A0A077YWL4_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077YWL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 676 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	44	Very low	43.3	Very low	231 Å²	231	161.7 Å²	161.7	100%	1.138	78%	0.783	S	S	*	*				0	58.5	0	-68	176	171.5	0	0	108.3
2	D	40	Very low	43.7	Very low	159 Å²	159	160.7 Å²	160.7	85%	0.85	80%	0.798	S	S	*	*			trans	-129.1	18.2	-156.7	-61.8	-101.7	0	0	0	112.3
3	E	43.3	Very low	44.9	Very low	184 Å²	184	156.5 Å²	156.5	86%	0.86	78%	0.781	S	S	*	*	S	Bend	trans	-118.2	-3.1	-157.7	-150.2	161.2	-168.1	0	0	113.8
4	Q	46.3	Very low	44.7	Very low	179 Å²	179	149.6 Å²	149.6	84%	0.836	77%	0.77	S	S	*	*	S	Bend	trans	-110.3	17.4	-174.4	-69.6	-172.9	-30.4	0	0	114.8
5	L	42.1	Very low	45.1	Very low	164 Å²	164	143 Å²	143	86%	0.859	74%	0.742	S	S	*	*	S	Bend	trans	-115.3	5.4	-176.2	-90.3	167.4	0	0	0	115
6	H	41.6	Very low	45	Very low	168 Å²	168	142.9 Å²	142.9	78%	0.778	74%	0.742	S	S	*	*	S	Bend	trans	-101.8	-16	-173.1	-133.3	76.5	0	0	0	115.4	N8	H6-N8 PolarHBondContact O-N 3.22Å
7	E	43.9	Very low	44.8	Very low	165 Å²	165	147.9 Å²	147.9	77%	0.771	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-13.2	-168	-62.4	-175.5	116.6	0	0	115.4	Y9	E7-Y9 PolarHBondContact O-N 3.47Å
8	N	46.3	Very low	44.5	Very low	138 Å²	138	148.1 Å²	148.1	74%	0.738	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	2.3	-169.5	-79.6	-66.6	0	0	0	115.9	H6	H6-N8 PolarHBondContact O-N 3.22Å
9	Y	39.4	Very low	44.6	Very low	205 Å²	205	149.9 Å²	149.9	80%	0.804	75%	0.754	S	S	*	*	S	Bend	trans	-131.7	-2.5	-172.1	-83.6	-82.9	0	0	0	116.3	E7	E7-Y9 PolarHBondContact O-N 3.47Å
10	V	40.7	Very low	44.1	Very low	100 Å²	100	149.2 Å²	149.2	61%	0.606	75%	0.753	S	S	*	*			trans	-133	126.9	-178.6	-172	0	0	0	0	109
11	K	48.2	Very low	43.6	Very low	86 Å²	86	148 Å²	148	37%	0.374	76%	0.757	S	S	.	*			trans	-71.4	152.6	169.2	-72.1	-177.7	-169.8	165.2	0	110.2	D13 G14 S15	K11-D13 WeakPolarHBondContact CB-OD1 3.36Å; K11-D13 WeakPolarHBondContact CD-OD1 3.36Å; K11-D13 VanDerWaalsContact CD-OD2 3.26Å; K11-D13 WeakPolarHBondContact CD-OD2 3.43Å; K11-D13 IonicContact NZ-OD2 2.4Å; K11-D13 PolarHBondContact NZ-OD2 3.19Å; K11-D13 PolarHBondContact O-N 3.03Å; K11-G14 PolarHBondContact O-N 3.32Å; K11-S15 VanDerWaalsContact CD-O 3.26Å; K11-S15 WeakPolarHBondContact CD-O 3.36Å; K11-S15 WeakPolarHBondContact CG-O 3.37Å; K11-S15 PolarHBondContact NZ-OG 2.89Å
12	P	48.6	Very low	43.2	Very low	149 Å²	149	146.3 Å²	146.3	97%	0.968	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-4.3	175.2	27.8	-35.4	0	0	0	115.4
13	D	58.8	Low	43.1	Very low	106 Å²	106	144.9 Å²	144.9	57%	0.567	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-2.1	172.2	64.9	5.3	0	0	0	113.2	K11 S15	K11-D13 WeakPolarHBondContact CB-OD1 3.36Å; K11-D13 WeakPolarHBondContact CD-OD1 3.36Å; K11-D13 VanDerWaalsContact CD-OD2 3.26Å; K11-D13 WeakPolarHBondContact CD-OD2 3.43Å; K11-D13 IonicContact NZ-OD2 2.4Å; K11-D13 PolarHBondContact NZ-OD2 3.19Å; K11-D13 PolarHBondContact O-N 3.03Å; D13-S15 VanDerWaalsContact C-N 3.27Å; D13-S15 PolarHBondContact O-N 3.1Å; D13-S15 VanDerWaalsContact OD1-CB 3.3Å; D13-S15 WeakPolarHBondContact OD1-CB 3.31Å; D13-S15 PolarHBondContact OD1-N 3.35Å
14	G	43	Very low	43	Very low	61 Å²	61	141.9 Å²	141.9	63%	0.629	74%	0.737	S	S	*	*			trans	75.9	1.8	-175.2	0	0	0	0	0	115.5	K11	K11-G14 PolarHBondContact O-N 3.32Å
15	S	50.6	Low	42.5	Very low	50 Å²	50	140.5 Å²	140.5	35%	0.35	74%	0.736	S	S	.	*			trans	-88.3	117.7	-175.9	162.6	0	0	0	0	112.1	K11 D13	K11-S15 VanDerWaalsContact CD-O 3.26Å; K11-S15 WeakPolarHBondContact CD-O 3.36Å; K11-S15 WeakPolarHBondContact CG-O 3.37Å; K11-S15 PolarHBondContact NZ-OG 2.89Å; D13-S15 VanDerWaalsContact C-N 3.27Å; D13-S15 PolarHBondContact O-N 3.1Å; D13-S15 VanDerWaalsContact OD1-CB 3.3Å; D13-S15 WeakPolarHBondContact OD1-CB 3.31Å; D13-S15 PolarHBondContact OD1-N 3.35Å
16	L	43.7	Very low	42.2	Very low	141 Å²	141	136.5 Å²	136.5	74%	0.738	73%	0.734	S	S	*	*			trans	-63.7	152.2	166.9	-85.3	160	0	0	0	111
17	R	41.2	Very low	41.8	Very low	229 Å²	229	137.2 Å²	137.2	86%	0.864	74%	0.735	S	S	*	*			trans	-83.5	114.4	172.8	-85.4	-178.1	165.7	172	-2.9	110.1
18	D	38.8	Very low	41.4	Very low	150 Å²	150	136.5 Å²	136.5	80%	0.802	74%	0.741	S	S	*	*			trans	-59.4	139.7	172.5	-53.2	-73.5	0	0	0	112.3
19	K	46.7	Very low	40.7	Very low	183 Å²	183	135.4 Å²	135.4	80%	0.796	74%	0.74	S	S	*	*			trans	-154.8	119.7	136.1	-80.7	-133.1	171.1	-156.5	0	111.1
20	D	34.8	Very low	40.3	Very low	136 Å²	136	130.9 Å²	130.9	73%	0.727	74%	0.736	S	S	*	*	S	Bend	trans	68.1	64.7	144	-43.3	-23.1	0	0	0	118.5
21	C	34.3	Very low	39.9	Very low	125 Å²	125	133.5 Å²	133.5	85%	0.845	74%	0.741	S	S	*	*			trans	-154	110.7	145.4	-97.7	0	0	0	0	111.5
22	E	35.3	Very low	39.3	Very low	195 Å²	195	134.5 Å²	134.5	91%	0.911	76%	0.757	S	S	*	*			trans	-68.2	135	172.6	-64.5	179.2	126.5	0	0	110.9
23	T	37.3	Very low	38.3	Very low	128 Å²	128	134.7 Å²	134.7	79%	0.785	75%	0.749	S	S	*	*			trans	-124.8	107.7	174.3	-58.5	0	0	0	0	109.2
24	V	41.2	Very low	37.4	Very low	121 Å²	121	136.3 Å²	136.3	73%	0.733	76%	0.756	S	S	*	*			trans	-108.3	125.5	175.9	178.5	0	0	0	0	109.3
25	N	37.1	Very low	36.9	Very low	150 Å²	150	138.4 Å²	138.4	80%	0.802	76%	0.761	S	S	*	*			trans	58.6	79.1	171.9	-60.4	-15.1	0	0	0	116.1	K27	N25-K27 PolarHBondContact O-N 3.15Å
26	G	33.8	Very low	36.8	Very low	80 Å²	80	141.8 Å²	141.8	83%	0.825	78%	0.779	S	S	*	*			trans	-67.4	93	174.3	0	0	0	0	0	114.1
27	K	34.3	Very low	36.6	Very low	183 Å²	183	143 Å²	143	80%	0.796	79%	0.786	S	S	*	*			trans	-154.7	100.4	164.1	-162.4	175.4	-172.7	179	0	111	N25	N25-K27 PolarHBondContact O-N 3.15Å
28	V	35.7	Very low	36.9	Very low	150 Å²	150	135 Å²	135	91%	0.909	78%	0.776	S	S	*	*			trans	-130.2	75.8	176.2	-170.2	0	0	0	0	110.8
29	T	30.4	Very low	36.9	Very low	116 Å²	116	134.1 Å²	134.1	71%	0.712	78%	0.778	S	S	*	*			trans	-88.5	161.9	155.6	35.2	0	0	0	0	109.9
30	P	31.2	Very low	36	Very low	110 Å²	110	133.6 Å²	133.6	71%	0.714	78%	0.781	S	S	*	*			trans	-100.8	158	-144.5	37.3	-37.6	0	0	0	117
31	Q	33.8	Very low	36.4	Very low	155 Å²	155	133.4 Å²	133.4	72%	0.724	78%	0.784	S	S	*	*			trans	71	157.9	172.7	-55.5	-168.4	72	0	0	115.6
32	P	34.1	Very low	36.2	Very low	107 Å²	107	133 Å²	133	70%	0.695	78%	0.777	S	S	*	*				-123.9	147.2	98.1	36.5	-33.7	0	0	0	114.1	I34	P32-I34 HydrophobicContact CG-CG1 4.41Å
33	L	29.2	Very low	36.7	Very low	152 Å²	152	131.1 Å²	131.1	80%	0.796	77%	0.772	S	S	*	*			trans	-73.9	119.5	156.3	-68.8	168.3	0	0	0	107.4	S35	L33-S35 PolarHBondContact O-N 3Å
34	I	39.8	Very low	36.7	Very low	140 Å²	140	133.6 Å²	133.6	72%	0.718	78%	0.775	S	S	*	*			trans	-92.2	98.4	175.4	-54	176.7	0	0	0	107.9	P32 V36	P32-I34 HydrophobicContact CG-CG1 4.41Å; I34-V36 HydrophobicContact CG2-CG1 4.19Å; I34-V36 HydrophobicContact CG2-CG2 4.21Å
35	S	31.7	Very low	36.5	Very low	106 Å²	106	133.6 Å²	133.6	74%	0.741	78%	0.777	S	S	*	*			trans	-92.6	117.9	163.2	-161.4	0	0	0	0	108.2	L33	L33-S35 PolarHBondContact O-N 3Å
36	V	49.2	Very low	36.6	Very low	120 Å²	120	132 Å²	132	73%	0.727	78%	0.778	S	S	*	*			trans	-137.9	115.1	168.8	-74.6	0	0	0	0	108.2	I34 G38	I34-V36 HydrophobicContact CG2-CG1 4.19Å; I34-V36 HydrophobicContact CG2-CG2 4.21Å; V36-G38 PolarHBondContact O-N 2.68Å
37	D	37.7	Very low	37.1	Very low	167 Å²	167	135.1 Å²	135.1	89%	0.893	78%	0.78	S	S	*	*			trans	-70.2	120.5	179.4	-66.8	-84.2	0	0	0	110.6
38	G	47.6	Very low	37.4	Very low	62 Å²	62	131.4 Å²	131.4	64%	0.639	78%	0.784	S	S	*	*			trans	-154.1	137	177.9	0	0	0	0	0	110	V36	V36-G38 PolarHBondContact O-N 2.68Å
39	P	40.4	Very low	37.6	Very low	131 Å²	131	128.1 Å²	128.1	85%	0.851	78%	0.781	S	S	*	*			trans	-69.2	154.2	-170.6	27.3	-34.7	0	0	0	113.2	V41	P39-V41 PolarHBondContact O-N 3.33Å
40	M	28	Very low	38.2	Very low	172 Å²	172	129.6 Å²	129.6	85%	0.847	78%	0.779	S	S	*	*			trans	-58.7	131.9	-171.4	-61	169.1	74.4	0	0	113.4	T42	M40-T42 HydrophobicContact CE-CG2 3.99Å
41	V	42	Very low	39.3	Very low	132 Å²	132	127.3 Å²	127.3	80%	0.8	77%	0.77	S	S	*	*			trans	-118.5	103.7	153.6	-179.3	0	0	0	0	107.7	P39 I43	P39-V41 PolarHBondContact O-N 3.33Å; V41-I43 HydrophobicContact CG1-CG1 4.49Å
42	T	31	Very low	40.6	Very low	115 Å²	115	124.4 Å²	124.4	71%	0.706	77%	0.765	S	S	*	*			trans	-78.3	123.3	178.2	45.5	0	0	0	0	111.1	M40	M40-T42 HydrophobicContact CE-CG2 3.99Å
43	I	45.9	Very low	42.2	Very low	157 Å²	157	125.8 Å²	125.8	81%	0.805	76%	0.756	S	S	*	*			trans	-127.8	121.4	165.3	-57.7	-179.4	0	0	0	107.4	V41	V41-I43 HydrophobicContact CG1-CG1 4.49Å
44	E	35.9	Very low	44.5	Very low	180 Å²	180	128.2 Å²	128.2	84%	0.841	75%	0.754	S	S	*	*			trans	-77.3	154.8	-176.1	-73.1	-160.3	133.7	0	0	113.2
45	P	37.5	Very low	46.5	Very low	121 Å²	121	124.6 Å²	124.6	79%	0.786	73%	0.734	S	S	*	*			trans	-80.5	159.9	-167.6	32.8	-37.4	0	0	0	113.8
46	S	40.4	Very low	49	Very low	116 Å²	116	127.3 Å²	127.3	81%	0.811	73%	0.732	S	S	*	*			trans	-150	144.1	171.4	-85.9	0	0	0	0	113.8
47	V	43.3	Very low	50.8	Low	145 Å²	145	122 Å²	122	88%	0.879	70%	0.7	S	S	*	*			trans	61.9	93	174.7	-165	0	0	0	0	116.3
48	A	40.1	Very low	52.8	Low	106 Å²	106	120.3 Å²	120.3	88%	0.876	70%	0.696	S	S	*	*			trans	-77.2	143.4	163.1	0	0	0	0	0	111.8
49	G	39.7	Very low	54.3	Low	81 Å²	81	122.4 Å²	122.4	84%	0.835	69%	0.689	S	S	*	*			trans	155.8	-33.5	160.1	0	0	0	0	0	118.7	A51	G49-A51 PolarHBondContact O-N 2.97Å
50	E	43.6	Very low	56.4	Low	146 Å²	146	117.8 Å²	117.8	68%	0.682	66%	0.66	S	S	*	*			trans	-88	113.4	-176.2	-78.8	-143.9	99.9	0	0	113.2	R53	E50-R53 IonicContact OE1-CZ 3.81Å; E50-R53 VanDerWaalsContact OE1-CZ 3.25Å; E50-R53 IonicContact OE1-NE 3.17Å; E50-R53 PolarHBondContact OE1-NE 3.45Å; E50-R53 IonicContact OE1-NH2 2.61Å; E50-R53 PolarHBondContact OE1-NH2 3.24Å; E50-R53 IonicContact OE2-NE 2.8Å; E50-R53 IonicContact OE2-NH2 2.62Å
51	A	55.2	Low	58.8	Low	62 Å²	62	117.6 Å²	117.6	51%	0.512	66%	0.662	S	S	.	*			trans	-64.9	138.3	168.2	0	0	0	0	0	110.8	G49 R53	G49-A51 PolarHBondContact O-N 2.97Å; A51-R53 PolarHBondContact O-N 3.26Å
52	P	60.2	Low	60.7	Low	95 Å²	95	117.2 Å²	117.2	62%	0.617	65%	0.65	S	S	*	*			trans	-59.2	126.2	-167.1	20.3	-33	0	0	0	113.2	R54	P52-R54 VanDerWaalsContact C-N 3.3Å; P52-R54 PolarHBondContact O-N 2.76Å
53	R	67.7	Low	63.3	Low	135 Å²	135	113.4 Å²	113.4	51%	0.509	63%	0.63	S	S	.	*			trans	-79.4	73.6	178.9	-65.4	168.6	174.2	-113	6.3	110.4	E50 A51 F55 A63 F64	E50-R53 IonicContact OE1-CZ 3.81Å; E50-R53 VanDerWaalsContact OE1-CZ 3.25Å; E50-R53 IonicContact OE1-NE 3.17Å; E50-R53 PolarHBondContact OE1-NE 3.45Å; E50-R53 IonicContact OE1-NH2 2.61Å; E50-R53 PolarHBondContact OE1-NH2 3.24Å; E50-R53 IonicContact OE2-NE 2.8Å; E50-R53 IonicContact OE2-NH2 2.62Å; A51-R53 PolarHBondContact O-N 3.26Å; R53-F55 PolarHBondContact O-N 2.8Å; R53-A63 HydrophobicContact CB-CB 3.71Å; R53-A63 PolarHBondContact NH1-O 2.73Å; R53-F64 CarbonylContact C-O 3.54Å
54	R	77.1	Confident	65.2	Low	203 Å²	203	108 Å²	108	77%	0.766	60%	0.601	S	S	*	*			trans	-58.6	-15	-168.5	-63.6	-176.1	-175.8	-122.2	-0.4	116.2	P52	P52-R54 VanDerWaalsContact C-N 3.3Å; P52-R54 PolarHBondContact O-N 2.76Å
55	F	82.6	Confident	67.5	Low	65 Å²	65	105.7 Å²	105.7	29%	0.285	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.5	85.1	-172.8	-59	-77.3	0	0	0	111.4	R53 F64 F66 K67 L70	R53-F55 PolarHBondContact O-N 2.8Å; F55-F64 HydrophobicContact CB-CB 4.41Å; F55-F64 PolarHBondContact N-O 3.29Å; F55-F64 VanDerWaalsContact N-O 3.17Å; F55-F64 PolarHBondContact O-N 3.45Å; F55-F66 VanDerWaalsContact CD2-C 3.47Å; F55-K67 HydrophobicContact CD1-CB 4Å; F55-K67 HydrophobicContact CD1-CG 4.21Å; F55-K67 HydrophobicContact CE1-CB 3.7Å; F55-K67 HydrophobicContact CE1-CD 4.21Å; F55-K67 HydrophobicContact CE1-CG 3.94Å; F55-K67 HydrophobicContact CE2-CB 4.33Å; F55-K67 HydrophobicContact CG-CB 4.44Å; F55-K67 HydrophobicContact CZ-CB 3.88Å; F55-L70 HydrophobicContact CB-CB 4.07Å; F55-L70 HydrophobicContact CB-CD2 3.91Å
56	K	83.9	Confident	69.5	Low	162 Å²	162	104.6 Å²	104.6	70%	0.704	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.5	147.8	170.2	62.4	176	-179	173.3	0	111.6	L70	K56-L70 WeakPolarHBondContact O-CD2 3.34Å
57	C	86.4	Confident	71.6	Confident	9 Å²	9	104.8 Å²	104.8	6%	0.061	56%	0.557	C	S	.	*			trans	-80	155.1	165.9	-177.1	0	0	0	0	110.5	E59 C60 K62 L70 H77	C57-E59 PolarHBondContact SG-N 3.14Å; C57-E59 VanDerWaalsContact SG-N 3.4Å; C57-C60 VanDerWaalsContact CB-O 3.3Å; C57-C60 WeakPolarHBondContact CB-O 3.42Å; C57-K62 PolarHBondContact N-O 3.35Å; C57-L70 HydrophobicContact CB-CD1 3.68Å; C57-H77 PolarHBondContact SG-NE2 2.93Å
58	T	80.7	Confident	73.4	Confident	132 Å²	132	103.3 Å²	103.3	81%	0.81	54%	0.54	S	S	*	.	S	Bend	trans	-91.7	-19.5	177.5	40.9	0	0	0	0	112.9
59	E	78.8	Confident	75.5	Confident	106 Å²	106	102 Å²	102	50%	0.495	52%	0.516	S	S	.	.	S	Bend	trans	-106.9	-8.1	-174.7	-65.5	163.4	-92.6	0	0	112.7	C57 H77	C57-E59 PolarHBondContact SG-N 3.14Å; C57-E59 VanDerWaalsContact SG-N 3.4Å; E59-H77 IonicContact OE1-CD2 3.83Å; E59-H77 WeakPolarHBondContact OE2-CB 3.46Å; E59-H77 IonicContact OE2-CG 3.05Å
60	C	84.9	Confident	77.7	Confident	33 Å²	33	99.6 Å²	99.6	22%	0.223	48%	0.484	C	S	.	.	S	Bend	trans	-162.9	163.7	161.6	68.5	0	0	0	0	111	C57 K62 H73	C57-C60 VanDerWaalsContact CB-O 3.3Å; C57-C60 WeakPolarHBondContact CB-O 3.42Å; C60-K62 PolarHBondContact O-N 3.12Å; C60-H73 PolarHBondContact SG-NE2 3.24Å
61	D	78.2	Confident	79.6	Confident	168 Å²	168	99.6 Å²	99.6	90%	0.898	48%	0.481	S	S	*	.	S	Bend	trans	-72.5	20.3	-170.6	-48.7	-76.2	0	0	0	115.9	A63	D61-A63 PolarHBondContact O-N 3.38Å
62	K	82.7	Confident	80.8	Confident	124 Å²	124	98.7 Å²	98.7	54%	0.539	47%	0.467	S	S	.	.			trans	-80.1	117.4	-177.5	-68.1	176.4	-173	165.2	0	110.7	C57 C60 F64	C57-K62 PolarHBondContact N-O 3.35Å; C60-K62 PolarHBondContact O-N 3.12Å; K62-F64 HydrophobicContact CB-CE2 3.57Å; K62-F64 HydrophobicContact CB-CZ 3.83Å; K62-F64 WeakPolarHBondContact O-CD2 3.45Å; K62-F64 VanDerWaalsContact O-CE2 3.23Å; K62-F64 WeakPolarHBondContact O-CE2 2.95Å
63	A	83.9	Confident	82	Confident	35 Å²	35	94.6 Å²	94.6	29%	0.289	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.7	179.5	0	0	0	0	0	112.9	R53 D61	R53-A63 HydrophobicContact CB-CB 3.71Å; R53-A63 PolarHBondContact NH1-O 2.73Å; D61-A63 PolarHBondContact O-N 3.38Å
64	F	86.5	Confident	82.6	Confident	45 Å²	45	90.2 Å²	90.2	20%	0.197	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151	-173.5	-61.4	-90.9	0	0	0	112.5	R53 F55 K62 H69 L70 H73	R53-F64 CarbonylContact C-O 3.54Å; F55-F64 HydrophobicContact CB-CB 4.41Å; F55-F64 PolarHBondContact N-O 3.29Å; F55-F64 VanDerWaalsContact N-O 3.17Å; F55-F64 PolarHBondContact O-N 3.45Å; K62-F64 HydrophobicContact CB-CE2 3.57Å; K62-F64 HydrophobicContact CB-CZ 3.83Å; K62-F64 WeakPolarHBondContact O-CD2 3.45Å; K62-F64 VanDerWaalsContact O-CE2 3.23Å; K62-F64 WeakPolarHBondContact O-CE2 2.95Å; F64-H69 HydrophobicContact CB-CB 4.1Å; F64-H69 HydrophobicContact CD1-CB 3.77Å; F64-H69 HydrophobicContact CG-CB 4.2Å; F64-L70 HydrophobicContact CB-CB 4.47Å; F64-L70 HydrophobicContact CD2-CB 4.32Å; F64-L70 HydrophobicContact CD2-CD1 4.19Å; F64-L70 HydrophobicContact CE2-CD1 4.5Å; F64-H73 HydrophobicContact CE1-CB 4.02Å; F64-H73 HydrophobicContact CE2-CB 3.89Å; F64-H73 AromaticContact CE2-CD2 3.15Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.49Å; F64-H73 AromaticContact CE2-CG 3.6Å; F64-H73 AromaticContact CE2-NE2 3.97Å; F64-H73 HydrophobicContact CZ-CB 3.49Å; F64-H73 VanDerWaalsContact CZ-CB 3.49Å; F64-H73 AromaticContact CZ-CD2 3.39Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.27Å; F64-H73 AromaticContact CZ-CG 3.33Å
65	K	83.3	Confident	82.9	Confident	131 Å²	131	83.1 Å²	83.1	57%	0.57	40%	0.401	S	S	*	.	S	Bend	trans	-75.4	-22.3	178.2	-169.4	167.3	-177	169.3	0	113.8
66	F	81.4	Confident	82.7	Confident	98 Å²	98	85 Å²	85	43%	0.43	41%	0.413	S	S	.	.	S	Bend	trans	-139.8	142.1	-174.8	-56	-62.3	0	0	0	112.7	F55 H68 H69 L70	F55-F66 VanDerWaalsContact CD2-C 3.47Å; F66-H68 AromaticContact CD2-CE1 3.88Å; F66-H68 AromaticContact CG-CE1 3.79Å; F66-H68 PolarHBondContact O-N 3.46Å; F66-H68 VanDerWaalsContact O-N 3.14Å; F66-H69 AromaticContact CD2-CE1 3.92Å; F66-H69 AromaticContact CD2-ND1 3.92Å; F66-H69 PolarHBondContact O-N 2.93Å; F66-L70 PolarHBondContact O-N 2.62Å
67	K	84.3	Confident	82.6	Confident	119 Å²	119	80.7 Å²	80.7	52%	0.517	40%	0.395	S	S	.	.	H	α-helix	trans	-52.4	-33.8	177.6	-161.9	172.5	-177.7	177.2	0	113	F55 K71	F55-K67 HydrophobicContact CD1-CB 4Å; F55-K67 HydrophobicContact CD1-CG 4.21Å; F55-K67 HydrophobicContact CE1-CB 3.7Å; F55-K67 HydrophobicContact CE1-CD 4.21Å; F55-K67 HydrophobicContact CE1-CG 3.94Å; F55-K67 HydrophobicContact CE2-CB 4.33Å; F55-K67 HydrophobicContact CG-CB 4.44Å; F55-K67 HydrophobicContact CZ-CB 3.88Å; K67-K71 PolarHBondContact O-N 2.73Å
68	H	81.4	Confident	82.1	Confident	115 Å²	115	83.3 Å²	83.3	53%	0.532	41%	0.413	S	S	.	.	H	α-helix	trans	-75.7	-33.5	178.6	67.1	-100.8	0	0	0	113.7	F66 L70 K71 E72	F66-H68 AromaticContact CD2-CE1 3.88Å; F66-H68 AromaticContact CG-CE1 3.79Å; F66-H68 PolarHBondContact O-N 3.46Å; F66-H68 VanDerWaalsContact O-N 3.14Å; H68-L70 VanDerWaalsContact C-N 3.34Å; H68-K71 PolarHBondContact O-N 3.34Å; H68-E72 WeakPolarHBondContact O-CB 3.4Å; H68-E72 PolarHBondContact O-N 2.9Å
69	H	83.5	Confident	81.9	Confident	79 Å²	79	79 Å²	79	37%	0.366	40%	0.396	S	S	.	.	H	α-helix	trans	-66.8	-37.9	171.4	-71.6	171.3	0	0	0	111	F64 F66 E72 H73	F64-H69 HydrophobicContact CB-CB 4.1Å; F64-H69 HydrophobicContact CD1-CB 3.77Å; F64-H69 HydrophobicContact CG-CB 4.2Å; F66-H69 AromaticContact CD2-CE1 3.92Å; F66-H69 AromaticContact CD2-ND1 3.92Å; F66-H69 PolarHBondContact O-N 2.93Å; H69-E72 PolarHBondContact O-N 3.2Å; H69-H73 WeakPolarHBondContact O-CB 3.26Å; H69-H73 PolarHBondContact O-N 3.38Å
70	L	85.3	Confident	81.9	Confident	30 Å²	30	79.1 Å²	79.1	16%	0.157	40%	0.396	C	S	.	.	H	α-helix	trans	-62.1	-49.1	171.9	174.2	60.3	0	0	0	111.2	F55 K56 C57 F64 F66 H68 E72 H73 V74	F55-L70 HydrophobicContact CB-CB 4.07Å; F55-L70 HydrophobicContact CB-CD2 3.91Å; K56-L70 WeakPolarHBondContact O-CD2 3.34Å; C57-L70 HydrophobicContact CB-CD1 3.68Å; F64-L70 HydrophobicContact CB-CB 4.47Å; F64-L70 HydrophobicContact CD2-CB 4.32Å; F64-L70 HydrophobicContact CD2-CD1 4.19Å; F64-L70 HydrophobicContact CE2-CD1 4.5Å; F66-L70 PolarHBondContact O-N 2.62Å; H68-L70 VanDerWaalsContact C-N 3.34Å; L70-E72 VanDerWaalsContact C-N 3.28Å; L70-E72 PolarHBondContact O-N 2.9Å; L70-H73 PolarHBondContact O-N 3.4Å; L70-H73 VanDerWaalsContact O-N 3.13Å; L70-V74 HydrophobicContact CD1-CG2 3.93Å; L70-V74 HydrophobicContact CG-CG2 4.43Å; L70-V74 WeakPolarHBondContact O-CG2 3.5Å; L70-V74 PolarHBondContact O-N 2.86Å
71	K	83	Confident	81.7	Confident	145 Å²	145	82.5 Å²	82.5	63%	0.63	41%	0.407	S	S	*	.	H	α-helix	trans	-57.7	-37.8	175.4	-77.6	-166.6	173.7	-165.5	0	113.1	K67 H68	K67-K71 PolarHBondContact O-N 2.73Å; H68-K71 PolarHBondContact O-N 3.34Å
72	E	81.7	Confident	81.9	Confident	44 Å²	44	77.4 Å²	77.4	21%	0.206	38%	0.383	C	S	.	.	H	α-helix	trans	-72.4	-35.6	176.8	-168.4	171.5	-115	0	0	112.1	H68 H69 L70 R75 H94 S95	H68-E72 WeakPolarHBondContact O-CB 3.4Å; H68-E72 PolarHBondContact O-N 2.9Å; H69-E72 PolarHBondContact O-N 3.2Å; L70-E72 VanDerWaalsContact C-N 3.28Å; L70-E72 PolarHBondContact O-N 2.9Å; E72-R75 WeakPolarHBondContact O-CB 3.2Å; E72-H94 VanDerWaalsContact CD-CG 3.47Å; E72-H94 HydrophobicContact CG-CB 4.37Å; E72-H94 WeakPolarHBondContact CG-ND1 3.17Å; E72-H94 VanDerWaalsContact OE1-CA 3.27Å; E72-H94 WeakPolarHBondContact OE1-CA 3.35Å; E72-H94 WeakPolarHBondContact OE1-CB 3.45Å; E72-H94 IonicContact OE1-CG 2.62Å; E72-H94 IonicContact OE1-ND1 2.94Å; E72-H94 IonicContact OE2-CE1 3.25Å; E72-H94 IonicContact OE2-CG 3.97Å; E72-H94 IonicContact OE2-ND1 2.7Å; E72-H94 PolarHBondContact OE2-ND1 3.5Å; E72-S95 PolarHBondContact OE1-N 3.32Å
73	H	84.2	Confident	81.8	Confident	9 Å²	9	74.4 Å²	74.4	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-68.5	-40.4	174.8	166.4	45.3	0	0	0	113.5	C60 F64 H69 L70 R75 I76 H77	C60-H73 PolarHBondContact SG-NE2 3.24Å; F64-H73 HydrophobicContact CE1-CB 4.02Å; F64-H73 HydrophobicContact CE2-CB 3.89Å; F64-H73 AromaticContact CE2-CD2 3.15Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.49Å; F64-H73 AromaticContact CE2-CG 3.6Å; F64-H73 AromaticContact CE2-NE2 3.97Å; F64-H73 HydrophobicContact CZ-CB 3.49Å; F64-H73 VanDerWaalsContact CZ-CB 3.49Å; F64-H73 AromaticContact CZ-CD2 3.39Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.27Å; F64-H73 AromaticContact CZ-CG 3.33Å; H69-H73 WeakPolarHBondContact O-CB 3.26Å; H69-H73 PolarHBondContact O-N 3.38Å; L70-H73 PolarHBondContact O-N 3.4Å; L70-H73 VanDerWaalsContact O-N 3.13Å; H73-R75 PolarHBondContact O-N 3.41Å; H73-I76 WeakPolarHBondContact O-CB 3.47Å; H73-I76 VanDerWaalsContact O-CG1 3.31Å; H73-I76 WeakPolarHBondContact O-CG1 3.25Å; H73-I76 PolarHBondContact O-N 2.91Å; H73-H77 AromaticContact CE1-NE2 3.35Å; H73-H77 PolarHBondContact CE1-NE2 2.71Å; H73-H77 VanDerWaalsContact CE1-NE2 3.35Å; H73-H77 AromaticContact NE2-NE2 3.41Å; H73-H77 PolarHBondContact NE2-NE2 2.9Å
74	V	82	Confident	81.6	Confident	43 Å²	43	78.1 Å²	78.1	26%	0.261	38%	0.38	S	S	.	.	H	α-helix	trans	-59.8	-28.7	180	168.9	0	0	0	0	111.9	L70 I76 H77 S78	L70-V74 HydrophobicContact CD1-CG2 3.93Å; L70-V74 HydrophobicContact CG-CG2 4.43Å; L70-V74 WeakPolarHBondContact O-CG2 3.5Å; L70-V74 PolarHBondContact O-N 2.86Å; V74-I76 PolarHBondContact O-N 3.21Å; V74-I76 VanDerWaalsContact O-N 3.1Å; V74-H77 PolarHBondContact O-N 3.24Å; V74-S78 PolarHBondContact O-N 3.33Å
75	R	83.1	Confident	81.3	Confident	54 Å²	54	76 Å²	76	20%	0.204	37%	0.37	C	S	.	.	H	α-helix	trans	-61.8	-15.1	171.2	-60.1	-178.6	-172.1	134.5	7.9	114.9	E72 H73 G79 E80 S93	E72-R75 WeakPolarHBondContact O-CB 3.2Å; H73-R75 PolarHBondContact O-N 3.41Å; R75-G79 CarbonylContact O-C 3.54Å; R75-G79 WeakPolarHBondContact O-CA 3.17Å; R75-G79 PolarHBondContact O-N 2.83Å; R75-E80 HydrophobicContact CB-CB 4.09Å; R75-E80 HydrophobicContact CG-CB 3.94Å; R75-E80 PolarHBondContact O-N 3.19Å; R75-S93 WeakPolarHBondContact CD-O 3.36Å; R75-S93 PolarHBondContact NH1-O 3.43Å
76	I	77	Confident	80.9	Confident	105 Å²	105	73.4 Å²	73.4	54%	0.538	37%	0.367	S	S	.	.	H	α-helix	trans	-72.5	-34.9	172.7	-58.2	178.9	0	0	0	109.8	H73 V74	H73-I76 WeakPolarHBondContact O-CB 3.47Å; H73-I76 VanDerWaalsContact O-CG1 3.31Å; H73-I76 WeakPolarHBondContact O-CG1 3.25Å; H73-I76 PolarHBondContact O-N 2.91Å; V74-I76 PolarHBondContact O-N 3.21Å; V74-I76 VanDerWaalsContact O-N 3.1Å
77	H	81.5	Confident	80.5	Confident	71 Å²	71	71.9 Å²	71.9	33%	0.329	36%	0.361	S	S	.	.	H	α-helix	trans	-83.7	-50.1	176.9	-51.1	-68.4	0	0	0	111.5	C57 E59 H73 V74 G79	C57-H77 PolarHBondContact SG-NE2 2.93Å; E59-H77 IonicContact OE1-CD2 3.83Å; E59-H77 WeakPolarHBondContact OE2-CB 3.46Å; E59-H77 IonicContact OE2-CG 3.05Å; H73-H77 AromaticContact CE1-NE2 3.35Å; H73-H77 PolarHBondContact CE1-NE2 2.71Å; H73-H77 VanDerWaalsContact CE1-NE2 3.35Å; H73-H77 AromaticContact NE2-NE2 3.41Å; H73-H77 PolarHBondContact NE2-NE2 2.9Å; V74-H77 PolarHBondContact O-N 3.24Å; H77-G79 PolarHBondContact O-N 3.38Å; H77-G79 VanDerWaalsContact O-N 3.08Å
78	S	77.4	Confident	80.2	Confident	63 Å²	63	68.2 Å²	68.2	44%	0.441	35%	0.35	S	S	.	.	S	Bend	trans	-70.2	-4.8	178.3	74.1	0	0	0	0	114.4	V74 E80	V74-S78 PolarHBondContact O-N 3.33Å; S78-E80 PolarHBondContact O-N 2.74Å; S78-E80 WeakPolarHBondContact OG-CG 3.41Å
79	G	75.3	Confident	79.8	Confident	43 Å²	43	67.9 Å²	67.9	44%	0.443	35%	0.348	S	S	.	.			trans	67.5	1.5	-178.9	0	0	0	0	0	115	R75 H77 K81	R75-G79 CarbonylContact O-C 3.54Å; R75-G79 WeakPolarHBondContact O-CA 3.17Å; R75-G79 PolarHBondContact O-N 2.83Å; H77-G79 PolarHBondContact O-N 3.38Å; H77-G79 VanDerWaalsContact O-N 3.08Å; G79-K81 PolarHBondContact O-N 3.14Å
80	E	79.2	Confident	79.6	Confident	107 Å²	107	70.4 Å²	70.4	50%	0.5	36%	0.358	S	S	.	.			trans	-57.8	127.2	-174.5	-89.3	-175.9	-150.2	0	0	113	R75 S78 S93	R75-E80 HydrophobicContact CB-CB 4.09Å; R75-E80 HydrophobicContact CG-CB 3.94Å; R75-E80 PolarHBondContact O-N 3.19Å; S78-E80 PolarHBondContact O-N 2.74Å; S78-E80 WeakPolarHBondContact OG-CG 3.41Å; E80-S93 WeakPolarHBondContact O-CB 3.36Å
81	K	81.1	Confident	79.3	Confident	104 Å²	104	76.2 Å²	76.2	45%	0.452	38%	0.378	S	S	.	.			trans	-125.7	82.1	174.3	-65.8	164.4	-169.8	169.2	0	109.3	G79 R91 F92	G79-K81 PolarHBondContact O-N 3.14Å; K81-R91 HydrophobicContact CB-CB 3.51Å; K81-R91 HydrophobicContact CD-CB 4.35Å; K81-R91 HydrophobicContact CG-CB 4.49Å; K81-R91 PolarHBondContact O-NE 3.17Å; K81-R91 PolarHBondContact O-NH2 3.31Å; K81-F92 CarbonylContact C-O 3.49Å; K81-F92 VanDerWaalsContact CA-O 3.31Å; K81-F92 WeakPolarHBondContact CA-O 3.49Å
82	P	81.8	Confident	79.2	Confident	62 Å²	62	71.4 Å²	71.4	40%	0.403	36%	0.357	S	S	.	.			trans	-68.1	-35.4	-175.6	-20.9	34.1	0	0	0	112.9	K84	P82-K84 PolarHBondContact O-N 2.87Å; P82-K84 VanDerWaalsContact O-N 3.17Å
83	F	81.2	Confident	79	Confident	60 Å²	60	70.7 Å²	70.7	26%	0.263	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	98.7	-173.2	-53.6	-74.8	0	0	0	110.6	R91 F92 F98	F83-R91 CarbonylContact O-C 3.54Å; F83-R91 WeakPolarHBondContact O-CA 3.34Å; F83-F92 HydrophobicContact CB-CB 4.29Å; F83-F92 WeakPolarHBondContact CD2-O 3.47Å; F83-F92 PolarHBondContact N-O 2.98Å; F83-F92 VanDerWaalsContact N-O 3.13Å; F83-F92 PolarHBondContact O-N 2.93Å; F83-F98 HydrophobicContact CB-CB 3.64Å; F83-F98 HydrophobicContact CB-CD1 4.45Å; F83-F98 HydrophobicContact CB-CD2 3.88Å; F83-F98 HydrophobicContact CB-CG 3.75Å; F83-F98 HydrophobicContact CG-CB 4.21Å; F83-F98 HydrophobicContact CG-CG 4.45Å
84	K	80.1	Confident	78.8	Confident	114 Å²	114	72.9 Å²	72.9	50%	0.496	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.7	178	-175.1	-177.9	178.6	-169.2	0	110.6	P82 R91	P82-K84 PolarHBondContact O-N 2.87Å; P82-K84 VanDerWaalsContact O-N 3.17Å; K84-R91 HydrophobicContact CB-CG 4.36Å; K84-R91 HydrophobicContact CG-CG 4.23Å
85	C	80.6	Confident	78.8	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.374	C	S	.	.			trans	-69.6	124.6	169.3	179.6	0	0	0	0	110.2	H87 C88 Q89 K90 F92 H101 M102	C85-H87 VanDerWaalsContact C-N 3.32Å; C85-H87 PolarHBondContact O-N 3.45Å; C85-H87 PolarHBondContact SG-N 3.14Å; C85-H87 VanDerWaalsContact SG-N 3.4Å; C85-C88 PolarHBondContact SG-N 3.29Å; C85-Q89 WeakPolarHBondContact O-CA 3.48Å; C85-Q89 PolarHBondContact O-N 3.25Å; C85-K90 WeakPolarHBondContact CB-O 3.44Å; C85-K90 PolarHBondContact N-O 3.07Å; C85-F92 HydrophobicContact CB-CE2 4.44Å; C85-H101 VanDerWaalsContact CB-NE2 3.33Å; C85-H101 WeakPolarHBondContact CB-NE2 3.35Å; C85-H101 PolarHBondContact SG-NE2 3.2Å; C85-M102 HydrophobicContact CB-SD 4.44Å; C85-M102 VanDerWaalsContact SG-SD 3.69Å
86	P	74.2	Confident	78.6	Confident	76 Å²	76	72.9 Å²	72.9	49%	0.494	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.4	175.6	26.1	-32.8	0	0	0	112.3	Q89 M102	P86-Q89 PolarHBondContact O-NE2 2.87Å; P86-M102 HydrophobicContact CG-CE 4.04Å
87	H	72.4	Confident	78.8	Confident	66 Å²	66	70.7 Å²	70.7	31%	0.306	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-22.6	-169.7	-47.9	-51.8	0	0	0	114.9	C85 A111	C85-H87 VanDerWaalsContact C-N 3.32Å; C85-H87 PolarHBondContact O-N 3.45Å; C85-H87 PolarHBondContact SG-N 3.14Å; C85-H87 VanDerWaalsContact SG-N 3.4Å; H87-A111 HydrophobicContact CB-CB 4.03Å; H87-A111 VanDerWaalsContact CG-CB 3.43Å; H87-A111 VanDerWaalsContact ND1-CB 3.26Å; H87-A111 WeakPolarHBondContact ND1-CB 3.49Å
88	C	77.9	Confident	78.8	Confident	42 Å²	42	69.6 Å²	69.6	28%	0.284	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	12.9	176.1	78.8	0	0	0	0	114.4	C85 K90 H101 C107	C85-C88 PolarHBondContact SG-N 3.29Å; C88-K90 PolarHBondContact O-N 3.42Å; C88-H101 PolarHBondContact SG-CE1 3.37Å; C88-H101 PolarHBondContact SG-NE2 3.24Å; C88-C107 VanDerWaalsContact SG-SG 3.61Å
89	Q	74.4	Confident	78.9	Confident	108 Å²	108	69.4 Å²	69.4	51%	0.505	37%	0.371	S	S	.	.			trans	61.2	-6.2	176.5	-51.3	-64.5	-53.8	0	0	116.4	C85 P86	C85-Q89 WeakPolarHBondContact O-CA 3.48Å; C85-Q89 PolarHBondContact O-N 3.25Å; P86-Q89 PolarHBondContact O-NE2 2.87Å
90	K	77.3	Confident	79.1	Confident	132 Å²	132	71 Å²	71	57%	0.574	38%	0.375	S	S	*	.			trans	-59	136	178.9	-68.9	179.5	-173.6	178.8	0	111.5	C85 C88 F92	C85-K90 WeakPolarHBondContact CB-O 3.44Å; C85-K90 PolarHBondContact N-O 3.07Å; C88-K90 PolarHBondContact O-N 3.42Å; K90-F92 HydrophobicContact CB-CE2 3.85Å; K90-F92 HydrophobicContact CB-CZ 3.91Å; K90-F92 WeakPolarHBondContact O-CE2 3.21Å
91	R	80.6	Confident	79.2	Confident	153 Å²	153	67 Å²	67	58%	0.577	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.6	-178	-54.5	-178.8	64.4	162.6	1.5	111	K81 F83 K84	K81-R91 HydrophobicContact CB-CB 3.51Å; K81-R91 HydrophobicContact CD-CB 4.35Å; K81-R91 HydrophobicContact CG-CB 4.49Å; K81-R91 PolarHBondContact O-NE 3.17Å; K81-R91 PolarHBondContact O-NH2 3.31Å; F83-R91 CarbonylContact O-C 3.54Å; F83-R91 WeakPolarHBondContact O-CA 3.34Å; K84-R91 HydrophobicContact CB-CG 4.36Å; K84-R91 HydrophobicContact CG-CG 4.23Å
