T356 L359 R490	N352-I492 WeakPolarHBondContact O-CD1 3.16Å; L355-I492 HydrophobicContact CB-CD1 3.45Å; L355-I492 VanDerWaalsContact CB-CD1 3.45Å; L355-I492 HydrophobicContact CB-CG1 4.11Å; L355-I492 HydrophobicContact CD1-CG2 4.17Å; T356-I492 WeakPolarHBondContact OG1-CD1 3.5Å; L359-I492 HydrophobicContact CD1-CG1 4.22Å; R490-I492 PolarHBondContact O-N 3.24Å
493	T	37.4	Very low	37.3	Very low	88 Å²	88	123.6 Å²	123.6	54%	0.54	60%	0.598	S	S	.	*			trans	-99.6	105.8	147.2	36.1	0	0	0	0	108.5	R490 A495	R490-T493 HydrophobicContact CB-CG2 4.03Å; R490-T493 HydrophobicContact CG-CG2 4.31Å; T493-A495 PolarHBondContact O-N 3.37Å
494	R	45	Very low	37	Very low	107 Å²	107	124.1 Å²	124.1	40%	0.404	59%	0.586	S	S	.	*			trans	-54.1	112.7	158.2	-93.7	-178.4	169.6	164.4	3	106.4	D345 L350 K496	D345-R494 IonicContact OD1-NH2 3.14Å; L350-R494 PolarHBondContact O-NH2 3.37Å; R494-K496 PolarHBondContact O-N 3.07Å; R494-K496 VanDerWaalsContact O-N 3.12Å
495	A	35	Very low	36.8	Very low	88 Å²	88	124.4 Å²	124.4	73%	0.727	58%	0.578	S	S	*	*			trans	-48.4	125.6	162.6	0	0	0	0	0	106.2	T493 R497	T493-A495 PolarHBondContact O-N 3.37Å; A495-R497 PolarHBondContact O-N 3.06Å
496	K	34.5	Very low	36.8	Very low	210 Å²	210	123.7 Å²	123.7	91%	0.913	57%	0.568	S	S	*	*			trans	-48.6	107.3	-177.8	-80.5	178.3	173.8	178	0	107.4	R494 S498	R494-K496 PolarHBondContact O-N 3.07Å; R494-K496 VanDerWaalsContact O-N 3.12Å; K496-S498 PolarHBondContact O-N 3.34Å
497	R	35.9	Very low	37	Very low	133 Å²	133	129.4 Å²	129.4	50%	0.502	59%	0.587	S	S	.	*			trans	-55.1	108.1	169.9	-83.7	-177	176	173.1	2	105.6	A495 R499	A495-R497 PolarHBondContact O-N 3.06Å; R497-R499 PolarHBondContact O-N 3.23Å
498	S	28.6	Very low	37.1	Very low	96 Å²	96	128.7 Å²	128.7	67%	0.671	59%	0.586	S	S	*	*			trans	-61.1	109.9	163.9	69	0	0	0	0	104.9	K496 R500	K496-S498 PolarHBondContact O-N 3.34Å; S498-R500 PolarHBondContact O-N 3.32Å
499	R	27.5	Very low	36.9	Very low	251 Å²	251	136.3 Å²	136.3	95%	0.947	62%	0.615	S	S	*	*			trans	-60.1	97.6	156.4	-76.1	-179.3	175.1	174.2	-2.4	104.9	R497	R497-R499 PolarHBondContact O-N 3.23Å
500	R	30.7	Very low	36.4	Very low	303 Å²	303	138.9 Å²	138.9	100%	1.143	63%	0.625	S	S	*	*			trans	-100.7	0	156.2	-90.6	-170.3	174.9	-176.3	-0	106.7	S498	S498-R500 PolarHBondContact O-N 3.32Å

Retrieved 500 of 500 residues in 865.4 ms (Link to these results)

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