A0A077ZL83_TRITR Loading...

Mitochondrial import inner membrane translocase

AlphaFold DB , UniProt , Accession A0A077ZL83, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 454 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	43.5	Very low	36.8	Very low	251 Å²	251	158.5 Å²	158.5	100%	1.236	84%	0.842	S	S	*	*				0	96.9	0	-74.8	175.7	168.4	0	0	108.1
2	L	36	Very low	36.8	Very low	168 Å²	168	154.8 Å²	154.8	88%	0.88	83%	0.83	S	S	*	*			trans	-76.3	-178.8	165.9	-84.8	158.5	0	0	0	109.6
3	P	45.8	Very low	36.5	Very low	100 Å²	100	154.6 Å²	154.6	65%	0.649	83%	0.826	S	S	*	*			cis	-138.2	-180	-23.5	27.6	-3.9	0	0	0	112.2
4	S	39.6	Very low	36.2	Very low	109 Å²	109	161.1 Å²	161.1	76%	0.762	83%	0.833	S	S	*	*				170.7	116.3	96.4	46.1	0	0	0	0	109.7
5	C	36.1	Very low	35.8	Very low	113 Å²	113	160.2 Å²	160.2	76%	0.764	84%	0.837	S	S	*	*				75.2	99.2	83.3	-70.6	0	0	0	0	113.4
6	W	29.6	Very low	35.5	Very low	240 Å²	240	164.1 Å²	164.1	91%	0.909	84%	0.837	S	S	*	*				35.8	108.8	90.6	-76	84.1	0	0	0	114.8
7	T	37.5	Very low	34.9	Very low	136 Å²	136	160.2 Å²	160.2	83%	0.834	83%	0.829	S	S	*	*				164	147.4	118.8	29.2	0	0	0	0	114.4
8	A	36.4	Very low	34.9	Very low	93 Å²	93	162.2 Å²	162.2	77%	0.769	83%	0.825	S	S	*	*			trans	74.2	134.7	153.7	0	0	0	0	0	117.1
9	F	36.1	Very low	34.7	Very low	197 Å²	197	159.6 Å²	159.6	86%	0.864	82%	0.822	S	S	*	*				-162.7	134.6	55.5	-160	-103	0	0	0	111.7
10	R	28.3	Very low	34.4	Very low	237 Å²	237	161.3 Å²	161.3	89%	0.894	83%	0.826	S	S	*	*			trans	-80.1	149.9	174.4	-82.8	177.3	165.3	-170.9	-2.9	111.7
11	S	35.5	Very low	34.6	Very low	100 Å²	100	161.7 Å²	161.7	70%	0.699	83%	0.829	S	S	*	*			trans	152.3	132.3	143.8	58.7	0	0	0	0	107.8
12	T	37.6	Very low	34.2	Very low	114 Å²	114	155.2 Å²	155.2	70%	0.699	81%	0.806	S	S	*	*				-176.3	116.6	60.8	-64.4	0	0	0	0	110.6
13	I	33.1	Very low	34.3	Very low	152 Å²	152	156.9 Å²	156.9	78%	0.779	81%	0.806	S	S	*	*				47.2	119.5	128.5	-53.8	167.9	0	0	0	120.9
14	R	31.9	Very low	34	Very low	246 Å²	246	161.4 Å²	161.4	93%	0.928	82%	0.815	S	S	*	*				-168.9	103.1	109.9	-100.1	-174.6	-159.4	-170.5	5.5	111
15	V	29.6	Very low	34.7	Very low	147 Å²	147	161.6 Å²	161.6	89%	0.891	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-100.6	127.8	166.8	173.5	0	0	0	0	107.6
16	R	31.2	Very low	35.3	Very low	222 Å²	222	163.5 Å²	163.5	84%	0.838	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-97.5	125.1	175.6	-123.9	177.9	-178.3	176.3	-0.6	109.2
17	S	26.6	Very low	36.1	Very low	99 Å²	99	158.4 Å²	158.4	69%	0.692	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-87.2	141.5	176.1	153.8	0	0	0	0	110.9
18	Y	33.6	Very low	37.3	Very low	195 Å²	195	158.5 Å²	158.5	77%	0.765	78%	0.782	S	S	*	*			trans	-140	116.5	147.7	-78	-78	0	0	0	110.9
19	C	31.6	Very low	38.9	Very low	113 Å²	113	159.1 Å²	159.1	76%	0.764	77%	0.772	S	S	*	*			trans	73.8	94.1	147.4	-57.5	0	0	0	0	119.6
20	Q	29.5	Very low	40	Very low	194 Å²	194	153.5 Å²	153.5	91%	0.907	75%	0.751	S	S	*	*			trans	-77.1	132.9	141.2	-68.3	-179.2	-15.7	0	0	109
21	L	36.9	Very low	42	Very low	169 Å²	169	146 Å²	146	89%	0.885	73%	0.732	S	S	*	*			trans	-175.1	156.5	152	-97.9	177.1	0	0	0	108.4
22	P	35.4	Very low	43.8	Very low	116 Å²	116	144.9 Å²	144.9	75%	0.753	72%	0.718	S	S	*	*				-103.9	159.4	-100.3	38	-34.9	0	0	0	115.8	K24	P22-K24 PolarHBondContact O-N 3.16Å
23	K	38.3	Very low	45.5	Very low	202 Å²	202	146.2 Å²	146.2	88%	0.878	71%	0.711	S	S	*	*			trans	-51.4	123.7	169.6	-65	171	176.3	177.3	0	111.9
24	K	40.7	Very low	47.3	Very low	195 Å²	195	142.8 Å²	142.8	85%	0.848	70%	0.697	S	S	*	*	S	Bend	trans	-175.3	127.6	141.4	-96.9	155.6	-171.5	-170.2	0	109.8	P22 F26	P22-K24 PolarHBondContact O-N 3.16Å; K24-F26 VanDerWaalsContact C-N 3.34Å; K24-F26 PolarHBondContact O-N 3.34Å
25	N	53	Low	49.3	Very low	114 Å²	114	136.1 Å²	136.1	61%	0.61	68%	0.676	S	S	*	*	S	Bend	trans	58.5	7.9	165.9	-61.8	1.9	0	0	0	121.1	L27 K28 N29	N25-L27 PolarHBondContact O-N 3.47Å; N25-K28 PolarHBondContact O-N 3.45Å; N25-N29 PolarHBondContact O-N 3.48Å
26	F	49.1	Very low	51.7	Low	153 Å²	153	134.2 Å²	134.2	67%	0.671	66%	0.658	S	S	*	*	H	α-helix	trans	-61	-42.8	175.8	-169.9	-100.3	0	0	0	112.9	K24 K28 L30	K24-F26 VanDerWaalsContact C-N 3.34Å; K24-F26 PolarHBondContact O-N 3.34Å; F26-K28 PolarHBondContact O-N 3.27Å; F26-L30 HydrophobicContact CE1-CD1 3.86Å; F26-L30 HydrophobicContact CZ-CD1 4.01Å; F26-L30 WeakPolarHBondContact O-CB 3.43Å; F26-L30 PolarHBondContact O-N 3.33Å
27	L	46.4	Very low	53.5	Low	132 Å²	132	126.7 Å²	126.7	69%	0.691	63%	0.632	S	S	*	*	H	α-helix	trans	-68.6	-33.2	179.9	-67.7	176.7	0	0	0	112.9	N25 V31	N25-L27 PolarHBondContact O-N 3.47Å; L27-V31 WeakPolarHBondContact O-CB 3.33Å; L27-V31 WeakPolarHBondContact O-CG2 3.33Å; L27-V31 PolarHBondContact O-N 3.27Å
28	K	63.6	Low	55.5	Low	139 Å²	139	125.9 Å²	125.9	60%	0.604	62%	0.62	S	S	*	*	H	α-helix	trans	-74.1	-43.7	177.7	-162.1	179.5	179.3	-174	0	111.1	N25 F26 L30 V31 D32	N25-K28 PolarHBondContact O-N 3.45Å; F26-K28 PolarHBondContact O-N 3.27Å; K28-L30 VanDerWaalsContact C-N 3.26Å; K28-L30 PolarHBondContact O-N 3.02Å; K28-V31 PolarHBondContact O-N 3.03Å; K28-D32 WeakPolarHBondContact O-CB 3.41Å; K28-D32 VanDerWaalsContact O-CG 3.27Å; K28-D32 PolarHBondContact O-N 3.36Å
29	N	68.4	Low	57.4	Low	105 Å²	105	120.7 Å²	120.7	56%	0.561	60%	0.602	S	S	*	*	H	α-helix	trans	-64.3	-32.8	173	-70.6	-0.6	0	0	0	111.9	N25 Y33	N25-N29 PolarHBondContact O-N 3.48Å; N29-Y33 WeakPolarHBondContact O-CB 3.37Å; N29-Y33 PolarHBondContact O-N 3.02Å
30	L	60.8	Low	59.4	Low	80 Å²	80	119.6 Å²	119.6	42%	0.419	59%	0.585	S	S	.	*	H	α-helix	trans	-70.1	-41.8	174.6	-163.5	102.8	0	0	0	111.1	F26 K28 V34	F26-L30 HydrophobicContact CE1-CD1 3.86Å; F26-L30 HydrophobicContact CZ-CD1 4.01Å; F26-L30 WeakPolarHBondContact O-CB 3.43Å; F26-L30 PolarHBondContact O-N 3.33Å; K28-L30 VanDerWaalsContact C-N 3.26Å; K28-L30 PolarHBondContact O-N 3.02Å; L30-V34 HydrophobicContact CG-CG2 4.47Å; L30-V34 WeakPolarHBondContact O-CB 3.18Å; L30-V34 WeakPolarHBondContact O-CG2 3.35Å; L30-V34 PolarHBondContact O-N 3.47Å
31	V	70.4	Confident	61.3	Low	80 Å²	80	113.8 Å²	113.8	49%	0.485	56%	0.56	S	S	.	*	H	α-helix	trans	-67.5	-42.9	176.1	170.3	0	0	0	0	111.2	L27 K28 V34 Q35	L27-V31 WeakPolarHBondContact O-CB 3.33Å; L27-V31 WeakPolarHBondContact O-CG2 3.33Å; L27-V31 PolarHBondContact O-N 3.27Å; K28-V31 PolarHBondContact O-N 3.03Å; V31-V34 PolarHBondContact O-N 3.36Å; V31-Q35 WeakPolarHBondContact O-CB 3.25Å; V31-Q35 PolarHBondContact O-N 3.49Å
32	D	71.4	Confident	62.9	Low	76 Å²	76	110.9 Å²	110.9	41%	0.406	54%	0.54	S	S	.	.	H	α-helix	trans	-66.2	-41.8	177.1	-68.7	-20.1	0	0	0	110.5	K28 Q35 E36	K28-D32 WeakPolarHBondContact O-CB 3.41Å; K28-D32 VanDerWaalsContact O-CG 3.27Å; K28-D32 PolarHBondContact O-N 3.36Å; D32-Q35 PolarHBondContact O-N 3.22Å; D32-E36 VanDerWaalsContact O-CB 3.29Å; D32-E36 WeakPolarHBondContact O-CB 3.42Å; D32-E36 PolarHBondContact O-N 2.97Å
33	Y	74	Confident	64.4	Low	142 Å²	142	112 Å²	112	56%	0.557	54%	0.535	S	S	*	.	H	α-helix	trans	-64.9	-41	174	-178.8	-97.2	0	0	0	112.1	N29 E36 E37	N29-Y33 WeakPolarHBondContact O-CB 3.37Å; N29-Y33 PolarHBondContact O-N 3.02Å; Y33-E36 PolarHBondContact O-N 3.25Å; Y33-E37 HydrophobicContact CD1-CG 4.28Å; Y33-E37 HydrophobicContact CE1-CG 3.88Å; Y33-E37 HydrophobicContact CE2-CG 4.29Å; Y33-E37 VanDerWaalsContact O-CB 3.3Å; Y33-E37 WeakPolarHBondContact O-CB 3.47Å; Y33-E37 WeakPolarHBondContact O-CG 3.3Å; Y33-E37 PolarHBondContact O-N 3.41Å
34	V	70.4	Confident	65.7	Low	80 Å²	80	107.2 Å²	107.2	49%	0.485	52%	0.519	S	S	.	.	H	α-helix	trans	-68.8	-39.1	176.8	169.1	0	0	0	0	111	L30 V31 L38	L30-V34 HydrophobicContact CG-CG2 4.47Å; L30-V34 WeakPolarHBondContact O-CB 3.18Å; L30-V34 WeakPolarHBondContact O-CG2 3.35Å; L30-V34 PolarHBondContact O-N 3.47Å; V31-V34 PolarHBondContact O-N 3.36Å; V34-L38 VanDerWaalsContact O-CB 3.24Å; V34-L38 WeakPolarHBondContact O-CB 3.41Å; V34-L38 PolarHBondContact O-N 3.47Å
35	Q	75.1	Confident	66.6	Low	106 Å²	106	101.6 Å²	101.6	50%	0.495	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-43.8	173.4	-88.6	-173.8	-79.7	0	0	111.3	V31 D32 L38 E39	V31-Q35 WeakPolarHBondContact O-CB 3.25Å; V31-Q35 PolarHBondContact O-N 3.49Å; D32-Q35 PolarHBondContact O-N 3.22Å; Q35-L38 WeakPolarHBondContact O-CB 3.15Å; Q35-L38 PolarHBondContact O-N 3.19Å; Q35-E39 PolarHBondContact O-N 2.93Å
36	E	79.1	Confident	67.3	Low	106 Å²	106	99.6 Å²	99.6	50%	0.495	49%	0.486	S	S	.	.	H	α-helix	trans	-65.4	-41.4	178.7	-162	-173.9	156	0	0	111.5	D32 Y33 L38 E39 K40	D32-E36 VanDerWaalsContact O-CB 3.29Å; D32-E36 WeakPolarHBondContact O-CB 3.42Å; D32-E36 PolarHBondContact O-N 2.97Å; Y33-E36 PolarHBondContact O-N 3.25Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-E39 PolarHBondContact O-N 2.96Å; E36-K40 WeakPolarHBondContact O-CB 3.37Å; E36-K40 WeakPolarHBondContact O-CG 3.16Å; E36-K40 PolarHBondContact O-N 3.38Å; E36-K40 VanDerWaalsContact OE1-CE 3.25Å; E36-K40 WeakPolarHBondContact OE1-CE 3.46Å; E36-K40 IonicContact OE1-NZ 2.97Å; E36-K40 PolarHBondContact OE1-NZ 2.84Å
37	E	69.4	Low	68.1	Low	65 Å²	65	95.2 Å²	95.2	30%	0.304	47%	0.474	S	S	.	.	H	α-helix	trans	-66.9	-32.9	172.6	-78.3	-63.3	130.9	0	0	112.2	Y33 N41	Y33-E37 HydrophobicContact CD1-CG 4.28Å; Y33-E37 HydrophobicContact CE1-CG 3.88Å; Y33-E37 HydrophobicContact CE2-CG 4.29Å; Y33-E37 VanDerWaalsContact O-CB 3.3Å; Y33-E37 WeakPolarHBondContact O-CB 3.47Å; Y33-E37 WeakPolarHBondContact O-CG 3.3Å; Y33-E37 PolarHBondContact O-N 3.41Å; E37-N41 WeakPolarHBondContact O-CB 3.32Å; E37-N41 PolarHBondContact O-N 3.44Å; E37-N41 PolarHBondContact O-ND2 3.28Å
38	L	67.6	Low	69	Low	82 Å²	82	92.7 Å²	92.7	43%	0.429	46%	0.464	S	S	.	.	H	α-helix	trans	-69.7	-41.6	174.3	-157.9	93	0	0	0	111.3	V34 Q35 E36 N41 K42	V34-L38 VanDerWaalsContact O-CB 3.24Å; V34-L38 WeakPolarHBondContact O-CB 3.41Å; V34-L38 PolarHBondContact O-N 3.47Å; Q35-L38 WeakPolarHBondContact O-CB 3.15Å; Q35-L38 PolarHBondContact O-N 3.19Å; E36-L38 VanDerWaalsContact C-N 3.34Å; L38-N41 PolarHBondContact O-N 3.49Å; L38-K42 WeakPolarHBondContact O-CB 3.47Å; L38-K42 VanDerWaalsContact O-CG 3.28Å; L38-K42 WeakPolarHBondContact O-CG 3.36Å; L38-K42 PolarHBondContact O-N 2.89Å
39	E	75.4	Confident	68.7	Low	85 Å²	85	91.7 Å²	91.7	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-66.4	-43.5	175.8	-118.6	78.9	-113	0	0	111.1	Q35 E36 K42 Q43	Q35-E39 PolarHBondContact O-N 2.93Å; E36-E39 PolarHBondContact O-N 2.96Å; E39-K42 PolarHBondContact O-N 3.07Å; E39-K42 IonicContact OE1-NZ 3.6Å; E39-K42 PolarHBondContact OE1-NZ 3.45Å; E39-Q43 WeakPolarHBondContact O-CG 3.24Å; E39-Q43 PolarHBondContact O-N 3.24Å
40	K	73.8	Confident	68.4	Low	91 Å²	91	94.8 Å²	94.8	40%	0.396	47%	0.467	S	S	.	.	H	α-helix	trans	-62.1	-42.9	173.7	-75.5	174.4	-172.4	160.9	0	111.5	E36 Q43 L44	E36-K40 WeakPolarHBondContact O-CB 3.37Å; E36-K40 WeakPolarHBondContact O-CG 3.16Å; E36-K40 PolarHBondContact O-N 3.38Å; E36-K40 VanDerWaalsContact OE1-CE 3.25Å; E36-K40 WeakPolarHBondContact OE1-CE 3.46Å; E36-K40 IonicContact OE1-NZ 2.97Å; E36-K40 PolarHBondContact OE1-NZ 2.84Å; K40-Q43 PolarHBondContact O-N 2.97Å; K40-L44 WeakPolarHBondContact O-CB 3.48Å; K40-L44 WeakPolarHBondContact O-CG 3.41Å; K40-L44 PolarHBondContact O-N 2.81Å
41	N	68.2	Low	68.7	Low	71 Å²	71	93.6 Å²	93.6	38%	0.38	47%	0.469	S	S	.	.	H	α-helix	trans	-67.6	-35.9	175.9	-85.4	-65.8	0	0	0	112.8	E37 L38 K45	E37-N41 WeakPolarHBondContact O-CB 3.32Å; E37-N41 PolarHBondContact O-N 3.44Å; E37-N41 PolarHBondContact O-ND2 3.28Å; L38-N41 PolarHBondContact O-N 3.49Å; N41-K45 VanDerWaalsContact O-CB 3.28Å; N41-K45 WeakPolarHBondContact O-CB 3.38Å; N41-K45 WeakPolarHBondContact O-CG 3.14Å; N41-K45 PolarHBondContact O-N 2.98Å
42	K	70.9	Confident	68	Low	109 Å²	109	96.9 Å²	96.9	47%	0.474	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-45.1	171.4	-77.8	173.9	-172	169.6	0	111.1	L38 E39 K45 V46	L38-K42 WeakPolarHBondContact O-CB 3.47Å; L38-K42 VanDerWaalsContact O-CG 3.28Å; L38-K42 WeakPolarHBondContact O-CG 3.36Å; L38-K42 PolarHBondContact O-N 2.89Å; E39-K42 PolarHBondContact O-N 3.07Å; E39-K42 IonicContact OE1-NZ 3.6Å; E39-K42 PolarHBondContact OE1-NZ 3.45Å; K42-K45 PolarHBondContact O-N 3.43Å; K42-V46 WeakPolarHBondContact O-CB 3.29Å; K42-V46 VanDerWaalsContact O-CG2 3.28Å; K42-V46 WeakPolarHBondContact O-CG2 3.46Å; K42-V46 PolarHBondContact O-N 3.34Å
43	Q	67.1	Low	67.1	Low	140 Å²	140	97.3 Å²	97.3	65%	0.654	48%	0.481	S	S	*	.	H	α-helix	trans	-66.1	-41.6	178.6	-70.8	-174.4	18.9	0	0	112.3	E39 K40 V46 S47	E39-Q43 WeakPolarHBondContact O-CG 3.24Å; E39-Q43 PolarHBondContact O-N 3.24Å; K40-Q43 PolarHBondContact O-N 2.97Å; Q43-V46 PolarHBondContact O-N 3.23Å; Q43-S47 WeakPolarHBondContact O-CB 3.33Å; Q43-S47 PolarHBondContact O-N 2.93Å; Q43-S47 PolarHBondContact O-OG 3.11Å
44	L	65.7	Low	65.8	Low	101 Å²	101	99 Å²	99	53%	0.529	49%	0.486	S	S	.	.	H	α-helix	trans	-65.7	-40.6	174.3	-76.5	163.1	0	0	0	112	K40 S47 V48	K40-L44 WeakPolarHBondContact O-CB 3.48Å; K40-L44 WeakPolarHBondContact O-CG 3.41Å; K40-L44 PolarHBondContact O-N 2.81Å; L44-S47 WeakPolarHBondContact CA-OG 3.31Å; L44-S47 PolarHBondContact O-N 2.83Å; L44-S47 PolarHBondContact O-OG 3.37Å; L44-S47 VanDerWaalsContact O-OG 3.05Å; L44-V48 VanDerWaalsContact O-CB 3.31Å; L44-V48 WeakPolarHBondContact O-CB 3.22Å; L44-V48 WeakPolarHBondContact O-CG2 3.35Å; L44-V48 PolarHBondContact O-N 2.93Å
45	K	58.2	Low	65.2	Low	77 Å²	77	99.7 Å²	99.7	34%	0.335	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-45	172.4	-85.5	176.8	177.9	167	0	111.3	N41 K42 M49 E247	N41-K45 VanDerWaalsContact O-CB 3.28Å; N41-K45 WeakPolarHBondContact O-CB 3.38Å; N41-K45 WeakPolarHBondContact O-CG 3.14Å; N41-K45 PolarHBondContact O-N 2.98Å; K42-K45 PolarHBondContact O-N 3.43Å; K45-M49 WeakPolarHBondContact O-CB 3.09Å; K45-M49 PolarHBondContact O-N 2.8Å; K45-E247 IonicContact NZ-OE1 2.91Å; K45-E247 PolarHBondContact NZ-OE1 2.82Å; K45-E247 IonicContact NZ-OE2 2.72Å; K45-E247 PolarHBondContact NZ-OE2 3.48Å
46	V	68	Low	63.8	Low	71 Å²	71	98.2 Å²	98.2	43%	0.43	49%	0.494	S	S	.	.	H	α-helix	trans	-66.9	-38.3	178.7	172.1	0	0	0	0	111.5	K42 Q43 R50	K42-V46 WeakPolarHBondContact O-CB 3.29Å; K42-V46 VanDerWaalsContact O-CG2 3.28Å; K42-V46 WeakPolarHBondContact O-CG2 3.46Å; K42-V46 PolarHBondContact O-N 3.34Å; Q43-V46 PolarHBondContact O-N 3.23Å; V46-R50 VanDerWaalsContact O-CB 3.22Å; V46-R50 WeakPolarHBondContact O-CB 3.48Å; V46-R50 WeakPolarHBondContact O-CG 3.37Å; V46-R50 PolarHBondContact O-N 2.84Å
47	S	66.1	Low	62.6	Low	62 Å²	62	95.4 Å²	95.4	43%	0.434	49%	0.488	S	S	.	.	H	α-helix	trans	-72.3	-42.2	178.6	67.1	0	0	0	0	112.4	Q43 L44 R50 A51	Q43-S47 WeakPolarHBondContact O-CB 3.33Å; Q43-S47 PolarHBondContact O-N 2.93Å; Q43-S47 PolarHBondContact O-OG 3.11Å; L44-S47 WeakPolarHBondContact CA-OG 3.31Å; L44-S47 PolarHBondContact O-N 2.83Å; L44-S47 PolarHBondContact O-OG 3.37Å; L44-S47 VanDerWaalsContact O-OG 3.05Å; S47-R50 PolarHBondContact O-N 2.88Å; S47-A51 VanDerWaalsContact O-CB 3.27Å; S47-A51 WeakPolarHBondContact O-CB 3.22Å; S47-A51 PolarHBondContact O-N 2.58Å
48	V	66.6	Low	62.5	Low	79 Å²	79	98.9 Å²	98.9	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-66.9	-44.2	174.4	173.7	0	0	0	0	110.6	L44 R50 A51 Q52	L44-V48 VanDerWaalsContact O-CB 3.31Å; L44-V48 WeakPolarHBondContact O-CB 3.22Å; L44-V48 WeakPolarHBondContact O-CG2 3.35Å; L44-V48 PolarHBondContact O-N 2.93Å; V48-R50 PolarHBondContact O-N 3.5Å; V48-A51 PolarHBondContact O-N 3.1Å; V48-A51 VanDerWaalsContact O-N 3.15Å; V48-Q52 WeakPolarHBondContact O-CB 3.21Å; V48-Q52 PolarHBondContact O-N 2.87Å
49	M	56.7	Low	61.9	Low	118 Å²	118	98.1 Å²	98.1	58%	0.581	50%	0.504	S	S	*	.	H	α-helix	trans	-63.7	-41.6	176.6	-165.7	175	-121.1	0	0	110.9	K45 A51 L53	K45-M49 WeakPolarHBondContact O-CB 3.09Å; K45-M49 PolarHBondContact O-N 2.8Å; M49-A51 PolarHBondContact O-N 3.33Å; M49-L53 HydrophobicContact CG-CD1 3.41Å; M49-L53 VanDerWaalsContact CG-CD1 3.41Å; M49-L53 VanDerWaalsContact O-CB 3.29Å; M49-L53 WeakPolarHBondContact O-CB 3.17Å; M49-L53 WeakPolarHBondContact O-CD1 3.44Å; M49-L53 PolarHBondContact O-N 3.41Å
50	R	62.6	Low	60.5	Low	169 Å²	169	97.6 Å²	97.6	64%	0.638	51%	0.508	S	S	*	.	H	α-helix	trans	-65.6	-34	171.6	-83.1	-178.2	-177.1	163.5	2.7	113.2	V46 S47 V48 R54	V46-R50 VanDerWaalsContact O-CB 3.22Å; V46-R50 WeakPolarHBondContact O-CB 3.48Å; V46-R50 WeakPolarHBondContact O-CG 3.37Å; V46-R50 PolarHBondContact O-N 2.84Å; S47-R50 PolarHBondContact O-N 2.88Å; V48-R50 PolarHBondContact O-N 3.5Å; R50-R54 VanDerWaalsContact O-CB 3.27Å; R50-R54 WeakPolarHBondContact O-CB 3.19Å; R50-R54 WeakPolarHBondContact O-CG 3.31Å; R50-R54 PolarHBondContact O-N 2.71Å
51	A	65.5	Low	60.5	Low	56 Å²	56	98.8 Å²	98.8	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-74.6	-42.6	179.1	0	0	0	0	0	112.1	S47 V48 M49	S47-A51 VanDerWaalsContact O-CB 3.27Å; S47-A51 WeakPolarHBondContact O-CB 3.22Å; S47-A51 PolarHBondContact O-N 2.58Å; V48-A51 PolarHBondContact O-N 3.1Å; V48-A51 VanDerWaalsContact O-N 3.15Å; M49-A51 PolarHBondContact O-N 3.33Å
52	Q	55.9	Low	60.8	Low	148 Å²	148	98.8 Å²	98.8	69%	0.692	51%	0.513	S	S	*	.	H	α-helix	trans	-76.1	-34.2	-178.1	-127.2	82.6	-0.6	0	0	113.2	V48 P55	V48-Q52 WeakPolarHBondContact O-CB 3.21Å; V48-Q52 PolarHBondContact O-N 2.87Å; Q52-P55 WeakPolarHBondContact O-CD 3.48Å
53	L	53.8	Low	60.8	Low	85 Å²	85	97.3 Å²	97.3	45%	0.445	51%	0.511	S	S	.	.	H	α-helix	trans	-88.7	-12.2	179.8	-77.1	145.4	0	0	0	113.7	M49 P55 S56 A57	M49-L53 HydrophobicContact CG-CD1 3.41Å; M49-L53 VanDerWaalsContact CG-CD1 3.41Å; M49-L53 VanDerWaalsContact O-CB 3.29Å; M49-L53 WeakPolarHBondContact O-CB 3.17Å; M49-L53 WeakPolarHBondContact O-CD1 3.44Å; M49-L53 PolarHBondContact O-N 3.41Å; L53-P55 VanDerWaalsContact C-CD 3.48Å; L53-S56 PolarHBondContact O-N 3.08Å; L53-A57 WeakPolarHBondContact O-CB 3.32Å; L53-A57 PolarHBondContact O-N 3.26Å
54	R	46.1	Very low	60.7	Low	177 Å²	177	95.2 Å²	95.2	67%	0.668	50%	0.503	S	S	*	.	H	α-helix	trans	-54.3	-43.7	179.6	-110.6	-177.9	-141.7	167.4	4.3	113.7	R50 F58	R50-R54 VanDerWaalsContact O-CB 3.27Å; R50-R54 WeakPolarHBondContact O-CB 3.19Å; R50-R54 WeakPolarHBondContact O-CG 3.31Å; R50-R54 PolarHBondContact O-N 2.71Å; R54-F58 WeakPolarHBondContact O-CB 3.18Å; R54-F58 PolarHBondContact O-N 3.29Å
55	P	56.8	Low	61.5	Low	96 Å²	96	97 Å²	97	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-69.5	-40.2	-175.3	-18.7	32	0	0	0	113.2	Q52 L53	Q52-P55 WeakPolarHBondContact O-CD 3.48Å; L53-P55 VanDerWaalsContact C-CD 3.48Å
56	S	46.1	Very low	62.5	Low	75 Å²	75	100.4 Å²	100.4	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-88	-35.6	-175.3	54.6	0	0	0	0	113.4	L53 C60	L53-S56 PolarHBondContact O-N 3.08Å; S56-C60 WeakPolarHBondContact O-CB 3.38Å; S56-C60 PolarHBondContact O-N 3.48Å; S56-C60 VanDerWaalsContact O-N 3.1Å
57	A	54.7	Low	62.8	Low	46 Å²	46	102 Å²	102	38%	0.38	52%	0.523	S	S	.	.	H	α-helix	trans	-71.2	-35.1	175.3	0	0	0	0	0	111.9	L53 C60 Q61	L53-A57 WeakPolarHBondContact O-CB 3.32Å; L53-A57 PolarHBondContact O-N 3.26Å; A57-C60 PolarHBondContact O-N 2.79Å; A57-Q61 WeakPolarHBondContact O-CB 3.45Å; A57-Q61 PolarHBondContact O-N 3.09Å
58	F	66.4	Low	63.4	Low	138 Å²	138	105.6 Å²	105.6	61%	0.605	53%	0.531	S	S	*	.	H	α-helix	trans	-64.6	-46	176	-171.8	-94.6	0	0	0	111.3	R54 Q61 E62	R54-F58 WeakPolarHBondContact O-CB 3.18Å; R54-F58 PolarHBondContact O-N 3.29Å; F58-Q61 PolarHBondContact O-N 2.77Å; F58-E62 VanDerWaalsContact CE1-OE2 3.26Å; F58-E62 WeakPolarHBondContact CE1-OE2 3.49Å; F58-E62 VanDerWaalsContact O-CB 3.28Å; F58-E62 WeakPolarHBondContact O-CB 3.2Å; F58-E62 PolarHBondContact O-N 2.83Å
59	C	54.8	Low	64.4	Low	67 Å²	67	104.6 Å²	104.6	45%	0.453	53%	0.531	S	S	.	.	H	α-helix	trans	-61.5	-46	175.9	-177.9	0	0	0	0	112.2	E62 N63	C59-E62 PolarHBondContact O-N 3.06Å; C59-N63 WeakPolarHBondContact O-CB 3.3Å; C59-N63 PolarHBondContact O-N 3.05Å; C59-N63 PolarHBondContact O-ND2 3.47Å
60	C	47.5	Very low	65.4	Low	73 Å²	73	104.7 Å²	104.7	49%	0.493	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-41.2	179	-168.3	0	0	0	0	112.1	S56 A57 N63 L64	S56-C60 WeakPolarHBondContact O-CB 3.38Å; S56-C60 PolarHBondContact O-N 3.48Å; S56-C60 VanDerWaalsContact O-N 3.1Å; A57-C60 PolarHBondContact O-N 2.79Å; C60-N63 PolarHBondContact O-N 3.4Å; C60-L64 WeakPolarHBondContact O-CB 3.42Å; C60-L64 PolarHBondContact O-N 2.87Å
61	Q	71.8	Confident	66.1	Low	116 Å²	116	100.2 Å²	100.2	54%	0.542	52%	0.521	S	S	.	.	H	α-helix	trans	-70.3	-33.4	178.4	-164.3	171.7	17.8	0	0	112.2	A57 F58 K65	A57-Q61 WeakPolarHBondContact O-CB 3.45Å; A57-Q61 PolarHBondContact O-N 3.09Å; F58-Q61 PolarHBondContact O-N 2.77Å; Q61-K65 WeakPolarHBondContact O-CB 3.49Å; Q61-K65 VanDerWaalsContact O-CG 3.25Å; Q61-K65 WeakPolarHBondContact O-CG 3.12Å; Q61-K65 PolarHBondContact O-N 2.9Å
62	E	75.4	Confident	66.9	Low	72 Å²	72	101.7 Å²	101.7	34%	0.336	52%	0.522	S	S	.	.	H	α-helix	trans	-69.9	-42.6	174.1	-159.3	-179.1	158.8	0	0	111.4	F58 C59 K65 R66	F58-E62 VanDerWaalsContact CE1-OE2 3.26Å; F58-E62 WeakPolarHBondContact CE1-OE2 3.49Å; F58-E62 VanDerWaalsContact O-CB 3.28Å; F58-E62 WeakPolarHBondContact O-CB 3.2Å; F58-E62 PolarHBondContact O-N 2.83Å; C59-E62 PolarHBondContact O-N 3.06Å; E62-K65 PolarHBondContact O-N 3.23Å; E62-R66 WeakPolarHBondContact O-CG 3.32Å; E62-R66 PolarHBondContact O-N 3.47Å; E62-R66 IonicContact OE1-CZ 2.56Å; E62-R66 IonicContact OE1-NE 3.57Å; E62-R66 IonicContact OE1-NH2 3.65Å; E62-R66 PolarHBondContact OE1-NH2 3.42Å
63	N	70.3	Confident	68.1	Low	78 Å²	78	104.1 Å²	104.1	42%	0.417	52%	0.524	S	S	.	.	H	α-helix	trans	-64.8	-41.7	174.3	-72.4	-29.2	0	0	0	112.2	C59 C60 K65 R66 L67	C59-N63 WeakPolarHBondContact O-CB 3.3Å; C59-N63 PolarHBondContact O-N 3.05Å; C59-N63 PolarHBondContact O-ND2 3.47Å; C60-N63 PolarHBondContact O-N 3.4Å; N63-K65 VanDerWaalsContact C-N 3.34Å; N63-K65 PolarHBondContact O-N 3.25Å; N63-R66 PolarHBondContact O-N 3.11Å; N63-L67 WeakPolarHBondContact O-CB 3.01Å; N63-L67 WeakPolarHBondContact O-CG 3.4Å; N63-L67 PolarHBondContact O-N 2.9Å
64	L	64.8	Low	69.1	Low	96 Å²	96	104.8 Å²	104.8	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-63	-38.8	173.4	-94.1	160.4	0	0	0	112.3	C60 K68	C60-L64 WeakPolarHBondContact O-CB 3.42Å; C60-L64 PolarHBondContact O-N 2.87Å; L64-K68 WeakPolarHBondContact O-CB 3.45Å; L64-K68 WeakPolarHBondContact O-CG 3.29Å; L64-K68 PolarHBondContact O-N 3.26Å
65	K	82.6	Confident	70.2	Confident	138 Å²	138	100.2 Å²	100.2	60%	0.6	51%	0.514	S	S	*	.	H	α-helix	trans	-67.7	-40.9	174.5	-78.6	177.5	180	-178.1	0	111.9	Q61 E62 N63 K68 A69	Q61-K65 WeakPolarHBondContact O-CB 3.49Å; Q61-K65 VanDerWaalsContact O-CG 3.25Å; Q61-K65 WeakPolarHBondContact O-CG 3.12Å; Q61-K65 PolarHBondContact O-N 2.9Å; E62-K65 PolarHBondContact O-N 3.23Å; N63-K65 VanDerWaalsContact C-N 3.34Å; N63-K65 PolarHBondContact O-N 3.25Å; K65-K68 PolarHBondContact O-N 2.71Å; K65-A69 VanDerWaalsContact O-CB 3.24Å; K65-A69 WeakPolarHBondContact O-CB 3.12Å; K65-A69 PolarHBondContact O-N 2.74Å
66	R	80.2	Confident	71.1	Confident	149 Å²	149	102.3 Å²	102.3	56%	0.562	52%	0.516	S	S	*	.	H	α-helix	trans	-63.5	-45.5	174.2	-74.7	-176.8	-170.5	-174.1	6.2	111.3	E62 N63 A69 E70	E62-R66 WeakPolarHBondContact O-CG 3.32Å; E62-R66 PolarHBondContact O-N 3.47Å; E62-R66 IonicContact OE1-CZ 2.56Å; E62-R66 IonicContact OE1-NE 3.57Å; E62-R66 IonicContact OE1-NH2 3.65Å; E62-R66 PolarHBondContact OE1-NH2 3.42Å; N63-R66 PolarHBondContact O-N 3.11Å; R66-A69 PolarHBondContact O-N 3.11Å; R66-E70 WeakPolarHBondContact O-CB 3.3Å; R66-E70 WeakPolarHBondContact O-CG 3.18Å; R66-E70 PolarHBondContact O-N 3.41Å
67	L	73.4	Confident	72.6	Confident	103 Å²	103	100.9 Å²	100.9	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-63.6	-41.1	176.3	-74.9	171.1	0	0	0	112.2	N63 T71	N63-L67 WeakPolarHBondContact O-CB 3.01Å; N63-L67 WeakPolarHBondContact O-CG 3.4Å; N63-L67 PolarHBondContact O-N 2.9Å; L67-T71 VanDerWaalsContact O-CB 3.3Å; L67-T71 WeakPolarHBondContact O-CB 3.38Å; L67-T71 PolarHBondContact O-N 3.23Å; L67-T71 PolarHBondContact O-OG1 3.21Å
68	K	80.4	Confident	73.8	Confident	138 Å²	138	106 Å²	106	60%	0.6	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-45.4	172.8	-79.3	-175.6	176.5	-175	0	111.9	L64 K65 E70 T71 D72	L64-K68 WeakPolarHBondContact O-CB 3.45Å; L64-K68 WeakPolarHBondContact O-CG 3.29Å; L64-K68 PolarHBondContact O-N 3.26Å; K65-K68 PolarHBondContact O-N 2.71Å; K68-E70 VanDerWaalsContact C-N 3.34Å; K68-E70 PolarHBondContact O-N 3.42Å; K68-T71 PolarHBondContact O-N 3.43Å; K68-D72 WeakPolarHBondContact O-CB 3.22Å; K68-D72 PolarHBondContact O-N 3.25Å
69	A	86.5	Confident	74.3	Confident	58 Å²	58	104.1 Å²	104.1	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-36.7	177.8	0	0	0	0	0	112.6	K65 R66 R73	K65-A69 VanDerWaalsContact O-CB 3.24Å; K65-A69 WeakPolarHBondContact O-CB 3.12Å; K65-A69 PolarHBondContact O-N 2.74Å; R66-A69 PolarHBondContact O-N 3.11Å; A69-R73 WeakPolarHBondContact O-CB 3.35Å; A69-R73 PolarHBondContact O-N 2.99Å
70	E	79	Confident	75	Confident	121 Å²	121	103.9 Å²	103.9	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-69.7	-39.6	172.6	-78.5	-170	167.3	0	0	111.6	R66 K68 R73 L74	R66-E70 WeakPolarHBondContact O-CB 3.3Å; R66-E70 WeakPolarHBondContact O-CG 3.18Å; R66-E70 PolarHBondContact O-N 3.41Å; K68-E70 VanDerWaalsContact C-N 3.34Å; K68-E70 PolarHBondContact O-N 3.42Å; E70-R73 PolarHBondContact O-N 3.42Å; E70-L74 WeakPolarHBondContact O-CB 3.31Å; E70-L74 WeakPolarHBondContact O-CG 3.42Å; E70-L74 PolarHBondContact O-N 2.83Å
71	T	75.8	Confident	76.6	Confident	74 Å²	74	105.9 Å²	105.9	45%	0.454	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-46	174.5	-54.8	0	0	0	0	110.8	L67 K68 R73 L74 E75	L67-T71 VanDerWaalsContact O-CB 3.3Å; L67-T71 WeakPolarHBondContact O-CB 3.38Å; L67-T71 PolarHBondContact O-N 3.23Å; L67-T71 PolarHBondContact O-OG1 3.21Å; K68-T71 PolarHBondContact O-N 3.43Å; T71-R73 PolarHBondContact O-N 3.37Å; T71-L74 PolarHBondContact O-N 3.5Å; T71-E75 WeakPolarHBondContact O-CG 3.5Å; T71-E75 PolarHBondContact O-N 2.86Å