92	F	79.8	Confident	78.8	Confident	43 Å²	43	64.2 Å²	64.2	19%	0.189	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.8	-178.4	-54	-93.8	0	0	0	110.8	K81 F83 C85 K90 F98 H101	K81-F92 CarbonylContact C-O 3.49Å; K81-F92 VanDerWaalsContact CA-O 3.31Å; K81-F92 WeakPolarHBondContact CA-O 3.49Å; F83-F92 HydrophobicContact CB-CB 4.29Å; F83-F92 WeakPolarHBondContact CD2-O 3.47Å; F83-F92 PolarHBondContact N-O 2.98Å; F83-F92 VanDerWaalsContact N-O 3.13Å; F83-F92 PolarHBondContact O-N 2.93Å; C85-F92 HydrophobicContact CB-CE2 4.44Å; K90-F92 HydrophobicContact CB-CE2 3.85Å; K90-F92 HydrophobicContact CB-CZ 3.91Å; K90-F92 WeakPolarHBondContact O-CE2 3.21Å; F92-F98 HydrophobicContact CB-CB 4.19Å; F92-F98 HydrophobicContact CD2-CB 4.13Å; F92-F98 HydrophobicContact CD2-CD2 4.22Å; F92-F98 HydrophobicContact CG-CB 4.26Å; F92-H101 HydrophobicContact CE1-CB 4.03Å; F92-H101 HydrophobicContact CE2-CB 4.13Å; F92-H101 AromaticContact CE2-CD2 3.19Å; F92-H101 WeakPolarHBondContact CE2-CD2 3.36Å; F92-H101 AromaticContact CE2-CG 3.7Å; F92-H101 AromaticContact CE2-NE2 3.68Å; F92-H101 HydrophobicContact CZ-CB 3.64Å; F92-H101 AromaticContact CZ-CD2 3.28Å; F92-H101 WeakPolarHBondContact CZ-CD2 3.17Å; F92-H101 AromaticContact CZ-CE1 3.97Å; F92-H101 AromaticContact CZ-CG 3.28Å; F92-H101 AromaticContact CZ-ND1 3.76Å; F92-H101 AromaticContact CZ-NE2 3.7Å
93	S	78.3	Confident	78.3	Confident	29 Å²	29	67.9 Å²	67.9	20%	0.203	36%	0.362	C	S	.	.	S	Bend	trans	-86	-29.2	177.1	40.4	0	0	0	0	113.1	R75 E80	R75-S93 WeakPolarHBondContact CD-O 3.36Å; R75-S93 PolarHBondContact NH1-O 3.43Å; E80-S93 WeakPolarHBondContact O-CB 3.36Å
94	H	79.9	Confident	77.6	Confident	56 Å²	56	74 Å²	74	26%	0.259	38%	0.383	S	S	.	.	S	Bend	trans	-108.4	141.5	178.7	-62.4	-118.4	0	0	0	111.5	E72 S97 F98	E72-H94 VanDerWaalsContact CD-CG 3.47Å; E72-H94 HydrophobicContact CG-CB 4.37Å; E72-H94 WeakPolarHBondContact CG-ND1 3.17Å; E72-H94 VanDerWaalsContact OE1-CA 3.27Å; E72-H94 WeakPolarHBondContact OE1-CA 3.35Å; E72-H94 WeakPolarHBondContact OE1-CB 3.45Å; E72-H94 IonicContact OE1-CG 2.62Å; E72-H94 IonicContact OE1-ND1 2.94Å; E72-H94 IonicContact OE2-CE1 3.25Å; E72-H94 IonicContact OE2-CG 3.97Å; E72-H94 IonicContact OE2-ND1 2.7Å; E72-H94 PolarHBondContact OE2-ND1 3.5Å; H94-S97 PolarHBondContact O-N 3.19Å; H94-F98 PolarHBondContact O-N 3.31Å
95	S	81.4	Confident	76.4	Confident	56 Å²	56	75.9 Å²	75.9	39%	0.392	39%	0.394	S	S	.	.	H	α-helix	trans	-68.7	-41.2	-178.6	60.2	0	0	0	0	112.5	E72 S97 F98 S99	E72-S95 PolarHBondContact OE1-N 3.32Å; S95-S97 PolarHBondContact O-N 3.15Å; S95-F98 WeakPolarHBondContact O-CB 3.44Å; S95-F98 PolarHBondContact O-N 3.48Å; S95-F98 VanDerWaalsContact O-N 3.08Å; S95-S99 PolarHBondContact O-N 2.88Å; S95-S99 PolarHBondContact O-OG 2.95Å
96	G	80.1	Confident	75.2	Confident	40 Å²	40	84.8 Å²	84.8	41%	0.412	43%	0.432	S	S	.	.	H	α-helix	trans	-60.7	-32	177.6	0	0	0	0	0	113.2	S100	G96-S100 VanDerWaalsContact O-CB 3.24Å; G96-S100 WeakPolarHBondContact O-CB 3.23Å; G96-S100 PolarHBondContact O-N 3.33Å; G96-S100 PolarHBondContact O-OG 2.93Å
97	S	80.9	Confident	74.3	Confident	59 Å²	59	81.8 Å²	81.8	41%	0.413	41%	0.413	S	S	.	.	H	α-helix	trans	-70.1	-39.8	174.4	-59.8	0	0	0	0	111.9	H94 S95 H101	H94-S97 PolarHBondContact O-N 3.19Å; S95-S97 PolarHBondContact O-N 3.15Å; S97-H101 VanDerWaalsContact O-CB 3.23Å; S97-H101 WeakPolarHBondContact O-CB 3.41Å; S97-H101 PolarHBondContact O-N 3.15Å
98	F	80.9	Confident	73.6	Confident	49 Å²	49	82.4 Å²	82.4	22%	0.215	42%	0.422	C	S	.	.	H	α-helix	trans	-64.5	-48.1	172.7	166.7	-96.8	0	0	0	111.8	F83 F92 H94 S95 S100 H101 M102	F83-F98 HydrophobicContact CB-CB 3.64Å; F83-F98 HydrophobicContact CB-CD1 4.45Å; F83-F98 HydrophobicContact CB-CD2 3.88Å; F83-F98 HydrophobicContact CB-CG 3.75Å; F83-F98 HydrophobicContact CG-CB 4.21Å; F83-F98 HydrophobicContact CG-CG 4.45Å; F92-F98 HydrophobicContact CB-CB 4.19Å; F92-F98 HydrophobicContact CD2-CB 4.13Å; F92-F98 HydrophobicContact CD2-CD2 4.22Å; F92-F98 HydrophobicContact CG-CB 4.26Å; H94-F98 PolarHBondContact O-N 3.31Å; S95-F98 WeakPolarHBondContact O-CB 3.44Å; S95-F98 PolarHBondContact O-N 3.48Å; S95-F98 VanDerWaalsContact O-N 3.08Å; F98-S100 PolarHBondContact O-N 3.25Å; F98-H101 WeakPolarHBondContact O-CA 3.46Å; F98-H101 WeakPolarHBondContact O-CB 3.48Å; F98-H101 PolarHBondContact O-N 3.43Å; F98-H101 VanDerWaalsContact O-N 3.07Å; F98-M102 HydrophobicContact CD1-CG 4.46Å; F98-M102 HydrophobicContact CD2-CG 4.27Å; F98-M102 HydrophobicContact CE1-CG 4.13Å; F98-M102 HydrophobicContact CE2-CG 3.92Å; F98-M102 HydrophobicContact CE2-SD 4.03Å; F98-M102 HydrophobicContact CZ-CE 4.24Å; F98-M102 HydrophobicContact CZ-CG 3.85Å; F98-M102 HydrophobicContact CZ-SD 4.21Å; F98-M102 WeakPolarHBondContact O-CG 3.45Å; F98-M102 PolarHBondContact O-N 3.2Å
99	S	79.6	Confident	72.4	Confident	58 Å²	58	85.7 Å²	85.7	41%	0.406	43%	0.434	S	S	.	.	H	α-helix	trans	-61.2	-42.6	175.4	-57.6	0	0	0	0	112.2	S95 H101 M102 N103	S95-S99 PolarHBondContact O-N 2.88Å; S95-S99 PolarHBondContact O-OG 2.95Å; S99-H101 PolarHBondContact O-N 3.08Å; S99-M102 PolarHBondContact O-N 3.39Å; S99-N103 VanDerWaalsContact O-CB 3.27Å; S99-N103 WeakPolarHBondContact O-CB 3.47Å; S99-N103 PolarHBondContact O-N 3.03Å; S99-N103 PolarHBondContact O-OD1 3.33Å
100	S	79.7	Confident	71	Confident	76 Å²	76	81.9 Å²	81.9	53%	0.531	42%	0.421	S	S	.	.	H	α-helix	trans	-65.5	-21.9	175.5	-58.9	0	0	0	0	113.4	G96 F98 R104	G96-S100 VanDerWaalsContact O-CB 3.24Å; G96-S100 WeakPolarHBondContact O-CB 3.23Å; G96-S100 PolarHBondContact O-N 3.33Å; G96-S100 PolarHBondContact O-OG 2.93Å; F98-S100 PolarHBondContact O-N 3.25Å; S100-R104 WeakPolarHBondContact O-CG 3.43Å
101	H	80.7	Confident	69.6	Low	25 Å²	25	76.3 Å²	76.3	12%	0.116	40%	0.4	C	S	.	.	H	α-helix	trans	-84.7	-44.2	175.7	166.8	65.7	0	0	0	112.3	C85 C88 F92 S97 F98 S99 N103 R104 C107	C85-H101 VanDerWaalsContact CB-NE2 3.33Å; C85-H101 WeakPolarHBondContact CB-NE2 3.35Å; C85-H101 PolarHBondContact SG-NE2 3.2Å; C88-H101 PolarHBondContact SG-CE1 3.37Å; C88-H101 PolarHBondContact SG-NE2 3.24Å; F92-H101 HydrophobicContact CE1-CB 4.03Å; F92-H101 HydrophobicContact CE2-CB 4.13Å; F92-H101 AromaticContact CE2-CD2 3.19Å; F92-H101 WeakPolarHBondContact CE2-CD2 3.36Å; F92-H101 AromaticContact CE2-CG 3.7Å; F92-H101 AromaticContact CE2-NE2 3.68Å; F92-H101 HydrophobicContact CZ-CB 3.64Å; F92-H101 AromaticContact CZ-CD2 3.28Å; F92-H101 WeakPolarHBondContact CZ-CD2 3.17Å; F92-H101 AromaticContact CZ-CE1 3.97Å; F92-H101 AromaticContact CZ-CG 3.28Å; F92-H101 AromaticContact CZ-ND1 3.76Å; F92-H101 AromaticContact CZ-NE2 3.7Å; S97-H101 VanDerWaalsContact O-CB 3.23Å; S97-H101 WeakPolarHBondContact O-CB 3.41Å; S97-H101 PolarHBondContact O-N 3.15Å; F98-H101 WeakPolarHBondContact O-CA 3.46Å; F98-H101 WeakPolarHBondContact O-CB 3.48Å; F98-H101 PolarHBondContact O-N 3.43Å; F98-H101 VanDerWaalsContact O-N 3.07Å; S99-H101 PolarHBondContact O-N 3.08Å; H101-N103 VanDerWaalsContact C-N 3.3Å; H101-N103 PolarHBondContact O-N 3.41Å; H101-R104 PolarHBondContact O-N 2.98Å; H101-C107 PolarHBondContact CE1-SG 3.19Å
102	M	73.4	Confident	68.1	Low	45 Å²	45	71.4 Å²	71.4	22%	0.222	39%	0.392	C	S	.	.	H	α-helix	trans	-62.4	-39.4	173.3	-62.8	-66.4	-86.9	0	0	110.9	C85 P86 F98 S99 R104	C85-M102 HydrophobicContact CB-SD 4.44Å; C85-M102 VanDerWaalsContact SG-SD 3.69Å; P86-M102 HydrophobicContact CG-CE 4.04Å; F98-M102 HydrophobicContact CD1-CG 4.46Å; F98-M102 HydrophobicContact CD2-CG 4.27Å; F98-M102 HydrophobicContact CE1-CG 4.13Å; F98-M102 HydrophobicContact CE2-CG 3.92Å; F98-M102 HydrophobicContact CE2-SD 4.03Å; F98-M102 HydrophobicContact CZ-CE 4.24Å; F98-M102 HydrophobicContact CZ-CG 3.85Å; F98-M102 HydrophobicContact CZ-SD 4.21Å; F98-M102 WeakPolarHBondContact O-CG 3.45Å; F98-M102 PolarHBondContact O-N 3.2Å; S99-M102 PolarHBondContact O-N 3.39Å; M102-R104 PolarHBondContact O-N 2.96Å
103	N	70.4	Confident	66.6	Low	138 Å²	138	72.6 Å²	72.6	74%	0.738	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	2.1	177	-65	-0.6	0	0	0	114.3	S99 H101	S99-N103 VanDerWaalsContact O-CB 3.27Å; S99-N103 WeakPolarHBondContact O-CB 3.47Å; S99-N103 PolarHBondContact O-N 3.03Å; S99-N103 PolarHBondContact O-OD1 3.33Å; H101-N103 VanDerWaalsContact C-N 3.3Å; H101-N103 PolarHBondContact O-N 3.41Å
104	R	66.6	Low	65.2	Low	189 Å²	189	78.7 Å²	78.7	71%	0.713	42%	0.422	S	S	*	.	S	Bend	trans	-93.1	114.1	168.9	-86.6	175.4	164.5	-177.4	-4	108.7	S100 H101 M102 K106 C107	S100-R104 WeakPolarHBondContact O-CG 3.43Å; H101-R104 PolarHBondContact O-N 2.98Å; M102-R104 PolarHBondContact O-N 2.96Å; R104-K106 PolarHBondContact O-N 2.69Å; R104-C107 PolarHBondContact O-N 3.37Å
105	E	54.6	Low	63.7	Low	154 Å²	154	79.5 Å²	79.5	72%	0.72	43%	0.434	S	S	*	.	H	α-helix	trans	-41.6	-31.6	-177.6	-61.9	164.3	164.8	0	0	114.8	C107 T108 M109	E105-C107 PolarHBondContact O-N 2.91Å; E105-C107 VanDerWaalsContact O-N 3.1Å; E105-T108 WeakPolarHBondContact CA-OG1 3.05Å; E105-T108 PolarHBondContact O-N 3.47Å; E105-T108 PolarHBondContact O-OG1 3.5Å; E105-T108 VanDerWaalsContact O-OG1 3.06Å; E105-M109 WeakPolarHBondContact O-CG 3.36Å; E105-M109 PolarHBondContact O-N 2.87Å
106	K	55.6	Low	62	Low	186 Å²	186	81 Å²	81	81%	0.809	44%	0.438	S	S	*	.	H	α-helix	trans	-59.2	-17.7	175.2	-61.5	-164.5	175.3	-164.4	0	115	R104	R104-K106 PolarHBondContact O-N 2.69Å
107	C	56.6	Low	60.2	Low	13 Å²	13	85.4 Å²	85.4	9%	0.088	45%	0.451	C	S	.	.	H	α-helix	trans	-101	-24.7	173.1	-84.7	0	0	0	0	114.7	C88 H101 R104 E105 A111	C88-C107 VanDerWaalsContact SG-SG 3.61Å; H101-C107 PolarHBondContact CE1-SG 3.19Å; R104-C107 PolarHBondContact O-N 3.37Å; E105-C107 PolarHBondContact O-N 2.91Å; E105-C107 VanDerWaalsContact O-N 3.1Å; C107-A111 PolarHBondContact O-N 2.88Å; C107-A111 VanDerWaalsContact O-N 3.14Å
108	T	56.2	Low	58.4	Low	80 Å²	80	88.6 Å²	88.6	49%	0.491	46%	0.463	S	S	.	.	H	α-helix	trans	-75.6	-38.3	172	53.1	0	0	0	0	111.3	E105 A110 A111 A112	E105-T108 WeakPolarHBondContact CA-OG1 3.05Å; E105-T108 PolarHBondContact O-N 3.47Å; E105-T108 PolarHBondContact O-OG1 3.5Å; E105-T108 VanDerWaalsContact O-OG1 3.06Å; T108-A110 PolarHBondContact O-N 3.37Å; T108-A111 VanDerWaalsContact O-CB 3.26Å; T108-A111 WeakPolarHBondContact O-CB 3.43Å; T108-A111 PolarHBondContact O-N 2.89Å; T108-A112 PolarHBondContact O-N 2.89Å
109	M	52.7	Low	56.6	Low	111 Å²	111	96.5 Å²	96.5	55%	0.547	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-40.5	172	-68	-172.9	76.4	0	0	112.4	E105 A111 A112 T113	E105-M109 WeakPolarHBondContact O-CG 3.36Å; E105-M109 PolarHBondContact O-N 2.87Å; M109-A111 VanDerWaalsContact C-N 3.26Å; M109-A111 PolarHBondContact O-N 3.35Å; M109-A112 PolarHBondContact O-N 2.93Å; M109-T113 PolarHBondContact O-N 3.32Å; M109-T113 PolarHBondContact O-OG1 3.07Å
110	A	46.8	Very low	54.3	Low	28 Å²	28	96.8 Å²	96.8	23%	0.231	50%	0.497	C	S	.	.	H	α-helix	trans	-65.9	-29.4	175.4	0	0	0	0	0	112.5	T108 T113 Y114	T108-A110 PolarHBondContact O-N 3.37Å; A110-T113 PolarHBondContact O-OG1 3.21Å; A110-Y114 WeakPolarHBondContact O-CB 3.36Å; A110-Y114 PolarHBondContact O-N 3.32Å
111	A	47	Very low	52.1	Low	15 Å²	15	99 Å²	99	12%	0.124	51%	0.51	C	S	.	.	H	α-helix	trans	-63.7	-46.5	175.9	0	0	0	0	0	111.8	H87 C107 T108 M109 S115	H87-A111 HydrophobicContact CB-CB 4.03Å; H87-A111 VanDerWaalsContact CG-CB 3.43Å; H87-A111 VanDerWaalsContact ND1-CB 3.26Å; H87-A111 WeakPolarHBondContact ND1-CB 3.49Å; C107-A111 PolarHBondContact O-N 2.88Å; C107-A111 VanDerWaalsContact O-N 3.14Å; T108-A111 VanDerWaalsContact O-CB 3.26Å; T108-A111 WeakPolarHBondContact O-CB 3.43Å; T108-A111 PolarHBondContact O-N 2.89Å; M109-A111 VanDerWaalsContact C-N 3.26Å; M109-A111 PolarHBondContact O-N 3.35Å; A111-S115 VanDerWaalsContact O-CB 3.25Å; A111-S115 WeakPolarHBondContact O-CB 3.31Å; A111-S115 PolarHBondContact O-N 3.17Å; A111-S115 VanDerWaalsContact O-N 3.08Å; A111-S115 PolarHBondContact O-OG 3.49Å
112	A	49.6	Very low	49.7	Very low	49 Å²	49	104.4 Å²	104.4	41%	0.405	54%	0.544	S	S	.	.	H	α-helix	trans	-62.4	-50.9	-179.1	0	0	0	0	0	111.6	T108 M109 S115 L116	T108-A112 PolarHBondContact O-N 2.89Å; M109-A112 PolarHBondContact O-N 2.93Å; A112-S115 PolarHBondContact O-N 3.11Å; A112-L116 WeakPolarHBondContact O-CD1 3.41Å; A112-L116 WeakPolarHBondContact O-CG 3.37Å; A112-L116 PolarHBondContact O-N 3.28Å
113	T	48.7	Very low	47.6	Very low	68 Å²	68	107.4 Å²	107.4	42%	0.417	57%	0.57	S	S	.	*	H	α-helix	trans	-65.1	-44.1	-177.7	55.4	0	0	0	0	112.7	M109 A110 S115 L116 L117	M109-T113 PolarHBondContact O-N 3.32Å; M109-T113 PolarHBondContact O-OG1 3.07Å; A110-T113 PolarHBondContact O-OG1 3.21Å; T113-S115 VanDerWaalsContact C-N 3.33Å; T113-S115 PolarHBondContact O-N 3.24Å; T113-L116 PolarHBondContact O-N 3.18Å; T113-L117 WeakPolarHBondContact O-CB 3.32Å; T113-L117 WeakPolarHBondContact O-CD1 3.28Å; T113-L117 VanDerWaalsContact O-CG 3.3Å; T113-L117 WeakPolarHBondContact O-CG 3.39Å; T113-L117 PolarHBondContact O-N 2.89Å; T113-L117 VanDerWaalsContact O-N 3.07Å
114	Y	47.7	Very low	45.6	Very low	157 Å²	157	109.4 Å²	109.4	62%	0.616	58%	0.58	S	S	*	*	H	α-helix	trans	-66.6	-31.7	177.6	-112.9	-90.6	0	0	0	113.2	A110 N118	A110-Y114 WeakPolarHBondContact O-CB 3.36Å; A110-Y114 PolarHBondContact O-N 3.32Å; Y114-N118 WeakPolarHBondContact CD1-ND2 3.3Å; Y114-N118 PolarHBondContact O-ND2 3.42Å
115	S	48.8	Very low	43.8	Very low	73 Å²	73	104.4 Å²	104.4	51%	0.51	58%	0.578	S	S	.	*	H	α-helix	trans	-79.3	-23.1	-177.5	-54	0	0	0	0	113.1	A111 A112 T113	A111-S115 VanDerWaalsContact O-CB 3.25Å; A111-S115 WeakPolarHBondContact O-CB 3.31Å; A111-S115 PolarHBondContact O-N 3.17Å; A111-S115 VanDerWaalsContact O-N 3.08Å; A111-S115 PolarHBondContact O-OG 3.49Å; A112-S115 PolarHBondContact O-N 3.11Å; T113-S115 VanDerWaalsContact C-N 3.33Å; T113-S115 PolarHBondContact O-N 3.24Å
116	L	45.1	Very low	42.6	Very low	89 Å²	89	103.2 Å²	103.2	47%	0.466	58%	0.582	S	S	.	*	H	α-helix	trans	-87.3	-44.9	176	-66.4	166	0	0	0	111.7	A112 T113 N118 R119 I158	A112-L116 WeakPolarHBondContact O-CD1 3.41Å; A112-L116 WeakPolarHBondContact O-CG 3.37Å; A112-L116 PolarHBondContact O-N 3.28Å; T113-L116 PolarHBondContact O-N 3.18Å; L116-N118 PolarHBondContact O-N 2.92Å; L116-R119 PolarHBondContact O-N 3.2Å; L116-I158 HydrophobicContact CD1-CD1 3.62Å; L116-I158 HydrophobicContact CD1-CG1 4.39Å
117	L	42.3	Very low	41.4	Very low	131 Å²	131	100.5 Å²	100.5	69%	0.686	59%	0.586	S	S	*	*	H	α-helix	trans	-59.3	-32	179.2	-75	167.6	0	0	0	113.4	T113 R119	T113-L117 WeakPolarHBondContact O-CB 3.32Å; T113-L117 WeakPolarHBondContact O-CD1 3.28Å; T113-L117 VanDerWaalsContact O-CG 3.3Å; T113-L117 WeakPolarHBondContact O-CG 3.39Å; T113-L117 PolarHBondContact O-N 2.89Å; T113-L117 VanDerWaalsContact O-N 3.07Å; L117-R119 VanDerWaalsContact C-N 3.34Å
118	N	44.2	Very low	40.1	Very low	126 Å²	126	103.3 Å²	103.3	67%	0.674	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	6.4	177.1	-67.6	-61.7	0	0	0	114.1	Y114 L116	Y114-N118 WeakPolarHBondContact CD1-ND2 3.3Å; Y114-N118 PolarHBondContact O-ND2 3.42Å; L116-N118 PolarHBondContact O-N 2.92Å
119	R	41.7	Very low	39.2	Very low	215 Å²	215	104.8 Å²	104.8	81%	0.811	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-8.3	-177.6	-152.3	174.8	-173.5	121.8	-1.7	113.6	L116 L117	L116-R119 PolarHBondContact O-N 3.2Å; L117-R119 VanDerWaalsContact C-N 3.34Å
120	A	31.6	Very low	38.1	Very low	64 Å²	64	109.8 Å²	109.8	53%	0.529	65%	0.648	S	S	.	*	S	Bend	trans	-77.6	134.5	170	0	0	0	0	0	110.8	V122	A120-V122 PolarHBondContact O-N 3.44Å; A120-V122 VanDerWaalsContact O-N 3.16Å
121	P	33.2	Very low	37.2	Very low	123 Å²	123	112 Å²	112	80%	0.799	67%	0.673	S	S	*	*			trans	-73.9	104.6	176.5	29.2	-33.1	0	0	0	110.9	S123	P121-S123 VanDerWaalsContact C-N 3.3Å; P121-S123 PolarHBondContact O-N 3.06Å
122	V	31.2	Very low	36.4	Very low	138 Å²	138	114.9 Å²	114.9	84%	0.836	71%	0.705	S	S	*	*			trans	-79	77.7	178.2	-172.7	0	0	0	0	110.4	A120	A120-V122 PolarHBondContact O-N 3.44Å; A120-V122 VanDerWaalsContact O-N 3.16Å
123	S	28.3	Very low	35.5	Very low	108 Å²	108	120.8 Å²	120.8	76%	0.755	72%	0.723	S	S	*	*			trans	-134.4	70.9	179.2	-70.7	0	0	0	0	112.4	P121	P121-S123 VanDerWaalsContact C-N 3.3Å; P121-S123 PolarHBondContact O-N 3.06Å
124	L	29.4	Very low	34.7	Very low	181 Å²	181	126 Å²	126	95%	0.948	75%	0.749	S	S	*	*			trans	-149.7	117.4	160.4	-114.7	141.6	0	0	0	109.4
125	A	28.8	Very low	33.8	Very low	83 Å²	83	123.8 Å²	123.8	69%	0.686	76%	0.756	S	S	*	*			trans	-106	136.9	-169	0	0	0	0	0	112.2
126	T	28.4	Very low	33.1	Very low	129 Å²	129	122.7 Å²	122.7	79%	0.791	75%	0.751	S	S	*	*			trans	51	125.3	145.2	54.8	0	0	0	0	121.3
127	S	30.6	Very low	32.5	Very low	129 Å²	129	121.5 Å²	121.5	90%	0.902	75%	0.75	S	S	*	*			trans	84.4	148	147.7	79.8	0	0	0	0	119.5
128	G	30.8	Very low	31.9	Very low	73 Å²	73	120.3 Å²	120.3	75%	0.753	75%	0.751	S	S	*	*			trans	113.1	101.8	173.4	0	0	0	0	0	115.5
129	P	37	Very low	31.3	Very low	111 Å²	111	120.8 Å²	120.8	72%	0.721	75%	0.747	S	S	*	*			trans	-99.3	158.8	168.2	37.5	-31.9	0	0	0	113
130	F	29.2	Very low	31.1	Very low	216 Å²	216	116.3 Å²	116.3	95%	0.947	74%	0.735	S	S	*	*			trans	68	149.9	178.2	-64.5	-87.8	0	0	0	117
131	G	28.6	Very low	31.6	Very low	74 Å²	74	118.7 Å²	118.7	76%	0.763	74%	0.738	S	S	*	*			trans	123.3	78.4	-178.4	0	0	0	0	0	112.4
132	G	28.7	Very low	32.1	Very low	76 Å²	76	116.5 Å²	116.5	78%	0.784	72%	0.723	S	S	*	*			trans	-85.3	120.5	-174.7	0	0	0	0	0	113.7
133	H	31.8	Very low	32.7	Very low	172 Å²	172	112.3 Å²	112.3	80%	0.796	70%	0.7	S	S	*	*			trans	-137.7	147.2	161.2	-75.5	-74.6	0	0	0	110.8	S135	H133-S135 PolarHBondContact O-N 2.9Å; H133-S135 PolarHBondContact O-OG 3.3Å
134	N	31	Very low	33.5	Very low	179 Å²	179	111.3 Å²	111.3	96%	0.957	69%	0.692	S	S	*	*			trans	-54.5	110.9	179.3	-62.8	-24.2	0	0	0	110
135	S	30	Very low	34.2	Very low	110 Å²	110	106.4 Å²	106.4	77%	0.769	68%	0.678	S	S	*	*			trans	-140.7	142.7	-176.9	40.2	0	0	0	0	109.2	H133	H133-S135 PolarHBondContact O-N 2.9Å; H133-S135 PolarHBondContact O-OG 3.3Å
136	A	32.4	Very low	35	Very low	49 Å²	49	103.8 Å²	103.8	41%	0.405	65%	0.652	S	S	.	*			trans	-63	149.9	-167.9	0	0	0	0	0	112.6	E140	A136-E140 HydrophobicContact CB-CB 4.04Å; A136-E140 HydrophobicContact CB-CG 4.5Å; A136-E140 VanDerWaalsContact CB-OE2 3.27Å; A136-E140 WeakPolarHBondContact CB-OE2 3.31Å
137	S	32.5	Very low	35.9	Very low	64 Å²	64	106 Å²	106	45%	0.448	66%	0.659	S	S	.	*			trans	-61.7	153.3	175.3	75.6	0	0	0	0	110.9	F139 E140	S137-F139 PolarHBondContact O-N 2.96Å; S137-F139 WeakPolarHBondContact OG-CB 3.35Å; S137-E140 PolarHBondContact O-N 3.06Å
138	P	30.5	Very low	37.1	Very low	106 Å²	106	102 Å²	102	69%	0.688	63%	0.632	S	S	*	*	H	α-helix	trans	-54.6	-19.7	176.1	-27.7	36	0	0	0	114.6	V142	P138-V142 WeakPolarHBondContact O-CG2 3.08Å; P138-V142 PolarHBondContact O-N 2.99Å
139	F	31.4	Very low	38.1	Very low	137 Å²	137	104.4 Å²	104.4	60%	0.601	63%	0.627	S	S	*	*	H	α-helix	trans	-63.4	-40.6	173.1	-111.2	-95.3	0	0	0	113.2	S137 S143	S137-F139 PolarHBondContact O-N 2.96Å; S137-F139 WeakPolarHBondContact OG-CB 3.35Å; F139-S143 WeakPolarHBondContact O-CB 3.37Å; F139-S143 PolarHBondContact O-N 2.94Å; F139-S143 VanDerWaalsContact O-N 3.13Å; F139-S143 PolarHBondContact O-OG 2.81Å
140	E	38.5	Very low	38.6	Very low	120 Å²	120	106 Å²	106	56%	0.561	63%	0.625	S	S	*	*	H	α-helix	trans	-76.2	-42.9	-177.6	-62.3	-162.2	145.1	0	0	111.3	A136 S137 V142 S143 S144	A136-E140 HydrophobicContact CB-CB 4.04Å; A136-E140 HydrophobicContact CB-CG 4.5Å; A136-E140 VanDerWaalsContact CB-OE2 3.27Å; A136-E140 WeakPolarHBondContact CB-OE2 3.31Å; S137-E140 PolarHBondContact O-N 3.06Å; E140-V142 VanDerWaalsContact C-N 3.27Å; E140-V142 PolarHBondContact O-N 3.21Å; E140-S143 CarbonylContact O-C 3.56Å; E140-S143 WeakPolarHBondContact O-CA 3.49Å; E140-S143 WeakPolarHBondContact O-CB 3.26Å; E140-S143 PolarHBondContact O-N 3.27Å; E140-S144 PolarHBondContact O-N 3.33Å; E140-S144 PolarHBondContact O-OG 3.33Å; E140-S144 VanDerWaalsContact O-OG 3.13Å
141	L	41.1	Very low	39.4	Very low	114 Å²	114	101 Å²	101	60%	0.597	61%	0.605	S	S	*	*	H	α-helix	trans	-59.5	-35.9	178.3	-72.7	168.8	0	0	0	112.9	S144 A145	L141-S144 WeakPolarHBondContact CA-OG 3.42Å; L141-S144 PolarHBondContact O-OG 3.37Å; L141-S144 VanDerWaalsContact O-OG 3.08Å; L141-A145 WeakPolarHBondContact O-CB 3.23Å; L141-A145 PolarHBondContact O-N 2.83Å
142	V	43.5	Very low	40.6	Very low	78 Å²	78	102.3 Å²	102.3	47%	0.473	59%	0.586	S	S	.	*	H	α-helix	trans	-72.6	-40.3	172.1	173.2	0	0	0	0	110.9	P138 E140 S144 A145 I146 L155	P138-V142 WeakPolarHBondContact O-CG2 3.08Å; P138-V142 PolarHBondContact O-N 2.99Å; E140-V142 VanDerWaalsContact C-N 3.27Å; E140-V142 PolarHBondContact O-N 3.21Å; V142-S144 VanDerWaalsContact C-N 3.3Å; V142-S144 PolarHBondContact O-N 2.87Å; V142-A145 PolarHBondContact O-N 3.28Å; V142-I146 HydrophobicContact CG1-CD1 4.34Å; V142-I146 WeakPolarHBondContact O-CD1 3.37Å; V142-I146 WeakPolarHBondContact O-CG1 3.32Å; V142-L155 HydrophobicContact CG1-CD2 4.08Å
143	S	45.1	Very low	41.8	Very low	50 Å²	50	102.3 Å²	102.3	35%	0.35	57%	0.572	S	S	.	*	H	α-helix	trans	-67.6	-27.9	179.7	-58.8	0	0	0	0	113.5	F139 E140 R152	F139-S143 WeakPolarHBondContact O-CB 3.37Å; F139-S143 PolarHBondContact O-N 2.94Å; F139-S143 VanDerWaalsContact O-N 3.13Å; F139-S143 PolarHBondContact O-OG 2.81Å; E140-S143 CarbonylContact O-C 3.56Å; E140-S143 WeakPolarHBondContact O-CA 3.49Å; E140-S143 WeakPolarHBondContact O-CB 3.26Å; E140-S143 PolarHBondContact O-N 3.27Å; S143-R152 PolarHBondContact O-NH2 3.38Å
144	S	44.3	Very low	42.6	Very low	86 Å²	86	97.3 Å²	97.3	60%	0.601	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-12.4	176.7	59.4	0	0	0	0	114.6	E140 L141 V142	E140-S144 PolarHBondContact O-N 3.33Å; E140-S144 PolarHBondContact O-OG 3.33Å; E140-S144 VanDerWaalsContact O-OG 3.13Å; L141-S144 WeakPolarHBondContact CA-OG 3.42Å; L141-S144 PolarHBondContact O-OG 3.37Å; L141-S144 VanDerWaalsContact O-OG 3.08Å; V142-S144 VanDerWaalsContact C-N 3.3Å; V142-S144 PolarHBondContact O-N 2.87Å
145	A	44.1	Very low	43.7	Very low	78 Å²	78	90.9 Å²	90.9	65%	0.645	52%	0.518	S	S	*	.	S	Bend	trans	-98	14	-176.4	0	0	0	0	0	113.6	L141 V142	L141-A145 WeakPolarHBondContact O-CB 3.23Å; L141-A145 PolarHBondContact O-N 2.83Å; V142-A145 PolarHBondContact O-N 3.28Å
146	I	45.6	Very low	44.8	Very low	28 Å²	28	90.2 Å²	90.2	14%	0.144	51%	0.506	C	S	.	.			trans	-122.1	99.1	-174.7	-62.3	170.7	0	0	0	108.7	V142 S148 E151 R152 L155	V142-I146 HydrophobicContact CG1-CD1 4.34Å; V142-I146 WeakPolarHBondContact O-CD1 3.37Å; V142-I146 WeakPolarHBondContact O-CG1 3.32Å; I146-S148 WeakPolarHBondContact CG2-O 3.46Å; I146-S148 PolarHBondContact O-N 3.27Å; I146-E151 HydrophobicContact CG2-CB 3.59Å; I146-R152 HydrophobicContact CG2-CB 4.28Å; I146-L155 HydrophobicContact CD1-CD2 3.8Å
147	D	48.2	Very low	45.6	Very low	175 Å²	175	94.3 Å²	94.3	94%	0.936	52%	0.517	S	S	*	.			trans	-78.6	-0.2	178.9	-72.7	-42.7	0	0	0	113.6
148	S	55.5	Low	46.6	Very low	47 Å²	47	93.7 Å²	93.7	33%	0.329	51%	0.508	S	S	.	.			trans	-119.5	120.9	-177.1	-164.6	0	0	0	0	113.1	I146 Q150 E151 R152	I146-S148 WeakPolarHBondContact CG2-O 3.46Å; I146-S148 PolarHBondContact O-N 3.27Å; S148-Q150 PolarHBondContact O-N 2.94Å; S148-Q150 WeakPolarHBondContact OG-CB 3.18Å; S148-Q150 PolarHBondContact OG-N 3.5Å; S148-E151 PolarHBondContact O-N 3.15Å; S148-R152 PolarHBondContact O-N 3.39Å
149	D	50.7	Low	47.7	Very low	122 Å²	122	90.7 Å²	90.7	65%	0.652	49%	0.486	S	S	*	.	H	α-helix	trans	-57.2	-28.8	169.9	-70.2	-39.2	0	0	0	112.3	E151 T153	D149-E151 VanDerWaalsContact C-N 3.29Å; D149-E151 PolarHBondContact O-N 2.77Å; D149-T153 WeakPolarHBondContact O-CB 3.4Å; D149-T153 WeakPolarHBondContact O-CG2 3.34Å; D149-T153 PolarHBondContact O-N 2.83Å; D149-T153 PolarHBondContact O-OG1 3.11Å
150	Q	47.4	Very low	49.1	Very low	145 Å²	145	90 Å²	90	68%	0.678	49%	0.488	S	S	*	.	H	α-helix	trans	-64.2	-33.3	175.4	-165.4	72.3	71.7	0	0	112.1	S148 T153 T154	S148-Q150 PolarHBondContact O-N 2.94Å; S148-Q150 WeakPolarHBondContact OG-CB 3.18Å; S148-Q150 PolarHBondContact OG-N 3.5Å; Q150-T153 PolarHBondContact O-OG1 3.27Å; Q150-T154 WeakPolarHBondContact O-CG2 3.42Å
151	E	46	Very low	49.5	Very low	112 Å²	112	87.9 Å²	87.9	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-86.8	-41.4	178.5	-68.7	-177.3	141.8	0	0	111.1	I146 S148 D149 T153 T154 L155	I146-E151 HydrophobicContact CG2-CB 3.59Å; S148-E151 PolarHBondContact O-N 3.15Å; D149-E151 VanDerWaalsContact C-N 3.29Å; D149-E151 PolarHBondContact O-N 2.77Å; E151-T153 VanDerWaalsContact C-N 3.33Å; E151-T153 PolarHBondContact O-N 3.1Å; E151-T154 PolarHBondContact O-N 2.91Å; E151-T154 VanDerWaalsContact O-N 3.11Å; E151-T154 PolarHBondContact O-OG1 3.28Å; E151-L155 PolarHBondContact O-N 3.42Å
152	R	53.5	Low	49.9	Very low	100 Å²	100	87 Å²	87	38%	0.377	48%	0.481	S	S	.	.	H	α-helix	trans	-58.6	-43	175.4	-173.8	175.8	-77.8	143.2	-3.9	111.6	S143 I146 S148 T154 L155 D156	S143-R152 PolarHBondContact O-NH2 3.38Å; I146-R152 HydrophobicContact CG2-CB 4.28Å; S148-R152 PolarHBondContact O-N 3.39Å; R152-T154 PolarHBondContact O-N 3.42Å; R152-L155 WeakPolarHBondContact O-CB 3.42Å; R152-L155 PolarHBondContact O-N 3.08Å; R152-L155 VanDerWaalsContact O-N 3.17Å; R152-D156 PolarHBondContact O-N 3.27Å
153	T	54.3	Low	50.2	Low	77 Å²	77	89.9 Å²	89.9	47%	0.472	49%	0.489	S	S	.	.	H	α-helix	trans	-62.1	-39.8	173.9	46.7	0	0	0	0	113.1	D149 Q150 E151 L155 D156 E157	D149-T153 WeakPolarHBondContact O-CB 3.4Å; D149-T153 WeakPolarHBondContact O-CG2 3.34Å; D149-T153 PolarHBondContact O-N 2.83Å; D149-T153 PolarHBondContact O-OG1 3.11Å; Q150-T153 PolarHBondContact O-OG1 3.27Å; E151-T153 VanDerWaalsContact C-N 3.33Å; E151-T153 PolarHBondContact O-N 3.1Å; T153-L155 VanDerWaalsContact C-N 3.34Å; T153-L155 PolarHBondContact O-N 3.49Å; T153-D156 PolarHBondContact O-N 3.39Å; T153-E157 PolarHBondContact O-N 2.91Å; T153-E157 VanDerWaalsContact O-N 3.1Å
154	T	48.5	Very low	50.4	Low	66 Å²	66	93.4 Å²	93.4	41%	0.405	50%	0.496	S	S	.	.	H	α-helix	trans	-67	-34.4	173.5	61.4	0	0	0	0	112.8	Q150 E151 R152 D156 E157 I158	Q150-T154 WeakPolarHBondContact O-CG2 3.42Å; E151-T154 PolarHBondContact O-N 2.91Å; E151-T154 VanDerWaalsContact O-N 3.11Å; E151-T154 PolarHBondContact O-OG1 3.28Å; R152-T154 PolarHBondContact O-N 3.42Å; T154-D156 VanDerWaalsContact C-N 3.35Å; T154-E157 PolarHBondContact O-N 3.42Å; T154-I158 WeakPolarHBondContact O-CB 3.38Å; T154-I158 VanDerWaalsContact O-CD1 3.28Å; T154-I158 WeakPolarHBondContact O-CD1 3.5Å; T154-I158 WeakPolarHBondContact O-CG1 3.47Å; T154-I158 PolarHBondContact O-N 2.97Å
155	L	54.3	Low	50.5	Low	44 Å²	44	90.4 Å²	90.4	23%	0.23	48%	0.479	C	S	.	.	H	α-helix	trans	-64.3	-40.6	176.2	-173.1	65.2	0	0	0	111.2	V142 I146 E151 R152 T153 I158 N159	V142-L155 HydrophobicContact CG1-CD2 4.08Å; I146-L155 HydrophobicContact CD1-CD2 3.8Å; E151-L155 PolarHBondContact O-N 3.42Å; R152-L155 WeakPolarHBondContact O-CB 3.42Å; R152-L155 PolarHBondContact O-N 3.08Å; R152-L155 VanDerWaalsContact O-N 3.17Å; T153-L155 VanDerWaalsContact C-N 3.34Å; T153-L155 PolarHBondContact O-N 3.49Å; L155-I158 PolarHBondContact O-N 2.9Å; L155-N159 WeakPolarHBondContact O-CB 3.22Å; L155-N159 VanDerWaalsContact O-CG 3.28Å; L155-N159 PolarHBondContact O-N 3.38Å; L155-N159 PolarHBondContact O-ND2 3.28Å
156	D	52.7	Low	50.8	Low	97 Å²	97	89.7 Å²	89.7	52%	0.519	47%	0.473	S	S	.	.	H	α-helix	trans	-66	-39.8	174.7	-73.5	-30.6	0	0	0	112.5	R152 T153 T154 I158 N159 L160	R152-D156 PolarHBondContact O-N 3.27Å; T153-D156 PolarHBondContact O-N 3.39Å; T154-D156 VanDerWaalsContact C-N 3.35Å; D156-I158 VanDerWaalsContact C-N 3.35Å; D156-I158 PolarHBondContact O-N 3.09Å; D156-N159 PolarHBondContact O-N 3.33Å; D156-L160 VanDerWaalsContact O-CB 3.27Å; D156-L160 WeakPolarHBondContact O-CB 3.4Å; D156-L160 PolarHBondContact O-N 3.25Å
157	E	50.7	Low	51.1	Low	135 Å²	135	93.7 Å²	93.7	63%	0.631	49%	0.489	S	S	*	.	H	α-helix	trans	-62.8	-39.6	172.3	-71.8	-166	150.8	0	0	112.4	T153 T154 C161	T153-E157 PolarHBondContact O-N 2.91Å; T153-E157 VanDerWaalsContact O-N 3.1Å; T154-E157 PolarHBondContact O-N 3.42Å; E157-C161 WeakPolarHBondContact O-CB 3.3Å; E157-C161 PolarHBondContact O-N 2.96Å; E157-C161 PolarHBondContact O-SG 2.89Å
158	I	51.9	Low	51.2	Low	51 Å²	51	89.1 Å²	89.1	26%	0.262	46%	0.463	S	S	.	.	H	α-helix	trans	-66.4	-45.9	176.2	-69.2	157.8	0	0	0	110.5	L116 T154 L155 D156 L160 C161 L162	L116-I158 HydrophobicContact CD1-CD1 3.62Å; L116-I158 HydrophobicContact CD1-CG1 4.39Å; T154-I158 WeakPolarHBondContact O-CB 3.38Å; T154-I158 VanDerWaalsContact O-CD1 3.28Å; T154-I158 WeakPolarHBondContact O-CD1 3.5Å; T154-I158 WeakPolarHBondContact O-CG1 3.47Å; T154-I158 PolarHBondContact O-N 2.97Å; L155-I158 PolarHBondContact O-N 2.9Å; D156-I158 VanDerWaalsContact C-N 3.35Å; D156-I158 PolarHBondContact O-N 3.09Å; I158-L160 PolarHBondContact O-N 3.34Å; I158-C161 WeakPolarHBondContact O-CB 3.4Å; I158-C161 PolarHBondContact O-N 3.43Å; I158-L162 HydrophobicContact CG2-CD1 4.07Å; I158-L162 WeakPolarHBondContact O-CG 3.41Å; I158-L162 PolarHBondContact O-N 3.44Å
159	N	53.9	Low	51.1	Low	43 Å²	43	92.3 Å²	92.3	23%	0.23	47%	0.473	C	S	.	.	H	α-helix	trans	-61.6	-42.7	176.6	-76.9	-28.9	0	0	0	111.4	L155 D156 C161 L162 H163	L155-N159 WeakPolarHBondContact O-CB 3.22Å; L155-N159 VanDerWaalsContact O-CG 3.28Å; L155-N159 PolarHBondContact O-N 3.38Å; L155-N159 PolarHBondContact O-ND2 3.28Å; D156-N159 PolarHBondContact O-N 3.33Å; N159-C161 VanDerWaalsContact C-N 3.34Å; N159-C161 PolarHBondContact O-N 3.42Å; N159-L162 PolarHBondContact O-N 3.12Å; N159-H163 WeakPolarHBondContact O-CB 3.5Å; N159-H163 PolarHBondContact O-CD2 3.01Å; N159-H163 PolarHBondContact O-N 2.91Å
160	L	60.4	Low	51.4	Low	121 Å²	121	93.7 Å²	93.7	63%	0.634	47%	0.473	S	S	*	.	H	α-helix	trans	-60.8	-42.6	173.8	-176.3	62.7	0	0	0	111.3	D156 I158 H163 Y164	D156-L160 VanDerWaalsContact O-CB 3.27Å; D156-L160 WeakPolarHBondContact O-CB 3.4Å; D156-L160 PolarHBondContact O-N 3.25Å; I158-L160 PolarHBondContact O-N 3.34Å; L160-H163 PolarHBondContact O-N 3.18Å; L160-Y164 WeakPolarHBondContact O-CB 3.45Å; L160-Y164 PolarHBondContact O-N 3.03Å
161	C	46.9	Very low	51.7	Low	77 Å²	77	88.3 Å²	88.3	52%	0.52	45%	0.449	S	S	.	.	H	α-helix	trans	-64.7	-39.3	175.6	-72.1	0	0	0	0	112.9	E157 I158 N159 Y164 G165	E157-C161 WeakPolarHBondContact O-CB 3.3Å; E157-C161 PolarHBondContact O-N 2.96Å; E157-C161 PolarHBondContact O-SG 2.89Å; I158-C161 WeakPolarHBondContact O-CB 3.4Å; I158-C161 PolarHBondContact O-N 3.43Å; N159-C161 VanDerWaalsContact C-N 3.34Å; N159-C161 PolarHBondContact O-N 3.42Å; C161-Y164 PolarHBondContact O-N 3.07Å; C161-G165 PolarHBondContact O-N 3.02Å
162	L	50.4	Low	52.2	Low	95 Å²	95	89 Å²	89	50%	0.497	45%	0.447	S	S	.	.	H	α-helix	trans	-68.3	-44.4	176.1	-71.7	171.5	0	0	0	111.6	I158 N159 Y164 G165 A166	I158-L162 HydrophobicContact CG2-CD1 4.07Å; I158-L162 WeakPolarHBondContact O-CG 3.41Å; I158-L162 PolarHBondContact O-N 3.44Å; N159-L162 PolarHBondContact O-N 3.12Å; L162-Y164 PolarHBondContact O-N 3.17Å; L162-G165 PolarHBondContact O-N 2.87Å; L162-A166 PolarHBondContact O-N 3.12Å
163	H	50.4	Low	52.6	Low	138 Å²	138	87.4 Å²	87.4	64%	0.639	46%	0.455	S	S	*	.	H	α-helix	trans	-60.1	-43.5	172.6	-92.7	-96.4	0	0	0	111.7	N159 L160 G165 A166 F167	N159-H163 WeakPolarHBondContact O-CB 3.5Å; N159-H163 PolarHBondContact O-CD2 3.01Å; N159-H163 PolarHBondContact O-N 2.91Å; L160-H163 PolarHBondContact O-N 3.18Å; H163-G165 VanDerWaalsContact C-N 3.33Å; H163-G165 PolarHBondContact O-N 3.32Å; H163-A166 PolarHBondContact O-N 3.5Å; H163-F167 WeakPolarHBondContact O-CB 3.15Å; H163-F167 PolarHBondContact O-N 2.97Å
164	Y	48.7	Very low	52.8	Low	124 Å²	124	89.4 Å²	89.4	49%	0.486	46%	0.459	S	S	.	.	H	α-helix	trans	-65.9	-36.5	176.4	-144.7	-96.5	0	0	0	111.9	L160 C161 L162 M168	L160-Y164 WeakPolarHBondContact O-CB 3.45Å; L160-Y164 PolarHBondContact O-N 3.03Å; C161-Y164 PolarHBondContact O-N 3.07Å; L162-Y164 PolarHBondContact O-N 3.17Å; Y164-M168 HydrophobicContact CD1-CG 3.97Å; Y164-M168 HydrophobicContact CE1-CG 4.1Å; Y164-M168 HydrophobicContact CE1-SD 4.43Å; Y164-M168 VanDerWaalsContact O-CB 3.27Å; Y164-M168 WeakPolarHBondContact O-CB 3.4Å; Y164-M168 WeakPolarHBondContact O-CG 3.25Å; Y164-M168 PolarHBondContact O-N 3.04Å
165	G	47.2	Very low	53.2	Low	24 Å²	24	92 Å²	92	25%	0.247	47%	0.466	C	S	.	.	H	α-helix	trans	-59.7	-55.8	172	0	0	0	0	0	112.2	C161 L162 H163 F167 M168 E169	C161-G165 PolarHBondContact O-N 3.02Å; L162-G165 PolarHBondContact O-N 2.87Å; H163-G165 VanDerWaalsContact C-N 3.33Å; H163-G165 PolarHBondContact O-N 3.32Å; G165-F167 VanDerWaalsContact C-N 3.34Å; G165-F167 PolarHBondContact O-N 3.18Å; G165-M168 PolarHBondContact O-N 2.87Å; G165-M168 VanDerWaalsContact O-N 3.16Å; G165-E169 VanDerWaalsContact O-CG 3.29Å; G165-E169 WeakPolarHBondContact O-CG 3.37Å; G165-E169 PolarHBondContact O-N 3.44Å
166	A	49.5	Very low	53.5	Low	62 Å²	62	92.9 Å²	92.9	51%	0.512	48%	0.48	S	S	.	.	H	α-helix	trans	-62.4	-38.1	178.5	0	0	0	0	0	112.7	L162 H163 E169 K170	L162-A166 PolarHBondContact O-N 3.12Å; H163-A166 PolarHBondContact O-N 3.5Å; A166-E169 WeakPolarHBondContact O-CB 3.25Å; A166-E169 PolarHBondContact O-N 2.83Å; A166-K170 WeakPolarHBondContact O-CB 3.41Å; A166-K170 PolarHBondContact O-N 3.44Å
167	F	52.4	Low	54	Low	112 Å²	112	89.9 Å²	89.9	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-63	-42.8	173	179.1	-112.2	0	0	0	111.8	H163 G165 K170 L171	H163-F167 WeakPolarHBondContact O-CB 3.15Å; H163-F167 PolarHBondContact O-N 2.97Å; G165-F167 VanDerWaalsContact C-N 3.34Å; G165-F167 PolarHBondContact O-N 3.18Å; F167-K170 PolarHBondContact O-N 2.91Å; F167-L171 HydrophobicContact CD1-CD1 3.85Å; F167-L171 HydrophobicContact CE1-CD1 3.45Å; F167-L171 VanDerWaalsContact CE1-CD1 3.45Å; F167-L171 HydrophobicContact CE1-CG 4.26Å; F167-L171 HydrophobicContact CE2-CD1 4.4Å; F167-L171 HydrophobicContact CE2-CG 4.38Å; F167-L171 HydrophobicContact CG-CD1 4.49Å; F167-L171 HydrophobicContact CZ-CD1 3.77Å; F167-L171 HydrophobicContact CZ-CD2 4.48Å; F167-L171 HydrophobicContact CZ-CG 4.19Å; F167-L171 WeakPolarHBondContact O-CB 3.24Å; F167-L171 WeakPolarHBondContact O-CG 3.44Å; F167-L171 PolarHBondContact O-N 3.13Å
168	M	50.2	Low	54.3	Low	79 Å²	79	89.7 Å²	89.7	39%	0.389	48%	0.475	S	S	.	.	H	α-helix	trans	-71.3	-25.8	176.7	-72.6	-71	-72.8	0	0	113.5	Y164 G165 L171 R172	Y164-M168 HydrophobicContact CD1-CG 3.97Å; Y164-M168 HydrophobicContact CE1-CG 4.1Å; Y164-M168 HydrophobicContact CE1-SD 4.43Å; Y164-M168 VanDerWaalsContact O-CB 3.27Å; Y164-M168 WeakPolarHBondContact O-CB 3.4Å; Y164-M168 WeakPolarHBondContact O-CG 3.25Å; Y164-M168 PolarHBondContact O-N 3.04Å; G165-M168 PolarHBondContact O-N 2.87Å; G165-M168 VanDerWaalsContact O-N 3.16Å; M168-L171 HydrophobicContact SD-CD1 4.09Å; M168-R172 WeakPolarHBondContact O-CB 3.33Å; M168-R172 WeakPolarHBondContact O-CG 3.24Å; M168-R172 PolarHBondContact O-N 2.89Å; M168-R172 PolarHBondContact O-NE 3.35Å; M168-R172 VanDerWaalsContact O-NE 3.13Å
169	E	52.7	Low	54.8	Low	115 Å²	115	92.6 Å²	92.6	54%	0.537	49%	0.49	S	S	.	.	H	α-helix	trans	-68.4	-49.9	166.7	-63.8	-91.2	110.1	0	0	110.5	G165 A166 L171 R172 A173	G165-E169 VanDerWaalsContact O-CG 3.29Å; G165-E169 WeakPolarHBondContact O-CG 3.37Å; G165-E169 PolarHBondContact O-N 3.44Å; A166-E169 WeakPolarHBondContact O-CB 3.25Å; A166-E169 PolarHBondContact O-N 2.83Å; E169-L171 VanDerWaalsContact C-N 3.33Å; E169-L171 PolarHBondContact O-N 2.8Å; E169-R172 WeakPolarHBondContact O-CA 3.34Å; E169-R172 WeakPolarHBondContact O-CB 3.03Å; E169-R172 PolarHBondContact O-N 3.33Å; E169-R172 IonicContact OE1-CZ 3.06Å; E169-R172 IonicContact OE1-NH1 3.74Å; E169-R172 PolarHBondContact OE1-NH1 3.38Å; E169-R172 IonicContact OE1-NH2 3.97Å; E169-R172 PolarHBondContact OE1-NH2 3.18Å; E169-A173 PolarHBondContact O-N 3.23Å
170	K	58.1	Low	55.3	Low	151 Å²	151	93.1 Å²	93.1	66%	0.657	50%	0.5	S	S	*	.	H	α-helix	trans	-62.7	-38	-179.8	-158.1	169.4	-172.8	175.4	0	111.9	A166 F167 A173 Q174	A166-K170 WeakPolarHBondContact O-CB 3.41Å; A166-K170 PolarHBondContact O-N 3.44Å; F167-K170 PolarHBondContact O-N 2.91Å; K170-A173 PolarHBondContact O-N 3.21Å; K170-Q174 WeakPolarHBondContact O-CG 3.42Å; K170-Q174 PolarHBondContact O-N 3.45Å
171	L	52.6	Low	55.4	Low	32 Å²	32	92.6 Å²	92.6	17%	0.168	50%	0.498	C	S	.	.	H	α-helix	trans	-64.8	-40.9	170.2	-78.2	176.9	0	0	0	112.6	F167 M168 E169 Q174 Q175	F167-L171 HydrophobicContact CD1-CD1 3.85Å; F167-L171 HydrophobicContact CE1-CD1 3.45Å; F167-L171 VanDerWaalsContact CE1-CD1 3.45Å; F167-L171 HydrophobicContact CE1-CG 4.26Å; F167-L171 HydrophobicContact CE2-CD1 4.4Å; F167-L171 HydrophobicContact CE2-CG 4.38Å; F167-L171 HydrophobicContact CG-CD1 4.49Å; F167-L171 HydrophobicContact CZ-CD1 3.77Å; F167-L171 HydrophobicContact CZ-CD2 4.48Å; F167-L171 HydrophobicContact CZ-CG 4.19Å; F167-L171 WeakPolarHBondContact O-CB 3.24Å; F167-L171 WeakPolarHBondContact O-CG 3.44Å; F167-L171 PolarHBondContact O-N 3.13Å; M168-L171 HydrophobicContact SD-CD1 4.09Å; E169-L171 VanDerWaalsContact C-N 3.33Å; E169-L171 PolarHBondContact O-N 2.8Å; L171-Q174 PolarHBondContact O-N 3.12Å; L171-Q175 WeakPolarHBondContact O-CB 3.46Å; L171-Q175 WeakPolarHBondContact O-CG 3.45Å; L171-Q175 PolarHBondContact O-N 3.01Å
172	R	57.9	Low	56	Low	126 Å²	126	94.5 Å²	94.5	48%	0.475	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-39.6	175	-85.8	180	-86.5	121	-3.2	111.9	M168 E169 Q175 A176	M168-R172 WeakPolarHBondContact O-CB 3.33Å; M168-R172 WeakPolarHBondContact O-CG 3.24Å; M168-R172 PolarHBondContact O-N 2.89Å; M168-R172 PolarHBondContact O-NE 3.35Å; M168-R172 VanDerWaalsContact O-NE 3.13Å; E169-R172 WeakPolarHBondContact O-CA 3.34Å; E169-R172 WeakPolarHBondContact O-CB 3.03Å; E169-R172 PolarHBondContact O-N 3.33Å; E169-R172 IonicContact OE1-CZ 3.06Å; E169-R172 IonicContact OE1-NH1 3.74Å; E169-R172 PolarHBondContact OE1-NH1 3.38Å; E169-R172 IonicContact OE1-NH2 3.97Å; E169-R172 PolarHBondContact OE1-NH2 3.18Å; R172-Q175 PolarHBondContact O-N 2.91Å; R172-A176 WeakPolarHBondContact O-CB 3.42Å; R172-A176 PolarHBondContact O-N 2.82Å
173	A	60.4	Low	56.7	Low	66 Å²	66	92.6 Å²	92.6	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-44.7	173.2	0	0	0	0	0	112	E169 K170 A176 G177	E169-A173 PolarHBondContact O-N 3.23Å; K170-A173 PolarHBondContact O-N 3.21Å; A173-A176 PolarHBondContact O-N 3.16Å; A173-G177 PolarHBondContact O-N 3.09Å
174	Q	59.5	Low	57.6	Low	120 Å²	120	88.3 Å²	88.3	56%	0.561	48%	0.478	S	S	*	.	H	α-helix	trans	-63.6	-41.3	174.7	-77	-177.9	-30.4	0	0	112.8	K170 L171 G177 L178	K170-Q174 WeakPolarHBondContact O-CG 3.42Å; K170-Q174 PolarHBondContact O-N 3.45Å; L171-Q174 PolarHBondContact O-N 3.12Å; Q174-G177 PolarHBondContact O-N 3.06Å; Q174-L178 PolarHBondContact O-N 3.38Å
175	Q	56.9	Low	58.4	Low	121 Å²	121	91 Å²	91	57%	0.565	49%	0.487	S	S	*	.	H	α-helix	trans	-65.4	-38.7	175.5	-75.2	-171.5	-53.8	0	0	112.2	L171 R172 L178 L179	L171-Q175 WeakPolarHBondContact O-CB 3.46Å; L171-Q175 WeakPolarHBondContact O-CG 3.45Å; L171-Q175 PolarHBondContact O-N 3.01Å; R172-Q175 PolarHBondContact O-N 2.91Å; Q175-L178 PolarHBondContact O-N 3.02Å; Q175-L179 WeakPolarHBondContact O-CB 3.49Å; Q175-L179 VanDerWaalsContact O-CG 3.3Å; Q175-L179 WeakPolarHBondContact O-CG 3.46Å; Q175-L179 PolarHBondContact O-N 2.92Å
176	A	60.6	Low	59.4	Low	61 Å²	61	93 Å²	93	50%	0.504	49%	0.492	S	S	.	.	H	α-helix	trans	-63	-42.9	173.4	0	0	0	0	0	111.7	R172 A173 L179 A180	R172-A176 WeakPolarHBondContact O-CB 3.42Å; R172-A176 PolarHBondContact O-N 2.82Å; A173-A176 PolarHBondContact O-N 3.16Å; A176-L179 PolarHBondContact O-N 3.06Å; A176-A180 WeakPolarHBondContact O-CB 3.37Å; A176-A180 PolarHBondContact O-N 3.17Å
177	G	62	Low	60.1	Low	35 Å²	35	93.6 Å²	93.6	36%	0.361	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-42.9	174.2	0	0	0	0	0	113.3	A173 Q174 A180 N181	A173-G177 PolarHBondContact O-N 3.09Å; Q174-G177 PolarHBondContact O-N 3.06Å; G177-A180 PolarHBondContact O-N 3.37Å; G177-N181 PolarHBondContact O-N 3.15Å
178	L	57.4	Low	60.5	Low	131 Å²	131	94.4 Å²	94.4	69%	0.686	50%	0.499	S	S	*	.	H	α-helix	trans	-64.2	-41.7	176.5	-127.8	78.4	0	0	0	112	Q174 Q175 N181 H182	Q174-L178 PolarHBondContact O-N 3.38Å; Q175-L178 PolarHBondContact O-N 3.02Å; L178-N181 PolarHBondContact O-N 3.16Å; L178-H182 WeakPolarHBondContact O-CB 3.41Å; L178-H182 PolarHBondContact O-N 3.35Å
179	L	63.1	Low	60.8	Low	111 Å²	111	93.7 Å²	93.7	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-66	-40.3	175.5	-73.9	168.5	0	0	0	111.8	Q175 A176 H182 L183	Q175-L179 WeakPolarHBondContact O-CB 3.49Å; Q175-L179 VanDerWaalsContact O-CG 3.3Å; Q175-L179 WeakPolarHBondContact O-CG 3.46Å; Q175-L179 PolarHBondContact O-N 2.92Å; A176-L179 PolarHBondContact O-N 3.06Å; L179-H182 PolarHBondContact O-N 2.66Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 WeakPolarHBondContact O-CD1 3.43Å; L179-L183 VanDerWaalsContact O-CG 3.22Å; L179-L183 WeakPolarHBondContact O-CG 3.41Å; L179-L183 PolarHBondContact O-N 2.86Å
180	A	64.4	Low	61.1	Low	54 Å²	54	93 Å²	93	45%	0.446	50%	0.496	S	S	.	.	H	α-helix	trans	-60.6	-45.1	174.2	0	0	0	0	0	111.6	A176 G177 H182 L183 A184	A176-A180 WeakPolarHBondContact O-CB 3.37Å; A176-A180 PolarHBondContact O-N 3.17Å; G177-A180 PolarHBondContact O-N 3.37Å; A180-H182 PolarHBondContact O-N 3.13Å; A180-L183 PolarHBondContact O-N 3.38Å; A180-A184 WeakPolarHBondContact O-CB 3.41Å; A180-A184 PolarHBondContact O-N 2.71Å
181	N	63.3	Low	61.4	Low	110 Å²	110	90 Å²	90	59%	0.588	50%	0.5	S	S	*	.	H	α-helix	trans	-63.5	-41.1	175.7	-71.4	-3	0	0	0	112.2	G177 L178 A184 W185	G177-N181 PolarHBondContact O-N 3.15Å; L178-N181 PolarHBondContact O-N 3.16Å; N181-A184 PolarHBondContact O-N 3.26Å; N181-W185 PolarHBondContact O-N 3.29Å
182	H	57.7	Low	61.8	Low	117 Å²	117	92.6 Å²	92.6	54%	0.542	52%	0.52	S	S	.	.	H	α-helix	trans	-70.2	-33.5	178.6	-158.8	-32.2	0	0	0	112.4	L178 L179 A180 N186	L178-H182 WeakPolarHBondContact O-CB 3.41Å; L178-H182 PolarHBondContact O-N 3.35Å; L179-H182 PolarHBondContact O-N 2.66Å; A180-H182 PolarHBondContact O-N 3.13Å; H182-N186 PolarHBondContact CE1-OD1 3.42Å; H182-N186 PolarHBondContact ND1-OD1 3.42Å; H182-N186 WeakPolarHBondContact O-CB 3.38Å; H182-N186 PolarHBondContact O-N 2.93Å; H182-N186 PolarHBondContact O-OD1 2.91Å
183	L	66.5	Low	60.9	Low	55 Å²	55	89.6 Å²	89.6	29%	0.288	53%	0.528	S	S	.	.	H	α-helix	trans	-69.7	-39.1	172	-72.4	164.9	0	0	0	111.7	L179 A180 N186 S187	L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 WeakPolarHBondContact O-CD1 3.43Å; L179-L183 VanDerWaalsContact O-CG 3.22Å; L179-L183 WeakPolarHBondContact O-CG 3.41Å; L179-L183 PolarHBondContact O-N 2.86Å; A180-L183 PolarHBondContact O-N 3.38Å; L183-N186 PolarHBondContact O-N 3.03Å; L183-S187 WeakPolarHBondContact O-CB 3.3Å; L183-S187 PolarHBondContact O-N 2.87Å; L183-S187 PolarHBondContact O-OG 3.41Å
184	A	69.1	Low	59.9	Low	49 Å²	49	91.8 Å²	91.8	41%	0.405	53%	0.53	S	S	.	.	H	α-helix	trans	-62.2	-45.3	171.8	0	0	0	0	0	111.5	A180 N181 S187 M188	A180-A184 WeakPolarHBondContact O-CB 3.41Å; A180-A184 PolarHBondContact O-N 2.71Å; N181-A184 PolarHBondContact O-N 3.26Å; A184-S187 WeakPolarHBondContact O-CB 3.39Å; A184-S187 PolarHBondContact O-N 3.3Å; A184-M188 WeakPolarHBondContact O-CG 3.35Å; A184-M188 PolarHBondContact O-N 3.1Å
185	W	65.7	Low	59	Low	180 Å²	180	94.2 Å²	94.2	68%	0.682	54%	0.542	S	S	*	.	H	α-helix	trans	-60.5	-46.5	174.5	-108	64.1	0	0	0	112.9	N181 S187 M188 L189	N181-W185 PolarHBondContact O-N 3.29Å; W185-S187 VanDerWaalsContact C-N 3.27Å; W185-S187 PolarHBondContact O-N 2.83Å; W185-M188 PolarHBondContact O-N 3.19Å; W185-L189 HydrophobicContact CE3-CD1 4.38Å; W185-L189 WeakPolarHBondContact O-CG 3.43Å; W185-L189 PolarHBondContact O-N 3.22Å
186	N	67.8	Low	57.9	Low	66 Å²	66	93 Å²	93	35%	0.353	54%	0.544	S	S	.	.	H	α-helix	trans	-62.5	-36.4	175.7	-69.7	-5.2	0	0	0	111.5	H182 L183 L189 I190	H182-N186 PolarHBondContact CE1-OD1 3.42Å; H182-N186 PolarHBondContact ND1-OD1 3.42Å; H182-N186 WeakPolarHBondContact O-CB 3.38Å; H182-N186 PolarHBondContact O-N 2.93Å; H182-N186 PolarHBondContact O-OD1 2.91Å; L183-N186 PolarHBondContact O-N 3.03Å; N186-L189 PolarHBondContact O-N 3.26Å; N186-I190 WeakPolarHBondContact O-CB 3.47Å; N186-I190 WeakPolarHBondContact O-CD1 3.37Å; N186-I190 VanDerWaalsContact O-CG1 3.25Å; N186-I190 WeakPolarHBondContact O-CG1 3.41Å; N186-I190 PolarHBondContact O-N 3.08Å
187	S	63.9	Low	56.4	Low	75 Å²	75	99.9 Å²	99.9	52%	0.524	56%	0.563	S	S	.	*	H	α-helix	trans	-68.3	-39.4	176	-55.4	0	0	0	0	111.9	L183 A184 W185 A191	L183-S187 WeakPolarHBondContact O-CB 3.3Å; L183-S187 PolarHBondContact O-N 2.87Å; L183-S187 PolarHBondContact O-OG 3.41Å; A184-S187 WeakPolarHBondContact O-CB 3.39Å; A184-S187 PolarHBondContact O-N 3.3Å; W185-S187 VanDerWaalsContact C-N 3.27Å; W185-S187 PolarHBondContact O-N 2.83Å; S187-A191 VanDerWaalsContact O-CB 3.27Å; S187-A191 WeakPolarHBondContact O-CB 3.44Å; S187-A191 PolarHBondContact O-N 3.35Å
188	M	60.5	Low	54.9	Low	128 Å²	128	106.1 Å²	106.1	63%	0.631	59%	0.589	S	S	*	*	H	α-helix	trans	-64.1	-40.9	172.5	-75.3	177	160	0	0	112	A184 W185 A191 S192	A184-M188 WeakPolarHBondContact O-CG 3.35Å; A184-M188 PolarHBondContact O-N 3.1Å; W185-M188 PolarHBondContact O-N 3.19Å; M188-A191 PolarHBondContact O-N 3.43Å; M188-S192 WeakPolarHBondContact O-CB 3.44Å; M188-S192 PolarHBondContact O-N 3.33Å; M188-S192 PolarHBondContact O-OG 2.84Å
189	L	56.6	Low	53.6	Low	65 Å²	65	110.6 Å²	110.6	34%	0.34	60%	0.596	S	S	.	*	H	α-helix	trans	-64.4	-44.2	176.6	-74.9	165.7	0	0	0	112	W185 N186 S192 G193 L194	W185-L189 HydrophobicContact CE3-CD1 4.38Å; W185-L189 WeakPolarHBondContact O-CG 3.43Å; W185-L189 PolarHBondContact O-N 3.22Å; N186-L189 PolarHBondContact O-N 3.26Å; L189-S192 CarbonylContact O-C 3.55Å; L189-S192 PolarHBondContact O-N 2.97Å; L189-S192 VanDerWaalsContact O-N 3.15Å; L189-G193 PolarHBondContact O-N 3.35Å; L189-L194 HydrophobicContact CD2-CD1 4.45Å; L189-L194 PolarHBondContact O-N 2.94Å
190	I	59.4	Low	52	Low	99 Å²	99	113 Å²	113	51%	0.508	61%	0.609	S	S	.	*	H	α-helix	trans	-63.1	-44.5	175	-69	165.3	0	0	0	110.8	N186 S192 G193	N186-I190 WeakPolarHBondContact O-CB 3.47Å; N186-I190 WeakPolarHBondContact O-CD1 3.37Å; N186-I190 VanDerWaalsContact O-CG1 3.25Å; N186-I190 WeakPolarHBondContact O-CG1 3.41Å; N186-I190 PolarHBondContact O-N 3.08Å; I190-S192 PolarHBondContact O-N 3.23Å; I190-G193 PolarHBondContact O-N 2.93Å; I190-G193 VanDerWaalsContact O-N 3.1Å
191	A	64	Low	50.5	Low	90 Å²	90	115.6 Å²	115.6	74%	0.744	62%	0.624	S	S	*	*	H	α-helix	trans	-64.6	-24.5	174.6	0	0	0	0	0	113.3	S187 M188 G193	S187-A191 VanDerWaalsContact O-CB 3.27Å; S187-A191 WeakPolarHBondContact O-CB 3.44Å; S187-A191 PolarHBondContact O-N 3.35Å; M188-A191 PolarHBondContact O-N 3.43Å; A191-G193 VanDerWaalsContact C-N 3.29Å
192	S	62.1	Low	48.8	Very low	85 Å²	85	118.2 Å²	118.2	59%	0.594	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	6.4	174.7	-51.5	0	0	0	0	113.5	M188 L189 I190 L194	M188-S192 WeakPolarHBondContact O-CB 3.44Å; M188-S192 PolarHBondContact O-N 3.33Å; M188-S192 PolarHBondContact O-OG 2.84Å; L189-S192 CarbonylContact O-C 3.55Å; L189-S192 PolarHBondContact O-N 2.97Å; L189-S192 VanDerWaalsContact O-N 3.15Å; I190-S192 PolarHBondContact O-N 3.23Å; S192-L194 PolarHBondContact O-N 3.43Å
193	G	38.3	Very low	47.5	Very low	63 Å²	63	118 Å²	118	65%	0.649	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.6	4.2	178.3	0	0	0	0	0	115.6	L189 I190 A191 Q195	L189-G193 PolarHBondContact O-N 3.35Å; I190-G193 PolarHBondContact O-N 2.93Å; I190-G193 VanDerWaalsContact O-N 3.1Å; A191-G193 VanDerWaalsContact C-N 3.29Å; G193-Q195 PolarHBondContact O-N 3.35Å
194	L	38.6	Very low	46	Very low	112 Å²	112	118.2 Å²	118.2	59%	0.586	67%	0.665	S	S	*	*			trans	-88.6	108.9	-177.7	-67	175.5	0	0	0	110.8	L189 S192	L189-L194 HydrophobicContact CD2-CD1 4.45Å; L189-L194 PolarHBondContact O-N 2.94Å; S192-L194 PolarHBondContact O-N 3.43Å
195	Q	41.2	Very low	44.3	Very low	171 Å²	171	124.6 Å²	124.6	80%	0.799	69%	0.687	S	S	*	*			trans	-61.7	132.4	172.4	-70.4	-76.4	-61.1	0	0	110.8	G193	G193-Q195 PolarHBondContact O-N 3.35Å
196	P	33.7	Very low	42.9	Very low	95 Å²	95	122.9 Å²	122.9	62%	0.617	69%	0.69	S	S	*	*			trans	-58.6	142.1	167	-23.8	34.9	0	0	0	111.7	D198	P196-D198 PolarHBondContact O-N 3.13Å
197	F	29.7	Very low	41.2	Very low	206 Å²	206	125.8 Å²	125.8	90%	0.904	71%	0.706	S	S	*	*			trans	-70.8	97.2	-173.2	-86.2	-97.7	0	0	0	113.7
198	D	30.8	Very low	39.9	Very low	167 Å²	167	126.5 Å²	126.5	89%	0.893	71%	0.71	S	S	*	*			trans	-96.1	71.1	163.1	-105.3	-35.3	0	0	0	111.2	P196	P196-D198 PolarHBondContact O-N 3.13Å
199	R	29.1	Very low	38.6	Very low	225 Å²	225	129.2 Å²	129.2	85%	0.849	72%	0.721	S	S	*	*			trans	-150.4	113.3	165.7	-92.7	-168.9	-177.1	-169.5	1.1	111.9
200	L	29.4	Very low	37.5	Very low	161 Å²	161	131.7 Å²	131.7	84%	0.843	74%	0.744	S	S	*	*				-179.2	99.8	129	-99.6	168.9	0	0	0	109.5
201	S	32.4	Very low	36.4	Very low	109 Å²	109	131 Å²	131	76%	0.762	75%	0.749	S	S	*	*			trans	-131.5	129	162.8	-72.3	0	0	0	0	107.5
202	N	29.4	Very low	35	Very low	164 Å²	164	137.2 Å²	137.2	88%	0.877	75%	0.753	S	S	*	*			trans	63.8	112	174.3	-54.2	-3.2	0	0	0	116.5
203	S	30.2	Very low	33.7	Very low	113 Å²	113	144.3 Å²	144.3	79%	0.79	77%	0.766	S	S	*	*			trans	-150.6	104.1	157.2	59.4	0	0	0	0	110.5
204	G	34.6	Very low	33.5	Very low	60 Å²	60	149.3 Å²	149.3	62%	0.619	78%	0.778	S	S	*	*			trans	-159.7	124.2	161.6	0	0	0	0	0	104.4
205	E	32.4	Very low	33.2	Very low	183 Å²	183	147.3 Å²	147.3	86%	0.855	79%	0.785	S	S	*	*				61.1	112.5	74.9	-70	-176.8	122.3	0	0	110
206	L	36.2	Very low	32.9	Very low	143 Å²	143	147.9 Å²	147.9	75%	0.749	79%	0.787	S	S	*	*			cis	-149.8	172.9	19.7	-101.1	153.3	0	0	0	113.7
207	D	32.9	Very low	33.1	Very low	128 Å²	128	149 Å²	149	68%	0.684	79%	0.792	S	S	*	*			trans	73.2	109.2	148.9	-78.8	-48.6	0	0	0	124.4
208	S	35.7	Very low	33.1	Very low	89 Å²	89	146 Å²	146	62%	0.622	79%	0.785	S	S	*	*				79.3	99.5	113.1	-66.1	0	0	0	0	123.1
209	Q	35	Very low	33.3	Very low	185 Å²	185	145.2 Å²	145.2	86%	0.864	78%	0.781	S	S	*	*				79.8	144.4	129.5	-60.4	-171	3.3	0	0	122.4
210	S	32.4	Very low	33.4	Very low	117 Å²	117	138.7 Å²	138.7	82%	0.818	78%	0.776	S	S	*	*			trans	65.7	106	163	-137.9	0	0	0	0	117.5
211	S	35.4	Very low	33.7	Very low	86 Å²	86	138.4 Å²	138.4	60%	0.601	77%	0.774	S	S	*	*			cis	102.4	109.6	40.8	-178.8	0	0	0	0	113.1
212	R	35	Very low	33.5	Very low	220 Å²	220	138.7 Å²	138.7	83%	0.83	77%	0.772	S	S	*	*			trans	58.1	121.7	156	-54.4	166.8	-170.9	-173.6	1.8	116.1
213	R	35.8	Very low	33.7	Very low	233 Å²	233	135.4 Å²	135.4	88%	0.879	76%	0.761	S	S	*	*				-169.3	-179.8	59.1	-134.5	170.4	-68.1	-161.4	0.9	112.6
214	N	33.1	Very low	33.9	Very low	168 Å²	168	137.4 Å²	137.4	90%	0.898	76%	0.763	S	S	*	*			trans	-94	161.5	-174	-54.3	-17.2	0	0	0	113.9
215	G	33.8	Very low	33.9	Very low	70 Å²	70	139 Å²	139	72%	0.722	77%	0.765	S	S	*	*			trans	135.5	106.4	166.5	0	0	0	0	0	110.8
216	H	34.7	Very low	34.1	Very low	184 Å²	184	137.2 Å²	137.2	85%	0.852	76%	0.76	S	S	*	*				77	143.3	61.1	-87.2	36.8	0	0	0	116.1
217	T	36.7	Very low	34.2	Very low	117 Å²	117	137.2 Å²	137.2	72%	0.718	76%	0.756	S	S	*	*			trans	60.5	96.3	173.4	59.1	0	0	0	0	119
218	D	31.2	Very low	34.4	Very low	143 Å²	143	140 Å²	140	77%	0.765	76%	0.758	S	S	*	*				45.3	153.3	109.9	-50	-33.1	0	0	0	123.1
219	N	34.6	Very low	34.6	Very low	152 Å²	152	144.5 Å²	144.5	81%	0.813	77%	0.769	S	S	*	*			trans	79	91.2	162	-60	-37.4	0	0	0	119.6
220	A	31.6	Very low	34.8	Very low	88 Å²	88	139 Å²	139	73%	0.727	76%	0.761	S	S	*	*				57.6	147.9	108.8	0	0	0	0	0	122.6
221	L	33.8	Very low	35.1	Very low	154 Å²	154	142.5 Å²	142.5	81%	0.806	77%	0.765	S	S	*	*			trans	76	100.2	161.5	-64.4	173.8	0	0	0	119.6
222	T	28.8	Very low	35.2	Very low	116 Å²	116	143.9 Å²	143.9	71%	0.712	77%	0.766	S	S	*	*				44.3	120.9	127	58.3	0	0	0	0	120.6
223	S	33.1	Very low	35.5	Very low	95 Å²	95	140.7 Å²	140.7	66%	0.664	76%	0.757	S	S	*	*				162	147.5	104.9	-70.4	0	0	0	0	113.1
224	N	34.4	Very low	35.5	Very low	154 Å²	154	139.7 Å²	139.7	82%	0.824	75%	0.754	S	S	*	*			trans	66.2	154.8	154.6	-60.2	-15.9	0	0	0	117.3
225	S	35.8	Very low	35.7	Very low	93 Å²	93	139.2 Å²	139.2	65%	0.65	75%	0.751	S	S	*	*			cis	-159	179.7	-7.8	-117.8	0	0	0	0	111.1
226	L	36.8	Very low	35.7	Very low	146 Å²	146	139.1 Å²	139.1	76%	0.764	75%	0.75	S	S	*	*			trans	75.8	110.6	172	-62.7	119.8	0	0	0	114.7
227	E	36.9	Very low	35.6	Very low	143 Å²	143	138.2 Å²	138.2	67%	0.668	75%	0.751	S	S	*	*				78.2	129.1	72.3	-84.6	-158.1	178.3	0	0	112.2
228	R	37.8	Very low	35.3	Very low	188 Å²	188	137.6 Å²	137.6	71%	0.709	76%	0.757	S	S	*	*			cis	-147.3	157.4	27.4	-66.6	-172.6	170.5	169.1	-0.6	114.5
229	Q	39.6	Very low	35.4	Very low	183 Å²	183	136.1 Å²	136.1	86%	0.855	76%	0.756	S	S	*	*			trans	41.4	125.4	136.9	-62.7	160.3	-15.2	0	0	119.5
230	G	39.7	Very low	35	Very low	69 Å²	69	134.8 Å²	134.8	71%	0.711	76%	0.758	S	S	*	*			cis	176.1	171.7	-1.8	0	0	0	0	0	114.1
231	E	37.9	Very low	35	Very low	190 Å²	190	136.7 Å²	136.7	89%	0.888	76%	0.761	S	S	*	*			trans	36.8	141.5	149.6	-57.5	-173.2	125.7	0	0	122.8
232	D	37.9	Very low	34.8	Very low	116 Å²	116	134.2 Å²	134.2	62%	0.62	75%	0.754	S	S	*	*			cis	-167.8	171.2	-27.5	-156.7	-7.2	0	0	0	109.7
233	K	41.2	Very low	34.6	Very low	152 Å²	152	134.7 Å²	134.7	66%	0.661	76%	0.757	S	S	*	*			trans	59.4	103.2	152.3	-74.9	147.9	-173.4	134.3	0	119.6
234	R	37	Very low	34.6	Very low	213 Å²	213	139.5 Å²	139.5	80%	0.804	77%	0.769	S	S	*	*				101.9	122.3	112.1	-78.7	-178.5	175.2	-141.9	-1.6	120.9
235	L	37	Very low	34.2	Very low	158 Å²	158	138.5 Å²	138.5	83%	0.827	76%	0.764	S	S	*	*			trans	73	122.6	134.6	-63.4	168.3	0	0	0	119.9
236	G	33.6	Very low	34.2	Very low	68 Å²	68	141 Å²	141	70%	0.701	77%	0.774	S	S	*	*			trans	120	91.2	130.5	0	0	0	0	0	117.4
237	N	33.3	Very low	33.7	Very low	164 Å²	164	140.2 Å²	140.2	88%	0.877	77%	0.771	S	S	*	*			trans	40.8	111.8	146.9	-58.6	-11.5	0	0	0	119.1
238	A	29.9	Very low	33.7	Very low	104 Å²	104	142.5 Å²	142.5	86%	0.86	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-62.3	129.8	174.6	0	0	0	0	0	113.4
239	P	33.2	Very low	33.6	Very low	112 Å²	112	142.6 Å²	142.6	73%	0.727	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-86.4	138.9	167.2	33.7	-31.9	0	0	0	111.3
240	S	26.3	Very low	33.2	Very low	124 Å²	124	142.2 Å²	142.2	87%	0.867	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-84.6	120.5	169.1	54.9	0	0	0	0	110.8
241	V	31.8	Very low	32.9	Very low	128 Å²	128	146 Å²	146	78%	0.776	79%	0.791	S	S	*	*			trans	-128.9	142.2	178.1	-178.9	0	0	0	0	109
242	P	29.2	Very low	32.4	Very low	103 Å²	103	141.6 Å²	141.6	67%	0.669	79%	0.788	S	S	*	*			trans	-105.3	165.4	-162.6	40.9	-36.7	0	0	0	115.5
243	T	23.8	Very low	32.3	Very low	126 Å²	126	144.2 Å²	144.2	77%	0.773	80%	0.801	S	S	*	*			trans	38.6	118.9	147.7	54.8	0	0	0	0	120.3
244	Q	33	Very low	31.6	Very low	196 Å²	196	142.4 Å²	142.4	92%	0.916	80%	0.798	S	S	*	*			trans	-150.7	165.5	136.6	-117.1	164.4	11.3	0	0	111.6
245	N	25.7	Very low	31.3	Very low	133 Å²	133	139.9 Å²	139.9	71%	0.711	80%	0.8	S	S	*	*			trans	-85.5	158.5	-163.9	-52.9	-14.6	0	0	0	112.9
246	V	36.1	Very low	31	Very low	145 Å²	145	141.8 Å²	141.8	88%	0.879	80%	0.796	S	S	*	*			trans	-136	130.3	144.2	-166.8	0	0	0	0	106
247	D	26.5	Very low	31	Very low	130 Å²	130	144.6 Å²	144.6	70%	0.695	80%	0.799	S	S	*	*			trans	-94	-153	178.9	-65	-77.4	0	0	0	110.4
248	E	37.4	Very low	30.7	Very low	190 Å²	190	142.7 Å²	142.7	89%	0.888	79%	0.789	S	S	*	*			trans	76.3	97.8	-168.7	-55.8	-178.1	-176.8	0	0	113
249	E	35.2	Very low	30.8	Very low	190 Å²	190	144.5 Å²	144.5	89%	0.888	79%	0.792	S	S	*	*			cis	88.1	85.9	46.6	-165.8	176.8	-173.8	0	0	113.9
250	E	32	Very low	30.7	Very low	175 Å²	175	142.6 Å²	142.6	82%	0.818	79%	0.786	S	S	*	*			trans	-156.7	148.9	144.1	-121.9	-162.7	137.5	0	0	112.9
251	L	33	Very low	31	Very low	148 Å²	148	144.5 Å²	144.5	78%	0.775	78%	0.781	S	S	*	*			trans	49.5	72.8	168.4	-86.2	68.6	0	0	0	118.1
252	A	27.7	Very low	31.3	Very low	98 Å²	98	146.8 Å²	146.8	81%	0.81	79%	0.787	S	S	*	*			trans	-83.2	133	144.1	0	0	0	0	0	110.3
253	L	36	Very low	31.5	Very low	171 Å²	171	150.4 Å²	150.4	90%	0.895	80%	0.795	S	S	*	*			trans	-136.8	112.8	159.1	-96.4	172.6	0	0	0	108.6
254	D	26	Very low	31.9	Very low	114 Å²	114	148.8 Å²	148.8	61%	0.61	80%	0.795	S	S	*	*			trans	-62.2	147.4	178	-90.1	-87.7	0	0	0	111.9	R256	D254-R256 IonicContact OD1-NE 2.83Å; D254-R256 PolarHBondContact OD1-NE 3.38Å; D254-R256 IonicContact OD1-NH2 3.24Å
255	L	31.3	Very low	32	Very low	160 Å²	160	145.5 Å²	145.5	84%	0.838	79%	0.79	S	S	*	*			trans	-149.8	86.4	140.3	-116.2	169.6	0	0	0	109.3	V257	L255-V257 HydrophobicContact CD2-CG2 4.34Å
256	R	28.9	Very low	32.5	Very low	198 Å²	198	143.7 Å²	143.7	75%	0.747	79%	0.794	S	S	*	*			trans	-67.7	133.8	165.7	-57.1	176.6	-165.1	-176.7	0.2	108	D254	D254-R256 IonicContact OD1-NE 2.83Å; D254-R256 PolarHBondContact OD1-NE 3.38Å; D254-R256 IonicContact OD1-NH2 3.24Å
257	V	34.7	Very low	32.4	Very low	127 Å²	127	145.8 Å²	145.8	77%	0.77	79%	0.791	S	S	*	*			trans	-132.6	102.4	169.2	-177.1	0	0	0	0	107.1	L255	L255-V257 HydrophobicContact CD2-CG2 4.34Å
258	D	27.9	Very low	32.9	Very low	124 Å²	124	151.6 Å²	151.6	66%	0.663	80%	0.803	S	S	*	*			trans	-66.6	142.1	175.1	-70.5	-73.2	0	0	0	110.7	A260	D258-A260 PolarHBondContact O-N 3.44Å
259	P	30.9	Very low	32.7	Very low	143 Å²	143	150.3 Å²	150.3	93%	0.929	80%	0.797	S	S	*	*	S	Bend	trans	-78.8	56.2	175.7	34.1	-35.9	0	0	0	111.5
260	A	31.5	Very low	32.7	Very low	71 Å²	71	149.1 Å²	149.1	59%	0.587	80%	0.797	S	S	*	*			trans	-141.1	163.6	172.9	0	0	0	0	0	108.9	D258	D258-A260 PolarHBondContact O-N 3.44Å
261	Q	32	Very low	32.6	Very low	165 Å²	165	143.8 Å²	143.8	77%	0.771	79%	0.789	S	S	*	*			trans	70.7	63.2	-172.6	-44.8	-60.7	2.1	0	0	115.8
262	I	37.9	Very low	32.5	Very low	175 Å²	175	145.7 Å²	145.7	90%	0.897	79%	0.794	S	S	*	*			trans	-125.5	119.5	139.4	-60.6	-177.8	0	0	0	106.4
263	E	34.3	Very low	32.6	Very low	179 Å²	179	146.6 Å²	146.6	84%	0.836	79%	0.789	S	S	*	*			trans	-80.9	158.6	-170.9	-60.4	-172.8	120	0	0	113.1
264	A	31.1	Very low	32.3	Very low	93 Å²	93	147.5 Å²	147.5	77%	0.769	79%	0.789	S	S	*	*			trans	-126.5	140.1	179.7	0	0	0	0	0	111.8
265	P	35.5	Very low	32.6	Very low	127 Å²	127	147.6 Å²	147.6	83%	0.825	80%	0.799	S	S	*	*			trans	-85.4	126.6	175.5	31.7	-32.2	0	0	0	113.5
266	A	35.7	Very low	32.4	Very low	95 Å²	95	144.7 Å²	144.7	79%	0.785	79%	0.792	S	S	*	*			trans	56	90.3	144.5	0	0	0	0	0	120.9
267	K	35.3	Very low	32.4	Very low	189 Å²	189	142.5 Å²	142.5	82%	0.822	80%	0.795	S	S	*	*			trans	-6.3	139.9	139.9	-56.8	170.8	-179.3	175	0	118.1
268	R	35.8	Very low	32.2	Very low	251 Å²	251	143.3 Å²	143.3	95%	0.947	80%	0.795	S	S	*	*				-147.5	159.5	116.2	-106.6	166.9	-165.7	-159.3	2.4	110.3
269	Q	34.7	Very low	32.4	Very low	164 Å²	164	147.3 Å²	147.3	77%	0.766	81%	0.807	S	S	*	*			trans	-116.3	176.9	-163.6	-66.5	175.8	-79.8	0	0	112.6
270	N	33.6	Very low	32.3	Very low	165 Å²	165	146.9 Å²	146.9	88%	0.882	80%	0.795	S	S	*	*			trans	85.2	132.2	173.3	-46.5	-9.6	0	0	0	113.9
271	G	31	Very low	32.1	Very low	63 Å²	63	148.7 Å²	148.7	65%	0.649	80%	0.803	S	S	*	*			cis	157.6	136.4	-9	0	0	0	0	0	112
272	E	31	Very low	32	Very low	188 Å²	188	147.2 Å²	147.2	88%	0.879	80%	0.799	S	S	*	*			trans	65	152.4	170.6	-56.7	-177.3	115.1	0	0	114.9
273	T	29	Very low	31.5	Very low	116 Å²	116	146.5 Å²	146.5	71%	0.712	79%	0.792	S	S	*	*			cis	-145.1	169.4	-10.8	-1.4	0	0	0	0	110.8
274	Q	30.9	Very low	31.6	Very low	190 Å²	190	145 Å²	145	89%	0.888	79%	0.785	S	S	*	*			trans	-24.4	130.4	168.8	-60.8	162.3	-14.3	0	0	117.4
275	S	31.4	Very low	31.5	Very low	117 Å²	117	148.2 Å²	148.2	82%	0.818	79%	0.789	S	S	*	*			trans	-153	151.8	132.1	-164.8	0	0	0	0	111.3
276	S	28.5	Very low	31.1	Very low	98 Å²	98	147.4 Å²	147.4	69%	0.685	79%	0.785	S	S	*	*			trans	-77.4	140.8	172	50.9	0	0	0	0	111.2
277	N	28.5	Very low	30.7	Very low	152 Å²	152	154 Å²	154	81%	0.813	79%	0.79	S	S	*	*			trans	-162.2	155.2	146.6	-96.4	-23	0	0	0	112	K279	N277-K279 PolarHBondContact O-N 3.33Å