72	D	82.4	Confident	77	Confident	88 Å²	88	106.1 Å²	106.1	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-40.2	177.2	-68.3	-19.1	0	0	0	111.2	K68 L74 E75 Q76	K68-D72 WeakPolarHBondContact O-CB 3.22Å; K68-D72 PolarHBondContact O-N 3.25Å; D72-L74 VanDerWaalsContact C-N 3.33Å; D72-L74 PolarHBondContact O-N 3.18Å; D72-E75 PolarHBondContact O-N 3.33Å; D72-Q76 WeakPolarHBondContact O-CB 3.49Å; D72-Q76 VanDerWaalsContact O-CG 3.31Å; D72-Q76 WeakPolarHBondContact O-CG 3.46Å; D72-Q76 PolarHBondContact O-N 3.3Å
73	R	81.6	Confident	77.1	Confident	198 Å²	198	104.3 Å²	104.3	75%	0.747	51%	0.514	S	S	*	.	H	α-helix	trans	-63.8	-38.5	174	179.2	-179.4	162.2	145.1	-0.8	111.6	A69 E70 T71 S77	A69-R73 WeakPolarHBondContact O-CB 3.35Å; A69-R73 PolarHBondContact O-N 2.99Å; E70-R73 PolarHBondContact O-N 3.42Å; T71-R73 PolarHBondContact O-N 3.37Å; R73-S77 PolarHBondContact O-N 2.89Å
74	L	73.6	Confident	77.1	Confident	99 Å²	99	106.8 Å²	106.8	52%	0.518	52%	0.518	S	S	.	.	H	α-helix	trans	-70.6	-39.2	176.2	-73.7	170.6	0	0	0	111.4	E70 T71 D72 Q76 S77 L80	E70-L74 WeakPolarHBondContact O-CB 3.31Å; E70-L74 WeakPolarHBondContact O-CG 3.42Å; E70-L74 PolarHBondContact O-N 2.83Å; T71-L74 PolarHBondContact O-N 3.5Å; D72-L74 VanDerWaalsContact C-N 3.33Å; D72-L74 PolarHBondContact O-N 3.18Å; L74-Q76 VanDerWaalsContact C-N 3.3Å; L74-Q76 PolarHBondContact O-N 3.33Å; L74-S77 WeakPolarHBondContact O-CB 3.22Å; L74-S77 PolarHBondContact O-N 3.38Å; L74-L80 HydrophobicContact CB-CD1 3.79Å; L74-L80 HydrophobicContact CD2-CD1 4.36Å; L74-L80 VanDerWaalsContact O-CB 3.3Å; L74-L80 WeakPolarHBondContact O-CB 3.14Å; L74-L80 WeakPolarHBondContact O-CD1 3.4Å
75	E	70.8	Confident	77.9	Confident	81 Å²	81	107.7 Å²	107.7	38%	0.379	52%	0.523	S	S	.	.	H	α-helix	trans	-66	-30.2	174.1	-73	-157.3	143.8	0	0	113.2	T71 D72 K81 R84	T71-E75 WeakPolarHBondContact O-CG 3.5Å; T71-E75 PolarHBondContact O-N 2.86Å; D72-E75 PolarHBondContact O-N 3.33Å; E75-K81 WeakPolarHBondContact O-CE 3.43Å; E75-R84 IonicContact OE1-CZ 3.93Å; E75-R84 IonicContact OE1-NH1 3.38Å; E75-R84 PolarHBondContact OE1-NH1 3.04Å; E75-R84 IonicContact OE1-NH2 3.37Å; E75-R84 PolarHBondContact OE1-NH2 2.81Å
76	Q	74.8	Confident	77.7	Confident	141 Å²	141	106 Å²	106	66%	0.659	52%	0.515	S	S	*	.	H	α-helix	trans	-79.7	-19.4	175.8	-72.2	179.1	10.6	0	0	113.7	D72 L74 E78	D72-Q76 WeakPolarHBondContact O-CB 3.49Å; D72-Q76 VanDerWaalsContact O-CG 3.31Å; D72-Q76 WeakPolarHBondContact O-CG 3.46Å; D72-Q76 PolarHBondContact O-N 3.3Å; L74-Q76 VanDerWaalsContact C-N 3.3Å; L74-Q76 PolarHBondContact O-N 3.33Å; Q76-E78 PolarHBondContact O-N 3.41Å
77	S	77.2	Confident	77.5	Confident	45 Å²	45	105.6 Å²	105.6	32%	0.315	52%	0.518	S	S	.	.	S	Bend	trans	-59.8	124	177.6	-172.9	0	0	0	0	110.2	R73 L74 T79 L80 K81	R73-S77 PolarHBondContact O-N 2.89Å; L74-S77 WeakPolarHBondContact O-CB 3.22Å; L74-S77 PolarHBondContact O-N 3.38Å; S77-T79 PolarHBondContact O-N 2.74Å; S77-T79 VanDerWaalsContact O-N 3.07Å; S77-T79 PolarHBondContact OG-OG1 2.76Å; S77-L80 PolarHBondContact O-N 2.75Å; S77-K81 PolarHBondContact O-N 2.7Å
78	E	80	Confident	77.6	Confident	154 Å²	154	104.6 Å²	104.6	72%	0.72	51%	0.513	S	S	*	.	H	α-helix	trans	-54.7	-31.3	-179.5	-69.2	-175.5	153.9	0	0	112.1	Q76 L80 K81 Q82	Q76-E78 PolarHBondContact O-N 3.41Å; E78-L80 PolarHBondContact O-N 3.21Å; E78-K81 PolarHBondContact O-N 3.31Å; E78-Q82 WeakPolarHBondContact O-CB 3.45Å; E78-Q82 WeakPolarHBondContact O-CG 3.06Å; E78-Q82 PolarHBondContact O-N 3.4Å
79	T	76.6	Confident	77.4	Confident	97 Å²	97	103.1 Å²	103.1	60%	0.595	51%	0.511	S	S	*	.	H	α-helix	trans	-62.8	-40.4	176.3	55.8	0	0	0	0	113	S77 A83	S77-T79 PolarHBondContact O-N 2.74Å; S77-T79 VanDerWaalsContact O-N 3.07Å; S77-T79 PolarHBondContact OG-OG1 2.76Å; T79-A83 WeakPolarHBondContact O-CB 3.33Å; T79-A83 PolarHBondContact O-N 2.89Å
80	L	71.1	Confident	76.4	Confident	62 Å²	62	104.1 Å²	104.1	33%	0.325	51%	0.507	S	S	.	.	H	α-helix	trans	-78.1	-34.9	-179.3	-114.2	161.7	0	0	0	111.4	L74 S77 E78 A83 R84	L74-L80 HydrophobicContact CB-CD1 3.79Å; L74-L80 HydrophobicContact CD2-CD1 4.36Å; L74-L80 VanDerWaalsContact O-CB 3.3Å; L74-L80 WeakPolarHBondContact O-CB 3.14Å; L74-L80 WeakPolarHBondContact O-CD1 3.4Å; S77-L80 PolarHBondContact O-N 2.75Å; E78-L80 PolarHBondContact O-N 3.21Å; L80-A83 PolarHBondContact O-N 3.46Å; L80-R84 WeakPolarHBondContact O-CB 3.41Å; L80-R84 PolarHBondContact O-N 3.25Å
81	K	79.6	Confident	75.3	Confident	116 Å²	116	104.3 Å²	104.3	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-63	-45.1	170.5	-73.3	-177.1	179.9	173.1	0	111.8	E75 S77 E78 A83 R84 L85	E75-K81 WeakPolarHBondContact O-CE 3.43Å; S77-K81 PolarHBondContact O-N 2.7Å; E78-K81 PolarHBondContact O-N 3.31Å; K81-A83 VanDerWaalsContact C-N 3.34Å; K81-R84 PolarHBondContact O-N 3.48Å; K81-L85 WeakPolarHBondContact O-CB 3.24Å; K81-L85 VanDerWaalsContact O-CG 3.25Å; K81-L85 WeakPolarHBondContact O-CG 3.41Å; K81-L85 PolarHBondContact O-N 2.75Å
82	Q	80.8	Confident	75.1	Confident	121 Å²	121	107.2 Å²	107.2	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-65.5	-38.2	175.4	-74	-177.3	-5.5	0	0	111.9	E78 K86	E78-Q82 WeakPolarHBondContact O-CB 3.45Å; E78-Q82 WeakPolarHBondContact O-CG 3.06Å; E78-Q82 PolarHBondContact O-N 3.4Å; Q82-K86 WeakPolarHBondContact O-CB 3.19Å; Q82-K86 WeakPolarHBondContact O-CG 3.3Å; Q82-K86 PolarHBondContact O-N 2.86Å
83	A	78.6	Confident	73.9	Confident	34 Å²	34	109.3 Å²	109.3	28%	0.281	52%	0.524	S	S	.	.	H	α-helix	trans	-63.2	-48	174.2	0	0	0	0	0	111.5	T79 L80 K81 K86 F87	T79-A83 WeakPolarHBondContact O-CB 3.33Å; T79-A83 PolarHBondContact O-N 2.89Å; L80-A83 PolarHBondContact O-N 3.46Å; K81-A83 VanDerWaalsContact C-N 3.34Å; A83-K86 PolarHBondContact O-N 3.45Å; A83-F87 WeakPolarHBondContact O-CD2 3.46Å; A83-F87 PolarHBondContact O-N 3.29Å
84	R	69.6	Low	72.6	Confident	129 Å²	129	103.2 Å²	103.2	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-44.7	175.3	-76.7	-168.2	-177.1	176.8	7.8	112	E75 L80 K81 K86 F87 D88	E75-R84 IonicContact OE1-CZ 3.93Å; E75-R84 IonicContact OE1-NH1 3.38Å; E75-R84 PolarHBondContact OE1-NH1 3.04Å; E75-R84 IonicContact OE1-NH2 3.37Å; E75-R84 PolarHBondContact OE1-NH2 2.81Å; L80-R84 WeakPolarHBondContact O-CB 3.41Å; L80-R84 PolarHBondContact O-N 3.25Å; K81-R84 PolarHBondContact O-N 3.48Å; R84-K86 VanDerWaalsContact C-N 3.28Å; R84-K86 PolarHBondContact O-N 3.27Å; R84-F87 CarbonylContact O-C 3.49Å; R84-F87 PolarHBondContact O-N 3.01Å; R84-F87 VanDerWaalsContact O-N 3.11Å; R84-D88 WeakPolarHBondContact O-CB 3.38Å; R84-D88 PolarHBondContact O-N 2.95Å
85	L	80.9	Confident	71.7	Confident	116 Å²	116	103.3 Å²	103.3	61%	0.607	51%	0.513	S	S	*	.	H	α-helix	trans	-58.8	-40.5	175.2	-75.6	167.9	0	0	0	111.8	K81 L89	K81-L85 WeakPolarHBondContact O-CB 3.24Å; K81-L85 VanDerWaalsContact O-CG 3.25Å; K81-L85 WeakPolarHBondContact O-CG 3.41Å; K81-L85 PolarHBondContact O-N 2.75Å; L85-L89 VanDerWaalsContact O-CB 3.3Å; L85-L89 WeakPolarHBondContact O-CB 3.36Å; L85-L89 PolarHBondContact O-N 3.37Å
86	K	79.8	Confident	70.8	Confident	101 Å²	101	107.4 Å²	107.4	44%	0.439	53%	0.529	S	S	.	.	H	α-helix	trans	-67.6	-41.5	173.9	-75.2	-176.1	178	-169.7	0	111.9	Q82 A83 R84 L89 I90	Q82-K86 WeakPolarHBondContact O-CB 3.19Å; Q82-K86 WeakPolarHBondContact O-CG 3.3Å; Q82-K86 PolarHBondContact O-N 2.86Å; A83-K86 PolarHBondContact O-N 3.45Å; R84-K86 VanDerWaalsContact C-N 3.28Å; R84-K86 PolarHBondContact O-N 3.27Å; K86-L89 PolarHBondContact O-N 2.94Å; K86-I90 WeakPolarHBondContact O-CB 3.45Å; K86-I90 WeakPolarHBondContact O-CD1 3.4Å; K86-I90 WeakPolarHBondContact O-CG1 3.34Å; K86-I90 PolarHBondContact O-N 3.14Å
87	F	75	Confident	69.4	Low	141 Å²	141	102.7 Å²	102.7	62%	0.618	51%	0.512	S	S	*	.	H	α-helix	trans	-65	-42.1	176	-85.6	-68.7	0	0	0	112.2	A83 R84 I90 E91	A83-F87 WeakPolarHBondContact O-CD2 3.46Å; A83-F87 PolarHBondContact O-N 3.29Å; R84-F87 CarbonylContact O-C 3.49Å; R84-F87 PolarHBondContact O-N 3.01Å; R84-F87 VanDerWaalsContact O-N 3.11Å; F87-I90 CarbonylContact O-C 3.54Å; F87-I90 PolarHBondContact O-N 3.42Å; F87-E91 WeakPolarHBondContact O-CB 3.36Å; F87-E91 PolarHBondContact O-N 3.19Å
88	D	75.9	Confident	68	Low	82 Å²	82	103 Å²	103	44%	0.439	52%	0.515	S	S	.	.	H	α-helix	trans	-66.1	-39.7	176.1	-74.1	-12.9	0	0	0	111.2	R84 I90 E91 Q92	R84-D88 WeakPolarHBondContact O-CB 3.38Å; R84-D88 PolarHBondContact O-N 2.95Å; D88-I90 VanDerWaalsContact C-N 3.35Å; D88-E91 PolarHBondContact O-N 2.86Å; D88-Q92 WeakPolarHBondContact O-CB 3.46Å; D88-Q92 WeakPolarHBondContact O-CG 2.92Å; D88-Q92 PolarHBondContact O-N 3.48Å
89	L	76.6	Confident	66.6	Low	108 Å²	108	103 Å²	103	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-63.2	-44.6	174	-158.2	96.9	0	0	0	110.4	L85 K86 Q92 E93	L85-L89 VanDerWaalsContact O-CB 3.3Å; L85-L89 WeakPolarHBondContact O-CB 3.36Å; L85-L89 PolarHBondContact O-N 3.37Å; K86-L89 PolarHBondContact O-N 2.94Å; L89-Q92 PolarHBondContact O-N 3.18Å; L89-E93 WeakPolarHBondContact O-CB 3.47Å; L89-E93 WeakPolarHBondContact O-CG 3.25Å; L89-E93 PolarHBondContact O-N 3.41Å
90	I	65.1	Low	65.2	Low	78 Å²	78	107.8 Å²	107.8	40%	0.4	52%	0.522	S	S	.	.	H	α-helix	trans	-65	-40.8	176.3	-69.3	164.9	0	0	0	110.5	K86 F87 D88 E93 T94	K86-I90 WeakPolarHBondContact O-CB 3.45Å; K86-I90 WeakPolarHBondContact O-CD1 3.4Å; K86-I90 WeakPolarHBondContact O-CG1 3.34Å; K86-I90 PolarHBondContact O-N 3.14Å; F87-I90 CarbonylContact O-C 3.54Å; F87-I90 PolarHBondContact O-N 3.42Å; D88-I90 VanDerWaalsContact C-N 3.35Å; I90-E93 PolarHBondContact O-N 2.92Å; I90-T94 HydrophobicContact CG2-CG2 4.03Å; I90-T94 WeakPolarHBondContact O-CA 3.48Å; I90-T94 VanDerWaalsContact O-CB 3.24Å; I90-T94 WeakPolarHBondContact O-CB 3.4Å; I90-T94 WeakPolarHBondContact O-CG2 3.4Å; I90-T94 PolarHBondContact O-N 3.21Å; I90-T94 PolarHBondContact O-OG1 2.74Å
91	E	55.2	Low	64.1	Low	126 Å²	126	109.3 Å²	109.3	59%	0.589	53%	0.529	S	S	*	.	H	α-helix	trans	-64.3	-45.3	175.9	-91.2	-160.9	160.3	0	0	111.5	F87 D88 E93 T94 V95	F87-E91 WeakPolarHBondContact O-CB 3.36Å; F87-E91 PolarHBondContact O-N 3.19Å; D88-E91 PolarHBondContact O-N 2.86Å; E91-E93 VanDerWaalsContact C-N 3.3Å; E91-E93 PolarHBondContact O-N 2.79Å; E91-T94 VanDerWaalsContact CA-OG1 3.3Å; E91-T94 WeakPolarHBondContact CA-OG1 3.32Å; E91-T94 PolarHBondContact O-N 3Å; E91-T94 PolarHBondContact O-OG1 3.05Å; E91-V95 WeakPolarHBondContact O-CB 3.38Å; E91-V95 WeakPolarHBondContact O-CG2 3.45Å; E91-V95 PolarHBondContact O-N 2.81Å
92	Q	71.5	Confident	62.5	Low	134 Å²	134	109.7 Å²	109.7	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-64.9	-36	178.6	-71.9	-177.8	17.3	0	0	112.3	D88 L89 K96	D88-Q92 WeakPolarHBondContact O-CB 3.46Å; D88-Q92 WeakPolarHBondContact O-CG 2.92Å; D88-Q92 PolarHBondContact O-N 3.48Å; L89-Q92 PolarHBondContact O-N 3.18Å; Q92-K96 PolarHBondContact O-N 2.85Å
93	E	57.6	Low	61.1	Low	132 Å²	132	110.9 Å²	110.9	62%	0.617	54%	0.539	S	S	*	.	H	α-helix	trans	-79.1	-31.6	174.9	-69.2	-161.8	163.1	0	0	113.1	L89 I90 E91 S97	L89-E93 WeakPolarHBondContact O-CB 3.47Å; L89-E93 WeakPolarHBondContact O-CG 3.25Å; L89-E93 PolarHBondContact O-N 3.41Å; I90-E93 PolarHBondContact O-N 2.92Å; E91-E93 VanDerWaalsContact C-N 3.3Å; E91-E93 PolarHBondContact O-N 2.79Å; E93-S97 WeakPolarHBondContact O-CB 3.37Å; E93-S97 PolarHBondContact O-N 2.78Å; E93-S97 PolarHBondContact O-OG 2.94Å
94	T	55.1	Low	59.7	Low	71 Å²	71	118.4 Å²	118.4	44%	0.436	56%	0.56	S	S	.	*	H	α-helix	trans	-77.1	-32.4	176.1	46.2	0	0	0	0	112.3	I90 E91 S97 S98	I90-T94 HydrophobicContact CG2-CG2 4.03Å; I90-T94 WeakPolarHBondContact O-CA 3.48Å; I90-T94 VanDerWaalsContact O-CB 3.24Å; I90-T94 WeakPolarHBondContact O-CB 3.4Å; I90-T94 WeakPolarHBondContact O-CG2 3.4Å; I90-T94 PolarHBondContact O-N 3.21Å; I90-T94 PolarHBondContact O-OG1 2.74Å; E91-T94 VanDerWaalsContact CA-OG1 3.3Å; E91-T94 WeakPolarHBondContact CA-OG1 3.32Å; E91-T94 PolarHBondContact O-N 3Å; E91-T94 PolarHBondContact O-OG1 3.05Å; T94-S97 WeakPolarHBondContact CA-OG 3.23Å; T94-S97 PolarHBondContact O-OG 3.43Å; T94-S98 WeakPolarHBondContact O-CA 3.05Å; T94-S98 WeakPolarHBondContact O-CB 3.15Å; T94-S98 PolarHBondContact O-N 3.38Å
95	V	53.5	Low	58.4	Low	100 Å²	100	117.5 Å²	117.5	61%	0.606	56%	0.564	S	S	*	*	H	α-helix	trans	-70	-42.4	173.1	176.8	0	0	0	0	110.6	E91	E91-V95 WeakPolarHBondContact O-CB 3.38Å; E91-V95 WeakPolarHBondContact O-CG2 3.45Å; E91-V95 PolarHBondContact O-N 2.81Å
96	K	53.3	Low	56.9	Low	167 Å²	167	117.5 Å²	117.5	73%	0.726	56%	0.564	S	S	*	*	H	α-helix	trans	-72.1	-30.5	175.7	-74.7	-177.7	-179.8	173.9	0	113.5	Q92	Q92-K96 PolarHBondContact O-N 2.85Å
97	S	45.4	Very low	55.4	Low	43 Å²	43	119.2 Å²	119.2	30%	0.301	57%	0.574	S	S	.	*	H	α-helix	trans	-82.8	-26.7	175	72.2	0	0	0	0	112.6	E93 T94 E99 R100 L101	E93-S97 WeakPolarHBondContact O-CB 3.37Å; E93-S97 PolarHBondContact O-N 2.78Å; E93-S97 PolarHBondContact O-OG 2.94Å; T94-S97 WeakPolarHBondContact CA-OG 3.23Å; T94-S97 PolarHBondContact O-OG 3.43Å; S97-E99 PolarHBondContact O-N 2.88Å; S97-R100 PolarHBondContact O-N 2.93Å; S97-L101 WeakPolarHBondContact O-CA 3.28Å; S97-L101 WeakPolarHBondContact O-CB 3.26Å; S97-L101 VanDerWaalsContact O-CG 3.29Å; S97-L101 WeakPolarHBondContact O-CG 3.44Å; S97-L101 PolarHBondContact O-N 3.45Å
98	S	47.4	Very low	54.2	Low	52 Å²	52	117.6 Å²	117.6	36%	0.364	57%	0.571	S	S	.	*	H	α-helix	trans	-57.5	-46.8	-179.6	172	0	0	0	0	112.5	T94 R100 L101 Q102	T94-S98 WeakPolarHBondContact O-CA 3.05Å; T94-S98 WeakPolarHBondContact O-CB 3.15Å; T94-S98 PolarHBondContact O-N 3.38Å; S98-R100 PolarHBondContact O-N 3.04Å; S98-L101 PolarHBondContact O-N 3.26Å; S98-Q102 WeakPolarHBondContact O-CB 3.1Å; S98-Q102 WeakPolarHBondContact O-CG 3.04Å; S98-Q102 PolarHBondContact O-N 2.84Å
99	E	49.3	Very low	52.6	Low	153 Å²	153	119 Å²	119	72%	0.715	58%	0.575	S	S	*	*	H	α-helix	trans	-66.3	-36.6	179.6	-69.2	-174.3	160.1	0	0	112.6	S97	S97-E99 PolarHBondContact O-N 2.88Å
100	R	47.8	Very low	51.3	Low	198 Å²	198	117.4 Å²	117.4	75%	0.747	57%	0.573	S	S	*	*	H	α-helix	trans	-82.5	-31.1	179.9	-67.7	-177.8	178	174.4	-0.1	112.6	S97 S98 R104	S97-R100 PolarHBondContact O-N 2.93Å; S98-R100 PolarHBondContact O-N 3.04Å; R100-R104 WeakPolarHBondContact O-CB 3.33Å; R100-R104 VanDerWaalsContact O-CG 3.29Å; R100-R104 WeakPolarHBondContact O-CG 3.47Å; R100-R104 PolarHBondContact O-N 2.9Å; R100-R104 VanDerWaalsContact O-N 3.1Å
101	L	48.8	Very low	50.6	Low	93 Å²	93	121.9 Å²	121.9	49%	0.487	59%	0.586	S	S	.	*	H	α-helix	trans	-73.5	-38	175.7	-80.1	168.6	0	0	0	110.8	S97 S98 Q103 R104 L105	S97-L101 WeakPolarHBondContact O-CA 3.28Å; S97-L101 WeakPolarHBondContact O-CB 3.26Å; S97-L101 VanDerWaalsContact O-CG 3.29Å; S97-L101 WeakPolarHBondContact O-CG 3.44Å; S97-L101 PolarHBondContact O-N 3.45Å; S98-L101 PolarHBondContact O-N 3.26Å; L101-Q103 PolarHBondContact O-N 3.46Å; L101-R104 PolarHBondContact O-N 2.89Å; L101-L105 WeakPolarHBondContact O-CB 3.44Å; L101-L105 PolarHBondContact O-N 3.29Å
102	Q	44.7	Very low	50.4	Low	125 Å²	125	120.2 Å²	120.2	58%	0.584	58%	0.58	S	S	*	*	H	α-helix	trans	-61.7	-43.2	173.9	-79	-174.2	-9.7	0	0	111.8	S98 L105 L106	S98-Q102 WeakPolarHBondContact O-CB 3.1Å; S98-Q102 WeakPolarHBondContact O-CG 3.04Å; S98-Q102 PolarHBondContact O-N 2.84Å; Q102-L105 PolarHBondContact O-N 3.31Å; Q102-L106 WeakPolarHBondContact O-CG 3.39Å; Q102-L106 PolarHBondContact O-N 2.82Å
103	Q	52.4	Low	49	Very low	146 Å²	146	122.9 Å²	122.9	68%	0.682	58%	0.584	S	S	*	*	H	α-helix	trans	-66.5	-37.8	176.2	-74.2	-161	-19.7	0	0	112.9	L101 Q107	L101-Q103 PolarHBondContact O-N 3.46Å; Q103-Q107 PolarHBondContact O-N 2.91Å
104	R	49.2	Very low	48.8	Very low	191 Å²	191	123.9 Å²	123.9	72%	0.721	59%	0.586	S	S	*	*	H	α-helix	trans	-72	-37.9	176.3	-72.4	-104.5	-179.2	162.3	-1.1	112.3	R100 L101 Q107 L108	R100-R104 WeakPolarHBondContact O-CB 3.33Å; R100-R104 VanDerWaalsContact O-CG 3.29Å; R100-R104 WeakPolarHBondContact O-CG 3.47Å; R100-R104 PolarHBondContact O-N 2.9Å; R100-R104 VanDerWaalsContact O-N 3.1Å; L101-R104 PolarHBondContact O-N 2.89Å; R104-Q107 PolarHBondContact O-N 2.83Å; R104-L108 WeakPolarHBondContact O-CB 3.42Å; R104-L108 PolarHBondContact O-N 3.32Å
105	L	42.4	Very low	48.5	Very low	110 Å²	110	123.4 Å²	123.4	58%	0.576	58%	0.584	S	S	*	*	H	α-helix	trans	-64.4	-42.8	176.7	-98.8	154.4	0	0	0	111.6	L101 Q102 L108 Q109	L101-L105 WeakPolarHBondContact O-CB 3.44Å; L101-L105 PolarHBondContact O-N 3.29Å; Q102-L105 PolarHBondContact O-N 3.31Å; L105-L108 PolarHBondContact O-N 3.39Å; L105-Q109 VanDerWaalsContact O-CB 3.31Å; L105-Q109 WeakPolarHBondContact O-CB 3.48Å; L105-Q109 PolarHBondContact O-N 2.67Å
106	L	48.1	Very low	47.9	Very low	116 Å²	116	125.1 Å²	125.1	61%	0.607	59%	0.587	S	S	*	*	H	α-helix	trans	-64.8	-40.9	176.8	-75.1	170.4	0	0	0	111.9	Q102 S110	Q102-L106 WeakPolarHBondContact O-CG 3.39Å; Q102-L106 PolarHBondContact O-N 2.82Å; L106-S110 PolarHBondContact O-N 2.87Å
107	Q	49.5	Very low	47.6	Very low	137 Å²	137	124.9 Å²	124.9	64%	0.64	59%	0.588	S	S	*	*	H	α-helix	trans	-66.2	-43	173.9	-78.6	-172.9	-16.4	0	0	112.1	Q103 R104 Q109 S110 Y111	Q103-Q107 PolarHBondContact O-N 2.91Å; R104-Q107 PolarHBondContact O-N 2.83Å; Q107-Q109 PolarHBondContact O-N 3.17Å; Q107-S110 PolarHBondContact O-N 3.13Å; Q107-S110 PolarHBondContact O-OG 3.5Å; Q107-Y111 PolarHBondContact O-N 2.66Å; Q107-Y111 VanDerWaalsContact O-N 3.08Å
108	L	49.4	Very low	47.7	Very low	108 Å²	108	129.7 Å²	129.7	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-65.2	-40.2	179.9	-146.9	84.4	0	0	0	111.7	R104 L105 S110 Y111 I112	R104-L108 WeakPolarHBondContact O-CB 3.42Å; R104-L108 PolarHBondContact O-N 3.32Å; L105-L108 PolarHBondContact O-N 3.39Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 2.89Å; L108-Y111 PolarHBondContact O-N 3.48Å; L108-I112 HydrophobicContact CD2-CD1 3.79Å; L108-I112 HydrophobicContact CG-CD1 3.84Å; L108-I112 HydrophobicContact CG-CG1 4.44Å; L108-I112 WeakPolarHBondContact O-CB 3.36Å; L108-I112 VanDerWaalsContact O-CG1 3.22Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 3.45Å
109	Q	42.5	Very low	47.6	Very low	112 Å²	112	131.1 Å²	131.1	52%	0.523	62%	0.621	S	S	.	*	H	α-helix	trans	-62.3	-38.3	177.5	-167.9	-178.5	4.5	0	0	111.8	L105 Q107 R113	L105-Q109 VanDerWaalsContact O-CB 3.31Å; L105-Q109 WeakPolarHBondContact O-CB 3.48Å; L105-Q109 PolarHBondContact O-N 2.67Å; Q107-Q109 PolarHBondContact O-N 3.17Å; Q109-R113 WeakPolarHBondContact O-CB 3.34Å; Q109-R113 PolarHBondContact O-N 2.97Å; Q109-R113 VanDerWaalsContact O-N 3.11Å
110	S	48.7	Very low	47.4	Very low	73 Å²	73	132.6 Å²	132.6	51%	0.51	63%	0.625	S	S	.	*	H	α-helix	trans	-70.4	-37	176.9	76.6	0	0	0	0	112.9	L106 Q107 L108 K114	L106-S110 PolarHBondContact O-N 2.87Å; Q107-S110 PolarHBondContact O-N 3.13Å; Q107-S110 PolarHBondContact O-OG 3.5Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 2.89Å; S110-K114 PolarHBondContact O-N 3.41Å
111	Y	50.4	Low	47.4	Very low	173 Å²	173	131.6 Å²	131.6	68%	0.678	63%	0.626	S	S	*	*	H	α-helix	trans	-73.1	-42.7	179.2	-144.6	-89.1	0	0	0	111	Q107 L108 R113 K114 T115	Q107-Y111 PolarHBondContact O-N 2.66Å; Q107-Y111 VanDerWaalsContact O-N 3.08Å; L108-Y111 PolarHBondContact O-N 3.48Å; Y111-R113 PolarHBondContact O-N 2.87Å; Y111-K114 PolarHBondContact O-N 2.83Å; Y111-T115 HydrophobicContact CD1-CG2 3.91Å; Y111-T115 HydrophobicContact CE1-CG2 3.95Å; Y111-T115 PolarHBondContact O-N 2.96Å; Y111-T115 PolarHBondContact O-OG1 3.47Å
112	I	51.2	Low	47	Very low	90 Å²	90	133.5 Å²	133.5	46%	0.462	64%	0.641	S	S	.	*	H	α-helix	trans	-63.9	-40.5	177.7	-68.8	168.2	0	0	0	111.1	L108 T115 M116	L108-I112 HydrophobicContact CD2-CD1 3.79Å; L108-I112 HydrophobicContact CG-CD1 3.84Å; L108-I112 HydrophobicContact CG-CG1 4.44Å; L108-I112 WeakPolarHBondContact O-CB 3.36Å; L108-I112 VanDerWaalsContact O-CG1 3.22Å; L108-I112 WeakPolarHBondContact O-CG1 3.48Å; L108-I112 PolarHBondContact O-N 3.45Å; I112-T115 WeakPolarHBondContact CA-OG1 3.36Å; I112-T115 PolarHBondContact O-N 3.33Å; I112-T115 PolarHBondContact O-OG1 3.4Å; I112-M116 WeakPolarHBondContact O-CB 3.27Å; I112-M116 PolarHBondContact O-N 3.27Å
113	R	42.6	Very low	46.3	Very low	190 Å²	190	135.9 Å²	135.9	72%	0.717	65%	0.653	S	S	*	*	H	α-helix	trans	-61.9	-42.7	174.3	-94.5	-174.2	170.5	-173.4	-2.3	112.4	Q109 Y111 E117	Q109-R113 WeakPolarHBondContact O-CB 3.34Å; Q109-R113 PolarHBondContact O-N 2.97Å; Q109-R113 VanDerWaalsContact O-N 3.11Å; Y111-R113 PolarHBondContact O-N 2.87Å; R113-E117 PolarHBondContact O-N 2.86Å
114	K	52.7	Low	45.4	Very low	153 Å²	153	137 Å²	137	67%	0.665	66%	0.662	S	S	*	*	H	α-helix	trans	-66.1	-45.8	176.8	-92.6	-176.1	172.7	-176.6	0	112.3	S110 Y111 M116 E117 E118	S110-K114 PolarHBondContact O-N 3.41Å; Y111-K114 PolarHBondContact O-N 2.83Å; K114-M116 VanDerWaalsContact C-N 3.33Å; K114-M116 PolarHBondContact O-N 3.24Å; K114-E117 PolarHBondContact O-N 2.94Å; K114-E118 PolarHBondContact O-N 3.45Å; K114-E118 VanDerWaalsContact O-N 3.11Å
115	T	48.1	Very low	44.5	Very low	62 Å²	62	131.5 Å²	131.5	38%	0.38	66%	0.664	S	S	.	*	H	α-helix	trans	-70.6	-28.9	-179.2	50.9	0	0	0	0	113	Y111 I112 A119	Y111-T115 HydrophobicContact CD1-CG2 3.91Å; Y111-T115 HydrophobicContact CE1-CG2 3.95Å; Y111-T115 PolarHBondContact O-N 2.96Å; Y111-T115 PolarHBondContact O-OG1 3.47Å; I112-T115 WeakPolarHBondContact CA-OG1 3.36Å; I112-T115 PolarHBondContact O-N 3.33Å; I112-T115 PolarHBondContact O-OG1 3.4Å; T115-A119 WeakPolarHBondContact O-CB 3.48Å; T115-A119 PolarHBondContact O-N 3.17Å
116	M	42.7	Very low	43.9	Very low	135 Å²	135	135.1 Å²	135.1	67%	0.665	68%	0.678	S	S	*	*	H	α-helix	trans	-79.7	-24.7	178.8	-162.6	164.9	-162.1	0	0	113.1	I112 K114	I112-M116 WeakPolarHBondContact O-CB 3.27Å; I112-M116 PolarHBondContact O-N 3.27Å; K114-M116 VanDerWaalsContact C-N 3.33Å; K114-M116 PolarHBondContact O-N 3.24Å
117	E	47	Very low	43.1	Very low	162 Å²	162	138.7 Å²	138.7	76%	0.757	69%	0.689	S	S	*	*	H	α-helix	trans	-78.4	-35.5	169.3	-79.6	-131.5	142.9	0	0	112.8	R113 K114	R113-E117 PolarHBondContact O-N 2.86Å; K114-E117 PolarHBondContact O-N 2.94Å
118	E	47.5	Very low	42.1	Very low	145 Å²	145	137.3 Å²	137.3	68%	0.678	69%	0.694	S	S	*	*	H	α-helix	trans	-76.5	-30.8	178.3	-75.9	173.4	167.9	0	0	112.8	K114 K120 K121	K114-E118 PolarHBondContact O-N 3.45Å; K114-E118 VanDerWaalsContact O-N 3.11Å; E118-K120 PolarHBondContact O-N 2.9Å; E118-K121 PolarHBondContact O-N 3.49Å
119	A	44.6	Very low	41.2	Very low	82 Å²	82	139.4 Å²	139.4	68%	0.678	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-4.3	178.3	0	0	0	0	0	114.6	T115 K121	T115-A119 WeakPolarHBondContact O-CB 3.48Å; T115-A119 PolarHBondContact O-N 3.17Å; A119-K121 VanDerWaalsContact C-N 3.32Å
120	K	45.6	Very low	40.5	Very low	184 Å²	184	143 Å²	143	80%	0.8	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	3.4	173.7	-92.4	-173.9	176.3	-178.6	0	114.4	E118	E118-K120 PolarHBondContact O-N 2.9Å
121	K	46.2	Very low	39.7	Very low	177 Å²	177	148.9 Å²	148.9	77%	0.77	74%	0.743	S	S	*	*	S	Bend	trans	-115.7	-7.4	-168.4	-82.7	-172.5	177.7	177	0	119.5	E118 A119	E118-K121 PolarHBondContact O-N 3.49Å; A119-K121 VanDerWaalsContact C-N 3.32Å
122	T	40.5	Very low	38.6	Very low	132 Å²	132	144.2 Å²	144.2	81%	0.81	75%	0.748	S	S	*	*			trans	-157.3	130.3	-179	-5.7	0	0	0	0	114.6
123	E	31.2	Very low	37.5	Very low	176 Å²	176	149.6 Å²	149.6	82%	0.822	77%	0.771	S	S	*	*			trans	-60.8	162.6	169.2	-62.1	173.6	149.2	0	0	111.6
124	I	33	Very low	37.1	Very low	170 Å²	170	145.2 Å²	145.2	87%	0.872	78%	0.775	S	S	*	*			trans	109.2	112.6	159.4	-55.5	154.2	0	0	0	115.9
125	G	31.7	Very low	36.3	Very low	75 Å²	75	142 Å²	142	77%	0.773	78%	0.777	S	S	*	*				111.6	107.1	126.8	0	0	0	0	0	118.9
126	Q	29.5	Very low	35.5	Very low	186 Å²	186	148.5 Å²	148.5	87%	0.869	80%	0.796	S	S	*	*			trans	-72.7	146.5	167.2	-62.9	159.6	-44.9	0	0	112.6
127	K	30.4	Very low	35.3	Very low	191 Å²	191	151 Å²	151	83%	0.83	80%	0.803	S	S	*	*				141.9	140.4	125.6	-83.9	-177.1	171.4	176	0	115.1
128	S	28.2	Very low	34.7	Very low	108 Å²	108	149.4 Å²	149.4	76%	0.755	81%	0.805	S	S	*	*			trans	74	138	154.7	73.9	0	0	0	0	115.5
129	I	30.6	Very low	34	Very low	152 Å²	152	148.2 Å²	148.2	78%	0.779	81%	0.807	S	S	*	*			cis	-155	139.2	47.8	-73.4	170.4	0	0	0	109.7
130	E	28.8	Very low	33.6	Very low	187 Å²	187	149.2 Å²	149.2	87%	0.874	80%	0.8	S	S	*	*			trans	-64.5	131.6	167.6	-64.7	163.3	165.4	0	0	111.3
131	M	31.2	Very low	33.2	Very low	197 Å²	197	146.7 Å²	146.7	97%	0.97	80%	0.795	S	S	*	*			trans	-161.8	114.1	156.9	-115.8	-174.5	174.5	0	0	110.7
132	G	28.1	Very low	32.6	Very low	75 Å²	75	142 Å²	142	77%	0.773	79%	0.79	S	S	*	*			trans	118	63.1	151.5	0	0	0	0	0	118.7	A134	G132-A134 PolarHBondContact O-N 3.1Å; G132-A134 VanDerWaalsContact O-N 3.16Å
133	E	28.2	Very low	32.2	Very low	203 Å²	203	138.6 Å²	138.6	95%	0.949	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	97.5	159.8	-68.4	-177.6	154.4	0	0	110.8
134	A	33.9	Very low	32.4	Very low	97 Å²	97	135.4 Å²	135.4	80%	0.802	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.8	-17.8	163.5	0	0	0	0	0	114	G132	G132-A134 PolarHBondContact O-N 3.1Å; G132-A134 VanDerWaalsContact O-N 3.16Å
135	A	35.5	Very low	32.5	Very low	85 Å²	85	132 Å²	132	70%	0.702	75%	0.747	S	S	*	*	S	Bend	trans	-89.6	-0.2	-173.3	0	0	0	0	0	115.2	K137	A135-K137 PolarHBondContact O-N 3.15Å
136	Y	31.1	Very low	32.5	Very low	200 Å²	200	133.6 Å²	133.6	78%	0.784	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-8.6	-166	-131.5	-89.3	0	0	0	116.3	L140	Y136-L140 HydrophobicContact CD1-CD1 4.09Å; Y136-L140 HydrophobicContact CE1-CD1 4.34Å
137	K	39.3	Very low	32.7	Very low	186 Å²	186	130.6 Å²	130.6	81%	0.809	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-20.1	-173.3	-89.2	-168.9	172.1	-176.8	0	116.3	A135	A135-K137 PolarHBondContact O-N 3.15Å
138	T	33.3	Very low	33.1	Very low	130 Å²	130	127.7 Å²	127.7	80%	0.798	71%	0.711	S	S	*	*	S	Bend	trans	-100.2	-6.6	-166.8	-29.3	0	0	0	0	114.1
139	V	34.1	Very low	33.5	Very low	119 Å²	119	125.5 Å²	125.5	72%	0.721	70%	0.696	S	S	*	*	S	Bend	trans	-97.1	-15.6	-178.6	179.2	0	0	0	0	112.4
140	L	36.2	Very low	33.8	Very low	103 Å²	103	121.4 Å²	121.4	54%	0.539	68%	0.684	S	S	.	*	S	Bend	trans	-80.3	-35.3	-172.9	-84.4	157.3	0	0	0	114.6	Y136 A142 A143	Y136-L140 HydrophobicContact CD1-CD1 4.09Å; Y136-L140 HydrophobicContact CE1-CD1 4.34Å; L140-A142 PolarHBondContact O-N 2.79Å; L140-A143 PolarHBondContact O-N 3.21Å
141	D	36.9	Very low	34.3	Very low	131 Å²	131	117 Å²	117	70%	0.701	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-20.3	-173.1	-73.6	-20.2	0	0	0	114.5