278	D	29.9	Very low	30.4	Very low	144 Å²	144	149.7 Å²	149.7	77%	0.77	78%	0.781	S	S	*	*			trans	-50.5	115.4	-166.6	-59.6	-59.8	0	0	0	116.6	I280	D278-I280 VanDerWaalsContact C-N 3.3Å; D278-I280 PolarHBondContact O-N 3.06Å
279	K	31.8	Very low	30.1	Very low	209 Å²	209	144.8 Å²	144.8	91%	0.909	77%	0.773	S	S	*	*			trans	-76.8	82.5	161.9	-82.5	-171.4	173.3	179.5	0	110.6	N277 S281	N277-K279 PolarHBondContact O-N 3.33Å; K279-S281 PolarHBondContact O-N 2.76Å
280	I	28	Very low	29.9	Very low	134 Å²	134	148.3 Å²	148.3	69%	0.687	78%	0.779	S	S	*	*			trans	-53.8	119.4	169.5	-45.4	179.1	0	0	0	108.5	D278 I282	D278-I280 VanDerWaalsContact C-N 3.3Å; D278-I280 PolarHBondContact O-N 3.06Å; I280-I282 HydrophobicContact CB-CD1 4.34Å; I280-I282 HydrophobicContact CB-CG1 4.1Å; I280-I282 HydrophobicContact CG2-CD1 3.9Å; I280-I282 HydrophobicContact CG2-CG1 3.56Å; I280-I282 PolarHBondContact O-N 3.47Å
281	S	29.2	Very low	29.8	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	77%	0.773	S	S	*	*			trans	-84	57.5	-168.1	-151.2	0	0	0	0	113.1	K279 H283	K279-S281 PolarHBondContact O-N 2.76Å; S281-H283 VanDerWaalsContact C-N 3.28Å; S281-H283 PolarHBondContact O-N 3.37Å
282	I	28.6	Very low	29.8	Very low	134 Å²	134	155.2 Å²	155.2	69%	0.687	78%	0.775	S	S	*	*			trans	-81.8	61.7	-177	-39.9	177.5	0	0	0	111.3	I280	I280-I282 HydrophobicContact CB-CD1 4.34Å; I280-I282 HydrophobicContact CB-CG1 4.1Å; I280-I282 HydrophobicContact CG2-CD1 3.9Å; I280-I282 HydrophobicContact CG2-CG1 3.56Å; I280-I282 PolarHBondContact O-N 3.47Å
283	H	27.7	Very low	30	Very low	159 Å²	159	151.8 Å²	151.8	74%	0.736	76%	0.762	S	S	*	*			trans	-165.6	104	162.9	-112	-75.8	0	0	0	112.8	S281	S281-H283 VanDerWaalsContact C-N 3.28Å; S281-H283 PolarHBondContact O-N 3.37Å
284	Q	35.6	Very low	31.1	Very low	149 Å²	149	156.9 Å²	156.9	70%	0.696	77%	0.77	S	S	*	*	S	Bend	trans	-159.1	-23.9	160.6	-131.6	138.5	121.7	0	0	117
285	D	29.7	Very low	32.5	Very low	160 Å²	160	150.2 Å²	150.2	86%	0.856	74%	0.74	S	S	*	*			trans	-93	-4.2	-168.8	-69.1	-49.4	0	0	0	116.3	R287	D285-R287 PolarHBondContact O-N 3.1Å
286	C	27.8	Very low	34.6	Very low	110 Å²	110	147.1 Å²	147.1	74%	0.743	72%	0.722	S	S	*	*			trans	-71.6	95.5	166.8	-73.1	0	0	0	0	110.1	P288	C286-P288 VanDerWaalsContact O-CD 3.27Å; C286-P288 WeakPolarHBondContact O-CD 3.38Å
287	R	26.4	Very low	36.5	Very low	233 Å²	233	146.5 Å²	146.5	88%	0.879	71%	0.711	S	S	*	*			trans	-114.1	48.1	-176.9	-150.7	-172.4	-144.9	-137.3	9.9	115.6	D285	D285-R287 PolarHBondContact O-N 3.1Å
288	P	28.8	Very low	38.8	Very low	99 Å²	99	146.7 Å²	146.7	64%	0.643	71%	0.707	S	S	*	*			trans	-65.1	156	171.2	31.4	-34.3	0	0	0	111.2	C286 R290	C286-P288 VanDerWaalsContact O-CD 3.27Å; C286-P288 WeakPolarHBondContact O-CD 3.38Å; P288-R290 PolarHBondContact O-N 3.44Å
289	L	28.9	Very low	41.1	Very low	147 Å²	147	141.9 Å²	141.9	77%	0.77	68%	0.68	S	S	*	*			trans	-33.2	125.7	-175.6	-61.3	166.8	0	0	0	115.2	Y291 R292	L289-Y291 PolarHBondContact O-N 2.82Å; L289-R292 PolarHBondContact O-N 3.19Å
290	R	30.8	Very low	43.1	Very low	239 Å²	239	134 Å²	134	90%	0.902	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	31.7	-171.5	-149	-173.7	-160.3	-174.6	5.5	116.1	P288	P288-R290 PolarHBondContact O-N 3.44Å
291	Y	31.4	Very low	45.3	Very low	190 Å²	190	133.3 Å²	133.3	75%	0.745	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.1	7.8	-178.1	-82.8	-78.7	0	0	0	113.5	L289 N293	L289-Y291 PolarHBondContact O-N 2.82Å; Y291-N293 PolarHBondContact O-N 3.38Å; Y291-N293 VanDerWaalsContact O-N 3.1Å
292	R	32.5	Very low	47.7	Very low	183 Å²	183	131 Å²	131	69%	0.691	62%	0.624	S	S	*	*			trans	-81.8	34.3	175	-155.1	-169	175.4	170.8	-1.1	113.1	L289 D297	L289-R292 PolarHBondContact O-N 3.19Å; R292-D297 IonicContact NH2-OD1 3.98Å
293	N	34.7	Very low	50	Low	115 Å²	115	124.6 Å²	124.6	62%	0.615	59%	0.591	S	S	*	*			trans	-116.9	147.7	177.2	-63.5	38.9	0	0	0	108.3	Y291	Y291-N293 PolarHBondContact O-N 3.38Å; Y291-N293 VanDerWaalsContact O-N 3.1Å
294	Y	51.6	Low	52.2	Low	223 Å²	223	119.2 Å²	119.2	88%	0.875	57%	0.57	S	S	*	*	S	Bend	trans	71.9	28.2	176.3	-46	-77.5	0	0	0	117.7
295	L	60.7	Low	54.2	Low	50 Å²	50	116.9 Å²	116.9	26%	0.262	56%	0.558	S	S	.	*			trans	-136.8	135.4	162.3	-69.9	176.3	0	0	0	110.2	Q299 V300 L303 I327 V331	L295-Q299 HydrophobicContact CD2-CB 4.33Å; L295-V300 HydrophobicContact CB-CG2 3.89Å; L295-V300 HydrophobicContact CD1-CG2 4.29Å; L295-L303 HydrophobicContact CD1-CD1 3.9Å; L295-I327 HydrophobicContact CD2-CD1 3.6Å; L295-I327 HydrophobicContact CD2-CG1 3.74Å; L295-I327 HydrophobicContact CD2-CG2 4.05Å; L295-V331 HydrophobicContact CD1-CG1 4.21Å; L295-V331 HydrophobicContact CD2-CG1 4.33Å; L295-V331 HydrophobicContact CG-CG1 4.43Å
296	A	75	Confident	56.4	Low	52 Å²	52	111 Å²	111	43%	0.43	53%	0.526	S	S	.	.			trans	-70.5	156.4	170.1	0	0	0	0	0	110.9	E298 Q299 V300	A296-E298 VanDerWaalsContact C-N 3.32Å; A296-E298 PolarHBondContact O-N 3.34Å; A296-Q299 HydrophobicContact CB-CG 4.34Å; A296-Q299 WeakPolarHBondContact O-CB 3.48Å; A296-Q299 PolarHBondContact O-N 2.81Å; A296-V300 WeakPolarHBondContact O-CG2 3.34Å; A296-V300 PolarHBondContact O-N 3.41Å
297	D	67.8	Low	58.8	Low	86 Å²	86	107 Å²	107	46%	0.46	50%	0.496	S	S	.	.	H	α-helix	trans	-66.1	-35.6	-176.3	-153.2	79.6	0	0	0	111.9	R292 Q299 V300 Q301	R292-D297 IonicContact NH2-OD1 3.98Å; D297-Q299 PolarHBondContact O-N 3.26Å; D297-V300 CarbonylContact O-C 3.33Å; D297-V300 WeakPolarHBondContact O-CA 3.5Å; D297-V300 WeakPolarHBondContact O-CB 3.45Å; D297-V300 PolarHBondContact O-N 3.28Å; D297-V300 VanDerWaalsContact O-N 3.09Å; D297-Q301 WeakPolarHBondContact O-CG 3.25Å; D297-Q301 PolarHBondContact O-N 2.85Å; D297-Q301 PolarHBondContact OD2-NE2 3.19Å
298	E	77.3	Confident	60.7	Low	155 Å²	155	102.7 Å²	102.7	72%	0.724	48%	0.48	S	S	*	.	H	α-helix	trans	-55.5	-47.9	170.5	-60.5	-179.4	162.3	0	0	112.5	A296 V300 Q301 V302	A296-E298 VanDerWaalsContact C-N 3.32Å; A296-E298 PolarHBondContact O-N 3.34Å; E298-V300 VanDerWaalsContact C-N 3.29Å; E298-V300 PolarHBondContact O-N 2.89Å; E298-Q301 PolarHBondContact O-N 2.91Å; E298-Q301 VanDerWaalsContact O-N 3.16Å; E298-V302 WeakPolarHBondContact O-CG2 3.31Å; E298-V302 PolarHBondContact O-N 2.93Å
299	Q	78.1	Confident	63	Low	43 Å²	43	103 Å²	103	20%	0.201	48%	0.48	C	S	.	.	H	α-helix	trans	-59.5	-40.9	175.6	-74	174	-32.2	0	0	111	L295 A296 D297 L303 L325 I327	L295-Q299 HydrophobicContact CD2-CB 4.33Å; A296-Q299 HydrophobicContact CB-CG 4.34Å; A296-Q299 WeakPolarHBondContact O-CB 3.48Å; A296-Q299 PolarHBondContact O-N 2.81Å; D297-Q299 PolarHBondContact O-N 3.26Å; Q299-L303 WeakPolarHBondContact O-CB 3.49Å; Q299-L303 WeakPolarHBondContact O-CD1 3.24Å; Q299-L303 WeakPolarHBondContact O-CG 3.47Å; Q299-L303 PolarHBondContact O-N 3.09Å; Q299-L325 PolarHBondContact NE2-O 2.93Å; Q299-I327 HydrophobicContact CB-CD1 4.07Å; Q299-I327 HydrophobicContact CG-CD1 4.18Å; Q299-I327 HydrophobicContact CG-CG1 4.39Å
300	V	73.4	Confident	65.1	Low	44 Å²	44	97.7 Å²	97.7	27%	0.267	45%	0.452	S	S	.	.	H	α-helix	trans	-65.8	-41.5	175.7	176.7	0	0	0	0	111.3	L295 A296 D297 E298 L303 V304	L295-V300 HydrophobicContact CB-CG2 3.89Å; L295-V300 HydrophobicContact CD1-CG2 4.29Å; A296-V300 WeakPolarHBondContact O-CG2 3.34Å; A296-V300 PolarHBondContact O-N 3.41Å; D297-V300 CarbonylContact O-C 3.33Å; D297-V300 WeakPolarHBondContact O-CA 3.5Å; D297-V300 WeakPolarHBondContact O-CB 3.45Å; D297-V300 PolarHBondContact O-N 3.28Å; D297-V300 VanDerWaalsContact O-N 3.09Å; E298-V300 VanDerWaalsContact C-N 3.29Å; E298-V300 PolarHBondContact O-N 2.89Å; V300-L303 PolarHBondContact O-N 3.49Å; V300-V304 HydrophobicContact CG1-CG2 4.34Å; V300-V304 WeakPolarHBondContact O-CB 3.49Å; V300-V304 VanDerWaalsContact O-CG2 3.24Å; V300-V304 WeakPolarHBondContact O-CG2 3.47Å; V300-V304 PolarHBondContact O-N 3.4Å
301	Q	74.5	Confident	66.9	Low	119 Å²	119	89.6 Å²	89.6	56%	0.556	43%	0.431	S	S	*	.	H	α-helix	trans	-64.2	-44.7	178	-70.4	178.3	38.7	0	0	111.9	D297 E298 V304 Q305	D297-Q301 WeakPolarHBondContact O-CG 3.25Å; D297-Q301 PolarHBondContact O-N 2.85Å; D297-Q301 PolarHBondContact OD2-NE2 3.19Å; E298-Q301 PolarHBondContact O-N 2.91Å; E298-Q301 VanDerWaalsContact O-N 3.16Å; Q301-V304 PolarHBondContact O-N 3.48Å; Q301-Q305 WeakPolarHBondContact O-CB 3.36Å; Q301-Q305 PolarHBondContact O-N 2.89Å
302	V	80.5	Confident	68.9	Low	61 Å²	61	87.9 Å²	87.9	37%	0.37	43%	0.427	S	S	.	.	H	α-helix	trans	-66.9	-40	177	-179.4	0	0	0	0	111.6	E298 Q305 H306 L325	E298-V302 WeakPolarHBondContact O-CG2 3.31Å; E298-V302 PolarHBondContact O-N 2.93Å; V302-Q305 PolarHBondContact O-N 3.38Å; V302-H306 WeakPolarHBondContact O-CB 3.41Å; V302-H306 PolarHBondContact O-N 2.97Å; V302-L325 HydrophobicContact CB-CD1 4.42Å; V302-L325 HydrophobicContact CB-CD2 3.9Å; V302-L325 HydrophobicContact CG1-CD1 4.25Å; V302-L325 HydrophobicContact CG1-CD2 3.86Å; V302-L325 HydrophobicContact CG2-CD2 4.31Å
303	L	76.7	Confident	71.1	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-58.9	-50.6	171.8	-71.8	167.1	0	0	0	111	L295 Q299 V300 Q305 H306 F307 L321 L325 I327 V332 W335	L295-L303 HydrophobicContact CD1-CD1 3.9Å; Q299-L303 WeakPolarHBondContact O-CB 3.49Å; Q299-L303 WeakPolarHBondContact O-CD1 3.24Å; Q299-L303 WeakPolarHBondContact O-CG 3.47Å; Q299-L303 PolarHBondContact O-N 3.09Å; V300-L303 PolarHBondContact O-N 3.49Å; L303-Q305 VanDerWaalsContact C-N 3.28Å; L303-Q305 PolarHBondContact O-N 3.49Å; L303-H306 PolarHBondContact O-N 2.94Å; L303-F307 HydrophobicContact CB-CD2 4.37Å; L303-F307 HydrophobicContact CB-CE2 4.36Å; L303-F307 HydrophobicContact CD2-CE2 3.88Å; L303-F307 WeakPolarHBondContact O-CD2 3.35Å; L303-F307 PolarHBondContact O-N 2.89Å; L303-L321 HydrophobicContact CD2-CD2 3.91Å; L303-L321 HydrophobicContact CD2-CG 4.31Å; L303-L325 HydrophobicContact CD2-CD1 3.92Å; L303-L325 HydrophobicContact CG-CD1 3.93Å; L303-I327 HydrophobicContact CD1-CD1 3.97Å; L303-I327 HydrophobicContact CD2-CD1 4.5Å; L303-I327 HydrophobicContact CG-CD1 4.38Å; L303-V332 HydrophobicContact CD2-CG1 4.01Å; L303-V332 HydrophobicContact CD2-CG2 4.21Å; L303-W335 HydrophobicContact CB-CZ2 4.34Å; L303-W335 HydrophobicContact CD1-CG 4.33Å
304	V	73.7	Confident	73.4	Confident	46 Å²	46	77.4 Å²	77.4	28%	0.279	39%	0.388	S	S	.	.	H	α-helix	trans	-57	-42	178	167	0	0	0	0	111.5	V300 Q301 R308 W335	V300-V304 HydrophobicContact CG1-CG2 4.34Å; V300-V304 WeakPolarHBondContact O-CB 3.49Å; V300-V304 VanDerWaalsContact O-CG2 3.24Å; V300-V304 WeakPolarHBondContact O-CG2 3.47Å; V300-V304 PolarHBondContact O-N 3.4Å; Q301-V304 PolarHBondContact O-N 3.48Å; V304-R308 WeakPolarHBondContact O-CD 3.49Å; V304-R308 VanDerWaalsContact O-CG 3.24Å; V304-R308 WeakPolarHBondContact O-CG 3.36Å; V304-R308 PolarHBondContact O-N 3.39Å; V304-W335 HydrophobicContact CG2-CH2 3.78Å; V304-W335 HydrophobicContact CG2-CZ2 3.66Å
305	Q	77.8	Confident	74.8	Confident	99 Å²	99	74.8 Å²	74.8	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-73.7	-40.8	-179.2	-167.4	64	4.2	0	0	112.4	Q301 V302 L303 R308 T309	Q301-Q305 WeakPolarHBondContact O-CB 3.36Å; Q301-Q305 PolarHBondContact O-N 2.89Å; V302-Q305 PolarHBondContact O-N 3.38Å; L303-Q305 VanDerWaalsContact C-N 3.28Å; L303-Q305 PolarHBondContact O-N 3.49Å; Q305-R308 WeakPolarHBondContact O-CB 3.44Å; Q305-R308 PolarHBondContact O-N 2.85Å; Q305-T309 PolarHBondContact O-N 3.21Å; Q305-T309 VanDerWaalsContact O-N 3.11Å; Q305-T309 PolarHBondContact O-OG1 2.88Å
306	H	76.3	Confident	75.9	Confident	38 Å²	38	80 Å²	80	18%	0.176	40%	0.404	C	S	.	.	H	α-helix	trans	-63.8	-42.8	176.5	-174.6	95.4	0	0	0	112	V302 L303 R308 T309 N310 L321	V302-H306 WeakPolarHBondContact O-CB 3.41Å; V302-H306 PolarHBondContact O-N 2.97Å; L303-H306 PolarHBondContact O-N 2.94Å; H306-R308 PolarHBondContact O-N 3.41Å; H306-T309 PolarHBondContact O-N 2.93Å; H306-T309 PolarHBondContact O-OG1 3.29Å; H306-N310 PolarHBondContact O-N 2.7Å; H306-L321 HydrophobicContact CB-CD1 4.1Å; H306-L321 HydrophobicContact CB-CD2 4.14Å; H306-L321 VanDerWaalsContact CD2-CD2 3.49Å; H306-L321 WeakPolarHBondContact CD2-CD2 3.47Å
307	F	77.5	Confident	76.3	Confident	26 Å²	26	80.4 Å²	80.4	11%	0.114	40%	0.397	C	S	.	.	H	α-helix	trans	-74.5	-8.1	176.4	-68.1	-61.8	0	0	0	114.2	L303 P313 L318 L321 V332 W335 F336	L303-F307 HydrophobicContact CB-CD2 4.37Å; L303-F307 HydrophobicContact CB-CE2 4.36Å; L303-F307 HydrophobicContact CD2-CE2 3.88Å; L303-F307 WeakPolarHBondContact O-CD2 3.35Å; L303-F307 PolarHBondContact O-N 2.89Å; F307-P313 HydrophobicContact CD1-CG 4Å; F307-P313 HydrophobicContact CE1-CG 3.68Å; F307-L318 HydrophobicContact CE1-CD2 3.72Å; F307-L318 HydrophobicContact CZ-CD2 3.75Å; F307-L321 HydrophobicContact CE2-CD2 4.36Å; F307-L321 HydrophobicContact CZ-CD2 4.22Å; F307-V332 HydrophobicContact CZ-CG1 4.05Å; F307-W335 HydrophobicContact CB-CZ3 4.12Å; F307-W335 HydrophobicContact CD2-CD2 4.39Å; F307-W335 AromaticContact CD2-CE3 3.36Å; F307-W335 HydrophobicContact CD2-CE3 3.36Å; F307-W335 HydrophobicContact CD2-CH2 4.11Å; F307-W335 AromaticContact CD2-CZ3 3.2Å; F307-W335 HydrophobicContact CD2-CZ3 3.2Å; F307-W335 HydrophobicContact CE2-CD2 4.24Å; F307-W335 AromaticContact CE2-CE3 3.45Å; F307-W335 HydrophobicContact CE2-CE3 3.45Å; F307-W335 VanDerWaalsContact CE2-CE3 3.45Å; F307-W335 AromaticContact CE2-CZ3 3.83Å; F307-W335 HydrophobicContact CE2-CZ3 3.83Å; F307-W335 HydrophobicContact CG-CE3 4.31Å; F307-W335 AromaticContact CG-CZ3 3.91Å; F307-W335 HydrophobicContact CG-CZ3 3.91Å; F307-W335 HydrophobicContact CZ-CE3 4.44Å; F307-F336 AromaticContact CD1-CD2 3.66Å; F307-F336 HydrophobicContact CD1-CD2 3.66Å; F307-F336 HydrophobicContact CD1-CE2 4.23Å; F307-F336 HydrophobicContact CE1-CB 3.81Å; F307-F336 AromaticContact CE1-CD2 3.39Å; F307-F336 HydrophobicContact CE1-CD2 3.39Å; F307-F336 HydrophobicContact CE1-CE2 4.18Å; F307-F336 AromaticContact CE1-CG 3.86Å; F307-F336 HydrophobicContact CE1-CG 3.86Å; F307-F336 HydrophobicContact CZ-CB 3.77Å; F307-F336 HydrophobicContact CZ-CD2 4.22Å; F307-F336 HydrophobicContact CZ-CG 4.34Å
308	R	67.7	Low	77.1	Confident	141 Å²	141	77.1 Å²	77.1	53%	0.532	38%	0.38	S	S	.	.	H	α-helix	trans	-83.2	-40.1	165.7	-77.7	163.8	169	178.9	-4.1	112	V304 Q305 H306	V304-R308 WeakPolarHBondContact O-CD 3.49Å; V304-R308 VanDerWaalsContact O-CG 3.24Å; V304-R308 WeakPolarHBondContact O-CG 3.36Å; V304-R308 PolarHBondContact O-N 3.39Å; Q305-R308 WeakPolarHBondContact O-CB 3.44Å; Q305-R308 PolarHBondContact O-N 2.85Å; H306-R308 PolarHBondContact O-N 3.41Å
309	T	75.7	Confident	77.5	Confident	105 Å²	105	72.1 Å²	72.1	64%	0.644	36%	0.358	S	S	*	.	H	α-helix	trans	-82.9	-33.8	-178.4	56	0	0	0	0	112.8	Q305 H306	Q305-T309 PolarHBondContact O-N 3.21Å; Q305-T309 VanDerWaalsContact O-N 3.11Å; Q305-T309 PolarHBondContact O-OG1 2.88Å; H306-T309 PolarHBondContact O-N 2.93Å; H306-T309 PolarHBondContact O-OG1 3.29Å
310	N	73	Confident	78	Confident	36 Å²	36	72.7 Å²	72.7	19%	0.193	37%	0.366	C	S	.	.			trans	-120.3	100.8	169	-170.6	-13.1	0	0	0	110.5	H306 F312 P313 E317	H306-N310 PolarHBondContact O-N 2.7Å; N310-F312 VanDerWaalsContact C-N 3.33Å; N310-F312 WeakPolarHBondContact OD1-CA 3.48Å; N310-F312 PolarHBondContact OD1-N 2.94Å; N310-P313 WeakPolarHBondContact ND2-CA 3.47Å; N310-P313 WeakPolarHBondContact O-CD 3.44Å; N310-P313 VanDerWaalsContact OD1-N 3.14Å; N310-E317 PolarHBondContact ND2-OE1 3.29Å
311	P	69.2	Low	78.6	Confident	69 Å²	69	70.7 Å²	70.7	45%	0.448	35%	0.354	S	S	.	.	S	Bend	trans	-79.6	-8.7	175.3	24.1	-24.4	0	0	0	114.4	R340	P311-R340 PolarHBondContact O-NH2 2.84Å
312	F	73.9	Confident	79.2	Confident	154 Å²	154	65 Å²	65	68%	0.675	33%	0.328	S	S	*	.	S	Bend	trans	-132.9	51.9	-178.9	-67.3	-103.7	0	0	0	113.1	N310 R340	N310-F312 VanDerWaalsContact C-N 3.33Å; N310-F312 WeakPolarHBondContact OD1-CA 3.48Å; N310-F312 PolarHBondContact OD1-N 2.94Å; F312-R340 VanDerWaalsContact CG-NH2 3.35Å
313	P	78	Confident	79.5	Confident	10 Å²	10	67.7 Å²	67.7	7%	0.065	34%	0.336	C	S	.	.			trans	-67.5	139.6	-176	27.4	-33.1	0	0	0	112	F307 N310 E317 L318 F336	F307-P313 HydrophobicContact CD1-CG 4Å; F307-P313 HydrophobicContact CE1-CG 3.68Å; N310-P313 WeakPolarHBondContact ND2-CA 3.47Å; N310-P313 WeakPolarHBondContact O-CD 3.44Å; N310-P313 VanDerWaalsContact OD1-N 3.14Å; P313-E317 HydrophobicContact CB-CB 4.04Å; P313-L318 HydrophobicContact CB-CD2 4.44Å; P313-L318 HydrophobicContact CB-CG 4.33Å; P313-L318 HydrophobicContact CG-CD2 3.95Å; P313-L318 HydrophobicContact CG-CG 4.24Å; P313-F336 HydrophobicContact CG-CD2 4.44Å; P313-F336 HydrophobicContact CG-CE2 4.08Å; P313-F336 HydrophobicContact CG-CZ 4.33Å
314	T	82.2	Confident	80	Confident	68 Å²	68	77 Å²	77	42%	0.417	37%	0.371	S	S	.	.			trans	-65.7	164.5	175.3	61.4	0	0	0	0	111.8	Q316 E317 L318	T314-Q316 PolarHBondContact O-N 3.13Å; T314-E317 WeakPolarHBondContact CB-OE2 3.5Å; T314-E317 WeakPolarHBondContact CG2-OE2 3.4Å; T314-E317 PolarHBondContact N-OE2 3.48Å; T314-E317 PolarHBondContact O-N 3.18Å; T314-E317 WeakPolarHBondContact OG1-CG 3.27Å; T314-E317 PolarHBondContact OG1-N 3.44Å; T314-E317 VanDerWaalsContact OG1-N 3.14Å; T314-E317 PolarHBondContact OG1-OE2 3.16Å; T314-L318 WeakPolarHBondContact O-CG 3.38Å; T314-L318 PolarHBondContact O-N 3.04Å
315	K	81.6	Confident	80.4	Confident	168 Å²	168	76.2 Å²	76.2	73%	0.73	37%	0.366	S	S	*	.	H	α-helix	trans	-59.8	-29.1	173.1	-170.8	-177.1	176.3	-170.1	0	112.2	N319	K315-N319 PolarHBondContact O-N 3.22Å; K315-N319 PolarHBondContact O-ND2 2.9Å
316	Q	84.5	Confident	80.6	Confident	159 Å²	159	74.9 Å²	74.9	74%	0.743	38%	0.378	S	S	*	.	H	α-helix	trans	-72.8	-46.2	176.1	-73.9	170.7	-33.4	0	0	111.4	T314 L318 N319 S320	T314-Q316 PolarHBondContact O-N 3.13Å; Q316-L318 PolarHBondContact O-N 2.92Å; Q316-N319 WeakPolarHBondContact O-CB 3.14Å; Q316-N319 PolarHBondContact O-N 3.17Å; Q316-N319 VanDerWaalsContact O-N 3.12Å; Q316-S320 PolarHBondContact O-N 3.4Å; Q316-S320 PolarHBondContact O-OG 3.45Å
317	E	83.5	Confident	80.9	Confident	61 Å²	61	73.8 Å²	73.8	29%	0.285	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-38.5	175.1	-70.2	165	103.8	0	0	112.7	N310 P313 T314 N319 S320 L321	N310-E317 PolarHBondContact ND2-OE1 3.29Å; P313-E317 HydrophobicContact CB-CB 4.04Å; T314-E317 WeakPolarHBondContact CB-OE2 3.5Å; T314-E317 WeakPolarHBondContact CG2-OE2 3.4Å; T314-E317 PolarHBondContact N-OE2 3.48Å; T314-E317 PolarHBondContact O-N 3.18Å; T314-E317 WeakPolarHBondContact OG1-CG 3.27Å; T314-E317 PolarHBondContact OG1-N 3.44Å; T314-E317 VanDerWaalsContact OG1-N 3.14Å; T314-E317 PolarHBondContact OG1-OE2 3.16Å; E317-N319 VanDerWaalsContact C-N 3.26Å; E317-N319 PolarHBondContact O-N 2.98Å; E317-S320 PolarHBondContact O-N 2.82Å; E317-S320 PolarHBondContact O-OG 3.22Å; E317-L321 WeakPolarHBondContact O-CB 3.26Å; E317-L321 PolarHBondContact O-N 2.91Å
318	L	84.2	Confident	80.9	Confident	18 Å²	18	74.8 Å²	74.8	9%	0.094	39%	0.392	C	S	.	.	H	α-helix	trans	-62.9	-32.6	173.6	-71.3	170.3	0	0	0	112.4	F307 P313 T314 Q316 A322 V332 F336	F307-L318 HydrophobicContact CE1-CD2 3.72Å; F307-L318 HydrophobicContact CZ-CD2 3.75Å; P313-L318 HydrophobicContact CB-CD2 4.44Å; P313-L318 HydrophobicContact CB-CG 4.33Å; P313-L318 HydrophobicContact CG-CD2 3.95Å; P313-L318 HydrophobicContact CG-CG 4.24Å; T314-L318 WeakPolarHBondContact O-CG 3.38Å; T314-L318 PolarHBondContact O-N 3.04Å; Q316-L318 PolarHBondContact O-N 2.92Å; L318-A322 WeakPolarHBondContact O-CB 3.39Å; L318-A322 PolarHBondContact O-N 3.05Å; L318-V332 HydrophobicContact CD2-CG1 3.97Å; L318-F336 HydrophobicContact CD1-CD1 4.3Å; L318-F336 HydrophobicContact CD2-CB 4.35Å; L318-F336 HydrophobicContact CD2-CG 4.45Å
319	N	86.3	Confident	81.8	Confident	50 Å²	50	72.8 Å²	72.8	27%	0.267	39%	0.387	S	S	.	.	H	α-helix	trans	-74.9	-46.2	175.8	-75.1	-17.9	0	0	0	111.7	K315 Q316 E317 L321 A322 E323 K329	K315-N319 PolarHBondContact O-N 3.22Å; K315-N319 PolarHBondContact O-ND2 2.9Å; Q316-N319 WeakPolarHBondContact O-CB 3.14Å; Q316-N319 PolarHBondContact O-N 3.17Å; Q316-N319 VanDerWaalsContact O-N 3.12Å; E317-N319 VanDerWaalsContact C-N 3.26Å; E317-N319 PolarHBondContact O-N 2.98Å; N319-L321 VanDerWaalsContact C-N 3.34Å; N319-L321 PolarHBondContact O-N 3.47Å; N319-A322 WeakPolarHBondContact O-CB 3.21Å; N319-A322 PolarHBondContact O-N 3.16Å; N319-A322 VanDerWaalsContact O-N 3.15Å; N319-E323 WeakPolarHBondContact O-CG 3.43Å; N319-E323 PolarHBondContact O-N 2.74Å; N319-K329 HydrophobicContact CB-CD 4.43Å; N319-K329 WeakPolarHBondContact OD1-CD 3.34Å
320	S	87.4	Confident	81.7	Confident	54 Å²	54	77.9 Å²	77.9	38%	0.378	39%	0.394	S	S	.	.	H	α-helix	trans	-70.1	-30.4	179.8	66.1	0	0	0	0	112.4	Q316 E317 R324	Q316-S320 PolarHBondContact O-N 3.4Å; Q316-S320 PolarHBondContact O-OG 3.45Å; E317-S320 PolarHBondContact O-N 2.82Å; E317-S320 PolarHBondContact O-OG 3.22Å; S320-R324 VanDerWaalsContact O-CB 3.23Å; S320-R324 WeakPolarHBondContact O-CB 3.19Å; S320-R324 WeakPolarHBondContact O-CG 3.48Å; S320-R324 PolarHBondContact O-N 2.78Å
321	L	86.5	Confident	81.7	Confident	2 Å²	2	79.4 Å²	79.4	1%	0.01	41%	0.405	C	S	.	.	H	α-helix	trans	-66.1	-37.7	169.1	-176.7	65.1	0	0	0	112.2	L303 H306 F307 E317 N319 L325 V332	L303-L321 HydrophobicContact CD2-CD2 3.91Å; L303-L321 HydrophobicContact CD2-CG 4.31Å; H306-L321 HydrophobicContact CB-CD1 4.1Å; H306-L321 HydrophobicContact CB-CD2 4.14Å; H306-L321 VanDerWaalsContact CD2-CD2 3.49Å; H306-L321 WeakPolarHBondContact CD2-CD2 3.47Å; F307-L321 HydrophobicContact CE2-CD2 4.36Å; F307-L321 HydrophobicContact CZ-CD2 4.22Å; E317-L321 WeakPolarHBondContact O-CB 3.26Å; E317-L321 PolarHBondContact O-N 2.91Å; N319-L321 VanDerWaalsContact C-N 3.34Å; N319-L321 PolarHBondContact O-N 3.47Å; L321-L325 HydrophobicContact CD1-CD1 3.87Å; L321-L325 HydrophobicContact CD1-CG 4.45Å; L321-L325 HydrophobicContact CG-CD1 4.12Å; L321-L325 WeakPolarHBondContact O-CB 3.12Å; L321-L325 WeakPolarHBondContact O-CG 3.06Å; L321-L325 PolarHBondContact O-N 3.3Å; L321-V332 HydrophobicContact CD2-CG1 4.02Å; L321-V332 HydrophobicContact CG-CG1 4.49Å
322	A	87.3	Confident	82.1	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-66.2	-45.5	175.8	0	0	0	0	0	111.3	L318 N319 L325 G326 I327 K329 V332	L318-A322 WeakPolarHBondContact O-CB 3.39Å; L318-A322 PolarHBondContact O-N 3.05Å; N319-A322 WeakPolarHBondContact O-CB 3.21Å; N319-A322 PolarHBondContact O-N 3.16Å; N319-A322 VanDerWaalsContact O-N 3.15Å; A322-L325 PolarHBondContact O-N 3.33Å; A322-G326 PolarHBondContact O-N 3.26Å; A322-I327 CarbonylContact C-O 3.43Å; A322-I327 WeakPolarHBondContact CB-O 3.32Å; A322-I327 PolarHBondContact O-N 3.38Å; A322-K329 HydrophobicContact CB-CB 4.38Å; A322-K329 HydrophobicContact CB-CG 3.78Å; A322-V332 HydrophobicContact CB-CB 4.33Å; A322-V332 HydrophobicContact CB-CG2 3.68Å
323	E	87	Confident	82.1	Confident	117 Å²	117	73.1 Å²	73.1	55%	0.547	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-47.7	175.5	-72.1	154	-172.3	0	0	111.8	N319 L325 G326 K329	N319-E323 WeakPolarHBondContact O-CG 3.43Å; N319-E323 PolarHBondContact O-N 2.74Å; E323-L325 PolarHBondContact O-N 3.09Å; E323-L325 VanDerWaalsContact O-N 3.1Å; E323-G326 PolarHBondContact O-N 2.62Å; E323-K329 WeakPolarHBondContact OE1-CE 3.32Å; E323-K329 IonicContact OE1-NZ 2.62Å; E323-K329 PolarHBondContact OE1-NZ 3.21Å
324	R	87	Confident	81.8	Confident	196 Å²	196	75.4 Å²	75.4	74%	0.74	39%	0.385	S	S	*	.	H	α-helix	trans	-60.1	-18.5	176.7	-79.6	175.6	63.1	175.5	2.2	115.2	S320	S320-R324 VanDerWaalsContact O-CB 3.23Å; S320-R324 WeakPolarHBondContact O-CB 3.19Å; S320-R324 WeakPolarHBondContact O-CG 3.48Å; S320-R324 PolarHBondContact O-N 2.78Å
325	L	82.3	Confident	81.6	Confident	30 Å²	30	74.8 Å²	74.8	16%	0.157	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-1.8	-177.3	-68.1	175.4	0	0	0	113.6	Q299 V302 L303 L321 A322 E323 I327	Q299-L325 PolarHBondContact NE2-O 2.93Å; V302-L325 HydrophobicContact CB-CD1 4.42Å; V302-L325 HydrophobicContact CB-CD2 3.9Å; V302-L325 HydrophobicContact CG1-CD1 4.25Å; V302-L325 HydrophobicContact CG1-CD2 3.86Å; V302-L325 HydrophobicContact CG2-CD2 4.31Å; L303-L325 HydrophobicContact CD2-CD1 3.92Å; L303-L325 HydrophobicContact CG-CD1 3.93Å; L321-L325 HydrophobicContact CD1-CD1 3.87Å; L321-L325 HydrophobicContact CD1-CG 4.45Å; L321-L325 HydrophobicContact CG-CD1 4.12Å; L321-L325 WeakPolarHBondContact O-CB 3.12Å; L321-L325 WeakPolarHBondContact O-CG 3.06Å; L321-L325 PolarHBondContact O-N 3.3Å; A322-L325 PolarHBondContact O-N 3.33Å; E323-L325 PolarHBondContact O-N 3.09Å; E323-L325 VanDerWaalsContact O-N 3.1Å; L325-I327 HydrophobicContact CB-CB 4.39Å; L325-I327 HydrophobicContact CB-CD1 3.47Å; L325-I327 VanDerWaalsContact CB-CD1 3.47Å; L325-I327 HydrophobicContact CB-CG1 3.65Å; L325-I327 HydrophobicContact CD1-CD1 3.69Å; L325-I327 HydrophobicContact CG-CD1 4.21Å; L325-I327 PolarHBondContact O-N 3.11Å
326	G	82.4	Confident	81.3	Confident	71 Å²	71	68.3 Å²	68.3	73%	0.732	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	24.9	-171.9	0	0	0	0	0	113.5	A322 E323	A322-G326 PolarHBondContact O-N 3.26Å; E323-G326 PolarHBondContact O-N 2.62Å
327	I	82.1	Confident	80.7	Confident	14 Å²	14	66.1 Å²	66.1	7%	0.072	34%	0.337	C	S	.	.			trans	-101.4	136.7	-175.2	-59.9	171.2	0	0	0	109.5	L295 Q299 L303 A322 L325 K329 V331 V332	L295-I327 HydrophobicContact CD2-CD1 3.6Å; L295-I327 HydrophobicContact CD2-CG1 3.74Å; L295-I327 HydrophobicContact CD2-CG2 4.05Å; Q299-I327 HydrophobicContact CB-CD1 4.07Å; Q299-I327 HydrophobicContact CG-CD1 4.18Å; Q299-I327 HydrophobicContact CG-CG1 4.39Å; L303-I327 HydrophobicContact CD1-CD1 3.97Å; L303-I327 HydrophobicContact CD2-CD1 4.5Å; L303-I327 HydrophobicContact CG-CD1 4.38Å; A322-I327 CarbonylContact C-O 3.43Å; A322-I327 WeakPolarHBondContact CB-O 3.32Å; A322-I327 PolarHBondContact O-N 3.38Å; L325-I327 HydrophobicContact CB-CB 4.39Å; L325-I327 HydrophobicContact CB-CD1 3.47Å; L325-I327 VanDerWaalsContact CB-CD1 3.47Å; L325-I327 HydrophobicContact CB-CG1 3.65Å; L325-I327 HydrophobicContact CD1-CD1 3.69Å; L325-I327 HydrophobicContact CG-CD1 4.21Å; L325-I327 PolarHBondContact O-N 3.11Å; I327-K329 PolarHBondContact O-N 3.23Å; I327-V331 HydrophobicContact CG2-CB 3.65Å; I327-V331 HydrophobicContact CG2-CG1 3.86Å; I327-V331 HydrophobicContact CG2-CG2 4.44Å; I327-V332 HydrophobicContact CB-CG2 4Å; I327-V332 HydrophobicContact CD1-CG2 4.42Å; I327-V332 HydrophobicContact CG2-CG2 3.62Å
328	G	78.4	Confident	79.9	Confident	48 Å²	48	66.7 Å²	66.7	50%	0.495	34%	0.342	S	S	.	.			trans	-60.5	127.9	172.6	0	0	0	0	0	112.2	R330 V331	G328-R330 PolarHBondContact O-N 3.01Å; G328-V331 WeakPolarHBondContact O-CA 3.47Å; G328-V331 WeakPolarHBondContact O-CB 3.44Å; G328-V331 PolarHBondContact O-N 3.35Å
329	K	85	Confident	79	Confident	99 Å²	99	67.9 Å²	67.9	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-46.8	-37	-174.3	-68	169.6	177.9	177.8	0	114.8	N319 A322 E323 I327 V331 V332 Q333	N319-K329 HydrophobicContact CB-CD 4.43Å; N319-K329 WeakPolarHBondContact OD1-CD 3.34Å; A322-K329 HydrophobicContact CB-CB 4.38Å; A322-K329 HydrophobicContact CB-CG 3.78Å; E323-K329 WeakPolarHBondContact OE1-CE 3.32Å; E323-K329 IonicContact OE1-NZ 2.62Å; E323-K329 PolarHBondContact OE1-NZ 3.21Å; I327-K329 PolarHBondContact O-N 3.23Å; K329-V331 VanDerWaalsContact C-N 3.35Å; K329-V331 PolarHBondContact O-N 2.93Å; K329-V332 PolarHBondContact O-N 3.17Å; K329-Q333 PolarHBondContact O-N 2.99Å; K329-Q333 VanDerWaalsContact O-N 3.14Å
330	R	73.5	Confident	78	Confident	211 Å²	211	69 Å²	69	80%	0.796	35%	0.352	S	S	*	.	H	α-helix	trans	-62.6	-34.1	174.6	-77.2	-169.6	-96.1	-146.3	-3.8	113.7	G328 V334	G328-R330 PolarHBondContact O-N 3.01Å; R330-V334 WeakPolarHBondContact O-CB 3.4Å; R330-V334 VanDerWaalsContact O-CG2 3.23Å; R330-V334 WeakPolarHBondContact O-CG2 3.32Å; R330-V334 PolarHBondContact O-N 3.3Å
331	V	72.9	Confident	76.5	Confident	68 Å²	68	67.9 Å²	67.9	41%	0.412	35%	0.346	S	S	.	.	H	α-helix	trans	-68.5	-47.3	179.4	-179.9	0	0	0	0	110.4	L295 I327 G328 K329 Q333 V334 W335	L295-V331 HydrophobicContact CD1-CG1 4.21Å; L295-V331 HydrophobicContact CD2-CG1 4.33Å; L295-V331 HydrophobicContact CG-CG1 4.43Å; I327-V331 HydrophobicContact CG2-CB 3.65Å; I327-V331 HydrophobicContact CG2-CG1 3.86Å; I327-V331 HydrophobicContact CG2-CG2 4.44Å; G328-V331 WeakPolarHBondContact O-CA 3.47Å; G328-V331 WeakPolarHBondContact O-CB 3.44Å; G328-V331 PolarHBondContact O-N 3.35Å; K329-V331 VanDerWaalsContact C-N 3.35Å; K329-V331 PolarHBondContact O-N 2.93Å; V331-Q333 VanDerWaalsContact C-N 3.34Å; V331-Q333 PolarHBondContact O-N 3.34Å; V331-V334 PolarHBondContact O-N 3.21Å; V331-W335 WeakPolarHBondContact O-CB 3.48Å; V331-W335 PolarHBondContact O-N 2.92Å
332	V	77.9	Confident	75	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.9	-43.6	176.3	-176.5	0	0	0	0	111.1	L303 F307 L318 L321 A322 I327 K329 V334 W335 F336	L303-V332 HydrophobicContact CD2-CG1 4.01Å; L303-V332 HydrophobicContact CD2-CG2 4.21Å; F307-V332 HydrophobicContact CZ-CG1 4.05Å; L318-V332 HydrophobicContact CD2-CG1 3.97Å; L321-V332 HydrophobicContact CD2-CG1 4.02Å; L321-V332 HydrophobicContact CG-CG1 4.49Å; A322-V332 HydrophobicContact CB-CB 4.33Å; A322-V332 HydrophobicContact CB-CG2 3.68Å; I327-V332 HydrophobicContact CB-CG2 4Å; I327-V332 HydrophobicContact CD1-CG2 4.42Å; I327-V332 HydrophobicContact CG2-CG2 3.62Å; K329-V332 PolarHBondContact O-N 3.17Å; V332-V334 PolarHBondContact O-N 2.89Å; V332-W335 WeakPolarHBondContact O-CB 3.48Å; V332-W335 PolarHBondContact O-N 3.35Å; V332-F336 PolarHBondContact O-N 3.22Å
333	Q	75.1	Confident	73.1	Confident	92 Å²	92	80.8 Å²	80.8	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-42.4	176.6	-167	-176	20	0	0	112.7	K329 V331 Q337	K329-Q333 PolarHBondContact O-N 2.99Å; K329-Q333 VanDerWaalsContact O-N 3.14Å; V331-Q333 VanDerWaalsContact C-N 3.34Å; V331-Q333 PolarHBondContact O-N 3.34Å; Q333-Q337 WeakPolarHBondContact O-CG 3.29Å; Q333-Q337 PolarHBondContact O-N 2.84Å
334	V	70.9	Confident	71	Confident	57 Å²	57	83.7 Å²	83.7	35%	0.345	41%	0.41	S	S	.	.	H	α-helix	trans	-69.1	-34.2	176	166.3	0	0	0	0	111.6	R330 V331 V332 N338	R330-V334 WeakPolarHBondContact O-CB 3.4Å; R330-V334 VanDerWaalsContact O-CG2 3.23Å; R330-V334 WeakPolarHBondContact O-CG2 3.32Å; R330-V334 PolarHBondContact O-N 3.3Å; V331-V334 PolarHBondContact O-N 3.21Å; V332-V334 PolarHBondContact O-N 2.89Å; V334-N338 VanDerWaalsContact CG1-ND2 3.33Å; V334-N338 WeakPolarHBondContact CG1-ND2 3.48Å; V334-N338 VanDerWaalsContact O-CB 3.3Å; V334-N338 WeakPolarHBondContact O-CB 3.27Å; V334-N338 PolarHBondContact O-N 2.89Å; V334-N338 PolarHBondContact O-ND2 2.65Å
335	W	77.3	Confident	68.9	Low	56 Å²	56	81.4 Å²	81.4	21%	0.212	40%	0.402	C	S	.	.	H	α-helix	trans	-62.6	-50.7	174.1	-160.8	108.7	0	0	0	110.6	L303 V304 F307 V331 V332 Q337 N338 S339	L303-W335 HydrophobicContact CB-CZ2 4.34Å; L303-W335 HydrophobicContact CD1-CG 4.33Å; V304-W335 HydrophobicContact CG2-CH2 3.78Å; V304-W335 HydrophobicContact CG2-CZ2 3.66Å; F307-W335 HydrophobicContact CB-CZ3 4.12Å; F307-W335 HydrophobicContact CD2-CD2 4.39Å; F307-W335 AromaticContact CD2-CE3 3.36Å; F307-W335 HydrophobicContact CD2-CE3 3.36Å; F307-W335 HydrophobicContact CD2-CH2 4.11Å; F307-W335 AromaticContact CD2-CZ3 3.2Å; F307-W335 HydrophobicContact CD2-CZ3 3.2Å; F307-W335 HydrophobicContact CE2-CD2 4.24Å; F307-W335 AromaticContact CE2-CE3 3.45Å; F307-W335 HydrophobicContact CE2-CE3 3.45Å; F307-W335 VanDerWaalsContact CE2-CE3 3.45Å; F307-W335 AromaticContact CE2-CZ3 3.83Å; F307-W335 HydrophobicContact CE2-CZ3 3.83Å; F307-W335 HydrophobicContact CG-CE3 4.31Å; F307-W335 AromaticContact CG-CZ3 3.91Å; F307-W335 HydrophobicContact CG-CZ3 3.91Å; F307-W335 HydrophobicContact CZ-CE3 4.44Å; V331-W335 WeakPolarHBondContact O-CB 3.48Å; V331-W335 PolarHBondContact O-N 2.92Å; V332-W335 WeakPolarHBondContact O-CB 3.48Å; V332-W335 PolarHBondContact O-N 3.35Å; W335-Q337 PolarHBondContact O-N 3.44Å; W335-N338 PolarHBondContact O-N 3.49Å; W335-S339 VanDerWaalsContact CE3-OG 3.24Å; W335-S339 WeakPolarHBondContact CZ3-OG 3.15Å; W335-S339 PolarHBondContact O-N 3.43Å; W335-S339 PolarHBondContact O-OG 2.89Å
336	F	75.1	Confident	66.9	Low	32 Å²	32	83.8 Å²	83.8	14%	0.14	42%	0.421	C	S	.	.	H	α-helix	trans	-56.2	-47.6	175.6	178.7	-123.4	0	0	0	112.6	F307 P313 L318 V332 N338 S339 R340	F307-F336 AromaticContact CD1-CD2 3.66Å; F307-F336 HydrophobicContact CD1-CD2 3.66Å; F307-F336 HydrophobicContact CD1-CE2 4.23Å; F307-F336 HydrophobicContact CE1-CB 3.81Å; F307-F336 AromaticContact CE1-CD2 3.39Å; F307-F336 HydrophobicContact CE1-CD2 3.39Å; F307-F336 HydrophobicContact CE1-CE2 4.18Å; F307-F336 AromaticContact CE1-CG 3.86Å; F307-F336 HydrophobicContact CE1-CG 3.86Å; F307-F336 HydrophobicContact CZ-CB 3.77Å; F307-F336 HydrophobicContact CZ-CD2 4.22Å; F307-F336 HydrophobicContact CZ-CG 4.34Å; P313-F336 HydrophobicContact CG-CD2 4.44Å; P313-F336 HydrophobicContact CG-CE2 4.08Å; P313-F336 HydrophobicContact CG-CZ 4.33Å; L318-F336 HydrophobicContact CD1-CD1 4.3Å; L318-F336 HydrophobicContact CD2-CB 4.35Å; L318-F336 HydrophobicContact CD2-CG 4.45Å; V332-F336 PolarHBondContact O-N 3.22Å; F336-N338 PolarHBondContact O-N 2.87Å; F336-S339 PolarHBondContact O-N 3.48Å; F336-R340 HydrophobicContact CE2-CG 4.4Å; F336-R340 VanDerWaalsContact CZ-NE 3.29Å; F336-R340 PolarHBondContact O-N 2.99Å; F336-R340 VanDerWaalsContact O-N 3.07Å
337	Q	72.2	Confident	64.8	Low	112 Å²	112	87 Å²	87	52%	0.523	42%	0.416	S	S	.	.	H	α-helix	trans	-62.2	-42	176.7	-72.8	179.1	12.8	0	0	112.4	Q333 W335 A341	Q333-Q337 WeakPolarHBondContact O-CG 3.29Å; Q333-Q337 PolarHBondContact O-N 2.84Å; W335-Q337 PolarHBondContact O-N 3.44Å; Q337-A341 VanDerWaalsContact O-CB 3.25Å; Q337-A341 WeakPolarHBondContact O-CB 3.35Å; Q337-A341 PolarHBondContact O-N 2.85Å
338	N	68	Low	62.7	Low	73 Å²	73	96 Å²	96	39%	0.39	45%	0.449	S	S	.	.	H	α-helix	trans	-68.3	-39	178.9	-84.1	-47.2	0	0	0	112.7	V334 W335 F336 A341 K342	V334-N338 VanDerWaalsContact CG1-ND2 3.33Å; V334-N338 WeakPolarHBondContact CG1-ND2 3.48Å; V334-N338 VanDerWaalsContact O-CB 3.3Å; V334-N338 WeakPolarHBondContact O-CB 3.27Å; V334-N338 PolarHBondContact O-N 2.89Å; V334-N338 PolarHBondContact O-ND2 2.65Å; W335-N338 PolarHBondContact O-N 3.49Å; F336-N338 PolarHBondContact O-N 2.87Å; N338-A341 CarbonylContact O-C 3.52Å; N338-A341 PolarHBondContact O-N 3.26Å; N338-K342 PolarHBondContact O-N 3.11Å
339	S	65.5	Low	60.6	Low	43 Å²	43	100.4 Å²	100.4	30%	0.301	46%	0.461	S	S	.	.	H	α-helix	trans	-63	-48.4	175.3	-69.5	0	0	0	0	111.1	W335 F336 A341 K342 E343	W335-S339 VanDerWaalsContact CE3-OG 3.24Å; W335-S339 WeakPolarHBondContact CZ3-OG 3.15Å; W335-S339 PolarHBondContact O-N 3.43Å; W335-S339 PolarHBondContact O-OG 2.89Å; F336-S339 PolarHBondContact O-N 3.48Å; S339-A341 VanDerWaalsContact C-N 3.26Å; S339-A341 PolarHBondContact O-N 3.31Å; S339-K342 WeakPolarHBondContact O-CB 3.45Å; S339-K342 PolarHBondContact O-N 3.19Å; S339-E343 PolarHBondContact O-N 3.44Å; S339-E343 VanDerWaalsContact O-N 3.07Å
340	R	64.3	Low	58.6	Low	73 Å²	73	100.9 Å²	100.9	28%	0.275	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-32.1	171.2	-74.8	-175.5	162.7	-150.1	-9	113.1	P311 F312 F336 R344	P311-R340 PolarHBondContact O-NH2 2.84Å; F312-R340 VanDerWaalsContact CG-NH2 3.35Å; F336-R340 HydrophobicContact CE2-CG 4.4Å; F336-R340 VanDerWaalsContact CZ-NE 3.29Å; F336-R340 PolarHBondContact O-N 2.99Å; F336-R340 VanDerWaalsContact O-N 3.07Å; R340-R344 WeakPolarHBondContact O-CB 3.37Å; R340-R344 VanDerWaalsContact O-CG 3.31Å; R340-R344 WeakPolarHBondContact O-CG 3.39Å; R340-R344 PolarHBondContact O-N 3.46Å
341	A	55.5	Low	56.9	Low	32 Å²	32	94.9 Å²	94.9	26%	0.264	47%	0.468	S	S	.	.	H	α-helix	trans	-76.9	-18.6	175.1	0	0	0	0	0	114.2	Q337 N338 S339 R345	Q337-A341 VanDerWaalsContact O-CB 3.25Å; Q337-A341 WeakPolarHBondContact O-CB 3.35Å; Q337-A341 PolarHBondContact O-N 2.85Å; N338-A341 CarbonylContact O-C 3.52Å; N338-A341 PolarHBondContact O-N 3.26Å; S339-A341 VanDerWaalsContact C-N 3.26Å; S339-A341 PolarHBondContact O-N 3.31Å; A341-R345 WeakPolarHBondContact O-CB 3.23Å; A341-R345 WeakPolarHBondContact O-CG 3.36Å; A341-R345 PolarHBondContact O-N 3.39Å; A341-R345 PolarHBondContact O-NE 2.98Å
342	K	56.4	Low	55	Low	153 Å²	153	95 Å²	95	67%	0.665	48%	0.483	S	S	*	.	H	α-helix	trans	-77.5	-43.7	170.5	-169.7	-179.8	-179.7	-175.9	0	109.7	N338 S339 R345 S346	N338-K342 PolarHBondContact O-N 3.11Å; S339-K342 WeakPolarHBondContact O-CB 3.45Å; S339-K342 PolarHBondContact O-N 3.19Å; K342-R345 WeakPolarHBondContact O-CB 3.15Å; K342-R345 PolarHBondContact O-N 2.82Å; K342-R345 VanDerWaalsContact O-N 3.17Å; K342-S346 PolarHBondContact O-N 3.17Å
343	E	47	Very low	52.8	Low	119 Å²	119	104.4 Å²	104.4	56%	0.556	52%	0.524	S	S	*	.	H	α-helix	trans	-60	-52.9	175	-162	136.2	-113.9	0	0	112.1	S339 R345 S346 H347	S339-E343 PolarHBondContact O-N 3.44Å; S339-E343 VanDerWaalsContact O-N 3.07Å; E343-R345 PolarHBondContact O-N 3.05Å; E343-R345 VanDerWaalsContact O-N 3.12Å; E343-S346 WeakPolarHBondContact O-CA 3.27Å; E343-S346 WeakPolarHBondContact O-CB 3.26Å; E343-S346 PolarHBondContact O-N 2.83Å; E343-H347 PolarHBondContact O-CD2 2.79Å; E343-H347 VanDerWaalsContact O-CD2 3.25Å; E343-H347 PolarHBondContact O-N 2.98Å
344	R	41.3	Very low	50.9	Low	179 Å²	179	105.7 Å²	105.7	68%	0.675	54%	0.54	S	S	*	.	H	α-helix	trans	-58.5	-26.1	174	-70.4	176.1	-175.7	-166.9	0.4	113.9	R340 R348	R340-R344 WeakPolarHBondContact O-CB 3.37Å; R340-R344 VanDerWaalsContact O-CG 3.31Å; R340-R344 WeakPolarHBondContact O-CG 3.39Å; R340-R344 PolarHBondContact O-N 3.46Å; R344-R348 PolarHBondContact O-N 3.26Å
345	R	43	Very low	49	Very low	148 Å²	148	107.7 Å²	107.7	56%	0.558	56%	0.563	S	S	*	*	H	α-helix	trans	-77.5	-32.7	172.7	-87.2	-178.3	-94.3	-167.8	-8.2	112.5	A341 K342 E343 R348 N349	A341-R345 WeakPolarHBondContact O-CB 3.23Å; A341-R345 WeakPolarHBondContact O-CG 3.36Å; A341-R345 PolarHBondContact O-N 3.39Å; A341-R345 PolarHBondContact O-NE 2.98Å; K342-R345 WeakPolarHBondContact O-CB 3.15Å; K342-R345 PolarHBondContact O-N 2.82Å; K342-R345 VanDerWaalsContact O-N 3.17Å; E343-R345 PolarHBondContact O-N 3.05Å; E343-R345 VanDerWaalsContact O-N 3.12Å; R345-R348 PolarHBondContact O-N 3.4Å; R345-N349 WeakPolarHBondContact O-CB 3.35Å; R345-N349 PolarHBondContact O-N 2.71Å; R345-N349 VanDerWaalsContact O-N 3.08Å; R345-N349 PolarHBondContact O-ND2 3.07Å
346	S	41.8	Very low	47	Very low	80 Å²	80	113.1 Å²	113.1	56%	0.559	60%	0.596	S	S	*	*	H	α-helix	trans	-57.2	-52.7	169.7	-156.4	0	0	0	0	110.5	K342 E343 R348 N349	K342-S346 PolarHBondContact O-N 3.17Å; E343-S346 WeakPolarHBondContact O-CA 3.27Å; E343-S346 WeakPolarHBondContact O-CB 3.26Å; E343-S346 PolarHBondContact O-N 2.83Å; S346-R348 VanDerWaalsContact C-N 3.32Å; S346-R348 PolarHBondContact O-N 2.91Å; S346-N349 PolarHBondContact O-N 3.02Å
347	H	38.5	Very low	44.9	Very low	137 Å²	137	115.7 Å²	115.7	63%	0.634	63%	0.632	S	S	*	*	H	α-helix	trans	-58.6	-37	177.9	-68.5	-78.8	0	0	0	113.9	E343	E343-H347 PolarHBondContact O-CD2 2.79Å; E343-H347 VanDerWaalsContact O-CD2 3.25Å; E343-H347 PolarHBondContact O-N 2.98Å
348	R	36.3	Very low	42.9	Very low	203 Å²	203	113.8 Å²	113.8	77%	0.766	64%	0.642	S	S	*	*	H	α-helix	trans	-75.4	-31.6	178.8	-76.1	-172.7	177.7	-171.8	-1.4	114.1	R344 R345 S346 V350 A351	R344-R348 PolarHBondContact O-N 3.26Å; R345-R348 PolarHBondContact O-N 3.4Å; S346-R348 VanDerWaalsContact C-N 3.32Å; S346-R348 PolarHBondContact O-N 2.91Å; R348-V350 PolarHBondContact O-N 3.26Å; R348-A351 PolarHBondContact O-N 3.17Å
349	N	35.8	Very low	41.2	Very low	141 Å²	141	119.2 Å²	119.2	75%	0.754	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-5.8	-176.1	-73.1	-12.2	0	0	0	114	R345 S346	R345-N349 WeakPolarHBondContact O-CB 3.35Å; R345-N349 PolarHBondContact O-N 2.71Å; R345-N349 VanDerWaalsContact O-N 3.08Å; R345-N349 PolarHBondContact O-ND2 3.07Å; S346-N349 PolarHBondContact O-N 3.02Å
350	V	42.4	Very low	39.6	Very low	110 Å²	110	121.8 Å²	121.8	67%	0.667	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-20.9	172.5	-177.5	0	0	0	0	111.8	R348 G352	R348-V350 PolarHBondContact O-N 3.26Å; V350-G352 PolarHBondContact O-N 3.48Å; V350-G352 VanDerWaalsContact O-N 3.1Å
351	A	37.1	Very low	38.5	Very low	84 Å²	84	122.2 Å²	122.2	69%	0.694	71%	0.708	S	S	*	*			trans	-86.9	74.3	-176.1	0	0	0	0	0	112.5	R348 F353	R348-A351 PolarHBondContact O-N 3.17Å; A351-F353 PolarHBondContact O-N 3.1Å
352	G	32.8	Very low	37.7	Very low	70 Å²	70	126.4 Å²	126.4	72%	0.722	73%	0.726	S	S	*	*			trans	-93.6	65.9	-177.9	0	0	0	0	0	115.5	V350	V350-G352 PolarHBondContact O-N 3.48Å; V350-G352 VanDerWaalsContact O-N 3.1Å
353	F	31.6	Very low	37	Very low	198 Å²	198	126 Å²	126	87%	0.868	73%	0.73	S	S	*	*			trans	-128.6	149	169.5	-94.2	-99.3	0	0	0	111.8	A351	A351-F353 PolarHBondContact O-N 3.1Å
354	P	35.4	Very low	36.6	Very low	119 Å²	119	122.5 Å²	122.5	77%	0.773	73%	0.726	S	S	*	*			trans	-75	152	-170.6	30.9	-35.8	0	0	0	113.1	N356	P354-N356 PolarHBondContact O-N 2.88Å
355	A	31.1	Very low	36.5	Very low	100 Å²	100	118.4 Å²	118.4	83%	0.826	72%	0.718	S	S	*	*			trans	-77.6	116.2	179.7	0	0	0	0	0	112
356	N	35.1	Very low	36.4	Very low	169 Å²	169	114.2 Å²	114.2	90%	0.904	72%	0.715	S	S	*	*			trans	-139.1	157.7	150.4	-94.8	-32.2	0	0	0	108.3	P354	P354-N356 PolarHBondContact O-N 2.88Å
357	G	31	Very low	36.2	Very low	86 Å²	86	117.1 Å²	117.1	89%	0.887	71%	0.713	S	S	*	*			trans	-70.5	145.8	-163.1	0	0	0	0	0	115.5
358	G	31	Very low	36.5	Very low	72 Å²	72	116.7 Å²	116.7	74%	0.742	71%	0.713	S	S	*	*			trans	178.8	115.2	173.5	0	0	0	0	0	111.2
359	H	31.5	Very low	36.7	Very low	187 Å²	187	116 Å²	116	87%	0.866	71%	0.712	S	S	*	*			trans	-72.7	134.9	-171.9	-80.5	77.6	0	0	0	113.3	A361	H359-A361 VanDerWaalsContact C-N 3.28Å; H359-A361 PolarHBondContact O-N 3.4Å
360	A	33.3	Very low	36.8	Very low	98 Å²	98	114.9 Å²	114.9	81%	0.81	70%	0.697	S	S	*	*	S	Bend	trans	54	-29.2	147.9	0	0	0	0	0	122.5
361	A	39.8	Very low	37.4	Very low	82 Å²	82	112 Å²	112	68%	0.678	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-21.6	-162.6	0	0	0	0	0	116.1	H359 L363	H359-A361 VanDerWaalsContact C-N 3.28Å; H359-A361 PolarHBondContact O-N 3.4Å; A361-L363 PolarHBondContact O-N 3.38Å
362	N	39.7	Very low	38	Very low	119 Å²	119	110.7 Å²	110.7	64%	0.636	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	6.7	-163.4	-84.8	-38.6	0	0	0	116.9	A366	N362-A366 WeakPolarHBondContact O-CB 3.24Å; N362-A366 PolarHBondContact O-N 2.92Å
363	L	41.1	Very low	39	Very low	145 Å²	145	112.6 Å²	112.6	76%	0.759	66%	0.661	S	S	*	*	H	α-helix	trans	-67.8	-38	-176.9	-74.8	171	0	0	0	113.6	A361 W367	A361-L363 PolarHBondContact O-N 3.38Å; L363-W367 PolarHBondContact O-N 2.89Å
364	G	38.9	Very low	40.1	Very low	45 Å²	45	106.2 Å²	106.2	46%	0.464	63%	0.634	S	S	.	*	H	α-helix	trans	-65.6	-45.8	178.4	0	0	0	0	0	112.8	A366 W367 M368	G364-A366 VanDerWaalsContact C-N 3.34Å; G364-A366 PolarHBondContact O-N 2.84Å; G364-W367 WeakPolarHBondContact O-CB 3.49Å; G364-W367 PolarHBondContact O-N 3.19Å; G364-W367 VanDerWaalsContact O-N 3.15Å; G364-M368 PolarHBondContact O-N 3.06Å; G364-M368 VanDerWaalsContact O-N 3.08Å
365	N	39.7	Very low	41.2	Very low	94 Å²	94	103.5 Å²	103.5	50%	0.503	62%	0.622	S	S	.	*	H	α-helix	trans	-63.4	-40.3	178.5	-65.4	-12.2	0	0	0	111.5	W367 M368 Y369	N365-W367 VanDerWaalsContact C-N 3.29Å; N365-W367 PolarHBondContact O-N 2.98Å; N365-M368 PolarHBondContact O-N 3.19Å; N365-Y369 WeakPolarHBondContact O-CD2 3.23Å; N365-Y369 PolarHBondContact O-N 3.48Å
366	A	40.4	Very low	42.6	Very low	60 Å²	60	102.1 Å²	102.1	50%	0.496	60%	0.603	S	S	.	*	H	α-helix	trans	-61.8	-35.1	175.3	0	0	0	0	0	112.7	N362 G364 W370	N362-A366 WeakPolarHBondContact O-CB 3.24Å; N362-A366 PolarHBondContact O-N 2.92Å; G364-A366 VanDerWaalsContact C-N 3.34Å; G364-A366 PolarHBondContact O-N 2.84Å; A366-W370 WeakPolarHBondContact O-CB 3.27Å; A366-W370 PolarHBondContact O-N 3.44Å; A366-W370 VanDerWaalsContact O-N 3.09Å
367	W	38.5	Very low	43.9	Very low	141 Å²	141	98.3 Å²	98.3	53%	0.534	59%	0.586	S	S	.	*	H	α-helix	trans	-69.4	-44.2	175.7	-174.2	77.9	0	0	0	112.2	L363 G364 N365 W370 N371	L363-W367 PolarHBondContact O-N 2.89Å; G364-W367 WeakPolarHBondContact O-CB 3.49Å; G364-W367 PolarHBondContact O-N 3.19Å; G364-W367 VanDerWaalsContact O-N 3.15Å; N365-W367 VanDerWaalsContact C-N 3.29Å; N365-W367 PolarHBondContact O-N 2.98Å; W367-W370 PolarHBondContact O-N 3.27Å; W367-N371 VanDerWaalsContact CE2-ND2 3.28Å; W367-N371 VanDerWaalsContact CH2-ND2 3.26Å; W367-N371 WeakPolarHBondContact CH2-ND2 3.27Å; W367-N371 WeakPolarHBondContact CZ2-ND2 3.49Å; W367-N371 WeakPolarHBondContact CZ3-ND2 3.48Å; W367-N371 PolarHBondContact O-N 3.18Å
368	M	43.8	Very low	45.4	Very low	127 Å²	127	97.1 Å²	97.1	63%	0.626	57%	0.568	S	S	*	*	H	α-helix	trans	-60.9	-46.3	175.7	-71.9	-173.5	170.8	0	0	112.4	G364 N365 W370 N371 A372	G364-M368 PolarHBondContact O-N 3.06Å; G364-M368 VanDerWaalsContact O-N 3.08Å; N365-M368 PolarHBondContact O-N 3.19Å; M368-W370 VanDerWaalsContact C-N 3.31Å; M368-W370 PolarHBondContact O-N 3.19Å; M368-N371 PolarHBondContact O-N 2.96Å; M368-A372 WeakPolarHBondContact O-CB 3.47Å; M368-A372 PolarHBondContact O-N 3.47Å
369	Y	41.5	Very low	47	Very low	189 Å²	189	96.6 Å²	96.6	74%	0.741	56%	0.556	S	S	*	*	H	α-helix	trans	-63.7	-34.1	176	-90.4	-80.7	0	0	0	112.9	N365 N373	N365-Y369 WeakPolarHBondContact O-CD2 3.23Å; N365-Y369 PolarHBondContact O-N 3.48Å; Y369-N373 WeakPolarHBondContact O-CB 3.45Å; Y369-N373 PolarHBondContact O-N 3.49Å; Y369-N373 VanDerWaalsContact O-N 3.11Å
370	W	36.3	Very low	48.5	Very low	117 Å²	117	93.6 Å²	93.6	44%	0.443	54%	0.544	S	S	.	.	H	α-helix	trans	-68.9	-44.9	175.7	-174.1	71.5	0	0	0	112.1	A366 W367 M368 A372 N373 Q374	A366-W370 WeakPolarHBondContact O-CB 3.27Å; A366-W370 PolarHBondContact O-N 3.44Å; A366-W370 VanDerWaalsContact O-N 3.09Å; W367-W370 PolarHBondContact O-N 3.27Å; M368-W370 VanDerWaalsContact C-N 3.31Å; M368-W370 PolarHBondContact O-N 3.19Å; W370-A372 PolarHBondContact O-N 3.13Å; W370-N373 PolarHBondContact O-N 3.06Å; W370-Q374 HydrophobicContact CD2-CG 4.46Å; W370-Q374 HydrophobicContact CZ2-CG 4.46Å; W370-Q374 PolarHBondContact O-N 3.41Å
371	N	55	Low	49.9	Very low	49 Å²	49	91.3 Å²	91.3	26%	0.262	53%	0.525	S	S	.	.	H	α-helix	trans	-60.8	-44.7	175.3	-70.4	-9.4	0	0	0	111.7	W367 M368 N373 Q374 A375	W367-N371 VanDerWaalsContact CE2-ND2 3.28Å; W367-N371 VanDerWaalsContact CH2-ND2 3.26Å; W367-N371 WeakPolarHBondContact CH2-ND2 3.27Å; W367-N371 WeakPolarHBondContact CZ2-ND2 3.49Å; W367-N371 WeakPolarHBondContact CZ3-ND2 3.48Å; W367-N371 PolarHBondContact O-N 3.18Å; M368-N371 PolarHBondContact O-N 2.96Å; N371-N373 VanDerWaalsContact C-N 3.33Å; N371-N373 PolarHBondContact O-N 3.26Å; N371-Q374 PolarHBondContact O-N 2.85Å; N371-A375 PolarHBondContact O-N 3.35Å
372	A	51.1	Low	51.3	Low	57 Å²	57	89.9 Å²	89.9	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-59.4	-43.1	176.7	0	0	0	0	0	112	M368 W370 A375 T376	M368-A372 WeakPolarHBondContact O-CB 3.47Å; M368-A372 PolarHBondContact O-N 3.47Å; W370-A372 PolarHBondContact O-N 3.13Å; A372-A375 PolarHBondContact O-N 3.5Å; A372-T376 PolarHBondContact O-N 2.85Å; A372-T376 VanDerWaalsContact O-N 3.08Å; A372-T376 PolarHBondContact O-OG1 3.48Å
373	N	53	Low	52.6	Low	110 Å²	110	86.5 Å²	86.5	59%	0.588	50%	0.502	S	S	*	.	H	α-helix	trans	-77	-22.9	-179.5	-146.1	17.7	0	0	0	113.2	Y369 W370 N371 T376 T377	Y369-N373 WeakPolarHBondContact O-CB 3.45Å; Y369-N373 PolarHBondContact O-N 3.49Å; Y369-N373 VanDerWaalsContact O-N 3.11Å; W370-N373 PolarHBondContact O-N 3.06Å; N371-N373 VanDerWaalsContact C-N 3.33Å; N371-N373 PolarHBondContact O-N 3.26Å; N373-T376 WeakPolarHBondContact CA-OG1 3.13Å; N373-T376 PolarHBondContact O-OG1 2.87Å; N373-T376 PolarHBondContact OD1-OG1 3.34Å; N373-T377 WeakPolarHBondContact O-CB 3.48Å; N373-T377 PolarHBondContact O-N 3.21Å; N373-T377 PolarHBondContact O-OG1 2.94Å
374	Q	55.6	Low	53.7	Low	64 Å²	64	86 Å²	86	30%	0.299	50%	0.498	S	S	.	.	H	α-helix	trans	-70.9	-41.6	165.2	-77.1	-159.7	-34.2	0	0	111.6	W370 N371 T377 A378	W370-Q374 HydrophobicContact CD2-CG 4.46Å; W370-Q374 HydrophobicContact CZ2-CG 4.46Å; W370-Q374 PolarHBondContact O-N 3.41Å; N371-Q374 PolarHBondContact O-N 2.85Å; Q374-T377 PolarHBondContact O-N 3.1Å; Q374-A378 WeakPolarHBondContact O-CB 3.49Å; Q374-A378 PolarHBondContact O-N 3Å
375	A	57	Low	55.1	Low	63 Å²	63	89.5 Å²	89.5	52%	0.521	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-43.5	178.9	0	0	0	0	0	112.2	N371 A372 A378 A379	N371-A375 PolarHBondContact O-N 3.35Å; A372-A375 PolarHBondContact O-N 3.5Å; A375-A378 PolarHBondContact O-N 3.44Å; A375-A379 WeakPolarHBondContact O-CB 3.3Å; A375-A379 PolarHBondContact O-N 3.32Å
376	T	61.7	Low	56.2	Low	71 Å²	71	92 Å²	92	44%	0.436	51%	0.514	S	S	.	.	H	α-helix	trans	-62.9	-44.9	173.1	53.6	0	0	0	0	111.8	A372 N373 A378 A379 M380	A372-T376 PolarHBondContact O-N 2.85Å; A372-T376 VanDerWaalsContact O-N 3.08Å; A372-T376 PolarHBondContact O-OG1 3.48Å; N373-T376 WeakPolarHBondContact CA-OG1 3.13Å; N373-T376 PolarHBondContact O-OG1 2.87Å; N373-T376 PolarHBondContact OD1-OG1 3.34Å; T376-A378 VanDerWaalsContact C-N 3.34Å; T376-A378 PolarHBondContact O-N 2.91Å; T376-A379 PolarHBondContact O-N 3.22Å; T376-M380 VanDerWaalsContact O-CG 3.3Å; T376-M380 WeakPolarHBondContact O-CG 3.21Å; T376-M380 PolarHBondContact O-N 3.18Å
377	T	61.9	Low	57.2	Low	89 Å²	89	94.1 Å²	94.1	55%	0.546	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-40.4	177.9	-55.6	0	0	0	0	111.9	N373 Q374 M380 A381	N373-T377 WeakPolarHBondContact O-CB 3.48Å; N373-T377 PolarHBondContact O-N 3.21Å; N373-T377 PolarHBondContact O-OG1 2.94Å; Q374-T377 PolarHBondContact O-N 3.1Å; T377-M380 PolarHBondContact O-N 2.89Å; T377-A381 WeakPolarHBondContact O-CB 3.4Å; T377-A381 PolarHBondContact O-N 3.38Å
378	A	62.4	Low	57.4	Low	61 Å²	61	94.8 Å²	94.8	50%	0.504	52%	0.518	S	S	.	.	H	α-helix	trans	-67.5	-42	176.3	0	0	0	0	0	112.1	Q374 A375 T376 A381 A382	Q374-A378 WeakPolarHBondContact O-CB 3.49Å; Q374-A378 PolarHBondContact O-N 3Å; A375-A378 PolarHBondContact O-N 3.44Å; T376-A378 VanDerWaalsContact C-N 3.34Å; T376-A378 PolarHBondContact O-N 2.91Å; A378-A381 PolarHBondContact O-N 3.4Å; A378-A382 WeakPolarHBondContact O-CB 3.49Å; A378-A382 PolarHBondContact O-N 3.13Å
379	A	64.6	Low	57.7	Low	61 Å²	61	91.3 Å²	91.3	50%	0.504	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-42.3	174.6	0	0	0	0	0	111.9	A375 T376 A382 A383	A375-A379 WeakPolarHBondContact O-CB 3.3Å; A375-A379 PolarHBondContact O-N 3.32Å; T376-A379 PolarHBondContact O-N 3.22Å; A379-A382 PolarHBondContact O-N 2.93Å; A379-A383 WeakPolarHBondContact O-CB 3.44Å; A379-A383 PolarHBondContact O-N 2.86Å
380	M	64.2	Low	58.4	Low	123 Å²	123	86.7 Å²	86.7	61%	0.606	50%	0.501	S	S	*	.	H	α-helix	trans	-63.7	-40.9	174.5	-69.7	175.8	75.5	0	0	112.1	T376 T377 A383 M384	T376-M380 VanDerWaalsContact O-CG 3.3Å; T376-M380 WeakPolarHBondContact O-CG 3.21Å; T376-M380 PolarHBondContact O-N 3.18Å; T377-M380 PolarHBondContact O-N 2.89Å; M380-A383 PolarHBondContact O-N 3.05Å; M380-M384 WeakPolarHBondContact O-CB 3.34Å; M380-M384 WeakPolarHBondContact O-CG 3.31Å; M380-M384 PolarHBondContact O-N 3.48Å
381	A	61.9	Low	58.6	Low	50 Å²	50	90.7 Å²	90.7	41%	0.413	52%	0.517	S	S	.	.	H	α-helix	trans	-66.1	-41.3	175.7	0	0	0	0	0	112.3	T377 A378 M384 L385	T377-A381 WeakPolarHBondContact O-CB 3.4Å; T377-A381 PolarHBondContact O-N 3.38Å; A378-A381 PolarHBondContact O-N 3.4Å; A381-M384 PolarHBondContact O-N 3.08Å; A381-L385 WeakPolarHBondContact O-CB 3.19Å; A381-L385 WeakPolarHBondContact O-CG 3.32Å; A381-L385 PolarHBondContact O-N 3.34Å
382	A	69.1	Low	57.8	Low	52 Å²	52	96.2 Å²	96.2	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-64.2	-43.3	175	0	0	0	0	0	111.9	A378 A379 L385 Q386	A378-A382 WeakPolarHBondContact O-CB 3.49Å; A378-A382 PolarHBondContact O-N 3.13Å; A379-A382 PolarHBondContact O-N 2.93Å; A382-L385 PolarHBondContact O-N 3.34Å; A382-Q386 PolarHBondContact O-N 3.22Å
383	A	67.5	Low	57.5	Low	48 Å²	48	97.8 Å²	97.8	40%	0.397	54%	0.542	S	S	.	.	H	α-helix	trans	-61.7	-44	174.3	0	0	0	0	0	111.8	A379 M380 L385 Q386 L387	A379-A383 WeakPolarHBondContact O-CB 3.44Å; A379-A383 PolarHBondContact O-N 2.86Å; M380-A383 PolarHBondContact O-N 3.05Å; A383-L385 VanDerWaalsContact C-N 3.31Å; A383-L385 PolarHBondContact O-N 2.9Å; A383-Q386 PolarHBondContact O-N 3.34Å; A383-L387 WeakPolarHBondContact O-CB 3.35Å; A383-L387 VanDerWaalsContact O-CG 3.32Å; A383-L387 WeakPolarHBondContact O-CG 3.27Å; A383-L387 PolarHBondContact O-N 3.14Å
384	M	64.4	Low	56.9	Low	135 Å²	135	96.7 Å²	96.7	67%	0.665	54%	0.54	S	S	*	.	H	α-helix	trans	-64	-33.2	174.3	-76.3	-172.1	170.6	0	0	113	M380 A381 R388	M380-M384 WeakPolarHBondContact O-CB 3.34Å; M380-M384 WeakPolarHBondContact O-CG 3.31Å; M380-M384 PolarHBondContact O-N 3.48Å; A381-M384 PolarHBondContact O-N 3.08Å; M384-R388 VanDerWaalsContact O-CB 3.27Å; M384-R388 WeakPolarHBondContact O-CB 3.32Å; M384-R388 PolarHBondContact O-N 3.19Å
385	L	67.6	Low	56.1	Low	119 Å²	119	100.2 Å²	100.2	62%	0.623	56%	0.56	S	S	*	*	H	α-helix	trans	-71.7	-38.4	173.8	-75.2	168.2	0	0	0	112.5	A381 A382 A383 R388 A389	A381-L385 WeakPolarHBondContact O-CB 3.19Å; A381-L385 WeakPolarHBondContact O-CG 3.32Å; A381-L385 PolarHBondContact O-N 3.34Å; A382-L385 PolarHBondContact O-N 3.34Å; A383-L385 VanDerWaalsContact C-N 3.31Å; A383-L385 PolarHBondContact O-N 2.9Å; L385-R388 PolarHBondContact O-N 3.44Å; L385-A389 WeakPolarHBondContact O-CB 3.28Å; L385-A389 PolarHBondContact O-N 2.88Å
386	Q	62.3	Low	55	Low	146 Å²	146	102.7 Å²	102.7	68%	0.682	57%	0.565	S	S	*	*	H	α-helix	trans	-67.9	-41.7	173.6	-74.5	-169.9	-13.7	0	0	112.4	A382 A383 R388 A389 T390	A382-Q386 PolarHBondContact O-N 3.22Å; A383-Q386 PolarHBondContact O-N 3.34Å; Q386-R388 VanDerWaalsContact C-N 3.34Å; Q386-A389 PolarHBondContact O-N 3.14Å; Q386-T390 WeakPolarHBondContact O-CB 3.37Å; Q386-T390 WeakPolarHBondContact O-CG2 3.39Å; Q386-T390 PolarHBondContact O-N 3.49Å; Q386-T390 PolarHBondContact O-OG1 3.36Å
387	L	62.6	Low	53.9	Low	104 Å²	104	103 Å²	103	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-60.1	-43.4	171.2	-71.7	169.7	0	0	0	111.2	A383 T390 W391	A383-L387 WeakPolarHBondContact O-CB 3.35Å; A383-L387 VanDerWaalsContact O-CG 3.32Å; A383-L387 WeakPolarHBondContact O-CG 3.27Å; A383-L387 PolarHBondContact O-N 3.14Å; L387-T390 WeakPolarHBondContact CA-OG1 3.19Å; L387-T390 PolarHBondContact O-OG1 3.4Å; L387-T390 VanDerWaalsContact O-OG1 3.09Å; L387-W391 WeakPolarHBondContact O-CB 3.43Å; L387-W391 PolarHBondContact O-N 3.32Å; L387-W391 VanDerWaalsContact O-N 3.11Å
388	R	42	Very low	52.8	Low	155 Å²	155	108.9 Å²	108.9	59%	0.585	58%	0.584	S	S	*	*	H	α-helix	trans	-65.4	-41.2	176.4	-172.2	172.4	-177.6	164.8	1.3	112.5	M384 L385 Q386 W392	M384-R388 VanDerWaalsContact O-CB 3.27Å; M384-R388 WeakPolarHBondContact O-CB 3.32Å; M384-R388 PolarHBondContact O-N 3.19Å; L385-R388 PolarHBondContact O-N 3.44Å; Q386-R388 VanDerWaalsContact C-N 3.34Å; R388-W392 WeakPolarHBondContact O-CB 3.42Å; R388-W392 PolarHBondContact O-N 3.18Å
389	A	51	Low	51.6	Low	54 Å²	54	112.1 Å²	112.1	45%	0.446	59%	0.591	S	S	.	*	H	α-helix	trans	-63.3	-52.7	177.6	0	0	0	0	0	111.4	L385 Q386 W391 W392 S393	L385-A389 WeakPolarHBondContact O-CB 3.28Å; L385-A389 PolarHBondContact O-N 2.88Å; Q386-A389 PolarHBondContact O-N 3.14Å; A389-W391 PolarHBondContact O-N 3.41Å; A389-W392 PolarHBondContact O-N 3.42Å; A389-W392 VanDerWaalsContact O-N 3.17Å; A389-S393 PolarHBondContact O-N 3.34Å; A389-S393 PolarHBondContact O-OG 3.48Å
390	T	54.8	Low	50.1	Low	92 Å²	92	119.7 Å²	119.7	56%	0.564	61%	0.607	S	S	*	*	H	α-helix	trans	-60	-30.9	179.5	48.1	0	0	0	0	113.4	Q386 L387	Q386-T390 WeakPolarHBondContact O-CB 3.37Å; Q386-T390 WeakPolarHBondContact O-CG2 3.39Å; Q386-T390 PolarHBondContact O-N 3.49Å; Q386-T390 PolarHBondContact O-OG1 3.36Å; L387-T390 WeakPolarHBondContact CA-OG1 3.19Å; L387-T390 PolarHBondContact O-OG1 3.4Å; L387-T390 VanDerWaalsContact O-OG1 3.09Å
391	W	41.3	Very low	48.6	Very low	202 Å²	202	121.9 Å²	121.9	77%	0.765	62%	0.616	S	S	*	*	H	α-helix	trans	-87.3	-22.3	177	-75	54.3	0	0	0	114.5	L387 A389	L387-W391 WeakPolarHBondContact O-CB 3.43Å; L387-W391 PolarHBondContact O-N 3.32Å; L387-W391 VanDerWaalsContact O-N 3.11Å; A389-W391 PolarHBondContact O-N 3.41Å
392	W	38.8	Very low	47.2	Very low	165 Å²	165	125 Å²	125	63%	0.625	64%	0.635	S	S	*	*	H	α-helix	trans	-94.5	-24.9	179.6	-86.6	52	0	0	0	114.3	R388 A389 L395	R388-W392 WeakPolarHBondContact O-CB 3.42Å; R388-W392 PolarHBondContact O-N 3.18Å; A389-W392 PolarHBondContact O-N 3.42Å; A389-W392 VanDerWaalsContact O-N 3.17Å; W392-L395 PolarHBondContact O-N 3.49Å
393	S	43.1	Very low	45.5	Very low	90 Å²	90	128.8 Å²	128.8	63%	0.629	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-39.2	178.6	-72.2	0	0	0	0	115.3	A389	A389-S393 PolarHBondContact O-N 3.34Å; A389-S393 PolarHBondContact O-OG 3.48Å
394	P	40.5	Very low	44	Very low	86 Å²	86	135.7 Å²	135.7	56%	0.558	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-33	-177.6	-21.9	34.6	0	0	0	114.5
395	L	38.9	Very low	42.7	Very low	138 Å²	138	138.4 Å²	138.4	72%	0.723	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-80.6	-26.8	-170.7	-94	151.9	0	0	0	113.9	W392	W392-L395 PolarHBondContact O-N 3.49Å
396	N	35.3	Very low	41.1	Very low	115 Å²	115	141.6 Å²	141.6	62%	0.615	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-87.7	-4.6	-173.2	-146.5	35.6	0	0	0	114
397	S	38.3	Very low	39.9	Very low	78 Å²	78	140.3 Å²	140.3	55%	0.545	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-83.4	-18.5	-176.9	-161.7	0	0	0	0	114
398	Y	37.4	Very low	38.9	Very low	212 Å²	212	141.1 Å²	141.1	83%	0.831	72%	0.719	S	S	*	*	S	Bend	trans	-92.4	-0.2	-171	-98.3	-82.6	0	0	0	115.6
399	I	38	Very low	38.7	Very low	130 Å²	130	139.6 Å²	139.6	67%	0.667	73%	0.73	S	S	*	*	S	Bend	trans	-115.3	-11	-169	-64.1	176.8	0	0	0	113.1
400	W	33.4	Very low	38.2	Very low	220 Å²	220	143.9 Å²	143.9	83%	0.833	75%	0.751	S	S	*	*			trans	-120.6	36.2	-171.2	-83.1	93.9	0	0	0	115
401	Q	32.1	Very low	37.3	Very low	168 Å²	168	144 Å²	144	79%	0.785	76%	0.761	S	S	*	*			trans	-110	82.4	170.4	-66.2	-170.4	6.2	0	0	111.4
402	S	32.9	Very low	37.1	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	76%	0.762	S	S	*	*			trans	-160.9	106.4	166.5	-81.3	0	0	0	0	109.9
403	P	33.5	Very low	37.2	Very low	130 Å²	130	137 Å²	137	84%	0.844	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-89.3	118.8	-178.2	32.6	-31.5	0	0	0	112.2
404	M	35.3	Very low	36.9	Very low	193 Å²	193	141.5 Å²	141.5	95%	0.951	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-100.4	127.9	159.9	-88.5	-171.5	165	0	0	109.9
405	Q	37.8	Very low	36.4	Very low	193 Å²	193	144.4 Å²	144.4	90%	0.902	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-82.9	147.7	180	-64.7	179.4	-9	0	0	111.4
406	Q	33.7	Very low	36.2	Very low	186 Å²	186	144.1 Å²	144.1	87%	0.869	79%	0.791	S	S	*	*			trans	-109.9	141.5	167.3	-68.7	-176.1	-35.5	0	0	109.9
407	P	38	Very low	35.9	Very low	119 Å²	119	142.8 Å²	142.8	77%	0.773	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.8	151	169.7	32.2	-34	0	0	0	111.6
408	P	41.2	Very low	35.6	Very low	120 Å²	120	146.2 Å²	146.2	78%	0.779	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-83.8	160.3	-176	34.2	-36.4	0	0	0	113.8
409	P	37.5	Very low	35.4	Very low	124 Å²	124	142.5 Å²	142.5	81%	0.805	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-93	160.3	-178.6	37.2	-35.9	0	0	0	114.1