142	A	33	Very low	34.6	Very low	80 Å²	80	113.6 Å²	113.6	66%	0.661	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-19.3	177.9	0	0	0	0	0	112.9	L140	L140-A142 PolarHBondContact O-N 2.79Å
143	A	33.1	Very low	35.1	Very low	60 Å²	60	115.5 Å²	115.5	50%	0.496	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-31.1	-178.4	0	0	0	0	0	113.2	L140 T145	L140-A143 PolarHBondContact O-N 3.21Å; A143-T145 PolarHBondContact O-N 3.49Å
144	E	34.3	Very low	35.7	Very low	109 Å²	109	108.7 Å²	108.7	51%	0.509	62%	0.615	S	S	.	*	H	α-helix	trans	-73.8	-20.4	-171.2	-72.9	-161.7	166.7	0	0	115.5	K148	E144-K148 IonicContact OE2-NZ 3.29Å
145	T	36.3	Very low	36.2	Very low	98 Å²	98	110 Å²	110	60%	0.601	60%	0.603	S	S	*	*	H	α-helix	trans	-91	-12	-172.4	54.7	0	0	0	0	114.2	A143	A143-T145 PolarHBondContact O-N 3.49Å
146	L	30.6	Very low	36.8	Very low	108 Å²	108	109.1 Å²	109.1	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-92.6	-28.3	173.1	-156.5	70.5	0	0	0	111.7	S149	L146-S149 PolarHBondContact O-OG 2.87Å
147	E	33.8	Very low	37.7	Very low	124 Å²	124	104.7 Å²	104.7	58%	0.579	59%	0.585	S	S	*	*	H	α-helix	trans	-69.9	-39.9	-178.5	-140.7	169.8	-167.4	0	0	112.2	S149 A150 E151	E147-S149 PolarHBondContact O-N 3.16Å; E147-A150 PolarHBondContact O-N 3.04Å; E147-E151 WeakPolarHBondContact O-CG 3.19Å; E147-E151 PolarHBondContact O-N 3.32Å
148	K	38.6	Very low	37.7	Very low	130 Å²	130	98.7 Å²	98.7	57%	0.565	57%	0.57	S	S	*	*	H	α-helix	trans	-67.3	-29.1	-176.4	-74.3	173.5	-179.7	158	0	114.8	E144	E144-K148 IonicContact OE2-NZ 3.29Å
149	S	37.2	Very low	38.2	Very low	62 Å²	62	99 Å²	99	43%	0.434	56%	0.557	S	S	.	*	H	α-helix	trans	-80.7	-31.7	175.7	43.8	0	0	0	0	113.1	L146 E147	L146-S149 PolarHBondContact O-OG 2.87Å; E147-S149 PolarHBondContact O-N 3.16Å
150	A	37.3	Very low	38.4	Very low	65 Å²	65	100.7 Å²	100.7	54%	0.537	55%	0.551	S	S	.	*	H	α-helix	trans	-72.2	-32	174.7	0	0	0	0	0	111.6	E147 S154	E147-A150 PolarHBondContact O-N 3.04Å; A150-S154 PolarHBondContact O-N 3.16Å
151	E	37.6	Very low	38.9	Very low	95 Å²	95	98.9 Å²	98.9	44%	0.444	55%	0.547	S	S	.	.	H	α-helix	trans	-72.6	-26.8	176.4	-77.3	-168.2	156.8	0	0	115	E147 S154 K155	E147-E151 WeakPolarHBondContact O-CG 3.19Å; E147-E151 PolarHBondContact O-N 3.32Å; E151-S154 PolarHBondContact O-OG 3.33Å; E151-K155 WeakPolarHBondContact O-CG 3.45Å
152	L	39.3	Very low	38.9	Very low	126 Å²	126	97.6 Å²	97.6	66%	0.66	54%	0.539	S	S	*	.	H	α-helix	trans	-75.1	-34.3	177.7	-84.6	164.5	0	0	0	112.1	K155	L152-K155 PolarHBondContact O-N 2.66Å
153	L	37.2	Very low	39.2	Very low	114 Å²	114	95.4 Å²	95.4	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-72.1	-33.3	175.9	-70.4	170	0	0	0	111.9	K155 Y159	L153-K155 VanDerWaalsContact C-N 3.28Å; L153-K155 PolarHBondContact O-N 2.94Å; L153-Y159 VanDerWaalsContact O-CB 3.31Å; L153-Y159 WeakPolarHBondContact O-CB 3.15Å
154	S	41.4	Very low	39.7	Very low	60 Å²	60	97 Å²	97	42%	0.42	52%	0.521	S	S	.	.	H	α-helix	trans	-70.6	-19.6	177.2	77.2	0	0	0	0	114.2	A150 E151	A150-S154 PolarHBondContact O-N 3.16Å; E151-S154 PolarHBondContact O-OG 3.33Å
155	K	44	Very low	40.2	Very low	124 Å²	124	96.5 Å²	96.5	54%	0.539	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.2	-177.5	-74.2	177.7	-174.7	171.1	0	114.9	E151 L152 L153	E151-K155 WeakPolarHBondContact O-CG 3.45Å; L152-K155 PolarHBondContact O-N 2.66Å; L153-K155 VanDerWaalsContact C-N 3.28Å; L153-K155 PolarHBondContact O-N 2.94Å
156	T	48.1	Very low	40.3	Very low	68 Å²	68	97.1 Å²	97.1	42%	0.417	52%	0.524	S	S	.	.	S	Bend	trans	-75.3	134.1	179.8	-49.3	0	0	0	0	109.5	A158 Y159 R160	T156-A158 HydrophobicContact CG2-CB 4.42Å; T156-A158 PolarHBondContact O-N 3.14Å; T156-Y159 WeakPolarHBondContact O-CA 3.11Å; T156-Y159 PolarHBondContact O-N 2.95Å; T156-R160 PolarHBondContact O-N 2.97Å; T156-R160 VanDerWaalsContact O-N 3.09Å
157	P	49.9	Very low	40.5	Very low	107 Å²	107	100.3 Å²	100.3	70%	0.695	53%	0.53	S	S	*	.	H	α-helix	trans	-56.4	-27.3	-178	17.7	-30.2	0	0	0	113.7	S161	P157-S161 PolarHBondContact O-N 3.44Å; P157-S161 PolarHBondContact O-OG 3.32Å
158	A	40.4	Very low	40.8	Very low	59 Å²	59	100.7 Å²	100.7	49%	0.488	53%	0.531	S	S	.	.	H	α-helix	trans	-70.3	-29.4	172.8	0	0	0	0	0	114	T156 S161 L162	T156-A158 HydrophobicContact CG2-CB 4.42Å; T156-A158 PolarHBondContact O-N 3.14Å; A158-S161 PolarHBondContact O-OG 3.45Å; A158-L162 WeakPolarHBondContact O-CG 3.18Å; A158-L162 PolarHBondContact O-N 2.97Å
159	Y	42	Very low	40.8	Very low	137 Å²	137	105 Å²	105	54%	0.537	54%	0.544	S	S	.	.	H	α-helix	trans	-82.6	-31.3	175.1	-132.5	-85.3	0	0	0	111.4	L153 T156 A163	L153-Y159 VanDerWaalsContact O-CB 3.31Å; L153-Y159 WeakPolarHBondContact O-CB 3.15Å; T156-Y159 WeakPolarHBondContact O-CA 3.11Å; T156-Y159 PolarHBondContact O-N 2.95Å; Y159-A163 WeakPolarHBondContact O-CB 2.79Å; Y159-A163 PolarHBondContact O-N 2.97Å
160	R	40.1	Very low	40.6	Very low	155 Å²	155	110.1 Å²	110.1	59%	0.585	56%	0.561	S	S	*	*	H	α-helix	trans	-67.6	-35.9	170.2	-75	-170.9	-175.5	171.3	1.3	112.7	T156 D164	T156-R160 PolarHBondContact O-N 2.97Å; T156-R160 VanDerWaalsContact O-N 3.09Å; R160-D164 WeakPolarHBondContact O-CB 3.36Å; R160-D164 PolarHBondContact O-N 3.12Å
161	S	45.3	Very low	40.2	Very low	65 Å²	65	117.5 Å²	117.5	46%	0.455	58%	0.575	S	S	.	*	H	α-helix	trans	-70.6	-37.6	174.8	61.9	0	0	0	0	112.2	P157 A158 V165	P157-S161 PolarHBondContact O-N 3.44Å; P157-S161 PolarHBondContact O-OG 3.32Å; A158-S161 PolarHBondContact O-OG 3.45Å; S161-V165 WeakPolarHBondContact O-CB 3.44Å; S161-V165 WeakPolarHBondContact O-CG2 3.33Å; S161-V165 PolarHBondContact O-N 2.81Å
162	L	38.4	Very low	40	Very low	103 Å²	103	119.2 Å²	119.2	54%	0.539	59%	0.591	S	S	.	*	H	α-helix	trans	-69.6	-39.3	172.3	-75.9	166.5	0	0	0	112.2	A158 V165 I166	A158-L162 WeakPolarHBondContact O-CG 3.18Å; A158-L162 PolarHBondContact O-N 2.97Å; L162-V165 PolarHBondContact O-N 3.33Å; L162-I166 WeakPolarHBondContact O-CB 3.46Å; L162-I166 WeakPolarHBondContact O-CD1 3.23Å; L162-I166 WeakPolarHBondContact O-CG1 3.41Å; L162-I166 PolarHBondContact O-N 3.31Å
163	A	38.2	Very low	39.6	Very low	34 Å²	34	123.3 Å²	123.3	28%	0.281	60%	0.604	S	S	.	*	H	α-helix	trans	-69	-39.2	175.1	0	0	0	0	0	111.6	Y159 V165 I166 Y167	Y159-A163 WeakPolarHBondContact O-CB 2.79Å; Y159-A163 PolarHBondContact O-N 2.97Å; A163-V165 VanDerWaalsContact C-N 3.34Å; A163-I166 CarbonylContact O-C 3.58Å; A163-I166 PolarHBondContact O-N 3.44Å; A163-Y167 VanDerWaalsContact O-CB 3.22Å; A163-Y167 WeakPolarHBondContact O-CB 2.99Å; A163-Y167 WeakPolarHBondContact O-CD2 3.47Å; A163-Y167 PolarHBondContact O-N 3.49Å
164	D	44.4	Very low	39.3	Very low	93 Å²	93	119.3 Å²	119.3	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-67	-35.2	172.8	-90.1	-16	0	0	0	111.1	R160 I166 Q168	R160-D164 WeakPolarHBondContact O-CB 3.36Å; R160-D164 PolarHBondContact O-N 3.12Å; D164-I166 VanDerWaalsContact C-N 3.34Å; D164-Q168 WeakPolarHBondContact O-CA 3.24Å; D164-Q168 WeakPolarHBondContact O-CB 3.24Å; D164-Q168 WeakPolarHBondContact O-CG 3.26Å; D164-Q168 PolarHBondContact O-N 3.18Å
165	V	44.1	Very low	39	Very low	99 Å²	99	119.6 Å²	119.6	60%	0.6	60%	0.596	S	S	*	*	H	α-helix	trans	-67.3	-36.1	173.3	169.8	0	0	0	0	111.4	S161 L162 A163 R169	S161-V165 WeakPolarHBondContact O-CB 3.44Å; S161-V165 WeakPolarHBondContact O-CG2 3.33Å; S161-V165 PolarHBondContact O-N 2.81Å; L162-V165 PolarHBondContact O-N 3.33Å; A163-V165 VanDerWaalsContact C-N 3.34Å; V165-R169 PolarHBondContact O-N 3.31Å
166	I	39.3	Very low	38.5	Very low	111 Å²	111	122.1 Å²	122.1	57%	0.569	61%	0.607	S	S	*	*	H	α-helix	trans	-76.4	-38	176.8	-67.4	166.2	0	0	0	111.6	L162 A163 D164	L162-I166 WeakPolarHBondContact O-CB 3.46Å; L162-I166 WeakPolarHBondContact O-CD1 3.23Å; L162-I166 WeakPolarHBondContact O-CG1 3.41Å; L162-I166 PolarHBondContact O-N 3.31Å; A163-I166 CarbonylContact O-C 3.58Å; A163-I166 PolarHBondContact O-N 3.44Å; D164-I166 VanDerWaalsContact C-N 3.34Å
167	Y	34.5	Very low	38	Very low	175 Å²	175	123.3 Å²	123.3	69%	0.686	61%	0.614	S	S	*	*	H	α-helix	trans	-80.9	-33.3	179.4	-92.2	-85.8	0	0	0	113.2	A163 R169 H170	A163-Y167 VanDerWaalsContact O-CB 3.22Å; A163-Y167 WeakPolarHBondContact O-CB 2.99Å; A163-Y167 WeakPolarHBondContact O-CD2 3.47Å; A163-Y167 PolarHBondContact O-N 3.49Å; Y167-R169 VanDerWaalsContact C-N 3.32Å; Y167-H170 PolarHBondContact O-N 3.18Å
168	Q	40	Very low	37.5	Very low	132 Å²	132	122.4 Å²	122.4	62%	0.617	61%	0.607	S	S	*	*	H	α-helix	trans	-71.4	-28.4	174.8	-73.3	-166	12.6	0	0	112	D164 H170 R171	D164-Q168 WeakPolarHBondContact O-CA 3.24Å; D164-Q168 WeakPolarHBondContact O-CB 3.24Å; D164-Q168 WeakPolarHBondContact O-CG 3.26Å; D164-Q168 PolarHBondContact O-N 3.18Å; Q168-H170 PolarHBondContact O-N 3.06Å; Q168-H170 VanDerWaalsContact O-N 3.14Å; Q168-R171 PolarHBondContact O-N 3.41Å
169	R	37.7	Very low	37.1	Very low	221 Å²	221	127.9 Å²	127.9	83%	0.834	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-21.8	170.9	-159.6	171.1	-171.2	125.3	0.1	112.6	V165 Y167	V165-R169 PolarHBondContact O-N 3.31Å; Y167-R169 VanDerWaalsContact C-N 3.32Å
170	H	33	Very low	36.9	Very low	170 Å²	170	125.9 Å²	125.9	79%	0.787	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	7.1	179.7	-91.7	-83.4	0	0	0	115.3	Y167 Q168	Y167-H170 PolarHBondContact O-N 3.18Å; Q168-H170 PolarHBondContact O-N 3.06Å; Q168-H170 VanDerWaalsContact O-N 3.14Å
171	R	29.4	Very low	36.7	Very low	220 Å²	220	123.6 Å²	123.6	83%	0.83	61%	0.609	S	S	*	*			trans	-141.4	26.5	-170.4	-140.5	-179.3	156	150.3	-2.8	118.2	Q168 K173	Q168-R171 PolarHBondContact O-N 3.41Å; R171-K173 PolarHBondContact O-N 3.06Å
172	V	33.6	Very low	36.4	Very low	130 Å²	130	126 Å²	126	79%	0.788	62%	0.617	S	S	*	*			trans	-81.8	117.4	164.2	-171.3	0	0	0	0	109.4	G174	V172-G174 PolarHBondContact O-N 3.11Å
173	K	30.5	Very low	36.1	Very low	213 Å²	213	124.9 Å²	124.9	93%	0.926	61%	0.611	S	S	*	*	S	Bend	trans	-57	90	177.6	-69.3	172.7	174.1	175.9	0	110.9	R171	R171-K173 PolarHBondContact O-N 3.06Å
174	G	31.5	Very low	36.2	Very low	29 Å²	29	129.8 Å²	129.8	30%	0.299	63%	0.628	S	S	.	*			trans	-159.9	17.1	168.6	0	0	0	0	0	111.9	V172 K176 T177 V178	V172-G174 PolarHBondContact O-N 3.11Å; G174-K176 PolarHBondContact O-N 2.93Å; G174-T177 PolarHBondContact O-N 3.46Å; G174-V178 PolarHBondContact O-N 3.2Å
175	A	34.9	Very low	35.9	Very low	67 Å²	67	133.2 Å²	133.2	55%	0.554	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	8.2	-160.3	0	0	0	0	0	116.2	R179	A175-R179 WeakPolarHBondContact O-CB 3.35Å
176	K	32.5	Very low	35.6	Very low	176 Å²	176	132 Å²	132	77%	0.765	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-48.9	166.4	-77.1	-172.6	173.5	-175.1	0	110.8	G174 R179 D180	G174-K176 PolarHBondContact O-N 2.93Å; K176-R179 PolarHBondContact O-N 2.86Å; K176-D180 WeakPolarHBondContact O-CB 3.45Å; K176-D180 PolarHBondContact O-N 2.89Å
177	T	38	Very low	35.3	Very low	93 Å²	93	135.1 Å²	135.1	57%	0.571	65%	0.649	S	S	*	*	H	α-helix	trans	-68.4	-39.2	178.3	-41.8	0	0	0	0	112.8	G174 E181	G174-T177 PolarHBondContact O-N 3.46Å; T177-E181 WeakPolarHBondContact O-CB 3.33Å; T177-E181 WeakPolarHBondContact O-CG 3.13Å; T177-E181 PolarHBondContact O-N 2.88Å
178	V	39	Very low	35.3	Very low	89 Å²	89	129 Å²	129	54%	0.539	64%	0.635	S	S	.	*	H	α-helix	trans	-77.3	-24.7	178.8	-178.3	0	0	0	0	112	G174 L182	G174-V178 PolarHBondContact O-N 3.2Å; V178-L182 WeakPolarHBondContact O-CB 3.46Å; V178-L182 PolarHBondContact O-N 3.26Å
179	R	33	Very low	34.9	Very low	173 Å²	173	126.5 Å²	126.5	65%	0.653	65%	0.645	S	S	*	*	H	α-helix	trans	-80.4	-37.3	176.4	-165.6	170.1	-85.8	-177.5	-8.6	110.8	A175 K176 L182 D183	A175-R179 WeakPolarHBondContact O-CB 3.35Å; K176-R179 PolarHBondContact O-N 2.86Å; R179-L182 PolarHBondContact O-N 3.29Å; R179-D183 WeakPolarHBondContact O-CB 3.43Å; R179-D183 PolarHBondContact O-N 3.47Å
180	D	37.1	Very low	34.5	Very low	96 Å²	96	122.1 Å²	122.1	51%	0.513	64%	0.638	S	S	.	*	H	α-helix	trans	-62.7	-45.9	167.3	-69.8	-23.4	0	0	0	110.1	K176 L182 D183 H184	K176-D180 WeakPolarHBondContact O-CB 3.45Å; K176-D180 PolarHBondContact O-N 2.89Å; D180-L182 PolarHBondContact O-N 3.21Å; D180-D183 PolarHBondContact O-N 3.06Å; D180-H184 PolarHBondContact O-N 3.31Å; D180-H184 PolarHBondContact O-ND1 2.6Å
181	E	36.4	Very low	34.8	Very low	106 Å²	106	122.2 Å²	122.2	50%	0.495	64%	0.638	S	S	.	*	H	α-helix	trans	-64.5	-38.6	176.4	-75.6	-176.5	-166.4	0	0	113	T177 D183 H184 F185	T177-E181 WeakPolarHBondContact O-CB 3.33Å; T177-E181 WeakPolarHBondContact O-CG 3.13Å; T177-E181 PolarHBondContact O-N 2.88Å; E181-D183 PolarHBondContact O-N 3.48Å; E181-H184 CarbonylContact O-C 3.56Å; E181-H184 WeakPolarHBondContact O-CB 3.47Å; E181-H184 PolarHBondContact O-N 3.01Å; E181-F185 HydrophobicContact CB-CD2 4.47Å; E181-F185 HydrophobicContact CB-CE2 4.29Å; E181-F185 WeakPolarHBondContact O-CD2 3.45Å; E181-F185 PolarHBondContact O-N 3Å
182	L	38.2	Very low	34.9	Very low	115 Å²	115	116.8 Å²	116.8	60%	0.602	63%	0.625	S	S	*	*	H	α-helix	trans	-70.7	-30.1	177.5	-153.9	73.6	0	0	0	112.7	V178 R179 D180 F185 A186	V178-L182 WeakPolarHBondContact O-CB 3.46Å; V178-L182 PolarHBondContact O-N 3.26Å; R179-L182 PolarHBondContact O-N 3.29Å; D180-L182 PolarHBondContact O-N 3.21Å; L182-F185 PolarHBondContact O-N 2.84Å; L182-A186 VanDerWaalsContact O-CB 3.23Å; L182-A186 WeakPolarHBondContact O-CB 3.44Å; L182-A186 PolarHBondContact O-N 2.9Å
183	D	32.4	Very low	35.3	Very low	80 Å²	80	117.6 Å²	117.6	43%	0.428	61%	0.614	S	S	.	*	H	α-helix	trans	-73.3	-31.7	170	-73.9	-24	0	0	0	111.3	R179 D180 E181 F187	R179-D183 WeakPolarHBondContact O-CB 3.43Å; R179-D183 PolarHBondContact O-N 3.47Å; D180-D183 PolarHBondContact O-N 3.06Å; E181-D183 PolarHBondContact O-N 3.48Å; D183-F187 WeakPolarHBondContact O-CB 3.42Å; D183-F187 WeakPolarHBondContact O-CD2 3.3Å; D183-F187 PolarHBondContact O-N 2.99Å; D183-F187 VanDerWaalsContact O-N 3.13Å
184	H	40.4	Very low	35.4	Very low	137 Å²	137	118.6 Å²	118.6	63%	0.634	61%	0.612	S	S	*	*	H	α-helix	trans	-68.5	-32.9	169.2	-72.9	70.5	0	0	0	111.8	D180 E181 A188	D180-H184 PolarHBondContact O-N 3.31Å; D180-H184 PolarHBondContact O-ND1 2.6Å; E181-H184 CarbonylContact O-C 3.56Å; E181-H184 WeakPolarHBondContact O-CB 3.47Å; E181-H184 PolarHBondContact O-N 3.01Å; H184-A188 WeakPolarHBondContact O-CB 3.47Å; H184-A188 PolarHBondContact O-N 3.03Å
185	F	38.1	Very low	35.4	Very low	165 Å²	165	124.6 Å²	124.6	72%	0.724	63%	0.63	S	S	*	*	H	α-helix	trans	-79.2	-28	175.1	-74.3	-66.5	0	0	0	113.9	E181 L182	E181-F185 HydrophobicContact CB-CD2 4.47Å; E181-F185 HydrophobicContact CB-CE2 4.29Å; E181-F185 WeakPolarHBondContact O-CD2 3.45Å; E181-F185 PolarHBondContact O-N 3Å; L182-F185 PolarHBondContact O-N 2.84Å
186	A	38.3	Very low	35.4	Very low	74 Å²	74	125.4 Å²	125.4	61%	0.612	63%	0.63	S	S	*	*	H	α-helix	trans	-88.7	-17.7	-178.9	0	0	0	0	0	114.1	L182	L182-A186 VanDerWaalsContact O-CB 3.23Å; L182-A186 WeakPolarHBondContact O-CB 3.44Å; L182-A186 PolarHBondContact O-N 2.9Å
187	F	32.6	Very low	35.4	Very low	176 Å²	176	122 Å²	122	77%	0.772	62%	0.624	S	S	*	*	H	α-helix	trans	-117.6	-2.8	-179.9	-71.7	-80.4	0	0	0	115.7	D183 G189	D183-F187 WeakPolarHBondContact O-CB 3.42Å; D183-F187 WeakPolarHBondContact O-CD2 3.3Å; D183-F187 PolarHBondContact O-N 2.99Å; D183-F187 VanDerWaalsContact O-N 3.13Å; F187-G189 VanDerWaalsContact C-N 3.28Å; F187-G189 PolarHBondContact O-N 3.35Å
188	A	35.7	Very low	34.8	Very low	48 Å²	48	127.2 Å²	127.2	40%	0.397	63%	0.633	S	S	.	*			trans	-82.1	66.1	178.4	0	0	0	0	0	113.3	H184 D190	H184-A188 WeakPolarHBondContact O-CB 3.47Å; H184-A188 PolarHBondContact O-N 3.03Å; A188-D190 PolarHBondContact O-N 3.34Å
189	G	30.6	Very low	34.4	Very low	79 Å²	79	130.8 Å²	130.8	81%	0.814	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	45.8	170.2	0	0	0	0	0	114.6	F187	F187-G189 VanDerWaalsContact C-N 3.28Å; F187-G189 PolarHBondContact O-N 3.35Å
190	D	29.7	Very low	34.3	Very low	128 Å²	128	127.8 Å²	127.8	68%	0.684	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.7	26.3	-179.3	-142	10.5	0	0	0	117.1	A188 I192	A188-D190 PolarHBondContact O-N 3.34Å; D190-I192 VanDerWaalsContact C-N 3.3Å; D190-I192 PolarHBondContact O-N 3.42Å
191	H	38	Very low	33.8	Very low	172 Å²	172	132.8 Å²	132.8	80%	0.796	66%	0.663	S	S	*	*			trans	-81	79.4	174.5	-65.2	-5.6	0	0	0	111.3	Y193	H191-Y193 PolarHBondContact O-N 2.97Å
192	I	32.4	Very low	33.5	Very low	107 Å²	107	135.1 Å²	135.1	55%	0.549	68%	0.679	S	S	.	*			trans	-65.4	116.2	163.1	-60.2	170.3	0	0	0	107.8	D190 R194	D190-I192 VanDerWaalsContact C-N 3.3Å; D190-I192 PolarHBondContact O-N 3.42Å; I192-R194 PolarHBondContact O-N 3.43Å
193	Y	42.2	Very low	33	Very low	146 Å²	146	136.2 Å²	136.2	57%	0.573	69%	0.69	S	S	*	*			trans	-49.6	130.5	173	171.6	-105.8	0	0	0	111.8	H191 K195	H191-Y193 PolarHBondContact O-N 2.97Å; Y193-K195 HydrophobicContact CE1-CB 4.35Å
194	R	32	Very low	33	Very low	234 Å²	234	137.4 Å²	137.4	88%	0.883	71%	0.705	S	S	*	*			trans	-117	107.3	174.9	-174.3	-178.3	-108.8	-157.2	-1.9	109	I192	I192-R194 PolarHBondContact O-N 3.43Å
195	K	32.7	Very low	32.3	Very low	155 Å²	155	136.4 Å²	136.4	67%	0.674	71%	0.714	S	S	*	*			trans	-42	133.1	174.3	154.5	176.5	170.5	164.9	0	113	Y193	Y193-K195 HydrophobicContact CE1-CB 4.35Å
196	P	35	Very low	32.2	Very low	84 Å²	84	134.4 Å²	134.4	55%	0.545	72%	0.715	S	S	.	*			trans	-67.5	143.5	165.8	-16.4	29.9	0	0	0	112.4
197	V	32.4	Very low	32	Very low	105 Å²	105	136.8 Å²	136.8	64%	0.636	72%	0.721	S	S	*	*	S	Bend	trans	-85.1	-8.7	-165.8	-172.8	0	0	0	0	113.8
198	W	25.5	Very low	32	Very low	202 Å²	202	134.5 Å²	134.5	77%	0.765	72%	0.722	S	S	*	*			trans	-158.3	123.6	-179.8	30.4	74.3	0	0	0	111.8
199	I	29.3	Very low	32.2	Very low	164 Å²	164	138.2 Å²	138.2	84%	0.841	73%	0.73	S	S	*	*			trans	-111.1	111.5	158.8	-58.6	172.7	0	0	0	104.9	R201	I199-R201 PolarHBondContact O-N 2.86Å
200	C	30.8	Very low	33	Very low	110 Å²	110	140.5 Å²	140.5	74%	0.743	72%	0.718	S	S	*	*			trans	-67.6	116.6	177.9	-70.1	0	0	0	0	109.5	D202	C200-D202 PolarHBondContact O-N 3.05Å
201	R	26.8	Very low	33.6	Very low	201 Å²	201	138.9 Å²	138.9	76%	0.758	71%	0.709	S	S	*	*			trans	-77.6	97.6	165.1	-84.9	179.3	171.6	164.5	-0.6	108.5	I199	I199-R201 PolarHBondContact O-N 2.86Å
202	D	30.1	Very low	34.1	Very low	155 Å²	155	136.8 Å²	136.8	83%	0.829	70%	0.7	S	S	*	*			trans	-92.3	103.8	159.4	-81.1	-24.9	0	0	0	109.4	C200 S204	C200-D202 PolarHBondContact O-N 3.05Å; D202-S204 PolarHBondContact O-N 3.06Å
203	V	28.6	Very low	34.7	Very low	138 Å²	138	137.1 Å²	137.1	84%	0.836	70%	0.699	S	S	*	*			trans	-74.3	113	174.9	-172.4	0	0	0	0	107.5
204	S	31.1	Very low	34.6	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	68%	0.681	S	S	*	*			trans	-134.2	125.2	158.2	61	0	0	0	0	109.4	D202 V206	D202-S204 PolarHBondContact O-N 3.06Å; S204-V206 PolarHBondContact O-N 3.37Å
205	S	25.9	Very low	35.3	Very low	117 Å²	117	127.8 Å²	127.8	82%	0.818	66%	0.664	S	S	*	*			trans	-65.2	112.5	-173.4	55.6	0	0	0	0	111.7
206	V	36.6	Very low	36	Very low	123 Å²	123	123.1 Å²	123.1	75%	0.745	65%	0.651	S	S	*	*			trans	-136.7	96.1	164.6	-176.5	0	0	0	0	109.7	S204	S204-V206 PolarHBondContact O-N 3.37Å
207	T	34.3	Very low	37.1	Very low	123 Å²	123	119.8 Å²	119.8	76%	0.755	63%	0.63	S	S	*	*			trans	20.1	109.2	145.3	51.2	0	0	0	0	118.1	H209	T207-H209 PolarHBondContact O-N 2.82Å
208	V	32.7	Very low	37.5	Very low	128 Å²	128	118.8 Å²	118.8	78%	0.776	62%	0.615	S	S	*	*	S	Bend	trans	-12.2	109.9	145.5	-175.8	0	0	0	0	112.5
209	H	39.7	Very low	38.7	Very low	126 Å²	126	113.4 Å²	113.4	58%	0.583	60%	0.597	S	S	*	*			trans	168.2	0.3	149.9	-85.1	-56	0	0	0	115.3	T207 D211 Q212	T207-H209 PolarHBondContact O-N 2.82Å; H209-D211 PolarHBondContact O-N 2.96Å; H209-Q212 PolarHBondContact CE1-OE1 3.35Å; H209-Q212 PolarHBondContact ND1-OE1 2.99Å
210	K	46.9	Very low	39.4	Very low	128 Å²	128	108.2 Å²	108.2	56%	0.557	58%	0.576	S	S	*	*	H	α-helix	trans	-67.7	-29	-177	-105.2	179.2	174.6	-174	0	115.1	W214 E432	K210-W214 VanDerWaalsContact O-CD1 3.27Å; K210-E432 IonicContact NZ-OE2 2.62Å; K210-E432 PolarHBondContact NZ-OE2 2.81Å
211	D	42	Very low	40.1	Very low	93 Å²	93	106.7 Å²	106.7	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-83.3	-20.4	-175.9	-54.3	-41.8	0	0	0	114.2	H209 Q213 W214 Y215	H209-D211 PolarHBondContact O-N 2.96Å; D211-Q213 VanDerWaalsContact C-N 3.32Å; D211-Q213 PolarHBondContact O-N 2.71Å; D211-W214 PolarHBondContact O-N 2.88Å; D211-Y215 PolarHBondContact O-N 3.31Å
212	Q	48.2	Very low	41.2	Very low	129 Å²	129	98.3 Å²	98.3	60%	0.603	53%	0.525	S	S	*	.	H	α-helix	trans	-69	-31.1	175.6	-90	-177.4	-29.6	0	0	113	H209 Y215 S216	H209-Q212 PolarHBondContact CE1-OE1 3.35Å; H209-Q212 PolarHBondContact ND1-OE1 2.99Å; Q212-Y215 PolarHBondContact O-N 2.84Å; Q212-S216 PolarHBondContact O-N 3.15Å; Q212-S216 VanDerWaalsContact O-N 3.09Å; Q212-S216 PolarHBondContact O-OG 2.79Å
213	Q	45.2	Very low	41.6	Very low	113 Å²	113	95.8 Å²	95.8	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-40.9	178.8	-76	-170.3	20.2	0	0	111.4	D211 S216 A217 Y387	D211-Q213 VanDerWaalsContact C-N 3.32Å; D211-Q213 PolarHBondContact O-N 2.71Å; Q213-S216 PolarHBondContact O-N 3.5Å; Q213-S216 PolarHBondContact O-OG 3.32Å; Q213-A217 WeakPolarHBondContact O-CB 3.27Å; Q213-A217 PolarHBondContact O-N 3.45Å; Q213-Y387 HydrophobicContact CB-CD1 4.35Å; Q213-Y387 HydrophobicContact CB-CE1 3.79Å; Q213-Y387 WeakPolarHBondContact O-CE1 3.44Å; Q213-Y387 PolarHBondContact O-OH 3.44Å
214	W	40.1	Very low	42.1	Very low	49 Å²	49	92.9 Å²	92.9	19%	0.186	49%	0.494	C	S	.	.	H	α-helix	trans	-65.3	-38.7	175.2	-66.7	109.7	0	0	0	112.9	K210 D211 A217 W218 Y387 C428 M443	K210-W214 VanDerWaalsContact O-CD1 3.27Å; D211-W214 PolarHBondContact O-N 2.88Å; W214-A217 VanDerWaalsContact O-CB 3.26Å; W214-A217 WeakPolarHBondContact O-CB 3.22Å; W214-A217 PolarHBondContact O-N 2.96Å; W214-W218 WeakPolarHBondContact O-CB 3.27Å; W214-W218 PolarHBondContact O-N 3.05Å; W214-W218 VanDerWaalsContact O-N 3.13Å; W214-Y387 HydrophobicContact CE3-CG 4.49Å; W214-Y387 HydrophobicContact CZ3-CG 4.36Å; W214-C428 HydrophobicContact CH2-CB 4.13Å; W214-C428 WeakPolarHBondContact CH2-SG 3.28Å; W214-C428 HydrophobicContact CZ3-CB 4.05Å; W214-C428 WeakPolarHBondContact CZ3-SG 3.46Å; W214-M443 HydrophobicContact CB-CE 4.32Å; W214-M443 HydrophobicContact CD2-CE 4.35Å; W214-M443 HydrophobicContact CD2-SD 4.04Å; W214-M443 HydrophobicContact CE3-CE 3.63Å; W214-M443 HydrophobicContact CE3-SD 3.38Å; W214-M443 HydrophobicContact CZ3-CE 4.35Å; W214-M443 HydrophobicContact CZ3-SD 3.68Å
215	Y	47.9	Very low	42.4	Very low	135 Å²	135	90.6 Å²	90.6	53%	0.529	47%	0.474	S	S	.	.	H	α-helix	trans	-68.4	-39	178.2	-173.7	-99.9	0	0	0	112.4	D211 Q212 W218 K219	D211-Y215 PolarHBondContact O-N 3.31Å; Q212-Y215 PolarHBondContact O-N 2.84Å; Y215-W218 PolarHBondContact O-N 2.83Å; Y215-K219 HydrophobicContact CD1-CD 4.46Å; Y215-K219 HydrophobicContact CE1-CD 3.83Å; Y215-K219 VanDerWaalsContact CE1-CE 3.46Å; Y215-K219 HydrophobicContact CE1-CG 4.18Å; Y215-K219 WeakPolarHBondContact O-CB 3.44Å; Y215-K219 PolarHBondContact O-N 2.8Å; Y215-K219 VanDerWaalsContact OH-CE 3.28Å; Y215-K219 WeakPolarHBondContact OH-CE 3.25Å
216	S	48	Very low	42.8	Very low	57 Å²	57	89.4 Å²	89.4	40%	0.399	47%	0.471	S	S	.	.	H	α-helix	trans	-69.6	-34.8	175.7	58.7	0	0	0	0	112.5	Q212 Q213 W218 S220 Y387	Q212-S216 PolarHBondContact O-N 3.15Å; Q212-S216 VanDerWaalsContact O-N 3.09Å; Q212-S216 PolarHBondContact O-OG 2.79Å; Q213-S216 PolarHBondContact O-N 3.5Å; Q213-S216 PolarHBondContact O-OG 3.32Å; S216-W218 VanDerWaalsContact C-N 3.35Å; S216-S220 WeakPolarHBondContact O-CB 3.14Å; S216-S220 PolarHBondContact O-N 2.86Å; S216-S220 PolarHBondContact O-OG 3.48Å; S216-Y387 PolarHBondContact OG-OH 3.38Å; S216-Y387 VanDerWaalsContact OG-OH 3.07Å
217	A	57.1	Low	43	Very low	14 Å²	14	90 Å²	90	12%	0.116	46%	0.461	C	S	.	.	H	α-helix	trans	-56.5	-48.3	171.8	0	0	0	0	0	112.9	Q213 W214 S220 W221 Y387	Q213-A217 WeakPolarHBondContact O-CB 3.27Å; Q213-A217 PolarHBondContact O-N 3.45Å; W214-A217 VanDerWaalsContact O-CB 3.26Å; W214-A217 WeakPolarHBondContact O-CB 3.22Å; W214-A217 PolarHBondContact O-N 2.96Å; A217-S220 PolarHBondContact O-N 2.87Å; A217-S220 PolarHBondContact O-OG 3.48Å; A217-W221 VanDerWaalsContact O-CB 3.27Å; A217-W221 WeakPolarHBondContact O-CB 2.86Å; A217-W221 PolarHBondContact O-N 2.74Å; A217-Y387 WeakPolarHBondContact CA-OH 3.36Å; A217-Y387 HydrophobicContact CB-CD1 4.41Å; A217-Y387 HydrophobicContact CB-CD2 3.2Å; A217-Y387 HydrophobicContact CB-CE1 4.1Å; A217-Y387 HydrophobicContact CB-CE2 2.86Å; A217-Y387 HydrophobicContact CB-CG 3.99Å; A217-Y387 PolarHBondContact N-OH 3.4Å; A217-Y387 VanDerWaalsContact N-OH 3.12Å
218	W	41.4	Very low	43.3	Very low	85 Å²	85	88.6 Å²	88.6	32%	0.322	45%	0.448	S	S	.	.	H	α-helix	trans	-76.6	-37.2	-173.4	-179.4	88.2	0	0	0	110.1	W214 Y215 S216 W221 T222 E444	W214-W218 WeakPolarHBondContact O-CB 3.27Å; W214-W218 PolarHBondContact O-N 3.05Å; W214-W218 VanDerWaalsContact O-N 3.13Å; Y215-W218 PolarHBondContact O-N 2.83Å; S216-W218 VanDerWaalsContact C-N 3.35Å; W218-W221 AromaticContact NE1-CZ3 3.96Å; W218-W221 PolarHBondContact O-N 3.02Å; W218-T222 HydrophobicContact CD2-CG2 4.44Å; W218-T222 HydrophobicContact CH2-CG2 4.15Å; W218-T222 HydrophobicContact CZ2-CG2 3.86Å; W218-T222 PolarHBondContact O-N 3.17Å; W218-T222 PolarHBondContact O-OG1 3.35Å; W218-E444 PolarHBondContact NE1-OE2 3.07Å
219	K	50	Low	43.4	Very low	89 Å²	89	86.3 Å²	86.3	39%	0.387	43%	0.429	S	S	.	.	H	α-helix	trans	-58.7	-49.8	168	-90.6	-161.9	173.3	-178.8	0	111.4	Y215 W221 T222 E223	Y215-K219 HydrophobicContact CD1-CD 4.46Å; Y215-K219 HydrophobicContact CE1-CD 3.83Å; Y215-K219 VanDerWaalsContact CE1-CE 3.46Å; Y215-K219 HydrophobicContact CE1-CG 4.18Å; Y215-K219 WeakPolarHBondContact O-CB 3.44Å; Y215-K219 PolarHBondContact O-N 2.8Å; Y215-K219 VanDerWaalsContact OH-CE 3.28Å; Y215-K219 WeakPolarHBondContact OH-CE 3.25Å; K219-W221 VanDerWaalsContact C-N 3.27Å; K219-W221 PolarHBondContact O-N 2.73Å; K219-T222 WeakPolarHBondContact CA-OG1 3.08Å; K219-T222 PolarHBondContact O-N 3.12Å; K219-T222 PolarHBondContact O-OG1 3.46Å; K219-E223 WeakPolarHBondContact O-CB 3.29Å; K219-E223 WeakPolarHBondContact O-CG 3.42Å; K219-E223 PolarHBondContact O-N 2.88Å