410	T	39.4	Very low	35.3	Very low	144 Å²	144	145 Å²	145	88%	0.883	81%	0.81	S	S	*	*			trans	-133.5	150.6	166.7	45.6	0	0	0	0	111.6
411	A	37	Very low	35.4	Very low	93 Å²	93	139.6 Å²	139.6	77%	0.769	80%	0.803	S	S	*	*			trans	-84.3	178.3	176.9	0	0	0	0	0	111.1
412	S	36.7	Very low	35.6	Very low	113 Å²	113	140.1 Å²	140.1	79%	0.79	81%	0.811	S	S	*	*			cis	-156.8	175.2	18.8	-129.6	0	0	0	0	111.1
413	P	41.2	Very low	35.3	Very low	109 Å²	109	141 Å²	141	71%	0.708	81%	0.806	S	S	*	*			trans	-104	165.8	-165	39.8	-36.1	0	0	0	115.9
414	Q	37.1	Very low	35.5	Very low	183 Å²	183	142.9 Å²	142.9	86%	0.855	81%	0.808	S	S	*	*			trans	-168.2	123	142.2	-110.8	164	52.4	0	0	115.3
415	N	29.5	Very low	35.3	Very low	147 Å²	147	137.4 Å²	137.4	79%	0.786	79%	0.789	S	S	*	*			trans	40.5	161.1	137.2	-66.2	-10.9	0	0	0	125.3
416	V	33.8	Very low	35	Very low	133 Å²	133	133.9 Å²	133.9	81%	0.806	78%	0.776	S	S	*	*			trans	73.7	106.7	172.7	-164.4	0	0	0	0	113.6
417	A	30.5	Very low	35.2	Very low	86 Å²	86	133.3 Å²	133.3	71%	0.711	77%	0.771	S	S	*	*			cis	90.4	149.3	26.4	0	0	0	0	0	116
418	I	30.9	Very low	34.9	Very low	151 Å²	151	135.4 Å²	135.4	77%	0.774	78%	0.776	S	S	*	*			trans	95.4	131.9	167.4	-57.6	174.1	0	0	0	117.7
419	D	34.6	Very low	34.7	Very low	133 Å²	133	135.5 Å²	135.5	71%	0.711	78%	0.776	S	S	*	*			trans	59.4	100.3	158.5	-63	-13.5	0	0	0	125.9
420	Q	34.4	Very low	34.5	Very low	182 Å²	182	133.1 Å²	133.1	85%	0.85	77%	0.774	S	S	*	*				67.2	156.4	106.1	-72.8	-149.6	17.2	0	0	122.8
421	P	35.6	Very low	34	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	78%	0.775	S	S	*	*			trans	-104.3	172.3	-160.7	41.1	-35.4	0	0	0	114.8
422	L	35.9	Very low	33.5	Very low	179 Å²	179	139.1 Å²	139.1	94%	0.937	78%	0.778	S	S	*	*			trans	-126.2	136	165.1	-78.8	173.1	0	0	0	112.7
423	D	28.1	Very low	33.1	Very low	136 Å²	136	141.3 Å²	141.3	73%	0.727	78%	0.78	S	S	*	*			trans	-80.1	153.8	174.6	-176.1	-8.4	0	0	0	110.8	S425	D423-S425 PolarHBondContact OD1-N 2.84Å
424	L	36.7	Very low	32.6	Very low	169 Å²	169	141 Å²	141	89%	0.885	78%	0.781	S	S	*	*			trans	-156	63.6	158.9	-115.7	172	0	0	0	113.8
425	S	30.9	Very low	32.3	Very low	78 Å²	78	141.4 Å²	141.4	55%	0.545	78%	0.78	S	S	.	*			trans	-18.7	142.2	153.5	174.8	0	0	0	0	117.8	D423	D423-S425 PolarHBondContact OD1-N 2.84Å
426	N	32.2	Very low	32.4	Very low	118 Å²	118	139.6 Å²	139.6	63%	0.631	78%	0.779	S	S	*	*				-168.6	138.4	126.7	-106.9	-73.6	0	0	0	117.2
427	K	38.3	Very low	32.2	Very low	175 Å²	175	137.7 Å²	137.7	76%	0.761	78%	0.777	S	S	*	*			trans	64.8	88.9	142.5	-73.8	159	-175	131.5	0	123
428	N	31.1	Very low	32.4	Very low	163 Å²	163	138.3 Å²	138.3	87%	0.872	78%	0.776	S	S	*	*				50.8	150.4	111.6	-97.9	-3.5	0	0	0	124.4
429	P	37.1	Very low	32.5	Very low	122 Å²	122	136.2 Å²	136.2	79%	0.792	78%	0.775	S	S	*	*			trans	-105.6	164.7	-175.7	41.5	-36.5	0	0	0	117
430	G	33.8	Very low	32.5	Very low	73 Å²	73	134.6 Å²	134.6	75%	0.753	77%	0.774	S	S	*	*			trans	-169	125.5	161.7	0	0	0	0	0	109.7
431	R	27.7	Very low	32.3	Very low	241 Å²	241	131.5 Å²	131.5	91%	0.909	77%	0.772	S	S	*	*				74.5	104.7	68.9	-168.7	-167.3	-159.7	-136.4	7.5	114
432	C	28.3	Very low	32.2	Very low	122 Å²	122	132.6 Å²	132.6	82%	0.824	78%	0.777	S	S	*	*			trans	-178.2	160.3	130.3	-102.6	0	0	0	0	114.4
433	N	26.7	Very low	32	Very low	159 Å²	159	130 Å²	130	85%	0.85	77%	0.768	S	S	*	*			trans	-94.2	155.8	-172.9	-59	-29.6	0	0	0	114.1
434	S	32.2	Very low	32.2	Very low	102 Å²	102	127.7 Å²	127.7	71%	0.713	76%	0.763	S	S	*	*			trans	-172.9	127.9	136	-86.4	0	0	0	0	110.3
435	K	31	Very low	32.1	Very low	193 Å²	193	126.7 Å²	126.7	84%	0.839	76%	0.757	S	S	*	*				64.2	136.8	89.2	-65.2	176.8	-179	-179.7	0	113.5
436	S	30.3	Very low	32.1	Very low	108 Å²	108	131.7 Å²	131.7	76%	0.755	77%	0.769	S	S	*	*			cis	-177.2	166.3	0.5	43.5	0	0	0	0	112.3
437	A	30.6	Very low	32.4	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	77%	0.772	S	S	*	*			trans	70.9	152.6	154.4	0	0	0	0	0	118.5
438	S	33.4	Very low	32	Very low	100 Å²	100	132.2 Å²	132.2	70%	0.699	78%	0.777	S	S	*	*			cis	-167.5	170.5	-13.5	48.6	0	0	0	0	112.4
439	S	33.4	Very low	31.9	Very low	106 Å²	106	132.2 Å²	132.2	74%	0.741	78%	0.776	S	S	*	*			trans	67.1	145.3	151.9	40.8	0	0	0	0	120
440	S	34.3	Very low	31.5	Very low	100 Å²	100	131.6 Å²	131.6	70%	0.699	77%	0.774	S	S	*	*			cis	-173.1	141.5	-10	47.3	0	0	0	0	113.8
441	S	31.2	Very low	31.3	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	77%	0.77	S	S	*	*			trans	64.6	163.1	151.4	-51.1	0	0	0	0	117.9
442	V	33.8	Very low	31.4	Very low	132 Å²	132	129 Å²	129	80%	0.8	76%	0.763	S	S	*	*			cis	-138.2	152.8	20.4	179.3	0	0	0	0	112.7
443	T	31	Very low	31.5	Very low	124 Å²	124	130.9 Å²	130.9	76%	0.761	76%	0.764	S	S	*	*			trans	-41.9	169.9	166.4	16	0	0	0	0	118.1
444	S	31.8	Very low	31.8	Very low	87 Å²	87	127.5 Å²	127.5	61%	0.608	76%	0.758	S	S	*	*			cis	-175.2	-175.6	6.5	45.8	0	0	0	0	113.6
445	I	34.1	Very low	31.7	Very low	148 Å²	148	126.9 Å²	126.9	76%	0.759	77%	0.768	S	S	*	*			trans	77.9	131.7	155.8	-62	154.7	0	0	0	116.9
446	F	30.9	Very low	31.7	Very low	184 Å²	184	121.5 Å²	121.5	81%	0.807	77%	0.768	S	S	*	*			cis	-159.7	155.3	-22.6	-127.3	-88.7	0	0	0	109.7
447	P	39.1	Very low	31.5	Very low	105 Å²	105	124 Å²	124	68%	0.682	77%	0.773	S	S	*	*			trans	-123.8	167.9	-174.8	42	-31.5	0	0	0	117.1
448	K	30.8	Very low	31.2	Very low	199 Å²	199	125 Å²	125	87%	0.865	77%	0.774	S	S	*	*			trans	177.8	156.5	157	-101.9	156.1	-173.7	177.5	0	109.5
449	L	29.2	Very low	30.9	Very low	163 Å²	163	127.9 Å²	127.9	85%	0.853	78%	0.781	S	S	*	*			cis	-129.7	170.3	8.9	-86.8	107.8	0	0	0	112.3
450	S	27.4	Very low	30.5	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	79%	0.786	S	S	*	*			trans	-132	162.2	170.9	-61.9	0	0	0	0	112.8
451	S	29.9	Very low	30.4	Very low	96 Å²	96	133.1 Å²	133.1	67%	0.671	79%	0.794	S	S	*	*			trans	89	148	141.6	80.7	0	0	0	0	121.9
452	H	29	Very low	30.1	Very low	165 Å²	165	135.7 Å²	135.7	76%	0.764	80%	0.799	S	S	*	*			trans	66.2	138.4	154.6	-66.4	-51.3	0	0	0	118.3
453	L	31.7	Very low	29.8	Very low	160 Å²	160	132.9 Å²	132.9	84%	0.838	80%	0.797	S	S	*	*			cis	-148.4	178.3	-0.5	-82.7	124.6	0	0	0	108.5
454	A	32	Very low	29.5	Very low	88 Å²	88	134.6 Å²	134.6	73%	0.727	80%	0.801	S	S	*	*			cis	-177.8	157.2	-43.8	0	0	0	0	0	109.9
455	G	30.6	Very low	29.2	Very low	89 Å²	89	138 Å²	138	92%	0.918	81%	0.813	S	S	*	*			trans	98.3	151	165.6	0	0	0	0	0	117.3
456	G	31.5	Very low	29.1	Very low	81 Å²	81	138.8 Å²	138.8	84%	0.835	82%	0.817	S	S	*	*			trans	122.1	68	172.5	0	0	0	0	0	116.3
457	N	25.4	Very low	28.9	Very low	161 Å²	161	138.9 Å²	138.9	86%	0.861	83%	0.825	S	S	*	*			trans	-90.8	159.8	169.7	-82.6	-18.7	0	0	0	111.9
458	S	25.2	Very low	28.3	Very low	114 Å²	114	136.1 Å²	136.1	80%	0.797	82%	0.816	S	S	*	*			trans	68.6	155.6	171.7	-66.1	0	0	0	0	115.7
459	L	26.1	Very low	28.1	Very low	160 Å²	160	136.3 Å²	136.3	84%	0.838	82%	0.818	S	S	*	*			cis	-137.1	170.1	10.7	-158.4	74.8	0	0	0	111.1
460	M	26	Very low	28.3	Very low	174 Å²	174	137.2 Å²	137.2	86%	0.857	82%	0.819	S	S	*	*			trans	-74.6	145.3	166.4	-65.4	179.9	173	0	0	112
461	T	32.1	Very low	28.4	Very low	141 Å²	141	140 Å²	140	87%	0.865	82%	0.82	S	S	*	*			trans	-154.7	161.5	142.5	15.4	0	0	0	0	111.3
462	N	24.7	Very low	28.6	Very low	170 Å²	170	142.6 Å²	142.6	91%	0.909	82%	0.822	S	S	*	*			trans	-89.1	171.8	-179.2	-56.8	-63.5	0	0	0	111.9
463	G	26.3	Very low	28.8	Very low	74 Å²	74	140.4 Å²	140.4	76%	0.763	82%	0.816	S	S	*	*			trans	141.7	133.6	151.9	0	0	0	0	0	114.4
464	N	24.7	Very low	29.1	Very low	159 Å²	159	136.9 Å²	136.9	85%	0.85	81%	0.805	S	S	*	*			trans	-80.8	127.7	160.4	-46.7	-85.7	0	0	0	107.2
465	D	27.5	Very low	29.2	Very low	160 Å²	160	139.9 Å²	139.9	86%	0.856	80%	0.803	S	S	*	*			trans	-160.7	-175.1	149.4	-107.3	-36.5	0	0	0	109.9
466	L	30.6	Very low	29.6	Very low	163 Å²	163	141.5 Å²	141.5	85%	0.853	79%	0.79	S	S	*	*			trans	67.7	45.9	-169.3	-54.8	179.5	0	0	0	114.2	G468	L466-G468 VanDerWaalsContact C-N 3.35Å; L466-G468 PolarHBondContact O-N 3.4Å
467	L	26.4	Very low	29.9	Very low	186 Å²	186	142.3 Å²	142.3	97%	0.974	78%	0.779	S	S	*	*			trans	-87.2	78.8	149.2	-128.8	174.5	0	0	0	108.5
468	G	27.1	Very low	30.4	Very low	48 Å²	48	139.3 Å²	139.3	50%	0.495	76%	0.762	S	S	.	*			trans	-176.3	154.3	-178	0	0	0	0	0	112.3	L466	L466-G468 VanDerWaalsContact C-N 3.35Å; L466-G468 PolarHBondContact O-N 3.4Å
469	F	26.6	Very low	30.8	Very low	203 Å²	203	142.1 Å²	142.1	89%	0.89	76%	0.756	S	S	*	*			trans	59.4	103.7	-179.6	-50.5	-78.7	0	0	0	116.4
470	M	32.9	Very low	31.3	Very low	181 Å²	181	137.4 Å²	137.4	89%	0.892	74%	0.74	S	S	*	*			trans	164.5	48.2	149.4	-94.1	-165.1	-61.5	0	0	111.3
471	H	30.6	Very low	31.8	Very low	168 Å²	168	135.6 Å²	135.6	78%	0.778	73%	0.733	S	S	*	*			trans	-152.1	40	-178.7	-129.7	-64.4	0	0	0	117.3
472	Q	33.8	Very low	32.2	Very low	149 Å²	149	136.6 Å²	136.6	70%	0.696	73%	0.728	S	S	*	*	S	Bend	trans	-107.4	-36.7	173.1	-124.9	76.7	14.6	0	0	113.8	S474	Q472-S474 PolarHBondContact O-N 3.41Å
473	D	33	Very low	32.8	Very low	120 Å²	120	135.9 Å²	135.9	64%	0.642	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-11.5	-151.6	-49.8	-59.9	0	0	0	116.4
474	S	38.2	Very low	33.1	Very low	86 Å²	86	139.1 Å²	139.1	60%	0.601	72%	0.723	S	S	*	*	H	α-helix	trans	-80.1	-12.9	178.3	-60	0	0	0	0	114.8	Q472 N478	Q472-S474 PolarHBondContact O-N 3.41Å; S474-N478 PolarHBondContact O-ND2 2.93Å
475	H	34.3	Very low	33.5	Very low	151 Å²	151	133.9 Å²	133.9	70%	0.699	71%	0.708	S	S	*	*	H	α-helix	trans	-92.6	-23.4	-178.5	-78.5	-73.9	0	0	0	114.4	R479	H475-R479 WeakPolarHBondContact O-CB 3.33Å
476	L	39.2	Very low	33.5	Very low	123 Å²	123	133 Å²	133	64%	0.644	71%	0.708	S	S	*	*	H	α-helix	trans	-78	-44	177.5	-72	167.8	0	0	0	112	N478 R479 A480	L476-N478 VanDerWaalsContact C-N 3.33Å; L476-N478 PolarHBondContact O-N 2.94Å; L476-R479 PolarHBondContact O-N 2.88Å; L476-A480 PolarHBondContact O-N 3.22Å
477	V	38.3	Very low	33.4	Very low	98 Å²	98	132.1 Å²	132.1	59%	0.594	71%	0.709	S	S	*	*	H	α-helix	trans	-61.9	-38.9	-178.3	-177.7	0	0	0	0	112.3
478	N	35	Very low	33.5	Very low	97 Å²	97	128 Å²	128	52%	0.519	70%	0.695	S	S	.	*	H	α-helix	trans	-74.1	-25.8	176.3	-73	-68	0	0	0	113.2	S474 L476 Q482	S474-N478 PolarHBondContact O-ND2 2.93Å; L476-N478 VanDerWaalsContact C-N 3.33Å; L476-N478 PolarHBondContact O-N 2.94Å; N478-Q482 WeakPolarHBondContact O-CG 3.26Å; N478-Q482 PolarHBondContact O-N 3.18Å
479	R	34.4	Very low	33.7	Very low	173 Å²	173	133.8 Å²	133.8	65%	0.653	71%	0.712	S	S	*	*	H	α-helix	trans	-74.3	-35.8	178.9	-164.7	170.4	-173.1	136.7	0.9	111.9	H475 L476 L481 Q482 Q483	H475-R479 WeakPolarHBondContact O-CB 3.33Å; L476-R479 PolarHBondContact O-N 2.88Å; R479-L481 VanDerWaalsContact C-N 3.31Å; R479-L481 PolarHBondContact O-N 2.72Å; R479-Q482 PolarHBondContact O-N 3.44Å; R479-Q482 VanDerWaalsContact O-N 3.16Å; R479-Q483 PolarHBondContact O-N 3.24Å
480	A	34.7	Very low	33.9	Very low	61 Å²	61	130.6 Å²	130.6	50%	0.504	71%	0.709	S	S	.	*	H	α-helix	trans	-61.1	-37.1	173.8	0	0	0	0	0	112.7	L476 Q482	L476-A480 PolarHBondContact O-N 3.22Å; A480-Q482 VanDerWaalsContact C-N 3.31Å; A480-Q482 PolarHBondContact O-N 2.4Å
481	L	37.9	Very low	33.8	Very low	137 Å²	137	127.1 Å²	127.1	72%	0.717	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-10.8	177.3	-68.3	172.5	0	0	0	114.1	R479	R479-L481 VanDerWaalsContact C-N 3.31Å; R479-L481 PolarHBondContact O-N 2.72Å
482	Q	39.9	Very low	33.9	Very low	162 Å²	162	122.7 Å²	122.7	76%	0.757	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-2.8	175.4	-73.2	-179.2	-23.7	0	0	113.4	N478 R479 A480	N478-Q482 WeakPolarHBondContact O-CG 3.26Å; N478-Q482 PolarHBondContact O-N 3.18Å; R479-Q482 PolarHBondContact O-N 3.44Å; R479-Q482 VanDerWaalsContact O-N 3.16Å; A480-Q482 VanDerWaalsContact C-N 3.31Å; A480-Q482 PolarHBondContact O-N 2.4Å
483	Q	37.8	Very low	33.7	Very low	155 Å²	155	123.5 Å²	123.5	72%	0.724	72%	0.718	S	S	*	*	S	Bend	trans	-94	-3.1	175.8	-70.9	-177.7	-66.3	0	0	113.8	R479 G485	R479-Q483 PolarHBondContact O-N 3.24Å; Q483-G485 PolarHBondContact O-N 2.83Å
484	V	32.9	Very low	33.7	Very low	141 Å²	141	123.6 Å²	123.6	86%	0.855	73%	0.729	S	S	*	*	S	Bend	trans	-101	63	168.7	-168	0	0	0	0	109
485	G	31.7	Very low	33.4	Very low	50 Å²	50	125.9 Å²	125.9	52%	0.515	74%	0.739	S	S	.	*			trans	-120.4	139.5	179.3	0	0	0	0	0	111.7	Q483	Q483-G485 PolarHBondContact O-N 2.83Å
486	T	28.1	Very low	33.5	Very low	141 Å²	141	124.1 Å²	124.1	87%	0.865	74%	0.741	S	S	*	*			trans	49.4	93	165.5	57.6	0	0	0	0	117.4
487	V	29.2	Very low	33.1	Very low	144 Å²	144	123.3 Å²	123.3	87%	0.873	75%	0.746	S	S	*	*			trans	-108.1	124.1	132.7	179.9	0	0	0	0	106.3
488	S	27.5	Very low	33.2	Very low	99 Å²	99	124.2 Å²	124.2	69%	0.692	75%	0.753	S	S	*	*			trans	-123	126.5	176.6	-176.8	0	0	0	0	107.9
489	M	31.5	Very low	33.2	Very low	170 Å²	170	125.4 Å²	125.4	84%	0.837	77%	0.769	S	S	*	*			trans	-136	149.9	171.7	-76.1	-79.6	91.5	0	0	108.5
490	T	31	Very low	33.4	Very low	136 Å²	136	120.4 Å²	120.4	83%	0.834	77%	0.772	S	S	*	*			trans	-92.5	164.6	-160.5	45.5	0	0	0	0	113.8
491	A	31	Very low	33.5	Very low	108 Å²	108	123.8 Å²	123.8	89%	0.893	79%	0.786	S	S	*	*			trans	-73.3	159.1	174.9	0	0	0	0	0	112.7
492	G	32.6	Very low	33.3	Very low	76 Å²	76	122.7 Å²	122.7	78%	0.784	79%	0.786	S	S	*	*			trans	172.2	115.5	172.9	0	0	0	0	0	110.1
493	D	28.7	Very low	33	Very low	165 Å²	165	122 Å²	122	88%	0.882	79%	0.787	S	S	*	*			trans	-79.1	146.3	-177.1	-69.4	-67.7	0	0	0	112.9
494	S	34.1	Very low	32.9	Very low	123 Å²	123	120.7 Å²	120.7	86%	0.86	78%	0.78	S	S	*	*			trans	-165.7	134.4	145.2	-83.2	0	0	0	0	112.1
495	T	31.2	Very low	33.2	Very low	133 Å²	133	123.9 Å²	123.9	82%	0.816	78%	0.777	S	S	*	*			trans	-80.4	172.6	173	37.5	0	0	0	0	110.9
496	P	37.7	Very low	33.9	Very low	114 Å²	114	126 Å²	126	74%	0.74	78%	0.784	S	S	*	*			cis	-146.2	165.4	28.5	42.7	-21.6	0	0	0	120.8
497	S	29.9	Very low	34.5	Very low	106 Å²	106	125.8 Å²	125.8	74%	0.741	78%	0.777	S	S	*	*			trans	13.7	150.5	130.8	-56	0	0	0	0	120.4
498	P	39.9	Very low	34.9	Very low	117 Å²	117	126.5 Å²	126.5	76%	0.76	78%	0.775	S	S	*	*				-154.2	179.6	54	44	-23.2	0	0	0	120.9
499	S	36.2	Very low	35.2	Very low	122 Å²	122	127.2 Å²	127.2	85%	0.853	78%	0.781	S	S	*	*			trans	85.8	115.8	151.5	-58.2	0	0	0	0	120.7
500	G	37.2	Very low	35.6	Very low	69 Å²	69	125.9 Å²	125.9	71%	0.711	78%	0.777	S	S	*	*			trans	146.6	82.2	156.4	0	0	0	0	0	118
501	T	36.5	Very low	36.1	Very low	131 Å²	131	127.4 Å²	127.4	80%	0.804	77%	0.774	S	S	*	*			trans	23.4	136.6	139.6	56.4	0	0	0	0	120.7
502	T	34.2	Very low	36.4	Very low	114 Å²	114	127.2 Å²	127.2	70%	0.699	77%	0.766	S	S	*	*			cis	-175.9	153.6	10.5	12.1	0	0	0	0	111.2
503	L	33.5	Very low	36.6	Very low	149 Å²	149	127 Å²	127	78%	0.78	76%	0.758	S	S	*	*			trans	62.9	144.3	164.6	-82.6	81.3	0	0	0	117.3
504	E	37.1	Very low	36.9	Very low	126 Å²	126	124.9 Å²	124.9	59%	0.589	75%	0.751	S	S	*	*			cis	-152.4	156	-9.3	-141.5	-175.3	142	0	0	111.6
505	R	37.5	Very low	37	Very low	208 Å²	208	127.3 Å²	127.3	79%	0.785	75%	0.748	S	S	*	*			trans	10.9	136	158.2	-68.8	168.4	172.5	136.4	-7.9	120.3
506	S	46.6	Very low	37.1	Very low	95 Å²	95	128.2 Å²	128.2	66%	0.664	74%	0.743	S	S	*	*			cis	-168.5	-146	-12.2	-64.4	0	0	0	0	106.6
507	D	41.3	Very low	37	Very low	136 Å²	136	130 Å²	130	73%	0.727	75%	0.746	S	S	*	*			cis	-168.4	155.7	-15.4	-116.5	-39.9	0	0	0	105.3
508	L	37.2	Very low	37.3	Very low	159 Å²	159	130.2 Å²	130.2	83%	0.832	75%	0.747	S	S	*	*			cis	-135.7	177.1	-6.1	-50.8	86.2	0	0	0	108.5
509	S	35.1	Very low	37.6	Very low	115 Å²	115	130.2 Å²	130.2	80%	0.804	75%	0.747	S	S	*	*			trans	-153.8	168.9	159.8	71.7	0	0	0	0	111.5
510	N	39.4	Very low	37.5	Very low	141 Å²	141	130.2 Å²	130.2	75%	0.754	75%	0.746	S	S	*	*			trans	-139	124.1	-179.7	-88.7	-21.9	0	0	0	112.2
511	H	41.3	Very low	37.6	Very low	168 Å²	168	132.2 Å²	132.2	78%	0.778	75%	0.749	S	S	*	*			trans	47	155.6	141	-61.7	-69.7	0	0	0	121.9
512	S	37.2	Very low	37.7	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	75%	0.75	S	S	*	*			cis	175.6	160.7	-19.9	-88.6	0	0	0	0	106.3
513	A	36.5	Very low	37.9	Very low	73 Å²	73	128.3 Å²	128.3	60%	0.603	75%	0.75	S	S	*	*			cis	-173.5	176.9	-20.8	0	0	0	0	0	107.9
514	T	35.6	Very low	37.9	Very low	120 Å²	120	127.7 Å²	127.7	74%	0.736	75%	0.752	S	S	*	*			trans	63.1	158	162.6	52.5	0	0	0	0	117.6
515	E	36.3	Very low	37.6	Very low	174 Å²	174	126.8 Å²	126.8	81%	0.813	76%	0.759	S	S	*	*			cis	-174.2	164.4	-8.9	-105.6	164.1	-164.7	0	0	106.9
516	E	32.3	Very low	37.6	Very low	151 Å²	151	121.8 Å²	121.8	71%	0.706	76%	0.755	S	S	*	*			cis	-169.1	-177.7	-19.6	-138.3	-66.2	86.3	0	0	108.2
517	L	36.5	Very low	37.4	Very low	153 Å²	153	123.4 Å²	123.4	80%	0.801	77%	0.767	S	S	*	*			trans	94.5	145.4	160.4	-62.6	173.4	0	0	0	120.2
518	S	35.1	Very low	37.2	Very low	109 Å²	109	120.7 Å²	120.7	76%	0.762	77%	0.771	S	S	*	*			trans	-127.7	-130.6	-167.2	-56.7	0	0	0	0	113.9
519	P	47.5	Very low	37	Very low	118 Å²	118	117 Å²	117	77%	0.766	77%	0.772	S	S	*	*				-120.3	175.8	-87	35.5	-21.9	0	0	0	115.2
520	C	34.6	Very low	36.8	Very low	122 Å²	122	117.7 Å²	117.7	82%	0.824	78%	0.776	S	S	*	*			trans	179.8	158.4	146.5	-97.2	0	0	0	0	111.1
521	S	38.9	Very low	36.6	Very low	111 Å²	111	115.3 Å²	115.3	78%	0.776	78%	0.776	S	S	*	*			cis	-172	137	-27.5	-100.7	0	0	0	0	111.2
522	G	37.1	Very low	36.3	Very low	80 Å²	80	113.1 Å²	113.1	83%	0.825	78%	0.78	S	S	*	*			trans	82.7	157.2	162.4	0	0	0	0	0	118.4
523	A	38.5	Very low	36.1	Very low	83 Å²	83	111.7 Å²	111.7	69%	0.686	78%	0.781	S	S	*	*			cis	-165.1	144	-11.9	0	0	0	0	0	112.4
524	T	35	Very low	36	Very low	135 Å²	135	114.9 Å²	114.9	83%	0.828	79%	0.794	S	S	*	*			trans	60.2	157	149.7	50.3	0	0	0	0	119.3
525	C	31.1	Very low	36	Very low	108 Å²	108	114.6 Å²	114.6	73%	0.73	79%	0.794	S	S	*	*			cis	-170.3	162.4	-14	50.5	0	0	0	0	108.1
526	S	37.3	Very low	35.9	Very low	102 Å²	102	112.3 Å²	112.3	71%	0.713	79%	0.791	S	S	*	*			cis	-172.2	157.9	-22.6	-87.1	0	0	0	0	108.6
527	S	42.1	Very low	35.7	Very low	130 Å²	130	116.3 Å²	116.3	91%	0.909	80%	0.8	S	S	*	*			trans	66.9	150.6	169.8	73.8	0	0	0	0	118.1
528	G	35.5	Very low	35.6	Very low	79 Å²	79	114.1 Å²	114.1	81%	0.814	80%	0.795	S	S	*	*			cis	159	161.6	-7.2	0	0	0	0	0	112.6
529	G	33.4	Very low	35.4	Very low	82 Å²	82	112.6 Å²	112.6	85%	0.845	80%	0.796	S	S	*	*			trans	132	101.9	171.2	0	0	0	0	0	114.6
530	S	31.3	Very low	34.8	Very low	128 Å²	128	111.4 Å²	111.4	90%	0.895	80%	0.797	S	S	*	*			trans	-113.2	137.1	-178.7	-55.7	0	0	0	0	112.2
531	A	35.5	Very low	34.5	Very low	92 Å²	92	116.5 Å²	116.5	76%	0.76	80%	0.8	S	S	*	*			trans	-158.8	94.7	156.6	0	0	0	0	0	108.7
532	S	34.3	Very low	34.3	Very low	122 Å²	122	115.6 Å²	115.6	85%	0.853	80%	0.8	S	S	*	*				56.4	96.9	80.1	76.3	0	0	0	0	113.9
533	G	34	Very low	34.3	Very low	74 Å²	74	120.8 Å²	120.8	76%	0.763	80%	0.8	S	S	*	*			trans	178.5	76.1	178	0	0	0	0	0	114.6
534	T	33.7	Very low	34.4	Very low	140 Å²	140	123.8 Å²	123.8	86%	0.859	80%	0.804	S	S	*	*			trans	-103	122.3	177	49.8	0	0	0	0	112.9
535	P	36.3	Very low	34.5	Very low	113 Å²	113	125 Å²	125	73%	0.734	81%	0.805	S	S	*	*			trans	-126.2	120.2	136.7	32.5	-21	0	0	0	109.7
536	V	33.7	Very low	34.7	Very low	126 Å²	126	125.9 Å²	125.9	76%	0.764	80%	0.801	S	S	*	*				65.5	111.1	83.9	177.9	0	0	0	0	113.5
537	W	27.4	Very low	34.5	Very low	236 Å²	236	127.8 Å²	127.8	89%	0.894	80%	0.797	S	S	*	*			trans	7.5	152.2	150	-58.1	76.3	0	0	0	120.4
538	P	36	Very low	34.2	Very low	106 Å²	106	126.9 Å²	126.9	69%	0.688	79%	0.791	S	S	*	*			cis	-140.5	-177	18.4	41.9	-23.3	0	0	0	116.6	A540	P538-A540 PolarHBondContact O-N 2.95Å
539	G	30	Very low	34.3	Very low	77 Å²	77	128.4 Å²	128.4	79%	0.794	79%	0.785	S	S	*	*	S	Bend		79.6	5.3	124.8	0	0	0	0	0	121.9
540	A	34.4	Very low	34.8	Very low	94 Å²	94	129.2 Å²	129.2	78%	0.777	77%	0.768	S	S	*	*			trans	-147.5	46.7	178	0	0	0	0	0	114.7	P538	P538-A540 PolarHBondContact O-N 2.95Å
541	Y	29	Very low	34.9	Very low	228 Å²	228	131.5 Å²	131.5	89%	0.894	76%	0.759	S	S	*	*			trans	-68.8	151.4	-179.2	-86.6	-96.2	0	0	0	113.7
542	A	33.9	Very low	35.1	Very low	93 Å²	93	132.9 Å²	132.9	77%	0.769	76%	0.76	S	S	*	*	S	Bend	trans	65.9	86	173.7	0	0	0	0	0	117.7
543	K	38.3	Very low	35.1	Very low	189 Å²	189	133 Å²	133	82%	0.822	75%	0.751	S	S	*	*	S	Bend	trans	-161.2	-43	142.9	-109.2	152.5	-171.9	175.1	0	114.6
544	N	39.5	Very low	35	Very low	145 Å²	145	133.6 Å²	133.6	78%	0.775	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-87.8	-18	-164.7	-65.3	-7.6	0	0	0	116.3	L546 F547	N544-L546 VanDerWaalsContact C-N 3.35Å; N544-L546 PolarHBondContact O-N 3.31Å; N544-F547 PolarHBondContact O-N 3.35Å
545	L	37.5	Very low	35.3	Very low	162 Å²	162	135.3 Å²	135.3	85%	0.848	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-75.5	-15.7	-174.6	-74.9	169.8	0	0	0	115.1	F547	L545-F547 VanDerWaalsContact C-N 3.34Å
546	L	36	Very low	35.6	Very low	125 Å²	125	138.4 Å²	138.4	65%	0.654	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-80.8	-13.1	174.6	-78	167.4	0	0	0	113.3	N544 I550	N544-L546 VanDerWaalsContact C-N 3.35Å; N544-L546 PolarHBondContact O-N 3.31Å; L546-I550 VanDerWaalsContact O-CD1 3.3Å; L546-I550 WeakPolarHBondContact O-CD1 3.2Å; L546-I550 WeakPolarHBondContact O-CG1 3.4Å
547	F	32.6	Very low	35.9	Very low	142 Å²	142	142.6 Å²	142.6	62%	0.623	77%	0.767	S	S	*	*	S	Bend	trans	-81	-23.4	-170.6	-141.2	-89.1	0	0	0	113.6	N544 L545	N544-F547 PolarHBondContact O-N 3.35Å; L545-F547 VanDerWaalsContact C-N 3.34Å
548	S	35.6	Very low	36.7	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	75%	0.753	S	S	*	*	S	Bend	trans	-98.4	-3.6	-174.6	-164.2	0	0	0	0	114.7
549	T	37.7	Very low	37.1	Very low	112 Å²	112	136.2 Å²	136.2	69%	0.687	74%	0.737	S	S	*	*	S	Bend	trans	-110	1.4	-175.5	43.9	0	0	0	0	113.8
550	I	44.5	Very low	37.5	Very low	98 Å²	98	138.4 Å²	138.4	50%	0.503	73%	0.73	S	S	.	*	S	Bend	trans	-114.2	-17.2	-171.3	-61.2	-179.7	0	0	0	112.8	L546	L546-I550 VanDerWaalsContact O-CD1 3.3Å; L546-I550 WeakPolarHBondContact O-CD1 3.2Å; L546-I550 WeakPolarHBondContact O-CG1 3.4Å
551	Y	33.3	Very low	37.9	Very low	177 Å²	177	139.2 Å²	139.2	69%	0.694	72%	0.721	S	S	*	*			trans	-132.9	101.6	-177.5	-67.5	-78.7	0	0	0	112.2
552	P	39.1	Very low	39	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	70%	0.701	S	S	*	*			trans	-74.9	-30.5	169	-15.6	31.4	0	0	0	112.8
553	D	34.7	Very low	39.7	Very low	124 Å²	124	131.4 Å²	131.4	66%	0.663	68%	0.681	S	S	*	*	S	Bend	trans	-102.9	130.2	-166.3	-59.4	-68.8	0	0	0	113	H555	D553-H555 VanDerWaalsContact C-N 3.32Å; D553-H555 PolarHBondContact O-N 3.1Å
554	G	32.6	Very low	40.1	Very low	86 Å²	86	126.1 Å²	126.1	89%	0.887	66%	0.664	S	S	*	*			trans	-76.7	55.4	-164.7	0	0	0	0	0	117
555	H	39	Very low	40.9	Very low	177 Å²	177	124 Å²	124	82%	0.819	65%	0.653	S	S	*	*			trans	-91.8	108.8	174.8	-86.5	-82	0	0	0	113.6	D553	D553-H555 VanDerWaalsContact C-N 3.32Å; D553-H555 PolarHBondContact O-N 3.1Å
556	Q	43.9	Very low	41.6	Very low	177 Å²	177	119.8 Å²	119.8	83%	0.827	63%	0.631	S	S	*	*			trans	28.3	114.1	154.4	-165.1	168.1	2.5	0	0	118.2	R558	Q556-R558 PolarHBondContact O-N 3.28Å
557	K	39.8	Very low	42.1	Very low	214 Å²	214	118.4 Å²	118.4	93%	0.93	62%	0.624	S	S	*	*			trans	-50.5	101.3	175	-65	179.4	-179.9	178.2	0	112.4
558	R	42.9	Very low	42.8	Very low	159 Å²	159	114.1 Å²	114.1	60%	0.6	61%	0.611	S	S	*	*			trans	-64.7	149.3	155.9	-69.7	-171	-175.6	-165	-1.3	109.5	Q556 E562 V563 D566	Q556-R558 PolarHBondContact O-N 3.28Å; R558-E562 WeakPolarHBondContact CA-OE2 3.5Å; R558-E562 HydrophobicContact CB-CB 4.26Å; R558-E562 WeakPolarHBondContact CB-OE2 3.42Å; R558-V563 HydrophobicContact CB-CG2 4.08Å; R558-D566 IonicContact CZ-OD2 3.73Å; R558-D566 IonicContact NH1-OD2 3.63Å; R558-D566 PolarHBondContact NH1-OD2 3.03Å
559	S	45.4	Very low	43.8	Very low	50 Å²	50	112.4 Å²	112.4	35%	0.35	59%	0.591	S	S	.	*			trans	-69.6	157.8	174.5	82.5	0	0	0	0	110.9	D561 E562 V563	S559-D561 PolarHBondContact O-N 3.39Å; S559-D561 PolarHBondContact OG-N 3.19Å; S559-E562 PolarHBondContact N-OE2 2.85Å; S559-E562 PolarHBondContact O-N 3.42Å; S559-E562 PolarHBondContact OG-N 3.38Å; S559-V563 WeakPolarHBondContact O-CG2 3.4Å; S559-V563 PolarHBondContact O-N 3.07Å; S559-V563 VanDerWaalsContact O-N 3.09Å
560	L	37.3	Very low	44.5	Very low	123 Å²	123	110 Å²	110	64%	0.644	58%	0.576	S	S	*	*	H	α-helix	trans	-60.1	-34.4	172.5	-176.8	62.1	0	0	0	110.4	V563 V564	L560-V563 PolarHBondContact O-N 3.35Å; L560-V564 HydrophobicContact CD1-CG2 4.31Å; L560-V564 HydrophobicContact CG-CG2 4.3Å; L560-V564 VanDerWaalsContact O-CB 3.31Å; L560-V564 WeakPolarHBondContact O-CB 3.49Å; L560-V564 VanDerWaalsContact O-CG2 3.23Å; L560-V564 WeakPolarHBondContact O-CG2 3.37Å; L560-V564 PolarHBondContact O-N 3.2Å
561	D	43.6	Very low	44.6	Very low	111 Å²	111	109.6 Å²	109.6	59%	0.594	57%	0.572	S	S	*	*	H	α-helix	trans	-69.1	-36.9	177.6	-49.2	-72.9	0	0	0	112.4	S559 N565	S559-D561 PolarHBondContact O-N 3.39Å; S559-D561 PolarHBondContact OG-N 3.19Å; D561-N565 WeakPolarHBondContact O-CB 3.47Å; D561-N565 PolarHBondContact O-N 3.3Å; D561-N565 PolarHBondContact O-ND2 2.89Å
562	E	53.1	Low	45.7	Very low	101 Å²	101	105.3 Å²	105.3	47%	0.472	56%	0.561	S	S	.	*	H	α-helix	trans	-62.3	-47.3	170.4	-75.7	178.7	126.8	0	0	110.9	R558 S559 V564 N565 D566	R558-E562 WeakPolarHBondContact CA-OE2 3.5Å; R558-E562 HydrophobicContact CB-CB 4.26Å; R558-E562 WeakPolarHBondContact CB-OE2 3.42Å; S559-E562 PolarHBondContact N-OE2 2.85Å; S559-E562 PolarHBondContact O-N 3.42Å; S559-E562 PolarHBondContact OG-N 3.38Å; E562-V564 PolarHBondContact O-N 3.42Å; E562-N565 PolarHBondContact O-N 3.43Å; E562-D566 WeakPolarHBondContact O-CB 3.26Å; E562-D566 PolarHBondContact O-N 2.9Å
563	V	47.2	Very low	46.5	Very low	56 Å²	56	104.6 Å²	104.6	34%	0.339	55%	0.545	S	S	.	.	H	α-helix	trans	-65.9	-37.9	179.3	177.1	0	0	0	0	111.5	R558 S559 L560 L567	R558-V563 HydrophobicContact CB-CG2 4.08Å; S559-V563 WeakPolarHBondContact O-CG2 3.4Å; S559-V563 PolarHBondContact O-N 3.07Å; S559-V563 VanDerWaalsContact O-N 3.09Å; L560-V563 PolarHBondContact O-N 3.35Å; V563-L567 WeakPolarHBondContact O-CB 3.24Å; V563-L567 PolarHBondContact O-N 3.1Å
564	V	47.6	Very low	47	Very low	78 Å²	78	105.7 Å²	105.7	47%	0.473	54%	0.54	S	S	.	.	H	α-helix	trans	-69.5	-37	174.3	167.5	0	0	0	0	111.2	L560 E562 L567 S568	L560-V564 HydrophobicContact CD1-CG2 4.31Å; L560-V564 HydrophobicContact CG-CG2 4.3Å; L560-V564 VanDerWaalsContact O-CB 3.31Å; L560-V564 WeakPolarHBondContact O-CB 3.49Å; L560-V564 VanDerWaalsContact O-CG2 3.23Å; L560-V564 WeakPolarHBondContact O-CG2 3.37Å; L560-V564 PolarHBondContact O-N 3.2Å; E562-V564 PolarHBondContact O-N 3.42Å; V564-L567 PolarHBondContact O-N 3.48Å; V564-S568 VanDerWaalsContact O-CB 3.29Å; V564-S568 WeakPolarHBondContact O-CB 3.39Å; V564-S568 PolarHBondContact O-N 3.48Å
565	N	56.2	Low	47.6	Very low	100 Å²	100	110 Å²	110	54%	0.535	53%	0.53	S	S	.	.	H	α-helix	trans	-68.1	-49.1	174.6	-78.8	-47	0	0	0	111.4	D561 E562 L567 S568 E569	D561-N565 WeakPolarHBondContact O-CB 3.47Å; D561-N565 PolarHBondContact O-N 3.3Å; D561-N565 PolarHBondContact O-ND2 2.89Å; E562-N565 PolarHBondContact O-N 3.43Å; N565-L567 VanDerWaalsContact C-N 3.28Å; N565-L567 PolarHBondContact O-N 2.79Å; N565-S568 CarbonylContact O-C 3.59Å; N565-S568 PolarHBondContact O-N 3.23Å; N565-S568 VanDerWaalsContact O-N 3.1Å; N565-S568 PolarHBondContact O-OG 3Å; N565-E569 WeakPolarHBondContact O-CB 3.28Å; N565-E569 PolarHBondContact O-N 2.9Å
566	D	51.6	Low	47.8	Very low	74 Å²	74	108.5 Å²	108.5	40%	0.396	52%	0.517	S	S	.	.	H	α-helix	trans	-54.3	-43.9	171.8	-85.6	-22.7	0	0	0	111.2	R558 E562 E569 T570	R558-D566 IonicContact CZ-OD2 3.73Å; R558-D566 IonicContact NH1-OD2 3.63Å; R558-D566 PolarHBondContact NH1-OD2 3.03Å; E562-D566 WeakPolarHBondContact O-CB 3.26Å; E562-D566 PolarHBondContact O-N 2.9Å; D566-E569 PolarHBondContact O-N 3.04Å; D566-T570 WeakPolarHBondContact O-CB 3.37Å; D566-T570 VanDerWaalsContact O-CG2 3.27Å; D566-T570 WeakPolarHBondContact O-CG2 3.48Å; D566-T570 PolarHBondContact O-N 2.88Å; D566-T570 PolarHBondContact O-OG1 3.46Å
567	L	46	Very low	47.5	Very low	95 Å²	95	103.2 Å²	103.2	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-67.5	-40.9	176.9	-168.3	65.1	0	0	0	111.3	V563 V564 N565 T570 Q571	V563-L567 WeakPolarHBondContact O-CB 3.24Å; V563-L567 PolarHBondContact O-N 3.1Å; V564-L567 PolarHBondContact O-N 3.48Å; N565-L567 VanDerWaalsContact C-N 3.28Å; N565-L567 PolarHBondContact O-N 2.79Å; L567-T570 WeakPolarHBondContact CA-OG1 3.44Å; L567-T570 PolarHBondContact O-OG1 3.16Å; L567-T570 VanDerWaalsContact O-OG1 3.11Å; L567-Q571 VanDerWaalsContact O-CB 3.22Å; L567-Q571 WeakPolarHBondContact O-CB 3.48Å; L567-Q571 WeakPolarHBondContact O-CG 3.45Å; L567-Q571 PolarHBondContact O-N 2.71Å
568	S	47.7	Very low	47.8	Very low	52 Å²	52	101.1 Å²	101.1	36%	0.364	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-40.4	175.6	84.6	0	0	0	0	111.7	V564 N565 Q571 L572	V564-S568 VanDerWaalsContact O-CB 3.29Å; V564-S568 WeakPolarHBondContact O-CB 3.39Å; V564-S568 PolarHBondContact O-N 3.48Å; N565-S568 CarbonylContact O-C 3.59Å; N565-S568 PolarHBondContact O-N 3.23Å; N565-S568 VanDerWaalsContact O-N 3.1Å; N565-S568 PolarHBondContact O-OG 3Å; S568-Q571 CarbonylContact O-C 3.57Å; S568-Q571 PolarHBondContact O-N 3.03Å; S568-L572 VanDerWaalsContact O-CB 3.31Å; S568-L572 WeakPolarHBondContact O-CB 3.41Å; S568-L572 WeakPolarHBondContact O-CG 3.26Å; S568-L572 PolarHBondContact O-N 3.48Å
569	E	56.1	Low	48	Very low	76 Å²	76	101.2 Å²	101.2	36%	0.355	49%	0.49	S	S	.	.	H	α-helix	trans	-78.7	-36.1	-174.6	-143.7	-105.5	132.7	0	0	110.5	N565 D566 L572 K573 R576	N565-E569 WeakPolarHBondContact O-CB 3.28Å; N565-E569 PolarHBondContact O-N 2.9Å; D566-E569 PolarHBondContact O-N 3.04Å; E569-L572 CarbonylContact O-C 3.59Å; E569-L572 PolarHBondContact O-N 3.45Å; E569-K573 WeakPolarHBondContact O-CB 3.44Å; E569-K573 WeakPolarHBondContact O-CD 3.38Å; E569-K573 VanDerWaalsContact O-CG 3.24Å; E569-K573 WeakPolarHBondContact O-CG 3.4Å; E569-K573 PolarHBondContact O-N 3.14Å; E569-K573 WeakPolarHBondContact OE1-CE 3.35Å; E569-K573 IonicContact OE1-NZ 3.89Å; E569-K573 PolarHBondContact OE1-NZ 3.44Å; E569-K573 WeakPolarHBondContact OE2-CE 3.1Å; E569-K573 IonicContact OE2-NZ 3.53Å; E569-K573 PolarHBondContact OE2-NZ 3.4Å; E569-R576 IonicContact OE1-NH2 3.71Å