220	S	44.7	Very low	43.4	Very low	55 Å²	55	84.5 Å²	84.5	39%	0.385	43%	0.43	S	S	.	.	H	α-helix	trans	-65.5	-30.9	179.3	69.3	0	0	0	0	112.4	S216 A217 S224	S216-S220 WeakPolarHBondContact O-CB 3.14Å; S216-S220 PolarHBondContact O-N 2.86Å; S216-S220 PolarHBondContact O-OG 3.48Å; A217-S220 PolarHBondContact O-N 2.87Å; A217-S220 PolarHBondContact O-OG 3.48Å; S220-S224 WeakPolarHBondContact O-CA 3.12Å; S220-S224 WeakPolarHBondContact O-CB 3.42Å; S220-S224 PolarHBondContact O-N 2.92Å
221	W	46	Very low	43.1	Very low	77 Å²	77	87.2 Å²	87.2	29%	0.292	45%	0.445	S	S	.	.	H	α-helix	trans	-71.3	-46.6	173.2	176.1	89.2	0	0	0	113.6	A217 W218 K219 E223 S224 N225 K383	A217-W221 VanDerWaalsContact O-CB 3.27Å; A217-W221 WeakPolarHBondContact O-CB 2.86Å; A217-W221 PolarHBondContact O-N 2.74Å; W218-W221 AromaticContact NE1-CZ3 3.96Å; W218-W221 PolarHBondContact O-N 3.02Å; K219-W221 VanDerWaalsContact C-N 3.27Å; K219-W221 PolarHBondContact O-N 2.73Å; W221-E223 PolarHBondContact O-N 3.38Å; W221-S224 WeakPolarHBondContact O-CB 3.34Å; W221-S224 PolarHBondContact O-N 3.49Å; W221-N225 PolarHBondContact O-N 3.02Å; W221-K383 VanDerWaalsContact CD1-NZ 3.3Å
222	T	48.2	Very low	42.9	Very low	25 Å²	25	94.2 Å²	94.2	15%	0.153	46%	0.464	C	S	.	.	H	α-helix	trans	-64.9	-32.9	173.9	31	0	0	0	0	111.1	W218 K219	W218-T222 HydrophobicContact CD2-CG2 4.44Å; W218-T222 HydrophobicContact CH2-CG2 4.15Å; W218-T222 HydrophobicContact CZ2-CG2 3.86Å; W218-T222 PolarHBondContact O-N 3.17Å; W218-T222 PolarHBondContact O-OG1 3.35Å; K219-T222 WeakPolarHBondContact CA-OG1 3.08Å; K219-T222 PolarHBondContact O-N 3.12Å; K219-T222 PolarHBondContact O-OG1 3.46Å
223	E	38.7	Very low	42	Very low	103 Å²	103	94.3 Å²	94.3	48%	0.481	47%	0.468	S	S	.	.	H	α-helix	trans	-76	-29.4	174.8	-69.9	170.4	-173.9	0	0	113	K219 W221 N225 Q229	K219-E223 WeakPolarHBondContact O-CB 3.29Å; K219-E223 WeakPolarHBondContact O-CG 3.42Å; K219-E223 PolarHBondContact O-N 2.88Å; W221-E223 PolarHBondContact O-N 3.38Å; E223-N225 PolarHBondContact O-N 2.82Å; E223-Q229 PolarHBondContact O-NE2 2.78Å; E223-Q229 VanDerWaalsContact O-NE2 3.1Å
224	S	40.7	Very low	41.4	Very low	76 Å²	76	93.3 Å²	93.3	53%	0.531	46%	0.463	S	S	.	.	H	α-helix	trans	-67.5	-20.9	175.1	143.5	0	0	0	0	113.2	S220 W221	S220-S224 WeakPolarHBondContact O-CA 3.12Å; S220-S224 WeakPolarHBondContact O-CB 3.42Å; S220-S224 PolarHBondContact O-N 2.92Å; W221-S224 WeakPolarHBondContact O-CB 3.34Å; W221-S224 PolarHBondContact O-N 3.49Å
225	N	35.8	Very low	41.4	Very low	58 Å²	58	97 Å²	97	31%	0.31	49%	0.493	S	S	.	.			trans	-93.2	99.5	176.7	-78.9	-26.8	0	0	0	109.9	W221 E223 Y227 I228	W221-N225 PolarHBondContact O-N 3.02Å; E223-N225 PolarHBondContact O-N 2.82Å; N225-Y227 PolarHBondContact O-N 2.89Å; N225-I228 HydrophobicContact CB-CD1 4.05Å; N225-I228 HydrophobicContact CB-CG1 4.2Å; N225-I228 PolarHBondContact O-N 2.78Å
226	A	34.2	Very low	40.9	Very low	92 Å²	92	98.2 Å²	98.2	76%	0.76	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-8.3	178.6	0	0	0	0	0	115.2
227	Y	40.8	Very low	40.4	Very low	135 Å²	135	96.8 Å²	96.8	53%	0.529	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-21.5	178.3	-165.1	-101.9	0	0	0	113.7	N225 S230 Y274	N225-Y227 PolarHBondContact O-N 2.89Å; Y227-S230 PolarHBondContact O-OG 2.81Å; Y227-Y274 HydrophobicContact CE1-CE1 4.26Å; Y227-Y274 AromaticContact CE2-CE1 3.93Å; Y227-Y274 HydrophobicContact CE2-CE1 3.93Å; Y227-Y274 AromaticContact CZ-CE1 3.65Å; Y227-Y274 WeakPolarHBondContact OH-CE1 3.47Å
228	I	40.3	Very low	39.6	Very low	93 Å²	93	101.2 Å²	101.2	48%	0.477	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-21.9	-177.5	-57.5	177.3	0	0	0	111	N225 S230	N225-I228 HydrophobicContact CB-CD1 4.05Å; N225-I228 HydrophobicContact CB-CG1 4.2Å; N225-I228 PolarHBondContact O-N 2.78Å; I228-S230 PolarHBondContact O-N 3.07Å
229	Q	36.3	Very low	39.8	Very low	80 Å²	80	101.6 Å²	101.6	37%	0.374	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-78.9	-10.5	177.8	-71.4	-168.9	-17.1	0	0	115.3	E223 E231 R232	E223-Q229 PolarHBondContact O-NE2 2.78Å; E223-Q229 VanDerWaalsContact O-NE2 3.1Å; Q229-E231 PolarHBondContact O-N 2.86Å; Q229-E231 VanDerWaalsContact O-N 3.15Å; Q229-R232 PolarHBondContact O-N 2.87Å
230	S	39.7	Very low	39.3	Very low	89 Å²	89	104.9 Å²	104.9	62%	0.622	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-71.9	-7.2	-172.9	51.8	0	0	0	0	115.2	Y227 I228	Y227-S230 PolarHBondContact O-OG 2.81Å; I228-S230 PolarHBondContact O-N 3.07Å
231	E	40.3	Very low	39	Very low	185 Å²	185	109.8 Å²	109.8	86%	0.864	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-99.8	-11.7	180	-70.4	-166.9	157.7	0	0	114.9	Q229	Q229-E231 PolarHBondContact O-N 2.86Å; Q229-E231 VanDerWaalsContact O-N 3.15Å
232	R	37.2	Very low	38.8	Very low	239 Å²	239	108.7 Å²	108.7	90%	0.902	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	-5.4	-173.9	-89.8	-176.7	168.8	164.7	-1.1	116.2	Q229	Q229-R232 PolarHBondContact O-N 2.87Å
233	L	29.9	Very low	38.4	Very low	131 Å²	131	113.3 Å²	113.3	69%	0.686	61%	0.614	S	S	*	*	S	Bend	trans	-112.4	84.8	176.5	-77.7	164.4	0	0	0	109.9
234	F	32.5	Very low	38.3	Very low	93 Å²	93	116.4 Å²	116.4	41%	0.408	62%	0.622	S	S	.	*			trans	170.9	94.2	147.4	-108	-134	0	0	0	113.1	A237	F234-A237 VanDerWaalsContact CD1-C 3.42Å; F234-A237 HydrophobicContact CD1-CB 3.97Å; F234-A237 HydrophobicContact CD2-CB 3.54Å; F234-A237 HydrophobicContact CE1-CB 3.54Å; F234-A237 WeakPolarHBondContact CE1-O 3.03Å; F234-A237 HydrophobicContact CE2-CB 3.02Å; F234-A237 HydrophobicContact CG-CB 4.02Å; F234-A237 HydrophobicContact CZ-CB 3.01Å; F234-A237 WeakPolarHBondContact CZ-O 3.25Å
235	P	40.9	Very low	38.1	Very low	126 Å²	126	119.1 Å²	119.1	82%	0.818	62%	0.624	S	S	*	*	S	Bend	trans	-102.2	-13.9	139.5	-14.5	30.4	0	0	0	112.3
236	L	36.3	Very low	38.6	Very low	161 Å²	161	120.2 Å²	120.2	84%	0.843	63%	0.633	S	S	*	*	S	Bend	trans	-118.6	6.6	-160.5	-125.2	147.8	0	0	0	115
237	A	38.6	Very low	39	Very low	27 Å²	27	120.5 Å²	120.5	22%	0.223	62%	0.619	C	S	.	*			trans	-131	20.4	-178.7	0	0	0	0	0	114.3	F234 S239 L240	F234-A237 VanDerWaalsContact CD1-C 3.42Å; F234-A237 HydrophobicContact CD1-CB 3.97Å; F234-A237 HydrophobicContact CD2-CB 3.54Å; F234-A237 HydrophobicContact CE1-CB 3.54Å; F234-A237 WeakPolarHBondContact CE1-O 3.03Å; F234-A237 HydrophobicContact CE2-CB 3.02Å; F234-A237 HydrophobicContact CG-CB 4.02Å; F234-A237 HydrophobicContact CZ-CB 3.01Å; F234-A237 WeakPolarHBondContact CZ-O 3.25Å; A237-S239 PolarHBondContact O-N 2.77Å; A237-L240 PolarHBondContact O-N 2.9Å
238	S	38.6	Very low	38.8	Very low	107 Å²	107	119.6 Å²	119.6	75%	0.748	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-13.3	164.6	49.8	0	0	0	0	114
239	S	45.9	Very low	39	Very low	92 Å²	92	119 Å²	119	64%	0.643	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-8	-176.9	57	0	0	0	0	115.8	A237	A237-S239 PolarHBondContact O-N 2.77Å
240	L	40.1	Very low	39.2	Very low	159 Å²	159	118.5 Å²	118.5	83%	0.832	62%	0.623	S	S	*	*	S	Bend	trans	-132	10.8	-168.5	-70.3	172.3	0	0	0	115.7	A237	A237-L240 PolarHBondContact O-N 2.9Å
241	R	37.9	Very low	39.5	Very low	157 Å²	157	122.7 Å²	122.7	59%	0.592	63%	0.626	S	S	*	*			trans	-100.1	111.7	-177.4	-163.8	173.1	-75.3	168.7	-3.6	112.4
242	A	41.9	Very low	40	Very low	54 Å²	54	119.8 Å²	119.8	45%	0.446	61%	0.61	S	S	.	*			trans	-48.2	152.3	176.3	0	0	0	0	0	114.9	Y244	A242-Y244 VanDerWaalsContact C-N 3.29Å; A242-Y244 HydrophobicContact CB-CD1 4.18Å; A242-Y244 HydrophobicContact CB-CE1 4.2Å; A242-Y244 PolarHBondContact O-N 2.91Å
243	P	39.6	Very low	41.2	Very low	122 Å²	122	112.3 Å²	112.3	79%	0.792	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	12.7	-157.4	31.2	-36.7	0	0	0	116.8
244	Y	37.5	Very low	42.5	Very low	169 Å²	169	111.9 Å²	111.9	66%	0.663	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	0.4	-169.9	74.4	-93.6	0	0	0	115.6	A242	A242-Y244 VanDerWaalsContact C-N 3.29Å; A242-Y244 HydrophobicContact CB-CD1 4.18Å; A242-Y244 HydrophobicContact CB-CE1 4.2Å; A242-Y244 PolarHBondContact O-N 2.91Å
245	K	35.8	Very low	43.5	Very low	132 Å²	132	111 Å²	111	57%	0.574	58%	0.577	S	S	*	*	S	Bend	trans	-113.3	8.7	-172	-148.3	176.8	-180	-179.9	0	115.1	T249	K245-T249 PolarHBondContact O-OG1 3.4Å
246	T	46	Very low	44.2	Very low	82 Å²	82	109.8 Å²	109.8	50%	0.503	56%	0.563	S	S	.	*	S	Bend	trans	-84.2	-40.3	-177.6	19.5	0	0	0	0	113.8	L248 T249 D250	T246-L248 PolarHBondContact O-N 3.25Å; T246-T249 WeakPolarHBondContact CA-OG1 3.05Å; T246-T249 PolarHBondContact O-N 2.8Å; T246-T249 PolarHBondContact O-OG1 2.87Å; T246-D250 PolarHBondContact O-N 2.94Å
247	E	42.8	Very low	45.2	Very low	98 Å²	98	108.6 Å²	108.6	46%	0.458	55%	0.553	S	S	.	*	H	α-helix	trans	-67.5	-34.2	-173.8	-72.7	175.7	-150.7	0	0	114.7	K45 D250 W251	K45-E247 IonicContact NZ-OE1 2.91Å; K45-E247 PolarHBondContact NZ-OE1 2.82Å; K45-E247 IonicContact NZ-OE2 2.72Å; K45-E247 PolarHBondContact NZ-OE2 3.48Å; E247-D250 PolarHBondContact O-N 2.8Å; E247-W251 PolarHBondContact O-N 3.24Å
248	L	37.2	Very low	45.9	Very low	115 Å²	115	108.9 Å²	108.9	60%	0.602	55%	0.554	S	S	*	*	H	α-helix	trans	-74.4	-28.6	177.6	-83.2	164.3	0	0	0	112.3	T246 K252	T246-L248 PolarHBondContact O-N 3.25Å; L248-K252 WeakPolarHBondContact O-CB 3.34Å; L248-K252 WeakPolarHBondContact O-CG 3.49Å; L248-K252 PolarHBondContact O-N 3.11Å
249	T	44.4	Very low	46.2	Very low	80 Å²	80	109.6 Å²	109.6	49%	0.491	56%	0.558	S	S	.	*	H	α-helix	trans	-73.8	-36.4	168.1	24.4	0	0	0	0	111.1	K245 T246 K252 L253	K245-T249 PolarHBondContact O-OG1 3.4Å; T246-T249 WeakPolarHBondContact CA-OG1 3.05Å; T246-T249 PolarHBondContact O-N 2.8Å; T246-T249 PolarHBondContact O-OG1 2.87Å; T249-K252 CarbonylContact O-C 3.57Å; T249-K252 WeakPolarHBondContact O-CB 3.35Å; T249-K252 PolarHBondContact O-N 3.37Å; T249-L253 VanDerWaalsContact O-CB 3.24Å; T249-L253 WeakPolarHBondContact O-CB 3.3Å; T249-L253 PolarHBondContact O-N 3.28Å
250	D	39.5	Very low	46.7	Very low	71 Å²	71	108.9 Å²	108.9	38%	0.38	55%	0.548	S	S	.	.	H	α-helix	trans	-70.4	-36.4	178.8	-67	-18.6	0	0	0	112	T246 E247 L253 Q254	T246-D250 PolarHBondContact O-N 2.94Å; E247-D250 PolarHBondContact O-N 2.8Å; D250-L253 PolarHBondContact O-N 2.92Å; D250-Q254 VanDerWaalsContact O-CB 3.31Å; D250-Q254 WeakPolarHBondContact O-CB 3.37Å; D250-Q254 WeakPolarHBondContact O-CG 3.35Å; D250-Q254 PolarHBondContact O-N 3.14Å
251	W	47	Very low	47.5	Very low	177 Å²	177	106.1 Å²	106.1	67%	0.67	54%	0.539	S	S	*	.	H	α-helix	trans	-70.2	-35.7	171.9	-74.3	5.4	0	0	0	112.5	E247 L253 Y255	E247-W251 PolarHBondContact O-N 3.24Å; W251-L253 VanDerWaalsContact C-N 3.33Å; W251-Y255 VanDerWaalsContact O-CB 3.3Å; W251-Y255 WeakPolarHBondContact O-CB 3.18Å; W251-Y255 PolarHBondContact O-N 3.22Å
252	K	51.7	Low	48.3	Very low	123 Å²	123	103.3 Å²	103.3	54%	0.535	54%	0.539	S	S	.	.	H	α-helix	trans	-63.4	-41.7	169.2	-86.9	-172	170.4	74.9	0	110.9	L248 T249 Y255 D256	L248-K252 WeakPolarHBondContact O-CB 3.34Å; L248-K252 WeakPolarHBondContact O-CG 3.49Å; L248-K252 PolarHBondContact O-N 3.11Å; T249-K252 CarbonylContact O-C 3.57Å; T249-K252 WeakPolarHBondContact O-CB 3.35Å; T249-K252 PolarHBondContact O-N 3.37Å; K252-Y255 CarbonylContact O-C 3.57Å; K252-Y255 WeakPolarHBondContact O-CB 3.16Å; K252-Y255 PolarHBondContact O-N 3.1Å; K252-D256 WeakPolarHBondContact O-CB 3.44Å; K252-D256 VanDerWaalsContact O-CG 3.31Å; K252-D256 PolarHBondContact O-N 3.17Å
253	L	60.4	Low	48.8	Very low	82 Å²	82	103.3 Å²	103.3	43%	0.429	53%	0.531	S	S	.	.	H	α-helix	trans	-66.6	-43.2	178.3	-160.6	78.1	0	0	0	111.1	T249 D250 W251 Y255 D256 E257	T249-L253 VanDerWaalsContact O-CB 3.24Å; T249-L253 WeakPolarHBondContact O-CB 3.3Å; T249-L253 PolarHBondContact O-N 3.28Å; D250-L253 PolarHBondContact O-N 2.92Å; W251-L253 VanDerWaalsContact C-N 3.33Å; L253-Y255 VanDerWaalsContact C-N 3.33Å; L253-Y255 PolarHBondContact O-N 2.88Å; L253-D256 CarbonylContact O-C 3.56Å; L253-D256 VanDerWaalsContact O-C 3.3Å; L253-D256 VanDerWaalsContact O-CA 3.27Å; L253-D256 WeakPolarHBondContact O-CA 3.27Å; L253-D256 PolarHBondContact O-N 3.46Å; L253-E257 HydrophobicContact CG-CG 4.25Å; L253-E257 VanDerWaalsContact O-CB 3.3Å; L253-E257 WeakPolarHBondContact O-CB 3.37Å; L253-E257 WeakPolarHBondContact O-CG 3.29Å; L253-E257 PolarHBondContact O-N 3.03Å
254	Q	58.7	Low	49.3	Very low	122 Å²	122	106 Å²	106	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-66.6	-35.8	174.1	-73.8	173.1	30.9	0	0	111.9	D250 S258	D250-Q254 VanDerWaalsContact O-CB 3.31Å; D250-Q254 WeakPolarHBondContact O-CB 3.37Å; D250-Q254 WeakPolarHBondContact O-CG 3.35Å; D250-Q254 PolarHBondContact O-N 3.14Å; Q254-S258 WeakPolarHBondContact O-CB 3.37Å; Q254-S258 PolarHBondContact O-N 3.08Å
255	Y	54	Low	49.6	Very low	76 Å²	76	100.7 Å²	100.7	30%	0.298	52%	0.517	S	S	.	.	H	α-helix	trans	-59.2	-56	166.5	-165.8	-114.9	0	0	0	107.2	W251 K252 L253 E257 S258 I263 T266 R267 S270	W251-Y255 VanDerWaalsContact O-CB 3.3Å; W251-Y255 WeakPolarHBondContact O-CB 3.18Å; W251-Y255 PolarHBondContact O-N 3.22Å; K252-Y255 CarbonylContact O-C 3.57Å; K252-Y255 WeakPolarHBondContact O-CB 3.16Å; K252-Y255 PolarHBondContact O-N 3.1Å; L253-Y255 VanDerWaalsContact C-N 3.33Å; L253-Y255 PolarHBondContact O-N 2.88Å; Y255-E257 PolarHBondContact O-N 3.4Å; Y255-S258 PolarHBondContact O-N 3.37Å; Y255-S258 PolarHBondContact O-OG 2.93Å; Y255-I263 HydrophobicContact CD2-CG2 3.87Å; Y255-I263 HydrophobicContact CE2-CG2 3.75Å; Y255-T266 VanDerWaalsContact OH-C 3.25Å; Y255-T266 PolarHBondContact OH-O 3.05Å; Y255-R267 VanDerWaalsContact C-CZ 3.42Å; Y255-R267 HydrophobicContact CD1-CG 3.86Å; Y255-R267 VanDerWaalsContact CD1-NH2 3.32Å; Y255-R267 HydrophobicContact CE1-CB 4.17Å; Y255-R267 HydrophobicContact CE1-CG 3.36Å; Y255-R267 HydrophobicContact CE2-CG 4.17Å; Y255-R267 HydrophobicContact CG-CG 4.47Å; Y255-R267 PolarHBondContact O-NH1 2.91Å; Y255-R267 PolarHBondContact O-NH2 3.23Å; Y255-R267 WeakPolarHBondContact OH-CA 3.3Å; Y255-R267 PolarHBondContact OH-N 2.81Å; Y255-S270 WeakPolarHBondContact CE1-OG 3.39Å; Y255-S270 PolarHBondContact OH-OG 2.87Å
256	D	55.3	Low	50.2	Low	100 Å²	100	97.8 Å²	97.8	54%	0.535	51%	0.51	S	S	.	.	H	α-helix	trans	-54.6	-26.6	179.3	-73.5	-30.2	0	0	0	116.7	K252 L253 R267	K252-D256 WeakPolarHBondContact O-CB 3.44Å; K252-D256 VanDerWaalsContact O-CG 3.31Å; K252-D256 PolarHBondContact O-N 3.17Å; L253-D256 CarbonylContact O-C 3.56Å; L253-D256 VanDerWaalsContact O-C 3.3Å; L253-D256 VanDerWaalsContact O-CA 3.27Å; L253-D256 WeakPolarHBondContact O-CA 3.27Å; L253-D256 PolarHBondContact O-N 3.46Å; D256-R267 PolarHBondContact O-NH1 3.33Å; D256-R267 IonicContact OD1-CZ 3.93Å; D256-R267 IonicContact OD1-NH2 2.6Å; D256-R267 PolarHBondContact OD1-NH2 2.72Å
257	E	55.8	Low	50.8	Low	136 Å²	136	95.6 Å²	95.6	64%	0.636	49%	0.492	S	S	*	.	H	α-helix	trans	-107.2	-12.6	-177.9	-70.5	177.9	164.9	0	0	113	L253 Y255 S259	L253-E257 HydrophobicContact CG-CG 4.25Å; L253-E257 VanDerWaalsContact O-CB 3.3Å; L253-E257 WeakPolarHBondContact O-CB 3.37Å; L253-E257 WeakPolarHBondContact O-CG 3.29Å; L253-E257 PolarHBondContact O-N 3.03Å; Y255-E257 PolarHBondContact O-N 3.4Å; E257-S259 PolarHBondContact O-N 3.05Å
258	S	53.9	Low	51.3	Low	33 Å²	33	95.3 Å²	95.3	23%	0.231	49%	0.49	C	S	.	.			trans	-65.6	123.2	-177.5	68.3	0	0	0	0	112.8	Q254 Y255 N260 I263	Q254-S258 WeakPolarHBondContact O-CB 3.37Å; Q254-S258 PolarHBondContact O-N 3.08Å; Y255-S258 PolarHBondContact O-N 3.37Å; Y255-S258 PolarHBondContact O-OG 2.93Å; S258-N260 VanDerWaalsContact C-N 3.33Å; S258-I263 WeakPolarHBondContact OG-CB 3.26Å; S258-I263 WeakPolarHBondContact OG-CG2 3.28Å
259	S	45.3	Very low	51.6	Low	121 Å²	121	93.8 Å²	93.8	85%	0.846	49%	0.485	S	S	*	.			trans	-86.8	3.5	-177.8	53.3	0	0	0	0	114.1	E257	E257-S259 PolarHBondContact O-N 3.05Å
260	N	56.7	Low	51.5	Low	78 Å²	78	91.9 Å²	91.9	42%	0.417	48%	0.475	S	S	.	.			trans	-71.8	127.1	-178.3	-173	-26.7	0	0	0	110.4	S258 V262 I263 R264	S258-N260 VanDerWaalsContact C-N 3.33Å; N260-V262 PolarHBondContact O-N 3.27Å; N260-V262 VanDerWaalsContact O-N 3.17Å; N260-V262 PolarHBondContact OD1-N 2.89Å; N260-V262 VanDerWaalsContact OD1-N 3.1Å; N260-I263 HydrophobicContact CB-CB 4.32Å; N260-I263 HydrophobicContact CB-CD1 4.04Å; N260-I263 HydrophobicContact CB-CG1 4.03Å; N260-I263 PolarHBondContact O-N 3.41Å; N260-R264 PolarHBondContact O-N 3.41Å
261	P	56.6	Low	52	Low	100 Å²	100	91.3 Å²	91.3	65%	0.649	47%	0.474	S	S	*	.	H	α-helix	trans	-56.1	-32.5	-179.6	19.5	-32.2	0	0	0	113.9	R264 A265	P261-R264 PolarHBondContact O-N 3.19Å; P261-A265 PolarHBondContact O-N 2.79Å
262	V	53.7	Low	52.2	Low	99 Å²	99	86.8 Å²	86.8	60%	0.6	46%	0.46	S	S	*	.	H	α-helix	trans	-68.7	-46.2	176.3	-180	0	0	0	0	110.5	N260 R264 A265 T266	N260-V262 PolarHBondContact O-N 3.27Å; N260-V262 VanDerWaalsContact O-N 3.17Å; N260-V262 PolarHBondContact OD1-N 2.89Å; N260-V262 VanDerWaalsContact OD1-N 3.1Å; V262-R264 VanDerWaalsContact C-N 3.28Å; V262-R264 PolarHBondContact O-N 3.24Å; V262-A265 PolarHBondContact O-N 3.06Å; V262-T266 PolarHBondContact O-N 3.39Å; V262-T266 PolarHBondContact O-OG1 2.78Å
263	I	53.7	Low	51.8	Low	53 Å²	53	86.3 Å²	86.3	27%	0.272	46%	0.462	S	S	.	.	H	α-helix	trans	-67.3	-33.7	178.1	-53.2	177.1	0	0	0	110	Y255 S258 N260 A265 T266 R267	Y255-I263 HydrophobicContact CD2-CG2 3.87Å; Y255-I263 HydrophobicContact CE2-CG2 3.75Å; S258-I263 WeakPolarHBondContact OG-CB 3.26Å; S258-I263 WeakPolarHBondContact OG-CG2 3.28Å; N260-I263 HydrophobicContact CB-CB 4.32Å; N260-I263 HydrophobicContact CB-CD1 4.04Å; N260-I263 HydrophobicContact CB-CG1 4.03Å; N260-I263 PolarHBondContact O-N 3.41Å; I263-A265 PolarHBondContact O-N 3.21Å; I263-T266 PolarHBondContact O-N 3.21Å; I263-R267 HydrophobicContact CG2-CG 4.27Å; I263-R267 WeakPolarHBondContact O-CB 3.42Å; I263-R267 WeakPolarHBondContact O-CD 3.42Å; I263-R267 WeakPolarHBondContact O-CG 3.27Å; I263-R267 PolarHBondContact O-N 3.41Å
264	R	49.4	Very low	51	Low	179 Å²	179	88.2 Å²	88.2	68%	0.675	46%	0.464	S	S	*	.	H	α-helix	trans	-60.6	-42.1	171.9	-162.4	179.1	-168.7	179.5	3.5	113	N260 P261 V262 F268	N260-R264 PolarHBondContact O-N 3.41Å; P261-R264 PolarHBondContact O-N 3.19Å; V262-R264 VanDerWaalsContact C-N 3.28Å; V262-R264 PolarHBondContact O-N 3.24Å; R264-F268 PolarHBondContact O-N 2.92Å
265	A	44.4	Very low	50.4	Low	58 Å²	58	86.6 Å²	86.6	48%	0.479	46%	0.457	S	S	.	.	H	α-helix	trans	-67.4	-44.6	174.4	0	0	0	0	0	111.3	P261 V262 I263 R267 F268 V269	P261-A265 PolarHBondContact O-N 2.79Å; V262-A265 PolarHBondContact O-N 3.06Å; I263-A265 PolarHBondContact O-N 3.21Å; A265-R267 VanDerWaalsContact C-N 3.33Å; A265-R267 PolarHBondContact O-N 3.35Å; A265-F268 PolarHBondContact O-N 2.81Å; A265-V269 WeakPolarHBondContact O-CG2 2.99Å; A265-V269 PolarHBondContact O-N 3.21Å
266	T	48.9	Very low	50.2	Low	71 Å²	71	86.8 Å²	86.8	44%	0.436	47%	0.466	S	S	.	.	H	α-helix	trans	-64	-36.1	178.4	-50.2	0	0	0	0	112.1	Y255 V262 I263 V269 S270	Y255-T266 VanDerWaalsContact OH-C 3.25Å; Y255-T266 PolarHBondContact OH-O 3.05Å; V262-T266 PolarHBondContact O-N 3.39Å; V262-T266 PolarHBondContact O-OG1 2.78Å; I263-T266 PolarHBondContact O-N 3.21Å; T266-V269 PolarHBondContact O-N 2.83Å; T266-S270 WeakPolarHBondContact O-CB 3.31Å; T266-S270 PolarHBondContact O-N 3.39Å; T266-S270 PolarHBondContact O-OG 2.9Å; T266-S270 VanDerWaalsContact O-OG 3.11Å
267	R	57.4	Low	49.6	Very low	35 Å²	35	83.6 Å²	83.6	13%	0.132	45%	0.454	C	S	.	.	H	α-helix	trans	-63.4	-44.9	172.6	-72.1	164.8	81.9	99.4	70.6	112.9	Y255 D256 I263 A265 V269 S270 T271	Y255-R267 VanDerWaalsContact C-CZ 3.42Å; Y255-R267 HydrophobicContact CD1-CG 3.86Å; Y255-R267 VanDerWaalsContact CD1-NH2 3.32Å; Y255-R267 HydrophobicContact CE1-CB 4.17Å; Y255-R267 HydrophobicContact CE1-CG 3.36Å; Y255-R267 HydrophobicContact CE2-CG 4.17Å; Y255-R267 HydrophobicContact CG-CG 4.47Å; Y255-R267 PolarHBondContact O-NH1 2.91Å; Y255-R267 PolarHBondContact O-NH2 3.23Å; Y255-R267 WeakPolarHBondContact OH-CA 3.3Å; Y255-R267 PolarHBondContact OH-N 2.81Å; D256-R267 PolarHBondContact O-NH1 3.33Å; D256-R267 IonicContact OD1-CZ 3.93Å; D256-R267 IonicContact OD1-NH2 2.6Å; D256-R267 PolarHBondContact OD1-NH2 2.72Å; I263-R267 HydrophobicContact CG2-CG 4.27Å; I263-R267 WeakPolarHBondContact O-CB 3.42Å; I263-R267 WeakPolarHBondContact O-CD 3.42Å; I263-R267 WeakPolarHBondContact O-CG 3.27Å; I263-R267 PolarHBondContact O-N 3.41Å; A265-R267 VanDerWaalsContact C-N 3.33Å; A265-R267 PolarHBondContact O-N 3.35Å; R267-V269 PolarHBondContact O-N 3.41Å; R267-S270 WeakPolarHBondContact CA-OG 3.42Å; R267-S270 PolarHBondContact O-N 2.82Å; R267-S270 PolarHBondContact O-OG 3.35Å; R267-T271 WeakPolarHBondContact O-CB 3.5Å; R267-T271 PolarHBondContact O-N 2.9Å; R267-T271 PolarHBondContact O-OG1 3.11Å
268	F	52.5	Low	48.9	Very low	93 Å²	93	80.1 Å²	80.1	41%	0.408	44%	0.444	S	S	.	.	H	α-helix	trans	-62.2	-40.6	180	-173.6	-99.1	0	0	0	110.2	R264 A265 K272	R264-F268 PolarHBondContact O-N 2.92Å; A265-F268 PolarHBondContact O-N 2.81Å; F268-K272 VanDerWaalsContact O-CB 3.23Å; F268-K272 WeakPolarHBondContact O-CB 3.38Å; F268-K272 VanDerWaalsContact O-CG 3.27Å; F268-K272 WeakPolarHBondContact O-CG 3.17Å; F268-K272 PolarHBondContact O-N 2.83Å
269	V	44.8	Very low	48.5	Very low	82 Å²	82	81.6 Å²	81.6	50%	0.497	45%	0.454	S	S	.	.	H	α-helix	trans	-71.4	-42.4	175.6	176	0	0	0	0	111.9	A265 T266 R267 L273	A265-V269 WeakPolarHBondContact O-CG2 2.99Å; A265-V269 PolarHBondContact O-N 3.21Å; T266-V269 PolarHBondContact O-N 2.83Å; R267-V269 PolarHBondContact O-N 3.41Å; V269-L273 HydrophobicContact CG1-CD1 3.58Å; V269-L273 HydrophobicContact CG1-CG 4.3Å; V269-L273 WeakPolarHBondContact O-CB 3.43Å; V269-L273 VanDerWaalsContact O-CG 3.25Å; V269-L273 WeakPolarHBondContact O-CG 3.44Å; V269-L273 PolarHBondContact O-N 2.79Å
270	S	41.9	Very low	48.5	Very low	41 Å²	41	80.7 Å²	80.7	29%	0.287	44%	0.439	S	S	.	.	H	α-helix	trans	-74.9	-39.2	-176.6	71.1	0	0	0	0	112.7	Y255 T266 R267 Y274	Y255-S270 WeakPolarHBondContact CE1-OG 3.39Å; Y255-S270 PolarHBondContact OH-OG 2.87Å; T266-S270 WeakPolarHBondContact O-CB 3.31Å; T266-S270 PolarHBondContact O-N 3.39Å; T266-S270 PolarHBondContact O-OG 2.9Å; T266-S270 VanDerWaalsContact O-OG 3.11Å; R267-S270 WeakPolarHBondContact CA-OG 3.42Å; R267-S270 PolarHBondContact O-N 2.82Å; R267-S270 PolarHBondContact O-OG 3.35Å; S270-Y274 WeakPolarHBondContact O-CA 3.22Å; S270-Y274 WeakPolarHBondContact O-CB 3.49Å; S270-Y274 PolarHBondContact O-N 2.73Å
271	T	49.9	Very low	47.7	Very low	59 Å²	59	84.8 Å²	84.8	36%	0.362	45%	0.454	S	S	.	.	H	α-helix	trans	-72	-36.7	177.9	-54.1	0	0	0	0	110	R267 E275	R267-T271 WeakPolarHBondContact O-CB 3.5Å; R267-T271 PolarHBondContact O-N 2.9Å; R267-T271 PolarHBondContact O-OG1 3.11Å; T271-E275 VanDerWaalsContact O-CB 3.24Å; T271-E275 WeakPolarHBondContact O-CB 3.27Å; T271-E275 WeakPolarHBondContact O-CG 3.19Å; T271-E275 PolarHBondContact O-N 2.68Å
272	K	50.8	Low	47	Very low	82 Å²	82	91.2 Å²	91.2	36%	0.357	47%	0.465	S	S	.	.	H	α-helix	trans	-75.4	-39.6	174	-69.5	-71.3	167	-153.8	0	113.2	F268 Y274 E275 V276	F268-K272 VanDerWaalsContact O-CB 3.23Å; F268-K272 WeakPolarHBondContact O-CB 3.38Å; F268-K272 VanDerWaalsContact O-CG 3.27Å; F268-K272 WeakPolarHBondContact O-CG 3.17Å; F268-K272 PolarHBondContact O-N 2.83Å; K272-Y274 VanDerWaalsContact C-N 3.3Å; K272-Y274 PolarHBondContact O-N 3.44Å; K272-E275 IonicContact NZ-OE2 3.71Å; K272-E275 PolarHBondContact NZ-OE2 3.02Å; K272-V276 WeakPolarHBondContact O-CB 3.42Å; K272-V276 WeakPolarHBondContact O-CG2 3.19Å; K272-V276 PolarHBondContact O-N 2.91Å
273	L	43.7	Very low	46.4	Very low	112 Å²	112	89.2 Å²	89.2	59%	0.586	46%	0.464	S	S	*	.	H	α-helix	trans	-68.4	-29.5	172.1	-76.2	171.8	0	0	0	111.9	V269 A277	V269-L273 HydrophobicContact CG1-CD1 3.58Å; V269-L273 HydrophobicContact CG1-CG 4.3Å; V269-L273 WeakPolarHBondContact O-CB 3.43Å; V269-L273 VanDerWaalsContact O-CG 3.25Å; V269-L273 WeakPolarHBondContact O-CG 3.44Å; V269-L273 PolarHBondContact O-N 2.79Å; L273-A277 WeakPolarHBondContact O-CA 3Å; L273-A277 WeakPolarHBondContact O-CB 3.24Å; L273-A277 PolarHBondContact O-N 2.84Å
274	Y	44.5	Very low	46.4	Very low	122 Å²	122	92.5 Å²	92.5	48%	0.478	48%	0.482	S	S	.	.	H	α-helix	trans	-79.3	-38.3	175.2	-176.1	-91.7	0	0	0	112.2	Y227 S270 K272 S278	Y227-Y274 HydrophobicContact CE1-CE1 4.26Å; Y227-Y274 AromaticContact CE2-CE1 3.93Å; Y227-Y274 HydrophobicContact CE2-CE1 3.93Å; Y227-Y274 AromaticContact CZ-CE1 3.65Å; Y227-Y274 WeakPolarHBondContact OH-CE1 3.47Å; S270-Y274 WeakPolarHBondContact O-CA 3.22Å; S270-Y274 WeakPolarHBondContact O-CB 3.49Å; S270-Y274 PolarHBondContact O-N 2.73Å; K272-Y274 VanDerWaalsContact C-N 3.3Å; K272-Y274 PolarHBondContact O-N 3.44Å; Y274-S278 WeakPolarHBondContact O-CA 3.12Å; Y274-S278 WeakPolarHBondContact O-CB 3.41Å; Y274-S278 PolarHBondContact O-N 3Å; Y274-S278 PolarHBondContact O-OG 2.84Å
275	E	45.7	Very low	47.4	Very low	88 Å²	88	86.8 Å²	86.8	41%	0.411	47%	0.465	S	S	.	.	H	α-helix	trans	-65.2	-41.2	171.8	-77.7	170.4	-176.1	0	0	111.3	T271 K272 S279	T271-E275 VanDerWaalsContact O-CB 3.24Å; T271-E275 WeakPolarHBondContact O-CB 3.27Å; T271-E275 WeakPolarHBondContact O-CG 3.19Å; T271-E275 PolarHBondContact O-N 2.68Å; K272-E275 IonicContact NZ-OE2 3.71Å; K272-E275 PolarHBondContact NZ-OE2 3.02Å; E275-S279 WeakPolarHBondContact O-CB 3.23Å; E275-S279 PolarHBondContact O-N 2.93Å
276	V	49.2	Very low	49	Very low	80 Å²	80	85.7 Å²	85.7	49%	0.485	45%	0.451	S	S	.	.	H	α-helix	trans	-73.1	-47.7	176.4	174.2	0	0	0	0	109.9	K272 S279 L280	K272-V276 WeakPolarHBondContact O-CB 3.42Å; K272-V276 WeakPolarHBondContact O-CG2 3.19Å; K272-V276 PolarHBondContact O-N 2.91Å; V276-S279 PolarHBondContact O-N 2.85Å; V276-L280 HydrophobicContact CG1-CD1 3.53Å; V276-L280 HydrophobicContact CG1-CG 4.44Å; V276-L280 WeakPolarHBondContact O-CB 3.43Å; V276-L280 WeakPolarHBondContact O-CD1 3.46Å; V276-L280 WeakPolarHBondContact O-CG 3.3Å; V276-L280 PolarHBondContact O-N 2.79Å; V276-L280 VanDerWaalsContact O-N 3.12Å