570	T	53.8	Low	48.2	Very low	60 Å²	60	104.7 Å²	104.7	37%	0.368	50%	0.501	S	S	.	.	H	α-helix	trans	-68.4	-34.3	168.1	57.1	0	0	0	0	112.6	D566 L567 K573 R574	D566-T570 WeakPolarHBondContact O-CB 3.37Å; D566-T570 VanDerWaalsContact O-CG2 3.27Å; D566-T570 WeakPolarHBondContact O-CG2 3.48Å; D566-T570 PolarHBondContact O-N 2.88Å; D566-T570 PolarHBondContact O-OG1 3.46Å; L567-T570 WeakPolarHBondContact CA-OG1 3.44Å; L567-T570 PolarHBondContact O-OG1 3.16Å; L567-T570 VanDerWaalsContact O-OG1 3.11Å; T570-K573 PolarHBondContact O-N 3.11Å; T570-R574 WeakPolarHBondContact O-CB 3.42Å; T570-R574 PolarHBondContact O-N 3.08Å
571	Q	46.8	Very low	48.8	Very low	90 Å²	90	100 Å²	100	42%	0.421	48%	0.476	S	S	.	.	H	α-helix	trans	-70.5	-34.2	170.7	-70.5	-72.7	16.2	0	0	112.1	L567 S568 R574 R575	L567-Q571 VanDerWaalsContact O-CB 3.22Å; L567-Q571 WeakPolarHBondContact O-CB 3.48Å; L567-Q571 WeakPolarHBondContact O-CG 3.45Å; L567-Q571 PolarHBondContact O-N 2.71Å; S568-Q571 CarbonylContact O-C 3.57Å; S568-Q571 PolarHBondContact O-N 3.03Å; Q571-R574 WeakPolarHBondContact O-CB 3.44Å; Q571-R574 PolarHBondContact O-N 3.01Å; Q571-R575 WeakPolarHBondContact O-CB 3.5Å; Q571-R575 PolarHBondContact O-N 3.34Å
572	L	56.1	Low	49.2	Very low	87 Å²	87	99.8 Å²	99.8	46%	0.455	47%	0.47	S	S	.	.	H	α-helix	trans	-72.2	-32.8	172.5	-76.3	166.1	0	0	0	112.3	S568 E569 R576	S568-L572 VanDerWaalsContact O-CB 3.31Å; S568-L572 WeakPolarHBondContact O-CB 3.41Å; S568-L572 WeakPolarHBondContact O-CG 3.26Å; S568-L572 PolarHBondContact O-N 3.48Å; E569-L572 CarbonylContact O-C 3.59Å; E569-L572 PolarHBondContact O-N 3.45Å; L572-R576 WeakPolarHBondContact O-CB 3.31Å; L572-R576 VanDerWaalsContact O-CG 3.29Å; L572-R576 WeakPolarHBondContact O-CG 3.31Å; L572-R576 PolarHBondContact O-N 3.05Å; L572-R576 PolarHBondContact O-NE 2.86Å
573	K	55.2	Low	49.3	Very low	107 Å²	107	97.5 Å²	97.5	47%	0.465	46%	0.462	S	S	.	.	H	α-helix	trans	-66.6	-43.9	168.2	-76.8	160.7	168	160.6	0	110.3	E569 T570 R576 S577	E569-K573 WeakPolarHBondContact O-CB 3.44Å; E569-K573 WeakPolarHBondContact O-CD 3.38Å; E569-K573 VanDerWaalsContact O-CG 3.24Å; E569-K573 WeakPolarHBondContact O-CG 3.4Å; E569-K573 PolarHBondContact O-N 3.14Å; E569-K573 WeakPolarHBondContact OE1-CE 3.35Å; E569-K573 IonicContact OE1-NZ 3.89Å; E569-K573 PolarHBondContact OE1-NZ 3.44Å; E569-K573 WeakPolarHBondContact OE2-CE 3.1Å; E569-K573 IonicContact OE2-NZ 3.53Å; E569-K573 PolarHBondContact OE2-NZ 3.4Å; T570-K573 PolarHBondContact O-N 3.11Å; K573-R576 PolarHBondContact O-N 3.43Å; K573-S577 WeakPolarHBondContact O-CB 3.49Å; K573-S577 PolarHBondContact O-N 3.19Å
574	R	46.3	Very low	49.5	Very low	146 Å²	146	97.2 Å²	97.2	55%	0.551	46%	0.459	S	S	*	.	H	α-helix	trans	-57.8	-50.1	170.6	-117.4	176.8	-72.1	-162.2	-1	111.8	T570 Q571 R576 S577 W578	T570-R574 WeakPolarHBondContact O-CB 3.42Å; T570-R574 PolarHBondContact O-N 3.08Å; Q571-R574 WeakPolarHBondContact O-CB 3.44Å; Q571-R574 PolarHBondContact O-N 3.01Å; R574-R576 PolarHBondContact O-N 2.96Å; R574-S577 PolarHBondContact O-N 3.37Å; R574-W578 WeakPolarHBondContact O-CB 3.36Å; R574-W578 PolarHBondContact O-N 3.13Å
575	R	43.5	Very low	49.8	Very low	178 Å²	178	103.4 Å²	103.4	67%	0.672	48%	0.483	S	S	*	.	H	α-helix	trans	-62	-37.8	176.7	-103.3	-175.7	148	-150.3	-4.6	113.1	Q571 K579	Q571-R575 WeakPolarHBondContact O-CB 3.5Å; Q571-R575 PolarHBondContact O-N 3.34Å; R575-K579 VanDerWaalsContact O-CB 3.3Å; R575-K579 WeakPolarHBondContact O-CB 3.41Å; R575-K579 WeakPolarHBondContact O-CG 3.48Å; R575-K579 PolarHBondContact O-N 2.94Å
576	R	43.6	Very low	49.8	Very low	145 Å²	145	105 Å²	105	55%	0.547	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-45.5	174	-79.9	178	-81.1	-169.4	1.1	111.3	E569 L572 K573 R574 K579 Q580	E569-R576 IonicContact OE1-NH2 3.71Å; L572-R576 WeakPolarHBondContact O-CB 3.31Å; L572-R576 VanDerWaalsContact O-CG 3.29Å; L572-R576 WeakPolarHBondContact O-CG 3.31Å; L572-R576 PolarHBondContact O-N 3.05Å; L572-R576 PolarHBondContact O-NE 2.86Å; K573-R576 PolarHBondContact O-N 3.43Å; R574-R576 PolarHBondContact O-N 2.96Å; R576-K579 PolarHBondContact O-N 2.82Å; R576-Q580 PolarHBondContact O-N 2.84Å; R576-Q580 VanDerWaalsContact O-N 3.12Å
577	S	38.2	Very low	50.2	Low	65 Å²	65	103.6 Å²	103.6	46%	0.455	49%	0.489	S	S	.	.	H	α-helix	trans	-60.6	-47.2	173.7	-173.6	0	0	0	0	112.2	K573 R574 K579 Q580 H581	K573-S577 WeakPolarHBondContact O-CB 3.49Å; K573-S577 PolarHBondContact O-N 3.19Å; R574-S577 PolarHBondContact O-N 3.37Å; S577-K579 PolarHBondContact O-N 2.83Å; S577-Q580 CarbonylContact O-C 3.49Å; S577-Q580 WeakPolarHBondContact O-CA 3.17Å; S577-Q580 WeakPolarHBondContact O-CB 3.48Å; S577-Q580 PolarHBondContact O-N 3.17Å; S577-H581 WeakPolarHBondContact O-CB 3.34Å; S577-H581 PolarHBondContact O-CD2 3.46Å; S577-H581 PolarHBondContact O-N 3.4Å
578	W	45.7	Very low	51.4	Low	171 Å²	171	100.9 Å²	100.9	65%	0.648	48%	0.475	S	S	*	.	H	α-helix	trans	-68.7	-34.5	-179.9	-152.4	84.5	0	0	0	112.7	R574 Q580 H581 K582	R574-W578 WeakPolarHBondContact O-CB 3.36Å; R574-W578 PolarHBondContact O-N 3.13Å; W578-Q580 PolarHBondContact O-N 2.94Å; W578-H581 CarbonylContact O-C 2.98Å; W578-H581 PolarHBondContact O-N 3.49Å; W578-H581 VanDerWaalsContact O-O 3.04Å; W578-K582 PolarHBondContact O-N 2.65Å
579	K	47.3	Very low	52.5	Low	161 Å²	161	101.1 Å²	101.1	70%	0.7	47%	0.469	S	S	*	.	H	α-helix	trans	-63.8	-28.5	168	-82.2	-170.6	172.5	-165.2	0	113	R575 R576 S577	R575-K579 VanDerWaalsContact O-CB 3.3Å; R575-K579 WeakPolarHBondContact O-CB 3.41Å; R575-K579 WeakPolarHBondContact O-CG 3.48Å; R575-K579 PolarHBondContact O-N 2.94Å; R576-K579 PolarHBondContact O-N 2.82Å; S577-K579 PolarHBondContact O-N 2.83Å
580	Q	50.1	Low	53.4	Low	122 Å²	122	98 Å²	98	57%	0.57	46%	0.456	S	S	*	.	H	α-helix	trans	-85.8	-16.1	176	-163.1	148.7	-9.3	0	0	112.7	R576 S577 W578 K608	R576-Q580 PolarHBondContact O-N 2.84Å; R576-Q580 VanDerWaalsContact O-N 3.12Å; S577-Q580 CarbonylContact O-C 3.49Å; S577-Q580 WeakPolarHBondContact O-CA 3.17Å; S577-Q580 WeakPolarHBondContact O-CB 3.48Å; S577-Q580 PolarHBondContact O-N 3.17Å; W578-Q580 PolarHBondContact O-N 2.94Å; Q580-K608 PolarHBondContact O-NZ 3Å
581	H	49.2	Very low	54.5	Low	24 Å²	24	95.5 Å²	95.5	11%	0.111	44%	0.441	C	S	.	.			trans	-134.6	72.1	-177.3	-56.6	-35.6	0	0	0	110.1	S577 W578 V583 Y589 Q601	S577-H581 WeakPolarHBondContact O-CB 3.34Å; S577-H581 PolarHBondContact O-CD2 3.46Å; S577-H581 PolarHBondContact O-N 3.4Å; W578-H581 CarbonylContact O-C 2.98Å; W578-H581 PolarHBondContact O-N 3.49Å; W578-H581 VanDerWaalsContact O-O 3.04Å; H581-V583 HydrophobicContact CB-CG2 4.43Å; H581-V583 PolarHBondContact O-N 3.32Å; H581-Y589 HydrophobicContact CB-CD1 3.88Å; H581-Y589 HydrophobicContact CB-CE1 3.94Å; H581-Y589 AromaticContact CG-CE1 3.96Å; H581-Q601 VanDerWaalsContact CE1-CG 3.44Å; H581-Q601 WeakPolarHBondContact CE1-CG 3.36Å; H581-Q601 PolarHBondContact CE1-NE2 2.51Å; H581-Q601 PolarHBondContact NE2-NE2 2.85Å
582	K	51.9	Low	55.7	Low	108 Å²	108	96 Å²	96	47%	0.47	45%	0.446	S	S	.	.			trans	-62.1	104.5	163	-171.2	-172.2	-177.9	-132	0	107.3	W578 D584 A590	W578-K582 PolarHBondContact O-N 2.65Å; K582-D584 WeakPolarHBondContact CE-OD1 3.26Å; K582-D584 IonicContact NZ-OD1 3.19Å; K582-D584 PolarHBondContact NZ-OD1 3.08Å; K582-D584 IonicContact NZ-OD2 2.74Å; K582-A590 HydrophobicContact CB-CB 4.39Å; K582-A590 HydrophobicContact CD-CB 4.27Å; K582-A590 PolarHBondContact O-N 3.47Å
583	V	55.7	Low	56.1	Low	53 Å²	53	98.5 Å²	98.5	32%	0.321	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.5	175.4	176.9	0	0	0	0	106.9	H581 L588 Y589	H581-V583 HydrophobicContact CB-CG2 4.43Å; H581-V583 PolarHBondContact O-N 3.32Å; V583-L588 WeakPolarHBondContact CA-O 3.32Å; V583-Y589 HydrophobicContact CG2-CD1 3.9Å; V583-Y589 HydrophobicContact CG2-CE1 3.92Å; V583-Y589 HydrophobicContact CG2-CG 4.38Å
584	D	50.6	Low	57	Low	49 Å²	49	94.6 Å²	94.6	26%	0.262	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	162	171.9	-55.8	-53.2	0	0	0	109.3	K582 E586 G587 L588 A590	K582-D584 WeakPolarHBondContact CE-OD1 3.26Å; K582-D584 IonicContact NZ-OD1 3.19Å; K582-D584 PolarHBondContact NZ-OD1 3.08Å; K582-D584 IonicContact NZ-OD2 2.74Å; D584-E586 PolarHBondContact O-N 3.42Å; D584-G587 PolarHBondContact O-N 3.18Å; D584-L588 PolarHBondContact N-O 3.07Å; D584-A590 WeakPolarHBondContact OD2-CB 3.44Å
585	E	53.4	Low	58.1	Low	209 Å²	209	95.8 Å²	95.8	98%	0.977	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.1	-163.7	-60.2	-175.6	151.9	0	0	115.8	G587	E585-G587 PolarHBondContact O-N 3.19Å; E585-G587 VanDerWaalsContact O-N 3.14Å
586	E	56.7	Low	59.6	Low	134 Å²	134	91.8 Å²	91.8	63%	0.626	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	3.2	170.7	-66.2	-168.2	162.5	0	0	113.7	D584 L588	D584-E586 PolarHBondContact O-N 3.42Å; E586-L588 VanDerWaalsContact C-N 3.34Å; E586-L588 HydrophobicContact CB-CD1 3.95Å; E586-L588 HydrophobicContact CB-CG 3.88Å; E586-L588 WeakPolarHBondContact OE2-CD1 3.46Å
587	G	60.9	Low	61.3	Low	43 Å²	43	89.6 Å²	89.6	44%	0.443	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	22.6	-176.7	0	0	0	0	0	113.5	D584 E585	D584-G587 PolarHBondContact O-N 3.18Å; E585-G587 PolarHBondContact O-N 3.19Å; E585-G587 VanDerWaalsContact O-N 3.14Å
588	L	70.5	Confident	63.1	Low	39 Å²	39	88.7 Å²	88.7	20%	0.204	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137	-172.7	-56.9	-179.4	0	0	0	111.9	V583 D584 E586 A590 M597	V583-L588 WeakPolarHBondContact CA-O 3.32Å; D584-L588 PolarHBondContact N-O 3.07Å; E586-L588 VanDerWaalsContact C-N 3.34Å; E586-L588 HydrophobicContact CB-CD1 3.95Å; E586-L588 HydrophobicContact CB-CG 3.88Å; E586-L588 WeakPolarHBondContact OE2-CD1 3.46Å; L588-A590 PolarHBondContact O-N 3.5Å; L588-M597 HydrophobicContact CB-CB 4.05Å; L588-M597 HydrophobicContact CB-SD 4.34Å; L588-M597 HydrophobicContact CD1-CB 4.05Å; L588-M597 HydrophobicContact CD1-CE 4.14Å; L588-M597 HydrophobicContact CD1-SD 3.99Å
589	Y	71.2	Confident	64.6	Low	56 Å²	56	83.2 Å²	83.2	22%	0.22	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	109.4	179.4	-62.3	-98.9	0	0	0	110.4	H581 V583 F598 Q601	H581-Y589 HydrophobicContact CB-CD1 3.88Å; H581-Y589 HydrophobicContact CB-CE1 3.94Å; H581-Y589 AromaticContact CG-CE1 3.96Å; V583-Y589 HydrophobicContact CG2-CD1 3.9Å; V583-Y589 HydrophobicContact CG2-CE1 3.92Å; V583-Y589 HydrophobicContact CG2-CG 4.38Å; Y589-F598 WeakPolarHBondContact CB-O 3.03Å; Y589-F598 WeakPolarHBondContact CD2-O 3.04Å; Y589-F598 PolarHBondContact N-O 2.85Å; Y589-F598 PolarHBondContact O-N 3.16Å; Y589-Q601 HydrophobicContact CD1-CB 4.05Å; Y589-Q601 VanDerWaalsContact CD2-N 3.35Å; Y589-Q601 HydrophobicContact CE1-CB 3.6Å; Y589-Q601 HydrophobicContact CE1-CG 4.17Å; Y589-Q601 HydrophobicContact CE2-CB 4.23Å; Y589-Q601 VanDerWaalsContact CE2-N 3.31Å
590	A	74	Confident	66.1	Low	10 Å²	10	82.2 Å²	82.2	8%	0.083	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	160.8	178.7	0	0	0	0	0	113.2	K582 D584 L588 L604	K582-A590 HydrophobicContact CB-CB 4.39Å; K582-A590 HydrophobicContact CD-CB 4.27Å; K582-A590 PolarHBondContact O-N 3.47Å; D584-A590 WeakPolarHBondContact OD2-CB 3.44Å; L588-A590 PolarHBondContact O-N 3.5Å; A590-L604 VanDerWaalsContact O-CD1 3.23Å; A590-L604 WeakPolarHBondContact O-CD1 3.25Å; A590-L604 WeakPolarHBondContact O-CD2 3.3Å
591	C	77.5	Confident	67.4	Low	9 Å²	9	80.7 Å²	80.7	6%	0.061	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	116.3	180	155.1	0	0	0	0	110.9	Q593 C594 K596 F598 L604 H607	C591-Q593 PolarHBondContact O-N 3.14Å; C591-C594 CarbonylContact C-O 3.47Å; C591-C594 WeakPolarHBondContact CA-O 3.41Å; C591-C594 HydrophobicContact CB-CB 4.31Å; C591-C594 WeakPolarHBondContact CB-O 3.37Å; C591-C594 WeakPolarHBondContact CB-SG 3.35Å; C591-C594 CarbonylContact O-C 3.39Å; C591-C594 PolarHBondContact O-N 2.75Å; C591-C594 VanDerWaalsContact SG-CA 3.59Å; C591-C594 WeakPolarHBondContact SG-CB 3.29Å; C591-C594 PolarHBondContact SG-N 2.87Å; C591-C594 PolarHBondContact SG-O 3.47Å; C591-C594 VanDerWaalsContact SG-O 3.34Å; C591-C594 CovalentContact SG-SG 2.06Å; C591-C594 PolarHBondContact SG-SG 2.92Å; C591-K596 PolarHBondContact N-O 2.94Å; C591-F598 HydrophobicContact CB-CE2 4.42Å; C591-L604 HydrophobicContact CB-CD1 3.86Å; C591-H607 VanDerWaalsContact SG-CD2 3.56Å; C591-H607 PolarHBondContact SG-NE2 2.84Å
592	D	71.5	Confident	68.8	Low	99 Å²	99	83.4 Å²	83.4	53%	0.529	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	0.2	-176.1	3.5	-53.5	0	0	0	115.1	K608	D592-K608 WeakPolarHBondContact OD1-CE 3.44Å; D592-K608 IonicContact OD1-NZ 2.79Å; D592-K608 PolarHBondContact OD1-NZ 3.18Å; D592-K608 VanDerWaalsContact OD2-CE 3.28Å; D592-K608 WeakPolarHBondContact OD2-CE 3.47Å; D592-K608 IonicContact OD2-NZ 3.52Å; D592-K608 PolarHBondContact OD2-NZ 3.4Å
593	Q	65.9	Low	70	Confident	140 Å²	140	79.6 Å²	79.6	65%	0.654	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	8.7	173.1	-62.8	-170.1	11.2	0	0	113	C591 H611	C591-Q593 PolarHBondContact O-N 3.14Å; Q593-H611 VanDerWaalsContact CB-ND1 3.26Å; Q593-H611 WeakPolarHBondContact CB-ND1 3.43Å; Q593-H611 PolarHBondContact O-CE1 2.83Å; Q593-H611 VanDerWaalsContact OE1-CB 3.31Å; Q593-H611 PolarHBondContact OE1-ND1 3.17Å
594	C	72.5	Confident	71.1	Confident	25 Å²	25	77.1 Å²	77.1	17%	0.169	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	141.1	-176.9	69.8	0	0	0	0	112.6	C591 K596 H607 H611	C591-C594 CarbonylContact C-O 3.47Å; C591-C594 WeakPolarHBondContact CA-O 3.41Å; C591-C594 HydrophobicContact CB-CB 4.31Å; C591-C594 WeakPolarHBondContact CB-O 3.37Å; C591-C594 WeakPolarHBondContact CB-SG 3.35Å; C591-C594 CarbonylContact O-C 3.39Å; C591-C594 PolarHBondContact O-N 2.75Å; C591-C594 VanDerWaalsContact SG-CA 3.59Å; C591-C594 WeakPolarHBondContact SG-CB 3.29Å; C591-C594 PolarHBondContact SG-N 2.87Å; C591-C594 PolarHBondContact SG-O 3.47Å; C591-C594 VanDerWaalsContact SG-O 3.34Å; C591-C594 CovalentContact SG-SG 2.06Å; C591-C594 PolarHBondContact SG-SG 2.92Å; C594-K596 HydrophobicContact CB-CG 4.49Å; C594-K596 PolarHBondContact O-N 3.36Å; C594-H607 PolarHBondContact SG-NE2 3.42Å; C594-H611 PolarHBondContact SG-NE2 3.21Å; C594-H611 VanDerWaalsContact SG-NE2 3.38Å
595	D	71	Confident	72.4	Confident	171 Å²	171	77.2 Å²	77.2	91%	0.914	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	31.5	-178	-44.9	-74	0	0	0	114.1	M597	D595-M597 PolarHBondContact O-N 3.48Å
596	K	74.9	Confident	73.4	Confident	94 Å²	94	73.7 Å²	73.7	41%	0.409	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	107.3	171	-65.2	179	179.6	172.4	0	109.5	C591 C594 F598 H607 E610	C591-K596 PolarHBondContact N-O 2.94Å; C594-K596 HydrophobicContact CB-CG 4.49Å; C594-K596 PolarHBondContact O-N 3.36Å; K596-F598 HydrophobicContact CB-CE2 3.59Å; K596-F598 HydrophobicContact CB-CZ 3.77Å; K596-F598 HydrophobicContact CD-CZ 4.07Å; K596-F598 VanDerWaalsContact O-CD2 3.29Å; K596-F598 WeakPolarHBondContact O-CD2 3.19Å; K596-F598 VanDerWaalsContact O-CE2 3.26Å; K596-F598 WeakPolarHBondContact O-CE2 3.23Å; K596-H607 PolarHBondContact NZ-CE1 3.13Å; K596-E610 IonicContact NZ-OE2 2.65Å; K596-E610 PolarHBondContact NZ-OE2 3.43Å
597	M	78.2	Confident	74.5	Confident	99 Å²	99	68 Å²	68	49%	0.488	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	139.2	170.2	-64.7	-173	-68.4	0	0	111.8	L588 D595	L588-M597 HydrophobicContact CB-CB 4.05Å; L588-M597 HydrophobicContact CB-SD 4.34Å; L588-M597 HydrophobicContact CD1-CB 4.05Å; L588-M597 HydrophobicContact CD1-CE 4.14Å; L588-M597 HydrophobicContact CD1-SD 3.99Å; D595-M597 PolarHBondContact O-N 3.48Å
598	F	76.7	Confident	75	Confident	46 Å²	46	68.3 Å²	68.3	20%	0.202	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126	-179.9	-62.2	-85.5	0	0	0	111.7	Y589 C591 K596 K600 L604 H607	Y589-F598 WeakPolarHBondContact CB-O 3.03Å; Y589-F598 WeakPolarHBondContact CD2-O 3.04Å; Y589-F598 PolarHBondContact N-O 2.85Å; Y589-F598 PolarHBondContact O-N 3.16Å; C591-F598 HydrophobicContact CB-CE2 4.42Å; K596-F598 HydrophobicContact CB-CE2 3.59Å; K596-F598 HydrophobicContact CB-CZ 3.77Å; K596-F598 HydrophobicContact CD-CZ 4.07Å; K596-F598 VanDerWaalsContact O-CD2 3.29Å; K596-F598 WeakPolarHBondContact O-CD2 3.19Å; K596-F598 VanDerWaalsContact O-CE2 3.26Å; K596-F598 WeakPolarHBondContact O-CE2 3.23Å; F598-K600 PolarHBondContact O-N 3.45Å; F598-L604 HydrophobicContact CB-CB 4.48Å; F598-L604 HydrophobicContact CD2-CB 4.25Å; F598-L604 HydrophobicContact CD2-CD1 4.14Å; F598-L604 HydrophobicContact CE2-CD1 4.43Å; F598-H607 HydrophobicContact CD2-CB 4.49Å; F598-H607 HydrophobicContact CE1-CB 4.13Å; F598-H607 HydrophobicContact CE2-CB 3.66Å; F598-H607 AromaticContact CE2-CD2 3.63Å; F598-H607 AromaticContact CE2-CG 3.48Å; F598-H607 VanDerWaalsContact CE2-CG 3.48Å; F598-H607 HydrophobicContact CZ-CB 3.45Å; F598-H607 VanDerWaalsContact CZ-CB 3.45Å; F598-H607 AromaticContact CZ-CD2 3.84Å; F598-H607 AromaticContact CZ-CG 3.25Å; F598-H607 AromaticContact CZ-ND1 3.73Å
599	G	78	Confident	75	Confident	56 Å²	56	70.3 Å²	70.3	58%	0.577	36%	0.364	S	S	*	.	S	Bend	trans	-70.9	14.8	177.6	0	0	0	0	0	116.5
600	K	77.3	Confident	74.6	Confident	140 Å²	140	72.7 Å²	72.7	61%	0.609	38%	0.377	S	S	*	.	S	Bend	trans	-153.2	135.2	172.5	-67.4	-163.8	178	-168.1	0	111.2	F598 S602 S603 L604	F598-K600 PolarHBondContact O-N 3.45Å; K600-S602 VanDerWaalsContact C-N 3.26Å; K600-S602 PolarHBondContact O-N 2.91Å; K600-S603 WeakPolarHBondContact O-CA 3.2Å; K600-S603 WeakPolarHBondContact O-CB 3.44Å; K600-S603 PolarHBondContact O-N 3.18Å; K600-L604 PolarHBondContact O-N 3.4Å
601	Q	78.7	Confident	74.4	Confident	91 Å²	91	75.1 Å²	75.1	43%	0.425	39%	0.386	S	S	.	.	H	α-helix	trans	-48.5	-43.5	172.1	-177.9	172.5	-21.2	0	0	113.5	H581 Y589 S603 L604 A605	H581-Q601 VanDerWaalsContact CE1-CG 3.44Å; H581-Q601 WeakPolarHBondContact CE1-CG 3.36Å; H581-Q601 PolarHBondContact CE1-NE2 2.51Å; H581-Q601 PolarHBondContact NE2-NE2 2.85Å; Y589-Q601 HydrophobicContact CD1-CB 4.05Å; Y589-Q601 VanDerWaalsContact CD2-N 3.35Å; Y589-Q601 HydrophobicContact CE1-CB 3.6Å; Y589-Q601 HydrophobicContact CE1-CG 4.17Å; Y589-Q601 HydrophobicContact CE2-CB 4.23Å; Y589-Q601 VanDerWaalsContact CE2-N 3.31Å; Q601-S603 VanDerWaalsContact C-N 3.29Å; Q601-S603 PolarHBondContact O-N 3.35Å; Q601-L604 PolarHBondContact O-N 2.08Å; Q601-A605 WeakPolarHBondContact O-CB 3.48Å; Q601-A605 PolarHBondContact O-N 3.38Å
602	S	78	Confident	73.6	Confident	81 Å²	81	77.8 Å²	77.8	57%	0.566	41%	0.405	S	S	*	.	H	α-helix	trans	-67.5	-26.5	179.4	54	0	0	0	0	113.5	K600 R606	K600-S602 VanDerWaalsContact C-N 3.26Å; K600-S602 PolarHBondContact O-N 2.91Å; S602-R606 WeakPolarHBondContact O-CB 3.27Å; S602-R606 PolarHBondContact O-N 2.48Å
603	S	77.7	Confident	73.1	Confident	28 Å²	28	75.4 Å²	75.4	20%	0.196	40%	0.404	C	S	.	.	H	α-helix	trans	-74.5	-40.1	170.6	-77.3	0	0	0	0	111.8	K600 Q601 R606 H607	K600-S603 WeakPolarHBondContact O-CA 3.2Å; K600-S603 WeakPolarHBondContact O-CB 3.44Å; K600-S603 PolarHBondContact O-N 3.18Å; Q601-S603 VanDerWaalsContact C-N 3.29Å; Q601-S603 PolarHBondContact O-N 3.35Å; S603-R606 PolarHBondContact O-N 3.17Å; S603-R606 PolarHBondContact OG-NH2 3.34Å; S603-R606 VanDerWaalsContact OG-NH2 3.13Å; S603-H607 VanDerWaalsContact O-CB 3.26Å; S603-H607 WeakPolarHBondContact O-CB 3.48Å; S603-H607 PolarHBondContact O-N 2.06Å
604	L	79	Confident	72.9	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.005	40%	0.401	C	S	.	.	H	α-helix	trans	-62	-48.3	172.2	173.2	62.5	0	0	0	111.5	A590 C591 F598 K600 Q601 R606 H607 K608	A590-L604 VanDerWaalsContact O-CD1 3.23Å; A590-L604 WeakPolarHBondContact O-CD1 3.25Å; A590-L604 WeakPolarHBondContact O-CD2 3.3Å; C591-L604 HydrophobicContact CB-CD1 3.86Å; F598-L604 HydrophobicContact CB-CB 4.48Å; F598-L604 HydrophobicContact CD2-CB 4.25Å; F598-L604 HydrophobicContact CD2-CD1 4.14Å; F598-L604 HydrophobicContact CE2-CD1 4.43Å; K600-L604 PolarHBondContact O-N 3.4Å; Q601-L604 PolarHBondContact O-N 2.08Å; L604-R606 VanDerWaalsContact C-N 3.33Å; L604-R606 PolarHBondContact O-N 2.76Å; L604-H607 CarbonylContact O-C 3.54Å; L604-H607 WeakPolarHBondContact O-CA 3.46Å; L604-H607 WeakPolarHBondContact O-CB 3.26Å; L604-H607 PolarHBondContact O-N 3.21Å; L604-K608 HydrophobicContact CD1-CG 4.35Å; L604-K608 PolarHBondContact O-N 3.34Å
605	A	77.3	Confident	72.7	Confident	51 Å²	51	79.5 Å²	79.5	42%	0.421	42%	0.415	S	S	.	.	H	α-helix	trans	-60.1	-43.3	178.5	0	0	0	0	0	111.7	Q601 H607 K608	Q601-A605 WeakPolarHBondContact O-CB 3.48Å; Q601-A605 PolarHBondContact O-N 3.38Å; A605-H607 VanDerWaalsContact C-N 3.3Å; A605-H607 PolarHBondContact O-N 2.92Å; A605-K608 PolarHBondContact O-N 3.49Å
606	R	73.7	Confident	72.8	Confident	135 Å²	135	74.7 Å²	74.7	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-61.8	-36.8	172.3	178.5	175.2	53.5	177.7	-7.8	112.5	S602 S603 L604 Y609 H628	S602-R606 WeakPolarHBondContact O-CB 3.27Å; S602-R606 PolarHBondContact O-N 2.48Å; S603-R606 PolarHBondContact O-N 3.17Å; S603-R606 PolarHBondContact OG-NH2 3.34Å; S603-R606 VanDerWaalsContact OG-NH2 3.13Å; L604-R606 VanDerWaalsContact C-N 3.33Å; L604-R606 PolarHBondContact O-N 2.76Å; R606-Y609 WeakPolarHBondContact O-CD2 3.43Å; R606-Y609 PolarHBondContact O-N 3.43Å; R606-H628 VanDerWaalsContact CG-CE1 3.48Å; R606-H628 WeakPolarHBondContact CG-CE1 3.28Å
607	H	79.3	Confident	72.7	Confident	14 Å²	14	74 Å²	74	7%	0.065	39%	0.389	C	S	.	.	H	α-helix	trans	-71	-31.4	177.5	177.5	62.2	0	0	0	112.8	C591 C594 K596 F598 S603 L604 A605 Y609 E610 H611	C591-H607 VanDerWaalsContact SG-CD2 3.56Å; C591-H607 PolarHBondContact SG-NE2 2.84Å; C594-H607 PolarHBondContact SG-NE2 3.42Å; K596-H607 PolarHBondContact NZ-CE1 3.13Å; F598-H607 HydrophobicContact CD2-CB 4.49Å; F598-H607 HydrophobicContact CE1-CB 4.13Å; F598-H607 HydrophobicContact CE2-CB 3.66Å; F598-H607 AromaticContact CE2-CD2 3.63Å; F598-H607 AromaticContact CE2-CG 3.48Å; F598-H607 VanDerWaalsContact CE2-CG 3.48Å; F598-H607 HydrophobicContact CZ-CB 3.45Å; F598-H607 VanDerWaalsContact CZ-CB 3.45Å; F598-H607 AromaticContact CZ-CD2 3.84Å; F598-H607 AromaticContact CZ-CG 3.25Å; F598-H607 AromaticContact CZ-ND1 3.73Å; S603-H607 VanDerWaalsContact O-CB 3.26Å; S603-H607 WeakPolarHBondContact O-CB 3.48Å; S603-H607 PolarHBondContact O-N 2.06Å; L604-H607 CarbonylContact O-C 3.54Å; L604-H607 WeakPolarHBondContact O-CA 3.46Å; L604-H607 WeakPolarHBondContact O-CB 3.26Å; L604-H607 PolarHBondContact O-N 3.21Å; A605-H607 VanDerWaalsContact C-N 3.3Å; A605-H607 PolarHBondContact O-N 2.92Å; H607-Y609 PolarHBondContact O-N 2.97Å; H607-Y609 VanDerWaalsContact O-N 3.1Å; H607-E610 WeakPolarHBondContact CE1-CB 3.42Å; H607-E610 IonicContact CE1-OE2 3.21Å; H607-E610 PolarHBondContact CE1-OE2 3.13Å; H607-E610 IonicContact ND1-OE2 2.89Å; H607-E610 PolarHBondContact ND1-OE2 2.98Å; H607-E610 VanDerWaalsContact O-CB 3.31Å; H607-E610 WeakPolarHBondContact O-CB 3.44Å; H607-E610 PolarHBondContact O-N 2.69Å; H607-H611 AromaticContact CD2-CD2 3.97Å; H607-H611 AromaticContact CE1-CD2 3.71Å; H607-H611 AromaticContact CE1-NE2 3.44Å; H607-H611 PolarHBondContact CE1-NE2 3.29Å; H607-H611 AromaticContact NE2-CD2 2.48Å; H607-H611 PolarHBondContact NE2-CD2 2.62Å; H607-H611 AromaticContact NE2-CE1 3.35Å; H607-H611 PolarHBondContact NE2-CE1 2.8Å; H607-H611 AromaticContact NE2-CG 3.77Å; H607-H611 AromaticContact NE2-NE2 2.08Å; H607-H611 PolarHBondContact NE2-NE2 3Å
608	K	72.8	Confident	72.7	Confident	50 Å²	50	76.2 Å²	76.2	22%	0.217	40%	0.395	C	S	.	.	H	α-helix	trans	-61.7	-18.5	175.4	-72.4	-177.9	179.7	-173.5	0	113.2	Q580 D592 L604 A605 E610 H611 S612	Q580-K608 PolarHBondContact O-NZ 3Å; D592-K608 WeakPolarHBondContact OD1-CE 3.44Å; D592-K608 IonicContact OD1-NZ 2.79Å; D592-K608 PolarHBondContact OD1-NZ 3.18Å; D592-K608 VanDerWaalsContact OD2-CE 3.28Å; D592-K608 WeakPolarHBondContact OD2-CE 3.47Å; D592-K608 IonicContact OD2-NZ 3.52Å; D592-K608 PolarHBondContact OD2-NZ 3.4Å; L604-K608 HydrophobicContact CD1-CG 4.35Å; L604-K608 PolarHBondContact O-N 3.34Å; A605-K608 PolarHBondContact O-N 3.49Å; K608-E610 VanDerWaalsContact C-N 3.31Å; K608-E610 PolarHBondContact O-N 2.98Å; K608-H611 PolarHBondContact O-N 3.02Å; K608-S612 PolarHBondContact O-N 2.96Å; K608-S612 PolarHBondContact O-OG 3.18Å
609	Y	69.5	Low	73	Confident	80 Å²	80	74.4 Å²	74.4	31%	0.314	39%	0.388	S	S	.	.	H	α-helix	trans	-75.1	-8.3	166.9	-57.1	-64.4	0	0	0	114.9	R606 H607 H611 P616 K627	R606-Y609 WeakPolarHBondContact O-CD2 3.43Å; R606-Y609 PolarHBondContact O-N 3.43Å; H607-Y609 PolarHBondContact O-N 2.97Å; H607-Y609 VanDerWaalsContact O-N 3.1Å; Y609-H611 VanDerWaalsContact C-N 3.34Å; Y609-P616 HydrophobicContact CE1-CG 4.36Å; Y609-K627 WeakPolarHBondContact O-CE 3.44Å; Y609-K627 PolarHBondContact O-NZ 2.94Å
610	E	64.3	Low	73.1	Confident	107 Å²	107	77.1 Å²	77.1	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-71.1	-35.2	162.7	-59.7	-149.5	127.7	0	0	111.4	K596 H607 K608	K596-E610 IonicContact NZ-OE2 2.65Å; K596-E610 PolarHBondContact NZ-OE2 3.43Å; H607-E610 WeakPolarHBondContact CE1-CB 3.42Å; H607-E610 IonicContact CE1-OE2 3.21Å; H607-E610 PolarHBondContact CE1-OE2 3.13Å; H607-E610 IonicContact ND1-OE2 2.89Å; H607-E610 PolarHBondContact ND1-OE2 2.98Å; H607-E610 VanDerWaalsContact O-CB 3.31Å; H607-E610 WeakPolarHBondContact O-CB 3.44Å; H607-E610 PolarHBondContact O-N 2.69Å; K608-E610 VanDerWaalsContact C-N 3.31Å; K608-E610 PolarHBondContact O-N 2.98Å
611	H	69.3	Low	73.1	Confident	61 Å²	61	75.2 Å²	75.2	28%	0.282	39%	0.389	S	S	.	.	H	α-helix	trans	-88.7	-47.2	-173	-75.8	-88.8	0	0	0	114	Q593 C594 H607 K608 Y609 G613	Q593-H611 VanDerWaalsContact CB-ND1 3.26Å; Q593-H611 WeakPolarHBondContact CB-ND1 3.43Å; Q593-H611 PolarHBondContact O-CE1 2.83Å; Q593-H611 VanDerWaalsContact OE1-CB 3.31Å; Q593-H611 PolarHBondContact OE1-ND1 3.17Å; C594-H611 PolarHBondContact SG-NE2 3.21Å; C594-H611 VanDerWaalsContact SG-NE2 3.38Å; H607-H611 AromaticContact CD2-CD2 3.97Å; H607-H611 AromaticContact CE1-CD2 3.71Å; H607-H611 AromaticContact CE1-NE2 3.44Å; H607-H611 PolarHBondContact CE1-NE2 3.29Å; H607-H611 AromaticContact NE2-CD2 2.48Å; H607-H611 PolarHBondContact NE2-CD2 2.62Å; H607-H611 AromaticContact NE2-CE1 3.35Å; H607-H611 PolarHBondContact NE2-CE1 2.8Å; H607-H611 AromaticContact NE2-CG 3.77Å; H607-H611 AromaticContact NE2-NE2 2.08Å; H607-H611 PolarHBondContact NE2-NE2 3Å; K608-H611 PolarHBondContact O-N 3.02Å; Y609-H611 VanDerWaalsContact C-N 3.34Å; H611-G613 PolarHBondContact O-N 2.99Å; H611-G613 VanDerWaalsContact O-N 3.14Å
612	S	60.8	Low	73.2	Confident	64 Å²	64	72.2 Å²	72.2	45%	0.448	38%	0.378	S	S	.	.	S	Bend	trans	-72.6	-6	-175.4	67.4	0	0	0	0	114.5	K608 Q614	K608-S612 PolarHBondContact O-N 2.96Å; K608-S612 PolarHBondContact O-OG 3.18Å; S612-Q614 PolarHBondContact O-N 3.38Å
613	G	60.6	Low	73.2	Confident	49 Å²	49	76.2 Å²	76.2	51%	0.505	39%	0.393	S	S	.	.			trans	66.1	-16.2	-172.8	0	0	0	0	0	115.2	H611 R615	H611-G613 PolarHBondContact O-N 2.99Å; H611-G613 VanDerWaalsContact O-N 3.14Å; G613-R615 PolarHBondContact O-N 3.45Å
614	Q	61.4	Low	73.3	Confident	128 Å²	128	80.7 Å²	80.7	60%	0.598	41%	0.409	S	S	*	.			trans	-63.8	131.1	-171.8	-67.7	-172.4	-7.5	0	0	112.2	S612 P616	S612-Q614 PolarHBondContact O-N 3.38Å; Q614-P616 WeakPolarHBondContact O-CD 3.5Å
615	R	67.9	Low	73.4	Confident	124 Å²	124	82 Å²	82	47%	0.468	42%	0.42	S	S	.	.			trans	-119.2	77.1	178.9	-70.4	160.4	173	-112.2	12	108.3	G613 Y617 A625 F626 K627	G613-R615 PolarHBondContact O-N 3.45Å; R615-Y617 PolarHBondContact O-N 2.96Å; R615-Y617 VanDerWaalsContact O-N 3.11Å; R615-A625 HydrophobicContact CB-CB 3.52Å; R615-A625 WeakPolarHBondContact CD-O 3.47Å; R615-A625 HydrophobicContact CG-CB 4.46Å; R615-A625 PolarHBondContact NH1-O 2.93Å; R615-F626 CarbonylContact C-O 3.44Å; R615-F626 WeakPolarHBondContact CA-O 3.38Å; R615-K627 HydrophobicContact CG-CG 4.08Å
616	P	73.6	Confident	73.4	Confident	69 Å²	69	81.8 Å²	81.8	45%	0.448	41%	0.41	S	S	.	.			trans	-65.1	-18.2	-170	24.3	-33.8	0	0	0	114	Y609 Q614 K618	Y609-P616 HydrophobicContact CE1-CG 4.36Å; Q614-P616 WeakPolarHBondContact O-CD 3.5Å; P616-K618 PolarHBondContact O-N 2.79Å
617	Y	73.2	Confident	73.4	Confident	81 Å²	81	78.5 Å²	78.5	32%	0.318	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-95.4	76.1	-177.2	-56.3	-71.7	0	0	0	111.3	R615 F626 K629	R615-Y617 PolarHBondContact O-N 2.96Å; R615-Y617 VanDerWaalsContact O-N 3.11Å; Y617-F626 WeakPolarHBondContact CB-O 3.47Å; Y617-F626 PolarHBondContact N-O 2.94Å; Y617-F626 PolarHBondContact O-N 3.02Å; Y617-K629 HydrophobicContact CD1-CB 4.02Å; Y617-K629 HydrophobicContact CD1-CG 4.36Å; Y617-K629 HydrophobicContact CE1-CB 3.71Å; Y617-K629 HydrophobicContact CE1-CG 4.17Å; Y617-K629 HydrophobicContact CE2-CB 4.37Å; Y617-K629 HydrophobicContact CG-CB 4.48Å
618	K	77.6	Confident	73.3	Confident	145 Å²	145	80 Å²	80	63%	0.63	41%	0.406	S	S	*	.			trans	-67.3	155.4	168.4	65.1	175.3	-177.4	172.7	0	111.8	P616 L632	P616-K618 PolarHBondContact O-N 2.79Å; K618-L632 WeakPolarHBondContact O-CD1 3.27Å; K618-L632 WeakPolarHBondContact O-CD2 3.46Å
619	C	83.1	Confident	73.7	Confident	7 Å²	7	84.5 Å²	84.5	5%	0.047	43%	0.426	C	S	.	.			trans	-102.1	142.6	171	-173.4	0	0	0	0	110.2	V621 C622 K624 L632 H635	C619-V621 VanDerWaalsContact C-N 3.32Å; C619-C622 CarbonylContact C-O 3.54Å; C619-C622 WeakPolarHBondContact CB-O 3.45Å; C619-K624 PolarHBondContact N-O 3.22Å; C619-L632 HydrophobicContact CB-CD1 3.58Å; C619-H635 VanDerWaalsContact SG-CD2 3.57Å