277	A	42.4	Very low	50.4	Low	34 Å²	34	86.3 Å²	86.3	28%	0.281	46%	0.458	S	S	.	.	H	α-helix	trans	-70.2	-40.3	179.9	0	0	0	0	0	113	L273 S279 L280 F281	L273-A277 WeakPolarHBondContact O-CA 3Å; L273-A277 WeakPolarHBondContact O-CB 3.24Å; L273-A277 PolarHBondContact O-N 2.84Å; A277-S279 VanDerWaalsContact C-N 3.25Å; A277-S279 PolarHBondContact O-N 2.8Å; A277-L280 PolarHBondContact O-N 3Å; A277-F281 HydrophobicContact CB-CE2 3.91Å; A277-F281 WeakPolarHBondContact O-CD2 3.42Å; A277-F281 WeakPolarHBondContact O-CE2 3.3Å
278	S	40.9	Very low	51.6	Low	62 Å²	62	89.4 Å²	89.4	43%	0.434	47%	0.474	S	S	.	.	H	α-helix	trans	-72.7	-18.7	176.4	105.3	0	0	0	0	113	Y274	Y274-S278 WeakPolarHBondContact O-CA 3.12Å; Y274-S278 WeakPolarHBondContact O-CB 3.41Å; Y274-S278 PolarHBondContact O-N 3Å; Y274-S278 PolarHBondContact O-OG 2.84Å
279	S	46.8	Very low	53.1	Low	64 Å²	64	85 Å²	85	45%	0.448	46%	0.455	S	S	.	.	H	α-helix	trans	-77.9	-20.4	166.8	179.2	0	0	0	0	112.5	E275 V276 A277 M381	E275-S279 WeakPolarHBondContact O-CB 3.23Å; E275-S279 PolarHBondContact O-N 2.93Å; V276-S279 PolarHBondContact O-N 2.85Å; A277-S279 VanDerWaalsContact C-N 3.25Å; A277-S279 PolarHBondContact O-N 2.8Å; S279-M381 VanDerWaalsContact O-CE 3.25Å; S279-M381 WeakPolarHBondContact O-CE 3.27Å
280	L	45.1	Very low	55	Low	102 Å²	102	82 Å²	82	53%	0.534	44%	0.439	S	S	.	.	S	Bend	trans	-96.3	8.2	-174.1	-72.1	167.1	0	0	0	115.5	V276 A277	V276-L280 HydrophobicContact CG1-CD1 3.53Å; V276-L280 HydrophobicContact CG1-CG 4.44Å; V276-L280 WeakPolarHBondContact O-CB 3.43Å; V276-L280 WeakPolarHBondContact O-CD1 3.46Å; V276-L280 WeakPolarHBondContact O-CG 3.3Å; V276-L280 PolarHBondContact O-N 2.79Å; V276-L280 VanDerWaalsContact O-N 3.12Å; A277-L280 PolarHBondContact O-N 3Å
281	F	39.4	Very low	57.1	Low	165 Å²	165	83.8 Å²	83.8	72%	0.724	45%	0.448	S	S	*	.	S	Bend	trans	-108.2	23.9	-173.5	-71.7	-59.6	0	0	0	117.2	A277	A277-F281 HydrophobicContact CB-CE2 3.91Å; A277-F281 WeakPolarHBondContact O-CD2 3.42Å; A277-F281 WeakPolarHBondContact O-CE2 3.3Å
282	R	41.2	Very low	58.7	Low	235 Å²	235	84.1 Å²	84.1	89%	0.887	45%	0.445	S	S	*	.	S	Bend	trans	-147.4	77.3	167.3	-75.4	-169	178.1	-155.2	-0.6	113.4
283	G	42.1	Very low	60.4	Low	56 Å²	56	80.2 Å²	80.2	58%	0.577	43%	0.429	S	S	*	.			trans	69.6	129.5	161.5	0	0	0	0	0	116.4	N285	G283-N285 VanDerWaalsContact C-N 3.3Å; G283-N285 PolarHBondContact O-N 3.2Å
284	N	52.9	Low	62.4	Low	122 Å²	122	77.3 Å²	77.3	65%	0.652	42%	0.417	S	S	*	.			trans	-69.3	87.4	168.1	-112.5	3.3	0	0	0	109.4	I286	N284-I286 PolarHBondContact O-N 3.1Å; N284-I286 VanDerWaalsContact O-N 3.15Å
285	N	69.8	Low	64.4	Low	60 Å²	60	78.1 Å²	78.1	32%	0.321	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	4.1	179.9	-70	-9.9	0	0	0	113.7	G283 S287 E288 V289 G382	G283-N285 VanDerWaalsContact C-N 3.3Å; G283-N285 PolarHBondContact O-N 3.2Å; N285-S287 PolarHBondContact O-N 2.99Å; N285-E288 PolarHBondContact O-N 3.44Å; N285-E288 VanDerWaalsContact O-N 3.16Å; N285-V289 VanDerWaalsContact O-CG2 3.24Å; N285-V289 WeakPolarHBondContact O-CG2 3.48Å; N285-V289 PolarHBondContact O-N 3.12Å; N285-G382 VanDerWaalsContact CB-O 3.24Å; N285-G382 WeakPolarHBondContact CB-O 3.23Å
286	I	78.5	Confident	66.2	Low	34 Å²	34	76.7 Å²	76.7	17%	0.174	42%	0.42	C	S	.	.	H	α-helix	trans	-55.5	-37.2	177	-60.7	170.6	0	0	0	110.5	N284 V289 A290 V302 V379	N284-I286 PolarHBondContact O-N 3.1Å; N284-I286 VanDerWaalsContact O-N 3.15Å; I286-V289 PolarHBondContact O-N 2.67Å; I286-A290 WeakPolarHBondContact O-CB 3.42Å; I286-A290 PolarHBondContact O-N 2.75Å; I286-V302 HydrophobicContact CG2-CG2 4.33Å; I286-V379 HydrophobicContact CD1-CG1 4.41Å
287	S	78.6	Confident	67.9	Low	84 Å²	84	74.2 Å²	74.2	59%	0.587	40%	0.404	S	S	*	.	H	α-helix	trans	-67	-40.1	179.8	58.5	0	0	0	0	113	N285 T291	N285-S287 PolarHBondContact O-N 2.99Å; S287-T291 WeakPolarHBondContact O-CB 3.34Å; S287-T291 PolarHBondContact O-N 3.37Å; S287-T291 PolarHBondContact O-OG1 2.93Å
288	E	82.2	Confident	69.8	Low	100 Å²	100	77.9 Å²	77.9	47%	0.467	42%	0.424	S	S	.	.	H	α-helix	trans	-65.4	-47.9	177	-176	179.8	-167.7	0	0	110	N285 T291 E292 M384	N285-E288 PolarHBondContact O-N 3.44Å; N285-E288 VanDerWaalsContact O-N 3.16Å; E288-T291 WeakPolarHBondContact O-CB 3.12Å; E288-T291 PolarHBondContact O-N 3.08Å; E288-T291 VanDerWaalsContact O-N 3.14Å; E288-E292 PolarHBondContact O-N 2.94Å; E288-M384 HydrophobicContact CG-CG 4.08Å
289	V	85.4	Confident	71.9	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-64.2	-45.1	-179.7	177.6	0	0	0	0	111.3	N285 I286 T291 E292 I293 M384 P389 L391	N285-V289 VanDerWaalsContact O-CG2 3.24Å; N285-V289 WeakPolarHBondContact O-CG2 3.48Å; N285-V289 PolarHBondContact O-N 3.12Å; I286-V289 PolarHBondContact O-N 2.67Å; V289-T291 VanDerWaalsContact C-N 3.3Å; V289-T291 PolarHBondContact O-N 3.49Å; V289-E292 PolarHBondContact O-N 3.29Å; V289-I293 HydrophobicContact CG1-CD1 4.01Å; V289-I293 VanDerWaalsContact O-CG1 3.26Å; V289-I293 WeakPolarHBondContact O-CG1 3.5Å; V289-I293 PolarHBondContact O-N 2.98Å; V289-M384 HydrophobicContact CB-SD 4.09Å; V289-M384 HydrophobicContact CG1-SD 4.32Å; V289-M384 HydrophobicContact CG2-CG 3.85Å; V289-M384 HydrophobicContact CG2-SD 3.69Å; V289-P389 HydrophobicContact CG1-CB 3.49Å; V289-P389 VanDerWaalsContact CG1-CB 3.49Å; V289-L391 HydrophobicContact CG1-CD2 3.62Å; V289-L391 HydrophobicContact CG1-CG 4.31Å
290	A	84.5	Confident	73.7	Confident	19 Å²	19	78.8 Å²	78.8	16%	0.157	42%	0.418	C	S	.	.	H	α-helix	trans	-62.7	-37.6	174.5	0	0	0	0	0	111.4	I286 I293 C294 F300	I286-A290 WeakPolarHBondContact O-CB 3.42Å; I286-A290 PolarHBondContact O-N 2.75Å; A290-I293 PolarHBondContact O-N 3.3Å; A290-C294 WeakPolarHBondContact O-CB 3.4Å; A290-C294 PolarHBondContact O-N 2.92Å; A290-C294 PolarHBondContact O-SG 3.4Å; A290-F300 HydrophobicContact CB-CE1 4.25Å
291	T	84.9	Confident	75.7	Confident	80 Å²	80	77.5 Å²	77.5	49%	0.491	42%	0.415	S	S	.	.	H	α-helix	trans	-63.6	-42.8	176.7	-58.8	0	0	0	0	111.3	S287 E288 V289 C294 K295	S287-T291 WeakPolarHBondContact O-CB 3.34Å; S287-T291 PolarHBondContact O-N 3.37Å; S287-T291 PolarHBondContact O-OG1 2.93Å; E288-T291 WeakPolarHBondContact O-CB 3.12Å; E288-T291 PolarHBondContact O-N 3.08Å; E288-T291 VanDerWaalsContact O-N 3.14Å; V289-T291 VanDerWaalsContact C-N 3.3Å; V289-T291 PolarHBondContact O-N 3.49Å; T291-C294 PolarHBondContact O-N 3.31Å; T291-K295 WeakPolarHBondContact O-CG 3.31Å; T291-K295 PolarHBondContact O-N 2.84Å
292	E	84.3	Confident	77.9	Confident	65 Å²	65	71.6 Å²	71.6	30%	0.304	39%	0.392	S	S	.	.	H	α-helix	trans	-65.9	-38.8	175.6	-65.2	-53.5	132.7	0	0	112.4	E288 V289 K295 M384	E288-E292 PolarHBondContact O-N 2.94Å; V289-E292 PolarHBondContact O-N 3.29Å; E292-K295 WeakPolarHBondContact O-CB 3.17Å; E292-K295 PolarHBondContact O-N 2.87Å; E292-K295 WeakPolarHBondContact OE1-CE 3.27Å; E292-K295 IonicContact OE1-NZ 2.88Å; E292-K295 PolarHBondContact OE1-NZ 2.81Å; E292-K295 WeakPolarHBondContact OE2-CD 3.26Å; E292-K295 WeakPolarHBondContact OE2-CE 3.48Å; E292-K295 IonicContact OE2-NZ 3.63Å; E292-K295 PolarHBondContact OE2-NZ 2.83Å; E292-M384 HydrophobicContact CB-CE 3.92Å; E292-M384 HydrophobicContact CB-SD 4.07Å; E292-M384 HydrophobicContact CG-CE 3.63Å; E292-M384 HydrophobicContact CG-SD 3.85Å
293	I	86.6	Confident	80.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-64.8	-42.9	174.3	-62.5	161.8	0	0	0	110.3	V289 A290 K295 V296 E297 F300 P389 L391 W440	V289-I293 HydrophobicContact CG1-CD1 4.01Å; V289-I293 VanDerWaalsContact O-CG1 3.26Å; V289-I293 WeakPolarHBondContact O-CG1 3.5Å; V289-I293 PolarHBondContact O-N 2.98Å; A290-I293 PolarHBondContact O-N 3.3Å; I293-K295 PolarHBondContact O-N 3.32Å; I293-V296 PolarHBondContact O-N 3.13Å; I293-E297 PolarHBondContact O-N 3.29Å; I293-F300 HydrophobicContact CB-CD1 3.92Å; I293-F300 HydrophobicContact CB-CE1 4.14Å; I293-F300 HydrophobicContact CB-CG 4.19Å; I293-F300 HydrophobicContact CD1-CD1 4.45Å; I293-F300 HydrophobicContact CD1-CE1 3.8Å; I293-F300 HydrophobicContact CD1-CE2 4.36Å; I293-F300 HydrophobicContact CD1-CZ 3.76Å; I293-F300 HydrophobicContact CG2-CB 3.81Å; I293-F300 HydrophobicContact CG2-CD1 3.58Å; I293-F300 HydrophobicContact CG2-CD2 3.52Å; I293-F300 HydrophobicContact CG2-CE1 4Å; I293-F300 HydrophobicContact CG2-CE2 3.93Å; I293-F300 HydrophobicContact CG2-CG 3.33Å; I293-F300 HydrophobicContact CG2-CZ 4.17Å; I293-P389 HydrophobicContact CD1-CB 4.02Å; I293-P389 HydrophobicContact CD1-CG 4.17Å; I293-P389 HydrophobicContact CG1-CB 3.76Å; I293-P389 HydrophobicContact CG1-CG 3.51Å; I293-L391 HydrophobicContact CD1-CD1 4.02Å; I293-L391 HydrophobicContact CD1-CG 4.41Å; I293-W440 HydrophobicContact CD1-CH2 3.99Å
294	C	86.3	Confident	82.4	Confident	51 Å²	51	67.8 Å²	67.8	35%	0.345	38%	0.375	S	S	.	.	H	α-helix	trans	-62.4	-23	178.5	-71.4	0	0	0	0	113.5	A290 T291 V296 E297	A290-C294 WeakPolarHBondContact O-CB 3.4Å; A290-C294 PolarHBondContact O-N 2.92Å; A290-C294 PolarHBondContact O-SG 3.4Å; T291-C294 PolarHBondContact O-N 3.31Å; C294-V296 VanDerWaalsContact C-N 3.29Å; C294-E297 WeakPolarHBondContact CA-O 3.46Å; C294-E297 CarbonylContact O-C 3.56Å
295	K	85.6	Confident	84.2	Confident	139 Å²	139	62.4 Å²	62.4	60%	0.604	35%	0.346	S	S	*	.	H	α-helix	trans	-67.4	-31.1	172.4	-68.6	175.9	-170	170.9	0	112.5	T291 E292 I293	T291-K295 WeakPolarHBondContact O-CG 3.31Å; T291-K295 PolarHBondContact O-N 2.84Å; E292-K295 WeakPolarHBondContact O-CB 3.17Å; E292-K295 PolarHBondContact O-N 2.87Å; E292-K295 WeakPolarHBondContact OE1-CE 3.27Å; E292-K295 IonicContact OE1-NZ 2.88Å; E292-K295 PolarHBondContact OE1-NZ 2.81Å; E292-K295 WeakPolarHBondContact OE2-CD 3.26Å; E292-K295 WeakPolarHBondContact OE2-CE 3.48Å; E292-K295 IonicContact OE2-NZ 3.63Å; E292-K295 PolarHBondContact OE2-NZ 2.83Å; I293-K295 PolarHBondContact O-N 3.32Å
296	V	83.8	Confident	85.1	Confident	59 Å²	59	60.2 Å²	60.2	36%	0.358	34%	0.335	S	S	.	.	H	α-helix	trans	-94	-40	179.5	-167.3	0	0	0	0	110.9	I293 C294 V431	I293-V296 PolarHBondContact O-N 3.13Å; C294-V296 VanDerWaalsContact C-N 3.29Å; V296-V431 HydrophobicContact CG2-CG1 4.09Å
297	E	83.7	Confident	85.6	Confident	28 Å²	28	61.9 Å²	61.9	13%	0.131	35%	0.35	C	S	.	.			trans	-124.1	95.3	180	-73.9	172.1	-144.8	0	0	110.6	I293 C294 D299 F300 R429 P436	I293-E297 PolarHBondContact O-N 3.29Å; C294-E297 WeakPolarHBondContact CA-O 3.46Å; C294-E297 CarbonylContact O-C 3.56Å; E297-D299 PolarHBondContact O-N 2.8Å; E297-D299 VanDerWaalsContact O-N 3.11Å; E297-F300 HydrophobicContact CB-CB 4.11Å; E297-F300 VanDerWaalsContact O-CB 3.27Å; E297-F300 WeakPolarHBondContact O-CB 3.42Å; E297-F300 PolarHBondContact O-N 3.28Å; E297-R429 IonicContact OE1-CZ 3.54Å; E297-R429 VanDerWaalsContact OE1-CZ 3.22Å; E297-R429 IonicContact OE1-NE 3.15Å; E297-R429 PolarHBondContact OE1-NE 3.1Å; E297-R429 IonicContact OE1-NH2 2.93Å; E297-R429 PolarHBondContact OE1-NH2 2.85Å; E297-P436 VanDerWaalsContact CD-CB 3.43Å; E297-P436 HydrophobicContact CG-CB 4.27Å; E297-P436 WeakPolarHBondContact OE1-CA 3.41Å; E297-P436 WeakPolarHBondContact OE1-CB 3.17Å; E297-P436 WeakPolarHBondContact OE2-CB 3.28Å
298	P	83.1	Confident	86	Confident	110 Å²	110	60 Å²	60	71%	0.714	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.1	-179.8	-26.7	35.7	0	0	0	114.3	F300	P298-F300 VanDerWaalsContact C-N 3.29Å; P298-F300 PolarHBondContact O-N 2.87Å
299	D	84.3	Confident	86.3	Confident	124 Å²	124	55.2 Å²	55.2	66%	0.663	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	8.5	-179.5	-67	-20.2	0	0	0	113.7	E297 T301 K304	E297-D299 PolarHBondContact O-N 2.8Å; E297-D299 VanDerWaalsContact O-N 3.11Å; D299-T301 PolarHBondContact O-N 3.46Å; D299-K304 PolarHBondContact O-NZ 3.32Å
300	F	85.6	Confident	86.3	Confident	21 Å²	21	61.1 Å²	61.1	9%	0.092	33%	0.332	C	S	.	.			trans	-70.6	130.3	-178.5	-178.9	-101.8	0	0	0	111	A290 I293 E297 P298 F305 L391 W440	A290-F300 HydrophobicContact CB-CE1 4.25Å; I293-F300 HydrophobicContact CB-CD1 3.92Å; I293-F300 HydrophobicContact CB-CE1 4.14Å; I293-F300 HydrophobicContact CB-CG 4.19Å; I293-F300 HydrophobicContact CD1-CD1 4.45Å; I293-F300 HydrophobicContact CD1-CE1 3.8Å; I293-F300 HydrophobicContact CD1-CE2 4.36Å; I293-F300 HydrophobicContact CD1-CZ 3.76Å; I293-F300 HydrophobicContact CG2-CB 3.81Å; I293-F300 HydrophobicContact CG2-CD1 3.58Å; I293-F300 HydrophobicContact CG2-CD2 3.52Å; I293-F300 HydrophobicContact CG2-CE1 4Å; I293-F300 HydrophobicContact CG2-CE2 3.93Å; I293-F300 HydrophobicContact CG2-CG 3.33Å; I293-F300 HydrophobicContact CG2-CZ 4.17Å; E297-F300 HydrophobicContact CB-CB 4.11Å; E297-F300 VanDerWaalsContact O-CB 3.27Å; E297-F300 WeakPolarHBondContact O-CB 3.42Å; E297-F300 PolarHBondContact O-N 3.28Å; P298-F300 VanDerWaalsContact C-N 3.29Å; P298-F300 PolarHBondContact O-N 2.87Å; F300-F305 HydrophobicContact CE2-CB 3.72Å; F300-F305 HydrophobicContact CE2-CD2 4.23Å; F300-F305 HydrophobicContact CE2-CG 4.04Å; F300-F305 HydrophobicContact CZ-CB 4.11Å; F300-F305 HydrophobicContact CZ-CG 4.36Å; F300-L391 HydrophobicContact CZ-CD1 4Å; F300-W440 HydrophobicContact CD2-CZ2 4.5Å; F300-W440 HydrophobicContact CE2-CH2 4.2Å; F300-W440 AromaticContact CE2-CZ2 3.82Å; F300-W440 HydrophobicContact CE2-CZ2 3.82Å
301	T	86.7	Confident	86.2	Confident	75 Å²	75	65.4 Å²	65.4	46%	0.46	36%	0.356	S	S	.	.			trans	-144.4	136.1	172.4	-40.6	0	0	0	0	108.2	D299 P303 K304 F305	D299-T301 PolarHBondContact O-N 3.46Å; T301-P303 HydrophobicContact CG2-CG 3.7Å; T301-K304 WeakPolarHBondContact O-CA 3.05Å; T301-K304 WeakPolarHBondContact O-CB 3.44Å; T301-K304 PolarHBondContact O-N 3.31Å; T301-F305 PolarHBondContact O-N 2.84Å
302	V	86.1	Confident	86.1	Confident	41 Å²	41	64 Å²	64	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-49	-50.8	-179.9	-179.1	0	0	0	0	113.3	I286 K304 F305 C306 V379	I286-V302 HydrophobicContact CG2-CG2 4.33Å; V302-K304 VanDerWaalsContact C-N 3.31Å; V302-K304 PolarHBondContact O-N 2.89Å; V302-F305 WeakPolarHBondContact O-CB 3.35Å; V302-F305 PolarHBondContact O-N 2.54Å; V302-F305 VanDerWaalsContact O-N 3.16Å; V302-C306 PolarHBondContact O-N 3.37Å; V302-C306 PolarHBondContact O-SG 3.42Å; V302-V379 HydrophobicContact CG1-CB 4.08Å; V302-V379 HydrophobicContact CG1-CG2 3.93Å
303	P	88.3	Confident	86.1	Confident	89 Å²	89	60.9 Å²	60.9	58%	0.578	33%	0.331	S	S	*	.	H	α-helix	trans	-62.8	-32.5	176.8	22.9	-36.5	0	0	0	114.2	T301 F305 C306 S307	T301-P303 HydrophobicContact CG2-CG 3.7Å; P303-F305 VanDerWaalsContact C-N 3.34Å; P303-C306 PolarHBondContact O-N 3.01Å; P303-S307 WeakPolarHBondContact O-CB 3.42Å; P303-S307 PolarHBondContact O-N 3.35Å
304	K	89.3	Confident	86	Confident	123 Å²	123	60.9 Å²	60.9	54%	0.535	33%	0.331	S	S	.	.	H	α-helix	trans	-67.5	-40.1	175.5	-173.7	-179.5	176.3	-174.5	0	110.3	D299 T301 V302 S307 H308	D299-K304 PolarHBondContact O-NZ 3.32Å; T301-K304 WeakPolarHBondContact O-CA 3.05Å; T301-K304 WeakPolarHBondContact O-CB 3.44Å; T301-K304 PolarHBondContact O-N 3.31Å; V302-K304 VanDerWaalsContact C-N 3.31Å; V302-K304 PolarHBondContact O-N 2.89Å; K304-S307 PolarHBondContact O-N 3.36Å; K304-H308 WeakPolarHBondContact O-CB 3.39Å; K304-H308 PolarHBondContact O-N 2.56Å
305	F	89.7	Confident	85.8	Confident	8 Å²	8	59.4 Å²	59.4	4%	0.035	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-47.7	172.1	176.3	-108.5	0	0	0	112	F300 T301 V302 P303 S307 H308 C309 V379 L391 V393 F427 W440	F300-F305 HydrophobicContact CE2-CB 3.72Å; F300-F305 HydrophobicContact CE2-CD2 4.23Å; F300-F305 HydrophobicContact CE2-CG 4.04Å; F300-F305 HydrophobicContact CZ-CB 4.11Å; F300-F305 HydrophobicContact CZ-CG 4.36Å; T301-F305 PolarHBondContact O-N 2.84Å; V302-F305 WeakPolarHBondContact O-CB 3.35Å; V302-F305 PolarHBondContact O-N 2.54Å; V302-F305 VanDerWaalsContact O-N 3.16Å; P303-F305 VanDerWaalsContact C-N 3.34Å; F305-S307 VanDerWaalsContact C-N 3.29Å; F305-S307 PolarHBondContact O-N 2.81Å; F305-H308 WeakPolarHBondContact O-CB 3.28Å; F305-H308 PolarHBondContact O-N 3.23Å; F305-C309 WeakPolarHBondContact CZ-SG 3.39Å; F305-C309 PolarHBondContact O-N 2.93Å; F305-C309 PolarHBondContact O-SG 2.99Å; F305-C309 VanDerWaalsContact O-SG 3.37Å; F305-V379 HydrophobicContact CD1-CG2 3.99Å; F305-V379 HydrophobicContact CE1-CG2 4.13Å; F305-L391 HydrophobicContact CD1-CD1 3.89Å; F305-L391 HydrophobicContact CE1-CB 4.27Å; F305-L391 HydrophobicContact CE1-CD1 3.63Å; F305-L391 HydrophobicContact CG-CD1 4.49Å; F305-L391 HydrophobicContact CZ-CD1 4.05Å; F305-V393 HydrophobicContact CE1-CG2 3.77Å; F305-V393 HydrophobicContact CZ-CG2 4.45Å; F305-F427 HydrophobicContact CZ-CB 4.18Å; F305-F427 HydrophobicContact CZ-CD2 4.08Å; F305-F427 HydrophobicContact CZ-CG 4.08Å; F305-W440 HydrophobicContact CD2-CD2 4.28Å; F305-W440 AromaticContact CD2-CE2 3.73Å; F305-W440 HydrophobicContact CD2-CH2 4.14Å; F305-W440 AromaticContact CD2-CZ2 3.67Å; F305-W440 HydrophobicContact CD2-CZ2 3.67Å; F305-W440 AromaticContact CE2-CD2 3.46Å; F305-W440 HydrophobicContact CE2-CD2 3.46Å; F305-W440 VanDerWaalsContact CE2-CD2 3.46Å; F305-W440 AromaticContact CE2-CE2 3.39Å; F305-W440 AromaticContact CE2-CE3 3.71Å; F305-W440 HydrophobicContact CE2-CE3 3.71Å; F305-W440 HydrophobicContact CE2-CG 4.06Å; F305-W440 AromaticContact CE2-CH2 3.79Å; F305-W440 HydrophobicContact CE2-CH2 3.79Å; F305-W440 AromaticContact CE2-CZ2 3.58Å; F305-W440 HydrophobicContact CE2-CZ2 3.58Å; F305-W440 AromaticContact CE2-CZ3 3.85Å; F305-W440 HydrophobicContact CE2-CZ3 3.85Å; F305-W440 AromaticContact CE2-NE1 3.94Å; F305-W440 HydrophobicContact CZ-CD2 4.2Å; F305-W440 AromaticContact CZ-CE3 3.99Å; F305-W440 HydrophobicContact CZ-CE3 3.99Å; F305-W440 HydrophobicContact CZ-CH2 4.15Å; F305-W440 HydrophobicContact CZ-CZ2 4.4Å; F305-W440 AromaticContact CZ-CZ3 3.94Å; F305-W440 HydrophobicContact CZ-CZ3 3.94Å
306	C	89.6	Confident	85.6	Confident	15 Å²	15	54.2 Å²	54.2	10%	0.101	30%	0.3	C	S	.	.	H	α-helix	trans	-58.5	-40.7	175.8	-62.6	0	0	0	0	112.2	V302 P303 C309 R310 V377	V302-C306 PolarHBondContact O-N 3.37Å; V302-C306 PolarHBondContact O-SG 3.42Å; P303-C306 PolarHBondContact O-N 3.01Å; C306-C309 PolarHBondContact O-N 3.15Å; C306-R310 WeakPolarHBondContact O-CB 3.41Å; C306-R310 PolarHBondContact O-N 3.11Å; C306-V377 HydrophobicContact CB-CG1 4.31Å
307	S	88.6	Confident	85.5	Confident	69 Å²	69	51.4 Å²	51.4	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-40.4	174.6	-170.6	0	0	0	0	112	P303 K304 F305 R310 T311	P303-S307 WeakPolarHBondContact O-CB 3.42Å; P303-S307 PolarHBondContact O-N 3.35Å; K304-S307 PolarHBondContact O-N 3.36Å; F305-S307 VanDerWaalsContact C-N 3.29Å; F305-S307 PolarHBondContact O-N 2.81Å; S307-R310 PolarHBondContact O-N 3.02Å; S307-T311 PolarHBondContact O-N 3.47Å; S307-T311 PolarHBondContact O-OG1 3.43Å; S307-T311 VanDerWaalsContact O-OG1 3.06Å
308	H	87.9	Confident	85.2	Confident	43 Å²	43	50.4 Å²	50.4	20%	0.199	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-43.4	176.3	179.7	55.5	0	0	0	111.9	K304 F305 R310 T311 D312	K304-H308 WeakPolarHBondContact O-CB 3.39Å; K304-H308 PolarHBondContact O-N 2.56Å; F305-H308 WeakPolarHBondContact O-CB 3.28Å; F305-H308 PolarHBondContact O-N 3.23Å; H308-R310 VanDerWaalsContact C-N 3.31Å; H308-R310 PolarHBondContact O-N 2.9Å; H308-T311 PolarHBondContact O-N 2.92Å; H308-D312 IonicContact CE1-OD2 2.83Å; H308-D312 PolarHBondContact CE1-OD2 2.88Å; H308-D312 PolarHBondContact O-N 2.78Å
309	C	87.6	Confident	84.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.266	C	S	.	.	I	π-helix	trans	-58.8	-42.9	173.3	-66.9	0	0	0	0	111.8	F305 C306 I314 V377	F305-C309 WeakPolarHBondContact CZ-SG 3.39Å; F305-C309 PolarHBondContact O-N 2.93Å; F305-C309 PolarHBondContact O-SG 2.99Å; F305-C309 VanDerWaalsContact O-SG 3.37Å; C306-C309 PolarHBondContact O-N 3.15Å; C309-I314 HydrophobicContact CB-CD1 3.89Å; C309-I314 HydrophobicContact CB-CG1 4.25Å; C309-I314 VanDerWaalsContact O-CB 3.27Å; C309-I314 WeakPolarHBondContact O-CB 3.03Å; C309-I314 VanDerWaalsContact O-CG1 3.26Å; C309-I314 WeakPolarHBondContact O-CG1 3.4Å; C309-I314 PolarHBondContact O-N 2.96Å; C309-V377 HydrophobicContact CB-CG1 4.21Å
310	R	86.2	Confident	83.1	Confident	124 Å²	124	44.9 Å²	44.9	47%	0.468	24%	0.24	S	C	.	.	I	π-helix	trans	-65.7	-39.2	179.6	-172.1	176.5	-174.7	159.6	5.2	112.9	C306 S307 H308 P315 I374 V377	C306-R310 WeakPolarHBondContact O-CB 3.41Å; C306-R310 PolarHBondContact O-N 3.11Å; S307-R310 PolarHBondContact O-N 3.02Å; H308-R310 VanDerWaalsContact C-N 3.31Å; H308-R310 PolarHBondContact O-N 2.9Å; R310-P315 WeakPolarHBondContact O-CD 3.4Å; R310-P315 WeakPolarHBondContact O-CG 3.28Å; R310-I374 PolarHBondContact NE-O 3.49Å; R310-I374 PolarHBondContact NH2-O 3.34Å; R310-V377 HydrophobicContact CB-CG2 4.19Å; R310-V377 HydrophobicContact CG-CG2 4.35Å
311	T	83	Confident	81.5	Confident	109 Å²	109	44.7 Å²	44.7	67%	0.669	24%	0.24	S	C	*	.	I	π-helix	trans	-87.7	-33.7	-172.8	-56	0	0	0	0	113.6	S307 H308	S307-T311 PolarHBondContact O-N 3.47Å; S307-T311 PolarHBondContact O-OG1 3.43Å; S307-T311 VanDerWaalsContact O-OG1 3.06Å; H308-T311 PolarHBondContact O-N 2.92Å
312	D	82	Confident	79.9	Confident	50 Å²	50	42.8 Å²	42.8	27%	0.267	23%	0.227	S	C	.	.	I	π-helix	trans	-120.3	-64.8	-167.7	-164.3	13.3	0	0	0	111.6	H308 N316	H308-D312 IonicContact CE1-OD2 2.83Å; H308-D312 PolarHBondContact CE1-OD2 2.88Å; H308-D312 PolarHBondContact O-N 2.78Å; D312-N316 VanDerWaalsContact O-CB 3.27Å; D312-N316 WeakPolarHBondContact O-CB 3.3Å; D312-N316 PolarHBondContact O-N 3.25Å; D312-N316 VanDerWaalsContact O-N 3.14Å; D312-N316 PolarHBondContact O-ND2 2.71Å; D312-N316 PolarHBondContact OD1-ND2 2.78Å
313	I	84.1	Confident	78.1	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.23	C	C	.	.	I	π-helix	trans	-69	-51.2	-166.9	-50.7	169.6	0	0	0	112.2	V317 W344 F427 W440 I442	I313-V317 HydrophobicContact CG2-CG2 4.4Å; I313-V317 WeakPolarHBondContact O-CB 3.49Å; I313-V317 VanDerWaalsContact O-CG2 3.26Å; I313-V317 WeakPolarHBondContact O-CG2 3.38Å; I313-V317 PolarHBondContact O-N 3.2Å; I313-V317 VanDerWaalsContact O-N 3.08Å; I313-W344 HydrophobicContact CG1-CH2 4.36Å; I313-W344 HydrophobicContact CG1-CZ3 3.91Å; I313-W344 HydrophobicContact CG2-CE3 4.08Å; I313-W344 HydrophobicContact CG2-CZ3 4.29Å; I313-F427 HydrophobicContact CD1-CE1 4.39Å; I313-F427 HydrophobicContact CG2-CE1 3.74Å; I313-F427 HydrophobicContact CG2-CZ 4.31Å; I313-W440 HydrophobicContact CD1-CB 4.06Å; I313-W440 HydrophobicContact CD1-CG 4.41Å; I313-I442 HydrophobicContact CG2-CD1 4.33Å
314	I	85.4	Confident	76	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-48.4	-174.8	-61.8	167.8	0	0	0	111.2	C309 N316 V317 L318 I374 V377 F395	C309-I314 HydrophobicContact CB-CD1 3.89Å; C309-I314 HydrophobicContact CB-CG1 4.25Å; C309-I314 VanDerWaalsContact O-CB 3.27Å; C309-I314 WeakPolarHBondContact O-CB 3.03Å; C309-I314 VanDerWaalsContact O-CG1 3.26Å; C309-I314 WeakPolarHBondContact O-CG1 3.4Å; C309-I314 PolarHBondContact O-N 2.96Å; I314-N316 PolarHBondContact O-N 3.15Å; I314-V317 PolarHBondContact O-N 2.99Å; I314-L318 HydrophobicContact CG2-CD1 3.57Å; I314-L318 HydrophobicContact CG2-CG 4.22Å; I314-L318 WeakPolarHBondContact O-CB 3.5Å; I314-L318 WeakPolarHBondContact O-CG 3.49Å; I314-L318 PolarHBondContact O-N 3.15Å; I314-I374 HydrophobicContact CB-CD1 4.27Å; I314-I374 HydrophobicContact CG2-CD1 3.68Å; I314-I374 HydrophobicContact CG2-CG1 4.32Å; I314-I374 HydrophobicContact CG2-CG2 4.32Å; I314-V377 HydrophobicContact CD1-CG1 4.05Å; I314-V377 HydrophobicContact CD1-CG2 4.13Å; I314-F395 HydrophobicContact CD1-CD1 3.68Å; I314-F395 HydrophobicContact CD1-CD2 4.47Å; I314-F395 HydrophobicContact CD1-CE1 3.85Å; I314-F395 HydrophobicContact CD1-CG 4Å; I314-F395 HydrophobicContact CD1-CZ 4.32Å; I314-F395 HydrophobicContact CG1-CD1 4.44Å; I314-F395 HydrophobicContact CG1-CE1 4.11Å; I314-F395 HydrophobicContact CG1-CZ 4.3Å; I314-F395 HydrophobicContact CG2-CD2 4.16Å; I314-F395 HydrophobicContact CG2-CE1 4.35Å; I314-F395 HydrophobicContact CG2-CE2 3.65Å; I314-F395 HydrophobicContact CG2-CZ 3.75Å
315	P	82	Confident	73.7	Confident	19 Å²	19	46.5 Å²	46.5	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-46.8	175.9	-23.6	33.7	0	0	0	112.2	R310 V317 L318 E319 I374	R310-P315 WeakPolarHBondContact O-CD 3.4Å; R310-P315 WeakPolarHBondContact O-CG 3.28Å; P315-V317 VanDerWaalsContact C-N 3.31Å; P315-V317 PolarHBondContact O-N 2.92Å; P315-L318 PolarHBondContact O-N 3.4Å; P315-E319 WeakPolarHBondContact O-CB 3.07Å; P315-E319 VanDerWaalsContact O-CG 3.31Å; P315-E319 WeakPolarHBondContact O-CG 3.49Å; P315-E319 PolarHBondContact O-N 2.91Å; P315-I374 HydrophobicContact CG-CD1 3.82Å
316	N	81.2	Confident	70.9	Confident	31 Å²	31	54.4 Å²	54.4	17%	0.166	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-37.7	-178.8	-72.7	-31.9	0	0	0	112.8	D312 I314 V320	D312-N316 VanDerWaalsContact O-CB 3.27Å; D312-N316 WeakPolarHBondContact O-CB 3.3Å; D312-N316 PolarHBondContact O-N 3.25Å; D312-N316 VanDerWaalsContact O-N 3.14Å; D312-N316 PolarHBondContact O-ND2 2.71Å; D312-N316 PolarHBondContact OD1-ND2 2.78Å; I314-N316 PolarHBondContact O-N 3.15Å; N316-V320 WeakPolarHBondContact O-CB 3.42Å; N316-V320 WeakPolarHBondContact O-CG2 3.46Å
317	V	80.6	Confident	68.1	Low	0 Å²	0	60 Å²	60	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-76.5	-35.3	-179.6	173.8	0	0	0	0	111.8	I313 I314 P315 N321 W344 L353 F425 I442	I313-V317 HydrophobicContact CG2-CG2 4.4Å; I313-V317 WeakPolarHBondContact O-CB 3.49Å; I313-V317 VanDerWaalsContact O-CG2 3.26Å; I313-V317 WeakPolarHBondContact O-CG2 3.38Å; I313-V317 PolarHBondContact O-N 3.2Å; I313-V317 VanDerWaalsContact O-N 3.08Å; I314-V317 PolarHBondContact O-N 2.99Å; P315-V317 VanDerWaalsContact C-N 3.31Å; P315-V317 PolarHBondContact O-N 2.92Å; V317-N321 PolarHBondContact O-ND2 2.86Å; V317-W344 HydrophobicContact CG2-CB 3.83Å; V317-W344 HydrophobicContact CG2-CG 4.03Å; V317-L353 HydrophobicContact CG1-CD1 3.88Å; V317-F425 HydrophobicContact CG1-CE2 4.28Å; V317-I442 HydrophobicContact CB-CD1 4.27Å; V317-I442 HydrophobicContact CG1-CD1 3.98Å; V317-I442 HydrophobicContact CG2-CD1 3.71Å