620	D	79.7	Confident	74.2	Confident	114 Å²	114	85.2 Å²	85.2	61%	0.61	43%	0.432	S	S	*	.	S	Bend	trans	-86.6	-8.3	-173	-36.3	-70.3	0	0	0	112.5	K636	D620-K636 WeakPolarHBondContact OD2-CE 3.44Å; D620-K636 IonicContact OD2-NZ 3.63Å; D620-K636 PolarHBondContact OD2-NZ 3.39Å
621	V	77.7	Confident	75	Confident	99 Å²	99	83.7 Å²	83.7	60%	0.6	42%	0.424	S	S	*	.	S	Bend	trans	-106	-15.8	179.4	-173.4	0	0	0	0	112	C619 H639	C619-V621 VanDerWaalsContact C-N 3.32Å; V621-H639 HydrophobicContact CB-CB 4.49Å; V621-H639 HydrophobicContact CG1-CB 4.21Å
622	C	81.4	Confident	75.6	Confident	29 Å²	29	81.8 Å²	81.8	20%	0.196	42%	0.416	C	S	.	.	S	Bend	trans	-163.6	156.1	166.4	71	0	0	0	0	110.9	C619 K624 H635	C619-C622 CarbonylContact C-O 3.54Å; C619-C622 WeakPolarHBondContact CB-O 3.45Å; C622-K624 PolarHBondContact O-N 2.98Å; C622-H635 PolarHBondContact SG-NE2 3.12Å; C622-H635 VanDerWaalsContact SG-NE2 3.38Å
623	D	77.2	Confident	76.6	Confident	165 Å²	165	81.9 Å²	81.9	88%	0.882	41%	0.414	S	S	*	.	S	Bend	trans	-69.5	19.1	-168.6	-46.6	-81.8	0	0	0	116.1	A625	D623-A625 PolarHBondContact O-N 2.96Å
624	K	79.6	Confident	77.5	Confident	122 Å²	122	81.8 Å²	81.8	53%	0.53	40%	0.4	S	S	.	.			trans	-76.1	106.7	178	-69.1	177.6	-172.9	113.2	0	109.7	C619 C622 F626	C619-K624 PolarHBondContact N-O 3.22Å; C622-K624 PolarHBondContact O-N 2.98Å; K624-F626 HydrophobicContact CB-CE2 3.73Å; K624-F626 HydrophobicContact CB-CZ 3.99Å; K624-F626 VanDerWaalsContact O-CD2 3.26Å; K624-F626 WeakPolarHBondContact O-CD2 3.46Å; K624-F626 WeakPolarHBondContact O-CE2 3.46Å
625	A	81.3	Confident	78.5	Confident	28 Å²	28	76.5 Å²	76.5	23%	0.231	38%	0.376	C	S	.	.			trans	-92.6	134.6	175.2	0	0	0	0	0	112.3	R615 D623	R615-A625 HydrophobicContact CB-CB 3.52Å; R615-A625 WeakPolarHBondContact CD-O 3.47Å; R615-A625 HydrophobicContact CG-CB 4.46Å; R615-A625 PolarHBondContact NH1-O 2.93Å; D623-A625 PolarHBondContact O-N 2.96Å
626	F	77.7	Confident	79.1	Confident	47 Å²	47	74.8 Å²	74.8	21%	0.206	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-116	151.4	-176	-62.6	-92.4	0	0	0	112.1	R615 Y617 K624 H631 L632 H635	R615-F626 CarbonylContact C-O 3.44Å; R615-F626 WeakPolarHBondContact CA-O 3.38Å; Y617-F626 WeakPolarHBondContact CB-O 3.47Å; Y617-F626 PolarHBondContact N-O 2.94Å; Y617-F626 PolarHBondContact O-N 3.02Å; K624-F626 HydrophobicContact CB-CE2 3.73Å; K624-F626 HydrophobicContact CB-CZ 3.99Å; K624-F626 VanDerWaalsContact O-CD2 3.26Å; K624-F626 WeakPolarHBondContact O-CD2 3.46Å; K624-F626 WeakPolarHBondContact O-CE2 3.46Å; F626-H631 HydrophobicContact CB-CB 4.31Å; F626-H631 HydrophobicContact CD1-CB 3.83Å; F626-H631 HydrophobicContact CG-CB 4.3Å; F626-L632 HydrophobicContact CD2-CB 4.32Å; F626-L632 HydrophobicContact CD2-CD1 4.25Å; F626-H635 HydrophobicContact CE1-CB 4.2Å; F626-H635 HydrophobicContact CE2-CB 3.81Å; F626-H635 AromaticContact CE2-CD2 3.26Å; F626-H635 WeakPolarHBondContact CE2-CD2 3.34Å; F626-H635 AromaticContact CE2-CG 3.59Å; F626-H635 HydrophobicContact CZ-CB 3.55Å; F626-H635 AromaticContact CZ-CD2 3.55Å; F626-H635 AromaticContact CZ-CG 3.4Å
627	K	74.4	Confident	79.4	Confident	65 Å²	65	74.4 Å²	74.4	28%	0.283	36%	0.361	S	S	.	.	S	Bend	trans	-76	-20.2	176.1	-68.3	-175.5	174.4	-176.7	0	113.5	Y609 R615	Y609-K627 WeakPolarHBondContact O-CE 3.44Å; Y609-K627 PolarHBondContact O-NZ 2.94Å; R615-K627 HydrophobicContact CG-CG 4.08Å
628	H	76.4	Confident	79.5	Confident	47 Å²	47	75.8 Å²	75.8	22%	0.218	37%	0.373	C	S	.	.	S	Bend	trans	-138.7	141.3	-173.7	-55.4	-26.2	0	0	0	112.5	R606 H630 H631 L632	R606-H628 VanDerWaalsContact CG-CE1 3.48Å; R606-H628 WeakPolarHBondContact CG-CE1 3.28Å; H628-H630 VanDerWaalsContact C-N 3.33Å; H628-H630 AromaticContact CD2-CE1 3.77Å; H628-H630 AromaticContact CG-CE1 3.96Å; H628-H630 PolarHBondContact O-N 3.31Å; H628-H631 AromaticContact CD2-CD2 3.95Å; H628-H631 AromaticContact CD2-NE2 3.95Å; H628-H631 PolarHBondContact O-N 3.39Å; H628-L632 PolarHBondContact O-N 3.26Å
629	K	81.4	Confident	79.6	Confident	143 Å²	143	72.5 Å²	72.5	62%	0.622	36%	0.36	S	S	*	.	H	α-helix	trans	-55.6	-41.5	-178.7	-170.4	174.6	179.8	176.4	0	113.3	Y617 H631 L632 T633	Y617-K629 HydrophobicContact CD1-CB 4.02Å; Y617-K629 HydrophobicContact CD1-CG 4.36Å; Y617-K629 HydrophobicContact CE1-CB 3.71Å; Y617-K629 HydrophobicContact CE1-CG 4.17Å; Y617-K629 HydrophobicContact CE2-CB 4.37Å; Y617-K629 HydrophobicContact CG-CB 4.48Å; K629-H631 PolarHBondContact O-N 3.08Å; K629-L632 WeakPolarHBondContact O-CB 3.34Å; K629-L632 PolarHBondContact O-N 2.88Å; K629-L632 VanDerWaalsContact O-N 3.16Å; K629-T633 PolarHBondContact O-N 3.18Å; K629-T633 PolarHBondContact O-OG1 3.38Å
630	H	79.6	Confident	79.1	Confident	95 Å²	95	75.4 Å²	75.4	44%	0.44	38%	0.381	S	S	.	.	H	α-helix	trans	-65.6	-37.1	-178.6	62.5	-94.1	0	0	0	112.8	H628 L632 T633 E634	H628-H630 VanDerWaalsContact C-N 3.33Å; H628-H630 AromaticContact CD2-CE1 3.77Å; H628-H630 AromaticContact CG-CE1 3.96Å; H628-H630 PolarHBondContact O-N 3.31Å; H630-L632 VanDerWaalsContact C-N 3.32Å; H630-L632 PolarHBondContact O-N 3.45Å; H630-T633 WeakPolarHBondContact O-CB 3.01Å; H630-T633 PolarHBondContact O-N 2.92Å; H630-T633 VanDerWaalsContact O-N 3.17Å; H630-E634 WeakPolarHBondContact O-CB 3.41Å; H630-E634 VanDerWaalsContact O-CG 3.31Å; H630-E634 WeakPolarHBondContact O-CG 3.24Å; H630-E634 PolarHBondContact O-N 3.39Å
631	H	80.4	Confident	78.6	Confident	76 Å²	76	72.1 Å²	72.1	35%	0.352	37%	0.374	S	S	.	.	H	α-helix	trans	-66.5	-33.4	173.3	-66.2	-33.2	0	0	0	112.6	F626 H628 K629 E634 H635	F626-H631 HydrophobicContact CB-CB 4.31Å; F626-H631 HydrophobicContact CD1-CB 3.83Å; F626-H631 HydrophobicContact CG-CB 4.3Å; H628-H631 AromaticContact CD2-CD2 3.95Å; H628-H631 AromaticContact CD2-NE2 3.95Å; H628-H631 PolarHBondContact O-N 3.39Å; K629-H631 PolarHBondContact O-N 3.08Å; H631-E634 IonicContact CE1-OE2 3.53Å; H631-E634 IonicContact ND1-OE2 2.79Å; H631-E634 PolarHBondContact ND1-OE2 2.8Å; H631-H635 WeakPolarHBondContact O-CB 3.11Å; H631-H635 PolarHBondContact O-N 3.27Å
632	L	82.7	Confident	78.3	Confident	21 Å²	21	72.4 Å²	72.4	11%	0.11	37%	0.368	C	S	.	.	H	α-helix	trans	-65.4	-42.2	170.1	172.6	62.9	0	0	0	111.1	K618 C619 F626 H628 K629 H630 H635 K636	K618-L632 WeakPolarHBondContact O-CD1 3.27Å; K618-L632 WeakPolarHBondContact O-CD2 3.46Å; C619-L632 HydrophobicContact CB-CD1 3.58Å; F626-L632 HydrophobicContact CD2-CB 4.32Å; F626-L632 HydrophobicContact CD2-CD1 4.25Å; H628-L632 PolarHBondContact O-N 3.26Å; K629-L632 WeakPolarHBondContact O-CB 3.34Å; K629-L632 PolarHBondContact O-N 2.88Å; K629-L632 VanDerWaalsContact O-N 3.16Å; H630-L632 VanDerWaalsContact C-N 3.32Å; H630-L632 PolarHBondContact O-N 3.45Å; L632-H635 PolarHBondContact O-N 2.93Å; L632-K636 HydrophobicContact CD1-CG 4.22Å; L632-K636 WeakPolarHBondContact O-CG 3.34Å; L632-K636 PolarHBondContact O-N 3.5Å
633	T	81	Confident	78	Confident	65 Å²	65	76.4 Å²	76.4	40%	0.399	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-45.9	175.4	-55.2	0	0	0	0	112	K629 H630 H635 K636 R637	K629-T633 PolarHBondContact O-N 3.18Å; K629-T633 PolarHBondContact O-OG1 3.38Å; H630-T633 WeakPolarHBondContact O-CB 3.01Å; H630-T633 PolarHBondContact O-N 2.92Å; H630-T633 VanDerWaalsContact O-N 3.17Å; T633-H635 VanDerWaalsContact C-N 3.28Å; T633-H635 PolarHBondContact O-N 3.45Å; T633-K636 PolarHBondContact O-N 3.47Å; T633-R637 PolarHBondContact O-N 2.86Å
634	E	79.3	Confident	78	Confident	47 Å²	47	71.3 Å²	71.3	22%	0.22	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-35.8	174.6	-71.7	164.3	167.1	0	0	112.1	H630 H631 H656	H630-E634 WeakPolarHBondContact O-CB 3.41Å; H630-E634 VanDerWaalsContact O-CG 3.31Å; H630-E634 WeakPolarHBondContact O-CG 3.24Å; H630-E634 PolarHBondContact O-N 3.39Å; H631-E634 IonicContact CE1-OE2 3.53Å; H631-E634 IonicContact ND1-OE2 2.79Å; H631-E634 PolarHBondContact ND1-OE2 2.8Å; E634-H656 IonicContact OE1-CD2 3.2Å; E634-H656 PolarHBondContact OE1-CD2 3.4Å; E634-H656 IonicContact OE1-NE2 3.94Å
635	H	82.8	Confident	77.8	Confident	17 Å²	17	68.2 Å²	68.2	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-71.4	-40.6	174.1	176.1	48.6	0	0	0	112.6	C619 C622 F626 H631 L632 T633 R637 L638 H639	C619-H635 VanDerWaalsContact SG-CD2 3.57Å; C622-H635 PolarHBondContact SG-NE2 3.12Å; C622-H635 VanDerWaalsContact SG-NE2 3.38Å; F626-H635 HydrophobicContact CE1-CB 4.2Å; F626-H635 HydrophobicContact CE2-CB 3.81Å; F626-H635 AromaticContact CE2-CD2 3.26Å; F626-H635 WeakPolarHBondContact CE2-CD2 3.34Å; F626-H635 AromaticContact CE2-CG 3.59Å; F626-H635 HydrophobicContact CZ-CB 3.55Å; F626-H635 AromaticContact CZ-CD2 3.55Å; F626-H635 AromaticContact CZ-CG 3.4Å; H631-H635 WeakPolarHBondContact O-CB 3.11Å; H631-H635 PolarHBondContact O-N 3.27Å; L632-H635 PolarHBondContact O-N 2.93Å; T633-H635 VanDerWaalsContact C-N 3.28Å; T633-H635 PolarHBondContact O-N 3.45Å; H635-R637 VanDerWaalsContact C-N 3.27Å; H635-R637 PolarHBondContact O-N 3.33Å; H635-L638 WeakPolarHBondContact O-CA 3.35Å; H635-L638 VanDerWaalsContact O-CB 3.24Å; H635-L638 WeakPolarHBondContact O-CB 3.3Å; H635-L638 PolarHBondContact O-N 3.17Å; H635-H639 AromaticContact CD2-NE2 3.96Å; H635-H639 AromaticContact CE1-CE1 3.88Å; H635-H639 AromaticContact CE1-NE2 3.26Å; H635-H639 PolarHBondContact CE1-NE2 3.02Å; H635-H639 VanDerWaalsContact CE1-NE2 3.26Å; H635-H639 AromaticContact NE2-CD2 3.92Å; H635-H639 AromaticContact NE2-NE2 3.09Å; H635-H639 PolarHBondContact NE2-NE2 3.16Å
636	K	81.1	Confident	77.6	Confident	88 Å²	88	70.1 Å²	70.1	38%	0.383	35%	0.349	S	S	.	.	H	α-helix	trans	-59.8	-35.4	175.9	-80	-169	172.6	-165.5	0	112.3	D620 L632 T633 L638 H639 S640	D620-K636 WeakPolarHBondContact OD2-CE 3.44Å; D620-K636 IonicContact OD2-NZ 3.63Å; D620-K636 PolarHBondContact OD2-NZ 3.39Å; L632-K636 HydrophobicContact CD1-CG 4.22Å; L632-K636 WeakPolarHBondContact O-CG 3.34Å; L632-K636 PolarHBondContact O-N 3.5Å; T633-K636 PolarHBondContact O-N 3.47Å; K636-L638 PolarHBondContact O-N 2.87Å; K636-H639 WeakPolarHBondContact O-CB 3.41Å; K636-H639 PolarHBondContact O-N 2.87Å; K636-S640 PolarHBondContact O-N 2.95Å; K636-S640 VanDerWaalsContact O-N 3.13Å
637	R	79.8	Confident	77.8	Confident	61 Å²	61	67.9 Å²	67.9	23%	0.23	34%	0.339	C	S	.	.	H	α-helix	trans	-62	-18.7	171	-69.5	179.9	-178.7	153.3	4.2	114.5	T633 H635 H639 G641 E642 S655	T633-R637 PolarHBondContact O-N 2.86Å; H635-R637 VanDerWaalsContact C-N 3.27Å; H635-R637 PolarHBondContact O-N 3.33Å; R637-H639 VanDerWaalsContact C-N 3.32Å; R637-G641 CarbonylContact O-C 3.55Å; R637-G641 WeakPolarHBondContact O-CA 3.4Å; R637-G641 PolarHBondContact O-N 2.61Å; R637-G641 VanDerWaalsContact O-N 3.16Å; R637-E642 HydrophobicContact CB-CB 4.4Å; R637-E642 HydrophobicContact CG-CB 4.21Å; R637-E642 PolarHBondContact O-N 2.77Å; R637-S655 WeakPolarHBondContact CD-O 3.37Å; R637-S655 PolarHBondContact NH1-O 2.74Å
638	L	76.3	Confident	77.9	Confident	110 Å²	110	70.5 Å²	70.5	58%	0.576	36%	0.357	S	S	*	.	H	α-helix	trans	-77.3	-20.8	172	-54.6	179.9	0	0	0	112.3	H635 K636	H635-L638 WeakPolarHBondContact O-CA 3.35Å; H635-L638 VanDerWaalsContact O-CB 3.24Å; H635-L638 WeakPolarHBondContact O-CB 3.3Å; H635-L638 PolarHBondContact O-N 3.17Å; K636-L638 PolarHBondContact O-N 2.87Å
639	H	78.9	Confident	77.8	Confident	76 Å²	76	75.2 Å²	75.2	35%	0.352	38%	0.376	S	S	.	.	H	α-helix	trans	-89.2	-45.3	175.5	-61.5	-64.2	0	0	0	111.8	V621 H635 K636 R637 G641	V621-H639 HydrophobicContact CB-CB 4.49Å; V621-H639 HydrophobicContact CG1-CB 4.21Å; H635-H639 AromaticContact CD2-NE2 3.96Å; H635-H639 AromaticContact CE1-CE1 3.88Å; H635-H639 AromaticContact CE1-NE2 3.26Å; H635-H639 PolarHBondContact CE1-NE2 3.02Å; H635-H639 VanDerWaalsContact CE1-NE2 3.26Å; H635-H639 AromaticContact NE2-CD2 3.92Å; H635-H639 AromaticContact NE2-NE2 3.09Å; H635-H639 PolarHBondContact NE2-NE2 3.16Å; K636-H639 WeakPolarHBondContact O-CB 3.41Å; K636-H639 PolarHBondContact O-N 2.87Å; R637-H639 VanDerWaalsContact C-N 3.32Å; H639-G641 PolarHBondContact O-N 2.79Å
640	S	71.7	Confident	77.7	Confident	69 Å²	69	68.7 Å²	68.7	48%	0.483	35%	0.349	S	S	.	.	S	Bend	trans	-75.6	-8	174.4	68.9	0	0	0	0	114	K636 E642	K636-S640 PolarHBondContact O-N 2.95Å; K636-S640 VanDerWaalsContact O-N 3.13Å; S640-E642 WeakPolarHBondContact CB-OE1 3.44Å; S640-E642 PolarHBondContact O-N 2.79Å; S640-E642 VanDerWaalsContact O-N 3.15Å; S640-E642 VanDerWaalsContact OG-CD 3.28Å; S640-E642 WeakPolarHBondContact OG-CG 3.3Å; S640-E642 PolarHBondContact OG-OE1 3.11Å
641	G	70.1	Confident	77.6	Confident	44 Å²	44	68.5 Å²	68.5	45%	0.454	35%	0.351	S	S	.	.			trans	72.9	-2.8	-178.6	0	0	0	0	0	115	R637 H639 K643	R637-G641 CarbonylContact O-C 3.55Å; R637-G641 WeakPolarHBondContact O-CA 3.4Å; R637-G641 PolarHBondContact O-N 2.61Å; R637-G641 VanDerWaalsContact O-N 3.16Å; H639-G641 PolarHBondContact O-N 2.79Å; G641-K643 PolarHBondContact O-N 3.36Å
642	E	71.6	Confident	77.5	Confident	105 Å²	105	69.6 Å²	69.6	49%	0.491	35%	0.354	S	S	.	.			trans	-53.9	127.2	-178.3	-83.4	167.4	-114.1	0	0	113.4	R637 S640	R637-E642 HydrophobicContact CB-CB 4.4Å; R637-E642 HydrophobicContact CG-CB 4.21Å; R637-E642 PolarHBondContact O-N 2.77Å; S640-E642 WeakPolarHBondContact CB-OE1 3.44Å; S640-E642 PolarHBondContact O-N 2.79Å; S640-E642 VanDerWaalsContact O-N 3.15Å; S640-E642 VanDerWaalsContact OG-CD 3.28Å; S640-E642 WeakPolarHBondContact OG-CG 3.3Å; S640-E642 PolarHBondContact OG-OE1 3.11Å
643	K	75.7	Confident	77.3	Confident	113 Å²	113	75.1 Å²	75.1	49%	0.491	37%	0.374	S	S	.	.			trans	-125.8	87.2	172.8	-64.1	157.9	-169.2	166.3	0	108.4	G641 R653 F654	G641-K643 PolarHBondContact O-N 3.36Å; K643-R653 HydrophobicContact CB-CB 3.46Å; K643-R653 VanDerWaalsContact CB-CB 3.46Å; K643-R653 HydrophobicContact CD-CB 4.14Å; K643-R653 HydrophobicContact CG-CB 4.36Å; K643-R653 PolarHBondContact O-NE 2.8Å; K643-R653 PolarHBondContact O-NH2 2.8Å; K643-F654 CarbonylContact C-O 3.33Å; K643-F654 WeakPolarHBondContact CA-O 3.44Å
644	P	77	Confident	77	Confident	59 Å²	59	74.3 Å²	74.3	38%	0.383	37%	0.365	S	S	.	.			trans	-69.1	-33.4	-175.9	-21	34.1	0	0	0	113	Q646	P644-Q646 PolarHBondContact O-N 2.76Å
645	F	74.8	Confident	76.9	Confident	56 Å²	56	73.5 Å²	73.5	25%	0.246	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	92.8	-171	-53.9	-77.4	0	0	0	110.7	R653 F654 Y660	F645-R653 CarbonylContact O-C 3.54Å; F645-R653 WeakPolarHBondContact O-CA 3.07Å; F645-F654 HydrophobicContact CB-CB 4.35Å; F645-F654 PolarHBondContact N-O 2.87Å; F645-F654 VanDerWaalsContact N-O 3.15Å; F645-F654 WeakPolarHBondContact O-CD2 3.22Å; F645-F654 PolarHBondContact O-N 3.5Å; F645-Y660 HydrophobicContact CB-CD1 4.35Å; F645-Y660 HydrophobicContact CB-CD2 3.77Å; F645-Y660 HydrophobicContact CB-CG 3.67Å; F645-Y660 HydrophobicContact CD1-CD1 4.37Å; F645-Y660 HydrophobicContact CD1-CG 4.49Å; F645-Y660 HydrophobicContact CG-CG 4.31Å
646	Q	78	Confident	76.5	Confident	68 Å²	68	76 Å²	76	32%	0.318	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	138.1	172.9	-174.1	161.2	-55.8	0	0	110.5	P644 R653 Y660	P644-Q646 PolarHBondContact O-N 2.76Å; Q646-R653 HydrophobicContact CB-CG 3.99Å; Q646-R653 HydrophobicContact CG-CG 3.93Å; Q646-R653 VanDerWaalsContact OE1-CD 3.24Å; Q646-Y660 VanDerWaalsContact O-CE2 3.31Å; Q646-Y660 WeakPolarHBondContact O-CE2 3.29Å
647	C	80.5	Confident	76.4	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.376	C	S	.	.			trans	-90.9	116.1	170	174	0	0	0	0	110.9	K649 C650 L651 K652 F654 Y660 H663 M664	C647-K649 PolarHBondContact O-N 2.89Å; C647-K649 VanDerWaalsContact O-N 3.14Å; C647-C650 PolarHBondContact O-N 2.77Å; C647-C650 VanDerWaalsContact O-N 3.17Å; C647-L651 WeakPolarHBondContact O-CA 3.21Å; C647-L651 PolarHBondContact O-N 3.17Å; C647-K652 PolarHBondContact N-O 2.9Å; C647-F654 HydrophobicContact CB-CE2 4.41Å; C647-Y660 HydrophobicContact CB-CE2 4.46Å; C647-H663 WeakPolarHBondContact CB-NE2 3.34Å; C647-H663 PolarHBondContact SG-NE2 3.35Å; C647-M664 HydrophobicContact CB-CE 4.05Å; C647-M664 VanDerWaalsContact SG-CE 3.53Å
648	D	77.1	Confident	76.3	Confident	121 Å²	121	73.1 Å²	73.1	65%	0.647	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-36.2	-177.7	-35.8	-57.9	0	0	0	112.4	C650	D648-C650 PolarHBondContact O-N 3.48Å
649	K	74.7	Confident	76.3	Confident	145 Å²	145	70.3 Å²	70.3	63%	0.63	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.4	-176.2	-69.2	-167.8	175.5	-165.4	0	115.7	C647 C671 P673	C647-K649 PolarHBondContact O-N 2.89Å; C647-K649 VanDerWaalsContact O-N 3.14Å; K649-C671 VanDerWaalsContact CB-SG 3.6Å; K649-P673 VanDerWaalsContact O-CA 3.31Å; K649-P673 WeakPolarHBondContact O-CA 2.97Å
650	C	79.3	Confident	76.4	Confident	7 Å²	7	69.4 Å²	69.4	5%	0.047	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-151.8	11.7	178.8	70.4	0	0	0	0	114.9	C647 D648 K652 H663 K672	C647-C650 PolarHBondContact O-N 2.77Å; C647-C650 VanDerWaalsContact O-N 3.17Å; D648-C650 PolarHBondContact O-N 3.48Å; C650-K652 PolarHBondContact O-N 3.35Å; C650-K652 VanDerWaalsContact SG-CD 3.55Å; C650-H663 PolarHBondContact SG-NE2 2.87Å; C650-K672 WeakPolarHBondContact CB-O 3.06Å
651	L	77.1	Confident	76.6	Confident	91 Å²	91	68.5 Å²	68.5	48%	0.476	36%	0.359	S	S	.	.			trans	53.3	8	-179.6	-47.4	-177	0	0	0	116.1	C647 R653 L674	C647-L651 WeakPolarHBondContact O-CA 3.21Å; C647-L651 PolarHBondContact O-N 3.17Å; L651-R653 WeakPolarHBondContact O-CG 3.31Å; L651-R653 PolarHBondContact O-N 3.43Å; L651-L674 HydrophobicContact CB-CD1 3.99Å; L651-L674 HydrophobicContact CD1-CD1 3.87Å; L651-L674 HydrophobicContact CG-CD1 3.97Å
652	K	77.4	Confident	76.9	Confident	99 Å²	99	71.9 Å²	71.9	43%	0.43	36%	0.363	S	S	.	.			trans	-64.3	124	175.6	-68.9	174.6	-166.7	164.2	0	109.8	C647 C650 F654 Y670	C647-K652 PolarHBondContact N-O 2.9Å; C650-K652 PolarHBondContact O-N 3.35Å; C650-K652 VanDerWaalsContact SG-CD 3.55Å; K652-F654 HydrophobicContact CB-CE2 3.8Å; K652-F654 HydrophobicContact CB-CZ 3.96Å; K652-F654 WeakPolarHBondContact O-CD2 3.29Å; K652-F654 VanDerWaalsContact O-CE2 3.26Å; K652-F654 WeakPolarHBondContact O-CE2 3.41Å; K652-Y670 PolarHBondContact NZ-O 3.05Å
653	R	79	Confident	77.3	Confident	137 Å²	137	67.2 Å²	67.2	52%	0.517	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.9	179.9	-51	-174.5	65.9	130.3	-12.6	111.3	K643 F645 Q646 L651	K643-R653 HydrophobicContact CB-CB 3.46Å; K643-R653 VanDerWaalsContact CB-CB 3.46Å; K643-R653 HydrophobicContact CD-CB 4.14Å; K643-R653 HydrophobicContact CG-CB 4.36Å; K643-R653 PolarHBondContact O-NE 2.8Å; K643-R653 PolarHBondContact O-NH2 2.8Å; F645-R653 CarbonylContact O-C 3.54Å; F645-R653 WeakPolarHBondContact O-CA 3.07Å; Q646-R653 HydrophobicContact CB-CG 3.99Å; Q646-R653 HydrophobicContact CG-CG 3.93Å; Q646-R653 VanDerWaalsContact OE1-CD 3.24Å; L651-R653 WeakPolarHBondContact O-CG 3.31Å; L651-R653 PolarHBondContact O-N 3.43Å
654	F	75.4	Confident	77.1	Confident	47 Å²	47	64 Å²	64	21%	0.206	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.6	-177.9	-55.5	-95.6	0	0	0	110.6	K643 F645 C647 K652 Y660 H663	K643-F654 CarbonylContact C-O 3.33Å; K643-F654 WeakPolarHBondContact CA-O 3.44Å; F645-F654 HydrophobicContact CB-CB 4.35Å; F645-F654 PolarHBondContact N-O 2.87Å; F645-F654 VanDerWaalsContact N-O 3.15Å; F645-F654 WeakPolarHBondContact O-CD2 3.22Å; F645-F654 PolarHBondContact O-N 3.5Å; C647-F654 HydrophobicContact CB-CE2 4.41Å; K652-F654 HydrophobicContact CB-CE2 3.8Å; K652-F654 HydrophobicContact CB-CZ 3.96Å; K652-F654 WeakPolarHBondContact O-CD2 3.29Å; K652-F654 VanDerWaalsContact O-CE2 3.26Å; K652-F654 WeakPolarHBondContact O-CE2 3.41Å; F654-Y660 HydrophobicContact CD2-CD2 4.26Å; F654-H663 HydrophobicContact CE1-CB 4.24Å; F654-H663 HydrophobicContact CE2-CB 4.2Å; F654-H663 AromaticContact CE2-CD2 3.28Å; F654-H663 WeakPolarHBondContact CE2-CD2 3.23Å; F654-H663 AromaticContact CE2-CG 3.89Å; F654-H663 HydrophobicContact CZ-CB 3.74Å; F654-H663 AromaticContact CZ-CD2 3.39Å; F654-H663 WeakPolarHBondContact CZ-CD2 3.26Å; F654-H663 AromaticContact CZ-CG 3.53Å
655	S	76.1	Confident	76.9	Confident	31 Å²	31	67.4 Å²	67.4	22%	0.217	34%	0.343	C	S	.	.	S	Bend	trans	-87.1	-20.1	179.2	50.7	0	0	0	0	114.1	R637	R637-S655 WeakPolarHBondContact CD-O 3.37Å; R637-S655 PolarHBondContact NH1-O 2.74Å
656	H	75.2	Confident	76.5	Confident	70 Å²	70	68.6 Å²	68.6	32%	0.324	35%	0.349	S	S	.	.	S	Bend	trans	-126.6	133.6	-175.7	165.9	-133.2	0	0	0	111.6	E634 G658 S659 Y660	E634-H656 IonicContact OE1-CD2 3.2Å; E634-H656 PolarHBondContact OE1-CD2 3.4Å; E634-H656 IonicContact OE1-NE2 3.94Å; H656-G658 PolarHBondContact CD2-N 2.81Å; H656-G658 VanDerWaalsContact CE1-CA 3.48Å; H656-G658 WeakPolarHBondContact CE1-CA 3.38Å; H656-G658 PolarHBondContact CE1-N 2.78Å; H656-G658 PolarHBondContact NE2-N 3.47Å; H656-G658 VanDerWaalsContact NE2-N 3.13Å; H656-G658 PolarHBondContact O-N 2.91Å; H656-S659 PolarHBondContact O-N 2.97Å; H656-Y660 PolarHBondContact O-N 3.37Å
657	S	78.6	Confident	75.5	Confident	53 Å²	53	74.1 Å²	74.1	37%	0.371	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-38.8	-178.3	178.2	0	0	0	0	113.3	S659 Y660 S661	S657-S659 VanDerWaalsContact C-N 3.29Å; S657-S659 PolarHBondContact O-N 3.24Å; S657-Y660 PolarHBondContact O-N 2.81Å; S657-S661 WeakPolarHBondContact O-CB 3.49Å; S657-S661 PolarHBondContact O-N 3.1Å; S657-S661 PolarHBondContact O-OG 3.36Å; S657-S661 VanDerWaalsContact O-OG 3.13Å
658	G	77.5	Confident	74.3	Confident	34 Å²	34	84.4 Å²	84.4	35%	0.351	41%	0.408	S	S	.	.	H	α-helix	trans	-61.7	-35.6	177.7	0	0	0	0	0	113.1	H656 Q662	H656-G658 PolarHBondContact CD2-N 2.81Å; H656-G658 VanDerWaalsContact CE1-CA 3.48Å; H656-G658 WeakPolarHBondContact CE1-CA 3.38Å; H656-G658 PolarHBondContact CE1-N 2.78Å; H656-G658 PolarHBondContact NE2-N 3.47Å; H656-G658 VanDerWaalsContact NE2-N 3.13Å; H656-G658 PolarHBondContact O-N 2.91Å; G658-Q662 VanDerWaalsContact O-CB 3.25Å; G658-Q662 WeakPolarHBondContact O-CB 3.2Å; G658-Q662 PolarHBondContact O-N 3.31Å
659	S	77	Confident	73.4	Confident	52 Å²	52	83.2 Å²	83.2	36%	0.364	41%	0.409	S	S	.	.	H	α-helix	trans	-72.7	-36.9	176	-57.9	0	0	0	0	112.5	H656 S657 H663	H656-S659 PolarHBondContact O-N 2.97Å; S657-S659 VanDerWaalsContact C-N 3.29Å; S657-S659 PolarHBondContact O-N 3.24Å; S659-H663 WeakPolarHBondContact O-CB 3.18Å; S659-H663 PolarHBondContact O-N 2.93Å
660	Y	79.9	Confident	72.6	Confident	57 Å²	57	81.2 Å²	81.2	22%	0.224	40%	0.398	C	S	.	.	H	α-helix	trans	-65.1	-49.8	172.5	169.5	-102.2	0	0	0	111.7	F645 Q646 C647 F654 H656 S657 Q662 H663 M664	F645-Y660 HydrophobicContact CB-CD1 4.35Å; F645-Y660 HydrophobicContact CB-CD2 3.77Å; F645-Y660 HydrophobicContact CB-CG 3.67Å; F645-Y660 HydrophobicContact CD1-CD1 4.37Å; F645-Y660 HydrophobicContact CD1-CG 4.49Å; F645-Y660 HydrophobicContact CG-CG 4.31Å; Q646-Y660 VanDerWaalsContact O-CE2 3.31Å; Q646-Y660 WeakPolarHBondContact O-CE2 3.29Å; C647-Y660 HydrophobicContact CB-CE2 4.46Å; F654-Y660 HydrophobicContact CD2-CD2 4.26Å; H656-Y660 PolarHBondContact O-N 3.37Å; S657-Y660 PolarHBondContact O-N 2.81Å; Y660-Q662 VanDerWaalsContact C-N 3.35Å; Y660-Q662 PolarHBondContact O-N 3.09Å; Y660-H663 WeakPolarHBondContact O-CB 3.19Å; Y660-H663 PolarHBondContact O-N 2.8Å; Y660-H663 VanDerWaalsContact O-N 3.12Å; Y660-M664 HydrophobicContact CD2-CG 4.38Å; Y660-M664 HydrophobicContact CE1-CG 4.22Å; Y660-M664 HydrophobicContact CE2-CE 3.73Å; Y660-M664 HydrophobicContact CE2-CG 3.92Å; Y660-M664 PolarHBondContact O-N 2.85Å; Y660-M664 WeakPolarHBondContact OH-CE 3.31Å
661	S	76.6	Confident	71.8	Confident	50 Å²	50	82.4 Å²	82.4	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-62.2	-39.5	177.2	-64.4	0	0	0	0	112	S657 M664 N665	S657-S661 WeakPolarHBondContact O-CB 3.49Å; S657-S661 PolarHBondContact O-N 3.1Å; S657-S661 PolarHBondContact O-OG 3.36Å; S657-S661 VanDerWaalsContact O-OG 3.13Å; S661-M664 PolarHBondContact O-N 2.84Å; S661-N665 VanDerWaalsContact O-CB 3.25Å; S661-N665 WeakPolarHBondContact O-CB 3.48Å; S661-N665 PolarHBondContact O-N 3.32Å; S661-N665 PolarHBondContact O-ND2 3.37Å
662	Q	76.3	Confident	70.9	Confident	115 Å²	115	86.4 Å²	86.4	54%	0.537	42%	0.42	S	S	.	.	H	α-helix	trans	-61.4	-46.1	171.8	179.3	170.3	26.3	0	0	111.3	G658 Y660 M664 N665 H666	G658-Q662 VanDerWaalsContact O-CB 3.25Å; G658-Q662 WeakPolarHBondContact O-CB 3.2Å; G658-Q662 PolarHBondContact O-N 3.31Å; Y660-Q662 VanDerWaalsContact C-N 3.35Å; Y660-Q662 PolarHBondContact O-N 3.09Å; Q662-M664 PolarHBondContact O-N 3.23Å; Q662-N665 PolarHBondContact O-N 2.99Å; Q662-H666 PolarHBondContact O-CD2 3.19Å; Q662-H666 PolarHBondContact O-N 3.45Å
663	H	79.8	Confident	69.8	Low	6 Å²	6	86.2 Å²	86.2	3%	0.028	43%	0.429	C	S	.	.	H	α-helix	trans	-62.2	-41.5	177.3	170.6	50.3	0	0	0	113.1	C647 C650 F654 S659 Y660 Y670 C671	C647-H663 WeakPolarHBondContact CB-NE2 3.34Å; C647-H663 PolarHBondContact SG-NE2 3.35Å; C650-H663 PolarHBondContact SG-NE2 2.87Å; F654-H663 HydrophobicContact CE1-CB 4.24Å; F654-H663 HydrophobicContact CE2-CB 4.2Å; F654-H663 AromaticContact CE2-CD2 3.28Å; F654-H663 WeakPolarHBondContact CE2-CD2 3.23Å; F654-H663 AromaticContact CE2-CG 3.89Å; F654-H663 HydrophobicContact CZ-CB 3.74Å; F654-H663 AromaticContact CZ-CD2 3.39Å; F654-H663 WeakPolarHBondContact CZ-CD2 3.26Å; F654-H663 AromaticContact CZ-CG 3.53Å; S659-H663 WeakPolarHBondContact O-CB 3.18Å; S659-H663 PolarHBondContact O-N 2.93Å; Y660-H663 WeakPolarHBondContact O-CB 3.19Å; Y660-H663 PolarHBondContact O-N 2.8Å; Y660-H663 VanDerWaalsContact O-N 3.12Å; H663-Y670 AromaticContact ND1-CD2 3.97Å; H663-Y670 AromaticContact ND1-CE2 3.37Å; H663-Y670 WeakPolarHBondContact ND1-CE2 3.26Å; H663-C671 VanDerWaalsContact CE1-SG 3.53Å
664	M	71.2	Confident	68.4	Low	45 Å²	45	85.4 Å²	85.4	22%	0.222	43%	0.434	C	S	.	.	H	α-helix	trans	-70.1	-32.4	175.8	-77.5	-61.3	-161.4	0	0	113.1	C647 Y660 S661 Q662 R667	C647-M664 HydrophobicContact CB-CE 4.05Å; C647-M664 VanDerWaalsContact SG-CE 3.53Å; Y660-M664 HydrophobicContact CD2-CG 4.38Å; Y660-M664 HydrophobicContact CE1-CG 4.22Å; Y660-M664 HydrophobicContact CE2-CE 3.73Å; Y660-M664 HydrophobicContact CE2-CG 3.92Å; Y660-M664 PolarHBondContact O-N 2.85Å; Y660-M664 WeakPolarHBondContact OH-CE 3.31Å; S661-M664 PolarHBondContact O-N 2.84Å; Q662-M664 PolarHBondContact O-N 3.23Å; M664-R667 WeakPolarHBondContact O-CG 3.3Å
665	N	72.2	Confident	67.3	Low	131 Å²	131	92.1 Å²	92.1	70%	0.701	47%	0.466	S	S	*	.	H	α-helix	trans	-75.4	-28.4	176.6	-73.5	-15.5	0	0	0	112.7	S661 Q662 R667	S661-N665 VanDerWaalsContact O-CB 3.25Å; S661-N665 WeakPolarHBondContact O-CB 3.48Å; S661-N665 PolarHBondContact O-N 3.32Å; S661-N665 PolarHBondContact O-ND2 3.37Å; Q662-N665 PolarHBondContact O-N 2.99Å; N665-R667 PolarHBondContact O-N 3.39Å
666	H	67.4	Low	65.4	Low	82 Å²	82	101.6 Å²	101.6	38%	0.38	51%	0.514	S	S	.	.			trans	-75.9	55	168.9	-72	-64.1	0	0	0	112.1	Q662 Y668 Y670	Q662-H666 PolarHBondContact O-CD2 3.19Å; Q662-H666 PolarHBondContact O-N 3.45Å; H666-Y668 PolarHBondContact O-N 2.83Å; H666-Y670 HydrophobicContact CB-CD1 4.49Å; H666-Y670 HydrophobicContact CB-CE1 3.56Å; H666-Y670 PolarHBondContact CD2-OH 3.02Å; H666-Y670 AromaticContact CG-CE1 3.86Å
667	R	56.6	Low	64.9	Low	183 Å²	183	103.2 Å²	103.2	69%	0.691	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-15	-169.7	-76.8	-167	164.5	-173.5	-5.2	116.5	M664 N665	M664-R667 WeakPolarHBondContact O-CG 3.3Å; N665-R667 PolarHBondContact O-N 3.39Å
668	Y	55.1	Low	64.2	Low	216 Å²	216	105.8 Å²	105.8	85%	0.847	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.7	26.6	-164.5	-66.5	-71.3	0	0	0	117.3	H666	H666-Y668 PolarHBondContact O-N 2.83Å
669	S	58.7	Low	63.4	Low	96 Å²	96	109.8 Å²	109.8	67%	0.671	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.1	-15.4	176.1	68.3	0	0	0	0	120.2
670	Y	59	Low	62.6	Low	103 Å²	103	113.2 Å²	113.2	40%	0.404	55%	0.552	S	S	.	*	S	Bend	trans	-150.4	11	176.8	60.4	-92.1	0	0	0	115.6	K652 H663 H666	K652-Y670 PolarHBondContact NZ-O 3.05Å; H663-Y670 AromaticContact ND1-CD2 3.97Å; H663-Y670 AromaticContact ND1-CE2 3.37Å; H663-Y670 WeakPolarHBondContact ND1-CE2 3.26Å; H666-Y670 HydrophobicContact CB-CD1 4.49Å; H666-Y670 HydrophobicContact CB-CE1 3.56Å; H666-Y670 PolarHBondContact CD2-OH 3.02Å; H666-Y670 AromaticContact CG-CE1 3.86Å
671	C	61.7	Low	61.6	Low	32 Å²	32	116.8 Å²	116.8	22%	0.216	57%	0.573	C	S	.	*			trans	-98.2	72	171.3	-160.8	0	0	0	0	109.4	K649 H663	K649-C671 VanDerWaalsContact CB-SG 3.6Å; H663-C671 VanDerWaalsContact CE1-SG 3.53Å
672	K	57.9	Low	60.6	Low	176 Å²	176	121.2 Å²	121.2	77%	0.765	59%	0.588	S	S	*	*			trans	-74.9	140.3	167.3	-77.1	-162	172.2	-163	0	109.2	C650	C650-K672 WeakPolarHBondContact CB-O 3.06Å
673	P	55.4	Low	59.4	Low	95 Å²	95	121.6 Å²	121.6	62%	0.617	59%	0.591	S	S	*	*			trans	-51.1	146.8	162	-25.6	35.6	0	0	0	111.7	K649 Q675	K649-P673 VanDerWaalsContact O-CA 3.31Å; K649-P673 WeakPolarHBondContact O-CA 2.97Å; P673-Q675 PolarHBondContact O-N 3.18Å
674	L	49.6	Very low	57.9	Low	119 Å²	119	130.5 Å²	130.5	62%	0.623	64%	0.635	S	S	*	*			trans	-75	105.2	152.6	-75.7	162.5	0	0	0	105.9	L651	L651-L674 HydrophobicContact CB-CD1 3.99Å; L651-L674 HydrophobicContact CD1-CD1 3.87Å; L651-L674 HydrophobicContact CG-CD1 3.97Å
675	Q	50.7	Low	56.7	Low	188 Å²	188	137.7 Å²	137.7	88%	0.879	67%	0.669	S	S	*	*			trans	-72.9	129.9	153.6	-69.5	176.2	-82	0	0	105.9	P673	P673-Q675 PolarHBondContact O-N 3.18Å
676	N	36.7	Very low	55.3	Low	231 Å²	231	138.3 Å²	138.3	100%	1.235	67%	0.666	S	S	*	*			trans	-92.2	0	178.9	-162.1	84.5	0	0	0	109.6

Retrieved 676 of 676 residues in 182.1 ms (Link to these results)

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