318	L	77.1	Confident	65.7	Low	6 Å²	6	65.2 Å²	65.2	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-86.6	-39.7	-178.7	-66.4	-179.4	0	0	0	113.5	I314 P315 V320 N321 L371 F395 T397 F425	I314-L318 HydrophobicContact CG2-CD1 3.57Å; I314-L318 HydrophobicContact CG2-CG 4.22Å; I314-L318 WeakPolarHBondContact O-CB 3.5Å; I314-L318 WeakPolarHBondContact O-CG 3.49Å; I314-L318 PolarHBondContact O-N 3.15Å; P315-L318 PolarHBondContact O-N 3.4Å; L318-V320 VanDerWaalsContact C-N 3.3Å; L318-V320 PolarHBondContact O-N 2.83Å; L318-N321 WeakPolarHBondContact O-CA 3.46Å; L318-N321 VanDerWaalsContact O-CB 3.27Å; L318-N321 WeakPolarHBondContact O-CB 3.1Å; L318-N321 PolarHBondContact O-N 3.12Å; L318-L371 HydrophobicContact CB-CD2 4.19Å; L318-F395 HydrophobicContact CD1-CE2 3.81Å; L318-F395 HydrophobicContact CD1-CZ 4.26Å; L318-T397 HydrophobicContact CD1-CG2 3.79Å; L318-F425 HydrophobicContact CD2-CZ 4.21Å
319	E	67.3	Low	62.9	Low	98 Å²	98	74.4 Å²	74.4	46%	0.458	34%	0.341	S	S	.	.	H	α-helix	trans	-68.2	-29.7	179.1	-71.9	-170.9	175.6	0	0	112.3	P315 N321 D322 L371	P315-E319 WeakPolarHBondContact O-CB 3.07Å; P315-E319 VanDerWaalsContact O-CG 3.31Å; P315-E319 WeakPolarHBondContact O-CG 3.49Å; P315-E319 PolarHBondContact O-N 2.91Å; E319-N321 PolarHBondContact O-N 3.33Å; E319-N321 VanDerWaalsContact O-N 3.12Å; E319-D322 WeakPolarHBondContact O-CA 3.27Å; E319-D322 WeakPolarHBondContact O-CB 3.01Å; E319-D322 PolarHBondContact O-N 2.91Å; E319-L371 HydrophobicContact CG-CD2 4.28Å
320	V	56.3	Low	60.2	Low	20 Å²	20	80.7 Å²	80.7	12%	0.121	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.1	171.5	168.7	0	0	0	0	111.7	N316 L318 E337 I340 V341	N316-V320 WeakPolarHBondContact O-CB 3.42Å; N316-V320 WeakPolarHBondContact O-CG2 3.46Å; L318-V320 VanDerWaalsContact C-N 3.3Å; L318-V320 PolarHBondContact O-N 2.83Å; V320-E337 HydrophobicContact CG1-CB 3.7Å; V320-E337 WeakPolarHBondContact CG1-O 3.41Å; V320-I340 HydrophobicContact CG2-CB 4.43Å; V320-I340 HydrophobicContact CG2-CG2 4.29Å; V320-V341 HydrophobicContact CB-CG2 3.94Å; V320-V341 HydrophobicContact CG1-CG2 3.3Å
321	N	53.6	Low	57.5	Low	18 Å²	18	83.6 Å²	83.6	10%	0.096	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.2	172.1	-63	-53.8	0	0	0	113.4	V317 L318 E319 C323 F357	V317-N321 PolarHBondContact O-ND2 2.86Å; L318-N321 WeakPolarHBondContact O-CA 3.46Å; L318-N321 VanDerWaalsContact O-CB 3.27Å; L318-N321 WeakPolarHBondContact O-CB 3.1Å; L318-N321 PolarHBondContact O-N 3.12Å; E319-N321 PolarHBondContact O-N 3.33Å; E319-N321 VanDerWaalsContact O-N 3.12Å; N321-C323 PolarHBondContact O-N 3.37Å; N321-F357 HydrophobicContact CB-CE2 3.77Å; N321-F357 HydrophobicContact CB-CZ 3.61Å; N321-F357 VanDerWaalsContact OD1-CE2 3.31Å; N321-F357 WeakPolarHBondContact OD1-CE2 3.47Å
322	D	51.3	Low	54.8	Low	35 Å²	35	81.7 Å²	81.7	19%	0.187	38%	0.38	C	S	.	.			trans	-91.8	96.8	-177.5	-79.6	-25.2	0	0	0	113.1	E319 R324 A369 Q370 L371	E319-D322 WeakPolarHBondContact O-CA 3.27Å; E319-D322 WeakPolarHBondContact O-CB 3.01Å; E319-D322 PolarHBondContact O-N 2.91Å; D322-R324 PolarHBondContact O-N 3.47Å; D322-R324 VanDerWaalsContact O-N 3.15Å; D322-A369 CarbonylContact C-O 3.59Å; D322-A369 WeakPolarHBondContact CA-O 3.33Å; D322-A369 VanDerWaalsContact CB-O 3.25Å; D322-A369 WeakPolarHBondContact CB-O 3.3Å; D322-A369 VanDerWaalsContact CG-C 3.46Å; D322-A369 WeakPolarHBondContact OD1-CA 3.31Å; D322-A369 WeakPolarHBondContact OD1-CB 3.27Å; D322-A369 VanDerWaalsContact OD1-O 3.05Å; D322-Q370 VanDerWaalsContact CG-CA 3.46Å; D322-Q370 WeakPolarHBondContact OD1-CA 3.24Å; D322-Q370 PolarHBondContact OD1-N 3.25Å; D322-L371 WeakPolarHBondContact OD2-CB 3.2Å; D322-L371 PolarHBondContact OD2-N 3.06Å
323	C	49.8	Very low	52.2	Low	45 Å²	45	81.3 Å²	81.3	30%	0.304	38%	0.38	S	S	.	.			trans	-85	75.2	-179.3	-163.8	0	0	0	0	111.5	N321 F334 V367	N321-C323 PolarHBondContact O-N 3.37Å; C323-F334 HydrophobicContact CB-CE2 3.84Å; C323-F334 HydrophobicContact CB-CZ 3.65Å; C323-F334 WeakPolarHBondContact SG-CE2 3.41Å; C323-F334 VanDerWaalsContact SG-CZ 3.52Å; C323-V367 VanDerWaalsContact CB-O 3.23Å; C323-V367 WeakPolarHBondContact CB-O 3.36Å
324	R	44.4	Very low	49.7	Very low	91 Å²	91	84.7 Å²	84.7	34%	0.343	40%	0.395	S	S	.	.			trans	-143.9	9.2	176	-116.6	-177.8	-169.1	-164.4	6.8	119.6	D322 E368 S415	D322-R324 PolarHBondContact O-N 3.47Å; D322-R324 VanDerWaalsContact O-N 3.15Å; R324-E368 HydrophobicContact CG-CB 4.22Å; R324-E368 HydrophobicContact CG-CG 4.28Å; R324-E368 IonicContact CZ-OE2 2.84Å; R324-E368 VanDerWaalsContact CZ-OE2 3.23Å; R324-E368 IonicContact NE-OE2 2.72Å; R324-E368 PolarHBondContact NE-OE2 3.45Å; R324-E368 IonicContact NH2-OE2 2.71Å; R324-E368 PolarHBondContact NH2-OE2 3.48Å; R324-S415 PolarHBondContact NH1-OG 3.08Å; R324-S415 VanDerWaalsContact NH1-OG 3.15Å; R324-S415 PolarHBondContact NH2-OG 2.88Å
325	R	39.4	Very low	47.2	Very low	195 Å²	195	94.4 Å²	94.4	74%	0.736	43%	0.431	S	S	*	.	S	Bend	trans	-105.3	98.3	172.7	-106	174.9	176.9	157	-0.6	113.3
326	F	31.5	Very low	45.2	Very low	173 Å²	173	95.2 Å²	95.2	76%	0.759	44%	0.443	S	S	*	.	S	Bend	trans	75.7	105.2	149.2	-94.8	-105.4	0	0	0	120.7
327	N	31.2	Very low	44	Very low	132 Å²	132	97 Å²	97	71%	0.706	45%	0.45	S	S	*	.			trans	51.4	137.3	146.6	-80.2	-29.5	0	0	0	121.1	R329 F330	N327-R329 PolarHBondContact O-N 3.3Å; N327-F330 PolarHBondContact O-N 3.31Å
328	E	38.6	Very low	43.3	Very low	180 Å²	180	99.6 Å²	99.6	84%	0.841	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-25.9	-18	178.1	-74.9	177.1	137.3	0	0	121
329	R	29.3	Very low	43.1	Very low	235 Å²	235	104.4 Å²	104.4	89%	0.887	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-78.7	-20.1	177.6	-76.1	-178	171.9	153.2	-1.5	114.1	N327	N327-R329 PolarHBondContact O-N 3.3Å
330	F	30.4	Very low	43.4	Very low	133 Å²	133	103 Å²	103	58%	0.583	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-94.9	18.4	-179.3	-93.2	-122.4	0	0	0	114	N327 A332 V333	N327-F330 PolarHBondContact O-N 3.31Å; F330-A332 PolarHBondContact O-N 3.29Å; F330-V333 HydrophobicContact CB-CB 4.13Å; F330-V333 HydrophobicContact CB-CG2 4.1Å; F330-V333 HydrophobicContact CD1-CB 3.34Å; F330-V333 HydrophobicContact CD1-CG1 3.64Å; F330-V333 HydrophobicContact CD1-CG2 2.96Å; F330-V333 HydrophobicContact CD2-CG2 4.41Å; F330-V333 HydrophobicContact CE1-CB 3.99Å; F330-V333 HydrophobicContact CE1-CG1 4.03Å; F330-V333 HydrophobicContact CE1-CG2 3.25Å; F330-V333 HydrophobicContact CG-CB 4.04Å; F330-V333 HydrophobicContact CG-CG2 3.58Å; F330-V333 HydrophobicContact CZ-CG2 4.1Å; F330-V333 PolarHBondContact O-N 3.11Å
331	K	29.8	Very low	44.4	Very low	185 Å²	185	102.1 Å²	102.1	80%	0.804	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-53.6	-17.8	163.3	-104.1	178.5	178.6	172	0	113.1
332	A	25.2	Very low	45.8	Very low	69 Å²	69	106.9 Å²	106.9	57%	0.57	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-81.2	-14.8	172.3	0	0	0	0	0	114.4	F330 R335	F330-A332 PolarHBondContact O-N 3.29Å; A332-R335 WeakPolarHBondContact O-CB 3.45Å; A332-R335 PolarHBondContact O-N 3.31Å
333	V	27.8	Very low	47.4	Very low	41 Å²	41	110.8 Å²	110.8	25%	0.248	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-24.2	-167.4	173	0	0	0	0	114.4	F330 R335 G336 E337	F330-V333 HydrophobicContact CB-CB 4.13Å; F330-V333 HydrophobicContact CB-CG2 4.1Å; F330-V333 HydrophobicContact CD1-CB 3.34Å; F330-V333 HydrophobicContact CD1-CG1 3.64Å; F330-V333 HydrophobicContact CD1-CG2 2.96Å; F330-V333 HydrophobicContact CD2-CG2 4.41Å; F330-V333 HydrophobicContact CE1-CB 3.99Å; F330-V333 HydrophobicContact CE1-CG1 4.03Å; F330-V333 HydrophobicContact CE1-CG2 3.25Å; F330-V333 HydrophobicContact CG-CB 4.04Å; F330-V333 HydrophobicContact CG-CG2 3.58Å; F330-V333 HydrophobicContact CZ-CG2 4.1Å; F330-V333 PolarHBondContact O-N 3.11Å; V333-R335 PolarHBondContact O-N 3.03Å; V333-G336 PolarHBondContact O-N 2.84Å; V333-E337 HydrophobicContact CG1-CG 4.29Å; V333-E337 WeakPolarHBondContact CG1-OE1 3.42Å; V333-E337 PolarHBondContact O-N 3.27Å
334	F	31.5	Very low	49	Very low	73 Å²	73	110.9 Å²	110.9	32%	0.32	51%	0.511	S	S	.	.	H	α-helix	trans	-58.8	-17.7	159.3	-100.3	-87.5	0	0	0	113.5	C323 G336	C323-F334 HydrophobicContact CB-CE2 3.84Å; C323-F334 HydrophobicContact CB-CZ 3.65Å; C323-F334 WeakPolarHBondContact SG-CE2 3.41Å; C323-F334 VanDerWaalsContact SG-CZ 3.52Å; F334-G336 VanDerWaalsContact C-N 3.35Å
335	R	33.9	Very low	50.8	Low	203 Å²	203	106.8 Å²	106.8	77%	0.766	50%	0.496	S	S	*	.	H	α-helix	trans	-78.7	-16.6	173.2	-69.2	-174.1	174.2	-151.8	-1.8	113.3	A332 V333	A332-R335 WeakPolarHBondContact O-CB 3.45Å; A332-R335 PolarHBondContact O-N 3.31Å; V333-R335 PolarHBondContact O-N 3.03Å
336	G	39.4	Very low	53	Low	37 Å²	37	98.1 Å²	98.1	38%	0.381	47%	0.465	S	S	.	.	H	α-helix	trans	-104.4	-22	-177.4	0	0	0	0	0	114.8	V333 F334	V333-G336 PolarHBondContact O-N 2.84Å; F334-G336 VanDerWaalsContact C-N 3.35Å
337	E	56.7	Low	55.5	Low	67 Å²	67	93.9 Å²	93.9	31%	0.313	45%	0.45	S	S	.	.	H	α-helix	trans	-91.4	-22.6	-173.5	-60.8	173	170.3	0	0	113.1	V320 V333 E339 I340 V341	V320-E337 HydrophobicContact CG1-CB 3.7Å; V320-E337 WeakPolarHBondContact CG1-O 3.41Å; V333-E337 HydrophobicContact CG1-CG 4.29Å; V333-E337 WeakPolarHBondContact CG1-OE1 3.42Å; V333-E337 PolarHBondContact O-N 3.27Å; E337-E339 PolarHBondContact O-N 2.72Å; E337-I340 HydrophobicContact CB-CD1 4.4Å; E337-I340 HydrophobicContact CG-CD1 4.33Å; E337-I340 WeakPolarHBondContact O-CB 3.34Å; E337-I340 PolarHBondContact O-N 2.83Å; E337-V341 PolarHBondContact O-N 2.89Å
338	L	65	Low	58	Low	56 Å²	56	89.9 Å²	89.9	29%	0.293	44%	0.435	S	S	.	.	H	α-helix	trans	-59.3	-28.8	168.1	-73.9	167.4	0	0	0	112	I340 V341 K342 Y350 T354	L338-I340 VanDerWaalsContact C-N 3.3Å; L338-V341 PolarHBondContact O-N 3.44Å; L338-K342 WeakPolarHBondContact O-CB 3.43Å; L338-K342 PolarHBondContact O-N 2.62Å; L338-K342 VanDerWaalsContact O-N 3.07Å; L338-Y350 HydrophobicContact CD2-CE2 4.32Å; L338-Y350 WeakPolarHBondContact O-CE2 3.47Å; L338-T354 HydrophobicContact CD2-CG2 3.77Å
339	E	72.5	Confident	60	Low	106 Å²	106	81.3 Å²	81.3	50%	0.495	40%	0.395	S	S	.	.	H	α-helix	trans	-64.6	-36.6	173.6	-59	-173.5	174.6	0	0	111.1	E337 K342 D343	E337-E339 PolarHBondContact O-N 2.72Å; E339-K342 WeakPolarHBondContact O-CB 3.26Å; E339-K342 PolarHBondContact O-N 2.97Å; E339-D343 PolarHBondContact O-N 3.21Å
340	I	74.2	Confident	62.6	Low	70 Å²	70	72.8 Å²	72.8	36%	0.359	36%	0.364	S	S	.	.	H	α-helix	trans	-65.5	-47	177.9	-56.5	172.5	0	0	0	110.1	V320 E337 L338 K342 D343 W344	V320-I340 HydrophobicContact CG2-CB 4.43Å; V320-I340 HydrophobicContact CG2-CG2 4.29Å; E337-I340 HydrophobicContact CB-CD1 4.4Å; E337-I340 HydrophobicContact CG-CD1 4.33Å; E337-I340 WeakPolarHBondContact O-CB 3.34Å; E337-I340 PolarHBondContact O-N 2.83Å; L338-I340 VanDerWaalsContact C-N 3.3Å; I340-K342 PolarHBondContact O-N 3.4Å; I340-D343 PolarHBondContact O-N 3.17Å; I340-D343 VanDerWaalsContact O-N 3.11Å; I340-W344 PolarHBondContact O-N 2.87Å
341	V	77.7	Confident	65.2	Low	1 Å²	1	69 Å²	69	1%	0.006	36%	0.357	C	S	.	.	H	α-helix	trans	-61.3	-36.6	176.9	-172.9	0	0	0	0	110.8	V320 E337 L338 D343 W344 C345 Y350 L353	V320-V341 HydrophobicContact CB-CG2 3.94Å; V320-V341 HydrophobicContact CG1-CG2 3.3Å; E337-V341 PolarHBondContact O-N 2.89Å; L338-V341 PolarHBondContact O-N 3.44Å; V341-D343 VanDerWaalsContact C-N 3.31Å; V341-D343 PolarHBondContact O-N 2.83Å; V341-W344 PolarHBondContact O-N 2.88Å; V341-C345 WeakPolarHBondContact O-CB 3.5Å; V341-C345 PolarHBondContact O-N 2.94Å; V341-C345 PolarHBondContact O-SG 3.33Å; V341-C345 VanDerWaalsContact O-SG 3.33Å; V341-Y350 HydrophobicContact CB-CD2 4.24Å; V341-Y350 HydrophobicContact CB-CE2 4.39Å; V341-Y350 HydrophobicContact CG1-CD2 4.05Å; V341-L353 HydrophobicContact CG1-CD1 4.07Å
342	K	82.1	Confident	67.5	Low	117 Å²	117	63.6 Å²	63.6	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-65.4	-32.4	177.2	-169.2	-178.5	178.8	-175.1	0	112.7	L338 E339 I340 Y350	L338-K342 WeakPolarHBondContact O-CB 3.43Å; L338-K342 PolarHBondContact O-N 2.62Å; L338-K342 VanDerWaalsContact O-N 3.07Å; E339-K342 WeakPolarHBondContact O-CB 3.26Å; E339-K342 PolarHBondContact O-N 2.97Å; I340-K342 PolarHBondContact O-N 3.4Å; K342-Y350 HydrophobicContact CB-CD2 4.16Å; K342-Y350 HydrophobicContact CB-CE2 4.15Å
343	D	84.1	Confident	69.9	Low	117 Å²	117	61.2 Å²	61.2	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-70.8	-37.8	176.9	-69.9	-19.9	0	0	0	111.8	E339 I340 V341	E339-D343 PolarHBondContact O-N 3.21Å; I340-D343 PolarHBondContact O-N 3.17Å; I340-D343 VanDerWaalsContact O-N 3.11Å; V341-D343 VanDerWaalsContact C-N 3.31Å; V341-D343 PolarHBondContact O-N 2.83Å
344	W	83.6	Confident	72.2	Confident	48 Å²	48	59.8 Å²	59.8	18%	0.182	30%	0.303	C	S	.	.	H	α-helix	trans	-80.6	-29.3	178.9	-69	107.8	0	0	0	114.3	I313 V317 I340 V341 K441 I442	I313-W344 HydrophobicContact CG1-CH2 4.36Å; I313-W344 HydrophobicContact CG1-CZ3 3.91Å; I313-W344 HydrophobicContact CG2-CE3 4.08Å; I313-W344 HydrophobicContact CG2-CZ3 4.29Å; V317-W344 HydrophobicContact CG2-CB 3.83Å; V317-W344 HydrophobicContact CG2-CG 4.03Å; I340-W344 PolarHBondContact O-N 2.87Å; V341-W344 PolarHBondContact O-N 2.88Å; W344-K441 WeakPolarHBondContact O-CA 3.21Å; W344-I442 PolarHBondContact O-N 2.91Å
345	C	84	Confident	74.4	Confident	5 Å²	5	61.2 Å²	61.2	3%	0.034	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-105	151.2	-172.9	-61.9	0	0	0	0	112.5	V341 A349	V341-C345 WeakPolarHBondContact O-CB 3.5Å; V341-C345 PolarHBondContact O-N 2.94Å; V341-C345 PolarHBondContact O-SG 3.33Å; V341-C345 VanDerWaalsContact O-SG 3.33Å; C345-A349 HydrophobicContact CB-CB 3.94Å
346	T	85.2	Confident	76.4	Confident	12 Å²	12	55.5 Å²	55.5	7%	0.074	29%	0.29	C	S	.	.			trans	-70.9	160.2	158.4	57.2	0	0	0	0	111	A348 A349 Y350 I442 M443	T346-A348 PolarHBondContact O-N 3.33Å; T346-A348 VanDerWaalsContact O-N 3.09Å; T346-A349 PolarHBondContact O-N 2.86Å; T346-A349 VanDerWaalsContact O-N 3.14Å; T346-Y350 WeakPolarHBondContact O-CB 3.25Å; T346-Y350 PolarHBondContact O-N 3.36Å; T346-I442 PolarHBondContact N-O 3.14Å; T346-I442 PolarHBondContact OG1-O 2.75Å; T346-M443 HydrophobicContact CG2-CE 4.21Å; T346-M443 HydrophobicContact CG2-SD 3.34Å; T346-M443 WeakPolarHBondContact CG2-SD 3.07Å; T346-M443 WeakPolarHBondContact OG1-CA 3.43Å; T346-M443 PolarHBondContact OG1-O 3.12Å
347	D	83.8	Confident	78	Confident	84 Å²	84	56 Å²	56	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-53.3	-34.5	179	-74.3	-20.3	0	0	0	112.8	A351	D347-A351 WeakPolarHBondContact O-CB 3.09Å; D347-A351 PolarHBondContact O-N 2.96Å
348	A	82.8	Confident	78.9	Confident	48 Å²	48	56.3 Å²	56.3	40%	0.397	29%	0.288	S	S	.	.	H	α-helix	trans	-67.4	-52.5	177.6	0	0	0	0	0	112.2	T346 Y350 A351 Q352	T346-A348 PolarHBondContact O-N 3.33Å; T346-A348 VanDerWaalsContact O-N 3.09Å; A348-Y350 VanDerWaalsContact C-N 3.31Å; A348-Y350 PolarHBondContact O-N 2.77Å; A348-A351 PolarHBondContact O-N 3.23Å; A348-Q352 WeakPolarHBondContact O-CG 3.2Å; A348-Q352 PolarHBondContact O-N 2.69Å
349	A	81.6	Confident	79.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-39.8	175.4	0	0	0	0	0	111.9	C345 T346 A351 Q352 L353 I442 M443	C345-A349 HydrophobicContact CB-CB 3.94Å; T346-A349 PolarHBondContact O-N 2.86Å; T346-A349 VanDerWaalsContact O-N 3.14Å; A349-A351 PolarHBondContact O-N 2.8Å; A349-Q352 PolarHBondContact O-N 3.04Å; A349-L353 PolarHBondContact O-N 3.48Å; A349-I442 HydrophobicContact CB-CG2 4Å; A349-I442 WeakPolarHBondContact CB-O 3.41Å; A349-M443 WeakPolarHBondContact CB-O 3.03Å
350	Y	83.4	Confident	79.7	Confident	57 Å²	57	53.9 Å²	53.9	22%	0.224	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-46.2	176.5	177.1	-97	0	0	0	111.2	L338 V341 K342 T346 A348 Q352 L353 T354	L338-Y350 HydrophobicContact CD2-CE2 4.32Å; L338-Y350 WeakPolarHBondContact O-CE2 3.47Å; V341-Y350 HydrophobicContact CB-CD2 4.24Å; V341-Y350 HydrophobicContact CB-CE2 4.39Å; V341-Y350 HydrophobicContact CG1-CD2 4.05Å; K342-Y350 HydrophobicContact CB-CD2 4.16Å; K342-Y350 HydrophobicContact CB-CE2 4.15Å; T346-Y350 WeakPolarHBondContact O-CB 3.25Å; T346-Y350 PolarHBondContact O-N 3.36Å; A348-Y350 VanDerWaalsContact C-N 3.31Å; A348-Y350 PolarHBondContact O-N 2.77Å; Y350-Q352 VanDerWaalsContact C-N 3.34Å; Y350-Q352 PolarHBondContact O-N 2.71Å; Y350-L353 PolarHBondContact O-N 3.3Å; Y350-T354 HydrophobicContact CD1-CG2 4.33Å; Y350-T354 HydrophobicContact CD2-CG2 3.93Å; Y350-T354 HydrophobicContact CE1-CG2 4.01Å; Y350-T354 HydrophobicContact CE2-CG2 3.57Å; Y350-T354 HydrophobicContact CG-CG2 4.3Å; Y350-T354 VanDerWaalsContact O-CB 3.31Å; Y350-T354 WeakPolarHBondContact O-CB 3.35Å; Y350-T354 VanDerWaalsContact O-CG2 3.27Å; Y350-T354 WeakPolarHBondContact O-CG2 3.39Å; Y350-T354 PolarHBondContact O-N 2.73Å; Y350-T354 PolarHBondContact O-OG1 3.23Å
351	A	84.2	Confident	79.7	Confident	53 Å²	53	57.3 Å²	57.3	44%	0.438	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-41.4	176	0	0	0	0	0	112	D347 A348 A349 T354 H355	D347-A351 WeakPolarHBondContact O-CB 3.09Å; D347-A351 PolarHBondContact O-N 2.96Å; A348-A351 PolarHBondContact O-N 3.23Å; A349-A351 PolarHBondContact O-N 2.8Å; A351-T354 PolarHBondContact O-N 3.3Å; A351-H355 WeakPolarHBondContact O-CB 3.33Å; A351-H355 PolarHBondContact O-N 3.26Å
352	Q	78.4	Confident	79.8	Confident	71 Å²	71	61.5 Å²	61.5	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-37.7	177.2	-72	178.2	-2.6	0	0	113.2	A348 A349 Y350 H355 V445	A348-Q352 WeakPolarHBondContact O-CG 3.2Å; A348-Q352 PolarHBondContact O-N 2.69Å; A349-Q352 PolarHBondContact O-N 3.04Å; Y350-Q352 VanDerWaalsContact C-N 3.34Å; Y350-Q352 PolarHBondContact O-N 2.71Å; Q352-H355 PolarHBondContact O-CE1 3.1Å; Q352-H355 PolarHBondContact O-ND1 3.49Å; Q352-V445 PolarHBondContact OE1-O 3.4Å; Q352-V445 VanDerWaalsContact OE1-O 3.11Å
353	L	76.2	Confident	79.7	Confident	19 Å²	19	59.5 Å²	59.5	10%	0.099	33%	0.327	C	S	.	.	H	α-helix	trans	-74.4	-39.7	176.3	-73.3	172.2	0	0	0	111.4	V317 V341 A349 Y350 F357 V445	V317-L353 HydrophobicContact CG1-CD1 3.88Å; V341-L353 HydrophobicContact CG1-CD1 4.07Å; A349-L353 PolarHBondContact O-N 3.48Å; Y350-L353 PolarHBondContact O-N 3.3Å; L353-F357 WeakPolarHBondContact O-CD2 3.25Å; L353-V445 HydrophobicContact CD1-CG2 4.18Å; L353-V445 HydrophobicContact CD2-CB 4.28Å; L353-V445 HydrophobicContact CD2-CG1 3.91Å; L353-V445 HydrophobicContact CD2-CG2 4.24Å; L353-V445 HydrophobicContact CG-CB 4.47Å; L353-V445 HydrophobicContact CG-CG2 4.18Å
354	T	76	Confident	79.5	Confident	12 Å²	12	55.7 Å²	55.7	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-81.7	-26.6	-172.8	56.4	0	0	0	0	114.5	L338 Y350 A351 Y356 F357 T358	L338-T354 HydrophobicContact CD2-CG2 3.77Å; Y350-T354 HydrophobicContact CD1-CG2 4.33Å; Y350-T354 HydrophobicContact CD2-CG2 3.93Å; Y350-T354 HydrophobicContact CE1-CG2 4.01Å; Y350-T354 HydrophobicContact CE2-CG2 3.57Å; Y350-T354 HydrophobicContact CG-CG2 4.3Å; Y350-T354 VanDerWaalsContact O-CB 3.31Å; Y350-T354 WeakPolarHBondContact O-CB 3.35Å; Y350-T354 VanDerWaalsContact O-CG2 3.27Å; Y350-T354 WeakPolarHBondContact O-CG2 3.39Å; Y350-T354 PolarHBondContact O-N 2.73Å; Y350-T354 PolarHBondContact O-OG1 3.23Å; A351-T354 PolarHBondContact O-N 3.3Å; T354-Y356 VanDerWaalsContact C-N 3.25Å; T354-Y356 PolarHBondContact O-N 2.81Å; T354-Y356 VanDerWaalsContact O-N 3.15Å; T354-F357 PolarHBondContact O-N 3.17Å; T354-T358 WeakPolarHBondContact O-CG2 3.34Å; T354-T358 PolarHBondContact O-N 3.33Å; T354-T358 PolarHBondContact O-OG1 3.28Å
355	H	77.6	Confident	79.3	Confident	103 Å²	103	57.7 Å²	57.7	48%	0.477	32%	0.324	S	S	.	.	H	α-helix	trans	-52.3	-43.9	-174.7	80.3	-76.4	0	0	0	112.6	A351 Q352 F357 T358 D359	A351-H355 WeakPolarHBondContact O-CB 3.33Å; A351-H355 PolarHBondContact O-N 3.26Å; Q352-H355 PolarHBondContact O-CE1 3.1Å; Q352-H355 PolarHBondContact O-ND1 3.49Å; H355-F357 PolarHBondContact O-N 2.65Å; H355-T358 VanDerWaalsContact CA-OG1 3.28Å; H355-T358 WeakPolarHBondContact CA-OG1 3.24Å; H355-T358 PolarHBondContact O-N 2.81Å; H355-T358 PolarHBondContact O-OG1 2.85Å; H355-D359 WeakPolarHBondContact O-CB 3.34Å; H355-D359 PolarHBondContact O-N 3.13Å
356	Y	75.1	Confident	78.9	Confident	82 Å²	82	61.3 Å²	61.3	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-44.4	-179.7	176.1	-101.2	0	0	0	111.7	T354 C360 V367 V403	T354-Y356 VanDerWaalsContact C-N 3.25Å; T354-Y356 PolarHBondContact O-N 2.81Å; T354-Y356 VanDerWaalsContact O-N 3.15Å; Y356-C360 WeakPolarHBondContact O-CB 3.41Å; Y356-C360 PolarHBondContact O-N 3.15Å; Y356-C360 PolarHBondContact O-SG 2.99Å; Y356-V367 HydrophobicContact CE1-CG1 4.21Å; Y356-V403 WeakPolarHBondContact OH-CG2 3.49Å
357	F	74	Confident	78.4	Confident	49 Å²	49	61.6 Å²	61.6	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-72.2	-36.5	179	-64	-71.8	0	0	0	112.2	N321 L353 T354 H355 D359 K361 V367	N321-F357 HydrophobicContact CB-CE2 3.77Å; N321-F357 HydrophobicContact CB-CZ 3.61Å; N321-F357 VanDerWaalsContact OD1-CE2 3.31Å; N321-F357 WeakPolarHBondContact OD1-CE2 3.47Å; L353-F357 WeakPolarHBondContact O-CD2 3.25Å; T354-F357 PolarHBondContact O-N 3.17Å; H355-F357 PolarHBondContact O-N 2.65Å; F357-D359 VanDerWaalsContact C-N 3.34Å; F357-K361 WeakPolarHBondContact O-CB 3.38Å; F357-K361 PolarHBondContact O-N 3.48Å; F357-V367 HydrophobicContact CD1-CB 4.45Å; F357-V367 HydrophobicContact CD1-CG1 4.27Å; F357-V367 HydrophobicContact CE1-CB 4.47Å; F357-V367 HydrophobicContact CE1-CG1 3.84Å
358	T	76.4	Confident	77.9	Confident	73 Å²	73	59.1 Å²	59.1	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-40.3	176	52.7	0	0	0	0	111.3	T354 H355 K361 A362	T354-T358 WeakPolarHBondContact O-CG2 3.34Å; T354-T358 PolarHBondContact O-N 3.33Å; T354-T358 PolarHBondContact O-OG1 3.28Å; H355-T358 VanDerWaalsContact CA-OG1 3.28Å; H355-T358 WeakPolarHBondContact CA-OG1 3.24Å; H355-T358 PolarHBondContact O-N 2.81Å; H355-T358 PolarHBondContact O-OG1 2.85Å; T358-K361 PolarHBondContact O-N 3.13Å; T358-A362 VanDerWaalsContact O-CB 3.32Å; T358-A362 WeakPolarHBondContact O-CB 3.22Å; T358-A362 PolarHBondContact O-N 2.72Å
359	D	78.8	Confident	77.4	Confident	97 Å²	97	57.1 Å²	57.1	52%	0.519	31%	0.313	S	S	.	.	H	α-helix	trans	-69.3	-42.8	178.9	-69.3	-9.8	0	0	0	111.6	H355 F357 K361 A362 S363	H355-D359 WeakPolarHBondContact O-CB 3.34Å; H355-D359 PolarHBondContact O-N 3.13Å; F357-D359 VanDerWaalsContact C-N 3.34Å; D359-K361 VanDerWaalsContact C-N 3.33Å; D359-K361 PolarHBondContact O-N 2.9Å; D359-A362 PolarHBondContact O-N 2.91Å; D359-S363 WeakPolarHBondContact O-CB 3.19Å; D359-S363 PolarHBondContact O-N 2.81Å; D359-S363 VanDerWaalsContact O-N 3.07Å; D359-S363 PolarHBondContact O-OG 2.89Å
360	C	74.1	Confident	77.1	Confident	14 Å²	14	60.8 Å²	60.8	10%	0.095	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-43.3	174.3	-69.8	0	0	0	0	111.4	Y356 S363 G364 Y365 V367	Y356-C360 WeakPolarHBondContact O-CB 3.41Å; Y356-C360 PolarHBondContact O-N 3.15Å; Y356-C360 PolarHBondContact O-SG 2.99Å; C360-S363 PolarHBondContact O-N 2.64Å; C360-G364 PolarHBondContact O-N 3.47Å; C360-G364 VanDerWaalsContact O-N 3.14Å; C360-Y365 PolarHBondContact O-N 2.89Å; C360-V367 HydrophobicContact CB-CG2 3.4Å
361	K	74.6	Confident	76.9	Confident	142 Å²	142	59.3 Å²	59.3	62%	0.617	33%	0.326	S	S	*	.	H	α-helix	trans	-66.9	-41	178.4	-174.4	177.3	-178.5	177.1	0	112.3	F357 T358 D359 S363 G364	F357-K361 WeakPolarHBondContact O-CB 3.38Å; F357-K361 PolarHBondContact O-N 3.48Å; T358-K361 PolarHBondContact O-N 3.13Å; D359-K361 VanDerWaalsContact C-N 3.33Å; D359-K361 PolarHBondContact O-N 2.9Å; K361-S363 PolarHBondContact O-N 2.81Å; K361-G364 PolarHBondContact O-N 3.35Å; K361-G364 VanDerWaalsContact O-N 3.12Å
362	A	80.7	Confident	76.7	Confident	88 Å²	88	60.9 Å²	60.9	73%	0.727	33%	0.326	S	S	*	.	H	α-helix	trans	-62.3	-34.5	176.2	0	0	0	0	0	111.8	T358 D359 G364	T358-A362 VanDerWaalsContact O-CB 3.32Å; T358-A362 WeakPolarHBondContact O-CB 3.22Å; T358-A362 PolarHBondContact O-N 2.72Å; D359-A362 PolarHBondContact O-N 2.91Å; A362-G364 VanDerWaalsContact C-N 3.32Å
363	S	80.1	Confident	77	Confident	75 Å²	75	60.6 Å²	60.6	52%	0.524	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-6	177	-55.5	0	0	0	0	113.9	D359 C360 K361 Y365	D359-S363 WeakPolarHBondContact O-CB 3.19Å; D359-S363 PolarHBondContact O-N 2.81Å; D359-S363 VanDerWaalsContact O-N 3.07Å; D359-S363 PolarHBondContact O-OG 2.89Å; C360-S363 PolarHBondContact O-N 2.64Å; K361-S363 PolarHBondContact O-N 2.81Å; S363-Y365 VanDerWaalsContact C-N 3.32Å
364	G	78.2	Confident	77.4	Confident	37 Å²	37	60.3 Å²	60.3	38%	0.381	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	10.9	-177.5	0	0	0	0	0	115.1	C360 K361 A362 P406	C360-G364 PolarHBondContact O-N 3.47Å; C360-G364 VanDerWaalsContact O-N 3.14Å; K361-G364 PolarHBondContact O-N 3.35Å; K361-G364 VanDerWaalsContact O-N 3.12Å; A362-G364 VanDerWaalsContact C-N 3.32Å; G364-P406 WeakPolarHBondContact O-CG 3.42Å
365	Y	79.8	Confident	77.9	Confident	91 Å²	91	63.2 Å²	63.2	36%	0.357	34%	0.338	S	S	.	.			trans	-72	142	175.9	-64.9	-62.6	0	0	0	111.3	C360 S363 V403	C360-Y365 PolarHBondContact O-N 2.89Å; S363-Y365 VanDerWaalsContact C-N 3.32Å; Y365-V403 HydrophobicContact CD1-CG1 4.29Å; Y365-V403 HydrophobicContact CG-CG1 4.05Å
366	I	76.9	Confident	78.3	Confident	80 Å²	80	63.5 Å²	63.5	41%	0.41	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	109.1	173.2	-59.2	168.6	0	0	0	107	E368 K404	I366-E368 HydrophobicContact CG2-CG 4.33Å; I366-K404 HydrophobicContact CB-CB 4.26Å; I366-K404 PolarHBondContact N-O 2.84Å; I366-K404 PolarHBondContact O-N 2.86Å
367	V	74.3	Confident	78.9	Confident	19 Å²	19	60.7 Å²	60.7	12%	0.115	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.7	174.6	-174.6	0	0	0	0	108.2	C323 Y356 F357 C360 V403	C323-V367 VanDerWaalsContact CB-O 3.23Å; C323-V367 WeakPolarHBondContact CB-O 3.36Å; Y356-V367 HydrophobicContact CE1-CG1 4.21Å; F357-V367 HydrophobicContact CD1-CB 4.45Å; F357-V367 HydrophobicContact CD1-CG1 4.27Å; F357-V367 HydrophobicContact CE1-CB 4.47Å; F357-V367 HydrophobicContact CE1-CG1 3.84Å; C360-V367 HydrophobicContact CB-CG2 3.4Å; V367-V403 HydrophobicContact CG2-CG2 4.44Å
368	E	73.6	Confident	79.6	Confident	32 Å²	32	62.7 Å²	62.7	15%	0.15	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.5	169.8	-68.5	177.1	-174.8	0	0	107.3	R324 I366 S402 K404	R324-E368 HydrophobicContact CG-CB 4.22Å; R324-E368 HydrophobicContact CG-CG 4.28Å; R324-E368 IonicContact CZ-OE2 2.84Å; R324-E368 VanDerWaalsContact CZ-OE2 3.23Å; R324-E368 IonicContact NE-OE2 2.72Å; R324-E368 PolarHBondContact NE-OE2 3.45Å; R324-E368 IonicContact NH2-OE2 2.71Å; R324-E368 PolarHBondContact NH2-OE2 3.48Å; I366-E368 HydrophobicContact CG2-CG 4.33Å; E368-S402 PolarHBondContact N-O 3.34Å; E368-S402 PolarHBondContact O-N 2.78Å; E368-S402 VanDerWaalsContact O-O 3.08Å; E368-K404 WeakPolarHBondContact OE1-CE 3.38Å; E368-K404 IonicContact OE1-NZ 2.88Å; E368-K404 PolarHBondContact OE1-NZ 3.41Å; E368-K404 WeakPolarHBondContact OE2-CE 3.39Å; E368-K404 IonicContact OE2-NZ 2.79Å; E368-K404 PolarHBondContact OE2-NZ 3.46Å
369	A	72.5	Confident	80.1	Confident	6 Å²	6	59.6 Å²	59.6	5%	0.05	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.6	173	0	0	0	0	0	108.4	D322 I400 R401	D322-A369 CarbonylContact C-O 3.59Å; D322-A369 WeakPolarHBondContact CA-O 3.33Å; D322-A369 VanDerWaalsContact CB-O 3.25Å; D322-A369 WeakPolarHBondContact CB-O 3.3Å; D322-A369 VanDerWaalsContact CG-C 3.46Å; D322-A369 WeakPolarHBondContact OD1-CA 3.31Å; D322-A369 WeakPolarHBondContact OD1-CB 3.27Å; D322-A369 VanDerWaalsContact OD1-O 3.05Å; A369-I400 CarbonylContact C-O 3.54Å; A369-I400 VanDerWaalsContact CA-O 3.3Å; A369-I400 WeakPolarHBondContact CA-O 3.23Å; A369-R401 HydrophobicContact CB-CG 4.29Å
370	Q	74.3	Confident	80.2	Confident	77 Å²	77	57.9 Å²	57.9	36%	0.36	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	121.7	173.3	179.8	-178.2	-11.3	0	0	109.8	D322 L372 Q399 I400	D322-Q370 VanDerWaalsContact CG-CA 3.46Å; D322-Q370 WeakPolarHBondContact OD1-CA 3.24Å; D322-Q370 PolarHBondContact OD1-N 3.25Å; Q370-L372 HydrophobicContact CG-CD2 4.38Å; Q370-Q399 CarbonylContact O-C 3.53Å; Q370-Q399 VanDerWaalsContact O-CA 3.23Å; Q370-Q399 WeakPolarHBondContact O-CA 3.39Å; Q370-I400 HydrophobicContact CB-CB 4.47Å; Q370-I400 PolarHBondContact N-O 2.92Å; Q370-I400 PolarHBondContact O-N 3.34Å
371	L	78.3	Confident	80.3	Confident	26 Å²	26	59.5 Å²	59.5	14%	0.136	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.7	168.8	-175.2	66.7	0	0	0	109.4	L318 E319 D322 I374 T397 Q399	L318-L371 HydrophobicContact CB-CD2 4.19Å; E319-L371 HydrophobicContact CG-CD2 4.28Å; D322-L371 WeakPolarHBondContact OD2-CB 3.2Å; D322-L371 PolarHBondContact OD2-N 3.06Å; L371-I374 HydrophobicContact CD1-CG1 4.15Å; L371-I374 HydrophobicContact CD2-CD1 3.93Å; L371-I374 HydrophobicContact CD2-CG1 3.98Å; L371-I374 HydrophobicContact CG-CG1 4.42Å; L371-T397 HydrophobicContact CD1-CG2 3.96Å; L371-Q399 HydrophobicContact CB-CG 4.42Å; L371-Q399 HydrophobicContact CD1-CG 3.58Å
372	L	81.6	Confident	80.6	Confident	85 Å²	85	52.8 Å²	52.8	45%	0.445	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-48.4	176.9	-61.3	176.6	0	0	0	110.7	Q370 H398 I400 P418	Q370-L372 HydrophobicContact CG-CD2 4.38Å; L372-H398 HydrophobicContact CB-CB 4.29Å; L372-H398 WeakPolarHBondContact CB-O 3.31Å; L372-H398 PolarHBondContact N-O 2.82Å; L372-I400 HydrophobicContact CD1-CD1 4.05Å; L372-I400 HydrophobicContact CD1-CG1 3.93Å; L372-I400 HydrophobicContact CD2-CD1 4.11Å; L372-I400 HydrophobicContact CG-CD1 4.39Å; L372-I400 HydrophobicContact CG-CG1 4.32Å; L372-P418 HydrophobicContact CD1-CB 3.74Å
373	D	83.5	Confident	80.7	Confident	66 Å²	66	51.9 Å²	51.9	35%	0.353	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	157.1	-177.1	-164.5	12.7	0	0	0	112.1	T397 H398	D373-T397 CarbonylContact O-C 3.49Å; D373-T397 VanDerWaalsContact O-CA 3.3Å; D373-T397 WeakPolarHBondContact O-CA 3.31Å; D373-H398 HydrophobicContact CB-CB 4.5Å; D373-H398 PolarHBondContact N-O 3.06Å; D373-H398 PolarHBondContact O-N 2.99Å
374	I	86.1	Confident	80.6	Confident	12 Å²	12	51 Å²	51	6%	0.062	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115	173.5	-56.2	161	0	0	0	107.9	R310 I314 P315 L371 V377 F395 T397	R310-I374 PolarHBondContact NE-O 3.49Å; R310-I374 PolarHBondContact NH2-O 3.34Å; I314-I374 HydrophobicContact CB-CD1 4.27Å; I314-I374 HydrophobicContact CG2-CD1 3.68Å; I314-I374 HydrophobicContact CG2-CG1 4.32Å; I314-I374 HydrophobicContact CG2-CG2 4.32Å; P315-I374 HydrophobicContact CG-CD1 3.82Å; L371-I374 HydrophobicContact CD1-CG1 4.15Å; L371-I374 HydrophobicContact CD2-CD1 3.93Å; L371-I374 HydrophobicContact CD2-CG1 3.98Å; L371-I374 HydrophobicContact CG-CG1 4.42Å; I374-V377 HydrophobicContact CG2-CG2 3.76Å; I374-F395 HydrophobicContact CG2-CB 4.33Å; I374-F395 HydrophobicContact CG2-CD2 4.07Å; I374-F395 HydrophobicContact CG2-CG 4.48Å; I374-T397 HydrophobicContact CG1-CG2 4.08Å; I374-T397 HydrophobicContact CG2-CG2 4.45Å
375	E	86.1	Confident	80.6	Confident	74 Å²	74	51 Å²	51	35%	0.346	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	163.6	178.7	-63.3	-169.4	164.6	0	0	112	V377 T396 H398	E375-V377 PolarHBondContact O-N 3.31Å; E375-T396 PolarHBondContact N-O 3.22Å; E375-T396 PolarHBondContact O-N 2.97Å; E375-T396 PolarHBondContact O-OG1 3.24Å; E375-H398 IonicContact OE1-NE2 2.81Å; E375-H398 IonicContact OE2-NE2 3.05Å
376	N	85.1	Confident	80.3	Confident	108 Å²	108	55 Å²	55	58%	0.578	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.9	42	168.5	-55	-36.6	0	0	0	115.5	D378 N394 F395 T396	N376-D378 PolarHBondContact O-N 2.66Å; N376-N394 VanDerWaalsContact O-O 3.09Å; N376-F395 WeakPolarHBondContact O-CA 3.49Å; N376-T396 PolarHBondContact ND2-OG1 3.07Å
377	V	88.7	Confident	79.9	Confident	23 Å²	23	53.8 Å²	53.8	14%	0.139	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	107.3	173.7	-172.6	0	0	0	0	109.7	C306 C309 R310 I314 I374 E375 V393 N394 F395	C306-V377 HydrophobicContact CB-CG1 4.31Å; C309-V377 HydrophobicContact CB-CG1 4.21Å; R310-V377 HydrophobicContact CB-CG2 4.19Å; R310-V377 HydrophobicContact CG-CG2 4.35Å; I314-V377 HydrophobicContact CD1-CG1 4.05Å; I314-V377 HydrophobicContact CD1-CG2 4.13Å; I374-V377 HydrophobicContact CG2-CG2 3.76Å; E375-V377 PolarHBondContact O-N 3.31Å; V377-V393 HydrophobicContact CG1-CG1 3.79Å; V377-N394 WeakPolarHBondContact CA-O 3.39Å; V377-F395 HydrophobicContact CB-CB 4.34Å; V377-F395 HydrophobicContact CG2-CB 3.81Å
378	D	87	Confident	80.1	Confident	92 Å²	92	53.1 Å²	53.1	49%	0.492	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	156	178.1	-163.3	13.7	0	0	0	112	N376 V393 N394	N376-D378 PolarHBondContact O-N 2.66Å; D378-V393 CarbonylContact O-C 3.56Å; D378-V393 VanDerWaalsContact O-CA 3.23Å; D378-V393 WeakPolarHBondContact O-CA 3.5Å; D378-V393 WeakPolarHBondContact O-CG1 3.45Å; D378-N394 WeakPolarHBondContact CB-OD1 3.21Å; D378-N394 PolarHBondContact N-O 3.47Å; D378-N394 PolarHBondContact N-OD1 3.42Å; D378-N394 PolarHBondContact O-N 3.45Å; D378-N394 PolarHBondContact O-OD1 2.96Å
379	V	87.3	Confident	80.8	Confident	8 Å²	8	51.8 Å²	51.8	5%	0.048	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	109.9	176.6	175.8	0	0	0	0	108.4	I286 V302 F305 L391 L392 V393	I286-V379 HydrophobicContact CD1-CG1 4.41Å; V302-V379 HydrophobicContact CG1-CB 4.08Å; V302-V379 HydrophobicContact CG1-CG2 3.93Å; F305-V379 HydrophobicContact CD1-CG2 3.99Å; F305-V379 HydrophobicContact CE1-CG2 4.13Å; V379-L391 HydrophobicContact CG1-CB 4.47Å; V379-L391 HydrophobicContact CG1-CD2 4.08Å; V379-L392 CarbonylContact C-O 3.58Å; V379-L392 WeakPolarHBondContact CA-O 3.04Å; V379-V393 HydrophobicContact CG2-CG2 3.93Å
380	I	81.6	Confident	81.7	Confident	61 Å²	61	52.8 Å²	52.8	31%	0.313	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-44.5	179.6	-61.9	169.1	0	0	0	111.1	L392 N394	I380-L392 HydrophobicContact CB-CD2 4.28Å; I380-L392 HydrophobicContact CG2-CD2 4.48Å; I380-L392 PolarHBondContact N-O 2.83Å; I380-N394 HydrophobicContact CD1-CB 3.47Å; I380-N394 VanDerWaalsContact CD1-CB 3.47Å; I380-N394 HydrophobicContact CG1-CB 4.01Å
381	M	76.1	Confident	82.4	Confident	47 Å²	47	49.4 Å²	49.4	23%	0.232	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	145.4	-168.7	-175.1	-179.6	-67.5	0	0	110.5	S279 L392	S279-M381 VanDerWaalsContact O-CE 3.25Å; S279-M381 WeakPolarHBondContact O-CE 3.27Å; M381-L392 HydrophobicContact CB-CB 4.17Å; M381-L392 HydrophobicContact CB-CD2 4.34Å; M381-L392 WeakPolarHBondContact O-CB 3.47Å; M381-L392 PolarHBondContact O-N 2.95Å
382	G	81.6	Confident	82.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.4	163.5	0	0	0	0	0	110.2	N285 L390	N285-G382 VanDerWaalsContact CB-O 3.24Å; N285-G382 WeakPolarHBondContact CB-O 3.23Å; G382-L390 CarbonylContact C-O 3.59Å; G382-L390 WeakPolarHBondContact CA-O 3.08Å
383	K	81.3	Confident	83.2	Confident	70 Å²	70	46.1 Å²	46.1	30%	0.304	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.6	169	-178.6	173.7	177.2	176.7	0	109.8	W221 L390	W221-K383 VanDerWaalsContact CD1-NZ 3.3Å; K383-L390 PolarHBondContact N-O 3.14Å; K383-L390 WeakPolarHBondContact O-CB 3.32Å; K383-L390 PolarHBondContact O-N 3.09Å
384	M	78.7	Confident	83.5	Confident	56 Å²	56	45.5 Å²	45.5	28%	0.276	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.6	169.3	-67.6	-54	-58.5	0	0	110.1	E288 V289 E292 P389	E288-M384 HydrophobicContact CG-CG 4.08Å; V289-M384 HydrophobicContact CB-SD 4.09Å; V289-M384 HydrophobicContact CG1-SD 4.32Å; V289-M384 HydrophobicContact CG2-CG 3.85Å; V289-M384 HydrophobicContact CG2-SD 3.69Å; E292-M384 HydrophobicContact CB-CE 3.92Å; E292-M384 HydrophobicContact CB-SD 4.07Å; E292-M384 HydrophobicContact CG-CE 3.63Å; E292-M384 HydrophobicContact CG-SD 3.85Å; M384-P389 HydrophobicContact CE-CB 4.35Å; M384-P389 HydrophobicContact SD-CB 3.9Å
385	T	78.6	Confident	83.6	Confident	38 Å²	38	45.1 Å²	45.1	23%	0.233	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	165.9	171	65.8	0	0	0	0	110	Y387 G388 L390	T385-Y387 PolarHBondContact O-N 3.09Å; T385-Y387 VanDerWaalsContact O-N 3.12Å; T385-G388 PolarHBondContact N-O 3.32Å; T385-G388 VanDerWaalsContact N-O 3.1Å; T385-G388 PolarHBondContact O-N 3.45Å; T385-G388 PolarHBondContact OG1-O 3.12Å; T385-L390 HydrophobicContact CG2-CD1 3.38Å; T385-L390 HydrophobicContact CG2-CG 3.82Å
386	E	72.7	Confident	83.7	Confident	174 Å²	174	43.6 Å²	43.6	81%	0.813	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.1	179.2	-61.1	177.9	173.7	0	0	113
387	Y	68.7	Low	83.7	Confident	54 Å²	54	38.5 Å²	38.5	21%	0.212	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-16.9	-175.6	-54.4	-88.2	0	0	0	112.9	Q213 W214 S216 A217 T385	Q213-Y387 HydrophobicContact CB-CD1 4.35Å; Q213-Y387 HydrophobicContact CB-CE1 3.79Å; Q213-Y387 WeakPolarHBondContact O-CE1 3.44Å; Q213-Y387 PolarHBondContact O-OH 3.44Å; W214-Y387 HydrophobicContact CE3-CG 4.49Å; W214-Y387 HydrophobicContact CZ3-CG 4.36Å; S216-Y387 PolarHBondContact OG-OH 3.38Å; S216-Y387 VanDerWaalsContact OG-OH 3.07Å; A217-Y387 WeakPolarHBondContact CA-OH 3.36Å; A217-Y387 HydrophobicContact CB-CD1 4.41Å; A217-Y387 HydrophobicContact CB-CD2 3.2Å; A217-Y387 HydrophobicContact CB-CE1 4.1Å; A217-Y387 HydrophobicContact CB-CE2 2.86Å; A217-Y387 HydrophobicContact CB-CG 3.99Å; A217-Y387 PolarHBondContact N-OH 3.4Å; A217-Y387 VanDerWaalsContact N-OH 3.12Å; T385-Y387 PolarHBondContact O-N 3.09Å; T385-Y387 VanDerWaalsContact O-N 3.12Å
388	G	79.5	Confident	83.5	Confident	6 Å²	6	38.9 Å²	38.9	6%	0.062	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.4	177.2	-178.4	0	0	0	0	0	114.2	T385 L390	T385-G388 PolarHBondContact N-O 3.32Å; T385-G388 VanDerWaalsContact N-O 3.1Å; T385-G388 PolarHBondContact O-N 3.45Å; T385-G388 PolarHBondContact OG1-O 3.12Å; G388-L390 PolarHBondContact O-N 2.86Å
389	P	88.6	Confident	83	Confident	4 Å²	4	34.9 Å²	34.9	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	124.2	174.6	26.2	-27.6	0	0	0	110.4	V289 I293 M384 R429	V289-P389 HydrophobicContact CG1-CB 3.49Å; V289-P389 VanDerWaalsContact CG1-CB 3.49Å; I293-P389 HydrophobicContact CD1-CB 4.02Å; I293-P389 HydrophobicContact CD1-CG 4.17Å; I293-P389 HydrophobicContact CG1-CB 3.76Å; I293-P389 HydrophobicContact CG1-CG 3.51Å; M384-P389 HydrophobicContact CE-CB 4.35Å; M384-P389 HydrophobicContact SD-CB 3.9Å; P389-R429 HydrophobicContact CG-CB 3.88Å; P389-R429 PolarHBondContact O-N 3.07Å
390	L	89.4	Confident	82.6	Confident	27 Å²	27	35.5 Å²	35.5	14%	0.141	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.4	172.5	-62.6	-177.2	0	0	0	110.8	G382 K383 T385 G388 V426 F427 C428 M443	G382-L390 CarbonylContact C-O 3.59Å; G382-L390 WeakPolarHBondContact CA-O 3.08Å; K383-L390 PolarHBondContact N-O 3.14Å; K383-L390 WeakPolarHBondContact O-CB 3.32Å; K383-L390 PolarHBondContact O-N 3.09Å; T385-L390 HydrophobicContact CG2-CD1 3.38Å; T385-L390 HydrophobicContact CG2-CG 3.82Å; G388-L390 PolarHBondContact O-N 2.86Å; L390-V426 HydrophobicContact CB-CG1 4.47Å; L390-V426 HydrophobicContact CD1-CG1 4.33Å; L390-V426 HydrophobicContact CD2-CG1 4.3Å; L390-F427 CarbonylContact C-O 3.52Å; L390-F427 VanDerWaalsContact CA-O 3.3Å; L390-F427 WeakPolarHBondContact CA-O 3.37Å; L390-C428 HydrophobicContact CD2-CB 3.36Å; L390-C428 WeakPolarHBondContact CD2-SG 3.48Å; L390-M443 HydrophobicContact CD2-CG 4.29Å
391	L	89.7	Confident	82.2	Confident	5 Å²	5	35.5 Å²	35.5	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.7	172.4	-64.7	177.9	0	0	0	110.2	V289 I293 F300 F305 V379 F427 W440	V289-L391 HydrophobicContact CG1-CD2 3.62Å; V289-L391 HydrophobicContact CG1-CG 4.31Å; I293-L391 HydrophobicContact CD1-CD1 4.02Å; I293-L391 HydrophobicContact CD1-CG 4.41Å; F300-L391 HydrophobicContact CZ-CD1 4Å; F305-L391 HydrophobicContact CD1-CD1 3.89Å; F305-L391 HydrophobicContact CE1-CB 4.27Å; F305-L391 HydrophobicContact CE1-CD1 3.63Å; F305-L391 HydrophobicContact CG-CD1 4.49Å; F305-L391 HydrophobicContact CZ-CD1 4.05Å; V379-L391 HydrophobicContact CG1-CB 4.47Å; V379-L391 HydrophobicContact CG1-CD2 4.08Å; L391-F427 PolarHBondContact N-O 3.34Å; L391-F427 PolarHBondContact O-N 3.06Å; L391-W440 HydrophobicContact CD1-CH2 3.58Å; L391-W440 HydrophobicContact CD1-CZ3 3.87Å; L391-W440 HydrophobicContact CG-CH2 4.44Å; L391-W440 HydrophobicContact CG-CZ3 4.37Å
392	L	89	Confident	82.1	Confident	43 Å²	43	33.3 Å²	33.3	23%	0.225	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114	174.5	-167.3	74.8	0	0	0	108.7	V379 I380 M381 I424 V426	V379-L392 CarbonylContact C-O 3.58Å; V379-L392 WeakPolarHBondContact CA-O 3.04Å; I380-L392 HydrophobicContact CB-CD2 4.28Å; I380-L392 HydrophobicContact CG2-CD2 4.48Å; I380-L392 PolarHBondContact N-O 2.83Å; M381-L392 HydrophobicContact CB-CB 4.17Å; M381-L392 HydrophobicContact CB-CD2 4.34Å; M381-L392 WeakPolarHBondContact O-CB 3.47Å; M381-L392 PolarHBondContact O-N 2.95Å; L392-I424 HydrophobicContact CD1-CG2 3.34Å; L392-I424 HydrophobicContact CD2-CG2 4.07Å; L392-I424 HydrophobicContact CG-CG2 3.63Å; L392-V426 HydrophobicContact CD1-CG2 3.5Å
393	V	88.9	Confident	81.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	-179.9	176.3	0	0	0	0	109.1	F305 V377 D378 V379 F395 I424 F425 F427	F305-V393 HydrophobicContact CE1-CG2 3.77Å; F305-V393 HydrophobicContact CZ-CG2 4.45Å; V377-V393 HydrophobicContact CG1-CG1 3.79Å; D378-V393 CarbonylContact O-C 3.56Å; D378-V393 VanDerWaalsContact O-CA 3.23Å; D378-V393 WeakPolarHBondContact O-CA 3.5Å; D378-V393 WeakPolarHBondContact O-CG1 3.45Å; V379-V393 HydrophobicContact CG2-CG2 3.93Å; V393-F395 HydrophobicContact CG1-CD1 4.27Å; V393-I424 CarbonylContact O-C 3.52Å; V393-I424 WeakPolarHBondContact O-CA 3.44Å; V393-F425 PolarHBondContact N-O 3.15Å; V393-F425 PolarHBondContact O-N 3.5Å; V393-F427 HydrophobicContact CB-CD2 3.93Å; V393-F427 HydrophobicContact CB-CE2 3.71Å; V393-F427 HydrophobicContact CG1-CE2 4.26Å; V393-F427 HydrophobicContact CG2-CD2 3.51Å; V393-F427 HydrophobicContact CG2-CE2 3.66Å
394	N	89.5	Confident	81.8	Confident	53 Å²	53	33 Å²	33	28%	0.283	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	151.2	164.2	62.6	-9.5	0	0	0	110.8	N376 V377 D378 I380 Y423	N376-N394 VanDerWaalsContact O-O 3.09Å; V377-N394 WeakPolarHBondContact CA-O 3.39Å; D378-N394 WeakPolarHBondContact CB-OD1 3.21Å; D378-N394 PolarHBondContact N-O 3.47Å; D378-N394 PolarHBondContact N-OD1 3.42Å; D378-N394 PolarHBondContact O-N 3.45Å; D378-N394 PolarHBondContact O-OD1 2.96Å; I380-N394 HydrophobicContact CD1-CB 3.47Å; I380-N394 VanDerWaalsContact CD1-CB 3.47Å; I380-N394 HydrophobicContact CG1-CB 4.01Å; N394-Y423 VanDerWaalsContact CA-O 3.29Å; N394-Y423 WeakPolarHBondContact CA-O 3.35Å
395	F	88.5	Confident	81.9	Confident	3 Å²	3	30.8 Å²	30.8	1%	0.013	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	160.7	167.3	57.8	-87.6	0	0	0	109.3	I314 L318 I374 N376 V377 V393 T397 Y423 F425	I314-F395 HydrophobicContact CD1-CD1 3.68Å; I314-F395 HydrophobicContact CD1-CD2 4.47Å; I314-F395 HydrophobicContact CD1-CE1 3.85Å; I314-F395 HydrophobicContact CD1-CG 4Å; I314-F395 HydrophobicContact CD1-CZ 4.32Å; I314-F395 HydrophobicContact CG1-CD1 4.44Å; I314-F395 HydrophobicContact CG1-CE1 4.11Å; I314-F395 HydrophobicContact CG1-CZ 4.3Å; I314-F395 HydrophobicContact CG2-CD2 4.16Å; I314-F395 HydrophobicContact CG2-CE1 4.35Å; I314-F395 HydrophobicContact CG2-CE2 3.65Å; I314-F395 HydrophobicContact CG2-CZ 3.75Å; L318-F395 HydrophobicContact CD1-CE2 3.81Å; L318-F395 HydrophobicContact CD1-CZ 4.26Å; I374-F395 HydrophobicContact CG2-CB 4.33Å; I374-F395 HydrophobicContact CG2-CD2 4.07Å; I374-F395 HydrophobicContact CG2-CG 4.48Å; N376-F395 WeakPolarHBondContact O-CA 3.49Å; V377-F395 HydrophobicContact CB-CB 4.34Å; V377-F395 HydrophobicContact CG2-CB 3.81Å; V393-F395 HydrophobicContact CG1-CD1 4.27Å; F395-T397 HydrophobicContact CD2-CG2 3.56Å; F395-T397 HydrophobicContact CE2-CG2 3.53Å; F395-Y423 HydrophobicContact CD2-CD2 4.21Å; F395-Y423 HydrophobicContact CD2-CG 4.48Å; F395-Y423 VanDerWaalsContact CE2-CB 3.44Å; F395-Y423 AromaticContact CE2-CD2 3.55Å; F395-Y423 HydrophobicContact CE2-CD2 3.55Å; F395-Y423 HydrophobicContact CE2-CE2 4.48Å; F395-Y423 AromaticContact CE2-CG 3.72Å; F395-Y423 HydrophobicContact CE2-CG 3.72Å; F395-Y423 HydrophobicContact CZ-CD2 4.14Å; F395-Y423 AromaticContact CZ-CG 3.82Å; F395-Y423 HydrophobicContact CZ-CG 3.82Å; F395-Y423 PolarHBondContact N-O 3.34Å; F395-Y423 PolarHBondContact O-N 3.23Å; F395-F425 HydrophobicContact CE1-CB 4.2Å; F395-F425 AromaticContact CE1-CD1 3.72Å; F395-F425 HydrophobicContact CE1-CD1 3.72Å; F395-F425 AromaticContact CE1-CD2 3.88Å; F395-F425 HydrophobicContact CE1-CD2 3.88Å; F395-F425 AromaticContact CE1-CE1 3.99Å; F395-F425 HydrophobicContact CE1-CE1 3.99Å; F395-F425 HydrophobicContact CE1-CE2 4.16Å; F395-F425 AromaticContact CE1-CG 3.66Å; F395-F425 HydrophobicContact CE1-CG 3.66Å; F395-F425 HydrophobicContact CE1-CZ 4.23Å; F395-F425 AromaticContact CZ-CD1 3.85Å; F395-F425 HydrophobicContact CZ-CD1 3.85Å; F395-F425 HydrophobicContact CZ-CD2 4.1Å; F395-F425 AromaticContact CZ-CE1 3.61Å; F395-F425 HydrophobicContact CZ-CE1 3.61Å; F395-F425 AromaticContact CZ-CE2 3.9Å; F395-F425 HydrophobicContact CZ-CE2 3.9Å; F395-F425 HydrophobicContact CZ-CG 4.1Å; F395-F425 AromaticContact CZ-CZ 3.66Å; F395-F425 HydrophobicContact CZ-CZ 3.66Å
396	T	87.9	Confident	81.8	Confident	43 Å²	43	33.4 Å²	33.4	26%	0.264	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132	175.2	47	0	0	0	0	108.6	E375 N376 I421	E375-T396 PolarHBondContact N-O 3.22Å; E375-T396 PolarHBondContact O-N 2.97Å; E375-T396 PolarHBondContact O-OG1 3.24Å; N376-T396 PolarHBondContact ND2-OG1 3.07Å; T396-I421 CarbonylContact C-O 3.53Å; T396-I421 WeakPolarHBondContact CA-O 3.46Å
397	T	83.9	Confident	82.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	147	174.9	66.7	0	0	0	0	111.1	L318 L371 D373 I374 F395 Q399 S420 I421 Y423	L318-T397 HydrophobicContact CD1-CG2 3.79Å; L371-T397 HydrophobicContact CD1-CG2 3.96Å; D373-T397 CarbonylContact O-C 3.49Å; D373-T397 VanDerWaalsContact O-CA 3.3Å; D373-T397 WeakPolarHBondContact O-CA 3.31Å; I374-T397 HydrophobicContact CG1-CG2 4.08Å; I374-T397 HydrophobicContact CG2-CG2 4.45Å; F395-T397 HydrophobicContact CD2-CG2 3.56Å; F395-T397 HydrophobicContact CE2-CG2 3.53Å; T397-Q399 PolarHBondContact OG1-NE2 3.24Å; T397-S420 CarbonylContact O-C 3.48Å; T397-S420 WeakPolarHBondContact O-CA 3.38Å; T397-I421 PolarHBondContact N-O 2.66Å; T397-I421 PolarHBondContact O-N 2.82Å; T397-Y423 HydrophobicContact CG2-CD2 3.96Å; T397-Y423 HydrophobicContact CG2-CE2 4.11Å; T397-Y423 VanDerWaalsContact OG1-CE2 3.3Å; T397-Y423 WeakPolarHBondContact OG1-CE2 3.35Å
398	H	85.3	Confident	82.4	Confident	32 Å²	32	30.5 Å²	30.5	15%	0.148	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	115.7	168.6	-62.3	-58.7	0	0	0	107.6	L372 D373 E375 V419 S420 I453	L372-H398 HydrophobicContact CB-CB 4.29Å; L372-H398 WeakPolarHBondContact CB-O 3.31Å; L372-H398 PolarHBondContact N-O 2.82Å; D373-H398 HydrophobicContact CB-CB 4.5Å; D373-H398 PolarHBondContact N-O 3.06Å; D373-H398 PolarHBondContact O-N 2.99Å; E375-H398 IonicContact OE1-NE2 2.81Å; E375-H398 IonicContact OE2-NE2 3.05Å; H398-V419 WeakPolarHBondContact CA-O 3.27Å; H398-S420 PolarHBondContact CE1-OG 2.96Å; H398-S420 PolarHBondContact ND1-OG 3.06Å; H398-I453 WeakPolarHBondContact ND1-CD1 3.18Å
399	Q	76.7	Confident	82.2	Confident	7 Å²	7	36.5 Å²	36.5	3%	0.033	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142	-175.2	-67.2	174.3	3.9	0	0	110.6	Q370 L371 T397 R401 V419	Q370-Q399 CarbonylContact O-C 3.53Å; Q370-Q399 VanDerWaalsContact O-CA 3.23Å; Q370-Q399 WeakPolarHBondContact O-CA 3.39Å; L371-Q399 HydrophobicContact CB-CG 4.42Å; L371-Q399 HydrophobicContact CD1-CG 3.58Å; T397-Q399 PolarHBondContact OG1-NE2 3.24Å; Q399-R401 HydrophobicContact CB-CG 4.44Å; Q399-V419 PolarHBondContact N-O 3.16Å; Q399-V419 PolarHBondContact O-N 3.4Å
400	I	79.3	Confident	81.4	Confident	22 Å²	22	39.8 Å²	39.8	11%	0.113	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.7	165.3	-59.6	172	0	0	0	106.5	A369 Q370 L372 S415 P418	A369-I400 CarbonylContact C-O 3.54Å; A369-I400 VanDerWaalsContact CA-O 3.3Å; A369-I400 WeakPolarHBondContact CA-O 3.23Å; Q370-I400 HydrophobicContact CB-CB 4.47Å; Q370-I400 PolarHBondContact N-O 2.92Å; Q370-I400 PolarHBondContact O-N 3.34Å; L372-I400 HydrophobicContact CD1-CD1 4.05Å; L372-I400 HydrophobicContact CD1-CG1 3.93Å; L372-I400 HydrophobicContact CD2-CD1 4.11Å; L372-I400 HydrophobicContact CG-CD1 4.39Å; L372-I400 HydrophobicContact CG-CG1 4.32Å; I400-S415 WeakPolarHBondContact CG2-O 3.29Å; I400-P418 HydrophobicContact CG1-CB 4.45Å
401	R	73	Confident	80.4	Confident	60 Å²	60	44 Å²	44	23%	0.226	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.5	174.9	-64.7	-175.5	-175.9	175.4	-0.1	109.4	A369 Q399 G413 Y423 E447	A369-R401 HydrophobicContact CB-CG 4.29Å; Q399-R401 HydrophobicContact CB-CG 4.44Å; R401-G413 WeakPolarHBondContact O-CA 3.37Å; R401-Y423 PolarHBondContact NH2-OH 2.84Å; R401-E447 IonicContact CZ-OE1 2.71Å; R401-E447 IonicContact CZ-OE2 2.79Å; R401-E447 IonicContact NH1-OE1 2.92Å; R401-E447 PolarHBondContact NH1-OE1 2.85Å; R401-E447 IonicContact NH1-OE2 3.22Å; R401-E447 PolarHBondContact NH1-OE2 3.3Å; R401-E447 VanDerWaalsContact NH1-OE2 3.15Å; R401-E447 IonicContact NH2-OE1 3.23Å; R401-E447 IonicContact NH2-OE2 3.35Å; R401-E447 PolarHBondContact NH2-OE2 3.44Å
402	S	72.8	Confident	79.3	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126.5	177.4	167.8	0	0	0	0	109.2	E368 F412	E368-S402 PolarHBondContact N-O 3.34Å; E368-S402 PolarHBondContact O-N 2.78Å; E368-S402 VanDerWaalsContact O-O 3.08Å; S402-F412 CarbonylContact C-O 3.54Å; S402-F412 WeakPolarHBondContact CA-O 3.16Å
403	V	77.2	Confident	78	Confident	12 Å²	12	50.5 Å²	50.5	7%	0.073	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.3	170.7	-174.2	0	0	0	0	108	Y356 Y365 V367 M411 F412	Y356-V403 WeakPolarHBondContact OH-CG2 3.49Å; Y365-V403 HydrophobicContact CD1-CG1 4.29Å; Y365-V403 HydrophobicContact CG-CG1 4.05Å; V367-V403 HydrophobicContact CG2-CG2 4.44Å; V403-M411 PolarHBondContact O-N 3.29Å; V403-F412 HydrophobicContact CB-CB 4.12Å; V403-F412 HydrophobicContact CG2-CB 4.37Å; V403-F412 PolarHBondContact N-O 3.26Å; V403-F412 PolarHBondContact O-N 2.65Å
404	K	80.4	Confident	76.4	Confident	53 Å²	53	54.2 Å²	54.2	23%	0.23	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.9	176.5	-61.9	176	-177.3	171.9	0	109.9	I366 E368 Q409	I366-K404 HydrophobicContact CB-CB 4.26Å; I366-K404 PolarHBondContact N-O 2.84Å; I366-K404 PolarHBondContact O-N 2.86Å; E368-K404 WeakPolarHBondContact OE1-CE 3.38Å; E368-K404 IonicContact OE1-NZ 2.88Å; E368-K404 PolarHBondContact OE1-NZ 3.41Å; E368-K404 WeakPolarHBondContact OE2-CE 3.39Å; E368-K404 IonicContact OE2-NZ 2.79Å; E368-K404 PolarHBondContact OE2-NZ 3.46Å; K404-Q409 CarbonylContact C-O 3.58Å; K404-Q409 WeakPolarHBondContact CA-O 3.39Å
405	S	80.1	Confident	75.2	Confident	9 Å²	9	54.1 Å²	54.1	6%	0.063	31%	0.312	C	S	.	.			trans	-61.5	163.9	167.3	66.2	0	0	0	0	110.6	T407 G408 Q409	S405-T407 PolarHBondContact O-N 2.82Å; S405-T407 VanDerWaalsContact O-N 3.08Å; S405-T407 PolarHBondContact OG-N 2.87Å; S405-T407 PolarHBondContact OG-OG1 3.01Å; S405-G408 PolarHBondContact O-N 3.48Å; S405-G408 PolarHBondContact OG-N 3.15Å; S405-Q409 PolarHBondContact N-O 2.84Å; S405-Q409 PolarHBondContact OG-N 3.3Å; S405-Q409 PolarHBondContact OG-O 3.01Å
406	P	77.8	Confident	74.4	Confident	92 Å²	92	61.6 Å²	61.6	60%	0.597	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-25.6	166.9	-20	26.2	0	0	0	113.3	G364 G408	G364-P406 WeakPolarHBondContact O-CG 3.42Å; P406-G408 VanDerWaalsContact C-N 3.29Å
407	T	78.8	Confident	73.8	Confident	122 Å²	122	64.3 Å²	64.3	75%	0.748	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-0	176.9	57.9	0	0	0	0	113.7	S405 Q409	S405-T407 PolarHBondContact O-N 2.82Å; S405-T407 VanDerWaalsContact O-N 3.08Å; S405-T407 PolarHBondContact OG-N 2.87Å; S405-T407 PolarHBondContact OG-OG1 3.01Å; T407-Q409 VanDerWaalsContact C-N 3.33Å
408	G	73.4	Confident	73.6	Confident	46 Å²	46	66.2 Å²	66.2	47%	0.474	37%	0.372	S	S	.	.	S	Bend	trans	82.4	2.6	178.8	0	0	0	0	0	115	S405 P406	S405-G408 PolarHBondContact O-N 3.48Å; S405-G408 PolarHBondContact OG-N 3.15Å; P406-G408 VanDerWaalsContact C-N 3.29Å
409	Q	76.8	Confident	73.4	Confident	131 Å²	131	66.3 Å²	66.3	61%	0.612	38%	0.375	S	S	*	.			trans	-76.9	125.8	175.4	-171	174.7	8	0	0	109.5	K404 S405 T407 M411	K404-Q409 CarbonylContact C-O 3.58Å; K404-Q409 WeakPolarHBondContact CA-O 3.39Å; S405-Q409 PolarHBondContact N-O 2.84Å; S405-Q409 PolarHBondContact OG-N 3.3Å; S405-Q409 PolarHBondContact OG-O 3.01Å; T407-Q409 VanDerWaalsContact C-N 3.33Å; Q409-M411 PolarHBondContact O-N 2.89Å; Q409-M411 VanDerWaalsContact O-N 3.13Å
410	S	71.9	Confident	73.7	Confident	74 Å²	74	67.3 Å²	67.3	52%	0.517	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	111.9	173.2	53.8	0	0	0	0	109.5
411	M	68.3	Low	73.8	Confident	115 Å²	115	66.3 Å²	66.3	57%	0.567	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	-36.9	-179.9	-72.4	-79.9	-68.4	0	0	111.2	V403 Q409	V403-M411 PolarHBondContact O-N 3.29Å; Q409-M411 PolarHBondContact O-N 2.89Å; Q409-M411 VanDerWaalsContact O-N 3.13Å
412	F	65.5	Low	74.4	Confident	149 Å²	149	64.1 Å²	64.1	65%	0.654	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.2	126.6	-175.9	-169.6	-92.5	0	0	0	110.4	S402 V403	S402-F412 CarbonylContact C-O 3.54Å; S402-F412 WeakPolarHBondContact CA-O 3.16Å; V403-F412 HydrophobicContact CB-CB 4.12Å; V403-F412 HydrophobicContact CG2-CB 4.37Å; V403-F412 PolarHBondContact N-O 3.26Å; V403-F412 PolarHBondContact O-N 2.65Å
413	G	61.1	Low	75.1	Confident	35 Å²	35	64.5 Å²	64.5	36%	0.361	37%	0.374	S	S	.	.			trans	81.8	130.1	-177.3	0	0	0	0	0	113.3	R401	R401-G413 WeakPolarHBondContact O-CA 3.37Å
414	T	56.3	Low	75.6	Confident	79 Å²	79	65.9 Å²	65.9	49%	0.485	38%	0.381	S	S	.	.			trans	-84.9	134.4	168.3	-49.9	0	0	0	0	107.7	E416 N417	T414-E416 HydrophobicContact CG2-CB 4.07Å; T414-E416 HydrophobicContact CG2-CG 4.24Å; T414-E416 PolarHBondContact O-N 2.91Å; T414-N417 PolarHBondContact O-N 3.47Å
415	S	64.1	Low	76	Confident	51 Å²	51	63.4 Å²	63.4	36%	0.357	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-8.7	177.2	-174.5	0	0	0	0	114.2	R324 I400	R324-S415 PolarHBondContact NH1-OG 3.08Å; R324-S415 VanDerWaalsContact NH1-OG 3.15Å; R324-S415 PolarHBondContact NH2-OG 2.88Å; I400-S415 WeakPolarHBondContact CG2-O 3.29Å
416	E	71	Confident	76.4	Confident	160 Å²	160	64.3 Å²	64.3	75%	0.748	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-23.5	-171.4	-60.8	-176.4	168.2	0	0	113.1	T414 P418	T414-E416 HydrophobicContact CG2-CB 4.07Å; T414-E416 HydrophobicContact CG2-CG 4.24Å; T414-E416 PolarHBondContact O-N 2.91Å; E416-P418 WeakPolarHBondContact O-CD 3.21Å
417	N	76.3	Confident	77	Confident	100 Å²	100	60 Å²	60	54%	0.535	35%	0.347	S	S	.	.			trans	-101.5	110.9	-172.7	-69.6	-14.7	0	0	0	110.8	T414	T414-N417 PolarHBondContact O-N 3.47Å
418	P	79.3	Confident	77.5	Confident	39 Å²	39	54.2 Å²	54.2	25%	0.253	31%	0.312	S	S	.	.			trans	-68.5	140.7	174.7	29.9	-34.4	0	0	0	110.4	L372 I400 E416 I453	L372-P418 HydrophobicContact CD1-CB 3.74Å; I400-P418 HydrophobicContact CG1-CB 4.45Å; E416-P418 WeakPolarHBondContact O-CD 3.21Å; P418-I453 HydrophobicContact CB-CD1 4.4Å; P418-I453 HydrophobicContact CG-CD1 4.23Å
419	V	80.8	Confident	78.2	Confident	35 Å²	35	52.1 Å²	52.1	21%	0.212	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.6	179.5	-178.1	0	0	0	0	108.4	H398 Q399 I421 P450	H398-V419 WeakPolarHBondContact CA-O 3.27Å; Q399-V419 PolarHBondContact N-O 3.16Å; Q399-V419 PolarHBondContact O-N 3.4Å; V419-I421 HydrophobicContact CG1-CD1 4.26Å; V419-I421 HydrophobicContact CG1-CG1 3.89Å; V419-P450 HydrophobicContact CG1-CB 3.14Å; V419-P450 HydrophobicContact CG1-CG 4.45Å
420	S	82.9	Confident	78.5	Confident	27 Å²	27	47.8 Å²	47.8	19%	0.189	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	123.6	173.2	-57.5	0	0	0	0	109.9	T397 H398 P450 R451 I453	T397-S420 CarbonylContact O-C 3.48Å; T397-S420 WeakPolarHBondContact O-CA 3.38Å; H398-S420 PolarHBondContact CE1-OG 2.96Å; H398-S420 PolarHBondContact ND1-OG 3.06Å; S420-P450 CarbonylContact O-C 3.3Å; S420-P450 WeakPolarHBondContact O-CA 3.36Å; S420-R451 PolarHBondContact N-O 3.01Å; S420-R451 PolarHBondContact O-N 3.34Å; S420-I453 WeakPolarHBondContact OG-CD1 3.3Å; S420-I453 WeakPolarHBondContact OG-CG1 3.32Å
421	I	82.2	Confident	79	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.7	-176.5	-56.7	-176.8	0	0	0	108.1	T396 T397 V419 Y423 E447 P450	T396-I421 CarbonylContact C-O 3.53Å; T396-I421 WeakPolarHBondContact CA-O 3.46Å; T397-I421 PolarHBondContact N-O 2.66Å; T397-I421 PolarHBondContact O-N 2.82Å; V419-I421 HydrophobicContact CG1-CD1 4.26Å; V419-I421 HydrophobicContact CG1-CG1 3.89Å; I421-Y423 HydrophobicContact CB-CE2 4Å; I421-Y423 HydrophobicContact CG2-CD2 4.03Å; I421-Y423 HydrophobicContact CG2-CE1 4.42Å; I421-Y423 HydrophobicContact CG2-CE2 3.55Å; I421-E447 HydrophobicContact CG2-CG 3.35Å; I421-P450 HydrophobicContact CG1-CB 4.11Å
422	G	85.9	Confident	79.6	Confident	13 Å²	13	49.3 Å²	49.3	13%	0.134	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.7	172.7	0	0	0	0	0	109.4	L448	G422-L448 WeakPolarHBondContact O-CA 2.76Å; G422-L448 VanDerWaalsContact O-CB 3.27Å; G422-L448 WeakPolarHBondContact O-CB 3.47Å; G422-L448 PolarHBondContact O-N 3.05Å
423	Y	86.4	Confident	80.3	Confident	10 Å²	10	46 Å²	46	4%	0.039	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	148.1	174.5	-76.1	-79.7	0	0	0	110.7	N394 F395 T397 R401 I421 F425 V445 S446 E447	N394-Y423 VanDerWaalsContact CA-O 3.29Å; N394-Y423 WeakPolarHBondContact CA-O 3.35Å; F395-Y423 HydrophobicContact CD2-CD2 4.21Å; F395-Y423 HydrophobicContact CD2-CG 4.48Å; F395-Y423 VanDerWaalsContact CE2-CB 3.44Å; F395-Y423 AromaticContact CE2-CD2 3.55Å; F395-Y423 HydrophobicContact CE2-CD2 3.55Å; F395-Y423 HydrophobicContact CE2-CE2 4.48Å; F395-Y423 AromaticContact CE2-CG 3.72Å; F395-Y423 HydrophobicContact CE2-CG 3.72Å; F395-Y423 HydrophobicContact CZ-CD2 4.14Å; F395-Y423 AromaticContact CZ-CG 3.82Å; F395-Y423 HydrophobicContact CZ-CG 3.82Å; F395-Y423 PolarHBondContact N-O 3.34Å; F395-Y423 PolarHBondContact O-N 3.23Å; T397-Y423 HydrophobicContact CG2-CD2 3.96Å; T397-Y423 HydrophobicContact CG2-CE2 4.11Å; T397-Y423 VanDerWaalsContact OG1-CE2 3.3Å; T397-Y423 WeakPolarHBondContact OG1-CE2 3.35Å; R401-Y423 PolarHBondContact NH2-OH 2.84Å; I421-Y423 HydrophobicContact CB-CE2 4Å; I421-Y423 HydrophobicContact CG2-CD2 4.03Å; I421-Y423 HydrophobicContact CG2-CE1 4.42Å; I421-Y423 HydrophobicContact CG2-CE2 3.55Å; Y423-F425 AromaticContact CD1-CE1 3.73Å; Y423-F425 HydrophobicContact CD1-CE1 3.73Å; Y423-F425 HydrophobicContact CE1-CE1 4.45Å; Y423-F425 HydrophobicContact CG-CE1 4.11Å; Y423-V445 HydrophobicContact CD1-CG1 4.27Å; Y423-V445 HydrophobicContact CE1-CG1 4.5Å; Y423-S446 WeakPolarHBondContact CA-O 3.07Å; Y423-E447 HydrophobicContact CD1-CB 4.31Å; Y423-E447 HydrophobicContact CD1-CG 4.45Å; Y423-E447 HydrophobicContact CE1-CB 4Å; Y423-E447 HydrophobicContact CE1-CG 3.95Å; Y423-E447 PolarHBondContact OH-OE2 3.44Å
424	I	88.2	Confident	80.9	Confident	42 Å²	42	51.9 Å²	51.9	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	114.6	167.8	-57.2	176.5	0	0	0	107.1	L392 V393 S446 L448	L392-I424 HydrophobicContact CD1-CG2 3.34Å; L392-I424 HydrophobicContact CD2-CG2 4.07Å; L392-I424 HydrophobicContact CG-CG2 3.63Å; V393-I424 CarbonylContact O-C 3.52Å; V393-I424 WeakPolarHBondContact O-CA 3.44Å; I424-S446 PolarHBondContact N-O 3.4Å; I424-S446 PolarHBondContact O-N 3Å; I424-L448 HydrophobicContact CD1-CD1 4.09Å; I424-L448 HydrophobicContact CD1-CD2 4.46Å; I424-L448 HydrophobicContact CD1-CG 4.41Å; I424-L448 HydrophobicContact CG1-CD1 4.12Å
425	F	88.2	Confident	82	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.3	177.6	-80	23.1	0	0	0	109.4	V317 L318 V393 F395 Y423 F427 I442 V445	V317-F425 HydrophobicContact CG1-CE2 4.28Å; L318-F425 HydrophobicContact CD2-CZ 4.21Å; V393-F425 PolarHBondContact N-O 3.15Å; V393-F425 PolarHBondContact O-N 3.5Å; F395-F425 HydrophobicContact CE1-CB 4.2Å; F395-F425 AromaticContact CE1-CD1 3.72Å; F395-F425 HydrophobicContact CE1-CD1 3.72Å; F395-F425 AromaticContact CE1-CD2 3.88Å; F395-F425 HydrophobicContact CE1-CD2 3.88Å; F395-F425 AromaticContact CE1-CE1 3.99Å; F395-F425 HydrophobicContact CE1-CE1 3.99Å; F395-F425 HydrophobicContact CE1-CE2 4.16Å; F395-F425 AromaticContact CE1-CG 3.66Å; F395-F425 HydrophobicContact CE1-CG 3.66Å; F395-F425 HydrophobicContact CE1-CZ 4.23Å; F395-F425 AromaticContact CZ-CD1 3.85Å; F395-F425 HydrophobicContact CZ-CD1 3.85Å; F395-F425 HydrophobicContact CZ-CD2 4.1Å; F395-F425 AromaticContact CZ-CE1 3.61Å; F395-F425 HydrophobicContact CZ-CE1 3.61Å; F395-F425 AromaticContact CZ-CE2 3.9Å; F395-F425 HydrophobicContact CZ-CE2 3.9Å; F395-F425 HydrophobicContact CZ-CG 4.1Å; F395-F425 AromaticContact CZ-CZ 3.66Å; F395-F425 HydrophobicContact CZ-CZ 3.66Å; Y423-F425 AromaticContact CD1-CE1 3.73Å; Y423-F425 HydrophobicContact CD1-CE1 3.73Å; Y423-F425 HydrophobicContact CE1-CE1 4.45Å; Y423-F425 HydrophobicContact CG-CE1 4.11Å; F425-F427 HydrophobicContact CB-CD2 4.31Å; F425-F427 HydrophobicContact CB-CE2 3.74Å; F425-F427 HydrophobicContact CB-CZ 4.05Å; F425-F427 HydrophobicContact CD2-CE2 4.43Å; F425-F427 AromaticContact CD2-CZ 3.92Å; F425-F427 HydrophobicContact CD2-CZ 3.92Å; F425-I442 HydrophobicContact CD2-CD1 3.8Å; F425-I442 HydrophobicContact CD2-CG1 4.37Å; F425-I442 HydrophobicContact CD2-CG2 4.41Å; F425-I442 HydrophobicContact CE2-CD1 3.82Å; F425-V445 HydrophobicContact CD1-CB 4.22Å; F425-V445 HydrophobicContact CD1-CG1 3.82Å; F425-V445 HydrophobicContact CD1-CG2 3.88Å; F425-V445 HydrophobicContact CE1-CB 4.04Å; F425-V445 HydrophobicContact CE1-CG1 3.29Å; F425-V445 HydrophobicContact CE1-CG2 3.72Å; F425-V445 HydrophobicContact CE2-CG2 4.39Å; F425-V445 HydrophobicContact CG-CG2 4.3Å; F425-V445 HydrophobicContact CZ-CG1 4.05Å; F425-V445 HydrophobicContact CZ-CG2 3.97Å
426	V	89.6	Confident	82.5	Confident	29 Å²	29	52 Å²	52	18%	0.176	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	110.4	171	-175.6	0	0	0	0	108.2	L390 L392 M443 E444	L390-V426 HydrophobicContact CB-CG1 4.47Å; L390-V426 HydrophobicContact CD1-CG1 4.33Å; L390-V426 HydrophobicContact CD2-CG1 4.3Å; L392-V426 HydrophobicContact CD1-CG2 3.5Å; V426-M443 HydrophobicContact CB-CB 4.19Å; V426-M443 HydrophobicContact CG1-CB 4.09Å; V426-M443 PolarHBondContact O-N 2.94Å; V426-E444 HydrophobicContact CB-CB 4.33Å; V426-E444 HydrophobicContact CG2-CB 4.11Å; V426-E444 PolarHBondContact N-O 3.32Å
427	F	90.3	Very high	82.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.6	173.9	-68	-77.9	0	0	0	110.3	F305 I313 L390 L391 V393 F425 W440 K441 I442	F305-F427 HydrophobicContact CZ-CB 4.18Å; F305-F427 HydrophobicContact CZ-CD2 4.08Å; F305-F427 HydrophobicContact CZ-CG 4.08Å; I313-F427 HydrophobicContact CD1-CE1 4.39Å; I313-F427 HydrophobicContact CG2-CE1 3.74Å; I313-F427 HydrophobicContact CG2-CZ 4.31Å; L390-F427 CarbonylContact C-O 3.52Å; L390-F427 VanDerWaalsContact CA-O 3.3Å; L390-F427 WeakPolarHBondContact CA-O 3.37Å; L391-F427 PolarHBondContact N-O 3.34Å; L391-F427 PolarHBondContact O-N 3.06Å; V393-F427 HydrophobicContact CB-CD2 3.93Å; V393-F427 HydrophobicContact CB-CE2 3.71Å; V393-F427 HydrophobicContact CG1-CE2 4.26Å; V393-F427 HydrophobicContact CG2-CD2 3.51Å; V393-F427 HydrophobicContact CG2-CE2 3.66Å; F425-F427 HydrophobicContact CB-CD2 4.31Å; F425-F427 HydrophobicContact CB-CE2 3.74Å; F425-F427 HydrophobicContact CB-CZ 4.05Å; F425-F427 HydrophobicContact CD2-CE2 4.43Å; F425-F427 AromaticContact CD2-CZ 3.92Å; F425-F427 HydrophobicContact CD2-CZ 3.92Å; F427-W440 HydrophobicContact CB-CE3 3.93Å; F427-W440 HydrophobicContact CB-CZ3 4.28Å; F427-K441 WeakPolarHBondContact CA-O 3.41Å; F427-I442 HydrophobicContact CD1-CG1 3.92Å; F427-I442 HydrophobicContact CE1-CD1 4.1Å; F427-I442 HydrophobicContact CE1-CG1 3.55Å; F427-I442 HydrophobicContact CZ-CG1 4.41Å
428	C	88.2	Confident	82.7	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.007	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.5	166.9	-167.9	0	0	0	0	109.7	W214 L390 K441 M443	W214-C428 HydrophobicContact CH2-CB 4.13Å; W214-C428 WeakPolarHBondContact CH2-SG 3.28Å; W214-C428 HydrophobicContact CZ3-CB 4.05Å; W214-C428 WeakPolarHBondContact CZ3-SG 3.46Å; L390-C428 HydrophobicContact CD2-CB 3.36Å; L390-C428 WeakPolarHBondContact CD2-SG 3.48Å; C428-K441 PolarHBondContact N-O 2.8Å; C428-K441 PolarHBondContact O-N 2.96Å; C428-M443 HydrophobicContact CB-CG 3.63Å; C428-M443 HydrophobicContact CB-SD 4.17Å
429	R	88	Confident	83	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.2	170.3	-165.2	-178.9	170	-72.6	-13.5	109.6	E297 P389 A439 W440	E297-R429 IonicContact OE1-CZ 3.54Å; E297-R429 VanDerWaalsContact OE1-CZ 3.22Å; E297-R429 IonicContact OE1-NE 3.15Å; E297-R429 PolarHBondContact OE1-NE 3.1Å; E297-R429 IonicContact OE1-NH2 2.93Å; E297-R429 PolarHBondContact OE1-NH2 2.85Å; P389-R429 HydrophobicContact CG-CB 3.88Å; P389-R429 PolarHBondContact O-N 3.07Å; R429-A439 HydrophobicContact CG-CB 4.12Å; R429-W440 HydrophobicContact CB-CD2 4.43Å; R429-W440 HydrophobicContact CB-CE3 3.95Å; R429-W440 HydrophobicContact CB-CH2 3.9Å; R429-W440 HydrophobicContact CB-CZ2 4.33Å; R429-W440 HydrophobicContact CB-CZ3 3.69Å; R429-W440 HydrophobicContact CG-CD2 4.47Å; R429-W440 HydrophobicContact CG-CE3 4.47Å; R429-W440 HydrophobicContact CG-CH2 4.21Å; R429-W440 HydrophobicContact CG-CZ2 4.15Å; R429-W440 HydrophobicContact CG-CZ3 4.36Å
430	N	85.1	Confident	83.4	Confident	41 Å²	41	47.4 Å²	47.4	22%	0.219	25%	0.25	C	S	.	.			trans	-75.3	121.4	165.8	-174.7	6.7	0	0	0	109.2	E432 E433 A439	N430-E432 VanDerWaalsContact C-N 3.3Å; N430-E432 PolarHBondContact OD1-N 3.38Å; N430-E432 VanDerWaalsContact OD1-N 3.13Å; N430-E433 HydrophobicContact CB-CB 4.27Å; N430-A439 PolarHBondContact N-O 3.27Å
431	V	81.1	Confident	83.6	Confident	74 Å²	74	50 Å²	50	45%	0.448	26%	0.259	S	S	.	.	S	Bend	trans	-74	-24.8	-179.4	-179	0	0	0	0	112	V296	V296-V431 HydrophobicContact CG2-CG1 4.09Å
432	E	81.1	Confident	83.9	Confident	146 Å²	146	50 Å²	50	68%	0.682	26%	0.258	S	S	*	.	S	Bend	trans	-75.4	-24	-179.3	-58.6	-178.1	162.7	0	0	113.2	K210 N430	K210-E432 IonicContact NZ-OE2 2.62Å; K210-E432 PolarHBondContact NZ-OE2 2.81Å; N430-E432 VanDerWaalsContact C-N 3.3Å; N430-E432 PolarHBondContact OD1-N 3.38Å; N430-E432 VanDerWaalsContact OD1-N 3.13Å
433	E	80.3	Confident	83.9	Confident	80 Å²	80	50.3 Å²	50.3	37%	0.374	26%	0.256	S	S	.	.			trans	-81.9	124.1	-175.5	-169.4	57.6	-122.1	0	0	110.4	N430 A438 A439	N430-E433 HydrophobicContact CB-CB 4.27Å; E433-A438 HydrophobicContact CG-CB 4.32Å; E433-A439 HydrophobicContact CB-CB 4.03Å; E433-A439 HydrophobicContact CG-CB 4.24Å
434	L	73.2	Confident	83.8	Confident	159 Å²	159	52.3 Å²	52.3	83%	0.832	27%	0.266	S	S	*	.			trans	-82	-28.9	-177.4	-169.3	68.5	0	0	0	111.7	P436	L434-P436 VanDerWaalsContact O-CD 3.3Å; L434-P436 WeakPolarHBondContact O-CD 3.48Å
435	D	79.7	Confident	83.5	Confident	76 Å²	76	51.1 Å²	51.1	41%	0.406	26%	0.261	S	S	.	.			trans	-78	114.9	176.6	-172.2	-5.1	0	0	0	110.6	R437 A438 A439	D435-R437 PolarHBondContact O-N 3.23Å; D435-R437 VanDerWaalsContact O-N 3.1Å; D435-R437 PolarHBondContact OD1-N 2.9Å; D435-R437 VanDerWaalsContact OD1-N 3.08Å; D435-A438 HydrophobicContact CB-CB 4.37Å; D435-A438 PolarHBondContact O-N 3.38Å; D435-A439 WeakPolarHBondContact O-CB 3.35Å; D435-A439 PolarHBondContact O-N 2.84Å; D435-A439 VanDerWaalsContact O-N 3.11Å
436	P	74.1	Confident	83.1	Confident	56 Å²	56	53.9 Å²	53.9	36%	0.364	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.1	-179.7	25.2	-37.2	0	0	0	114	E297 L434 W440	E297-P436 VanDerWaalsContact CD-CB 3.43Å; E297-P436 HydrophobicContact CG-CB 4.27Å; E297-P436 WeakPolarHBondContact OE1-CA 3.41Å; E297-P436 WeakPolarHBondContact OE1-CB 3.17Å; E297-P436 WeakPolarHBondContact OE2-CB 3.28Å; L434-P436 VanDerWaalsContact O-CD 3.3Å; L434-P436 WeakPolarHBondContact O-CD 3.48Å; P436-W440 PolarHBondContact O-NE1 3.07Å
437	R	75.6	Confident	82.6	Confident	172 Å²	172	56.5 Å²	56.5	65%	0.649	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-37.7	-178.2	-58.9	-177	-169.8	-162.3	3.2	112.4	D435	D435-R437 PolarHBondContact O-N 3.23Å; D435-R437 VanDerWaalsContact O-N 3.1Å; D435-R437 PolarHBondContact OD1-N 2.9Å; D435-R437 VanDerWaalsContact OD1-N 3.08Å
438	A	77.3	Confident	81.8	Confident	57 Å²	57	59.3 Å²	59.3	47%	0.471	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-10.1	-179.5	0	0	0	0	0	113.2	E433 D435 W440	E433-A438 HydrophobicContact CG-CB 4.32Å; D435-A438 HydrophobicContact CB-CB 4.37Å; D435-A438 PolarHBondContact O-N 3.38Å; A438-W440 PolarHBondContact O-N 3.39Å
439	A	85	Confident	80.6	Confident	1 Å²	1	68 Å²	68	1%	0.008	34%	0.338	C	S	.	.	S	Bend	trans	-68.1	-16.2	-176.2	0	0	0	0	0	114.4	R429 N430 E433 D435	R429-A439 HydrophobicContact CG-CB 4.12Å; N430-A439 PolarHBondContact N-O 3.27Å; E433-A439 HydrophobicContact CB-CB 4.03Å; E433-A439 HydrophobicContact CG-CB 4.24Å; D435-A439 WeakPolarHBondContact O-CB 3.35Å; D435-A439 PolarHBondContact O-N 2.84Å; D435-A439 VanDerWaalsContact O-N 3.11Å
440	W	88	Confident	79.2	Confident	7 Å²	7	71.2 Å²	71.2	3%	0.027	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.9	-171.9	-62.5	97.7	0	0	0	112.6	I293 F300 F305 I313 L391 F427 R429 P436 A438	I293-W440 HydrophobicContact CD1-CH2 3.99Å; F300-W440 HydrophobicContact CD2-CZ2 4.5Å; F300-W440 HydrophobicContact CE2-CH2 4.2Å; F300-W440 AromaticContact CE2-CZ2 3.82Å; F300-W440 HydrophobicContact CE2-CZ2 3.82Å; F305-W440 HydrophobicContact CD2-CD2 4.28Å; F305-W440 AromaticContact CD2-CE2 3.73Å; F305-W440 HydrophobicContact CD2-CH2 4.14Å; F305-W440 AromaticContact CD2-CZ2 3.67Å; F305-W440 HydrophobicContact CD2-CZ2 3.67Å; F305-W440 AromaticContact CE2-CD2 3.46Å; F305-W440 HydrophobicContact CE2-CD2 3.46Å; F305-W440 VanDerWaalsContact CE2-CD2 3.46Å; F305-W440 AromaticContact CE2-CE2 3.39Å; F305-W440 AromaticContact CE2-CE3 3.71Å; F305-W440 HydrophobicContact CE2-CE3 3.71Å; F305-W440 HydrophobicContact CE2-CG 4.06Å; F305-W440 AromaticContact CE2-CH2 3.79Å; F305-W440 HydrophobicContact CE2-CH2 3.79Å; F305-W440 AromaticContact CE2-CZ2 3.58Å; F305-W440 HydrophobicContact CE2-CZ2 3.58Å; F305-W440 AromaticContact CE2-CZ3 3.85Å; F305-W440 HydrophobicContact CE2-CZ3 3.85Å; F305-W440 AromaticContact CE2-NE1 3.94Å; F305-W440 HydrophobicContact CZ-CD2 4.2Å; F305-W440 AromaticContact CZ-CE3 3.99Å; F305-W440 HydrophobicContact CZ-CE3 3.99Å; F305-W440 HydrophobicContact CZ-CH2 4.15Å; F305-W440 HydrophobicContact CZ-CZ2 4.4Å; F305-W440 AromaticContact CZ-CZ3 3.94Å; F305-W440 HydrophobicContact CZ-CZ3 3.94Å; I313-W440 HydrophobicContact CD1-CB 4.06Å; I313-W440 HydrophobicContact CD1-CG 4.41Å; L391-W440 HydrophobicContact CD1-CH2 3.58Å; L391-W440 HydrophobicContact CD1-CZ3 3.87Å; L391-W440 HydrophobicContact CG-CH2 4.44Å; L391-W440 HydrophobicContact CG-CZ3 4.37Å; F427-W440 HydrophobicContact CB-CE3 3.93Å; F427-W440 HydrophobicContact CB-CZ3 4.28Å; R429-W440 HydrophobicContact CB-CD2 4.43Å; R429-W440 HydrophobicContact CB-CE3 3.95Å; R429-W440 HydrophobicContact CB-CH2 3.9Å; R429-W440 HydrophobicContact CB-CZ2 4.33Å; R429-W440 HydrophobicContact CB-CZ3 3.69Å; R429-W440 HydrophobicContact CG-CD2 4.47Å; R429-W440 HydrophobicContact CG-CE3 4.47Å; R429-W440 HydrophobicContact CG-CH2 4.21Å; R429-W440 HydrophobicContact CG-CZ2 4.15Å; R429-W440 HydrophobicContact CG-CZ3 4.36Å; P436-W440 PolarHBondContact O-NE1 3.07Å; A438-W440 PolarHBondContact O-N 3.39Å
441	K	88.6	Confident	77.2	Confident	83 Å²	83	78.6 Å²	78.6	36%	0.361	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.7	171.8	-70	-165.8	171.9	-164.8	0	112	W344 F427 C428	W344-K441 WeakPolarHBondContact O-CA 3.21Å; F427-K441 WeakPolarHBondContact CA-O 3.41Å; C428-K441 PolarHBondContact N-O 2.8Å; C428-K441 PolarHBondContact O-N 2.96Å
442	I	88.2	Confident	75.5	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.2	176.4	-59.2	170.3	0	0	0	109.4	I313 V317 W344 T346 A349 F425 F427 V445	I313-I442 HydrophobicContact CG2-CD1 4.33Å; V317-I442 HydrophobicContact CB-CD1 4.27Å; V317-I442 HydrophobicContact CG1-CD1 3.98Å; V317-I442 HydrophobicContact CG2-CD1 3.71Å; W344-I442 PolarHBondContact O-N 2.91Å; T346-I442 PolarHBondContact N-O 3.14Å; T346-I442 PolarHBondContact OG1-O 2.75Å; A349-I442 HydrophobicContact CB-CG2 4Å; A349-I442 WeakPolarHBondContact CB-O 3.41Å; F425-I442 HydrophobicContact CD2-CD1 3.8Å; F425-I442 HydrophobicContact CD2-CG1 4.37Å; F425-I442 HydrophobicContact CD2-CG2 4.41Å; F425-I442 HydrophobicContact CE2-CD1 3.82Å; F427-I442 HydrophobicContact CD1-CG1 3.92Å; F427-I442 HydrophobicContact CE1-CD1 4.1Å; F427-I442 HydrophobicContact CE1-CG1 3.55Å; F427-I442 HydrophobicContact CZ-CG1 4.41Å; I442-V445 HydrophobicContact CG2-CG2 3.64Å
443	M	86	Confident	74	Confident	19 Å²	19	75.8 Å²	75.8	9%	0.094	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-46.2	180	-72.3	-62	-52.3	0	0	112.5	W214 T346 A349 L390 V426 C428	W214-M443 HydrophobicContact CB-CE 4.32Å; W214-M443 HydrophobicContact CD2-CE 4.35Å; W214-M443 HydrophobicContact CD2-SD 4.04Å; W214-M443 HydrophobicContact CE3-CE 3.63Å; W214-M443 HydrophobicContact CE3-SD 3.38Å; W214-M443 HydrophobicContact CZ3-CE 4.35Å; W214-M443 HydrophobicContact CZ3-SD 3.68Å; T346-M443 HydrophobicContact CG2-CE 4.21Å; T346-M443 HydrophobicContact CG2-SD 3.34Å; T346-M443 WeakPolarHBondContact CG2-SD 3.07Å; T346-M443 WeakPolarHBondContact OG1-CA 3.43Å; T346-M443 PolarHBondContact OG1-O 3.12Å; A349-M443 WeakPolarHBondContact CB-O 3.03Å; L390-M443 HydrophobicContact CD2-CG 4.29Å; V426-M443 HydrophobicContact CB-CB 4.19Å; V426-M443 HydrophobicContact CG1-CB 4.09Å; V426-M443 PolarHBondContact O-N 2.94Å; C428-M443 HydrophobicContact CB-CG 3.63Å; C428-M443 HydrophobicContact CB-SD 4.17Å
444	E	83	Confident	71.8	Confident	52 Å²	52	81.5 Å²	81.5	24%	0.243	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	145.2	-175	-169.6	168.3	168.1	0	0	109.8	W218 V426	W218-E444 PolarHBondContact NE1-OE2 3.07Å; V426-E444 HydrophobicContact CB-CB 4.33Å; V426-E444 HydrophobicContact CG2-CB 4.11Å; V426-E444 PolarHBondContact N-O 3.32Å
445	V	82.2	Confident	71.7	Confident	17 Å²	17	77.6 Å²	77.6	10%	0.103	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.4	178.1	173	0	0	0	0	108.9	Q352 L353 Y423 F425 I442	Q352-V445 PolarHBondContact OE1-O 3.4Å; Q352-V445 VanDerWaalsContact OE1-O 3.11Å; L353-V445 HydrophobicContact CD1-CG2 4.18Å; L353-V445 HydrophobicContact CD2-CB 4.28Å; L353-V445 HydrophobicContact CD2-CG1 3.91Å; L353-V445 HydrophobicContact CD2-CG2 4.24Å; L353-V445 HydrophobicContact CG-CB 4.47Å; L353-V445 HydrophobicContact CG-CG2 4.18Å; Y423-V445 HydrophobicContact CD1-CG1 4.27Å; Y423-V445 HydrophobicContact CE1-CG1 4.5Å; F425-V445 HydrophobicContact CD1-CB 4.22Å; F425-V445 HydrophobicContact CD1-CG1 3.82Å; F425-V445 HydrophobicContact CD1-CG2 3.88Å; F425-V445 HydrophobicContact CE1-CB 4.04Å; F425-V445 HydrophobicContact CE1-CG1 3.29Å; F425-V445 HydrophobicContact CE1-CG2 3.72Å; F425-V445 HydrophobicContact CE2-CG2 4.39Å; F425-V445 HydrophobicContact CG-CG2 4.3Å; F425-V445 HydrophobicContact CZ-CG1 4.05Å; F425-V445 HydrophobicContact CZ-CG2 3.97Å; I442-V445 HydrophobicContact CG2-CG2 3.64Å
446	S	81.3	Confident	71.3	Confident	58 Å²	58	77.7 Å²	77.7	41%	0.406	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.7	172.1	-162.4	0	0	0	0	110.4	Y423 I424	Y423-S446 WeakPolarHBondContact CA-O 3.07Å; I424-S446 PolarHBondContact N-O 3.4Å; I424-S446 PolarHBondContact O-N 3Å
447	E	78.5	Confident	71.2	Confident	84 Å²	84	78.9 Å²	78.9	39%	0.393	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117	170.9	-171.4	173.2	137.7	0	0	109.5	R401 I421 Y423	R401-E447 IonicContact CZ-OE1 2.71Å; R401-E447 IonicContact CZ-OE2 2.79Å; R401-E447 IonicContact NH1-OE1 2.92Å; R401-E447 PolarHBondContact NH1-OE1 2.85Å; R401-E447 IonicContact NH1-OE2 3.22Å; R401-E447 PolarHBondContact NH1-OE2 3.3Å; R401-E447 VanDerWaalsContact NH1-OE2 3.15Å; R401-E447 IonicContact NH2-OE1 3.23Å; R401-E447 IonicContact NH2-OE2 3.35Å; R401-E447 PolarHBondContact NH2-OE2 3.44Å; I421-E447 HydrophobicContact CG2-CG 3.35Å; Y423-E447 HydrophobicContact CD1-CB 4.31Å; Y423-E447 HydrophobicContact CD1-CG 4.45Å; Y423-E447 HydrophobicContact CE1-CB 4Å; Y423-E447 HydrophobicContact CE1-CG 3.95Å; Y423-E447 PolarHBondContact OH-OE2 3.44Å
448	L	73.3	Confident	70.9	Confident	60 Å²	60	73.4 Å²	73.4	31%	0.314	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	140.3	167.4	-62.9	165	0	0	0	108.7	G422 I424	G422-L448 WeakPolarHBondContact O-CA 2.76Å; G422-L448 VanDerWaalsContact O-CB 3.27Å; G422-L448 WeakPolarHBondContact O-CB 3.47Å; G422-L448 PolarHBondContact O-N 3.05Å; I424-L448 HydrophobicContact CD1-CD1 4.09Å; I424-L448 HydrophobicContact CD1-CD2 4.46Å; I424-L448 HydrophobicContact CD1-CG 4.41Å; I424-L448 HydrophobicContact CG1-CD1 4.12Å
449	R	62.4	Low	70.5	Confident	182 Å²	182	74.4 Å²	74.4	69%	0.687	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-47	139	-172.2	-88.8	-158.5	-159.9	168.6	8	113.1	R451	R449-R451 PolarHBondContact O-N 3.42Å
450	P	60.1	Low	69.5	Low	71 Å²	71	79.3 Å²	79.3	46%	0.461	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	131.4	174.1	22	-31.9	0	0	0	111.4	V419 S420 I421	V419-P450 HydrophobicContact CG1-CB 3.14Å; V419-P450 HydrophobicContact CG1-CG 4.45Å; S420-P450 CarbonylContact O-C 3.3Å; S420-P450 WeakPolarHBondContact O-CA 3.36Å; I421-P450 HydrophobicContact CG1-CB 4.11Å
451	R	42	Very low	68.2	Low	195 Å²	195	84.5 Å²	84.5	74%	0.736	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.2	163	-69.3	-177.3	176.4	178.1	-0.7	107.6	S420 R449 I453	S420-R451 PolarHBondContact N-O 3.01Å; S420-R451 PolarHBondContact O-N 3.34Å; R449-R451 PolarHBondContact O-N 3.42Å; R451-I453 PolarHBondContact O-N 3.46Å
452	A	45	Very low	66.6	Low	79 Å²	79	84.6 Å²	84.6	65%	0.653	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	132.5	168.1	0	0	0	0	0	108.5	V454	A452-V454 PolarHBondContact O-N 3.44Å
453	I	50.4	Low	64.9	Low	82 Å²	82	91.6 Å²	91.6	42%	0.421	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-79.2	116.9	168.4	-50.2	177	0	0	0	105.2	H398 P418 S420 R451	H398-I453 WeakPolarHBondContact ND1-CD1 3.18Å; P418-I453 HydrophobicContact CB-CD1 4.4Å; P418-I453 HydrophobicContact CG-CD1 4.23Å; S420-I453 WeakPolarHBondContact OG-CD1 3.3Å; S420-I453 WeakPolarHBondContact OG-CG1 3.32Å; R451-I453 PolarHBondContact O-N 3.46Å
454	V	34	Very low	62.9	Low	200 Å²	200	98.2 Å²	98.2	100%	1.212	51%	0.512	S	S	*	.			trans	-88.7	0	177.7	177.9	0	0	0	0	109.7	A452	A452-V454 PolarHBondContact O-N 3.44Å

Retrieved 454 of 454 residues in 153 ms (Link to these results)

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